A0A087XCJ7_POEFO Loading...

Kelch domain-containing protein 10

AlphaFold DB , UniProt , Accession A0A087XCJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	38.4	Very low	247 Å²	247	123.1 Å²	123.1	100%	1.217	73%	0.728	S	S	*	*				0	93	0	-102.6	160.4	149.5	0	0	105.9
2	S	32.5	Very low	40.3	Very low	107 Å²	107	119 Å²	119	75%	0.748	70%	0.696	S	S	*	*			trans	-114.8	117	178.5	49.6	0	0	0	0	106.4	V4	S2-V4 PolarHBondContact O-N 3.4Å
3	D	30.3	Very low	43.3	Very low	160 Å²	160	113.5 Å²	113.5	86%	0.856	66%	0.661	S	S	*	*			trans	-57.6	114.6	-177.6	-67	-49.5	0	0	0	110.6	E5	D3-E5 PolarHBondContact O-N 3.27Å
4	V	36.2	Very low	45.9	Very low	137 Å²	137	108.8 Å²	108.8	83%	0.83	63%	0.632	S	S	*	*			trans	-85.5	99.3	162.7	178.7	0	0	0	0	104.8	S2 G6	S2-V4 PolarHBondContact O-N 3.4Å; V4-G6 PolarHBondContact O-N 3.05Å
5	E	35.3	Very low	49	Very low	185 Å²	185	110.9 Å²	110.9	86%	0.864	63%	0.631	S	S	*	*			trans	-57.3	106.3	167.4	-77.6	-175.5	160.5	0	0	108.4	D3 A7	D3-E5 PolarHBondContact O-N 3.27Å; E5-A7 PolarHBondContact O-N 3.44Å; E5-A7 VanDerWaalsContact O-N 3.14Å
6	G	33.6	Very low	51.8	Low	69 Å²	69	105.4 Å²	105.4	71%	0.711	60%	0.598	S	S	*	*			trans	-67.1	106.8	168.7	0	0	0	0	0	108.2	V4 D8	V4-G6 PolarHBondContact O-N 3.05Å; G6-D8 PolarHBondContact O-N 3.46Å; G6-D8 VanDerWaalsContact O-N 3.14Å
7	A	36.5	Very low	54.4	Low	76 Å²	76	105.1 Å²	105.1	63%	0.628	59%	0.59	S	S	*	*			trans	-58.6	117.5	167.1	0	0	0	0	0	108.3	E5 S9	E5-A7 PolarHBondContact O-N 3.44Å; E5-A7 VanDerWaalsContact O-N 3.14Å; A7-S9 PolarHBondContact O-N 2.87Å
8	D	41	Very low	56.7	Low	87 Å²	87	105.9 Å²	105.9	47%	0.465	59%	0.586	S	S	.	*			trans	-61.4	118.8	179.2	-176.1	3.3	0	0	0	109.5	G6 S10 E11	G6-D8 PolarHBondContact O-N 3.46Å; G6-D8 VanDerWaalsContact O-N 3.14Å; D8-S10 PolarHBondContact O-N 3.28Å; D8-S10 WeakPolarHBondContact OD1-CB 3.04Å; D8-S10 PolarHBondContact OD1-N 3.4Å; D8-S10 PolarHBondContact OD1-OG 3.46Å; D8-S10 PolarHBondContact OD2-OG 3.28Å; D8-E11 HydrophobicContact CB-CG 4.36Å; D8-E11 PolarHBondContact O-N 2.98Å
9	S	46.2	Very low	58.6	Low	83 Å²	83	101.6 Å²	101.6	58%	0.58	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-58.7	-15.7	177.4	56.1	0	0	0	0	113.4	A7 E11	A7-S9 PolarHBondContact O-N 2.87Å; S9-E11 VanDerWaalsContact C-N 3.33Å
10	S	45.5	Very low	59.8	Low	67 Å²	67	102.3 Å²	102.3	47%	0.469	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-70.1	-24.1	174.5	85.4	0	0	0	0	113.6	D8 Q12	D8-S10 PolarHBondContact O-N 3.28Å; D8-S10 WeakPolarHBondContact OD1-CB 3.04Å; D8-S10 PolarHBondContact OD1-N 3.4Å; D8-S10 PolarHBondContact OD1-OG 3.46Å; D8-S10 PolarHBondContact OD2-OG 3.28Å; S10-Q12 VanDerWaalsContact C-N 3.31Å; S10-Q12 PolarHBondContact O-N 3.11Å
11	E	53.1	Low	60.3	Low	136 Å²	136	98.8 Å²	98.8	64%	0.636	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-75	-13.6	-175.2	-70.6	-168.6	159.8	0	0	114.7	D8 S9	D8-E11 HydrophobicContact CB-CG 4.36Å; D8-E11 PolarHBondContact O-N 2.98Å; S9-E11 VanDerWaalsContact C-N 3.33Å
12	Q	61	Low	62	Low	74 Å²	74	93.4 Å²	93.4	35%	0.346	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-94.1	-16.3	-177.6	-65.9	-167.6	-17.4	0	0	114	S10	S10-Q12 VanDerWaalsContact C-N 3.31Å; S10-Q12 PolarHBondContact O-N 3.11Å
13	L	79.6	Confident	63.4	Low	47 Å²	47	91.7 Å²	91.7	25%	0.246	51%	0.509	C	S	.	.	B	Isolated β-bridge	trans	-74.4	142.4	177.3	-75.5	163	0	0	0	110.2	K15 W345 V348	L13-K15 PolarHBondContact O-N 3.16Å; L13-K15 VanDerWaalsContact O-N 3.16Å; L13-W345 HydrophobicContact CD2-CB 4.31Å; L13-V348 HydrophobicContact CD1-CG2 3.99Å; L13-V348 HydrophobicContact CD2-CG2 4.49Å
14	N	79.6	Confident	64.8	Low	48 Å²	48	87.4 Å²	87.4	26%	0.257	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	30.2	175.5	-54.5	-56.8	0	0	0	114.2	P303 A304 W345	N14-P303 HydrophobicContact CB-CG 3.89Å; N14-A304 HydrophobicContact CB-CB 4.23Å; N14-A304 WeakPolarHBondContact O-CB 3.2Å; N14-W345 PolarHBondContact N-O 2.88Å
15	K	91.5	Very high	65.8	Low	141 Å²	141	89.5 Å²	89.5	61%	0.613	48%	0.483	S	S	*	.			trans	-125.6	127.1	175.4	-168.9	176.5	-178	175.6	0	110.3	L13	L13-K15 PolarHBondContact O-N 3.16Å; L13-K15 VanDerWaalsContact O-N 3.16Å
16	F	95	Very high	66.7	Low	22 Å²	22	83.4 Å²	83.4	10%	0.096	47%	0.47	C	S	.	.			trans	-75.2	128.9	173.4	-76.4	-76.5	0	0	0	110.8	A304 E305 M306 P307 M323 I325 F342 K343 I344	F16-A304 HydrophobicContact CD2-CB 4.2Å; F16-A304 HydrophobicContact CE2-CB 3.97Å; F16-E305 WeakPolarHBondContact CD2-O 3.33Å; F16-M306 HydrophobicContact CE1-CG 4.45Å; F16-M306 HydrophobicContact CE2-CG 4.02Å; F16-M306 HydrophobicContact CZ-CG 3.83Å; F16-P307 HydrophobicContact CB-CG 3.66Å; F16-P307 HydrophobicContact CG-CG 4.39Å; F16-M323 HydrophobicContact CE1-CE 4.27Å; F16-M323 HydrophobicContact CZ-CE 4.31Å; F16-I325 HydrophobicContact CD1-CD1 4.47Å; F16-I325 HydrophobicContact CE1-CD1 3.42Å; F16-I325 VanDerWaalsContact CE1-CD1 3.42Å; F16-I325 HydrophobicContact CE1-CG1 4.32Å; F16-I325 HydrophobicContact CZ-CD1 3.83Å; F16-F342 HydrophobicContact CD1-CB 4.07Å; F16-K343 WeakPolarHBondContact CA-O 3.45Å; F16-I344 HydrophobicContact CD1-CB 3.83Å; F16-I344 HydrophobicContact CD1-CD1 4.24Å; F16-I344 HydrophobicContact CD1-CG2 3.96Å; F16-I344 HydrophobicContact CD2-CD1 3.9Å; F16-I344 HydrophobicContact CE1-CB 3.88Å; F16-I344 HydrophobicContact CE1-CD1 4.12Å; F16-I344 HydrophobicContact CE1-CG2 3.49Å; F16-I344 VanDerWaalsContact CE1-CG2 3.49Å; F16-I344 HydrophobicContact CE2-CD1 3.8Å; F16-I344 HydrophobicContact CG-CB 4.38Å; F16-I344 HydrophobicContact CG-CD1 4.14Å; F16-I344 HydrophobicContact CZ-CD1 3.92Å; F16-I344 HydrophobicContact CZ-CG2 4.07Å
17	E	95.3	Very high	67.3	Low	100 Å²	100	86.3 Å²	86.3	47%	0.467	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.4	170.6	-177	-177.1	167.2	0	0	109	L19 F342 K343	E17-L19 HydrophobicContact CG-CD2 4.27Å; E17-F342 CarbonylContact O-C 3.54Å; E17-F342 VanDerWaalsContact O-CA 3.24Å; E17-F342 WeakPolarHBondContact O-CA 3.4Å; E17-K343 HydrophobicContact CB-CG 4.08Å; E17-K343 PolarHBondContact N-O 3.46Å; E17-K343 PolarHBondContact O-N 3.48Å; E17-K343 WeakPolarHBondContact OE2-CE 3.44Å; E17-K343 IonicContact OE2-NZ 2.72Å
18	K	95.5	Very high	67.8	Low	121 Å²	121	90.1 Å²	90.1	53%	0.526	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.9	172.6	-167.8	169.4	-173	163.2	0	109.6	S340 F342	K18-S340 WeakPolarHBondContact CE-OG 3.16Å; K18-S340 PolarHBondContact NZ-OG 3.19Å; K18-S340 VanDerWaalsContact NZ-OG 3.1Å; K18-F342 HydrophobicContact CB-CD1 3.76Å; K18-F342 HydrophobicContact CB-CE1 3.58Å; K18-F342 HydrophobicContact CD-CE1 3.86Å; K18-F342 HydrophobicContact CD-CZ 4.06Å; K18-F342 HydrophobicContact CG-CD1 4.04Å; K18-F342 HydrophobicContact CG-CE1 3.64Å; K18-F342 HydrophobicContact CG-CZ 4.15Å
19	L	93.3	Very high	68.2	Low	23 Å²	23	92.4 Å²	92.4	12%	0.12	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.5	178	-60.1	-179	0	0	0	109.8	E17 Y80 Y324 L341 K343	E17-L19 HydrophobicContact CG-CD2 4.27Å; L19-Y80 HydrophobicContact CD1-CE1 3.95Å; L19-Y324 HydrophobicContact CD1-CD1 3.93Å; L19-Y324 HydrophobicContact CD1-CE1 3.58Å; L19-L341 HydrophobicContact CB-CB 4.33Å; L19-L341 HydrophobicContact CB-CD2 3.96Å; L19-L341 HydrophobicContact CB-CG 4.1Å; L19-L341 HydrophobicContact CD1-CD2 3.78Å; L19-L341 HydrophobicContact CD1-CG 4.05Å; L19-L341 HydrophobicContact CG-CD2 4.48Å; L19-L341 PolarHBondContact N-O 3.09Å; L19-K343 HydrophobicContact CD1-CB 4.01Å; L19-K343 HydrophobicContact CD1-CD 4.22Å; L19-K343 HydrophobicContact CD1-CG 4.09Å; L19-K343 HydrophobicContact CD2-CD 4.21Å; L19-K343 HydrophobicContact CD2-CG 4.16Å; L19-K343 HydrophobicContact CG-CG 4.26Å
20	T	81.7	Confident	68.5	Low	115 Å²	115	93.8 Å²	93.8	71%	0.706	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-94.9	125.5	168.8	53	0	0	0	0	108.7	R22	T20-R22 PolarHBondContact O-N 3.15Å
21	G	70.6	Confident	69.2	Low	30 Å²	30	93.2 Å²	93.2	31%	0.309	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-61.2	119.6	175.8	0	0	0	0	0	110.2
22	R	69.2	Low	69.7	Low	134 Å²	134	89.6 Å²	89.6	51%	0.506	50%	0.504	S	S	.	.	B	Isolated β-bridge	trans	-71.6	139.2	169.4	-67	-178.5	-178.5	175.4	0.5	108.6	T20 G85 C86	T20-R22 PolarHBondContact O-N 3.15Å; R22-G85 PolarHBondContact N-O 2.92Å; R22-C86 PolarHBondContact O-SG 2.85Å; R22-C86 VanDerWaalsContact O-SG 3.38Å
23	P	60.5	Low	70.6	Confident	71 Å²	71	92.2 Å²	92.2	46%	0.461	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-63.8	139.8	175.5	26.7	-32.8	0	0	0	109.9
24	P	60.5	Low	71.1	Confident	70 Å²	70	92.9 Å²	92.9	46%	0.455	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-59.8	142.8	173.1	22.8	-30.5	0	0	0	110.5
25	R	57.1	Low	71.8	Confident	181 Å²	181	90.8 Å²	90.8	68%	0.683	51%	0.505	S	S	*	.	S	Bend	trans	-83.9	114.7	176.2	-66.3	-176.4	179.4	-170.6	-1.1	108.9
26	G	55.3	Low	71.9	Confident	57 Å²	57	84.6 Å²	84.6	59%	0.588	48%	0.48	S	S	*	.	S	Bend	trans	155.6	173.6	-179.5	0	0	0	0	0	112.6	M28	G26-M28 PolarHBondContact O-N 3.23Å
27	P	45.7	Very low	71.9	Confident	130 Å²	130	84.9 Å²	84.9	84%	0.844	49%	0.486	S	S	*	.	S	Bend	trans	-57.4	135.3	176.5	22.4	-30.4	0	0	0	110.6	L29	P27-L29 PolarHBondContact O-N 3.37Å
28	M	46.8	Very low	72	Confident	155 Å²	155	80.1 Å²	80.1	76%	0.764	46%	0.464	S	S	*	.			trans	-64.3	107.4	-177.7	-73.2	178	53.5	0	0	110	G26 R33	G26-M28 PolarHBondContact O-N 3.23Å; M28-R33 PolarHBondContact SD-NH2 2.89Å; M28-R33 VanDerWaalsContact SD-NH2 3.4Å
29	L	49.3	Very low	72.1	Confident	136 Å²	136	74.4 Å²	74.4	71%	0.712	44%	0.439	S	S	*	.			trans	-71.2	136.6	158.7	-67.5	171.1	0	0	0	107.7	P27 G31	P27-L29 PolarHBondContact O-N 3.37Å; L29-G31 PolarHBondContact O-N 3.5Å
30	A	53	Low	72.3	Confident	111 Å²	111	73.5 Å²	73.5	92%	0.917	44%	0.436	S	S	*	.	S	Bend	trans	-62.5	130.4	171.8	0	0	0	0	0	109.6
31	G	59.1	Low	73.1	Confident	56 Å²	56	68.2 Å²	68.2	58%	0.577	40%	0.403	S	S	*	.	S	Bend	trans	143	168.2	179.2	0	0	0	0	0	114	L29	L29-G31 PolarHBondContact O-N 3.5Å
32	P	63.6	Low	74.4	Confident	59 Å²	59	69.2 Å²	69.2	38%	0.383	40%	0.397	S	S	.	.			trans	-62.5	144.8	177.7	23.3	-30.9	0	0	0	111.4	W78	P32-W78 HydrophobicContact CG-CH2 4.36Å; P32-W78 HydrophobicContact CG-CZ2 4.21Å; P32-W78 WeakPolarHBondContact O-CH2 3.25Å
33	R	80.5	Confident	75.8	Confident	129 Å²	129	63.1 Å²	63.1	49%	0.487	38%	0.376	S	S	.	.	S	Bend	trans	-90	-13	-179.6	-67.3	-175.2	177.5	-171.8	-1.6	113.4	M28 W87	M28-R33 PolarHBondContact SD-NH2 2.89Å; M28-R33 VanDerWaalsContact SD-NH2 3.4Å; R33-W87 WeakPolarHBondContact O-CB 3.42Å
34	T	90.6	Very high	77.6	Confident	62 Å²	62	60.5 Å²	60.5	38%	0.38	36%	0.358	S	S	.	.	S	Bend	trans	-140.9	153.8	-177.8	55.6	0	0	0	0	108.2	P36 W87	T34-P36 WeakPolarHBondContact O-CD 3.42Å; T34-W87 HydrophobicContact CG2-CB 4.38Å; T34-W87 HydrophobicContact CG2-CG 4.2Å
35	P	93.6	Very high	79.3	Confident	3 Å²	3	58 Å²	58	2%	0.019	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-55.6	134	172.5	23.3	-33.6	0	0	0	110.5	W78 W87 H326	P35-W78 HydrophobicContact CB-CB 4.33Å; P35-W78 HydrophobicContact CB-CD2 3.9Å; P35-W78 HydrophobicContact CB-CG 3.75Å; P35-W78 HydrophobicContact CG-CD2 4.41Å; P35-W78 HydrophobicContact CG-CG 4.34Å; P35-W87 HydrophobicContact CG-CD2 4.02Å; P35-W87 HydrophobicContact CG-CE3 3.94Å; P35-W87 HydrophobicContact CG-CH2 3.96Å; P35-W87 HydrophobicContact CG-CZ2 4Å; P35-W87 HydrophobicContact CG-CZ3 3.92Å; P35-H326 WeakPolarHBondContact CG-NE2 3.37Å
36	P	93.1	Very high	81.1	Confident	11 Å²	11	51 Å²	51	7%	0.071	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-53.3	153.7	169.3	-31.5	33	0	0	0	113.2	T34 R38 Y60 F74	T34-P36 WeakPolarHBondContact O-CD 3.42Å; P36-R38 VanDerWaalsContact CD-NH2 3.27Å; P36-R38 PolarHBondContact O-N 3.28Å; P36-R38 PolarHBondContact O-NE 3.16Å; P36-Y60 HydrophobicContact CB-CD1 4.2Å; P36-Y60 HydrophobicContact CB-CD2 3.95Å; P36-Y60 HydrophobicContact CB-CE1 4.01Å; P36-Y60 HydrophobicContact CB-CE2 3.79Å; P36-Y60 HydrophobicContact CB-CG 4.17Å; P36-Y60 HydrophobicContact CG-CD1 4.25Å; P36-Y60 HydrophobicContact CG-CD2 4.45Å; P36-Y60 HydrophobicContact CG-CE1 3.59Å; P36-Y60 HydrophobicContact CG-CE2 3.87Å; P36-F74 HydrophobicContact CB-CE1 3.75Å; P36-F74 HydrophobicContact CB-CZ 3.69Å; P36-F74 HydrophobicContact CG-CE1 3.96Å; P36-F74 HydrophobicContact CG-CZ 4.41Å
37	A	95.6	Very high	82.8	Confident	29 Å²	29	51.7 Å²	51.7	24%	0.24	31%	0.31	C	S	.	.	S	Bend	trans	-54.5	131.9	171.7	0	0	0	0	0	110.1	N57 R337 T338	A37-N57 VanDerWaalsContact O-CB 3.26Å; A37-N57 WeakPolarHBondContact O-CB 3.35Å; A37-N57 PolarHBondContact O-ND2 3.23Å; A37-R337 HydrophobicContact CB-CB 4.11Å; A37-T338 VanDerWaalsContact CA-O 3.32Å; A37-T338 WeakPolarHBondContact CA-O 3.39Å; A37-T338 VanDerWaalsContact CB-C 3.44Å
38	R	97.3	Very high	85.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.274	C	S	.	.			trans	-157.8	153.4	-169.4	63.3	-177.9	70.1	-156.9	-2.4	112	P36 H41 G54 F74 E76 G328 T338	P36-R38 VanDerWaalsContact CD-NH2 3.27Å; P36-R38 PolarHBondContact O-N 3.28Å; P36-R38 PolarHBondContact O-NE 3.16Å; R38-H41 HydrophobicContact CG-CB 4.24Å; R38-G54 WeakPolarHBondContact CD-O 3.33Å; R38-G54 PolarHBondContact NH1-O 3.23Å; R38-F74 HydrophobicContact CB-CD2 3.69Å; R38-F74 HydrophobicContact CB-CE2 3.51Å; R38-F74 VanDerWaalsContact NH1-CB 3.26Å; R38-E76 IonicContact CZ-OE1 3.37Å; R38-E76 IonicContact NH1-OE1 3.18Å; R38-E76 IonicContact NH2-OE1 2.84Å; R38-E76 PolarHBondContact NH2-OE1 3.28Å; R38-G328 PolarHBondContact O-N 3.04Å; R38-T338 PolarHBondContact N-O 3.07Å
39	S	97.9	Very high	87.4	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-131.4	162.4	170.6	64.4	0	0	0	0	111.2	H41 G55 Y56 V329 R337	S39-H41 PolarHBondContact O-N 3.32Å; S39-G55 CarbonylContact O-C 3.56Å; S39-G55 WeakPolarHBondContact O-CA 3.46Å; S39-Y56 PolarHBondContact N-O 3.1Å; S39-Y56 VanDerWaalsContact O-CD1 3.27Å; S39-Y56 WeakPolarHBondContact O-CD1 3.32Å; S39-Y56 PolarHBondContact O-N 2.93Å; S39-Y56 WeakPolarHBondContact OG-CE1 3.19Å; S39-V329 WeakPolarHBondContact OG-CG2 3.48Å; S39-R337 PolarHBondContact OG-NE 2.91Å
40	G	97	Very high	89.7	Confident	5 Å²	5	32.5 Å²	32.5	5%	0.052	20%	0.204	C	C	.	.	S	Bend	trans	68	14.8	-178.6	0	0	0	0	0	114	S102 M103 F312	G40-S102 PolarHBondContact O-N 2.9Å; G40-M103 WeakPolarHBondContact O-CE 3.45Å; G40-F312 PolarHBondContact N-O 2.89Å
41	H	98.4	Very high	91.9	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.014	16%	0.162	C	C	.	.			trans	-80.5	168.6	172	65.9	-75.7	0	0	0	110.7	R38 S39 F53 G54 M103 H326	R38-H41 HydrophobicContact CG-CB 4.24Å; S39-H41 PolarHBondContact O-N 3.32Å; H41-F53 WeakPolarHBondContact CB-O 3.46Å; H41-G54 VanDerWaalsContact CB-O 3.27Å; H41-G54 WeakPolarHBondContact CB-O 3.37Å; H41-M103 VanDerWaalsContact CA-CE 3.44Å; H41-H326 AromaticContact CD2-ND1 3.7Å; H41-H326 AromaticContact CE1-ND1 3.58Å; H41-H326 PolarHBondContact CE1-O 2.88Å; H41-H326 AromaticContact NE2-CE1 3.97Å; H41-H326 AromaticContact NE2-CG 3.8Å; H41-H326 AromaticContact NE2-ND1 2.94Å; H41-H326 PolarHBondContact NE2-ND1 3.34Å; H41-H326 PolarHBondContact NE2-O 3.24Å; H41-H326 VanDerWaalsContact NE2-O 3.1Å
42	R	98.3	Very high	93.7	Very high	51 Å²	51	24.8 Å²	24.8	19%	0.192	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	156.9	167.7	-64.1	-59.7	-69.9	-161.1	-0.4	110.9	F53 M103 A105 E210	R42-F53 PolarHBondContact N-O 2.76Å; R42-F53 PolarHBondContact O-N 2.67Å; R42-M103 HydrophobicContact CB-CE 4.38Å; R42-M103 WeakPolarHBondContact CD-O 3.39Å; R42-M103 HydrophobicContact CG-CE 4.04Å; R42-M103 HydrophobicContact CG-CG 4.23Å; R42-M103 WeakPolarHBondContact CG-O 3.21Å; R42-A105 HydrophobicContact CB-CB 3.62Å; R42-A105 HydrophobicContact CG-CB 4.03Å; R42-E210 IonicContact CZ-OE1 3.26Å; R42-E210 IonicContact NH1-OE1 3.3Å; R42-E210 PolarHBondContact NH1-OE1 3.46Å; R42-E210 IonicContact NH1-OE2 3.86Å; R42-E210 IonicContact NH2-OE1 3.69Å; R42-E210 IonicContact NH2-OE2 2.8Å; R42-E210 PolarHBondContact NH2-OE2 2.85Å
43	C	97.9	Very high	95.4	Very high	7 Å²	7	22.2 Å²	22.2	5%	0.047	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.7	-176.6	68	0	0	0	0	108.7	L50 Y51 V52 C314 A315	C43-L50 HydrophobicContact CB-CD1 4.11Å; C43-Y51 CarbonylContact C-O 3.57Å; C43-Y51 WeakPolarHBondContact CA-O 3.09Å; C43-Y51 WeakPolarHBondContact CB-O 3.41Å; C43-V52 HydrophobicContact CB-CG2 4.07Å; C43-C314 WeakPolarHBondContact CA-SG 3.42Å; C43-C314 HydrophobicContact CB-CB 3.91Å; C43-C314 WeakPolarHBondContact CB-SG 3.44Å; C43-C314 PolarHBondContact N-SG 3.09Å; C43-C314 PolarHBondContact O-SG 3.46Å; C43-C314 WeakPolarHBondContact SG-CB 3.19Å; C43-C314 PolarHBondContact SG-O 2.91Å; C43-C314 CovalentContact SG-SG 2.06Å; C43-C314 PolarHBondContact SG-SG 3.38Å; C43-A315 PolarHBondContact SG-N 2.77Å; C43-A315 VanDerWaalsContact SG-N 3.4Å
44	V	98.3	Very high	96.2	Very high	15 Å²	15	16 Å²	16	9%	0.091	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.7	178.2	-64.7	0	0	0	0	108.4	Y51 L107 L112	V44-Y51 HydrophobicContact CG2-CD2 4.11Å; V44-Y51 HydrophobicContact CG2-CG 4.49Å; V44-Y51 PolarHBondContact N-O 3.45Å; V44-Y51 PolarHBondContact O-N 3.09Å; V44-L107 HydrophobicContact CB-CB 3.9Å; V44-L107 HydrophobicContact CG1-CB 4.36Å; V44-L107 HydrophobicContact CG2-CB 3.92Å; V44-L107 HydrophobicContact CG2-CD1 4.44Å; V44-L107 HydrophobicContact CG2-CD2 4.36Å; V44-L107 HydrophobicContact CG2-CG 4.48Å; V44-L112 HydrophobicContact CG1-CD1 4.33Å; V44-L112 HydrophobicContact CG2-CD1 3.87Å
45	A	97.3	Very high	96.5	Very high	18 Å²	18	13.1 Å²	13.1	15%	0.149	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.9	-178.7	0	0	0	0	0	111.3	N49 L50 F82 A316 T318	A45-N49 VanDerWaalsContact CA-O 3.29Å; A45-N49 WeakPolarHBondContact CA-O 3.12Å; A45-L50 HydrophobicContact CB-CD1 4.35Å; A45-F82 HydrophobicContact CB-CZ 4.28Å; A45-A316 HydrophobicContact CB-CB 3.86Å; A45-T318 HydrophobicContact CB-CG2 4.38Å
46	D	94.6	Very high	96.5	Very high	33 Å²	33	15.4 Å²	15.4	18%	0.176	8%	0.084	C	C	.	.			trans	-105.7	-163.5	159.6	63.4	37.7	0	0	0	109.3	T48 N49 Y51 F82 L107	D46-T48 PolarHBondContact O-N 3.44Å; D46-T48 WeakPolarHBondContact OD1-CA 3.49Å; D46-T48 PolarHBondContact OD1-N 2.7Å; D46-N49 PolarHBondContact N-O 3.21Å; D46-N49 PolarHBondContact OD1-N 3.2Å; D46-Y51 WeakPolarHBondContact OD2-CE2 3.44Å; D46-Y51 PolarHBondContact OD2-OH 3.48Å; D46-F82 WeakPolarHBondContact O-CE2 3.44Å; D46-L107 HydrophobicContact CB-CD2 3.86Å
47	N	91.4	Very high	96.6	Very high	73 Å²	73	15.4 Å²	15.4	39%	0.39	8%	0.084	S	C	.	.	S	Bend	trans	-71.9	-15.2	177.6	-77.5	-22.8	0	0	0	114.3	P319	N47-P319 VanDerWaalsContact OD1-CB 3.32Å; N47-P319 WeakPolarHBondContact OD1-CB 3.34Å; N47-P319 WeakPolarHBondContact OD1-CD 3.23Å; N47-P319 WeakPolarHBondContact OD1-CG 3.37Å
48	T	92.8	Very high	96.2	Very high	15 Å²	15	16 Å²	16	9%	0.092	9%	0.085	C	C	.	.	S	Bend	trans	-121.3	-27.7	-168.7	-51.6	0	0	0	0	112.8	D46 H81 F82 R386 A389	D46-T48 PolarHBondContact O-N 3.44Å; D46-T48 WeakPolarHBondContact OD1-CA 3.49Å; D46-T48 PolarHBondContact OD1-N 2.7Å; T48-H81 WeakPolarHBondContact CG2-NE2 3.44Å; T48-F82 VanDerWaalsContact O-CD2 3.25Å; T48-F82 WeakPolarHBondContact O-CD2 3.31Å; T48-F82 WeakPolarHBondContact O-CG 3.49Å; T48-F82 PolarHBondContact O-N 3.25Å; T48-R386 WeakPolarHBondContact CG2-O 3.42Å; T48-A389 HydrophobicContact CG2-CB 3.75Å
49	N	95.4	Very high	95.7	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.011	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.8	-166.7	-59.1	-71.9	0	0	0	112.1	A45 D46 Y51 R79 Y80 H81 F82	A45-N49 VanDerWaalsContact CA-O 3.29Å; A45-N49 WeakPolarHBondContact CA-O 3.12Å; D46-N49 PolarHBondContact N-O 3.21Å; D46-N49 PolarHBondContact OD1-N 3.2Å; N49-Y51 HydrophobicContact CB-CD2 4.44Å; N49-Y51 HydrophobicContact CB-CE1 4.24Å; N49-Y51 HydrophobicContact CB-CE2 3.78Å; N49-Y51 PolarHBondContact ND2-OH 3.18Å; N49-R79 HydrophobicContact CB-CG 3.8Å; N49-R79 WeakPolarHBondContact OD1-CD 3.01Å; N49-R79 WeakPolarHBondContact OD1-CG 3.12Å; N49-R79 PolarHBondContact OD1-NH1 2.8Å; N49-Y80 WeakPolarHBondContact CA-O 3.32Å; N49-H81 PolarHBondContact OD1-CD2 3.38Å; N49-F82 VanDerWaalsContact N-CE2 3.35Å
50	L	98	Very high	95	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.5	156.1	174.9	75.8	0	0	0	108.2	C43 A45 V52 R79 Y80 F82 W87 A316 L341	C43-L50 HydrophobicContact CB-CD1 4.11Å; A45-L50 HydrophobicContact CB-CD1 4.35Å; L50-V52 HydrophobicContact CD2-CG2 4.37Å; L50-V52 HydrophobicContact CG-CG2 4.42Å; L50-R79 CarbonylContact O-C 3.5Å; L50-R79 VanDerWaalsContact O-CA 3.27Å; L50-R79 WeakPolarHBondContact O-CA 3.43Å; L50-Y80 PolarHBondContact N-O 3.39Å; L50-Y80 PolarHBondContact O-N 2.95Å; L50-F82 HydrophobicContact CB-CE1 3.72Å; L50-F82 HydrophobicContact CB-CZ 3.89Å; L50-F82 VanDerWaalsContact N-CZ 3.32Å; L50-W87 HydrophobicContact CD2-CH2 4.08Å; L50-A316 HydrophobicContact CD1-CB 3.73Å; L50-L341 HydrophobicContact CD2-CD1 3.51Å
51	Y	98.4	Very high	93.7	Very high	6 Å²	6	29.9 Å²	29.9	2%	0.024	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.1	171.5	-55.3	-87	0	0	0	109.8	C43 V44 D46 N49 W78 R79 I90 L107 V135	C43-Y51 CarbonylContact C-O 3.57Å; C43-Y51 WeakPolarHBondContact CA-O 3.09Å; C43-Y51 WeakPolarHBondContact CB-O 3.41Å; V44-Y51 HydrophobicContact CG2-CD2 4.11Å; V44-Y51 HydrophobicContact CG2-CG 4.49Å; V44-Y51 PolarHBondContact N-O 3.45Å; V44-Y51 PolarHBondContact O-N 3.09Å; D46-Y51 WeakPolarHBondContact OD2-CE2 3.44Å; D46-Y51 PolarHBondContact OD2-OH 3.48Å; N49-Y51 HydrophobicContact CB-CD2 4.44Å; N49-Y51 HydrophobicContact CB-CE1 4.24Å; N49-Y51 HydrophobicContact CB-CE2 3.78Å; N49-Y51 PolarHBondContact ND2-OH 3.18Å; Y51-W78 CarbonylContact C-O 3.56Å; Y51-W78 VanDerWaalsContact CA-O 3.27Å; Y51-W78 WeakPolarHBondContact CA-O 3.36Å; Y51-R79 HydrophobicContact CD1-CB 4.23Å; Y51-R79 HydrophobicContact CD1-CG 4.17Å; Y51-R79 HydrophobicContact CE1-CB 4.41Å; Y51-R79 HydrophobicContact CE1-CG 3.98Å; Y51-I90 HydrophobicContact CD1-CD1 4.07Å; Y51-I90 HydrophobicContact CE1-CD1 3.96Å; Y51-L107 HydrophobicContact CE2-CD2 4.32Å; Y51-V135 HydrophobicContact CD1-CG1 4.19Å; Y51-V135 HydrophobicContact CE1-CB 3.86Å; Y51-V135 HydrophobicContact CE1-CG1 3.99Å; Y51-V135 HydrophobicContact CE1-CG2 4.21Å; Y51-V135 HydrophobicContact CE2-CG2 4.43Å
52	V	98.5	Very high	92.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.6	176.6	168.5	0	0	0	0	108.6	C43 L50 W78 W87 H326	C43-V52 HydrophobicContact CB-CG2 4.07Å; L50-V52 HydrophobicContact CD2-CG2 4.37Å; L50-V52 HydrophobicContact CG-CG2 4.42Å; V52-W78 HydrophobicContact CB-CB 4.17Å; V52-W78 PolarHBondContact N-O 3.43Å; V52-W78 PolarHBondContact O-N 2.87Å; V52-W87 HydrophobicContact CB-CH2 4.45Å; V52-W87 HydrophobicContact CB-CZ3 4.3Å; V52-W87 HydrophobicContact CG2-CH2 3.7Å; V52-W87 HydrophobicContact CG2-CZ3 3.98Å; V52-H326 HydrophobicContact CG2-CB 4.4Å
53	F	98.4	Very high	90.4	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.1	-175.1	-177	-108.1	0	0	0	112.1	H41 R42 E76 L77 M96 P97 L100 L112 V114 W140	H41-F53 WeakPolarHBondContact CB-O 3.46Å; R42-F53 PolarHBondContact N-O 2.76Å; R42-F53 PolarHBondContact O-N 2.67Å; F53-E76 VanDerWaalsContact CD2-O 3.3Å; F53-E76 WeakPolarHBondContact CD2-O 3.2Å; F53-L77 HydrophobicContact CB-CD1 4.03Å; F53-L77 HydrophobicContact CD2-CB 4.25Å; F53-L77 HydrophobicContact CD2-CD1 4.29Å; F53-M96 HydrophobicContact CE2-CE 4.4Å; F53-M96 HydrophobicContact CE2-CG 3.9Å; F53-M96 HydrophobicContact CE2-SD 3.7Å; F53-M96 HydrophobicContact CZ-CG 3.75Å; F53-M96 HydrophobicContact CZ-SD 4.09Å; F53-P97 HydrophobicContact CE1-CG 3.63Å; F53-P97 HydrophobicContact CZ-CG 3.65Å; F53-L100 HydrophobicContact CE1-CD2 3.7Å; F53-L100 HydrophobicContact CE2-CD2 4.15Å; F53-L100 HydrophobicContact CZ-CD2 3.38Å; F53-L112 HydrophobicContact CB-CD2 4.45Å; F53-V114 HydrophobicContact CD1-CG2 3.99Å; F53-V114 HydrophobicContact CE1-CG1 4.31Å; F53-V114 HydrophobicContact CE1-CG2 4.17Å; F53-W140 AromaticContact CD1-CH2 3.96Å; F53-W140 HydrophobicContact CD1-CH2 3.96Å; F53-W140 HydrophobicContact CD1-CZ2 4.47Å; F53-W140 HydrophobicContact CD2-CH2 4.05Å; F53-W140 AromaticContact CD2-CZ2 3.72Å; F53-W140 HydrophobicContact CD2-CZ2 3.72Å; F53-W140 AromaticContact CE1-CH2 3.69Å; F53-W140 HydrophobicContact CE1-CH2 3.69Å; F53-W140 HydrophobicContact CE1-CZ2 4.21Å; F53-W140 HydrophobicContact CE1-CZ3 4.42Å; F53-W140 AromaticContact CE2-CH2 3.8Å; F53-W140 HydrophobicContact CE2-CH2 3.8Å; F53-W140 AromaticContact CE2-CZ2 3.42Å; F53-W140 HydrophobicContact CE2-CZ2 3.42Å; F53-W140 VanDerWaalsContact CE2-CZ2 3.42Å; F53-W140 HydrophobicContact CG-CH2 4.13Å; F53-W140 HydrophobicContact CG-CZ2 4.25Å; F53-W140 AromaticContact CZ-CH2 3.61Å; F53-W140 HydrophobicContact CZ-CH2 3.61Å; F53-W140 AromaticContact CZ-CZ2 3.69Å; F53-W140 HydrophobicContact CZ-CZ2 3.69Å; F53-W140 HydrophobicContact CZ-CZ3 4.38Å
54	G	97.5	Very high	88.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.			trans	72.1	-155.2	178.5	0	0	0	0	0	113.2	R38 H41 F74 L100	R38-G54 WeakPolarHBondContact CD-O 3.33Å; R38-G54 PolarHBondContact NH1-O 3.23Å; H41-G54 VanDerWaalsContact CB-O 3.27Å; H41-G54 WeakPolarHBondContact CB-O 3.37Å; G54-F74 VanDerWaalsContact CA-O 3.25Å; G54-F74 WeakPolarHBondContact CA-O 3.47Å; G54-L100 CarbonylContact C-O 3.47Å; G54-L100 WeakPolarHBondContact CA-O 3.35Å
55	G	96.9	Very high	87.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.			trans	96.7	175.8	-173	0	0	0	0	0	112.4	S39 L73 F74 L100	S39-G55 CarbonylContact O-C 3.56Å; S39-G55 WeakPolarHBondContact O-CA 3.46Å; G55-L73 WeakPolarHBondContact O-CA 3.31Å; G55-F74 PolarHBondContact O-N 3.19Å; G55-L100 PolarHBondContact N-O 2.7Å
56	Y	94.3	Very high	85.5	Confident	51 Å²	51	42.4 Å²	42.4	20%	0.2	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-138.2	153.4	176.5	82	-75.4	0	0	0	110.9	S39 P72 A101 F122 R337	S39-Y56 PolarHBondContact N-O 3.1Å; S39-Y56 VanDerWaalsContact O-CD1 3.27Å; S39-Y56 WeakPolarHBondContact O-CD1 3.32Å; S39-Y56 PolarHBondContact O-N 2.93Å; S39-Y56 WeakPolarHBondContact OG-CE1 3.19Å; Y56-P72 CarbonylContact C-O 3.57Å; Y56-P72 WeakPolarHBondContact CA-O 3.13Å; Y56-P72 WeakPolarHBondContact CB-O 3.25Å; Y56-A101 HydrophobicContact CD1-CB 4.27Å; Y56-F122 HydrophobicContact CD2-CZ 4.37Å; Y56-F122 HydrophobicContact CG-CZ 4.42Å; Y56-R337 WeakPolarHBondContact O-CD 3.36Å; Y56-R337 PolarHBondContact O-NE 2.87Å; Y56-R337 PolarHBondContact OH-NH2 3.41Å
57	N	93.8	Very high	84.2	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.064	27%	0.27	C	S	.	.			trans	-154.2	107.4	166.9	-174.3	1	0	0	0	110.3	A37 D59 Y60 P72 F74	A37-N57 VanDerWaalsContact O-CB 3.26Å; A37-N57 WeakPolarHBondContact O-CB 3.35Å; A37-N57 PolarHBondContact O-ND2 3.23Å; N57-D59 PolarHBondContact O-N 3.48Å; N57-D59 PolarHBondContact OD1-N 3.34Å; N57-Y60 PolarHBondContact O-N 3.09Å; N57-P72 PolarHBondContact N-O 3.42Å; N57-F74 HydrophobicContact CB-CE2 3.55Å; N57-F74 HydrophobicContact CB-CZ 3.68Å
58	P	88.8	Confident	83.5	Confident	41 Å²	41	48.8 Å²	48.8	27%	0.266	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.4	179.1	34.3	-36.4	0	0	0	113.3	Y71 P72	P58-Y71 PolarHBondContact O-OH 3.29Å; P58-P72 HydrophobicContact CB-CB 4.33Å
59	D	86.8	Confident	82.7	Confident	98 Å²	98	57.1 Å²	57.1	52%	0.524	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	8.8	-179.8	-50.2	-54.8	0	0	0	111.6	N57 N335 R337	N57-D59 PolarHBondContact O-N 3.48Å; N57-D59 PolarHBondContact OD1-N 3.34Å; D59-N335 PolarHBondContact OD2-ND2 2.89Å; D59-N335 VanDerWaalsContact OD2-ND2 3.14Å; D59-R337 IonicContact OD2-NH1 3.58Å
60	Y	81.6	Confident	82.1	Confident	39 Å²	39	59.2 Å²	59.2	15%	0.153	32%	0.315	C	S	.	.			trans	-99.2	86.5	-179.3	-169.3	-109.3	0	0	0	111.3	P36 N57 E62 S63 F74	P36-Y60 HydrophobicContact CB-CD1 4.2Å; P36-Y60 HydrophobicContact CB-CD2 3.95Å; P36-Y60 HydrophobicContact CB-CE1 4.01Å; P36-Y60 HydrophobicContact CB-CE2 3.79Å; P36-Y60 HydrophobicContact CB-CG 4.17Å; P36-Y60 HydrophobicContact CG-CD1 4.25Å; P36-Y60 HydrophobicContact CG-CD2 4.45Å; P36-Y60 HydrophobicContact CG-CE1 3.59Å; P36-Y60 HydrophobicContact CG-CE2 3.87Å; N57-Y60 PolarHBondContact O-N 3.09Å; Y60-E62 HydrophobicContact CE1-CB 3.93Å; Y60-E62 HydrophobicContact CE2-CB 3.86Å; Y60-E62 HydrophobicContact CE2-CG 4.38Å; Y60-E62 PolarHBondContact O-N 3.2Å; Y60-E62 WeakPolarHBondContact OH-CB 3.36Å; Y60-E62 PolarHBondContact OH-OE2 3.16Å; Y60-S63 PolarHBondContact O-OG 3.44Å; Y60-S63 VanDerWaalsContact O-OG 3.05Å; Y60-F74 AromaticContact CD1-CE1 3.62Å; Y60-F74 HydrophobicContact CD1-CE1 3.62Å; Y60-F74 AromaticContact CD1-CZ 3.96Å; Y60-F74 HydrophobicContact CD1-CZ 3.96Å; Y60-F74 HydrophobicContact CE1-CE1 4.08Å; Y60-F74 HydrophobicContact CG-CE1 4.25Å; Y60-F74 HydrophobicContact CG-CZ 4.13Å
61	E	69.8	Low	81.2	Confident	159 Å²	159	62 Å²	62	74%	0.743	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-72.2	-26.5	-177.2	-63.5	-175.4	171.2	0	0	113.5	S63 G64 G65	E61-S63 PolarHBondContact O-N 3.47Å; E61-G64 PolarHBondContact O-N 3.09Å; E61-G65 PolarHBondContact O-N 2.81Å
62	E	67.5	Low	80.8	Confident	157 Å²	157	62.5 Å²	62.5	73%	0.734	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-61.8	-16.5	-177.7	-75.4	-176.8	177.9	0	0	114.1	Y60 G64	Y60-E62 HydrophobicContact CE1-CB 3.93Å; Y60-E62 HydrophobicContact CE2-CB 3.86Å; Y60-E62 HydrophobicContact CE2-CG 4.38Å; Y60-E62 PolarHBondContact O-N 3.2Å; Y60-E62 WeakPolarHBondContact OH-CB 3.36Å; Y60-E62 PolarHBondContact OH-OE2 3.16Å; E62-G64 PolarHBondContact O-N 2.92Å
63	S	59.9	Low	80.5	Confident	28 Å²	28	63 Å²	63	20%	0.196	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-77.8	12.8	171.5	54.9	0	0	0	0	113.8	Y60 E61 N68	Y60-S63 PolarHBondContact O-OG 3.44Å; Y60-S63 VanDerWaalsContact O-OG 3.05Å; E61-S63 PolarHBondContact O-N 3.47Å; S63-N68 WeakPolarHBondContact O-CB 3.22Å; S63-N68 PolarHBondContact O-ND2 2.95Å
64	G	59.1	Low	80.3	Confident	42 Å²	42	63.2 Å²	63.2	43%	0.433	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	13.1	179.9	0	0	0	0	0	114.3	E61 E62 E67	E61-G64 PolarHBondContact O-N 3.09Å; E62-G64 PolarHBondContact O-N 2.92Å; G64-E67 PolarHBondContact O-N 2.96Å
65	G	68.7	Low	80.2	Confident	17 Å²	17	67.7 Å²	67.7	18%	0.175	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	48.2	-142.7	-179	0	0	0	0	0	113.2	E61 E67 N68 Y71	E61-G65 PolarHBondContact O-N 2.81Å; G65-E67 PolarHBondContact O-N 3.42Å; G65-E67 VanDerWaalsContact O-N 3.11Å; G65-N68 PolarHBondContact O-N 2.95Å; G65-Y71 WeakPolarHBondContact O-CB 3.32Å; G65-Y71 WeakPolarHBondContact O-CD1 3.27Å
66	S	63.3	Low	80	Confident	113 Å²	113	68.9 Å²	68.9	79%	0.79	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-64.9	-9.9	-179.9	55	0	0	0	0	115.3
67	E	67.8	Low	80.2	Confident	183 Å²	183	66.5 Å²	66.5	86%	0.855	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-83.2	-16.6	178.2	-61	-172.4	164.6	0	0	112.6	G64 G65	G64-E67 PolarHBondContact O-N 2.96Å; G65-E67 PolarHBondContact O-N 3.42Å; G65-E67 VanDerWaalsContact O-N 3.11Å
68	N	75.6	Confident	80.3	Confident	58 Å²	58	66 Å²	66	31%	0.31	34%	0.344	S	S	.	.	S	Bend	trans	-85.5	122.7	172.8	179.6	-4.6	0	0	0	110.1	S63 G65 D70 Y71	S63-N68 WeakPolarHBondContact O-CB 3.22Å; S63-N68 PolarHBondContact O-ND2 2.95Å; G65-N68 PolarHBondContact O-N 2.95Å; N68-D70 PolarHBondContact O-N 3.07Å; N68-D70 VanDerWaalsContact O-N 3.16Å; N68-D70 PolarHBondContact OD1-N 2.8Å; N68-Y71 VanDerWaalsContact O-CB 3.28Å; N68-Y71 WeakPolarHBondContact O-CB 3.34Å; N68-Y71 PolarHBondContact O-N 3.14Å
69	E	77.9	Confident	80.7	Confident	190 Å²	190	64.3 Å²	64.3	89%	0.888	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.8	-179.9	-63.9	-177.3	173.8	0	0	113.5
70	D	80.8	Confident	81.1	Confident	45 Å²	45	60.3 Å²	60.3	24%	0.241	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.8	177.9	-69.1	-43.6	0	0	0	112.1	N68 L73 R75	N68-D70 PolarHBondContact O-N 3.07Å; N68-D70 VanDerWaalsContact O-N 3.16Å; N68-D70 PolarHBondContact OD1-N 2.8Å; D70-L73 CarbonylContact O-C 3.54Å; D70-L73 VanDerWaalsContact O-CA 3.27Å; D70-L73 WeakPolarHBondContact O-CA 3.36Å; D70-L73 WeakPolarHBondContact O-CB 3.36Å; D70-L73 PolarHBondContact O-N 3.38Å; D70-R75 HydrophobicContact CB-CB 4.23Å; D70-R75 WeakPolarHBondContact OD1-CD 3.17Å; D70-R75 IonicContact OD1-NH1 3.73Å; D70-R75 WeakPolarHBondContact OD2-CB 3.49Å; D70-R75 WeakPolarHBondContact OD2-CD 3.35Å
71	Y	80.8	Confident	81.7	Confident	58 Å²	58	58.8 Å²	58.8	23%	0.227	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	136	-176.3	173.3	-91.2	0	0	0	112.5	P58 G65 N68 I120	P58-Y71 PolarHBondContact O-OH 3.29Å; G65-Y71 WeakPolarHBondContact O-CB 3.32Å; G65-Y71 WeakPolarHBondContact O-CD1 3.27Å; N68-Y71 VanDerWaalsContact O-CB 3.28Å; N68-Y71 WeakPolarHBondContact O-CB 3.34Å; N68-Y71 PolarHBondContact O-N 3.14Å; Y71-I120 WeakPolarHBondContact O-CD1 3.29Å
72	P	88.4	Confident	82.8	Confident	18 Å²	18	53 Å²	53	12%	0.117	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.6	26.3	5.4	37.6	-39.1	0	0	0	115.1	Y56 N57 P58 I120 F122	Y56-P72 CarbonylContact C-O 3.57Å; Y56-P72 WeakPolarHBondContact CA-O 3.13Å; Y56-P72 WeakPolarHBondContact CB-O 3.25Å; N57-P72 PolarHBondContact N-O 3.42Å; P58-P72 HydrophobicContact CB-CB 4.33Å; P72-I120 VanDerWaalsContact CD-CD1 3.43Å; P72-F122 HydrophobicContact CG-CZ 4.45Å
73	L	93.1	Very high	84	Confident	11 Å²	11	46 Å²	46	6%	0.058	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-87.6	151.3	177.9	-61.4	167	0	0	0	112	G55 D70 L100 A101 I120 F122	G55-L73 WeakPolarHBondContact O-CA 3.31Å; D70-L73 CarbonylContact O-C 3.54Å; D70-L73 VanDerWaalsContact O-CA 3.27Å; D70-L73 WeakPolarHBondContact O-CA 3.36Å; D70-L73 WeakPolarHBondContact O-CB 3.36Å; D70-L73 PolarHBondContact O-N 3.38Å; L73-L100 HydrophobicContact CB-CB 3.99Å; L73-L100 HydrophobicContact CB-CD1 3.92Å; L73-L100 HydrophobicContact CD1-CB 4.29Å; L73-L100 HydrophobicContact CD2-CB 4.08Å; L73-L100 HydrophobicContact CG-CB 4.35Å; L73-A101 HydrophobicContact CD2-CB 3.76Å; L73-I120 HydrophobicContact CD1-CD1 3.96Å; L73-I120 HydrophobicContact CD1-CG1 3.94Å; L73-I120 HydrophobicContact CG-CD1 4.1Å; L73-I120 HydrophobicContact CG-CG1 4.27Å; L73-F122 HydrophobicContact CD2-CE1 3.82Å; L73-F122 HydrophobicContact CD2-CZ 4.11Å
74	F	94.4	Very high	85.4	Confident	8 Å²	8	46 Å²	46	4%	0.035	24%	0.244	C	C	.	.			trans	-101.7	96.1	177.2	-66.1	-65.9	0	0	0	112.1	P36 R38 G54 G55 N57 Y60 E76	P36-F74 HydrophobicContact CB-CE1 3.75Å; P36-F74 HydrophobicContact CB-CZ 3.69Å; P36-F74 HydrophobicContact CG-CE1 3.96Å; P36-F74 HydrophobicContact CG-CZ 4.41Å; R38-F74 HydrophobicContact CB-CD2 3.69Å; R38-F74 HydrophobicContact CB-CE2 3.51Å; R38-F74 VanDerWaalsContact NH1-CB 3.26Å; G54-F74 VanDerWaalsContact CA-O 3.25Å; G54-F74 WeakPolarHBondContact CA-O 3.47Å; G55-F74 PolarHBondContact O-N 3.19Å; N57-F74 HydrophobicContact CB-CE2 3.55Å; N57-F74 HydrophobicContact CB-CZ 3.68Å; Y60-F74 AromaticContact CD1-CE1 3.62Å; Y60-F74 HydrophobicContact CD1-CE1 3.62Å; Y60-F74 AromaticContact CD1-CZ 3.96Å; Y60-F74 HydrophobicContact CD1-CZ 3.96Å; Y60-F74 HydrophobicContact CE1-CE1 4.08Å; Y60-F74 HydrophobicContact CG-CE1 4.25Å; Y60-F74 HydrophobicContact CG-CZ 4.13Å; F74-E76 VanDerWaalsContact C-N 3.27Å; F74-E76 HydrophobicContact CB-CG 4.07Å; F74-E76 PolarHBondContact O-N 2.82Å; F74-E76 VanDerWaalsContact O-N 3.08Å
75	R	94.3	Very high	86.9	Confident	93 Å²	93	44.3 Å²	44.3	35%	0.351	23%	0.228	S	C	.	.			trans	-87.1	61.2	178.3	-162.8	162.9	-178.3	-158.3	-2.7	112.8	D70 M96 P97 L100	D70-R75 HydrophobicContact CB-CB 4.23Å; D70-R75 WeakPolarHBondContact OD1-CD 3.17Å; D70-R75 IonicContact OD1-NH1 3.73Å; D70-R75 WeakPolarHBondContact OD2-CB 3.49Å; D70-R75 WeakPolarHBondContact OD2-CD 3.35Å; R75-M96 HydrophobicContact CB-SD 4.28Å; R75-M96 HydrophobicContact CG-CG 4.11Å; R75-M96 HydrophobicContact CG-SD 3.25Å; R75-M96 WeakPolarHBondContact CG-SD 3.22Å; R75-M96 PolarHBondContact NH2-O 3.32Å; R75-P97 PolarHBondContact NE-O 2.71Å; R75-L100 HydrophobicContact CB-CD1 3.44Å; R75-L100 VanDerWaalsContact CB-CD1 3.44Å; R75-L100 HydrophobicContact CG-CD1 3.71Å; R75-L100 HydrophobicContact CG-CD2 4.47Å
76	E	94.1	Very high	88	Confident	25 Å²	25	44.6 Å²	44.6	12%	0.117	23%	0.227	C	C	.	.			trans	-151.3	146.7	-172.7	47.5	171.9	-159.7	0	0	112.4	R38 F53 F74 W78 Q89	R38-E76 IonicContact CZ-OE1 3.37Å; R38-E76 IonicContact NH1-OE1 3.18Å; R38-E76 IonicContact NH2-OE1 2.84Å; R38-E76 PolarHBondContact NH2-OE1 3.28Å; F53-E76 VanDerWaalsContact CD2-O 3.3Å; F53-E76 WeakPolarHBondContact CD2-O 3.2Å; F74-E76 VanDerWaalsContact C-N 3.27Å; F74-E76 HydrophobicContact CB-CG 4.07Å; F74-E76 PolarHBondContact O-N 2.82Å; F74-E76 VanDerWaalsContact O-N 3.08Å; E76-W78 PolarHBondContact OE1-NE1 3.29Å; E76-W78 PolarHBondContact OE2-NE1 3.49Å; E76-W78 VanDerWaalsContact OE2-NE1 3.08Å; E76-Q89 HydrophobicContact CB-CG 4.43Å; E76-Q89 PolarHBondContact OE2-NE2 3.27Å
77	L	97.2	Very high	89.4	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.9	176.1	-179.2	62.9	0	0	0	109.8	F53 I90 T92 L112	F53-L77 HydrophobicContact CB-CD1 4.03Å; F53-L77 HydrophobicContact CD2-CB 4.25Å; F53-L77 HydrophobicContact CD2-CD1 4.29Å; L77-I90 HydrophobicContact CB-CB 4.42Å; L77-I90 HydrophobicContact CD2-CB 4.24Å; L77-I90 HydrophobicContact CD2-CD1 3.93Å; L77-I90 HydrophobicContact CD2-CG2 4.45Å; L77-I90 HydrophobicContact CG-CB 4.28Å; L77-I90 HydrophobicContact CG-CD1 4.15Å; L77-I90 PolarHBondContact O-N 3.43Å; L77-T92 HydrophobicContact CB-CG2 4.35Å; L77-T92 HydrophobicContact CD2-CG2 3.91Å; L77-L112 HydrophobicContact CD1-CD2 3.96Å
78	W	97.4	Very high	90.6	Very high	3 Å²	3	34.4 Å²	34.4	1%	0.011	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	151.6	174	-75.3	88.7	0	0	0	111.5	P32 P35 Y51 V52 E76 W87 Q89	P32-W78 HydrophobicContact CG-CH2 4.36Å; P32-W78 HydrophobicContact CG-CZ2 4.21Å; P32-W78 WeakPolarHBondContact O-CH2 3.25Å; P35-W78 HydrophobicContact CB-CB 4.33Å; P35-W78 HydrophobicContact CB-CD2 3.9Å; P35-W78 HydrophobicContact CB-CG 3.75Å; P35-W78 HydrophobicContact CG-CD2 4.41Å; P35-W78 HydrophobicContact CG-CG 4.34Å; Y51-W78 CarbonylContact C-O 3.56Å; Y51-W78 VanDerWaalsContact CA-O 3.27Å; Y51-W78 WeakPolarHBondContact CA-O 3.36Å; V52-W78 HydrophobicContact CB-CB 4.17Å; V52-W78 PolarHBondContact N-O 3.43Å; V52-W78 PolarHBondContact O-N 2.87Å; E76-W78 PolarHBondContact OE1-NE1 3.29Å; E76-W78 PolarHBondContact OE2-NE1 3.49Å; E76-W78 VanDerWaalsContact OE2-NE1 3.08Å; W78-W87 HydrophobicContact CB-CE3 4.07Å; W78-W87 HydrophobicContact CB-CZ3 3.98Å; W78-W87 HydrophobicContact CE3-CB 4.28Å; W78-W87 HydrophobicContact CE3-CE3 4.35Å; W78-W87 HydrophobicContact CZ3-CB 4.34Å; W78-Q89 HydrophobicContact CD2-CB 4.07Å; W78-Q89 HydrophobicContact CD2-CG 4.29Å; W78-Q89 HydrophobicContact CE3-CB 4.02Å; W78-Q89 HydrophobicContact CH2-CB 3.83Å; W78-Q89 HydrophobicContact CH2-CG 4.48Å; W78-Q89 HydrophobicContact CZ2-CB 3.88Å; W78-Q89 HydrophobicContact CZ2-CG 4.02Å; W78-Q89 HydrophobicContact CZ3-CB 3.91Å
79	R	95.7	Very high	91.4	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.8	175.2	-177.3	-177.7	71.1	146.9	-6	111	N49 L50 Y51 W87 Q88 I90 A389 N390	N49-R79 HydrophobicContact CB-CG 3.8Å; N49-R79 WeakPolarHBondContact OD1-CD 3.01Å; N49-R79 WeakPolarHBondContact OD1-CG 3.12Å; N49-R79 PolarHBondContact OD1-NH1 2.8Å; L50-R79 CarbonylContact O-C 3.5Å; L50-R79 VanDerWaalsContact O-CA 3.27Å; L50-R79 WeakPolarHBondContact O-CA 3.43Å; Y51-R79 HydrophobicContact CD1-CB 4.23Å; Y51-R79 HydrophobicContact CD1-CG 4.17Å; Y51-R79 HydrophobicContact CE1-CB 4.41Å; Y51-R79 HydrophobicContact CE1-CG 3.98Å; R79-W87 CarbonylContact O-C 3.53Å; R79-W87 WeakPolarHBondContact O-CA 3.46Å; R79-Q88 PolarHBondContact N-O 3.2Å; R79-Q88 PolarHBondContact O-N 2.92Å; R79-I90 HydrophobicContact CB-CD1 3.76Å; R79-I90 HydrophobicContact CB-CG1 3.9Å; R79-I90 HydrophobicContact CG-CD1 4.42Å; R79-A389 PolarHBondContact NH1-O 3.39Å; R79-N390 PolarHBondContact NH1-ND2 3.37Å
80	Y	96.3	Very high	92.1	Very high	13 Å²	13	27 Å²	27	5%	0.051	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.2	166.2	-177.5	-99.2	0	0	0	109	L19 N49 L50 F82 G85 C86 W87 Y324 L341	L19-Y80 HydrophobicContact CD1-CE1 3.95Å; N49-Y80 WeakPolarHBondContact CA-O 3.32Å; L50-Y80 PolarHBondContact N-O 3.39Å; L50-Y80 PolarHBondContact O-N 2.95Å; Y80-F82 AromaticContact CD1-CD1 3.81Å; Y80-F82 HydrophobicContact CD1-CD1 3.81Å; Y80-F82 HydrophobicContact CD1-CE1 4.12Å; Y80-F82 HydrophobicContact CE1-CD1 4.09Å; Y80-G85 VanDerWaalsContact CE2-C 3.41Å; Y80-G85 VanDerWaalsContact CE2-O 3.3Å; Y80-G85 WeakPolarHBondContact CE2-O 3.32Å; Y80-G85 VanDerWaalsContact OH-CA 3.32Å; Y80-G85 WeakPolarHBondContact OH-CA 3.19Å; Y80-C86 WeakPolarHBondContact CA-O 3.36Å; Y80-W87 AromaticContact CD2-CD1 3.67Å; Y80-W87 AromaticContact CD2-CD2 3.84Å; Y80-W87 HydrophobicContact CD2-CD2 3.84Å; Y80-W87 AromaticContact CD2-CE2 3.64Å; Y80-W87 AromaticContact CD2-CG 3.89Å; Y80-W87 HydrophobicContact CD2-CG 3.89Å; Y80-W87 HydrophobicContact CD2-CZ2 4.25Å; Y80-W87 AromaticContact CD2-NE1 3.52Å; Y80-W87 HydrophobicContact CG-CD2 4.29Å; Y80-W87 HydrophobicContact CG-CZ2 4.32Å; Y80-Y324 HydrophobicContact CE1-CE1 4.42Å; Y80-L341 HydrophobicContact CD1-CD2 3.74Å; Y80-L341 HydrophobicContact CD2-CD2 3.78Å; Y80-L341 HydrophobicContact CE1-CD2 3.81Å; Y80-L341 HydrophobicContact CE2-CD2 3.84Å; Y80-L341 HydrophobicContact CG-CD2 3.71Å
81	H	93.7	Very high	92.7	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.032	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117	-178	-172.6	-85	0	0	0	110	T48 N49 A83 T84 G85 C86 R386 V387	T48-H81 WeakPolarHBondContact CG2-NE2 3.44Å; N49-H81 PolarHBondContact OD1-CD2 3.38Å; H81-A83 VanDerWaalsContact C-N 3.35Å; H81-A83 PolarHBondContact O-N 3.19Å; H81-T84 WeakPolarHBondContact CB-OG1 3.45Å; H81-T84 PolarHBondContact ND1-N 3.27Å; H81-T84 PolarHBondContact ND1-OG1 3.35Å; H81-T84 PolarHBondContact O-N 3.38Å; H81-T84 PolarHBondContact O-OG1 3.37Å; H81-G85 WeakPolarHBondContact O-CA 3.49Å; H81-G85 PolarHBondContact O-N 3Å; H81-C86 PolarHBondContact N-O 3.04Å; H81-R386 PolarHBondContact CE1-O 2.71Å; H81-R386 PolarHBondContact NE2-O 2.83Å; H81-V387 PolarHBondContact CE1-O 2.93Å; H81-V387 PolarHBondContact NE2-O 3.11Å
82	F	93.7	Very high	93.3	Very high	38 Å²	38	33 Å²	33	17%	0.167	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-40.1	-169.2	-58.9	-40.8	0	0	0	112.8	A45 D46 T48 N49 L50 Y80 T84 T318 Y324	A45-F82 HydrophobicContact CB-CZ 4.28Å; D46-F82 WeakPolarHBondContact O-CE2 3.44Å; T48-F82 VanDerWaalsContact O-CD2 3.25Å; T48-F82 WeakPolarHBondContact O-CD2 3.31Å; T48-F82 WeakPolarHBondContact O-CG 3.49Å; T48-F82 PolarHBondContact O-N 3.25Å; N49-F82 VanDerWaalsContact N-CE2 3.35Å; L50-F82 HydrophobicContact CB-CE1 3.72Å; L50-F82 HydrophobicContact CB-CZ 3.89Å; L50-F82 VanDerWaalsContact N-CZ 3.32Å; Y80-F82 AromaticContact CD1-CD1 3.81Å; Y80-F82 HydrophobicContact CD1-CD1 3.81Å; Y80-F82 HydrophobicContact CD1-CE1 4.12Å; Y80-F82 HydrophobicContact CE1-CD1 4.09Å; F82-T84 PolarHBondContact O-N 2.77Å; F82-T318 HydrophobicContact CD2-CG2 4.41Å; F82-T318 HydrophobicContact CE2-CG2 3.6Å; F82-T318 HydrophobicContact CZ-CG2 3.84Å; F82-Y324 AromaticContact CD1-CE1 3.76Å; F82-Y324 HydrophobicContact CD1-CE1 3.76Å; F82-Y324 HydrophobicContact CD1-CE2 4.14Å; F82-Y324 AromaticContact CD1-CZ 3.52Å; F82-Y324 WeakPolarHBondContact CD1-OH 3.25Å; F82-Y324 AromaticContact CE1-CD1 3.98Å; F82-Y324 HydrophobicContact CE1-CD1 3.98Å; F82-Y324 AromaticContact CE1-CD2 3.97Å; F82-Y324 HydrophobicContact CE1-CD2 3.97Å; F82-Y324 AromaticContact CE1-CE1 3.55Å; F82-Y324 HydrophobicContact CE1-CE1 3.55Å; F82-Y324 AromaticContact CE1-CE2 3.57Å; F82-Y324 HydrophobicContact CE1-CE2 3.57Å; F82-Y324 HydrophobicContact CE1-CG 4.17Å; F82-Y324 AromaticContact CE1-CZ 3.35Å; F82-Y324 HydrophobicContact CE2-CE2 4.47Å; F82-Y324 HydrophobicContact CZ-CD2 4.09Å; F82-Y324 AromaticContact CZ-CE2 3.77Å; F82-Y324 HydrophobicContact CZ-CE2 3.77Å
83	A	91.9	Very high	93.7	Very high	11 Å²	11	38.3 Å²	38.3	9%	0.091	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-33.4	-176.7	0	0	0	0	0	113.2	H81 W356 L360 T367 R386	H81-A83 VanDerWaalsContact C-N 3.35Å; H81-A83 PolarHBondContact O-N 3.19Å; A83-W356 HydrophobicContact CB-CZ2 4.48Å; A83-L360 HydrophobicContact CB-CD1 3.78Å; A83-L360 HydrophobicContact CB-CD2 4.11Å; A83-T367 HydrophobicContact CB-CG2 4.18Å; A83-T367 WeakPolarHBondContact O-CG2 3.47Å; A83-R386 WeakPolarHBondContact CB-O 3.32Å
84	T	89.1	Confident	93.8	Very high	26 Å²	26	40 Å²	40	16%	0.16	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-23.8	-177.7	63.4	0	0	0	0	112	H81 F82 C86 T367	H81-T84 WeakPolarHBondContact CB-OG1 3.45Å; H81-T84 PolarHBondContact ND1-N 3.27Å; H81-T84 PolarHBondContact ND1-OG1 3.35Å; H81-T84 PolarHBondContact O-N 3.38Å; H81-T84 PolarHBondContact O-OG1 3.37Å; F82-T84 PolarHBondContact O-N 2.77Å; T84-C86 VanDerWaalsContact C-N 3.27Å; T84-C86 PolarHBondContact OG1-N 3.33Å; T84-T367 HydrophobicContact CG2-CG2 4.02Å
85	G	90.9	Very high	93.8	Very high	8 Å²	8	47.9 Å²	47.9	8%	0.082	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	25.7	-171.5	0	0	0	0	0	113.2	R22 Y80 H81	R22-G85 PolarHBondContact N-O 2.92Å; Y80-G85 VanDerWaalsContact CE2-C 3.41Å; Y80-G85 VanDerWaalsContact CE2-O 3.3Å; Y80-G85 WeakPolarHBondContact CE2-O 3.32Å; Y80-G85 VanDerWaalsContact OH-CA 3.32Å; Y80-G85 WeakPolarHBondContact OH-CA 3.19Å; H81-G85 WeakPolarHBondContact O-CA 3.49Å; H81-G85 PolarHBondContact O-N 3Å
86	C	90.9	Very high	93.8	Very high	23 Å²	23	44.6 Å²	44.6	16%	0.155	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.4	-174.9	-56.8	0	0	0	0	111.5	R22 Y80 H81 T84	R22-C86 PolarHBondContact O-SG 2.85Å; R22-C86 VanDerWaalsContact O-SG 3.38Å; Y80-C86 WeakPolarHBondContact CA-O 3.36Å; H81-C86 PolarHBondContact N-O 3.04Å; T84-C86 VanDerWaalsContact C-N 3.27Å; T84-C86 PolarHBondContact OG1-N 3.33Å
87	W	93.8	Very high	93.9	Very high	8 Å²	8	43.7 Å²	43.7	3%	0.03	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.2	164.9	-76.2	103.4	0	0	0	110.9	R33 T34 P35 L50 V52 W78 R79 Y80 H326 L341	R33-W87 WeakPolarHBondContact O-CB 3.42Å; T34-W87 HydrophobicContact CG2-CB 4.38Å; T34-W87 HydrophobicContact CG2-CG 4.2Å; P35-W87 HydrophobicContact CG-CD2 4.02Å; P35-W87 HydrophobicContact CG-CE3 3.94Å; P35-W87 HydrophobicContact CG-CH2 3.96Å; P35-W87 HydrophobicContact CG-CZ2 4Å; P35-W87 HydrophobicContact CG-CZ3 3.92Å; L50-W87 HydrophobicContact CD2-CH2 4.08Å; V52-W87 HydrophobicContact CB-CH2 4.45Å; V52-W87 HydrophobicContact CB-CZ3 4.3Å; V52-W87 HydrophobicContact CG2-CH2 3.7Å; V52-W87 HydrophobicContact CG2-CZ3 3.98Å; W78-W87 HydrophobicContact CB-CE3 4.07Å; W78-W87 HydrophobicContact CB-CZ3 3.98Å; W78-W87 HydrophobicContact CE3-CB 4.28Å; W78-W87 HydrophobicContact CE3-CE3 4.35Å; W78-W87 HydrophobicContact CZ3-CB 4.34Å; R79-W87 CarbonylContact O-C 3.53Å; R79-W87 WeakPolarHBondContact O-CA 3.46Å; Y80-W87 AromaticContact CD2-CD1 3.67Å; Y80-W87 AromaticContact CD2-CD2 3.84Å; Y80-W87 HydrophobicContact CD2-CD2 3.84Å; Y80-W87 AromaticContact CD2-CE2 3.64Å; Y80-W87 AromaticContact CD2-CG 3.89Å; Y80-W87 HydrophobicContact CD2-CG 3.89Å; Y80-W87 HydrophobicContact CD2-CZ2 4.25Å; Y80-W87 AromaticContact CD2-NE1 3.52Å; Y80-W87 HydrophobicContact CG-CD2 4.29Å; Y80-W87 HydrophobicContact CG-CZ2 4.32Å; W87-H326 AromaticContact CZ2-CD2 3.85Å; W87-L341 HydrophobicContact CZ2-CB 4.24Å; W87-L341 HydrophobicContact CZ2-CD1 4.27Å; W87-L341 HydrophobicContact CZ2-CD2 3.75Å; W87-L341 HydrophobicContact CZ2-CG 4.31Å
88	Q	91.8	Very high	93.8	Very high	74 Å²	74	46.4 Å²	46.4	35%	0.346	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	128.9	172.3	-177.8	178.8	16.5	0	0	109.5	R79 I90	R79-Q88 PolarHBondContact N-O 3.2Å; R79-Q88 PolarHBondContact O-N 2.92Å; Q88-I90 PolarHBondContact O-N 3.06Å
89	Q	93.4	Very high	93.7	Very high	83 Å²	83	47.3 Å²	47.3	39%	0.388	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.3	165.9	-161.8	-171	12.8	0	0	108.5	E76 W78 R91	E76-Q89 HydrophobicContact CB-CG 4.43Å; E76-Q89 PolarHBondContact OE2-NE2 3.27Å; W78-Q89 HydrophobicContact CD2-CB 4.07Å; W78-Q89 HydrophobicContact CD2-CG 4.29Å; W78-Q89 HydrophobicContact CE3-CB 4.02Å; W78-Q89 HydrophobicContact CH2-CB 3.83Å; W78-Q89 HydrophobicContact CH2-CG 4.48Å; W78-Q89 HydrophobicContact CZ2-CB 3.88Å; W78-Q89 HydrophobicContact CZ2-CG 4.02Å; W78-Q89 HydrophobicContact CZ3-CB 3.91Å; Q89-R91 PolarHBondContact O-N 3.42Å
90	I	92.9	Very high	93.7	Very high	9 Å²	9	47 Å²	47	5%	0.046	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	111.1	174.5	-55.8	-178.1	0	0	0	107.4	Y51 L77 R79 Q88 T92 K138	Y51-I90 HydrophobicContact CD1-CD1 4.07Å; Y51-I90 HydrophobicContact CE1-CD1 3.96Å; L77-I90 HydrophobicContact CB-CB 4.42Å; L77-I90 HydrophobicContact CD2-CB 4.24Å; L77-I90 HydrophobicContact CD2-CD1 3.93Å; L77-I90 HydrophobicContact CD2-CG2 4.45Å; L77-I90 HydrophobicContact CG-CB 4.28Å; L77-I90 HydrophobicContact CG-CD1 4.15Å; L77-I90 PolarHBondContact O-N 3.43Å; R79-I90 HydrophobicContact CB-CD1 3.76Å; R79-I90 HydrophobicContact CB-CG1 3.9Å; R79-I90 HydrophobicContact CG-CD1 4.42Å; Q88-I90 PolarHBondContact O-N 3.06Å; I90-T92 HydrophobicContact CB-CG2 4.33Å; I90-T92 HydrophobicContact CG2-CG2 3.69Å; I90-T92 PolarHBondContact O-N 3.3Å; I90-K138 HydrophobicContact CG2-CB 4.04Å; I90-K138 HydrophobicContact CG2-CD 3.74Å; I90-K138 HydrophobicContact CG2-CG 3.62Å
91	R	92.7	Very high	93.7	Very high	198 Å²	198	46.5 Å²	46.5	75%	0.747	23%	0.229	S	C	*	.			trans	-64.8	118.9	165.4	-66.8	-175.9	-179.8	172.6	-1	108.3	Q89	Q89-R91 PolarHBondContact O-N 3.42Å
92	T	94.5	Very high	93.8	Very high	31 Å²	31	46.6 Å²	46.6	19%	0.19	23%	0.231	C	C	.	.			trans	-121	154.1	-179.6	55.2	0	0	0	0	110.5	L77 I90 M96 K138 W140	L77-T92 HydrophobicContact CB-CG2 4.35Å; L77-T92 HydrophobicContact CD2-CG2 3.91Å; I90-T92 HydrophobicContact CB-CG2 4.33Å; I90-T92 HydrophobicContact CG2-CG2 3.69Å; I90-T92 PolarHBondContact O-N 3.3Å; T92-M96 WeakPolarHBondContact OG1-CE 3.29Å; T92-K138 CarbonylContact C-O 3.54Å; T92-K138 WeakPolarHBondContact CA-O 3.37Å; T92-K138 VanDerWaalsContact CB-O 3.32Å; T92-K138 WeakPolarHBondContact CB-O 3.42Å; T92-K138 HydrophobicContact CG2-CB 4.14Å; T92-W140 PolarHBondContact OG1-NE1 3.42Å; T92-W140 VanDerWaalsContact OG1-NE1 3.08Å
93	E	95	Very high	93.9	Very high	130 Å²	130	45 Å²	45	61%	0.607	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	167.5	178.4	-63.2	177.5	-177.6	0	0	111	K138 R139 W140	E93-K138 PolarHBondContact N-O 2.79Å; E93-R139 CarbonylContact O-C 3.6Å; E93-R139 WeakPolarHBondContact O-CA 3.14Å; E93-R139 IonicContact OE2-NH1 3.4Å; E93-R139 PolarHBondContact OE2-NH1 2.78Å; E93-W140 PolarHBondContact O-N 3.34Å
94	G	95.4	Very high	94.2	Very high	45 Å²	45	44.5 Å²	44.5	46%	0.464	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	90.8	-154	170.7	0	0	0	0	0	114.3	M96 W140	G94-M96 PolarHBondContact O-N 3.07Å; G94-M96 VanDerWaalsContact O-N 3.11Å; G94-W140 WeakPolarHBondContact CA-O 3.3Å
95	Y	94.4	Very high	94.6	Very high	174 Å²	174	43.7 Å²	43.7	68%	0.682	22%	0.216	S	C	*	.			trans	-89.5	71.7	-166.8	-62.4	-82.7	0	0	0	112.5	H131 W140	Y95-H131 PolarHBondContact O-ND1 2.84Å; Y95-W140 VanDerWaalsContact C-CB 3.49Å; Y95-W140 PolarHBondContact N-O 3.2Å; Y95-W140 VanDerWaalsContact N-O 3.15Å
96	M	95.8	Very high	94.9	Very high	25 Å²	25	44.4 Å²	44.4	12%	0.123	22%	0.219	C	C	.	.			trans	-68.6	138.8	174.6	-168.7	-177.4	-66.8	0	0	110.6	F53 R75 T92 G94 W140	F53-M96 HydrophobicContact CE2-CE 4.4Å; F53-M96 HydrophobicContact CE2-CG 3.9Å; F53-M96 HydrophobicContact CE2-SD 3.7Å; F53-M96 HydrophobicContact CZ-CG 3.75Å; F53-M96 HydrophobicContact CZ-SD 4.09Å; R75-M96 HydrophobicContact CB-SD 4.28Å; R75-M96 HydrophobicContact CG-CG 4.11Å; R75-M96 HydrophobicContact CG-SD 3.25Å; R75-M96 WeakPolarHBondContact CG-SD 3.22Å; R75-M96 PolarHBondContact NH2-O 3.32Å; T92-M96 WeakPolarHBondContact OG1-CE 3.29Å; G94-M96 PolarHBondContact O-N 3.07Å; G94-M96 VanDerWaalsContact O-N 3.11Å; M96-W140 HydrophobicContact CB-CB 4.47Å; M96-W140 HydrophobicContact CB-CD2 4.23Å; M96-W140 HydrophobicContact CB-CG 4Å; M96-W140 HydrophobicContact CG-CD2 4.11Å; M96-W140 HydrophobicContact CG-CG 4.34Å; M96-W140 HydrophobicContact CG-CZ2 4.34Å
97	P	95.6	Very high	95.2	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.032	22%	0.222	C	C	.	.			trans	-63.6	160.2	178.4	25.8	-34.5	0	0	0	112.6	F53 R75 L100 V114 H131 W140	F53-P97 HydrophobicContact CE1-CG 3.63Å; F53-P97 HydrophobicContact CZ-CG 3.65Å; R75-P97 PolarHBondContact NE-O 2.71Å; P97-L100 HydrophobicContact CG-CD2 4.39Å; P97-V114 HydrophobicContact CG-CG1 4.36Å; P97-H131 HydrophobicContact CB-CB 4.44Å; P97-H131 HydrophobicContact CG-CB 4.2Å; P97-W140 HydrophobicContact CG-CZ3 4.32Å
98	T	94.6	Very high	95.3	Very high	58 Å²	58	49.6 Å²	49.6	36%	0.356	24%	0.242	S	C	.	.	S	Bend	trans	-106.4	-19.6	176.1	36	0	0	0	0	112.3	L100	T98-L100 VanDerWaalsContact C-N 3.29Å; T98-L100 PolarHBondContact O-N 3.4Å
99	E	95.4	Very high	95.3	Very high	22 Å²	22	48.9 Å²	48.9	10%	0.103	26%	0.255	C	S	.	.			trans	-88.2	67.5	-177.8	-58.2	75	-147.6	0	0	111.4	T118	E99-T118 CarbonylContact C-O 3.55Å
100	L	95.9	Very high	95.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.			trans	-89.8	-2.2	-160.3	-66.9	159.2	0	0	0	114.8	F53 G54 G55 L73 R75 P97 T98 M103 T118	F53-L100 HydrophobicContact CE1-CD2 3.7Å; F53-L100 HydrophobicContact CE2-CD2 4.15Å; F53-L100 HydrophobicContact CZ-CD2 3.38Å; G54-L100 CarbonylContact C-O 3.47Å; G54-L100 WeakPolarHBondContact CA-O 3.35Å; G55-L100 PolarHBondContact N-O 2.7Å; L73-L100 HydrophobicContact CB-CB 3.99Å; L73-L100 HydrophobicContact CB-CD1 3.92Å; L73-L100 HydrophobicContact CD1-CB 4.29Å; L73-L100 HydrophobicContact CD2-CB 4.08Å; L73-L100 HydrophobicContact CG-CB 4.35Å; R75-L100 HydrophobicContact CB-CD1 3.44Å; R75-L100 VanDerWaalsContact CB-CD1 3.44Å; R75-L100 HydrophobicContact CG-CD1 3.71Å; R75-L100 HydrophobicContact CG-CD2 4.47Å; P97-L100 HydrophobicContact CG-CD2 4.39Å; T98-L100 VanDerWaalsContact C-N 3.29Å; T98-L100 PolarHBondContact O-N 3.4Å; L100-M103 VanDerWaalsContact O-CE 3.25Å; L100-M103 WeakPolarHBondContact O-CE 3.39Å; L100-T118 PolarHBondContact N-O 3.32Å
101	A	95.4	Very high	95.6	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.017	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-103.5	138.4	169.4	0	0	0	0	0	109.3	Y56 L73 M103 G117 T118 F122	Y56-A101 HydrophobicContact CD1-CB 4.27Å; L73-A101 HydrophobicContact CD2-CB 3.76Å; A101-M103 PolarHBondContact O-N 3.14Å; A101-G117 CarbonylContact O-C 3.46Å; A101-G117 VanDerWaalsContact O-CA 3.27Å; A101-G117 WeakPolarHBondContact O-CA 3.45Å; A101-T118 HydrophobicContact CB-CG2 4.08Å; A101-T118 PolarHBondContact N-O 3.25Å; A101-T118 VanDerWaalsContact N-O 3.13Å; A101-T118 PolarHBondContact O-N 3.28Å; A101-F122 HydrophobicContact CB-CE1 3.95Å
102	S	96	Very high	95.9	Very high	8 Å²	8	41.5 Å²	41.5	6%	0.056	23%	0.232	C	C	.	.	S	Bend	trans	66.8	20.9	164.2	-47.8	0	0	0	0	115.5	G40 G155 R208	G40-S102 PolarHBondContact O-N 2.9Å; S102-G155 PolarHBondContact O-N 3.45Å; S102-R208 PolarHBondContact OG-NH1 3.47Å; S102-R208 PolarHBondContact OG-NH2 3.4Å
103	M	96.7	Very high	96	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.02	23%	0.226	C	C	.	.			trans	-69.5	165.2	167.1	60	-83.4	143.3	0	0	111.5	G40 H41 R42 L100 A101 V114 F115	G40-M103 WeakPolarHBondContact O-CE 3.45Å; H41-M103 VanDerWaalsContact CA-CE 3.44Å; R42-M103 HydrophobicContact CB-CE 4.38Å; R42-M103 WeakPolarHBondContact CD-O 3.39Å; R42-M103 HydrophobicContact CG-CE 4.04Å; R42-M103 HydrophobicContact CG-CG 4.23Å; R42-M103 WeakPolarHBondContact CG-O 3.21Å; L100-M103 VanDerWaalsContact O-CE 3.25Å; L100-M103 WeakPolarHBondContact O-CE 3.39Å; A101-M103 PolarHBondContact O-N 3.14Å; M103-V114 HydrophobicContact CB-CG1 3.88Å; M103-V114 HydrophobicContact CG-CG1 3.76Å; M103-F115 WeakPolarHBondContact CB-O 3.27Å
104	S	97.2	Very high	96.2	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	147.7	165.6	-43.6	0	0	0	0	109.5	V114 F115 Q156 M158	S104-V114 WeakPolarHBondContact O-CA 3.47Å; S104-F115 PolarHBondContact N-O 3.43Å; S104-F115 PolarHBondContact O-N 2.93Å; S104-Q156 VanDerWaalsContact OG-C 3.27Å; S104-Q156 PolarHBondContact OG-O 3.38Å; S104-M158 VanDerWaalsContact CB-CB 3.5Å; S104-M158 WeakPolarHBondContact O-CE 3.42Å
105	A	97.9	Very high	96.3	Very high	9 Å²	9	32.3 Å²	32.3	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.8	175.8	0	0	0	0	0	112	R42 L112 L113 V114	R42-A105 HydrophobicContact CB-CB 3.62Å; R42-A105 HydrophobicContact CG-CB 4.03Å; A105-L112 HydrophobicContact CB-CD1 3.97Å; A105-L113 WeakPolarHBondContact CA-O 3.31Å; A105-V114 HydrophobicContact CB-CG2 4.21Å
106	V	97.8	Very high	96.4	Very high	23 Å²	23	24.3 Å²	24.3	14%	0.139	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.6	174.5	-63	0	0	0	0	109.9	L113 M158 I160 L165	V106-L113 HydrophobicContact CG2-CB 3.94Å; V106-L113 PolarHBondContact N-O 3.01Å; V106-L113 PolarHBondContact O-N 3.14Å; V106-M158 HydrophobicContact CB-CE 4.29Å; V106-M158 HydrophobicContact CG1-CE 3.95Å; V106-M158 HydrophobicContact CG1-CG 4.33Å; V106-M158 HydrophobicContact CG2-CE 3.83Å; V106-I160 HydrophobicContact CB-CD1 4.46Å; V106-I160 HydrophobicContact CG2-CD1 3.54Å; V106-I160 HydrophobicContact CG2-CG1 3.94Å; V106-L165 HydrophobicContact CG2-CD1 3.93Å
107	L	96.9	Very high	96.3	Very high	42 Å²	42	23.1 Å²	23.1	22%	0.22	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126	173.9	-171.1	64.4	0	0	0	109.8	V44 D46 Y51 G109 L112	V44-L107 HydrophobicContact CB-CB 3.9Å; V44-L107 HydrophobicContact CG1-CB 4.36Å; V44-L107 HydrophobicContact CG2-CB 3.92Å; V44-L107 HydrophobicContact CG2-CD1 4.44Å; V44-L107 HydrophobicContact CG2-CD2 4.36Å; V44-L107 HydrophobicContact CG2-CG 4.48Å; D46-L107 HydrophobicContact CB-CD2 3.86Å; Y51-L107 HydrophobicContact CE2-CD2 4.32Å; L107-G109 WeakPolarHBondContact CG-O 2.98Å; L107-L112 HydrophobicContact CD1-CB 4.27Å
108	H	94.9	Very high	96.3	Very high	97 Å²	97	23.1 Å²	23.1	45%	0.449	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	102.7	175.3	-170.2	72.5	0	0	0	110.1	N110 N111 L113 I160	H108-N110 PolarHBondContact O-N 3.27Å; H108-N111 PolarHBondContact N-O 2.72Å; H108-N111 WeakPolarHBondContact O-CB 3.31Å; H108-N111 PolarHBondContact O-N 3.45Å; H108-L113 HydrophobicContact CB-CD1 4.35Å; H108-I160 HydrophobicContact CB-CD1 3.69Å
109	G	93.1	Very high	96.2	Very high	60 Å²	60	20.3 Å²	20.3	62%	0.619	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	-124.4	-166.3	0	0	0	0	0	110.3	L107 N111	L107-G109 WeakPolarHBondContact CG-O 2.98Å; G109-N111 VanDerWaalsContact C-N 3.33Å
110	N	94.6	Very high	95.8	Very high	76 Å²	76	22.5 Å²	22.5	41%	0.406	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	8.7	176.8	-66.7	-43.4	0	0	0	113.8	H108 N134 V135 K136	H108-N110 PolarHBondContact O-N 3.27Å; N110-N134 CarbonylContact O-C 3.59Å; N110-N134 VanDerWaalsContact O-CA 3.31Å; N110-N134 WeakPolarHBondContact O-CA 3.5Å; N110-V135 HydrophobicContact CB-CG2 4.38Å; N110-V135 WeakPolarHBondContact O-CG2 3.41Å; N110-V135 PolarHBondContact O-N 3.37Å; N110-K136 HydrophobicContact CB-CB 4.42Å
111	N	97.5	Very high	95.4	Very high	55 Å²	55	26 Å²	26	29%	0.294	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111.7	-175	-60.7	-51.3	0	0	0	109.8	H108 G109 L113 V132 C133 N134	H108-N111 PolarHBondContact N-O 2.72Å; H108-N111 WeakPolarHBondContact O-CB 3.31Å; H108-N111 PolarHBondContact O-N 3.45Å; G109-N111 VanDerWaalsContact C-N 3.33Å; N111-L113 HydrophobicContact CB-CD1 3.85Å; N111-L113 VanDerWaalsContact O-CD1 3.31Å; N111-L113 WeakPolarHBondContact O-CD1 3.46Å; N111-V132 HydrophobicContact CB-CG1 3.77Å; N111-C133 WeakPolarHBondContact CA-O 3.23Å; N111-N134 PolarHBondContact OD1-ND2 2.87Å
112	L	98.3	Very high	95	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	111.7	167.3	166.1	61.6	0	0	0	107.9	V44 F53 L77 A105 L107 V114 V132 C133 V135 W140	V44-L112 HydrophobicContact CG1-CD1 4.33Å; V44-L112 HydrophobicContact CG2-CD1 3.87Å; F53-L112 HydrophobicContact CB-CD2 4.45Å; L77-L112 HydrophobicContact CD1-CD2 3.96Å; A105-L112 HydrophobicContact CB-CD1 3.97Å; L107-L112 HydrophobicContact CD1-CB 4.27Å; L112-V114 HydrophobicContact CD1-CG2 4.21Å; L112-V114 HydrophobicContact CG-CG2 4.07Å; L112-V132 CarbonylContact O-C 3.41Å; L112-V132 WeakPolarHBondContact O-CA 3.34Å; L112-C133 HydrophobicContact CB-CB 4.18Å; L112-C133 HydrophobicContact CD2-CB 4.47Å; L112-C133 PolarHBondContact N-O 3.11Å; L112-C133 PolarHBondContact O-N 3.15Å; L112-V135 HydrophobicContact CB-CG1 4.12Å; L112-W140 HydrophobicContact CD2-CH2 4.05Å; L112-W140 HydrophobicContact CD2-CZ2 4.46Å
113	L	98.5	Very high	94.3	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130	174.8	-76.8	70.7	0	0	0	108.5	A105 V106 H108 N111 V130 H131 V132 I160 L165 L185	A105-L113 WeakPolarHBondContact CA-O 3.31Å; V106-L113 HydrophobicContact CG2-CB 3.94Å; V106-L113 PolarHBondContact N-O 3.01Å; V106-L113 PolarHBondContact O-N 3.14Å; H108-L113 HydrophobicContact CB-CD1 4.35Å; N111-L113 HydrophobicContact CB-CD1 3.85Å; N111-L113 VanDerWaalsContact O-CD1 3.31Å; N111-L113 WeakPolarHBondContact O-CD1 3.46Å; L113-V130 HydrophobicContact CD2-CG1 4.48Å; L113-H131 CarbonylContact C-O 3.56Å; L113-H131 WeakPolarHBondContact CA-O 3.47Å; L113-V132 HydrophobicContact CD1-CG1 4.31Å; L113-V132 HydrophobicContact CG-CG2 4.21Å; L113-I160 HydrophobicContact CD2-CD1 4.42Å; L113-L165 HydrophobicContact CD2-CD2 4.39Å; L113-L185 HydrophobicContact CD2-CD2 3.84Å
114	V	98.4	Very high	93.8	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.3	177	-179.4	0	0	0	0	108.9	F53 P97 M103 S104 A105 L112 H131 W140	F53-V114 HydrophobicContact CD1-CG2 3.99Å; F53-V114 HydrophobicContact CE1-CG1 4.31Å; F53-V114 HydrophobicContact CE1-CG2 4.17Å; P97-V114 HydrophobicContact CG-CG1 4.36Å; M103-V114 HydrophobicContact CB-CG1 3.88Å; M103-V114 HydrophobicContact CG-CG1 3.76Å; S104-V114 WeakPolarHBondContact O-CA 3.47Å; A105-V114 HydrophobicContact CB-CG2 4.21Å; L112-V114 HydrophobicContact CD1-CG2 4.21Å; L112-V114 HydrophobicContact CG-CG2 4.07Å; V114-H131 HydrophobicContact CB-CB 4.46Å; V114-H131 PolarHBondContact N-O 2.85Å; V114-H131 PolarHBondContact O-N 3.35Å; V114-W140 HydrophobicContact CB-CZ3 4.42Å; V114-W140 HydrophobicContact CG2-CH2 3.91Å; V114-W140 HydrophobicContact CG2-CZ3 3.93Å
115	F	97.8	Very high	93.5	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.3	-178.7	-175.8	-96.6	0	0	0	111.8	M103 S104 N128 D129 V130 P150 M158 V167 W190	M103-F115 WeakPolarHBondContact CB-O 3.27Å; S104-F115 PolarHBondContact N-O 3.43Å; S104-F115 PolarHBondContact O-N 2.93Å; F115-N128 VanDerWaalsContact CE2-C 3.48Å; F115-N128 VanDerWaalsContact CE2-O 3.24Å; F115-N128 WeakPolarHBondContact CE2-O 3.32Å; F115-N128 HydrophobicContact CZ-CB 4.28Å; F115-D129 WeakPolarHBondContact CD2-O 3.41Å; F115-V130 HydrophobicContact CD2-CG2 3.57Å; F115-V130 HydrophobicContact CE2-CG2 4.09Å; F115-P150 HydrophobicContact CE1-CB 4.27Å; F115-P150 HydrophobicContact CE1-CG 4.1Å; F115-P150 HydrophobicContact CE2-CG 4.42Å; F115-P150 HydrophobicContact CZ-CB 3.86Å; F115-P150 HydrophobicContact CZ-CG 3.54Å; F115-M158 HydrophobicContact CB-CE 4.31Å; F115-M158 HydrophobicContact CB-SD 3.63Å; F115-M158 HydrophobicContact CG-SD 4.46Å; F115-V167 HydrophobicContact CD1-CG1 3.91Å; F115-V167 HydrophobicContact CD1-CG2 3.9Å; F115-V167 HydrophobicContact CE1-CB 4.44Å; F115-V167 HydrophobicContact CE1-CG1 3.81Å; F115-V167 HydrophobicContact CE1-CG2 4.18Å; F115-V167 HydrophobicContact CG-CG2 4.42Å; F115-W190 HydrophobicContact CD2-CZ2 4.12Å; F115-W190 HydrophobicContact CE2-CH2 4.24Å; F115-W190 AromaticContact CE2-CZ2 3.74Å; F115-W190 HydrophobicContact CE2-CZ2 3.74Å; F115-W190 HydrophobicContact CZ-CH2 4.46Å; F115-W190 HydrophobicContact CZ-CZ2 4.32Å
116	G	95.1	Very high	93.3	Very high	7 Å²	7	40.2 Å²	40.2	7%	0.072	23%	0.225	C	C	.	.			trans	68.3	-152.3	176.3	0	0	0	0	0	112.5	G127	G116-G127 WeakPolarHBondContact CA-O 3.41Å
117	G	95.4	Very high	93	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.			trans	97	176.4	-178	0	0	0	0	0	112.5	A101 N126 G127 I153	A101-G117 CarbonylContact O-C 3.46Å; A101-G117 VanDerWaalsContact O-CA 3.27Å; A101-G117 WeakPolarHBondContact O-CA 3.45Å; G117-N126 WeakPolarHBondContact O-CA 3.44Å; G117-G127 PolarHBondContact O-N 2.87Å; G117-I153 PolarHBondContact N-O 3.43Å
118	T	94.9	Very high	92.9	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.025	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-127.4	135	179	178.1	0	0	0	0	110.1	E99 L100 A101 F122 G123 N125 N126 Y154	E99-T118 CarbonylContact C-O 3.55Å; L100-T118 PolarHBondContact N-O 3.32Å; A101-T118 HydrophobicContact CB-CG2 4.08Å; A101-T118 PolarHBondContact N-O 3.25Å; A101-T118 VanDerWaalsContact N-O 3.13Å; A101-T118 PolarHBondContact O-N 3.28Å; T118-F122 HydrophobicContact CG2-CD1 3.78Å; T118-F122 HydrophobicContact CG2-CE1 4.47Å; T118-F122 WeakPolarHBondContact OG1-CA 3.49Å; T118-G123 PolarHBondContact OG1-N 3.04Å; T118-N125 CarbonylContact C-O 3.58Å; T118-N125 WeakPolarHBondContact CA-O 3.33Å; T118-N126 WeakPolarHBondContact CB-OD1 3.3Å; T118-N126 PolarHBondContact OG1-OD1 3.3Å; T118-Y154 HydrophobicContact CG2-CD1 4.34Å; T118-Y154 HydrophobicContact CG2-CD2 4.28Å; T118-Y154 HydrophobicContact CG2-CG 4.03Å
119	G	92.7	Very high	93	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.			trans	-92.8	-166.8	164.8	0	0	0	0	0	110.7	P121 F122 N125	G119-P121 CarbonylContact O-C 3.59Å; G119-P121 VanDerWaalsContact O-C 3.26Å; G119-P121 VanDerWaalsContact O-O 3.12Å; G119-F122 WeakPolarHBondContact O-CA 3.27Å; G119-F122 WeakPolarHBondContact O-CD1 3.33Å; G119-F122 PolarHBondContact O-N 3.07Å; G119-N125 PolarHBondContact N-O 3.03Å
120	I	87.6	Confident	93.2	Very high	68 Å²	68	32.8 Å²	32.8	35%	0.349	18%	0.175	S	C	.	.	S	Bend	trans	-96.1	139.1	175.3	-58.2	152.9	0	0	0	108.6	Y71 P72 L73 F122 N125	Y71-I120 WeakPolarHBondContact O-CD1 3.29Å; P72-I120 VanDerWaalsContact CD-CD1 3.43Å; L73-I120 HydrophobicContact CD1-CD1 3.96Å; L73-I120 HydrophobicContact CD1-CG1 3.94Å; L73-I120 HydrophobicContact CG-CD1 4.1Å; L73-I120 HydrophobicContact CG-CG1 4.27Å; I120-F122 HydrophobicContact CG1-CZ 4.29Å; I120-N125 PolarHBondContact O-ND2 3.47Å
121	P	87	Confident	93.4	Very high	72 Å²	72	30.2 Å²	30.2	47%	0.468	16%	0.16	S	C	.	.	S	Bend	cis	-63.8	142	-11.7	-20.6	33.9	0	0	0	113	G119 G123 E124 N125	G119-P121 CarbonylContact O-C 3.59Å; G119-P121 VanDerWaalsContact O-C 3.26Å; G119-P121 VanDerWaalsContact O-O 3.12Å; P121-G123 PolarHBondContact O-N 2.88Å; P121-E124 HydrophobicContact CB-CB 4.37Å; P121-E124 PolarHBondContact O-N 3.45Å; P121-N125 PolarHBondContact O-N 2.72Å; P121-N125 VanDerWaalsContact O-N 3.1Å
122	F	85.9	Confident	93.5	Very high	97 Å²	97	28.4 Å²	28.4	43%	0.425	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	133	-175.3	-67.7	-62.4	0	0	0	112.3	Y56 P72 L73 A101 T118 G119 I120 E124	Y56-F122 HydrophobicContact CD2-CZ 4.37Å; Y56-F122 HydrophobicContact CG-CZ 4.42Å; P72-F122 HydrophobicContact CG-CZ 4.45Å; L73-F122 HydrophobicContact CD2-CE1 3.82Å; L73-F122 HydrophobicContact CD2-CZ 4.11Å; A101-F122 HydrophobicContact CB-CE1 3.95Å; T118-F122 HydrophobicContact CG2-CD1 3.78Å; T118-F122 HydrophobicContact CG2-CE1 4.47Å; T118-F122 WeakPolarHBondContact OG1-CA 3.49Å; G119-F122 WeakPolarHBondContact O-CA 3.27Å; G119-F122 WeakPolarHBondContact O-CD1 3.33Å; G119-F122 PolarHBondContact O-N 3.07Å; I120-F122 HydrophobicContact CG1-CZ 4.29Å; F122-E124 PolarHBondContact O-N 2.95Å
123	G	82.4	Confident	93.5	Very high	12 Å²	12	28.2 Å²	28.2	12%	0.124	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-18.2	-177.5	0	0	0	0	0	114.4	T118 P121 N126	T118-G123 PolarHBondContact OG1-N 3.04Å; P121-G123 PolarHBondContact O-N 2.88Å; G123-N126 PolarHBondContact O-ND2 2.7Å
124	E	86.4	Confident	93.4	Very high	145 Å²	145	29.1 Å²	29.1	68%	0.678	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-42.4	176.9	-63.1	-178.5	-164.9	0	0	111.5	P121 F122 N126	P121-E124 HydrophobicContact CB-CB 4.37Å; P121-E124 PolarHBondContact O-N 3.45Å; F122-E124 PolarHBondContact O-N 2.95Å; E124-N126 PolarHBondContact O-N 3.22Å
125	N	90.4	Very high	93.2	Very high	61 Å²	61	29 Å²	29	33%	0.326	16%	0.155	S	C	.	.	S	Bend	trans	-95.4	78.8	179.5	-170.6	13.5	0	0	0	111.1	T118 G119 I120 P121	T118-N125 CarbonylContact C-O 3.58Å; T118-N125 WeakPolarHBondContact CA-O 3.33Å; G119-N125 PolarHBondContact N-O 3.03Å; I120-N125 PolarHBondContact O-ND2 3.47Å; P121-N125 PolarHBondContact O-N 2.72Å; P121-N125 VanDerWaalsContact O-N 3.1Å
126	N	92.9	Very high	92.9	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.053	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-103.3	145.4	-177.5	-57.7	-37.2	0	0	0	113	G117 T118 G123 E124 R152 Y154	G117-N126 WeakPolarHBondContact O-CA 3.44Å; T118-N126 WeakPolarHBondContact CB-OD1 3.3Å; T118-N126 PolarHBondContact OG1-OD1 3.3Å; G123-N126 PolarHBondContact O-ND2 2.7Å; E124-N126 PolarHBondContact O-N 3.22Å; N126-R152 VanDerWaalsContact CB-C 3.45Å; N126-R152 HydrophobicContact CB-CB 3.91Å; N126-R152 VanDerWaalsContact CB-O 3.32Å; N126-R152 WeakPolarHBondContact CB-O 3.07Å; N126-R152 PolarHBondContact ND2-O 3.18Å; N126-R152 WeakPolarHBondContact O-CB 3.46Å; N126-R152 WeakPolarHBondContact O-CD 3.4Å; N126-R152 WeakPolarHBondContact O-CG 3.32Å; N126-R152 PolarHBondContact O-NH1 3.08Å; N126-R152 VanDerWaalsContact O-NH1 3.13Å; N126-Y154 WeakPolarHBondContact OD1-CD1 3.43Å
127	G	92.4	Very high	92.9	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	21%	0.208	C	C	.	.			trans	-93.1	151.2	-179.1	0	0	0	0	0	112.1	G116 G117	G116-G127 WeakPolarHBondContact CA-O 3.41Å; G117-G127 PolarHBondContact O-N 2.87Å
128	N	95.4	Very high	92.9	Very high	19 Å²	19	46.2 Å²	46.2	10%	0.102	22%	0.224	C	C	.	.			trans	-144.9	22.2	164.7	70.2	-22	0	0	0	112.2	F115 P150 R152	F115-N128 VanDerWaalsContact CE2-C 3.48Å; F115-N128 VanDerWaalsContact CE2-O 3.24Å; F115-N128 WeakPolarHBondContact CE2-O 3.32Å; F115-N128 HydrophobicContact CZ-CB 4.28Å; N128-P150 WeakPolarHBondContact CB-O 3.42Å; N128-P150 PolarHBondContact ND2-O 2.86Å; N128-R152 HydrophobicContact CB-CG 3.89Å; N128-R152 VanDerWaalsContact OD1-CZ 3.32Å; N128-R152 PolarHBondContact OD1-NH2 2.86Å
129	D	96.4	Very high	93	Very high	41 Å²	41	52.6 Å²	52.6	22%	0.219	25%	0.248	C	C	.	.			trans	-98.4	151.5	175.8	-78.1	-41	0	0	0	110.5	F115 L142 K149	F115-D129 WeakPolarHBondContact CD2-O 3.41Å; D129-L142 HydrophobicContact CB-CD1 3.65Å; D129-K149 IonicContact OD1-NZ 2.66Å; D129-K149 PolarHBondContact OD1-NZ 3.33Å
130	V	97.9	Very high	93.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.8	176.2	179.1	0	0	0	0	108	L113 F115 V132 L143 L183 W190	L113-V130 HydrophobicContact CD2-CG1 4.48Å; F115-V130 HydrophobicContact CD2-CG2 3.57Å; F115-V130 HydrophobicContact CE2-CG2 4.09Å; V130-V132 HydrophobicContact CG1-CG2 4.25Å; V130-L143 HydrophobicContact CB-CB 4.05Å; V130-L143 HydrophobicContact CB-CD2 4.32Å; V130-L143 HydrophobicContact CG1-CB 4.05Å; V130-L143 HydrophobicContact CG1-CD2 3.88Å; V130-L143 WeakPolarHBondContact O-CB 3.39Å; V130-L143 PolarHBondContact O-N 3.4Å; V130-L183 HydrophobicContact CG2-CD2 3.92Å; V130-W190 HydrophobicContact CG2-CZ2 3.62Å
131	H	98.3	Very high	93.7	Very high	22 Å²	22	52.2 Å²	52.2	10%	0.102	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138	173.2	-68	-100	0	0	0	109.8	Y95 P97 L113 V114 W140	Y95-H131 PolarHBondContact O-ND1 2.84Å; P97-H131 HydrophobicContact CB-CB 4.44Å; P97-H131 HydrophobicContact CG-CB 4.2Å; L113-H131 CarbonylContact C-O 3.56Å; L113-H131 WeakPolarHBondContact CA-O 3.47Å; V114-H131 HydrophobicContact CB-CB 4.46Å; V114-H131 PolarHBondContact N-O 2.85Å; V114-H131 PolarHBondContact O-N 3.35Å; H131-W140 HydrophobicContact CB-CE3 4.05Å; H131-W140 HydrophobicContact CB-CZ3 4.08Å
132	V	98.3	Very high	94.2	Very high	17 Å²	17	51.9 Å²	51.9	10%	0.103	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.5	-179.9	-171.4	0	0	0	0	109.2	N111 L112 L113 V130 W140 S141 L143	N111-V132 HydrophobicContact CB-CG1 3.77Å; L112-V132 CarbonylContact O-C 3.41Å; L112-V132 WeakPolarHBondContact O-CA 3.34Å; L113-V132 HydrophobicContact CD1-CG1 4.31Å; L113-V132 HydrophobicContact CG-CG2 4.21Å; V130-V132 HydrophobicContact CG1-CG2 4.25Å; V132-W140 CarbonylContact O-C 3.59Å; V132-W140 WeakPolarHBondContact O-CA 3.21Å; V132-S141 PolarHBondContact N-O 2.88Å; V132-S141 PolarHBondContact O-N 2.83Å; V132-S141 PolarHBondContact O-OG 2.76Å; V132-L143 HydrophobicContact CG2-CB 3.98Å
133	C	98.4	Very high	94.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.2	167.5	-176.5	0	0	0	0	109.5	N111 L112 V135 R139 W140	N111-C133 WeakPolarHBondContact CA-O 3.23Å; L112-C133 HydrophobicContact CB-CB 4.18Å; L112-C133 HydrophobicContact CD2-CB 4.47Å; L112-C133 PolarHBondContact N-O 3.11Å; L112-C133 PolarHBondContact O-N 3.15Å; C133-V135 PolarHBondContact O-N 3.03Å; C133-R139 WeakPolarHBondContact CA-O 3.24Å; C133-W140 HydrophobicContact CB-CD2 3.5Å; C133-W140 VanDerWaalsContact CB-CD2 3.5Å; C133-W140 VanDerWaalsContact CB-CE2 3.48Å; C133-W140 HydrophobicContact CB-CE3 3.6Å; C133-W140 HydrophobicContact CB-CG 4.17Å; C133-W140 HydrophobicContact CB-CH2 3.69Å; C133-W140 HydrophobicContact CB-CZ2 3.59Å; C133-W140 HydrophobicContact CB-CZ3 3.7Å
134	N	97.6	Very high	95.4	Very high	27 Å²	27	53.7 Å²	53.7	14%	0.144	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	109.7	163.9	-170.6	-77.7	0	0	0	108.7	N110 N111 K136 Y137 K138 R139	N110-N134 CarbonylContact O-C 3.59Å; N110-N134 VanDerWaalsContact O-CA 3.31Å; N110-N134 WeakPolarHBondContact O-CA 3.5Å; N111-N134 PolarHBondContact OD1-ND2 2.87Å; N134-K136 VanDerWaalsContact C-N 3.26Å; N134-K136 PolarHBondContact O-N 2.99Å; N134-K136 WeakPolarHBondContact OD1-CB 3.4Å; N134-K136 PolarHBondContact OD1-N 3.38Å; N134-Y137 HydrophobicContact CB-CD2 4.02Å; N134-Y137 CarbonylContact O-C 3.51Å; N134-Y137 PolarHBondContact O-N 2.77Å; N134-Y137 WeakPolarHBondContact OD1-CD2 3.28Å; N134-Y137 PolarHBondContact OD1-N 2.86Å; N134-K138 WeakPolarHBondContact O-CA 3.29Å; N134-K138 PolarHBondContact O-N 3.08Å; N134-R139 PolarHBondContact N-O 2.76Å; N134-R139 PolarHBondContact O-N 3.21Å
135	V	94.8	Very high	95.9	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-22.1	-173.3	-60.2	0	0	0	0	113.2	Y51 N110 L112 C133	Y51-V135 HydrophobicContact CD1-CG1 4.19Å; Y51-V135 HydrophobicContact CE1-CB 3.86Å; Y51-V135 HydrophobicContact CE1-CG1 3.99Å; Y51-V135 HydrophobicContact CE1-CG2 4.21Å; Y51-V135 HydrophobicContact CE2-CG2 4.43Å; N110-V135 HydrophobicContact CB-CG2 4.38Å; N110-V135 WeakPolarHBondContact O-CG2 3.41Å; N110-V135 PolarHBondContact O-N 3.37Å; L112-V135 HydrophobicContact CB-CG1 4.12Å; C133-V135 PolarHBondContact O-N 3.03Å
136	K	91.3	Very high	96.2	Very high	123 Å²	123	50.7 Å²	50.7	54%	0.535	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-47.2	174.3	-177.4	176.5	-178.6	173.4	0	111.4	N110 N134 K138	N110-K136 HydrophobicContact CB-CB 4.42Å; N134-K136 VanDerWaalsContact C-N 3.26Å; N134-K136 PolarHBondContact O-N 2.99Å; N134-K136 WeakPolarHBondContact OD1-CB 3.4Å; N134-K136 PolarHBondContact OD1-N 3.38Å; K136-K138 VanDerWaalsContact C-N 3.33Å
137	Y	93.8	Very high	96.4	Very high	170 Å²	170	52.5 Å²	52.5	67%	0.667	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.7	178.4	-55.9	-52.1	0	0	0	113.7	N134 R139	N134-Y137 HydrophobicContact CB-CD2 4.02Å; N134-Y137 CarbonylContact O-C 3.51Å; N134-Y137 PolarHBondContact O-N 2.77Å; N134-Y137 WeakPolarHBondContact OD1-CD2 3.28Å; N134-Y137 PolarHBondContact OD1-N 2.86Å; Y137-R139 PolarHBondContact O-N 3.4Å
138	K	95.4	Very high	96.6	Very high	75 Å²	75	57.4 Å²	57.4	33%	0.326	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	39.8	178.3	-53.6	174.3	-175.5	171.5	0	112.3	I90 T92 E93 N134 K136	I90-K138 HydrophobicContact CG2-CB 4.04Å; I90-K138 HydrophobicContact CG2-CD 3.74Å; I90-K138 HydrophobicContact CG2-CG 3.62Å; T92-K138 CarbonylContact C-O 3.54Å; T92-K138 WeakPolarHBondContact CA-O 3.37Å; T92-K138 VanDerWaalsContact CB-O 3.32Å; T92-K138 WeakPolarHBondContact CB-O 3.42Å; T92-K138 HydrophobicContact CG2-CB 4.14Å; E93-K138 PolarHBondContact N-O 2.79Å; N134-K138 WeakPolarHBondContact O-CA 3.29Å; N134-K138 PolarHBondContact O-N 3.08Å; K136-K138 VanDerWaalsContact C-N 3.33Å
139	R	97.3	Very high	96.6	Very high	139 Å²	139	59.8 Å²	59.8	53%	0.525	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128	-174	-168	176.5	-178.5	106.7	-4.8	111.4	E93 C133 N134 Y137	E93-R139 CarbonylContact O-C 3.6Å; E93-R139 WeakPolarHBondContact O-CA 3.14Å; E93-R139 IonicContact OE2-NH1 3.4Å; E93-R139 PolarHBondContact OE2-NH1 2.78Å; C133-R139 WeakPolarHBondContact CA-O 3.24Å; N134-R139 PolarHBondContact N-O 2.76Å; N134-R139 PolarHBondContact O-N 3.21Å; Y137-R139 PolarHBondContact O-N 3.4Å
140	W	98.4	Very high	96.5	Very high	2 Å²	2	58 Å²	58	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	141.4	171.7	-67.7	89.6	0	0	0	111.2	F53 T92 E93 G94 Y95 M96 P97 L112 V114 H131 V132 C133	F53-W140 AromaticContact CD1-CH2 3.96Å; F53-W140 HydrophobicContact CD1-CH2 3.96Å; F53-W140 HydrophobicContact CD1-CZ2 4.47Å; F53-W140 HydrophobicContact CD2-CH2 4.05Å; F53-W140 AromaticContact CD2-CZ2 3.72Å; F53-W140 HydrophobicContact CD2-CZ2 3.72Å; F53-W140 AromaticContact CE1-CH2 3.69Å; F53-W140 HydrophobicContact CE1-CH2 3.69Å; F53-W140 HydrophobicContact CE1-CZ2 4.21Å; F53-W140 HydrophobicContact CE1-CZ3 4.42Å; F53-W140 AromaticContact CE2-CH2 3.8Å; F53-W140 HydrophobicContact CE2-CH2 3.8Å; F53-W140 AromaticContact CE2-CZ2 3.42Å; F53-W140 HydrophobicContact CE2-CZ2 3.42Å; F53-W140 VanDerWaalsContact CE2-CZ2 3.42Å; F53-W140 HydrophobicContact CG-CH2 4.13Å; F53-W140 HydrophobicContact CG-CZ2 4.25Å; F53-W140 AromaticContact CZ-CH2 3.61Å; F53-W140 HydrophobicContact CZ-CH2 3.61Å; F53-W140 AromaticContact CZ-CZ2 3.69Å; F53-W140 HydrophobicContact CZ-CZ2 3.69Å; F53-W140 HydrophobicContact CZ-CZ3 4.38Å; T92-W140 PolarHBondContact OG1-NE1 3.42Å; T92-W140 VanDerWaalsContact OG1-NE1 3.08Å; E93-W140 PolarHBondContact O-N 3.34Å; G94-W140 WeakPolarHBondContact CA-O 3.3Å; Y95-W140 VanDerWaalsContact C-CB 3.49Å; Y95-W140 PolarHBondContact N-O 3.2Å; Y95-W140 VanDerWaalsContact N-O 3.15Å; M96-W140 HydrophobicContact CB-CB 4.47Å; M96-W140 HydrophobicContact CB-CD2 4.23Å; M96-W140 HydrophobicContact CB-CG 4Å; M96-W140 HydrophobicContact CG-CD2 4.11Å; M96-W140 HydrophobicContact CG-CG 4.34Å; M96-W140 HydrophobicContact CG-CZ2 4.34Å; P97-W140 HydrophobicContact CG-CZ3 4.32Å; L112-W140 HydrophobicContact CD2-CH2 4.05Å; L112-W140 HydrophobicContact CD2-CZ2 4.46Å; V114-W140 HydrophobicContact CB-CZ3 4.42Å; V114-W140 HydrophobicContact CG2-CH2 3.91Å; V114-W140 HydrophobicContact CG2-CZ3 3.93Å; H131-W140 HydrophobicContact CB-CE3 4.05Å; H131-W140 HydrophobicContact CB-CZ3 4.08Å; V132-W140 CarbonylContact O-C 3.59Å; V132-W140 WeakPolarHBondContact O-CA 3.21Å; C133-W140 HydrophobicContact CB-CD2 3.5Å; C133-W140 VanDerWaalsContact CB-CD2 3.5Å; C133-W140 VanDerWaalsContact CB-CE2 3.48Å; C133-W140 HydrophobicContact CB-CE3 3.6Å; C133-W140 HydrophobicContact CB-CG 4.17Å; C133-W140 HydrophobicContact CB-CH2 3.69Å; C133-W140 HydrophobicContact CB-CZ2 3.59Å; C133-W140 HydrophobicContact CB-CZ3 3.7Å
141	S	97.8	Very high	96.3	Very high	58 Å²	58	62.9 Å²	62.9	41%	0.406	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.8	172.3	57.7	0	0	0	0	109.8	V132	V132-S141 PolarHBondContact N-O 2.88Å; V132-S141 PolarHBondContact O-N 2.83Å; V132-S141 PolarHBondContact O-OG 2.76Å
142	L	97.4	Very high	96.2	Very high	65 Å²	65	68.2 Å²	68.2	34%	0.34	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.6	167.4	179.7	63.1	0	0	0	108.5	D129 N144	D129-L142 HydrophobicContact CB-CD1 3.65Å; L142-N144 PolarHBondContact O-N 3.4Å
143	L	96.6	Very high	96	Very high	25 Å²	25	67.9 Å²	67.9	13%	0.131	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	107.3	171.3	-171.7	67.8	0	0	0	108.5	V130 V132 C145 L183 R188	V130-L143 HydrophobicContact CB-CB 4.05Å; V130-L143 HydrophobicContact CB-CD2 4.32Å; V130-L143 HydrophobicContact CG1-CB 4.05Å; V130-L143 HydrophobicContact CG1-CD2 3.88Å; V130-L143 WeakPolarHBondContact O-CB 3.39Å; V130-L143 PolarHBondContact O-N 3.4Å; V132-L143 HydrophobicContact CG2-CB 3.98Å; L143-C145 VanDerWaalsContact C-N 3.34Å; L143-C145 PolarHBondContact O-N 3.49Å; L143-C145 PolarHBondContact O-SG 2.84Å; L143-C145 VanDerWaalsContact O-SG 3.36Å; L143-L183 HydrophobicContact CD2-CD2 4.16Å; L143-R188 HydrophobicContact CD1-CG 4.14Å; L143-R188 HydrophobicContact CG-CG 4.45Å
144	N	95.9	Very high	95.8	Very high	121 Å²	121	69.6 Å²	69.6	65%	0.647	33%	0.327	S	S	*	.			trans	-67.7	92.1	177	-67.9	-22.4	0	0	0	110.2	L142	L142-N144 PolarHBondContact O-N 3.4Å
145	C	97.1	Very high	95.7	Very high	16 Å²	16	68.5 Å²	68.5	11%	0.108	32%	0.322	C	S	.	.			trans	-96	143.7	176.5	-55.1	0	0	0	0	111.6	L143 K149 L183 R188 W190	L143-C145 VanDerWaalsContact C-N 3.34Å; L143-C145 PolarHBondContact O-N 3.49Å; L143-C145 PolarHBondContact O-SG 2.84Å; L143-C145 VanDerWaalsContact O-SG 3.36Å; C145-K149 VanDerWaalsContact O-CE 3.23Å; C145-K149 WeakPolarHBondContact O-CE 3.3Å; C145-L183 HydrophobicContact CB-CD1 4.16Å; C145-R188 CarbonylContact C-O 3.58Å; C145-R188 VanDerWaalsContact CA-O 3.24Å; C145-R188 WeakPolarHBondContact CA-O 3.45Å; C145-W190 VanDerWaalsContact CB-CD1 3.4Å
146	R	96.9	Very high	95.8	Very high	128 Å²	128	68.9 Å²	68.9	48%	0.483	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-176	172.5	68.9	173.2	-175.2	-76.5	-7.7	111	T187 R188 E189 W190	R146-T187 PolarHBondContact NH1-O 2.8Å; R146-T187 PolarHBondContact NH2-O 2.8Å; R146-R188 PolarHBondContact N-O 3.45Å; R146-E189 HydrophobicContact CG-CB 4.22Å; R146-E189 HydrophobicContact CG-CG 4.22Å; R146-E189 IonicContact CZ-OE2 2.72Å; R146-E189 IonicContact NE-OE2 3.34Å; R146-E189 PolarHBondContact NE-OE2 3.17Å; R146-E189 IonicContact NH2-OE2 3.14Å; R146-E189 PolarHBondContact NH2-OE2 2.95Å; R146-W190 PolarHBondContact O-N 2.97Å
147	G	97.1	Very high	96.1	Very high	47 Å²	47	63.1 Å²	63.1	49%	0.485	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.2	-160.1	176.8	0	0	0	0	0	112.6	K149 W190	G147-K149 PolarHBondContact O-N 3.31Å; G147-K149 VanDerWaalsContact O-N 3.11Å; G147-W190 CarbonylContact C-O 3.52Å; G147-W190 WeakPolarHBondContact CA-O 3.27Å
148	K	96.6	Very high	96.3	Very high	107 Å²	107	56 Å²	56	47%	0.465	27%	0.272	S	S	.	.	S	Bend	trans	-85.6	85.4	-174.7	-171.7	170.2	174.1	-167.9	0	110.3	H181 W190 H192	K148-H181 PolarHBondContact O-CD2 2.99Å; K148-W190 PolarHBondContact N-O 2.93Å; K148-W190 WeakPolarHBondContact O-CB 3.12Å; K148-H192 HydrophobicContact CD-CB 3.63Å; K148-H192 HydrophobicContact CG-CB 4.15Å; K148-H192 PolarHBondContact NZ-ND1 2.98Å; K148-H192 VanDerWaalsContact NZ-ND1 3.19Å
149	K	94.7	Very high	96.4	Very high	69 Å²	69	53.2 Å²	53.2	30%	0.3	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-61.3	148.9	177.5	-70.1	-171.9	175.5	-172.8	0	111.6	D129 C145 G147 W190	D129-K149 IonicContact OD1-NZ 2.66Å; D129-K149 PolarHBondContact OD1-NZ 3.33Å; C145-K149 VanDerWaalsContact O-CE 3.23Å; C145-K149 WeakPolarHBondContact O-CE 3.3Å; G147-K149 PolarHBondContact O-N 3.31Å; G147-K149 VanDerWaalsContact O-N 3.11Å; K149-W190 HydrophobicContact CG-CG 4.3Å
150	P	95.3	Very high	96.4	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.019	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-59.5	157.6	168.3	-18.7	30.5	0	0	0	112	F115 N128 H181 W190	F115-P150 HydrophobicContact CE1-CB 4.27Å; F115-P150 HydrophobicContact CE1-CG 4.1Å; F115-P150 HydrophobicContact CE2-CG 4.42Å; F115-P150 HydrophobicContact CZ-CB 3.86Å; F115-P150 HydrophobicContact CZ-CG 3.54Å; N128-P150 WeakPolarHBondContact CB-O 3.42Å; N128-P150 PolarHBondContact ND2-O 2.86Å; P150-H181 HydrophobicContact CG-CB 3.68Å; P150-W190 HydrophobicContact CG-CD2 4.45Å; P150-W190 HydrophobicContact CG-CE3 4.09Å; P150-W190 HydrophobicContact CG-CH2 4.19Å; P150-W190 HydrophobicContact CG-CZ3 3.96Å
151	N	93.8	Very high	96.4	Very high	104 Å²	104	48.2 Å²	48.2	56%	0.556	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-63.7	157.5	171.2	-67.9	-36.5	0	0	0	111.3	I153	N151-I153 HydrophobicContact CB-CG2 4.2Å; N151-I153 PolarHBondContact O-N 2.86Å
152	R	94.9	Very high	96.3	Very high	134 Å²	134	52 Å²	52	51%	0.506	26%	0.26	S	S	.	.	S	Bend	trans	-72.8	92.8	174.8	-69.9	178.7	177.8	-82.8	-5	110.1	N126 N128	N126-R152 VanDerWaalsContact CB-C 3.45Å; N126-R152 HydrophobicContact CB-CB 3.91Å; N126-R152 VanDerWaalsContact CB-O 3.32Å; N126-R152 WeakPolarHBondContact CB-O 3.07Å; N126-R152 PolarHBondContact ND2-O 3.18Å; N126-R152 WeakPolarHBondContact O-CB 3.46Å; N126-R152 WeakPolarHBondContact O-CD 3.4Å; N126-R152 WeakPolarHBondContact O-CG 3.32Å; N126-R152 PolarHBondContact O-NH1 3.08Å; N126-R152 VanDerWaalsContact O-NH1 3.13Å; N128-R152 HydrophobicContact CB-CG 3.89Å; N128-R152 VanDerWaalsContact OD1-CZ 3.32Å; N128-R152 PolarHBondContact OD1-NH2 2.86Å
153	I	94.1	Very high	96.2	Very high	11 Å²	11	50.3 Å²	50.3	6%	0.056	26%	0.259	C	S	.	.			trans	-139.6	167.5	-176.6	64.7	-176.2	0	0	0	110.8	G117 N151 Q156 G169 T171 T172	G117-I153 PolarHBondContact N-O 3.43Å; N151-I153 HydrophobicContact CB-CG2 4.2Å; N151-I153 PolarHBondContact O-N 2.86Å; I153-Q156 HydrophobicContact CD1-CG 4.13Å; I153-Q156 HydrophobicContact CG1-CG 4.01Å; I153-Q156 PolarHBondContact O-OE1 3.15Å; I153-G169 WeakPolarHBondContact CD1-O 3.49Å; I153-T171 WeakPolarHBondContact CA-O 3.35Å; I153-T171 VanDerWaalsContact CB-O 3.28Å; I153-T171 WeakPolarHBondContact CB-O 3.43Å; I153-T172 HydrophobicContact CG2-CG2 3.65Å
154	Y	95.6	Very high	96.3	Very high	36 Å²	36	51.6 Å²	51.6	14%	0.141	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-128.9	167.8	179.3	65.6	-87.7	0	0	0	112.4	T118 N126 Q156 G170 T171 G173 Y207	T118-Y154 HydrophobicContact CG2-CD1 4.34Å; T118-Y154 HydrophobicContact CG2-CD2 4.28Å; T118-Y154 HydrophobicContact CG2-CG 4.03Å; N126-Y154 WeakPolarHBondContact OD1-CD1 3.43Å; Y154-Q156 VanDerWaalsContact C-N 3.29Å; Y154-Q156 PolarHBondContact O-N 2.88Å; Y154-G170 CarbonylContact O-C 3.55Å; Y154-G170 VanDerWaalsContact O-CA 3.25Å; Y154-G170 WeakPolarHBondContact O-CA 3.25Å; Y154-T171 HydrophobicContact CD1-CG2 4.46Å; Y154-T171 WeakPolarHBondContact CD1-O 3.4Å; Y154-T171 HydrophobicContact CD2-CG2 4.15Å; Y154-T171 HydrophobicContact CE1-CG2 3.99Å; Y154-T171 WeakPolarHBondContact CE1-O 3.25Å; Y154-T171 HydrophobicContact CE2-CG2 3.66Å; Y154-T171 PolarHBondContact N-O 3.07Å; Y154-T171 PolarHBondContact O-N 2.78Å; Y154-G173 VanDerWaalsContact OH-CA 3.25Å; Y154-G173 WeakPolarHBondContact OH-CA 3.36Å; Y154-Y207 HydrophobicContact CE2-CD2 4.36Å; Y154-Y207 HydrophobicContact CE2-CE2 4.49Å
155	G	95.7	Very high	96.4	Very high	4 Å²	4	45.9 Å²	45.9	4%	0.041	23%	0.232	C	C	.	.	S	Bend	trans	72.1	22.9	178.9	0	0	0	0	0	114.3	S102 R208	S102-G155 PolarHBondContact O-N 3.45Å; G155-R208 PolarHBondContact O-N 2.86Å
156	Q	96.9	Very high	96.5	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.042	23%	0.229	C	C	.	.			trans	-68.7	161	169.9	-73.2	152.5	-36.2	0	0	111.6	S104 I153 Y154 V167 G169	S104-Q156 VanDerWaalsContact OG-C 3.27Å; S104-Q156 PolarHBondContact OG-O 3.38Å; I153-Q156 HydrophobicContact CD1-CG 4.13Å; I153-Q156 HydrophobicContact CG1-CG 4.01Å; I153-Q156 PolarHBondContact O-OE1 3.15Å; Y154-Q156 VanDerWaalsContact C-N 3.29Å; Y154-Q156 PolarHBondContact O-N 2.88Å; Q156-V167 HydrophobicContact CB-CG1 3.85Å; Q156-V167 HydrophobicContact CG-CG1 3.84Å; Q156-G169 WeakPolarHBondContact CG-O 3.42Å
157	A	96.9	Very high	96.6	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.8	161.8	0	0	0	0	0	110.6	V167 F168 H209 I211	A157-V167 WeakPolarHBondContact O-CA 3.46Å; A157-F168 PolarHBondContact N-O 2.9Å; A157-F168 PolarHBondContact O-N 3.14Å; A157-F168 VanDerWaalsContact O-N 3.09Å; A157-H209 WeakPolarHBondContact CB-NE2 3.42Å; A157-I211 HydrophobicContact CB-CB 4.11Å; A157-I211 HydrophobicContact CB-CD1 3.43Å; A157-I211 VanDerWaalsContact CB-CD1 3.43Å; A157-I211 HydrophobicContact CB-CG1 3.46Å; A157-I211 VanDerWaalsContact CB-CG1 3.46Å
158	M	97.1	Very high	96.6	Very high	21 Å²	21	37.4 Å²	37.4	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141	-170.3	-177.1	171.4	70.7	0	0	111.5	S104 V106 F115 L165 Y166 V167	S104-M158 VanDerWaalsContact CB-CB 3.5Å; S104-M158 WeakPolarHBondContact O-CE 3.42Å; V106-M158 HydrophobicContact CB-CE 4.29Å; V106-M158 HydrophobicContact CG1-CE 3.95Å; V106-M158 HydrophobicContact CG1-CG 4.33Å; V106-M158 HydrophobicContact CG2-CE 3.83Å; F115-M158 HydrophobicContact CB-CE 4.31Å; F115-M158 HydrophobicContact CB-SD 3.63Å; F115-M158 HydrophobicContact CG-SD 4.46Å; M158-L165 HydrophobicContact CE-CD1 4.38Å; M158-L165 HydrophobicContact CG-CD1 3.44Å; M158-L165 VanDerWaalsContact CG-CD1 3.44Å; M158-L165 HydrophobicContact CG-CD2 4.43Å; M158-L165 HydrophobicContact CG-CG 3.91Å; M158-L165 HydrophobicContact SD-CD1 3.59Å; M158-L165 VanDerWaalsContact SD-CD1 3.59Å; M158-L165 HydrophobicContact SD-CD2 3.74Å; M158-L165 HydrophobicContact SD-CG 3.89Å; M158-Y166 VanDerWaalsContact CA-O 3.24Å; M158-Y166 WeakPolarHBondContact CA-O 3.24Å; M158-V167 HydrophobicContact CB-CG2 4.29Å; M158-V167 HydrophobicContact CG-CG2 3.88Å; M158-V167 HydrophobicContact SD-CG2 4.04Å
159	V	98.1	Very high	96.6	Very high	17 Å²	17	32.4 Å²	32.4	10%	0.103	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	152.7	179.2	69.4	0	0	0	0	111.5	I161 Y166 I211 H213	V159-I161 HydrophobicContact CG1-CD1 4Å; V159-I161 HydrophobicContact CG1-CG1 4.13Å; V159-I161 HydrophobicContact CG2-CG1 4.29Å; V159-Y166 PolarHBondContact N-O 3.14Å; V159-Y166 PolarHBondContact O-N 3.48Å; V159-I211 HydrophobicContact CB-CG2 3.86Å; V159-I211 HydrophobicContact CG1-CG2 3.67Å; V159-I211 HydrophobicContact CG2-CG2 4.48Å; V159-H213 VanDerWaalsContact CG2-CD2 3.4Å; V159-H213 WeakPolarHBondContact CG2-CD2 3.26Å
160	I	98.1	Very high	96.7	Very high	31 Å²	31	29.1 Å²	29.1	16%	0.159	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.2	172.3	-66.9	171.5	0	0	0	109.4	V106 H108 L113 F164 L165 L185	V106-I160 HydrophobicContact CB-CD1 4.46Å; V106-I160 HydrophobicContact CG2-CD1 3.54Å; V106-I160 HydrophobicContact CG2-CG1 3.94Å; H108-I160 HydrophobicContact CB-CD1 3.69Å; L113-I160 HydrophobicContact CD2-CD1 4.42Å; I160-F164 CarbonylContact C-O 3.47Å; I160-F164 VanDerWaalsContact CA-O 3.3Å; I160-F164 WeakPolarHBondContact CA-O 2.99Å; I160-L165 HydrophobicContact CD1-CD1 4.09Å; I160-L165 HydrophobicContact CG1-CB 4.43Å; I160-L165 HydrophobicContact CG1-CD1 3.44Å; I160-L165 VanDerWaalsContact CG1-CD1 3.44Å; I160-L185 HydrophobicContact CD1-CD1 4.08Å; I160-L185 HydrophobicContact CG1-CD1 4.35Å; I160-L185 HydrophobicContact CG2-CD1 4.34Å
161	I	97.9	Very high	96.7	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.1	176.3	-50.9	172.9	0	0	0	107.9	V159 G163 F164 Y166 H213 I218 L240	V159-I161 HydrophobicContact CG1-CD1 4Å; V159-I161 HydrophobicContact CG1-CG1 4.13Å; V159-I161 HydrophobicContact CG2-CG1 4.29Å; I161-G163 VanDerWaalsContact C-N 3.28Å; I161-G163 PolarHBondContact O-N 3.3Å; I161-G163 VanDerWaalsContact O-N 3.17Å; I161-F164 PolarHBondContact N-O 3.22Å; I161-F164 PolarHBondContact O-N 2.66Å; I161-Y166 HydrophobicContact CB-CD2 4.23Å; I161-Y166 HydrophobicContact CB-CE2 3.86Å; I161-Y166 HydrophobicContact CD1-CD2 4.26Å; I161-Y166 HydrophobicContact CD1-CE2 4.39Å; I161-Y166 HydrophobicContact CG1-CD2 4.27Å; I161-Y166 HydrophobicContact CG1-CE2 4.36Å; I161-H213 HydrophobicContact CD1-CB 3.55Å; I161-H213 HydrophobicContact CG1-CB 4.24Å; I161-I218 HydrophobicContact CD1-CD1 4.05Å; I161-I218 HydrophobicContact CD1-CG1 3.63Å; I161-L240 HydrophobicContact CD1-CD1 4.15Å; I161-L240 HydrophobicContact CG2-CD1 4.3Å
162	N	95.7	Very high	96.6	Very high	138 Å²	138	26.2 Å²	26.2	74%	0.738	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	41.3	174.5	-58.6	-26.5	0	0	0	114.5	F164	N162-F164 VanDerWaalsContact C-N 3.32Å; N162-F164 VanDerWaalsContact O-CD2 3.27Å; N162-F164 WeakPolarHBondContact O-CD2 3.42Å; N162-F164 PolarHBondContact O-N 3.26Å
163	G	96.2	Very high	96.2	Very high	30 Å²	30	21.4 Å²	21.4	31%	0.309	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	3.9	179.2	0	0	0	0	0	115.2	I161 L185	I161-G163 VanDerWaalsContact C-N 3.28Å; I161-G163 PolarHBondContact O-N 3.3Å; I161-G163 VanDerWaalsContact O-N 3.17Å; G163-L185 VanDerWaalsContact O-CB 3.31Å; G163-L185 WeakPolarHBondContact O-CB 3.25Å; G163-L185 WeakPolarHBondContact O-CG 3.22Å; G163-L185 PolarHBondContact O-N 2.87Å
164	F	98.4	Very high	95.9	Very high	52 Å²	52	30 Å²	30	23%	0.228	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.2	174.5	-59.7	-86.1	0	0	0	110.8	I160 I161 N162 Y166 R182 L183 D184	I160-F164 CarbonylContact C-O 3.47Å; I160-F164 VanDerWaalsContact CA-O 3.3Å; I160-F164 WeakPolarHBondContact CA-O 2.99Å; I161-F164 PolarHBondContact N-O 3.22Å; I161-F164 PolarHBondContact O-N 2.66Å; N162-F164 VanDerWaalsContact C-N 3.32Å; N162-F164 VanDerWaalsContact O-CD2 3.27Å; N162-F164 WeakPolarHBondContact O-CD2 3.42Å; N162-F164 PolarHBondContact O-N 3.26Å; F164-Y166 HydrophobicContact CB-CD2 4.28Å; F164-Y166 HydrophobicContact CB-CE2 3.54Å; F164-R182 HydrophobicContact CB-CG 3.74Å; F164-R182 HydrophobicContact CD1-CG 3.89Å; F164-R182 HydrophobicContact CG-CG 4.11Å; F164-L183 CarbonylContact C-O 3.6Å; F164-L183 VanDerWaalsContact CA-O 3.29Å; F164-L183 WeakPolarHBondContact CA-O 3.45Å; F164-D184 HydrophobicContact CD1-CB 3.83Å; F164-D184 HydrophobicContact CE1-CB 3.67Å
165	L	98.5	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.8	172.3	-176.9	76.8	0	0	0	108.9	V106 L113 M158 I160 R182 L183 L185 W190	V106-L165 HydrophobicContact CG2-CD1 3.93Å; L113-L165 HydrophobicContact CD2-CD2 4.39Å; M158-L165 HydrophobicContact CE-CD1 4.38Å; M158-L165 HydrophobicContact CG-CD1 3.44Å; M158-L165 VanDerWaalsContact CG-CD1 3.44Å; M158-L165 HydrophobicContact CG-CD2 4.43Å; M158-L165 HydrophobicContact CG-CG 3.91Å; M158-L165 HydrophobicContact SD-CD1 3.59Å; M158-L165 VanDerWaalsContact SD-CD1 3.59Å; M158-L165 HydrophobicContact SD-CD2 3.74Å; M158-L165 HydrophobicContact SD-CG 3.89Å; I160-L165 HydrophobicContact CD1-CD1 4.09Å; I160-L165 HydrophobicContact CG1-CB 4.43Å; I160-L165 HydrophobicContact CG1-CD1 3.44Å; I160-L165 VanDerWaalsContact CG1-CD1 3.44Å; L165-R182 CarbonylContact O-C 3.5Å; L165-R182 WeakPolarHBondContact O-CA 3.45Å; L165-L183 HydrophobicContact CB-CB 4.17Å; L165-L183 HydrophobicContact CD2-CD2 4.17Å; L165-L183 PolarHBondContact N-O 3.07Å; L165-L183 PolarHBondContact O-N 2.83Å; L165-L185 HydrophobicContact CB-CD2 4.06Å; L165-L185 HydrophobicContact CB-CG 4.36Å; L165-W190 HydrophobicContact CD2-CH2 4.24Å
166	Y	98.6	Very high	95.7	Very high	11 Å²	11	35.4 Å²	35.4	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.2	177.2	-64.2	-95.7	0	0	0	109.9	M158 V159 I161 F164 H181 R182 L193 I218 L240	M158-Y166 VanDerWaalsContact CA-O 3.24Å; M158-Y166 WeakPolarHBondContact CA-O 3.24Å; V159-Y166 PolarHBondContact N-O 3.14Å; V159-Y166 PolarHBondContact O-N 3.48Å; I161-Y166 HydrophobicContact CB-CD2 4.23Å; I161-Y166 HydrophobicContact CB-CE2 3.86Å; I161-Y166 HydrophobicContact CD1-CD2 4.26Å; I161-Y166 HydrophobicContact CD1-CE2 4.39Å; I161-Y166 HydrophobicContact CG1-CD2 4.27Å; I161-Y166 HydrophobicContact CG1-CE2 4.36Å; F164-Y166 HydrophobicContact CB-CD2 4.28Å; F164-Y166 HydrophobicContact CB-CE2 3.54Å; Y166-H181 WeakPolarHBondContact CA-O 3.27Å; Y166-R182 HydrophobicContact CD1-CB 3.98Å; Y166-R182 HydrophobicContact CD1-CG 3.98Å; Y166-R182 HydrophobicContact CE1-CB 3.87Å; Y166-R182 VanDerWaalsContact CE1-CD 3.5Å; Y166-R182 HydrophobicContact CE1-CG 3.56Å; Y166-R182 HydrophobicContact CE2-CG 4.33Å; Y166-R182 VanDerWaalsContact CZ-CD 3.5Å; Y166-R182 VanDerWaalsContact OH-CD 3.28Å; Y166-R182 WeakPolarHBondContact OH-CD 3.43Å; Y166-L193 HydrophobicContact CD1-CD1 4.1Å; Y166-L193 HydrophobicContact CE1-CD1 3.83Å; Y166-I218 HydrophobicContact CD1-CD1 3.54Å; Y166-I218 HydrophobicContact CD2-CD1 4.1Å; Y166-I218 HydrophobicContact CE1-CD1 4.15Å; Y166-I218 HydrophobicContact CG-CD1 3.51Å; Y166-L240 HydrophobicContact CD1-CD2 4.29Å; Y166-L240 HydrophobicContact CE1-CD2 3.51Å
167	V	98.2	Very high	95.5	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.5	177.4	-178.6	0	0	0	0	108.9	F115 Q156 A157 M158 H181 W190	F115-V167 HydrophobicContact CD1-CG1 3.91Å; F115-V167 HydrophobicContact CD1-CG2 3.9Å; F115-V167 HydrophobicContact CE1-CB 4.44Å; F115-V167 HydrophobicContact CE1-CG1 3.81Å; F115-V167 HydrophobicContact CE1-CG2 4.18Å; F115-V167 HydrophobicContact CG-CG2 4.42Å; Q156-V167 HydrophobicContact CB-CG1 3.85Å; Q156-V167 HydrophobicContact CG-CG1 3.84Å; A157-V167 WeakPolarHBondContact O-CA 3.46Å; M158-V167 HydrophobicContact CB-CG2 4.29Å; M158-V167 HydrophobicContact CG-CG2 3.88Å; M158-V167 HydrophobicContact SD-CG2 4.04Å; V167-H181 PolarHBondContact N-O 2.89Å; V167-H181 PolarHBondContact O-N 2.79Å; V167-W190 HydrophobicContact CG2-CH2 3.82Å; V167-W190 HydrophobicContact CG2-CZ3 4.29Å
168	F	98.1	Very high	95.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.8	-178	176.6	-102.2	0	0	0	112.5	A157 T178 D179 L180 P203 R206 H209 I211 I220 W245	A157-F168 PolarHBondContact N-O 2.9Å; A157-F168 PolarHBondContact O-N 3.14Å; A157-F168 VanDerWaalsContact O-N 3.09Å; F168-T178 WeakPolarHBondContact CE2-O 3.25Å; F168-D179 WeakPolarHBondContact CA-O 3.48Å; F168-L180 HydrophobicContact CB-CD1 3.87Å; F168-L180 HydrophobicContact CD2-CB 4.18Å; F168-L180 HydrophobicContact CD2-CD1 4.35Å; F168-P203 HydrophobicContact CE2-CG 4.02Å; F168-P203 HydrophobicContact CZ-CB 4.24Å; F168-P203 HydrophobicContact CZ-CG 3.74Å; F168-R206 HydrophobicContact CE1-CG 4.16Å; F168-H209 AromaticContact CD1-CD2 3.99Å; F168-H209 AromaticContact CD1-CE1 3.91Å; F168-H209 AromaticContact CD1-NE2 3.36Å; F168-H209 WeakPolarHBondContact CD1-NE2 3.21Å; F168-H209 PolarHBondContact O-CE1 2.85Å; F168-H209 PolarHBondContact O-NE2 2.85Å; F168-I211 HydrophobicContact CB-CD1 3.98Å; F168-I220 HydrophobicContact CB-CD1 4.38Å; F168-I220 HydrophobicContact CD1-CD1 3.41Å; F168-I220 VanDerWaalsContact CD1-CD1 3.41Å; F168-I220 HydrophobicContact CD1-CG1 3.93Å; F168-I220 HydrophobicContact CD1-CG2 4.26Å; F168-I220 HydrophobicContact CE1-CB 4.47Å; F168-I220 HydrophobicContact CE1-CD1 3.84Å; F168-I220 HydrophobicContact CE1-CG1 3.8Å; F168-I220 HydrophobicContact CE1-CG2 3.85Å; F168-I220 HydrophobicContact CG-CD1 3.95Å; F168-I220 HydrophobicContact CZ-CG1 4.38Å; F168-W245 AromaticContact CD2-CH2 3.75Å; F168-W245 HydrophobicContact CD2-CH2 3.75Å; F168-W245 AromaticContact CD2-CZ2 3.61Å; F168-W245 HydrophobicContact CD2-CZ2 3.61Å; F168-W245 HydrophobicContact CE1-CH2 4.43Å; F168-W245 AromaticContact CE2-CH2 3.48Å; F168-W245 HydrophobicContact CE2-CH2 3.48Å; F168-W245 VanDerWaalsContact CE2-CH2 3.48Å; F168-W245 AromaticContact CE2-CZ2 3.24Å; F168-W245 HydrophobicContact CE2-CZ2 3.24Å; F168-W245 HydrophobicContact CG-CH2 4.31Å; F168-W245 AromaticContact CZ-CH2 3.87Å; F168-W245 HydrophobicContact CZ-CH2 3.87Å; F168-W245 HydrophobicContact CZ-CZ2 4.01Å
169	G	96.6	Very high	95.3	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.021	21%	0.208	C	C	.	.			trans	64.5	-151.4	170.3	0	0	0	0	0	114.4	I153 Q156 S177 D179	I153-G169 WeakPolarHBondContact CD1-O 3.49Å; Q156-G169 WeakPolarHBondContact CG-O 3.42Å; G169-S177 WeakPolarHBondContact CA-O 3.48Å; G169-D179 PolarHBondContact N-O 2.85Å
170	G	96.6	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.			trans	105.2	-174.4	-176.4	0	0	0	0	0	113.1	Y154 Y176 S177 R206	Y154-G170 CarbonylContact O-C 3.55Å; Y154-G170 VanDerWaalsContact O-CA 3.25Å; Y154-G170 WeakPolarHBondContact O-CA 3.25Å; G170-Y176 WeakPolarHBondContact O-CA 3.38Å; G170-S177 PolarHBondContact O-N 2.94Å; G170-R206 PolarHBondContact N-O 3.36Å
171	T	95.6	Very high	95.3	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-148.9	152.2	-176.5	-175	0	0	0	0	113.1	I153 Y154 G173 I175 Y176 Y207	I153-T171 WeakPolarHBondContact CA-O 3.35Å; I153-T171 VanDerWaalsContact CB-O 3.28Å; I153-T171 WeakPolarHBondContact CB-O 3.43Å; Y154-T171 HydrophobicContact CD1-CG2 4.46Å; Y154-T171 WeakPolarHBondContact CD1-O 3.4Å; Y154-T171 HydrophobicContact CD2-CG2 4.15Å; Y154-T171 HydrophobicContact CE1-CG2 3.99Å; Y154-T171 WeakPolarHBondContact CE1-O 3.25Å; Y154-T171 HydrophobicContact CE2-CG2 3.66Å; Y154-T171 PolarHBondContact N-O 3.07Å; Y154-T171 PolarHBondContact O-N 2.78Å; T171-G173 VanDerWaalsContact C-N 3.27Å; T171-G173 PolarHBondContact OG1-N 3.08Å; T171-I175 WeakPolarHBondContact CA-O 3.33Å; T171-I175 WeakPolarHBondContact CB-O 3.44Å; T171-I175 PolarHBondContact OG1-O 2.77Å; T171-Y176 HydrophobicContact CG2-CD1 4.4Å; T171-Y176 HydrophobicContact CG2-CE1 4.31Å; T171-Y207 HydrophobicContact CG2-CD2 3.47Å; T171-Y207 VanDerWaalsContact CG2-CD2 3.47Å; T171-Y207 HydrophobicContact CG2-CE2 4.21Å; T171-Y207 HydrophobicContact CG2-CG 3.83Å
172	T	90.8	Very high	95.3	Very high	46 Å²	46	40.4 Å²	40.4	28%	0.282	21%	0.211	S	C	.	.			trans	-81.8	-5.7	164.6	58.6	0	0	0	0	112.7	I153 Y174 I175	I153-T172 HydrophobicContact CG2-CG2 3.65Å; T172-Y174 PolarHBondContact OG1-N 2.92Å; T172-I175 PolarHBondContact N-O 3.08Å; T172-I175 PolarHBondContact OG1-N 2.85Å; T172-I175 VanDerWaalsContact OG1-N 3.09Å; T172-I175 PolarHBondContact OG1-O 3.45Å
173	G	87.7	Confident	95.5	Very high	33 Å²	33	33.8 Å²	33.8	34%	0.34	18%	0.176	S	C	.	.	S	Bend	trans	97.8	-23.3	-167.1	0	0	0	0	0	113.3	Y154 T171	Y154-G173 VanDerWaalsContact OH-CA 3.25Å; Y154-G173 WeakPolarHBondContact OH-CA 3.36Å; T171-G173 VanDerWaalsContact C-N 3.27Å; T171-G173 PolarHBondContact OG1-N 3.08Å
174	Y	86.4	Confident	95.6	Very high	192 Å²	192	34 Å²	34	75%	0.753	17%	0.17	S	C	*	.	S	Bend	trans	-114.4	-38.8	177.5	-56.7	-79.8	0	0	0	112.6	T172	T172-Y174 PolarHBondContact OG1-N 2.92Å
175	I	91.8	Very high	95.5	Very high	122 Å²	122	33.5 Å²	33.5	63%	0.626	17%	0.169	S	C	*	.			trans	-120.1	137.3	-176.7	-57.6	172.3	0	0	0	107.8	T171 T172	T171-I175 WeakPolarHBondContact CA-O 3.33Å; T171-I175 WeakPolarHBondContact CB-O 3.44Å; T171-I175 PolarHBondContact OG1-O 2.77Å; T172-I175 PolarHBondContact N-O 3.08Å; T172-I175 PolarHBondContact OG1-N 2.85Å; T172-I175 VanDerWaalsContact OG1-N 3.09Å; T172-I175 PolarHBondContact OG1-O 3.45Å
176	Y	95.1	Very high	95.4	Very high	31 Å²	31	38.2 Å²	38.2	12%	0.122	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-98.9	148.6	174	-55.2	-86.3	0	0	0	109.4	G170 T171 E205 Y207 T225 S226 W227	G170-Y176 WeakPolarHBondContact O-CA 3.38Å; T171-Y176 HydrophobicContact CG2-CD1 4.4Å; T171-Y176 HydrophobicContact CG2-CE1 4.31Å; Y176-E205 HydrophobicContact CD2-CG 4.47Å; Y176-E205 HydrophobicContact CG-CG 4.42Å; Y176-Y207 AromaticContact CD1-CD1 3.97Å; Y176-Y207 HydrophobicContact CD1-CD1 3.97Å; Y176-Y207 HydrophobicContact CD1-CG 4.27Å; Y176-Y207 AromaticContact CE1-CD1 3.6Å; Y176-Y207 HydrophobicContact CE1-CD1 3.6Å; Y176-Y207 AromaticContact CE1-CE1 3.9Å; Y176-Y207 HydrophobicContact CE1-CE1 3.9Å; Y176-Y207 HydrophobicContact CE1-CG 4.09Å; Y176-T225 HydrophobicContact CD2-CG2 4.06Å; Y176-T225 HydrophobicContact CE2-CG2 3.95Å; Y176-S226 WeakPolarHBondContact OH-CB 3.5Å; Y176-S226 PolarHBondContact OH-N 2.85Å; Y176-S226 PolarHBondContact OH-OG 2.8Å; Y176-S226 VanDerWaalsContact OH-OG 3.11Å; Y176-W227 HydrophobicContact CE2-CH2 4.11Å
177	S	94	Very high	95.4	Very high	19 Å²	19	40.4 Å²	40.4	13%	0.133	21%	0.212	C	C	.	.			trans	-108.6	151.4	-176.5	-173.4	0	0	0	0	111.8	G169 G170 D179 R206	G169-S177 WeakPolarHBondContact CA-O 3.48Å; G170-S177 PolarHBondContact O-N 2.94Å; S177-D179 WeakPolarHBondContact OG-CB 3.08Å; S177-D179 PolarHBondContact OG-N 2.88Å; S177-R206 PolarHBondContact O-N 3.01Å
178	T	94.3	Very high	95.4	Very high	41 Å²	41	45.7 Å²	45.7	25%	0.252	23%	0.232	S	C	.	.			trans	-115.8	5.7	167.2	56.1	0	0	0	0	111.7	F168 L180 P203 E205	F168-T178 WeakPolarHBondContact CE2-O 3.25Å; T178-L180 PolarHBondContact O-N 2.89Å; T178-P203 WeakPolarHBondContact CG2-O 3.24Å; T178-E205 VanDerWaalsContact CG2-CA 3.43Å; T178-E205 HydrophobicContact CG2-CB 3.8Å
179	D	95.4	Very high	95.4	Very high	43 Å²	43	49.4 Å²	49.4	23%	0.23	25%	0.249	C	C	.	.			trans	-67.6	134.3	-175.4	-76.2	-5	0	0	0	111.2	F168 G169 S177 H181 H192	F168-D179 WeakPolarHBondContact CA-O 3.48Å; G169-D179 PolarHBondContact N-O 2.85Å; S177-D179 WeakPolarHBondContact OG-CB 3.08Å; S177-D179 PolarHBondContact OG-N 2.88Å; D179-H181 IonicContact OD2-CE1 3.65Å; D179-H192 VanDerWaalsContact CG-CE1 3.49Å; D179-H192 IonicContact OD1-CE1 3.85Å; D179-H192 PolarHBondContact OD1-CE1 2.85Å; D179-H192 IonicContact OD1-NE2 3.81Å; D179-H192 IonicContact OD2-CE1 2.82Å
180	L	97.3	Very high	95.5	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.3	168.2	-177.4	66.5	0	0	0	109.7	F168 T178 L193 I218 Y238	F168-L180 HydrophobicContact CB-CD1 3.87Å; F168-L180 HydrophobicContact CD2-CB 4.18Å; F168-L180 HydrophobicContact CD2-CD1 4.35Å; T178-L180 PolarHBondContact O-N 2.89Å; L180-L193 HydrophobicContact CB-CB 4.47Å; L180-L193 HydrophobicContact CD2-CB 4.35Å; L180-L193 HydrophobicContact CD2-CD1 3.76Å; L180-L193 HydrophobicContact CG-CB 4.38Å; L180-L193 HydrophobicContact CG-CD1 4.01Å; L180-L193 PolarHBondContact O-N 2.83Å; L180-I218 HydrophobicContact CD1-CD1 4.49Å; L180-Y238 HydrophobicContact CD2-CD1 3.34Å; L180-Y238 HydrophobicContact CD2-CD2 3.8Å; L180-Y238 HydrophobicContact CD2-CE1 3.44Å; L180-Y238 VanDerWaalsContact CD2-CE1 3.44Å; L180-Y238 HydrophobicContact CD2-CE2 3.88Å; L180-Y238 HydrophobicContact CD2-CG 3.5Å; L180-Y238 VanDerWaalsContact CD2-CG 3.5Å
181	H	98.4	Very high	95.6	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.032	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147	176.3	-70.3	78.8	0	0	0	110.8	K148 P150 Y166 V167 D179 W190 I191 H192	K148-H181 PolarHBondContact O-CD2 2.99Å; P150-H181 HydrophobicContact CG-CB 3.68Å; Y166-H181 WeakPolarHBondContact CA-O 3.27Å; V167-H181 PolarHBondContact N-O 2.89Å; V167-H181 PolarHBondContact O-N 2.79Å; D179-H181 IonicContact OD2-CE1 3.65Å; H181-W190 HydrophobicContact CB-CE3 3.87Å; H181-W190 HydrophobicContact CB-CZ3 3.8Å; H181-I191 WeakPolarHBondContact CA-O 3.03Å; H181-H192 AromaticContact CE1-ND1 3.94Å; H181-H192 AromaticContact NE2-CG 3.69Å; H181-H192 AromaticContact NE2-ND1 3.77Å
182	R	98.4	Very high	95.7	Very high	75 Å²	75	54 Å²	54	28%	0.283	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.1	176.7	-174.8	-174.4	75.2	-173.3	3.8	109.9	F164 L165 Y166 W190 I191 L193	F164-R182 HydrophobicContact CB-CG 3.74Å; F164-R182 HydrophobicContact CD1-CG 3.89Å; F164-R182 HydrophobicContact CG-CG 4.11Å; L165-R182 CarbonylContact O-C 3.5Å; L165-R182 WeakPolarHBondContact O-CA 3.45Å; Y166-R182 HydrophobicContact CD1-CB 3.98Å; Y166-R182 HydrophobicContact CD1-CG 3.98Å; Y166-R182 HydrophobicContact CE1-CB 3.87Å; Y166-R182 VanDerWaalsContact CE1-CD 3.5Å; Y166-R182 HydrophobicContact CE1-CG 3.56Å; Y166-R182 HydrophobicContact CE2-CG 4.33Å; Y166-R182 VanDerWaalsContact CZ-CD 3.5Å; Y166-R182 VanDerWaalsContact OH-CD 3.28Å; Y166-R182 WeakPolarHBondContact OH-CD 3.43Å; R182-W190 WeakPolarHBondContact O-CA 3.27Å; R182-I191 HydrophobicContact CB-CD1 4.5Å; R182-I191 HydrophobicContact CB-CG1 3.94Å; R182-I191 PolarHBondContact N-O 3.12Å; R182-I191 PolarHBondContact O-N 2.84Å; R182-L193 HydrophobicContact CB-CD1 3.93Å; R182-L193 HydrophobicContact CB-CG 4.13Å
183	L	98.7	Very high	96	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.3	168.9	173.2	64.3	0	0	0	109.4	V130 L143 C145 F164 L165 L185 R188 E189 W190	V130-L183 HydrophobicContact CG2-CD2 3.92Å; L143-L183 HydrophobicContact CD2-CD2 4.16Å; C145-L183 HydrophobicContact CB-CD1 4.16Å; F164-L183 CarbonylContact C-O 3.6Å; F164-L183 VanDerWaalsContact CA-O 3.29Å; F164-L183 WeakPolarHBondContact CA-O 3.45Å; L165-L183 HydrophobicContact CB-CB 4.17Å; L165-L183 HydrophobicContact CD2-CD2 4.17Å; L165-L183 PolarHBondContact N-O 3.07Å; L165-L183 PolarHBondContact O-N 2.83Å; L183-L185 HydrophobicContact CD2-CD2 4.01Å; L183-L185 HydrophobicContact CG-CD2 4.3Å; L183-L185 PolarHBondContact O-N 2.8Å; L183-R188 VanDerWaalsContact CD1-C 3.5Å; L183-E189 WeakPolarHBondContact CA-O 3.35Å; L183-W190 HydrophobicContact CB-CD2 3.62Å; L183-W190 HydrophobicContact CB-CE3 3.59Å; L183-W190 HydrophobicContact CB-CG 4.35Å; L183-W190 HydrophobicContact CB-CH2 3.69Å; L183-W190 HydrophobicContact CB-CZ2 3.73Å; L183-W190 HydrophobicContact CB-CZ3 3.62Å; L183-W190 HydrophobicContact CD1-CD2 4.08Å; L183-W190 HydrophobicContact CD1-CG 3.99Å; L183-W190 HydrophobicContact CD2-CH2 4.38Å; L183-W190 HydrophobicContact CD2-CZ2 3.74Å; L183-W190 HydrophobicContact CG-CD2 4.31Å; L183-W190 HydrophobicContact CG-CZ2 4.26Å
184	D	98.4	Very high	96.4	Very high	35 Å²	35	57.9 Å²	57.9	19%	0.187	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	116.4	164	179.3	-22.2	0	0	0	109.2	F164 T186 T187 R188 E189	F164-D184 HydrophobicContact CD1-CB 3.83Å; F164-D184 HydrophobicContact CE1-CB 3.67Å; D184-T186 PolarHBondContact O-N 3.46Å; D184-T186 WeakPolarHBondContact OD1-CA 3.44Å; D184-T186 VanDerWaalsContact OD1-CB 3.25Å; D184-T186 WeakPolarHBondContact OD1-CB 3.24Å; D184-T186 PolarHBondContact OD1-N 2.85Å; D184-T187 WeakPolarHBondContact CB-OG1 3.44Å; D184-T187 PolarHBondContact OD1-N 3.38Å; D184-T187 VanDerWaalsContact OD2-CG2 3.29Å; D184-T187 WeakPolarHBondContact OD2-CG2 3.12Å; D184-T187 PolarHBondContact OD2-OG1 2.68Å; D184-R188 WeakPolarHBondContact O-CA 3.39Å; D184-R188 PolarHBondContact O-N 2.74Å; D184-E189 PolarHBondContact N-O 2.79Å; D184-E189 VanDerWaalsContact N-O 3.07Å
185	L	97.3	Very high	96.8	Very high	41 Å²	41	50.5 Å²	50.5	22%	0.215	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.6	-177.3	-64.6	174.4	0	0	0	113	L113 I160 G163 L165 L183	L113-L185 HydrophobicContact CD2-CD2 3.84Å; I160-L185 HydrophobicContact CD1-CD1 4.08Å; I160-L185 HydrophobicContact CG1-CD1 4.35Å; I160-L185 HydrophobicContact CG2-CD1 4.34Å; G163-L185 VanDerWaalsContact O-CB 3.31Å; G163-L185 WeakPolarHBondContact O-CB 3.25Å; G163-L185 WeakPolarHBondContact O-CG 3.22Å; G163-L185 PolarHBondContact O-N 2.87Å; L165-L185 HydrophobicContact CB-CD2 4.06Å; L165-L185 HydrophobicContact CB-CG 4.36Å; L183-L185 HydrophobicContact CD2-CD2 4.01Å; L183-L185 HydrophobicContact CG-CD2 4.3Å; L183-L185 PolarHBondContact O-N 2.8Å
186	T	96.6	Very high	97.1	Very high	99 Å²	99	50.2 Å²	50.2	61%	0.607	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-53.8	176.5	-53.1	0	0	0	0	110.1	D184	D184-T186 PolarHBondContact O-N 3.46Å; D184-T186 WeakPolarHBondContact OD1-CA 3.44Å; D184-T186 VanDerWaalsContact OD1-CB 3.25Å; D184-T186 WeakPolarHBondContact OD1-CB 3.24Å; D184-T186 PolarHBondContact OD1-N 2.85Å
187	T	97.9	Very high	97.2	Very high	56 Å²	56	50.1 Å²	50.1	34%	0.344	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-16.6	-176.4	65.2	0	0	0	0	112.9	R146 D184 E189	R146-T187 PolarHBondContact NH1-O 2.8Å; R146-T187 PolarHBondContact NH2-O 2.8Å; D184-T187 WeakPolarHBondContact CB-OG1 3.44Å; D184-T187 PolarHBondContact OD1-N 3.38Å; D184-T187 VanDerWaalsContact OD2-CG2 3.29Å; D184-T187 WeakPolarHBondContact OD2-CG2 3.12Å; D184-T187 PolarHBondContact OD2-OG1 2.68Å; T187-E189 VanDerWaalsContact C-N 3.28Å
188	R	97.8	Very high	97.1	Very high	113 Å²	113	52.4 Å²	52.4	43%	0.426	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	36.5	-175.7	-49.4	175.4	-170.2	175.6	1.3	112.5	L143 C145 R146 L183 D184	L143-R188 HydrophobicContact CD1-CG 4.14Å; L143-R188 HydrophobicContact CG-CG 4.45Å; C145-R188 CarbonylContact C-O 3.58Å; C145-R188 VanDerWaalsContact CA-O 3.24Å; C145-R188 WeakPolarHBondContact CA-O 3.45Å; R146-R188 PolarHBondContact N-O 3.45Å; L183-R188 VanDerWaalsContact CD1-C 3.5Å; D184-R188 WeakPolarHBondContact O-CA 3.39Å; D184-R188 PolarHBondContact O-N 2.74Å
189	E	98.4	Very high	96.9	Very high	78 Å²	78	55.5 Å²	55.5	36%	0.364	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.9	-179.1	-172.6	162.2	-178.8	0	0	111.3	R146 L183 D184 T187	R146-E189 HydrophobicContact CG-CB 4.22Å; R146-E189 HydrophobicContact CG-CG 4.22Å; R146-E189 IonicContact CZ-OE2 2.72Å; R146-E189 IonicContact NE-OE2 3.34Å; R146-E189 PolarHBondContact NE-OE2 3.17Å; R146-E189 IonicContact NH2-OE2 3.14Å; R146-E189 PolarHBondContact NH2-OE2 2.95Å; L183-E189 WeakPolarHBondContact CA-O 3.35Å; D184-E189 PolarHBondContact N-O 2.79Å; D184-E189 VanDerWaalsContact N-O 3.07Å; T187-E189 VanDerWaalsContact C-N 3.28Å
190	W	98.6	Very high	96.6	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	138.1	171.9	-76.9	104	0	0	0	111.3	F115 V130 C145 R146 G147 K148 K149 P150 L165 V167 H181 R182 L183	F115-W190 HydrophobicContact CD2-CZ2 4.12Å; F115-W190 HydrophobicContact CE2-CH2 4.24Å; F115-W190 AromaticContact CE2-CZ2 3.74Å; F115-W190 HydrophobicContact CE2-CZ2 3.74Å; F115-W190 HydrophobicContact CZ-CH2 4.46Å; F115-W190 HydrophobicContact CZ-CZ2 4.32Å; V130-W190 HydrophobicContact CG2-CZ2 3.62Å; C145-W190 VanDerWaalsContact CB-CD1 3.4Å; R146-W190 PolarHBondContact O-N 2.97Å; G147-W190 CarbonylContact C-O 3.52Å; G147-W190 WeakPolarHBondContact CA-O 3.27Å; K148-W190 PolarHBondContact N-O 2.93Å; K148-W190 WeakPolarHBondContact O-CB 3.12Å; K149-W190 HydrophobicContact CG-CG 4.3Å; P150-W190 HydrophobicContact CG-CD2 4.45Å; P150-W190 HydrophobicContact CG-CE3 4.09Å; P150-W190 HydrophobicContact CG-CH2 4.19Å; P150-W190 HydrophobicContact CG-CZ3 3.96Å; L165-W190 HydrophobicContact CD2-CH2 4.24Å; V167-W190 HydrophobicContact CG2-CH2 3.82Å; V167-W190 HydrophobicContact CG2-CZ3 4.29Å; H181-W190 HydrophobicContact CB-CE3 3.87Å; H181-W190 HydrophobicContact CB-CZ3 3.8Å; R182-W190 WeakPolarHBondContact O-CA 3.27Å; L183-W190 HydrophobicContact CB-CD2 3.62Å; L183-W190 HydrophobicContact CB-CE3 3.59Å; L183-W190 HydrophobicContact CB-CG 4.35Å; L183-W190 HydrophobicContact CB-CH2 3.69Å; L183-W190 HydrophobicContact CB-CZ2 3.73Å; L183-W190 HydrophobicContact CB-CZ3 3.62Å; L183-W190 HydrophobicContact CD1-CD2 4.08Å; L183-W190 HydrophobicContact CD1-CG 3.99Å; L183-W190 HydrophobicContact CD2-CH2 4.38Å; L183-W190 HydrophobicContact CD2-CZ2 3.74Å; L183-W190 HydrophobicContact CG-CD2 4.31Å; L183-W190 HydrophobicContact CG-CZ2 4.26Å
191	I	98.3	Very high	96.2	Very high	57 Å²	57	65 Å²	65	29%	0.292	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145	165.3	66.1	169.1	0	0	0	109.9	H181 R182 L193	H181-I191 WeakPolarHBondContact CA-O 3.03Å; R182-I191 HydrophobicContact CB-CD1 4.5Å; R182-I191 HydrophobicContact CB-CG1 3.94Å; R182-I191 PolarHBondContact N-O 3.12Å; R182-I191 PolarHBondContact O-N 2.84Å; I191-L193 HydrophobicContact CD1-CD2 3.58Å; I191-L193 HydrophobicContact CD1-CG 4.46Å; I191-L193 HydrophobicContact CG1-CD2 4.15Å
192	H	97.8	Very high	95.9	Very high	42 Å²	42	67.5 Å²	67.5	19%	0.194	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.7	164.5	-178.2	159.2	0	0	0	106.9	K148 D179 H181 K194	K148-H192 HydrophobicContact CD-CB 3.63Å; K148-H192 HydrophobicContact CG-CB 4.15Å; K148-H192 PolarHBondContact NZ-ND1 2.98Å; K148-H192 VanDerWaalsContact NZ-ND1 3.19Å; D179-H192 VanDerWaalsContact CG-CE1 3.49Å; D179-H192 IonicContact OD1-CE1 3.85Å; D179-H192 PolarHBondContact OD1-CE1 2.85Å; D179-H192 IonicContact OD1-NE2 3.81Å; D179-H192 IonicContact OD2-CE1 2.82Å; H181-H192 AromaticContact CE1-ND1 3.94Å; H181-H192 AromaticContact NE2-CG 3.69Å; H181-H192 AromaticContact NE2-ND1 3.77Å; H192-K194 PolarHBondContact O-N 3.02Å
193	L	97.1	Very high	95.8	Very high	15 Å²	15	64 Å²	64	8%	0.079	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	103.3	173.7	-67.4	178.4	0	0	0	109.6	Y166 L180 R182 I191 P195 Y238	Y166-L193 HydrophobicContact CD1-CD1 4.1Å; Y166-L193 HydrophobicContact CE1-CD1 3.83Å; L180-L193 HydrophobicContact CB-CB 4.47Å; L180-L193 HydrophobicContact CD2-CB 4.35Å; L180-L193 HydrophobicContact CD2-CD1 3.76Å; L180-L193 HydrophobicContact CG-CB 4.38Å; L180-L193 HydrophobicContact CG-CD1 4.01Å; L180-L193 PolarHBondContact O-N 2.83Å; R182-L193 HydrophobicContact CB-CD1 3.93Å; R182-L193 HydrophobicContact CB-CG 4.13Å; I191-L193 HydrophobicContact CD1-CD2 3.58Å; I191-L193 HydrophobicContact CD1-CG 4.46Å; I191-L193 HydrophobicContact CG1-CD2 4.15Å; L193-P195 VanDerWaalsContact O-CD 3.24Å; L193-P195 WeakPolarHBondContact O-CD 3.43Å; L193-Y238 HydrophobicContact CD1-CE1 4.1Å
194	K	95.7	Very high	95.5	Very high	144 Å²	144	68.1 Å²	68.1	63%	0.626	36%	0.358	S	S	*	.			trans	-81.8	111.4	173.9	-68.5	-175.5	177.8	-175.2	0	108.4	H192 N243	H192-K194 PolarHBondContact O-N 3.02Å; K194-N243 PolarHBondContact O-ND2 2.88Å
195	P	96	Very high	95.4	Very high	37 Å²	37	70.8 Å²	70.8	24%	0.24	37%	0.369	C	S	.	.			trans	-60.4	149.7	177.9	21.7	-30.8	0	0	0	111.7	L193 N197 L202 Y238 N243	L193-P195 VanDerWaalsContact O-CD 3.24Å; L193-P195 WeakPolarHBondContact O-CD 3.43Å; P195-N197 HydrophobicContact CB-CB 4.31Å; P195-N197 WeakPolarHBondContact CB-OD1 3.4Å; P195-N197 PolarHBondContact O-N 3.39Å; P195-L202 HydrophobicContact CB-CD2 4.05Å; P195-L202 HydrophobicContact CG-CD2 3.39Å; P195-Y238 HydrophobicContact CB-CE2 4.19Å; P195-N243 CarbonylContact C-O 3.57Å; P195-N243 VanDerWaalsContact CA-O 3.29Å; P195-N243 WeakPolarHBondContact CA-O 3.09Å
196	N	97.1	Very high	95.4	Very high	117 Å²	117	69.2 Å²	69.2	63%	0.626	36%	0.361	S	S	*	.	S	Bend	trans	-79.5	-0.3	173.7	-63.9	-37.1	0	0	0	112.8	T242 N243	N196-T242 PolarHBondContact ND2-O 2.99Å; N196-N243 PolarHBondContact N-O 2.87Å; N196-N243 PolarHBondContact ND2-ND2 3.35Å; N196-N243 PolarHBondContact OD1-ND2 3Å
197	N	96.9	Very high	95.4	Very high	29 Å²	29	65.8 Å²	65.8	16%	0.155	34%	0.337	C	S	.	.	S	Bend	trans	-65.9	150.2	177.7	-62.6	82	0	0	0	112.5	P195 D201 L202 S244 W245	P195-N197 HydrophobicContact CB-CB 4.31Å; P195-N197 WeakPolarHBondContact CB-OD1 3.4Å; P195-N197 PolarHBondContact O-N 3.39Å; N197-D201 HydrophobicContact CB-CB 4.04Å; N197-L202 HydrophobicContact CB-CD2 3.89Å; N197-S244 WeakPolarHBondContact OD1-CA 3.35Å; N197-S244 WeakPolarHBondContact OD1-CB 3.13Å; N197-W245 PolarHBondContact ND2-O 3.33Å; N197-W245 PolarHBondContact OD1-N 3.05Å
198	P	93.8	Very high	95.3	Very high	66 Å²	66	64.5 Å²	64.5	43%	0.429	33%	0.326	S	S	.	.			trans	-64	157.4	159.4	31.8	-34.9	0	0	0	110.3	D200 D201	P198-D200 PolarHBondContact O-N 2.63Å; P198-D200 VanDerWaalsContact O-N 3.15Å; P198-D201 VanDerWaalsContact CD-OD2 3.24Å; P198-D201 WeakPolarHBondContact CD-OD2 3.19Å; P198-D201 HydrophobicContact CG-CB 3.91Å; P198-D201 VanDerWaalsContact CG-CG 3.46Å; P198-D201 WeakPolarHBondContact CG-OD2 3.25Å; P198-D201 PolarHBondContact O-N 3.31Å; P198-D201 VanDerWaalsContact O-N 3.08Å
199	P	88.9	Confident	95.3	Very high	107 Å²	107	59.2 Å²	59.2	70%	0.695	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-54.8	-33.8	-178.1	-28.4	36.3	0	0	0	114.9	D201 L202	P199-D201 VanDerWaalsContact C-N 3.25Å; P199-D201 PolarHBondContact O-N 3.06Å; P199-L202 WeakPolarHBondContact O-CG 3.4Å; P199-L202 PolarHBondContact O-N 3.04Å
200	D	88.1	Confident	95.3	Very high	154 Å²	154	56.5 Å²	56.5	82%	0.824	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-74	-14	-177.4	-59.4	-33.1	0	0	0	113.5	P198	P198-D200 PolarHBondContact O-N 2.63Å; P198-D200 VanDerWaalsContact O-N 3.15Å
201	D	90.2	Very high	95.3	Very high	92 Å²	92	57.3 Å²	57.3	49%	0.492	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-99.5	8.2	-179.9	-69.3	-7.6	0	0	0	112.3	N197 P198 P199	N197-D201 HydrophobicContact CB-CB 4.04Å; P198-D201 VanDerWaalsContact CD-OD2 3.24Å; P198-D201 WeakPolarHBondContact CD-OD2 3.19Å; P198-D201 HydrophobicContact CG-CB 3.91Å; P198-D201 VanDerWaalsContact CG-CG 3.46Å; P198-D201 WeakPolarHBondContact CG-OD2 3.25Å; P198-D201 PolarHBondContact O-N 3.31Å; P198-D201 VanDerWaalsContact O-N 3.08Å; P199-D201 VanDerWaalsContact C-N 3.25Å; P199-D201 PolarHBondContact O-N 3.06Å
202	L	92.8	Very high	95.3	Very high	58 Å²	58	54.6 Å²	54.6	30%	0.304	28%	0.283	S	S	.	.	S	Bend	trans	-81.7	146.6	177.5	-62.1	-178	0	0	0	111	P195 N197 P199	P195-L202 HydrophobicContact CB-CD2 4.05Å; P195-L202 HydrophobicContact CG-CD2 3.39Å; N197-L202 HydrophobicContact CB-CD2 3.89Å; P199-L202 WeakPolarHBondContact O-CG 3.4Å; P199-L202 PolarHBondContact O-N 3.04Å
203	P	94.5	Very high	95.3	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.013	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-59.6	149.7	173	26.9	-35.8	0	0	0	110.7	F168 T178 H236 W245	F168-P203 HydrophobicContact CE2-CG 4.02Å; F168-P203 HydrophobicContact CZ-CB 4.24Å; F168-P203 HydrophobicContact CZ-CG 3.74Å; T178-P203 WeakPolarHBondContact CG2-O 3.24Å; P203-H236 HydrophobicContact CB-CB 4.01Å; P203-W245 HydrophobicContact CG-CD2 3.77Å; P203-W245 HydrophobicContact CG-CE3 4.08Å; P203-W245 HydrophobicContact CG-CG 4.28Å; P203-W245 HydrophobicContact CG-CH2 4.2Å; P203-W245 HydrophobicContact CG-CZ2 3.9Å; P203-W245 HydrophobicContact CG-CZ3 4.28Å
204	E	93.9	Very high	95.4	Very high	86 Å²	86	56.8 Å²	56.8	40%	0.402	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-65.5	145.2	174.3	-51.9	91.9	152.9	0	0	111.2	R206 Y230 H236	E204-R206 PolarHBondContact O-N 3.18Å; E204-R206 PolarHBondContact O-NE 3.11Å; E204-R206 IonicContact OE2-CZ 3.91Å; E204-R206 IonicContact OE2-NH2 2.63Å; E204-R206 PolarHBondContact OE2-NH2 2.9Å; E204-Y230 HydrophobicContact CB-CE2 3.89Å; E204-H236 IonicContact OE2-CE1 3.34Å; E204-H236 PolarHBondContact OE2-CE1 3.26Å; E204-H236 IonicContact OE2-ND1 3.59Å; E204-H236 IonicContact OE2-NE2 3.89Å
205	E	95.3	Very high	95.4	Very high	91 Å²	91	51.1 Å²	51.1	43%	0.425	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-57.9	134.4	176.9	63.9	-80.9	179.9	0	0	112.3	Y176 T178 Y230	Y176-E205 HydrophobicContact CD2-CG 4.47Å; Y176-E205 HydrophobicContact CG-CG 4.42Å; T178-E205 VanDerWaalsContact CG2-CA 3.43Å; T178-E205 HydrophobicContact CG2-CB 3.8Å; E205-Y230 PolarHBondContact O-OH 2.8Å
206	R	96.9	Very high	95.5	Very high	9 Å²	9	55.1 Å²	55.1	3%	0.034	29%	0.293	C	S	.	.			trans	-158.7	157.1	-172.2	59	-174.7	78.2	-157.3	1.8	115	F168 G170 S177 E204 G222 G224 Y230	F168-R206 HydrophobicContact CE1-CG 4.16Å; G170-R206 PolarHBondContact N-O 3.36Å; S177-R206 PolarHBondContact O-N 3.01Å; E204-R206 PolarHBondContact O-N 3.18Å; E204-R206 PolarHBondContact O-NE 3.11Å; E204-R206 IonicContact OE2-CZ 3.91Å; E204-R206 IonicContact OE2-NH2 2.63Å; E204-R206 PolarHBondContact OE2-NH2 2.9Å; R206-G222 PolarHBondContact NH1-O 3.1Å; R206-G222 VanDerWaalsContact NH1-O 3.13Å; R206-G224 VanDerWaalsContact CA-O 3.28Å; R206-G224 WeakPolarHBondContact CA-O 3.27Å; R206-Y230 HydrophobicContact CB-CD2 4.37Å; R206-Y230 HydrophobicContact CB-CE2 3.99Å
207	Y	96.8	Very high	95.5	Very high	26 Å²	26	52.6 Å²	52.6	10%	0.102	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-131.9	165.7	167.1	82.7	-41.4	0	0	0	110.5	Y154 T171 Y176 H209 G223 G224	Y154-Y207 HydrophobicContact CE2-CD2 4.36Å; Y154-Y207 HydrophobicContact CE2-CE2 4.49Å; T171-Y207 HydrophobicContact CG2-CD2 3.47Å; T171-Y207 VanDerWaalsContact CG2-CD2 3.47Å; T171-Y207 HydrophobicContact CG2-CE2 4.21Å; T171-Y207 HydrophobicContact CG2-CG 3.83Å; Y176-Y207 AromaticContact CD1-CD1 3.97Å; Y176-Y207 HydrophobicContact CD1-CD1 3.97Å; Y176-Y207 HydrophobicContact CD1-CG 4.27Å; Y176-Y207 AromaticContact CE1-CD1 3.6Å; Y176-Y207 HydrophobicContact CE1-CD1 3.6Å; Y176-Y207 AromaticContact CE1-CE1 3.9Å; Y176-Y207 HydrophobicContact CE1-CE1 3.9Å; Y176-Y207 HydrophobicContact CE1-CG 4.09Å; Y207-H209 PolarHBondContact O-N 2.99Å; Y207-H209 VanDerWaalsContact O-N 3.12Å; Y207-G223 WeakPolarHBondContact O-CA 3.31Å; Y207-G224 VanDerWaalsContact CD1-O 3.26Å; Y207-G224 WeakPolarHBondContact CD1-O 3.03Å; Y207-G224 PolarHBondContact N-O 2.95Å; Y207-G224 PolarHBondContact O-N 2.77Å
208	R	96.8	Very high	95.6	Very high	30 Å²	30	51.2 Å²	51.2	11%	0.113	27%	0.267	C	S	.	.	S	Bend	trans	56.9	28.2	177.8	-46.3	-58	-179.5	147.6	11.2	114.7	S102 G155 R263 C264 F312	S102-R208 PolarHBondContact OG-NH1 3.47Å; S102-R208 PolarHBondContact OG-NH2 3.4Å; G155-R208 PolarHBondContact O-N 2.86Å; R208-R263 HydrophobicContact CB-CB 4.17Å; R208-C264 HydrophobicContact CB-CB 4.47Å; R208-C264 VanDerWaalsContact CG-SG 3.59Å; R208-C264 PolarHBondContact O-N 2.84Å; R208-C264 VanDerWaalsContact O-N 3.07Å; R208-F312 HydrophobicContact CG-CE1 4.17Å
209	H	98.2	Very high	95.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	25%	0.247	C	C	.	.			trans	-82.6	168.9	160.3	56.6	-82.9	0	0	0	108.6	A157 F168 Y207 I220 L221 G222	A157-H209 WeakPolarHBondContact CB-NE2 3.42Å; F168-H209 AromaticContact CD1-CD2 3.99Å; F168-H209 AromaticContact CD1-CE1 3.91Å; F168-H209 AromaticContact CD1-NE2 3.36Å; F168-H209 WeakPolarHBondContact CD1-NE2 3.21Å; F168-H209 PolarHBondContact O-CE1 2.85Å; F168-H209 PolarHBondContact O-NE2 2.85Å; Y207-H209 PolarHBondContact O-N 2.99Å; Y207-H209 VanDerWaalsContact O-N 3.12Å; H209-I220 HydrophobicContact CB-CG2 4.06Å; H209-L221 WeakPolarHBondContact CA-O 3.44Å; H209-L221 WeakPolarHBondContact CB-O 3.46Å; H209-G222 WeakPolarHBondContact CB-O 3.44Å
210	E	98.1	Very high	96.3	Very high	20 Å²	20	43.1 Å²	43.1	9%	0.093	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	164.8	170.9	-66.7	-71.5	157.4	0	0	110.2	R42 L221 C267	R42-E210 IonicContact CZ-OE1 3.26Å; R42-E210 IonicContact NH1-OE1 3.3Å; R42-E210 PolarHBondContact NH1-OE1 3.46Å; R42-E210 IonicContact NH1-OE2 3.86Å; R42-E210 IonicContact NH2-OE1 3.69Å; R42-E210 IonicContact NH2-OE2 2.8Å; R42-E210 PolarHBondContact NH2-OE2 2.85Å; E210-L221 PolarHBondContact N-O 2.92Å; E210-L221 PolarHBondContact O-N 2.95Å; E210-C267 HydrophobicContact CB-CB 3.2Å; E210-C267 HydrophobicContact CG-CB 3.5Å
211	I	97.9	Very high	96.8	Very high	19 Å²	19	35.8 Å²	35.8	10%	0.097	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.3	-176.4	-74.6	173.6	0	0	0	111	A157 V159 F168 I218 Y219 I220	A157-I211 HydrophobicContact CB-CB 4.11Å; A157-I211 HydrophobicContact CB-CD1 3.43Å; A157-I211 VanDerWaalsContact CB-CD1 3.43Å; A157-I211 HydrophobicContact CB-CG1 3.46Å; A157-I211 VanDerWaalsContact CB-CG1 3.46Å; V159-I211 HydrophobicContact CB-CG2 3.86Å; V159-I211 HydrophobicContact CG1-CG2 3.67Å; V159-I211 HydrophobicContact CG2-CG2 4.48Å; F168-I211 HydrophobicContact CB-CD1 3.98Å; I211-I218 HydrophobicContact CD1-CG2 4.28Å; I211-I218 HydrophobicContact CG1-CG2 4.4Å; I211-I218 HydrophobicContact CG2-CG2 3.54Å; I211-Y219 WeakPolarHBondContact CA-O 3.38Å; I211-I220 HydrophobicContact CD1-CD1 4.05Å; I211-I220 HydrophobicContact CG1-CD1 3.69Å
212	A	98.4	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	169.3	165.1	0	0	0	0	0	110.4	Y219 L221 V274 L294	A212-Y219 PolarHBondContact N-O 3.03Å; A212-Y219 VanDerWaalsContact N-O 3.07Å; A212-Y219 PolarHBondContact O-N 2.91Å; A212-L221 HydrophobicContact CB-CD1 4.27Å; A212-V274 HydrophobicContact CB-CB 4.34Å; A212-V274 HydrophobicContact CB-CG1 3.96Å; A212-V274 HydrophobicContact CB-CG2 3.41Å; A212-V274 VanDerWaalsContact CB-CG2 3.41Å; A212-L294 HydrophobicContact CB-CD1 4.32Å
213	H	98.4	Very high	97.4	Very high	49 Å²	49	28.7 Å²	28.7	23%	0.227	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	150.9	178.6	70.4	97.2	0	0	0	113.4	V159 I161 G215 R217 Q269	V159-H213 VanDerWaalsContact CG2-CD2 3.4Å; V159-H213 WeakPolarHBondContact CG2-CD2 3.26Å; I161-H213 HydrophobicContact CD1-CB 3.55Å; I161-H213 HydrophobicContact CG1-CB 4.24Å; H213-G215 PolarHBondContact ND1-N 2.99Å; H213-R217 WeakPolarHBondContact CA-O 3.47Å; H213-R217 VanDerWaalsContact CB-O 3.25Å; H213-R217 WeakPolarHBondContact CB-O 3.06Å; H213-Q269 PolarHBondContact O-NE2 3.05Å; H213-Q269 PolarHBondContact O-OE1 2.99Å
214	D	97.8	Very high	97.5	Very high	54 Å²	54	28.6 Å²	28.6	29%	0.289	14%	0.138	S	C	.	.			trans	-103.3	6.4	169.4	62.3	16.1	0	0	0	112.6	Q216 R217 Y219	D214-Q216 VanDerWaalsContact C-N 3.31Å; D214-Q216 WeakPolarHBondContact OD1-CA 3.42Å; D214-Q216 WeakPolarHBondContact OD1-CB 3.43Å; D214-Q216 PolarHBondContact OD1-N 2.94Å; D214-R217 PolarHBondContact N-O 3.01Å; D214-R217 PolarHBondContact OD1-N 2.7Å; D214-Y219 HydrophobicContact CB-CE2 4.12Å; D214-Y219 PolarHBondContact OD2-OH 3.3Å
215	G	97	Very high	97.6	Very high	25 Å²	25	24.8 Å²	24.8	26%	0.258	12%	0.12	S	C	.	.	S	Bend	trans	91.1	-18.5	-175.8	0	0	0	0	0	114.1	H213	H213-G215 PolarHBondContact ND1-N 2.99Å
216	Q	96.9	Very high	97.4	Very high	121 Å²	121	23 Å²	23	57%	0.565	12%	0.118	S	C	*	.	S	Bend	trans	-105.5	-35.7	173	-63.3	176	41.8	0	0	111.4	D214 L240	D214-Q216 VanDerWaalsContact C-N 3.31Å; D214-Q216 WeakPolarHBondContact OD1-CA 3.42Å; D214-Q216 WeakPolarHBondContact OD1-CB 3.43Å; D214-Q216 PolarHBondContact OD1-N 2.94Å; Q216-L240 VanDerWaalsContact O-CB 3.27Å; Q216-L240 WeakPolarHBondContact O-CB 3.5Å; Q216-L240 WeakPolarHBondContact O-CG 3.2Å; Q216-L240 PolarHBondContact O-N 2.85Å
217	R	98.5	Very high	97	Very high	65 Å²	65	31.4 Å²	31.4	25%	0.245	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.2	179.9	-61.3	-173.2	-177.7	87.2	0.7	112.2	H213 D214 Y219 A237 Y238 N239 E246	H213-R217 WeakPolarHBondContact CA-O 3.47Å; H213-R217 VanDerWaalsContact CB-O 3.25Å; H213-R217 WeakPolarHBondContact CB-O 3.06Å; D214-R217 PolarHBondContact N-O 3.01Å; D214-R217 PolarHBondContact OD1-N 2.7Å; R217-Y219 HydrophobicContact CB-CE1 4.22Å; R217-Y219 HydrophobicContact CB-CE2 3.86Å; R217-A237 HydrophobicContact CB-CB 4.4Å; R217-Y238 CarbonylContact C-O 3.53Å; R217-Y238 WeakPolarHBondContact CA-O 3.47Å; R217-N239 HydrophobicContact CG-CB 4.41Å; R217-E246 IonicContact CZ-OE2 2.98Å; R217-E246 IonicContact NE-OE1 3.99Å; R217-E246 IonicContact NE-OE2 3.8Å; R217-E246 PolarHBondContact NE-OE2 3.16Å; R217-E246 IonicContact NH2-OE2 2.71Å; R217-E246 PolarHBondContact NH2-OE2 3.46Å
218	I	98.7	Very high	96.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.7	167.9	-58	178.9	0	0	0	108.1	I161 Y166 L180 I211 I220 A237 Y238 L240	I161-I218 HydrophobicContact CD1-CD1 4.05Å; I161-I218 HydrophobicContact CD1-CG1 3.63Å; Y166-I218 HydrophobicContact CD1-CD1 3.54Å; Y166-I218 HydrophobicContact CD2-CD1 4.1Å; Y166-I218 HydrophobicContact CE1-CD1 4.15Å; Y166-I218 HydrophobicContact CG-CD1 3.51Å; L180-I218 HydrophobicContact CD1-CD1 4.49Å; I211-I218 HydrophobicContact CD1-CG2 4.28Å; I211-I218 HydrophobicContact CG1-CG2 4.4Å; I211-I218 HydrophobicContact CG2-CG2 3.54Å; I218-I220 HydrophobicContact CG2-CD1 4.25Å; I218-A237 CarbonylContact O-C 3.26Å; I218-A237 VanDerWaalsContact O-CA 3.26Å; I218-A237 WeakPolarHBondContact O-CA 3.28Å; I218-Y238 PolarHBondContact N-O 2.76Å; I218-Y238 PolarHBondContact O-N 2.78Å; I218-L240 HydrophobicContact CD1-CD2 3.96Å; I218-L240 HydrophobicContact CG1-CD1 4.46Å; I218-L240 HydrophobicContact CG1-CD2 4.28Å; I218-L240 HydrophobicContact CG1-CG 4.48Å
219	Y	98.7	Very high	97	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.7	-178.9	-58.5	-83.9	0	0	0	110.9	I211 A212 D214 R217 I235 A237 L294 F297	I211-Y219 WeakPolarHBondContact CA-O 3.38Å; A212-Y219 PolarHBondContact N-O 3.03Å; A212-Y219 VanDerWaalsContact N-O 3.07Å; A212-Y219 PolarHBondContact O-N 2.91Å; D214-Y219 HydrophobicContact CB-CE2 4.12Å; D214-Y219 PolarHBondContact OD2-OH 3.3Å; R217-Y219 HydrophobicContact CB-CE1 4.22Å; R217-Y219 HydrophobicContact CB-CE2 3.86Å; Y219-I235 HydrophobicContact CD1-CD1 4.08Å; Y219-A237 HydrophobicContact CD1-CB 3.58Å; Y219-A237 HydrophobicContact CE1-CB 3.66Å; Y219-A237 HydrophobicContact CG-CB 4.5Å; Y219-L294 HydrophobicContact CD1-CD2 4.34Å; Y219-L294 HydrophobicContact CD2-CD1 3.94Å; Y219-L294 HydrophobicContact CD2-CD2 3.77Å; Y219-L294 HydrophobicContact CD2-CG 4.44Å; Y219-L294 HydrophobicContact CE2-CD1 3.95Å; Y219-L294 HydrophobicContact CE2-CD2 3.99Å; Y219-L294 HydrophobicContact CE2-CG 4.38Å; Y219-L294 HydrophobicContact CG-CD2 3.96Å; Y219-F297 HydrophobicContact CD1-CE1 4.33Å; Y219-F297 AromaticContact CE1-CE1 3.57Å; Y219-F297 HydrophobicContact CE1-CE1 3.57Å; Y219-F297 HydrophobicContact CE1-CZ 4Å
220	I	98.4	Very high	96.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.3	178.6	-51.6	-52.5	0	0	0	109.4	F168 H209 I211 I218 H236 W245	F168-I220 HydrophobicContact CB-CD1 4.38Å; F168-I220 HydrophobicContact CD1-CD1 3.41Å; F168-I220 VanDerWaalsContact CD1-CD1 3.41Å; F168-I220 HydrophobicContact CD1-CG1 3.93Å; F168-I220 HydrophobicContact CD1-CG2 4.26Å; F168-I220 HydrophobicContact CE1-CB 4.47Å; F168-I220 HydrophobicContact CE1-CD1 3.84Å; F168-I220 HydrophobicContact CE1-CG1 3.8Å; F168-I220 HydrophobicContact CE1-CG2 3.85Å; F168-I220 HydrophobicContact CG-CD1 3.95Å; F168-I220 HydrophobicContact CZ-CG1 4.38Å; H209-I220 HydrophobicContact CB-CG2 4.06Å; I211-I220 HydrophobicContact CD1-CD1 4.05Å; I211-I220 HydrophobicContact CG1-CD1 3.69Å; I218-I220 HydrophobicContact CG2-CD1 4.25Å; I220-H236 HydrophobicContact CB-CB 4.47Å; I220-H236 PolarHBondContact N-O 2.94Å; I220-W245 HydrophobicContact CD1-CH2 4.08Å; I220-W245 HydrophobicContact CD1-CZ3 4.36Å; I220-W245 HydrophobicContact CG1-CH2 3.76Å; I220-W245 HydrophobicContact CG1-CZ3 3.65Å
221	L	98.3	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116	-174.4	-61.9	174.1	0	0	0	110.9	H209 E210 A212 L232 I235 H265 V274 I276 L292 W299	H209-L221 WeakPolarHBondContact CA-O 3.44Å; H209-L221 WeakPolarHBondContact CB-O 3.46Å; E210-L221 PolarHBondContact N-O 2.92Å; E210-L221 PolarHBondContact O-N 2.95Å; A212-L221 HydrophobicContact CB-CD1 4.27Å; L221-L232 HydrophobicContact CD2-CD2 4.48Å; L221-I235 HydrophobicContact CD2-CB 4.47Å; L221-I235 HydrophobicContact CD2-CD1 4.02Å; L221-I235 HydrophobicContact CD2-CG2 3.95Å; L221-H265 PolarHBondContact O-CE1 2.94Å; L221-H265 VanDerWaalsContact O-CE1 3.32Å; L221-V274 HydrophobicContact CD1-CB 4.43Å; L221-V274 HydrophobicContact CD1-CG1 3.46Å; L221-V274 VanDerWaalsContact CD1-CG1 3.46Å; L221-I276 HydrophobicContact CD1-CG2 4.4Å; L221-L292 HydrophobicContact CD2-CD2 4Å; L221-W299 HydrophobicContact CD2-CZ2 4.45Å
222	G	97.8	Very high	97	Very high	2 Å²	2	35 Å²	35	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	63.5	-137.9	174.3	0	0	0	0	0	113.3	R206 H209	R206-G222 PolarHBondContact NH1-O 3.1Å; R206-G222 VanDerWaalsContact NH1-O 3.13Å; H209-G222 WeakPolarHBondContact CB-O 3.44Å
223	G	97.9	Very high	96.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.			trans	72.4	-165.7	-170.1	0	0	0	0	0	111.9	Y207 Y230 R262	Y207-G223 WeakPolarHBondContact O-CA 3.31Å; G223-Y230 PolarHBondContact O-N 3.4Å; G223-R262 PolarHBondContact N-O 3.38Å
224	G	96.4	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	164.9	-142.3	175.9	0	0	0	0	0	111.9	R206 Y207 T228	R206-G224 VanDerWaalsContact CA-O 3.28Å; R206-G224 WeakPolarHBondContact CA-O 3.27Å; Y207-G224 VanDerWaalsContact CD1-O 3.26Å; Y207-G224 WeakPolarHBondContact CD1-O 3.03Å; Y207-G224 PolarHBondContact N-O 2.95Å; Y207-G224 PolarHBondContact O-N 2.77Å; G224-T228 CarbonylContact C-O 3.56Å; G224-T228 VanDerWaalsContact CA-O 3.31Å; G224-T228 WeakPolarHBondContact CA-O 3.15Å
225	T	95.6	Very high	96.9	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.031	19%	0.188	C	C	.	.			trans	-105.3	-174.2	172.1	68.7	0	0	0	0	109.8	Y176 W227 T228	Y176-T225 HydrophobicContact CD2-CG2 4.06Å; Y176-T225 HydrophobicContact CE2-CG2 3.95Å; T225-W227 HydrophobicContact CG2-CZ2 4.34Å; T225-W227 PolarHBondContact O-N 2.9Å; T225-W227 VanDerWaalsContact OG1-CE2 3.31Å; T225-W227 PolarHBondContact OG1-N 2.96Å; T225-W227 PolarHBondContact OG1-NE1 3.46Å; T225-T228 PolarHBondContact N-O 3.13Å; T225-T228 PolarHBondContact OG1-N 2.9Å
226	S	91.1	Very high	97	Very high	54 Å²	54	37 Å²	37	38%	0.378	18%	0.18	S	C	.	.	S	Bend	trans	-66.4	-25.8	176.4	55.7	0	0	0	0	112.7	Y176 R263	Y176-S226 WeakPolarHBondContact OH-CB 3.5Å; Y176-S226 PolarHBondContact OH-N 2.85Å; Y176-S226 PolarHBondContact OH-OG 2.8Å; Y176-S226 VanDerWaalsContact OH-OG 3.11Å; S226-R263 PolarHBondContact O-NH2 3.38Å
227	W	89.9	Confident	97	Very high	185 Å²	185	31.2 Å²	31.2	70%	0.701	15%	0.153	S	C	*	.	S	Bend	trans	-105.4	-25.6	-179.1	51.1	87.5	0	0	0	114.2	Y176 T225	Y176-W227 HydrophobicContact CE2-CH2 4.11Å; T225-W227 HydrophobicContact CG2-CZ2 4.34Å; T225-W227 PolarHBondContact O-N 2.9Å; T225-W227 VanDerWaalsContact OG1-CE2 3.31Å; T225-W227 PolarHBondContact OG1-N 2.96Å; T225-W227 PolarHBondContact OG1-NE1 3.46Å
228	T	94.9	Very high	97	Very high	57 Å²	57	28.1 Å²	28.1	35%	0.35	14%	0.141	S	C	.	.			trans	-115.7	136.2	-176.2	-59	0	0	0	0	111.5	G224 T225 Y230	G224-T228 CarbonylContact C-O 3.56Å; G224-T228 VanDerWaalsContact CA-O 3.31Å; G224-T228 WeakPolarHBondContact CA-O 3.15Å; T225-T228 PolarHBondContact N-O 3.13Å; T225-T228 PolarHBondContact OG1-N 2.9Å; T228-Y230 HydrophobicContact CG2-CD1 3.82Å; T228-Y230 HydrophobicContact CG2-CE1 3.77Å
229	S	97.8	Very high	97	Very high	14 Å²	14	28.8 Å²	28.8	10%	0.098	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-102.8	132.3	162.2	-53.3	0	0	0	0	108.8	P261 R263 N281	S229-P261 WeakPolarHBondContact O-CB 3.13Å; S229-R263 PolarHBondContact OG-NH1 3.49Å; S229-N281 VanDerWaalsContact OG-C 3.27Å; S229-N281 PolarHBondContact OG-O 2.92Å
230	Y	97.5	Very high	96.9	Very high	33 Å²	33	31 Å²	31	13%	0.129	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-83.2	145.6	-179.4	-62.9	-38.7	0	0	0	112.3	E204 E205 R206 G223 T228 P261	E204-Y230 HydrophobicContact CB-CE2 3.89Å; E205-Y230 PolarHBondContact O-OH 2.8Å; R206-Y230 HydrophobicContact CB-CD2 4.37Å; R206-Y230 HydrophobicContact CB-CE2 3.99Å; G223-Y230 PolarHBondContact O-N 3.4Å; T228-Y230 HydrophobicContact CG2-CD1 3.82Å; T228-Y230 HydrophobicContact CG2-CE1 3.77Å; Y230-P261 WeakPolarHBondContact O-CA 3.09Å; Y230-P261 WeakPolarHBondContact O-CB 3.5Å
231	P	97.7	Very high	96.9	Very high	69 Å²	69	38.8 Å²	38.8	45%	0.448	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-71.3	169.1	-179.3	34.2	-37.7	0	0	0	111.7	D233 P261	P231-D233 VanDerWaalsContact CB-OD1 3.32Å; P231-D233 WeakPolarHBondContact CB-OD1 3.27Å; P231-P261 HydrophobicContact CB-CG 4.23Å
232	L	98.3	Very high	96.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-121.3	8.8	-175.3	-73.3	167.8	0	0	0	112.5	L221 K234 I235 T250 P259 R262 I276 W299	L221-L232 HydrophobicContact CD2-CD2 4.48Å; L232-K234 VanDerWaalsContact C-N 3.29Å; L232-I235 HydrophobicContact CD2-CG2 4.22Å; L232-T250 PolarHBondContact O-OG1 3.03Å; L232-P259 HydrophobicContact CD1-CB 3.84Å; L232-P259 HydrophobicContact CD1-CG 4.11Å; L232-R262 HydrophobicContact CD1-CG 4.31Å; L232-I276 HydrophobicContact CD1-CD1 3.64Å; L232-W299 HydrophobicContact CB-CZ2 4.11Å; L232-W299 HydrophobicContact CD1-CZ2 4.44Å; L232-W299 HydrophobicContact CD2-CZ2 4.2Å; L232-W299 HydrophobicContact CG-CZ2 4.5Å; L232-W299 PolarHBondContact O-NE1 2.06Å
233	D	98.3	Very high	96.8	Very high	55 Å²	55	43.8 Å²	43.8	29%	0.294	22%	0.221	S	C	.	.	S	Bend	trans	-70.1	-30.3	170.2	64.4	-37	0	0	0	111.3	P231 T250 Y258	P231-D233 VanDerWaalsContact CB-OD1 3.32Å; P231-D233 WeakPolarHBondContact CB-OD1 3.27Å; D233-T250 VanDerWaalsContact C-OG1 3.31Å; D233-T250 WeakPolarHBondContact CA-OG1 3.47Å; D233-T250 PolarHBondContact O-N 3.48Å; D233-T250 PolarHBondContact O-OG1 2.88Å; D233-Y258 HydrophobicContact CB-CD1 3.95Å; D233-Y258 HydrophobicContact CB-CD2 3.87Å; D233-Y258 HydrophobicContact CB-CE1 3.8Å; D233-Y258 HydrophobicContact CB-CE2 3.69Å; D233-Y258 HydrophobicContact CB-CG 3.98Å
234	K	97.8	Very high	96.8	Very high	91 Å²	91	44.9 Å²	44.9	40%	0.396	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140	168.1	-67.4	165.6	161.6	-142.1	0	110.4	L232 E247 I248	L232-K234 VanDerWaalsContact C-N 3.29Å; K234-E247 HydrophobicContact CB-CG 4.19Å; K234-E247 HydrophobicContact CD-CG 4.48Å; K234-E247 WeakPolarHBondContact CE-OE1 3.26Å; K234-E247 HydrophobicContact CG-CG 4.49Å; K234-E247 IonicContact NZ-OE1 2.71Å; K234-E247 PolarHBondContact NZ-OE1 3.31Å; K234-E247 IonicContact NZ-OE2 3.36Å; K234-E247 PolarHBondContact NZ-OE2 2.94Å; K234-I248 WeakPolarHBondContact CA-O 3.29Å
235	I	97.6	Very high	96.9	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.6	176.8	65.7	175.5	0	0	0	110.2	Y219 L221 L232 I248 T250 L292	Y219-I235 HydrophobicContact CD1-CD1 4.08Å; L221-I235 HydrophobicContact CD2-CB 4.47Å; L221-I235 HydrophobicContact CD2-CD1 4.02Å; L221-I235 HydrophobicContact CD2-CG2 3.95Å; L232-I235 HydrophobicContact CD2-CG2 4.22Å; I235-I248 HydrophobicContact CG1-CB 3.99Å; I235-I248 PolarHBondContact N-O 3.15Å; I235-I248 PolarHBondContact O-N 2.85Å; I235-T250 HydrophobicContact CD1-CG2 4.07Å; I235-T250 HydrophobicContact CG1-CG2 3.97Å; I235-T250 HydrophobicContact CG2-CG2 4.03Å; I235-L292 HydrophobicContact CD1-CD2 3.83Å
236	H	97.9	Very high	97	Very high	19 Å²	19	47.8 Å²	47.8	9%	0.088	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.9	175.9	-68.7	90.7	0	0	0	110.3	P203 E204 I220 W245	P203-H236 HydrophobicContact CB-CB 4.01Å; E204-H236 IonicContact OE2-CE1 3.34Å; E204-H236 PolarHBondContact OE2-CE1 3.26Å; E204-H236 IonicContact OE2-ND1 3.59Å; E204-H236 IonicContact OE2-NE2 3.89Å; I220-H236 HydrophobicContact CB-CB 4.47Å; I220-H236 PolarHBondContact N-O 2.94Å; H236-W245 HydrophobicContact CB-CE3 3.98Å; H236-W245 HydrophobicContact CB-CZ3 4.05Å
237	A	98.1	Very high	97.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.7	175.9	0	0	0	0	0	110.3	R217 I218 Y219 W245 E246 I248	R217-A237 HydrophobicContact CB-CB 4.4Å; I218-A237 CarbonylContact O-C 3.26Å; I218-A237 VanDerWaalsContact O-CA 3.26Å; I218-A237 WeakPolarHBondContact O-CA 3.28Å; Y219-A237 HydrophobicContact CD1-CB 3.58Å; Y219-A237 HydrophobicContact CE1-CB 3.66Å; Y219-A237 HydrophobicContact CG-CB 4.5Å; A237-W245 CarbonylContact O-C 3.55Å; A237-W245 WeakPolarHBondContact O-CA 3.18Å; A237-E246 PolarHBondContact N-O 2.82Å; A237-E246 PolarHBondContact O-N 2.74Å; A237-I248 HydrophobicContact CB-CG1 3.79Å
238	Y	98.6	Very high	97.6	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	114.9	174.1	-171.3	-97.6	0	0	0	110.3	L180 L193 P195 R217 I218 L240 N243 W245	L180-Y238 HydrophobicContact CD2-CD1 3.34Å; L180-Y238 HydrophobicContact CD2-CD2 3.8Å; L180-Y238 HydrophobicContact CD2-CE1 3.44Å; L180-Y238 VanDerWaalsContact CD2-CE1 3.44Å; L180-Y238 HydrophobicContact CD2-CE2 3.88Å; L180-Y238 HydrophobicContact CD2-CG 3.5Å; L180-Y238 VanDerWaalsContact CD2-CG 3.5Å; L193-Y238 HydrophobicContact CD1-CE1 4.1Å; P195-Y238 HydrophobicContact CB-CE2 4.19Å; R217-Y238 CarbonylContact C-O 3.53Å; R217-Y238 WeakPolarHBondContact CA-O 3.47Å; I218-Y238 PolarHBondContact N-O 2.76Å; I218-Y238 PolarHBondContact O-N 2.78Å; Y238-L240 HydrophobicContact CD1-CD2 3.91Å; Y238-L240 HydrophobicContact CE1-CD2 4.1Å; Y238-N243 VanDerWaalsContact OH-CG 3.27Å; Y238-N243 PolarHBondContact OH-OD1 3.2Å; Y238-W245 AromaticContact CD2-CD1 3.86Å; Y238-W245 AromaticContact CD2-CD2 3.65Å; Y238-W245 HydrophobicContact CD2-CD2 3.65Å; Y238-W245 AromaticContact CD2-CE2 3.45Å; Y238-W245 VanDerWaalsContact CD2-CE2 3.45Å; Y238-W245 HydrophobicContact CD2-CE3 4.24Å; Y238-W245 AromaticContact CD2-CG 3.9Å; Y238-W245 HydrophobicContact CD2-CG 3.9Å; Y238-W245 HydrophobicContact CD2-CH2 4.45Å; Y238-W245 AromaticContact CD2-CZ2 3.87Å; Y238-W245 HydrophobicContact CD2-CZ2 3.87Å; Y238-W245 AromaticContact CD2-NE1 3.6Å; Y238-W245 AromaticContact CE2-NE1 3.95Å; Y238-W245 HydrophobicContact CG-CD2 4.38Å; Y238-W245 HydrophobicContact CG-CZ2 4.3Å
239	N	98.3	Very high	97.8	Very high	13 Å²	13	44 Å²	44	7%	0.07	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116.2	177.1	-175.7	-32.8	0	0	0	110.5	R217 E241 T242 N243 S244 E246	R217-N239 HydrophobicContact CG-CB 4.41Å; N239-E241 VanDerWaalsContact C-N 3.31Å; N239-E241 PolarHBondContact O-N 2.91Å; N239-E241 WeakPolarHBondContact OD1-CB 3.43Å; N239-E241 PolarHBondContact OD1-N 2.58Å; N239-T242 VanDerWaalsContact CB-OG1 3.28Å; N239-T242 WeakPolarHBondContact CB-OG1 3.24Å; N239-T242 PolarHBondContact OD1-N 2.82Å; N239-T242 VanDerWaalsContact OD1-N 3.13Å; N239-T242 PolarHBondContact OD1-OG1 2.83Å; N239-N243 WeakPolarHBondContact O-CA 3.48Å; N239-N243 PolarHBondContact O-N 2.84Å; N239-S244 PolarHBondContact N-O 2.85Å; N239-S244 PolarHBondContact O-N 2.8Å; N239-E246 WeakPolarHBondContact CB-OE1 3.27Å; N239-E246 PolarHBondContact ND2-OE1 2.96Å
240	L	97.8	Very high	97.8	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.246	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-22.8	-175.5	-64.6	172.3	0	0	0	113.2	I161 Y166 Q216 I218 Y238	I161-L240 HydrophobicContact CD1-CD1 4.15Å; I161-L240 HydrophobicContact CG2-CD1 4.3Å; Y166-L240 HydrophobicContact CD1-CD2 4.29Å; Y166-L240 HydrophobicContact CE1-CD2 3.51Å; Q216-L240 VanDerWaalsContact O-CB 3.27Å; Q216-L240 WeakPolarHBondContact O-CB 3.5Å; Q216-L240 WeakPolarHBondContact O-CG 3.2Å; Q216-L240 PolarHBondContact O-N 2.85Å; I218-L240 HydrophobicContact CD1-CD2 3.96Å; I218-L240 HydrophobicContact CG1-CD1 4.46Å; I218-L240 HydrophobicContact CG1-CD2 4.28Å; I218-L240 HydrophobicContact CG1-CG 4.48Å; Y238-L240 HydrophobicContact CD1-CD2 3.91Å; Y238-L240 HydrophobicContact CE1-CD2 4.1Å
241	E	96.9	Very high	97.9	Very high	165 Å²	165	47 Å²	47	77%	0.771	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-48.2	178.4	-177.2	178.2	-175.6	0	0	111	N239 N243	N239-E241 VanDerWaalsContact C-N 3.31Å; N239-E241 PolarHBondContact O-N 2.91Å; N239-E241 WeakPolarHBondContact OD1-CB 3.43Å; N239-E241 PolarHBondContact OD1-N 2.58Å; E241-N243 VanDerWaalsContact C-N 3.34Å
242	T	97.3	Very high	97.9	Very high	66 Å²	66	46.2 Å²	46.2	41%	0.405	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.1	-178.2	63.4	0	0	0	0	113.2	N196 N239 S244	N196-T242 PolarHBondContact ND2-O 2.99Å; N239-T242 VanDerWaalsContact CB-OG1 3.28Å; N239-T242 WeakPolarHBondContact CB-OG1 3.24Å; N239-T242 PolarHBondContact OD1-N 2.82Å; N239-T242 VanDerWaalsContact OD1-N 3.13Å; N239-T242 PolarHBondContact OD1-OG1 2.83Å; T242-S244 VanDerWaalsContact C-N 3.28Å; T242-S244 PolarHBondContact O-N 3.22Å; T242-S244 PolarHBondContact O-OG 2.87Å
243	N	97.4	Very high	97.9	Very high	41 Å²	41	48.2 Å²	48.2	22%	0.219	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	44.4	-175.8	179.6	80.6	0	0	0	110.9	K194 P195 N196 Y238 N239 E241	K194-N243 PolarHBondContact O-ND2 2.88Å; P195-N243 CarbonylContact C-O 3.57Å; P195-N243 VanDerWaalsContact CA-O 3.29Å; P195-N243 WeakPolarHBondContact CA-O 3.09Å; N196-N243 PolarHBondContact N-O 2.87Å; N196-N243 PolarHBondContact ND2-ND2 3.35Å; N196-N243 PolarHBondContact OD1-ND2 3Å; Y238-N243 VanDerWaalsContact OH-CG 3.27Å; Y238-N243 PolarHBondContact OH-OD1 3.2Å; N239-N243 WeakPolarHBondContact O-CA 3.48Å; N239-N243 PolarHBondContact O-N 2.84Å; E241-N243 VanDerWaalsContact C-N 3.34Å
244	S	97.8	Very high	97.8	Very high	24 Å²	24	54.3 Å²	54.3	17%	0.168	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.9	-176.8	-61.3	0	0	0	0	112.4	N197 N239 T242	N197-S244 WeakPolarHBondContact OD1-CA 3.35Å; N197-S244 WeakPolarHBondContact OD1-CB 3.13Å; N239-S244 PolarHBondContact N-O 2.85Å; N239-S244 PolarHBondContact O-N 2.8Å; T242-S244 VanDerWaalsContact C-N 3.28Å; T242-S244 PolarHBondContact O-N 3.22Å; T242-S244 PolarHBondContact O-OG 2.87Å
245	W	98.1	Very high	97.7	Very high	12 Å²	12	58.9 Å²	58.9	5%	0.045	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	144.2	166.3	-69.4	102.4	0	0	0	111.5	F168 N197 P203 I220 H236 A237 Y238	F168-W245 AromaticContact CD2-CH2 3.75Å; F168-W245 HydrophobicContact CD2-CH2 3.75Å; F168-W245 AromaticContact CD2-CZ2 3.61Å; F168-W245 HydrophobicContact CD2-CZ2 3.61Å; F168-W245 HydrophobicContact CE1-CH2 4.43Å; F168-W245 AromaticContact CE2-CH2 3.48Å; F168-W245 HydrophobicContact CE2-CH2 3.48Å; F168-W245 VanDerWaalsContact CE2-CH2 3.48Å; F168-W245 AromaticContact CE2-CZ2 3.24Å; F168-W245 HydrophobicContact CE2-CZ2 3.24Å; F168-W245 HydrophobicContact CG-CH2 4.31Å; F168-W245 AromaticContact CZ-CH2 3.87Å; F168-W245 HydrophobicContact CZ-CH2 3.87Å; F168-W245 HydrophobicContact CZ-CZ2 4.01Å; N197-W245 PolarHBondContact ND2-O 3.33Å; N197-W245 PolarHBondContact OD1-N 3.05Å; P203-W245 HydrophobicContact CG-CD2 3.77Å; P203-W245 HydrophobicContact CG-CE3 4.08Å; P203-W245 HydrophobicContact CG-CG 4.28Å; P203-W245 HydrophobicContact CG-CH2 4.2Å; P203-W245 HydrophobicContact CG-CZ2 3.9Å; P203-W245 HydrophobicContact CG-CZ3 4.28Å; I220-W245 HydrophobicContact CD1-CH2 4.08Å; I220-W245 HydrophobicContact CD1-CZ3 4.36Å; I220-W245 HydrophobicContact CG1-CH2 3.76Å; I220-W245 HydrophobicContact CG1-CZ3 3.65Å; H236-W245 HydrophobicContact CB-CE3 3.98Å; H236-W245 HydrophobicContact CB-CZ3 4.05Å; A237-W245 CarbonylContact O-C 3.55Å; A237-W245 WeakPolarHBondContact O-CA 3.18Å; Y238-W245 AromaticContact CD2-CD1 3.86Å; Y238-W245 AromaticContact CD2-CD2 3.65Å; Y238-W245 HydrophobicContact CD2-CD2 3.65Å; Y238-W245 AromaticContact CD2-CE2 3.45Å; Y238-W245 VanDerWaalsContact CD2-CE2 3.45Å; Y238-W245 HydrophobicContact CD2-CE3 4.24Å; Y238-W245 AromaticContact CD2-CG 3.9Å; Y238-W245 HydrophobicContact CD2-CG 3.9Å; Y238-W245 HydrophobicContact CD2-CH2 4.45Å; Y238-W245 AromaticContact CD2-CZ2 3.87Å; Y238-W245 HydrophobicContact CD2-CZ2 3.87Å; Y238-W245 AromaticContact CD2-NE1 3.6Å; Y238-W245 AromaticContact CE2-NE1 3.95Å; Y238-W245 HydrophobicContact CG-CD2 4.38Å; Y238-W245 HydrophobicContact CG-CZ2 4.3Å
246	E	97.1	Very high	97.7	Very high	54 Å²	54	63.2 Å²	63.2	25%	0.252	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.5	174.2	-62.2	171.2	-170.5	0	0	107.8	R217 A237 N239 I248	R217-E246 IonicContact CZ-OE2 2.98Å; R217-E246 IonicContact NE-OE1 3.99Å; R217-E246 IonicContact NE-OE2 3.8Å; R217-E246 PolarHBondContact NE-OE2 3.16Å; R217-E246 IonicContact NH2-OE2 2.71Å; R217-E246 PolarHBondContact NH2-OE2 3.46Å; A237-E246 PolarHBondContact N-O 2.82Å; A237-E246 PolarHBondContact O-N 2.74Å; N239-E246 WeakPolarHBondContact CB-OE1 3.27Å; N239-E246 PolarHBondContact ND2-OE1 2.96Å; E246-I248 HydrophobicContact CB-CD1 4.18Å
247	E	97.3	Very high	97.7	Very high	101 Å²	101	63.4 Å²	63.4	47%	0.472	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.2	166.8	-171.5	-171.8	79.2	0	0	108.8	K234	K234-E247 HydrophobicContact CB-CG 4.19Å; K234-E247 HydrophobicContact CD-CG 4.48Å; K234-E247 WeakPolarHBondContact CE-OE1 3.26Å; K234-E247 HydrophobicContact CG-CG 4.49Å; K234-E247 IonicContact NZ-OE1 2.71Å; K234-E247 PolarHBondContact NZ-OE1 3.31Å; K234-E247 IonicContact NZ-OE2 3.36Å; K234-E247 PolarHBondContact NZ-OE2 2.94Å
248	I	97.9	Very high	97.7	Very high	24 Å²	24	67.5 Å²	67.5	12%	0.123	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.6	-179.7	-53.6	-60.9	0	0	0	109.3	K234 I235 A237 E246 T250 F297	K234-I248 WeakPolarHBondContact CA-O 3.29Å; I235-I248 HydrophobicContact CG1-CB 3.99Å; I235-I248 PolarHBondContact N-O 3.15Å; I235-I248 PolarHBondContact O-N 2.85Å; A237-I248 HydrophobicContact CB-CG1 3.79Å; E246-I248 HydrophobicContact CB-CD1 4.18Å; I248-T250 PolarHBondContact O-N 3.16Å; I248-F297 HydrophobicContact CG2-CB 4.37Å; I248-F297 HydrophobicContact CG2-CD1 3.67Å; I248-F297 HydrophobicContact CG2-CD2 3.67Å; I248-F297 HydrophobicContact CG2-CE1 3.78Å; I248-F297 HydrophobicContact CG2-CE2 3.77Å; I248-F297 HydrophobicContact CG2-CG 3.62Å; I248-F297 HydrophobicContact CG2-CZ 3.83Å
249	T	98.4	Very high	97.7	Very high	90 Å²	90	67.6 Å²	67.6	55%	0.552	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	118.9	169.4	-54.9	0	0	0	0	109.8
250	T	98.6	Very high	97.7	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.012	35%	0.347	C	S	.	.			trans	-84.3	165	175.2	70.8	0	0	0	0	111.3	L232 D233 I235 I248 Y258 L292 F297 W299	L232-T250 PolarHBondContact O-OG1 3.03Å; D233-T250 VanDerWaalsContact C-OG1 3.31Å; D233-T250 WeakPolarHBondContact CA-OG1 3.47Å; D233-T250 PolarHBondContact O-N 3.48Å; D233-T250 PolarHBondContact O-OG1 2.88Å; I235-T250 HydrophobicContact CD1-CG2 4.07Å; I235-T250 HydrophobicContact CG1-CG2 3.97Å; I235-T250 HydrophobicContact CG2-CG2 4.03Å; I248-T250 PolarHBondContact O-N 3.16Å; T250-Y258 PolarHBondContact O-OH 3.25Å; T250-Y258 WeakPolarHBondContact OG1-CE1 3.35Å; T250-L292 HydrophobicContact CG2-CD1 4.38Å; T250-F297 CarbonylContact C-O 3.51Å; T250-F297 WeakPolarHBondContact CA-O 3.47Å; T250-F297 WeakPolarHBondContact CB-O 3.38Å; T250-W299 PolarHBondContact OG1-NE1 2.99Å
251	K	98.8	Very high	97.8	Very high	110 Å²	110	68.7 Å²	68.7	48%	0.478	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-105.3	135.8	177.2	-56.9	177.7	-173.9	172	0	109.7	T296 F297 Q298 W299	K251-T296 WeakPolarHBondContact CE-O 3.16Å; K251-F297 PolarHBondContact N-O 2.78Å; K251-Q298 VanDerWaalsContact CB-OE1 3.28Å; K251-Q298 PolarHBondContact O-NE2 3.11Å; K251-W299 WeakPolarHBondContact O-CB 3.49Å; K251-W299 PolarHBondContact O-N 3.18Å
252	P	98.6	Very high	97.8	Very high	51 Å²	51	60.8 Å²	60.8	33%	0.331	31%	0.314	S	S	.	.			trans	-75.3	154.4	-177	29.8	-30.6	0	0	0	110.8	E254 Y258 Q298	P252-E254 PolarHBondContact O-N 3.01Å; P252-Y258 HydrophobicContact CB-CD1 4.11Å; P252-Y258 HydrophobicContact CB-CD2 4.12Å; P252-Y258 HydrophobicContact CB-CE1 3.76Å; P252-Y258 HydrophobicContact CB-CE2 3.8Å; P252-Y258 HydrophobicContact CB-CG 4.28Å; P252-Y258 WeakPolarHBondContact CD-OH 3.36Å; P252-Y258 HydrophobicContact CG-CE1 4.38Å; P252-Y258 HydrophobicContact CG-CE2 4.32Å; P252-Q298 VanDerWaalsContact C-NE2 3.26Å; P252-Q298 PolarHBondContact O-NE2 2.87Å
253	H	98.3	Very high	97.9	Very high	44 Å²	44	58.7 Å²	58.7	20%	0.204	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-61.1	130.9	163.2	176.9	-91	0	0	0	109.8	K255 I256 G257 W290 W299	H253-K255 PolarHBondContact ND1-N 3.06Å; H253-K255 PolarHBondContact O-N 2.88Å; H253-I256 WeakPolarHBondContact ND1-CG1 3.32Å; H253-I256 PolarHBondContact ND1-N 2.74Å; H253-I256 PolarHBondContact O-N 3.13Å; H253-G257 WeakPolarHBondContact CB-O 3.17Å; H253-G257 PolarHBondContact N-O 3.19Å; H253-G257 PolarHBondContact O-N 2.72Å; H253-W290 HydrophobicContact CB-CH2 4.47Å; H253-W290 HydrophobicContact CB-CZ3 3.84Å; H253-W299 WeakPolarHBondContact CA-O 3.42Å
254	E	95.3	Very high	97.9	Very high	182 Å²	182	57.1 Å²	57.1	85%	0.85	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-38.3	-167.6	-63.8	-179.4	172.3	0	0	114.9	P252	P252-E254 PolarHBondContact O-N 3.01Å
255	K	96.3	Very high	97.9	Very high	187 Å²	187	56 Å²	56	81%	0.813	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-22.1	-174.9	-62.2	-178.2	-178.9	177.5	0	115	H253	H253-K255 PolarHBondContact ND1-N 3.06Å; H253-K255 PolarHBondContact O-N 2.88Å
256	I	97.3	Very high	97.9	Very high	94 Å²	94	55.6 Å²	55.6	48%	0.482	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-23.7	-165.3	-57.5	173.5	0	0	0	110.8	H253 W290 K301	H253-I256 WeakPolarHBondContact ND1-CG1 3.32Å; H253-I256 PolarHBondContact ND1-N 2.74Å; H253-I256 PolarHBondContact O-N 3.13Å; I256-W290 HydrophobicContact CB-CH2 4.19Å; I256-W290 HydrophobicContact CG2-CH2 3.7Å; I256-W290 HydrophobicContact CG2-CZ2 4.03Å; I256-K301 HydrophobicContact CD1-CB 3.81Å; I256-K301 HydrophobicContact CD1-CD 3.81Å; I256-K301 HydrophobicContact CD1-CG 4.36Å; I256-K301 HydrophobicContact CG2-CD 4.33Å
257	G	98.1	Very high	98	Very high	23 Å²	23	53.8 Å²	53.8	24%	0.237	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	89.4	-141.5	-173.6	0	0	0	0	0	111.7	H253	H253-G257 WeakPolarHBondContact CB-O 3.17Å; H253-G257 PolarHBondContact N-O 3.19Å; H253-G257 PolarHBondContact O-N 2.72Å
258	Y	98.6	Very high	98	Very high	87 Å²	87	49.4 Å²	49.4	34%	0.341	26%	0.255	S	S	.	.	S	Bend	trans	-96.6	158	-176.5	-61.5	-78.8	0	0	0	111.8	D233 T250 P252 W299	D233-Y258 HydrophobicContact CB-CD1 3.95Å; D233-Y258 HydrophobicContact CB-CD2 3.87Å; D233-Y258 HydrophobicContact CB-CE1 3.8Å; D233-Y258 HydrophobicContact CB-CE2 3.69Å; D233-Y258 HydrophobicContact CB-CG 3.98Å; T250-Y258 PolarHBondContact O-OH 3.25Å; T250-Y258 WeakPolarHBondContact OG1-CE1 3.35Å; P252-Y258 HydrophobicContact CB-CD1 4.11Å; P252-Y258 HydrophobicContact CB-CD2 4.12Å; P252-Y258 HydrophobicContact CB-CE1 3.76Å; P252-Y258 HydrophobicContact CB-CE2 3.8Å; P252-Y258 HydrophobicContact CB-CG 4.28Å; P252-Y258 WeakPolarHBondContact CD-OH 3.36Å; P252-Y258 HydrophobicContact CG-CE1 4.38Å; P252-Y258 HydrophobicContact CG-CE2 4.32Å; Y258-W299 AromaticContact CD1-CD1 3.79Å
259	P	98.5	Very high	98.1	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.019	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-57.7	141.6	163.3	-8.1	18.3	0	0	0	110	L232 I276 W290 W299	L232-P259 HydrophobicContact CD1-CB 3.84Å; L232-P259 HydrophobicContact CD1-CG 4.11Å; P259-I276 HydrophobicContact CB-CD1 4.04Å; P259-I276 HydrophobicContact CG-CD1 4.11Å; P259-W290 HydrophobicContact CB-CB 4.41Å; P259-W290 HydrophobicContact CB-CD2 3.73Å; P259-W290 HydrophobicContact CB-CE3 4.28Å; P259-W290 HydrophobicContact CB-CG 3.77Å; P259-W290 HydrophobicContact CB-CZ2 4.37Å; P259-W290 HydrophobicContact CG-CB 4.05Å; P259-W290 HydrophobicContact CG-CD2 3.55Å; P259-W290 HydrophobicContact CG-CE3 3.66Å; P259-W290 HydrophobicContact CG-CG 3.74Å; P259-W290 HydrophobicContact CG-CZ3 4.23Å; P259-W299 HydrophobicContact CG-CD2 3.58Å; P259-W299 HydrophobicContact CG-CE3 3.51Å; P259-W299 HydrophobicContact CG-CG 4.16Å; P259-W299 HydrophobicContact CG-CH2 4.17Å; P259-W299 HydrophobicContact CG-CZ2 4.22Å; P259-W299 HydrophobicContact CG-CZ3 3.81Å
260	A	98.4	Very high	98	Very high	33 Å²	33	47.8 Å²	47.8	27%	0.273	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-56.9	145.5	173.6	0	0	0	0	0	111.2	R262 L286	A260-R262 PolarHBondContact O-N 3Å; A260-R262 PolarHBondContact O-NE 3.24Å; A260-L286 HydrophobicContact CB-CD1 4.35Å
261	P	98.5	Very high	97.8	Very high	49 Å²	49	58.3 Å²	58.3	32%	0.318	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-50.1	134.3	170.4	-25.1	32.7	0	0	0	110.7	S229 Y230 P231 N281	S229-P261 WeakPolarHBondContact O-CB 3.13Å; Y230-P261 WeakPolarHBondContact O-CA 3.09Å; Y230-P261 WeakPolarHBondContact O-CB 3.5Å; P231-P261 HydrophobicContact CB-CG 4.23Å; P261-N281 VanDerWaalsContact O-CA 3.29Å; P261-N281 WeakPolarHBondContact O-CA 3.28Å; P261-N281 WeakPolarHBondContact O-CB 3.19Å
262	R	98.3	Very high	97.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.271	C	S	.	.			trans	-153.9	147	-173.2	63.5	-175.2	75.2	-156	0.5	114.4	G223 L232 A260 H265 G278 Y280 L286 D288	G223-R262 PolarHBondContact N-O 3.38Å; L232-R262 HydrophobicContact CD1-CG 4.31Å; A260-R262 PolarHBondContact O-N 3Å; A260-R262 PolarHBondContact O-NE 3.24Å; R262-H265 HydrophobicContact CG-CB 4.24Å; R262-G278 PolarHBondContact NH1-O 3.46Å; R262-Y280 WeakPolarHBondContact CA-O 3.49Å; R262-L286 HydrophobicContact CB-CD1 3.73Å; R262-D288 IonicContact CZ-OD1 2.91Å; R262-D288 IonicContact CZ-OD2 3.67Å; R262-D288 IonicContact NH1-OD1 3.84Å; R262-D288 PolarHBondContact NH1-OD1 3.43Å; R262-D288 IonicContact NH1-OD2 3.13Å; R262-D288 IonicContact NH2-OD1 3.4Å; R262-D288 PolarHBondContact NH2-OD1 3.19Å; R262-D288 IonicContact NH2-OD2 2.81Å; R262-D288 PolarHBondContact NH2-OD2 3.05Å
263	R	97.8	Very high	97.7	Very high	21 Å²	21	54.8 Å²	54.8	8%	0.079	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-123.1	161.7	168.7	59.9	-174.6	-176.6	-85	11.9	110.6	R208 S226 S229 H265 G279 Y280	R208-R263 HydrophobicContact CB-CB 4.17Å; S226-R263 PolarHBondContact O-NH2 3.38Å; S229-R263 PolarHBondContact OG-NH1 3.49Å; R263-H265 PolarHBondContact O-N 3.13Å; R263-H265 VanDerWaalsContact O-N 3.08Å; R263-G279 WeakPolarHBondContact O-CA 3.26Å; R263-Y280 WeakPolarHBondContact CG-O 3.34Å; R263-Y280 PolarHBondContact N-O 3.5Å; R263-Y280 PolarHBondContact O-N 2.83Å
264	C	97.8	Very high	97.7	Very high	8 Å²	8	52.7 Å²	52.7	5%	0.054	26%	0.255	C	S	.	.	S	Bend	trans	58.5	25.2	176	-42.3	0	0	0	0	113.6	R208 Y311 F312	R208-C264 HydrophobicContact CB-CB 4.47Å; R208-C264 VanDerWaalsContact CG-SG 3.59Å; R208-C264 PolarHBondContact O-N 2.84Å; R208-C264 VanDerWaalsContact O-N 3.07Å; C264-Y311 HydrophobicContact CB-CD2 4.06Å; C264-F312 HydrophobicContact CB-CD1 3.69Å; C264-F312 HydrophobicContact CB-CD2 4.46Å; C264-F312 HydrophobicContact CB-CE1 3.83Å; C264-F312 HydrophobicContact CB-CG 4Å; C264-F312 HydrophobicContact CB-CZ 4.32Å; C264-F312 PolarHBondContact O-N 3.1Å; C264-F312 WeakPolarHBondContact SG-CE1 3.07Å; C264-F312 WeakPolarHBondContact SG-CZ 3.28Å
265	H	98.6	Very high	97.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.215	C	C	.	.			trans	-83	165.1	171.8	63.8	-79.5	0	0	0	109	L221 R262 R263 G278	L221-H265 PolarHBondContact O-CE1 2.94Å; L221-H265 VanDerWaalsContact O-CE1 3.32Å; R262-H265 HydrophobicContact CG-CB 4.24Å; R263-H265 PolarHBondContact O-N 3.13Å; R263-H265 VanDerWaalsContact O-N 3.08Å; H265-G278 VanDerWaalsContact CB-O 3.29Å; H265-G278 WeakPolarHBondContact CB-O 3.3Å
266	S	98.1	Very high	98	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	149.7	169.8	-67.8	0	0	0	0	110.6	I276 C277 H313 C314 A315	S266-I276 VanDerWaalsContact O-CA 3.31Å; S266-I276 WeakPolarHBondContact O-CA 3.15Å; S266-C277 PolarHBondContact N-O 2.94Å; S266-C277 VanDerWaalsContact N-O 3.11Å; S266-C277 PolarHBondContact O-N 3.38Å; S266-H313 PolarHBondContact OG-CD2 3.4Å; S266-H313 PolarHBondContact OG-NE2 3.18Å; S266-H313 PolarHBondContact OG-O 2.81Å; S266-C314 VanDerWaalsContact OG-C 3.28Å; S266-C314 VanDerWaalsContact OG-CA 3.3Å; S266-C314 WeakPolarHBondContact OG-CA 3.4Å; S266-A315 VanDerWaalsContact CB-CB 3.45Å; S266-A315 PolarHBondContact OG-N 2.93Å
267	C	98.4	Very high	98.1	Very high	15 Å²	15	30.8 Å²	30.8	10%	0.101	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.2	177.4	178.9	0	0	0	0	109.6	E210 V274 F275 I276	E210-C267 HydrophobicContact CB-CB 3.2Å; E210-C267 HydrophobicContact CG-CB 3.5Å; C267-V274 WeakPolarHBondContact SG-CG1 3.15Å; C267-F275 CarbonylContact C-O 3.55Å; C267-F275 VanDerWaalsContact CA-O 3.24Å; C267-F275 WeakPolarHBondContact CA-O 3.37Å; C267-I276 HydrophobicContact CB-CG2 4.25Å
268	V	98.5	Very high	98.1	Very high	10 Å²	10	29.7 Å²	29.7	6%	0.061	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.4	171.1	-61.1	0	0	0	0	109.8	F275 A315 V317 M323 L346	V268-F275 HydrophobicContact CG2-CB 3.97Å; V268-F275 HydrophobicContact CG2-CD2 4.46Å; V268-F275 PolarHBondContact N-O 2.91Å; V268-F275 PolarHBondContact O-N 2.95Å; V268-A315 HydrophobicContact CG1-CB 3.97Å; V268-V317 HydrophobicContact CB-CB 3.86Å; V268-V317 HydrophobicContact CB-CG1 3.86Å; V268-V317 HydrophobicContact CG1-CB 4.11Å; V268-V317 HydrophobicContact CG1-CG1 4.36Å; V268-V317 HydrophobicContact CG2-CB 4.1Å; V268-V317 HydrophobicContact CG2-CG1 4.47Å; V268-M323 HydrophobicContact CG1-CG 4.3Å; V268-M323 HydrophobicContact CG1-SD 4.21Å; V268-M323 HydrophobicContact CG2-CB 4.46Å; V268-M323 HydrophobicContact CG2-CG 4.08Å; V268-M323 HydrophobicContact CG2-SD 3.51Å; V268-M323 VanDerWaalsContact CG2-SD 3.51Å; V268-L346 HydrophobicContact CG2-CD1 3.76Å
269	Q	98.3	Very high	98.1	Very high	51 Å²	51	25.6 Å²	25.6	24%	0.238	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.8	-178	-178.2	178.3	-11	0	0	110.8	H213 R271 V274	H213-Q269 PolarHBondContact O-NE2 3.05Å; H213-Q269 PolarHBondContact O-OE1 2.99Å; Q269-R271 WeakPolarHBondContact CG-O 3.44Å; Q269-R271 PolarHBondContact NE2-O 3.05Å; Q269-V274 HydrophobicContact CB-CG2 4.38Å; Q269-V274 HydrophobicContact CG-CG2 4Å
270	I	97	Very high	98	Very high	28 Å²	28	27.4 Å²	27.4	14%	0.144	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	106.4	170.3	-54.4	170.1	0	0	0	107.4	N272 D273 F275 V317 L346 T347	I270-N272 PolarHBondContact O-N 3.26Å; I270-N272 VanDerWaalsContact O-N 3.12Å; I270-D273 PolarHBondContact N-O 3.5Å; I270-D273 PolarHBondContact O-N 2.79Å; I270-F275 HydrophobicContact CB-CE2 4.29Å; I270-F275 HydrophobicContact CD1-CE2 3.96Å; I270-F275 HydrophobicContact CG1-CE2 4.22Å; I270-V317 HydrophobicContact CD1-CG2 3.84Å; I270-V317 HydrophobicContact CG1-CG1 4.47Å; I270-V317 HydrophobicContact CG1-CG2 3.86Å; I270-L346 HydrophobicContact CD1-CB 3.79Å; I270-L346 HydrophobicContact CD1-CD1 4.09Å; I270-T347 HydrophobicContact CD1-CG2 3.97Å; I270-T347 HydrophobicContact CG2-CG2 4.23Å
271	R	95.1	Very high	98	Very high	223 Å²	223	27.9 Å²	27.9	84%	0.842	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	-116.9	-175.7	-55.2	175	-177.5	170.5	0.3	110.1	Q269	Q269-R271 WeakPolarHBondContact CG-O 3.44Å; Q269-R271 PolarHBondContact NE2-O 3.05Å
272	N	97	Very high	97.8	Very high	52 Å²	52	27 Å²	27	28%	0.278	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.7	-179.6	-61.1	-36.2	0	0	0	113.8	I270 L294 Q295	I270-N272 PolarHBondContact O-N 3.26Å; I270-N272 VanDerWaalsContact O-N 3.12Å; N272-L294 PolarHBondContact O-N 2.91Å; N272-Q295 HydrophobicContact CB-CG 4.24Å; N272-Q295 PolarHBondContact ND2-NE2 3.18Å
273	D	98.3	Very high	97.6	Very high	35 Å²	35	35.2 Å²	35.2	19%	0.187	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.1	-178.9	-76.1	-11.2	0	0	0	109.4	I270 F275 K291 N293	I270-D273 PolarHBondContact N-O 3.5Å; I270-D273 PolarHBondContact O-N 2.79Å; D273-F275 HydrophobicContact CB-CE2 3.69Å; D273-F275 HydrophobicContact CB-CZ 3.93Å; D273-K291 HydrophobicContact CB-CD 3.96Å; D273-K291 HydrophobicContact CB-CG 4.1Å; D273-K291 IonicContact OD1-NZ 2.7Å; D273-K291 WeakPolarHBondContact OD2-CD 3.27Å; D273-K291 IonicContact OD2-NZ 3.62Å; D273-K291 PolarHBondContact OD2-NZ 3.47Å; D273-N293 PolarHBondContact OD1-ND2 3.09Å
274	V	98.8	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.6	177.7	-177.6	0	0	0	0	108.7	A212 L221 C267 Q269 K291 L292 L294	A212-V274 HydrophobicContact CB-CB 4.34Å; A212-V274 HydrophobicContact CB-CG1 3.96Å; A212-V274 HydrophobicContact CB-CG2 3.41Å; A212-V274 VanDerWaalsContact CB-CG2 3.41Å; L221-V274 HydrophobicContact CD1-CB 4.43Å; L221-V274 HydrophobicContact CD1-CG1 3.46Å; L221-V274 VanDerWaalsContact CD1-CG1 3.46Å; C267-V274 WeakPolarHBondContact SG-CG1 3.15Å; Q269-V274 HydrophobicContact CB-CG2 4.38Å; Q269-V274 HydrophobicContact CG-CG2 4Å; V274-K291 CarbonylContact O-C 3.58Å; V274-K291 VanDerWaalsContact O-CA 3.27Å; V274-K291 WeakPolarHBondContact O-CA 3.45Å; V274-L292 HydrophobicContact CB-CB 4.47Å; V274-L292 PolarHBondContact N-O 3.26Å; V274-L292 PolarHBondContact O-N 2.92Å; V274-L294 HydrophobicContact CG2-CD1 3.67Å; V274-L294 HydrophobicContact CG2-CD2 3.93Å; V274-L294 HydrophobicContact CG2-CG 3.7Å
275	F	98.8	Very high	97.5	Very high	4 Å²	4	40 Å²	40	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128	-176.8	-58.3	-100.2	0	0	0	109.5	C267 V268 I270 D273 L289 W290 K291 L302 L346	C267-F275 CarbonylContact C-O 3.55Å; C267-F275 VanDerWaalsContact CA-O 3.24Å; C267-F275 WeakPolarHBondContact CA-O 3.37Å; V268-F275 HydrophobicContact CG2-CB 3.97Å; V268-F275 HydrophobicContact CG2-CD2 4.46Å; V268-F275 PolarHBondContact N-O 2.91Å; V268-F275 PolarHBondContact O-N 2.95Å; I270-F275 HydrophobicContact CB-CE2 4.29Å; I270-F275 HydrophobicContact CD1-CE2 3.96Å; I270-F275 HydrophobicContact CG1-CE2 4.22Å; D273-F275 HydrophobicContact CB-CE2 3.69Å; D273-F275 HydrophobicContact CB-CZ 3.93Å; F275-L289 HydrophobicContact CB-CD1 4.37Å; F275-W290 CarbonylContact C-O 3.48Å; F275-W290 WeakPolarHBondContact CA-O 3.27Å; F275-K291 HydrophobicContact CD1-CB 3.99Å; F275-K291 HydrophobicContact CD1-CD 4.3Å; F275-K291 HydrophobicContact CD1-CG 3.94Å; F275-K291 HydrophobicContact CE1-CB 4.01Å; F275-K291 HydrophobicContact CE1-CD 3.5Å; F275-K291 VanDerWaalsContact CE1-CD 3.5Å; F275-K291 HydrophobicContact CE1-CG 3.64Å; F275-K291 HydrophobicContact CE2-CG 4.48Å; F275-K291 HydrophobicContact CZ-CD 3.63Å; F275-K291 HydrophobicContact CZ-CG 3.93Å; F275-L302 HydrophobicContact CD1-CD1 3.88Å; F275-L302 HydrophobicContact CE1-CD1 3.85Å; F275-L346 HydrophobicContact CB-CD1 4.06Å; F275-L346 HydrophobicContact CD1-CB 4.44Å; F275-L346 HydrophobicContact CD1-CD1 3.97Å; F275-L346 HydrophobicContact CD1-CD2 3.8Å; F275-L346 HydrophobicContact CD1-CG 4.3Å; F275-L346 HydrophobicContact CD2-CD1 3.76Å; F275-L346 HydrophobicContact CE1-CB 3.99Å; F275-L346 HydrophobicContact CE1-CD1 4.3Å; F275-L346 HydrophobicContact CE1-CD2 4.02Å; F275-L346 HydrophobicContact CE1-CG 4.34Å; F275-L346 HydrophobicContact CE2-CB 4.32Å; F275-L346 HydrophobicContact CE2-CD1 4.14Å; F275-L346 HydrophobicContact CG-CD1 3.67Å; F275-L346 HydrophobicContact CG-CD2 4.31Å; F275-L346 HydrophobicContact CG-CG 4.48Å; F275-L346 HydrophobicContact CZ-CB 3.93Å; F275-L346 HydrophobicContact CZ-CD1 4.39Å
276	I	98.7	Very high	97.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.7	173.3	62.6	175.5	0	0	0	109.9	L221 L232 P259 S266 C267 W290 W299	L221-I276 HydrophobicContact CD1-CG2 4.4Å; L232-I276 HydrophobicContact CD1-CD1 3.64Å; P259-I276 HydrophobicContact CB-CD1 4.04Å; P259-I276 HydrophobicContact CG-CD1 4.11Å; S266-I276 VanDerWaalsContact O-CA 3.31Å; S266-I276 WeakPolarHBondContact O-CA 3.15Å; C267-I276 HydrophobicContact CB-CG2 4.25Å; I276-W290 HydrophobicContact CD1-CB 4.27Å; I276-W290 HydrophobicContact CG1-CB 3.77Å; I276-W290 PolarHBondContact N-O 3.24Å; I276-W290 PolarHBondContact O-N 2.89Å; I276-W299 HydrophobicContact CD1-CH2 3.59Å; I276-W299 HydrophobicContact CD1-CZ3 3.67Å; I276-W299 HydrophobicContact CG1-CH2 4.21Å; I276-W299 HydrophobicContact CG1-CZ3 3.93Å
277	C	98.1	Very high	97.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	138.9	-180	72.1	0	0	0	0	113.6	S266 D288 L289 M306 H313 I325	S266-C277 PolarHBondContact N-O 2.94Å; S266-C277 VanDerWaalsContact N-O 3.11Å; S266-C277 PolarHBondContact O-N 3.38Å; C277-D288 WeakPolarHBondContact CA-O 3.37Å; C277-L289 HydrophobicContact CB-CD1 3.7Å; C277-M306 HydrophobicContact CB-SD 4.27Å; C277-H313 PolarHBondContact O-CE1 3.45Å; C277-H313 PolarHBondContact O-NE2 3.02Å; C277-I325 WeakPolarHBondContact SG-CD1 3.37Å
278	G	98.4	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.			trans	61.8	-146.4	179.7	0	0	0	0	0	113.9	R262 H265 L286 D288	R262-G278 PolarHBondContact NH1-O 3.46Å; H265-G278 VanDerWaalsContact CB-O 3.29Å; H265-G278 WeakPolarHBondContact CB-O 3.3Å; G278-L286 WeakPolarHBondContact CA-O 3.24Å; G278-D288 PolarHBondContact N-O 3.27Å
279	G	98.4	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.			trans	100.1	-168.5	-177.4	0	0	0	0	0	112.7	R263 I285 L286 A310	R263-G279 WeakPolarHBondContact O-CA 3.26Å; G279-I285 CarbonylContact O-C 3.58Å; G279-I285 WeakPolarHBondContact O-CA 3.31Å; G279-L286 PolarHBondContact O-N 2.93Å; G279-A310 PolarHBondContact N-O 2.74Å
280	Y	97.9	Very high	97.5	Very high	41 Å²	41	38.8 Å²	38.8	16%	0.161	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-132.6	132.3	-178.4	-178.6	-122.5	0	0	0	109.9	R262 R263 G282 L284 I285 I332	R262-Y280 WeakPolarHBondContact CA-O 3.49Å; R263-Y280 WeakPolarHBondContact CG-O 3.34Å; R263-Y280 PolarHBondContact N-O 3.5Å; R263-Y280 PolarHBondContact O-N 2.83Å; Y280-G282 VanDerWaalsContact CE1-CA 3.43Å; Y280-G282 VanDerWaalsContact CZ-CA 3.49Å; Y280-G282 PolarHBondContact OH-O 2.73Å; Y280-L284 WeakPolarHBondContact CD2-O 3.38Å; Y280-I285 HydrophobicContact CD2-CG1 4.39Å; Y280-I332 HydrophobicContact CD2-CD1 3.93Å; Y280-I332 HydrophobicContact CE2-CD1 3.35Å
281	N	96.8	Very high	97.6	Very high	43 Å²	43	40 Å²	40	23%	0.23	20%	0.195	C	C	.	.			trans	-93	-13.3	179.2	69	-9.1	0	0	0	113.5	S229 P261 E283 L284 L286	S229-N281 VanDerWaalsContact OG-C 3.27Å; S229-N281 PolarHBondContact OG-O 2.92Å; P261-N281 VanDerWaalsContact O-CA 3.29Å; P261-N281 WeakPolarHBondContact O-CA 3.28Å; P261-N281 WeakPolarHBondContact O-CB 3.19Å; N281-E283 PolarHBondContact OD1-N 2.99Å; N281-L284 PolarHBondContact N-O 2.83Å; N281-L284 PolarHBondContact OD1-N 3.18Å; N281-L284 PolarHBondContact OD1-O 2.68Å; N281-L286 HydrophobicContact CB-CD1 4.38Å
282	G	94.6	Very high	97.8	Very high	32 Å²	32	29.3 Å²	29.3	33%	0.33	16%	0.155	S	C	.	.	S	Bend	trans	117.1	-12.6	-170.2	0	0	0	0	0	113.3	Y280	Y280-G282 VanDerWaalsContact CE1-CA 3.43Å; Y280-G282 VanDerWaalsContact CZ-CA 3.49Å; Y280-G282 PolarHBondContact OH-O 2.73Å
283	E	94.2	Very high	97.9	Very high	171 Å²	171	28.4 Å²	28.4	80%	0.799	15%	0.15	S	C	*	.	S	Bend	trans	-131.4	-49.3	-179.3	-62.4	179	172.2	0	0	111.1	N281	N281-E283 PolarHBondContact OD1-N 2.99Å
284	L	96.1	Very high	97.9	Very high	109 Å²	109	27 Å²	27	57%	0.571	14%	0.142	S	C	*	.			trans	-122.7	141	-172.8	-177.4	67.2	0	0	0	111.9	Y280 N281 L286	Y280-L284 WeakPolarHBondContact CD2-O 3.38Å; N281-L284 PolarHBondContact N-O 2.83Å; N281-L284 PolarHBondContact OD1-N 3.18Å; N281-L284 PolarHBondContact OD1-O 2.68Å; L284-L286 HydrophobicContact CD2-CD2 4.43Å; L284-L286 PolarHBondContact O-N 3.37Å
285	I	98.3	Very high	97.8	Very high	21 Å²	21	33.7 Å²	33.7	11%	0.108	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-74.7	115.8	163.1	-56.5	176.3	0	0	0	108.2	G279 Y280 P309 A310 Y311 I332	G279-I285 CarbonylContact O-C 3.58Å; G279-I285 WeakPolarHBondContact O-CA 3.31Å; Y280-I285 HydrophobicContact CD2-CG1 4.39Å; I285-P309 HydrophobicContact CB-CB 4.45Å; I285-P309 VanDerWaalsContact CG2-C 3.41Å; I285-P309 HydrophobicContact CG2-CB 3.87Å; I285-A310 VanDerWaalsContact CG2-C 3.43Å; I285-A310 VanDerWaalsContact CG2-CA 3.47Å; I285-A310 VanDerWaalsContact CG2-N 3.3Å; I285-Y311 HydrophobicContact CD1-CD1 3.82Å; I285-Y311 HydrophobicContact CD1-CE1 3.88Å; I285-Y311 HydrophobicContact CG1-CD1 3.81Å; I285-Y311 HydrophobicContact CG1-CE1 4.13Å; I285-Y311 HydrophobicContact CG2-CD1 4.33Å; I285-I332 HydrophobicContact CD1-CD1 4.44Å; I285-I332 HydrophobicContact CD1-CG1 3.94Å; I285-I332 HydrophobicContact CG1-CD1 4.11Å; I285-I332 HydrophobicContact CG1-CG1 4.16Å
286	L	98.5	Very high	97.8	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.063	19%	0.191	C	C	.	.			trans	-78.4	150.6	-175.1	-54.7	175.3	0	0	0	110.8	A260 R262 G278 G279 N281 L284	A260-L286 HydrophobicContact CB-CD1 4.35Å; R262-L286 HydrophobicContact CB-CD1 3.73Å; G278-L286 WeakPolarHBondContact CA-O 3.24Å; G279-L286 PolarHBondContact O-N 2.93Å; N281-L286 HydrophobicContact CB-CD1 4.38Å; L284-L286 HydrophobicContact CD2-CD2 4.43Å; L284-L286 PolarHBondContact O-N 3.37Å
287	A	98.1	Very high	97.8	Very high	18 Å²	18	38.4 Å²	38.4	15%	0.149	20%	0.199	C	C	.	.			trans	-120.2	-11.8	178.4	0	0	0	0	0	112.8	E305 M306 P309	A287-E305 HydrophobicContact CB-CB 4.37Å; A287-E305 CarbonylContact O-C 3.54Å; A287-E305 WeakPolarHBondContact O-CA 3.49Å; A287-M306 HydrophobicContact CB-CB 4.37Å; A287-M306 PolarHBondContact O-N 3.2Å; A287-P309 HydrophobicContact CB-CB 3.91Å; A287-P309 HydrophobicContact CB-CG 3.65Å
288	D	98.3	Very high	97.8	Very high	19 Å²	19	41 Å²	41	10%	0.102	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	151.8	-169.7	56.7	-9	0	0	0	112.6	R262 C277 G278 W290	R262-D288 IonicContact CZ-OD1 2.91Å; R262-D288 IonicContact CZ-OD2 3.67Å; R262-D288 IonicContact NH1-OD1 3.84Å; R262-D288 PolarHBondContact NH1-OD1 3.43Å; R262-D288 IonicContact NH1-OD2 3.13Å; R262-D288 IonicContact NH2-OD1 3.4Å; R262-D288 PolarHBondContact NH2-OD1 3.19Å; R262-D288 IonicContact NH2-OD2 2.81Å; R262-D288 PolarHBondContact NH2-OD2 3.05Å; C277-D288 WeakPolarHBondContact CA-O 3.37Å; G278-D288 PolarHBondContact N-O 3.27Å; D288-W290 VanDerWaalsContact CG-NE1 3.32Å; D288-W290 PolarHBondContact OD2-NE1 2.86Å
289	L	98.4	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.5	173.5	178.9	66.5	0	0	0	109.4	F275 C277 L302 A304 M323 I344 L346	F275-L289 HydrophobicContact CB-CD1 4.37Å; C277-L289 HydrophobicContact CB-CD1 3.7Å; L289-L302 HydrophobicContact CB-CB 4.35Å; L289-L302 HydrophobicContact CD2-CB 4.04Å; L289-L302 HydrophobicContact CD2-CD1 3.59Å; L289-L302 HydrophobicContact CD2-CG 4.41Å; L289-L302 HydrophobicContact CG-CB 4.11Å; L289-L302 HydrophobicContact CG-CD1 3.84Å; L289-L302 HydrophobicContact CG-CG 4.4Å; L289-L302 PolarHBondContact O-N 3.28Å; L289-A304 HydrophobicContact CB-CB 4.48Å; L289-A304 HydrophobicContact CD2-CB 3.92Å; L289-M323 HydrophobicContact CD1-CE 4.02Å; L289-I344 HydrophobicContact CD2-CD1 3.95Å; L289-L346 HydrophobicContact CD2-CD2 3.86Å
290	W	98.6	Very high	97.8	Very high	6 Å²	6	42.8 Å²	42.8	2%	0.023	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.5	178.5	-69.4	81.4	0	0	0	111.3	H253 I256 P259 F275 I276 D288 W299 S300 K301	H253-W290 HydrophobicContact CB-CH2 4.47Å; H253-W290 HydrophobicContact CB-CZ3 3.84Å; I256-W290 HydrophobicContact CB-CH2 4.19Å; I256-W290 HydrophobicContact CG2-CH2 3.7Å; I256-W290 HydrophobicContact CG2-CZ2 4.03Å; P259-W290 HydrophobicContact CB-CB 4.41Å; P259-W290 HydrophobicContact CB-CD2 3.73Å; P259-W290 HydrophobicContact CB-CE3 4.28Å; P259-W290 HydrophobicContact CB-CG 3.77Å; P259-W290 HydrophobicContact CB-CZ2 4.37Å; P259-W290 HydrophobicContact CG-CB 4.05Å; P259-W290 HydrophobicContact CG-CD2 3.55Å; P259-W290 HydrophobicContact CG-CE3 3.66Å; P259-W290 HydrophobicContact CG-CG 3.74Å; P259-W290 HydrophobicContact CG-CZ3 4.23Å; F275-W290 CarbonylContact C-O 3.48Å; F275-W290 WeakPolarHBondContact CA-O 3.27Å; I276-W290 HydrophobicContact CD1-CB 4.27Å; I276-W290 HydrophobicContact CG1-CB 3.77Å; I276-W290 PolarHBondContact N-O 3.24Å; I276-W290 PolarHBondContact O-N 2.89Å; D288-W290 VanDerWaalsContact CG-NE1 3.32Å; D288-W290 PolarHBondContact OD2-NE1 2.86Å; W290-W299 HydrophobicContact CB-CE3 4.03Å; W290-W299 HydrophobicContact CB-CZ3 4.01Å; W290-W299 HydrophobicContact CE3-CB 4.33Å; W290-W299 HydrophobicContact CE3-CE3 4.48Å; W290-W299 HydrophobicContact CZ3-CB 4.43Å; W290-S300 WeakPolarHBondContact CA-O 3.42Å; W290-K301 HydrophobicContact CD2-CB 3.9Å; W290-K301 HydrophobicContact CD2-CG 4.04Å; W290-K301 HydrophobicContact CE3-CB 3.79Å; W290-K301 HydrophobicContact CE3-CG 4.44Å; W290-K301 HydrophobicContact CH2-CB 3.77Å; W290-K301 HydrophobicContact CH2-CG 4.3Å; W290-K301 HydrophobicContact CZ2-CB 3.84Å; W290-K301 HydrophobicContact CZ2-CD 3.92Å; W290-K301 HydrophobicContact CZ2-CG 3.84Å; W290-K301 HydrophobicContact CZ3-CB 3.74Å
291	K	98.4	Very high	97.8	Very high	53 Å²	53	43.7 Å²	43.7	23%	0.23	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.6	174.7	-170.4	-180	84.4	152.5	0	110.2	D273 V274 F275 W299 S300	D273-K291 HydrophobicContact CB-CD 3.96Å; D273-K291 HydrophobicContact CB-CG 4.1Å; D273-K291 IonicContact OD1-NZ 2.7Å; D273-K291 WeakPolarHBondContact OD2-CD 3.27Å; D273-K291 IonicContact OD2-NZ 3.62Å; D273-K291 PolarHBondContact OD2-NZ 3.47Å; V274-K291 CarbonylContact O-C 3.58Å; V274-K291 VanDerWaalsContact O-CA 3.27Å; V274-K291 WeakPolarHBondContact O-CA 3.45Å; F275-K291 HydrophobicContact CD1-CB 3.99Å; F275-K291 HydrophobicContact CD1-CD 4.3Å; F275-K291 HydrophobicContact CD1-CG 3.94Å; F275-K291 HydrophobicContact CE1-CB 4.01Å; F275-K291 HydrophobicContact CE1-CD 3.5Å; F275-K291 VanDerWaalsContact CE1-CD 3.5Å; F275-K291 HydrophobicContact CE1-CG 3.64Å; F275-K291 HydrophobicContact CE2-CG 4.48Å; F275-K291 HydrophobicContact CZ-CD 3.63Å; F275-K291 HydrophobicContact CZ-CG 3.93Å; K291-W299 CarbonylContact O-C 3.56Å; K291-W299 WeakPolarHBondContact O-CA 3.22Å; K291-S300 PolarHBondContact N-O 3.03Å; K291-S300 PolarHBondContact O-N 3.1Å
292	L	98.8	Very high	97.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.9	167.1	177.7	65.1	0	0	0	108.9	L221 I235 T250 V274 L294 F297 W299	L221-L292 HydrophobicContact CD2-CD2 4Å; I235-L292 HydrophobicContact CD1-CD2 3.83Å; T250-L292 HydrophobicContact CG2-CD1 4.38Å; V274-L292 HydrophobicContact CB-CB 4.47Å; V274-L292 PolarHBondContact N-O 3.26Å; V274-L292 PolarHBondContact O-N 2.92Å; L292-L294 HydrophobicContact CD2-CD2 4.08Å; L292-L294 HydrophobicContact CG-CD2 4.47Å; L292-F297 VanDerWaalsContact CD1-C 3.5Å; L292-W299 HydrophobicContact CB-CD2 4.03Å; L292-W299 HydrophobicContact CB-CE3 3.72Å; L292-W299 HydrophobicContact CB-CH2 3.66Å; L292-W299 HydrophobicContact CB-CZ2 3.98Å; L292-W299 HydrophobicContact CB-CZ3 3.53Å; L292-W299 HydrophobicContact CD1-CD2 3.97Å; L292-W299 HydrophobicContact CD1-CG 4.19Å; L292-W299 HydrophobicContact CD1-CZ2 4.25Å; L292-W299 HydrophobicContact CD2-CH2 4.17Å; L292-W299 HydrophobicContact CD2-CZ2 3.88Å; L292-W299 HydrophobicContact CG-CH2 4.4Å; L292-W299 HydrophobicContact CG-CZ2 4.26Å
293	N	98.6	Very high	97.8	Very high	33 Å²	33	46.6 Å²	46.6	18%	0.176	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117	170	178.9	-88.6	0	0	0	110.1	D273 Q295 T296 F297 Q298	D273-N293 PolarHBondContact OD1-ND2 3.09Å; N293-Q295 PolarHBondContact O-N 3.07Å; N293-Q295 PolarHBondContact OD1-N 2.85Å; N293-T296 WeakPolarHBondContact CB-OG1 3.16Å; N293-T296 PolarHBondContact O-N 3.37Å; N293-T296 PolarHBondContact OD1-N 3.46Å; N293-T296 PolarHBondContact OD1-OG1 2.91Å; N293-F297 WeakPolarHBondContact O-CA 3.34Å; N293-F297 PolarHBondContact O-N 2.81Å; N293-Q298 PolarHBondContact N-O 3.07Å; N293-Q298 VanDerWaalsContact N-O 3.11Å
294	L	98.4	Very high	97.8	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.3	-174.7	-65.9	179.5	0	0	0	114.7	A212 Y219 N272 V274 L292 F297	A212-L294 HydrophobicContact CB-CD1 4.32Å; Y219-L294 HydrophobicContact CD1-CD2 4.34Å; Y219-L294 HydrophobicContact CD2-CD1 3.94Å; Y219-L294 HydrophobicContact CD2-CD2 3.77Å; Y219-L294 HydrophobicContact CD2-CG 4.44Å; Y219-L294 HydrophobicContact CE2-CD1 3.95Å; Y219-L294 HydrophobicContact CE2-CD2 3.99Å; Y219-L294 HydrophobicContact CE2-CG 4.38Å; Y219-L294 HydrophobicContact CG-CD2 3.96Å; N272-L294 PolarHBondContact O-N 2.91Å; V274-L294 HydrophobicContact CG2-CD1 3.67Å; V274-L294 HydrophobicContact CG2-CD2 3.93Å; V274-L294 HydrophobicContact CG2-CG 3.7Å; L292-L294 HydrophobicContact CD2-CD2 4.08Å; L292-L294 HydrophobicContact CG-CD2 4.47Å; L294-F297 VanDerWaalsContact O-CE1 3.26Å; L294-F297 WeakPolarHBondContact O-CE1 3.43Å; L294-F297 VanDerWaalsContact O-CZ 3.31Å; L294-F297 WeakPolarHBondContact O-CZ 3.49Å
295	Q	97.3	Very high	97.8	Very high	141 Å²	141	38.6 Å²	38.6	66%	0.659	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-36	176	-68.1	-178	-29.8	0	0	112.3	N272 N293	N272-Q295 HydrophobicContact CB-CG 4.24Å; N272-Q295 PolarHBondContact ND2-NE2 3.18Å; N293-Q295 PolarHBondContact O-N 3.07Å; N293-Q295 PolarHBondContact OD1-N 2.85Å
296	T	98.2	Very high	97.7	Very high	65 Å²	65	38 Å²	38	40%	0.399	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-13.2	-175.3	57.7	0	0	0	0	113.2	K251 N293 Q298	K251-T296 WeakPolarHBondContact CE-O 3.16Å; N293-T296 WeakPolarHBondContact CB-OG1 3.16Å; N293-T296 PolarHBondContact O-N 3.37Å; N293-T296 PolarHBondContact OD1-N 3.46Å; N293-T296 PolarHBondContact OD1-OG1 2.91Å; T296-Q298 PolarHBondContact O-N 3.47Å; T296-Q298 WeakPolarHBondContact OG1-CB 3.32Å; T296-Q298 PolarHBondContact OG1-N 2.88Å
297	F	98.6	Very high	97.6	Very high	38 Å²	38	41.4 Å²	41.4	17%	0.167	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	29.8	-168.9	-55.8	-68	0	0	0	113.6	Y219 I248 T250 K251 L292 N293 L294	Y219-F297 HydrophobicContact CD1-CE1 4.33Å; Y219-F297 AromaticContact CE1-CE1 3.57Å; Y219-F297 HydrophobicContact CE1-CE1 3.57Å; Y219-F297 HydrophobicContact CE1-CZ 4Å; I248-F297 HydrophobicContact CG2-CB 4.37Å; I248-F297 HydrophobicContact CG2-CD1 3.67Å; I248-F297 HydrophobicContact CG2-CD2 3.67Å; I248-F297 HydrophobicContact CG2-CE1 3.78Å; I248-F297 HydrophobicContact CG2-CE2 3.77Å; I248-F297 HydrophobicContact CG2-CG 3.62Å; I248-F297 HydrophobicContact CG2-CZ 3.83Å; T250-F297 CarbonylContact C-O 3.51Å; T250-F297 WeakPolarHBondContact CA-O 3.47Å; T250-F297 WeakPolarHBondContact CB-O 3.38Å; K251-F297 PolarHBondContact N-O 2.78Å; L292-F297 VanDerWaalsContact CD1-C 3.5Å; N293-F297 WeakPolarHBondContact O-CA 3.34Å; N293-F297 PolarHBondContact O-N 2.81Å; L294-F297 VanDerWaalsContact O-CE1 3.26Å; L294-F297 WeakPolarHBondContact O-CE1 3.43Å; L294-F297 VanDerWaalsContact O-CZ 3.31Å; L294-F297 WeakPolarHBondContact O-CZ 3.49Å
298	Q	98.6	Very high	97.5	Very high	54 Å²	54	42.6 Å²	42.6	25%	0.252	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.9	-178.9	-178.3	60.3	61.7	0	0	111.5	K251 P252 N293 T296	K251-Q298 VanDerWaalsContact CB-OE1 3.28Å; K251-Q298 PolarHBondContact O-NE2 3.11Å; P252-Q298 VanDerWaalsContact C-NE2 3.26Å; P252-Q298 PolarHBondContact O-NE2 2.87Å; N293-Q298 PolarHBondContact N-O 3.07Å; N293-Q298 VanDerWaalsContact N-O 3.11Å; T296-Q298 PolarHBondContact O-N 3.47Å; T296-Q298 WeakPolarHBondContact OG1-CB 3.32Å; T296-Q298 PolarHBondContact OG1-N 2.88Å
299	W	98.8	Very high	97.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	143.3	168.4	-75.4	108.1	0	0	0	111.8	L221 L232 T250 K251 H253 Y258 P259 I276 W290 K291 L292	L221-W299 HydrophobicContact CD2-CZ2 4.45Å; L232-W299 HydrophobicContact CB-CZ2 4.11Å; L232-W299 HydrophobicContact CD1-CZ2 4.44Å; L232-W299 HydrophobicContact CD2-CZ2 4.2Å; L232-W299 HydrophobicContact CG-CZ2 4.5Å; L232-W299 PolarHBondContact O-NE1 2.06Å; T250-W299 PolarHBondContact OG1-NE1 2.99Å; K251-W299 WeakPolarHBondContact O-CB 3.49Å; K251-W299 PolarHBondContact O-N 3.18Å; H253-W299 WeakPolarHBondContact CA-O 3.42Å; Y258-W299 AromaticContact CD1-CD1 3.79Å; P259-W299 HydrophobicContact CG-CD2 3.58Å; P259-W299 HydrophobicContact CG-CE3 3.51Å; P259-W299 HydrophobicContact CG-CG 4.16Å; P259-W299 HydrophobicContact CG-CH2 4.17Å; P259-W299 HydrophobicContact CG-CZ2 4.22Å; P259-W299 HydrophobicContact CG-CZ3 3.81Å; I276-W299 HydrophobicContact CD1-CH2 3.59Å; I276-W299 HydrophobicContact CD1-CZ3 3.67Å; I276-W299 HydrophobicContact CG1-CH2 4.21Å; I276-W299 HydrophobicContact CG1-CZ3 3.93Å; W290-W299 HydrophobicContact CB-CE3 4.03Å; W290-W299 HydrophobicContact CB-CZ3 4.01Å; W290-W299 HydrophobicContact CE3-CB 4.33Å; W290-W299 HydrophobicContact CE3-CE3 4.48Å; W290-W299 HydrophobicContact CZ3-CB 4.43Å; K291-W299 CarbonylContact O-C 3.56Å; K291-W299 WeakPolarHBondContact O-CA 3.22Å; L292-W299 HydrophobicContact CB-CD2 4.03Å; L292-W299 HydrophobicContact CB-CE3 3.72Å; L292-W299 HydrophobicContact CB-CH2 3.66Å; L292-W299 HydrophobicContact CB-CZ2 3.98Å; L292-W299 HydrophobicContact CB-CZ3 3.53Å; L292-W299 HydrophobicContact CD1-CD2 3.97Å; L292-W299 HydrophobicContact CD1-CG 4.19Å; L292-W299 HydrophobicContact CD1-CZ2 4.25Å; L292-W299 HydrophobicContact CD2-CH2 4.17Å; L292-W299 HydrophobicContact CD2-CZ2 3.88Å; L292-W299 HydrophobicContact CG-CH2 4.4Å; L292-W299 HydrophobicContact CG-CZ2 4.26Å
300	S	98.2	Very high	97.4	Very high	38 Å²	38	44.1 Å²	44.1	27%	0.266	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	124.1	171.6	-61.6	0	0	0	0	110.1	W290 K291	W290-S300 WeakPolarHBondContact CA-O 3.42Å; K291-S300 PolarHBondContact N-O 3.03Å; K291-S300 PolarHBondContact O-N 3.1Å
301	K	97.8	Very high	97.4	Very high	61 Å²	61	45.3 Å²	45.3	27%	0.265	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.1	170.2	-165.6	-176.6	175.4	-171	0	108.1	I256 W290 E305	I256-K301 HydrophobicContact CD1-CB 3.81Å; I256-K301 HydrophobicContact CD1-CD 3.81Å; I256-K301 HydrophobicContact CD1-CG 4.36Å; I256-K301 HydrophobicContact CG2-CD 4.33Å; W290-K301 HydrophobicContact CD2-CB 3.9Å; W290-K301 HydrophobicContact CD2-CG 4.04Å; W290-K301 HydrophobicContact CE3-CB 3.79Å; W290-K301 HydrophobicContact CE3-CG 4.44Å; W290-K301 HydrophobicContact CH2-CB 3.77Å; W290-K301 HydrophobicContact CH2-CG 4.3Å; W290-K301 HydrophobicContact CZ2-CB 3.84Å; W290-K301 HydrophobicContact CZ2-CD 3.92Å; W290-K301 HydrophobicContact CZ2-CG 3.84Å; W290-K301 HydrophobicContact CZ3-CB 3.74Å; K301-E305 IonicContact NZ-OE1 3.52Å; K301-E305 PolarHBondContact NZ-OE1 3.34Å
302	L	96.5	Very high	97.4	Very high	25 Å²	25	44.5 Å²	44.5	13%	0.131	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	151.7	172.1	-64.5	-178.1	0	0	0	109.7	F275 L289 A304	F275-L302 HydrophobicContact CD1-CD1 3.88Å; F275-L302 HydrophobicContact CE1-CD1 3.85Å; L289-L302 HydrophobicContact CB-CB 4.35Å; L289-L302 HydrophobicContact CD2-CB 4.04Å; L289-L302 HydrophobicContact CD2-CD1 3.59Å; L289-L302 HydrophobicContact CD2-CG 4.41Å; L289-L302 HydrophobicContact CG-CB 4.11Å; L289-L302 HydrophobicContact CG-CD1 3.84Å; L289-L302 HydrophobicContact CG-CG 4.4Å; L289-L302 PolarHBondContact O-N 3.28Å; L302-A304 PolarHBondContact O-N 3.14Å
303	P	94.3	Very high	97.4	Very high	110 Å²	110	44.9 Å²	44.9	71%	0.714	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	-13.3	-178.4	28.4	-35.2	0	0	0	113.3	N14	N14-P303 HydrophobicContact CB-CG 3.89Å
304	A	95.3	Very high	97.3	Very high	6 Å²	6	43.4 Å²	43.4	5%	0.05	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	140.1	178.7	0	0	0	0	0	111.7	N14 F16 L289 L302 I344	N14-A304 HydrophobicContact CB-CB 4.23Å; N14-A304 WeakPolarHBondContact O-CB 3.2Å; F16-A304 HydrophobicContact CD2-CB 4.2Å; F16-A304 HydrophobicContact CE2-CB 3.97Å; L289-A304 HydrophobicContact CB-CB 4.48Å; L289-A304 HydrophobicContact CD2-CB 3.92Å; L302-A304 PolarHBondContact O-N 3.14Å; A304-I344 HydrophobicContact CB-CD1 3.52Å
305	E	96	Very high	97.3	Very high	107 Å²	107	43.6 Å²	43.6	50%	0.5	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.8	168.5	-62.6	-169.7	162.7	0	0	109.6	F16 A287 K301 P307	F16-E305 WeakPolarHBondContact CD2-O 3.33Å; A287-E305 HydrophobicContact CB-CB 4.37Å; A287-E305 CarbonylContact O-C 3.54Å; A287-E305 WeakPolarHBondContact O-CA 3.49Å; K301-E305 IonicContact NZ-OE1 3.52Å; K301-E305 PolarHBondContact NZ-OE1 3.34Å; E305-P307 WeakPolarHBondContact O-CD 3.41Å
306	M	96.5	Very high	97.4	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.044	21%	0.205	C	C	.	.			trans	-59.2	124.5	178.3	-72.2	-178	58.2	0	0	109.5	F16 C277 A287 E308 A310 I325	F16-M306 HydrophobicContact CE1-CG 4.45Å; F16-M306 HydrophobicContact CE2-CG 4.02Å; F16-M306 HydrophobicContact CZ-CG 3.83Å; C277-M306 HydrophobicContact CB-SD 4.27Å; A287-M306 HydrophobicContact CB-CB 4.37Å; A287-M306 PolarHBondContact O-N 3.2Å; M306-E308 WeakPolarHBondContact CE-O 2.99Å; M306-E308 PolarHBondContact O-N 3.08Å; M306-E308 VanDerWaalsContact O-N 3.16Å; M306-A310 HydrophobicContact CE-CB 4.14Å; M306-I325 HydrophobicContact CE-CD1 4.22Å; M306-I325 HydrophobicContact CE-CG2 3.95Å; M306-I325 HydrophobicContact CG-CD1 4.21Å; M306-I325 HydrophobicContact SD-CD1 4.03Å
307	P	95.6	Very high	97.4	Very high	82 Å²	82	35.7 Å²	35.7	53%	0.532	20%	0.196	S	C	.	.	S	Bend	trans	-62.1	-25.1	179.1	-25	34.8	0	0	0	113.4	F16 E305 F342	F16-P307 HydrophobicContact CB-CG 3.66Å; F16-P307 HydrophobicContact CG-CG 4.39Å; E305-P307 WeakPolarHBondContact O-CD 3.41Å; P307-F342 HydrophobicContact CB-CE1 3.86Å; P307-F342 HydrophobicContact CB-CZ 4.22Å; P307-F342 HydrophobicContact CG-CD1 4.08Å; P307-F342 HydrophobicContact CG-CE1 3.8Å
308	E	95.9	Very high	97.3	Very high	44 Å²	44	34.4 Å²	34.4	21%	0.206	19%	0.191	C	C	.	.	S	Bend	trans	-130	92.8	177.6	-170.7	175.2	-173.1	0	0	107	M306 A310 V330 T338 S340 F342	M306-E308 WeakPolarHBondContact CE-O 2.99Å; M306-E308 PolarHBondContact O-N 3.08Å; M306-E308 VanDerWaalsContact O-N 3.16Å; E308-A310 PolarHBondContact O-N 2.66Å; E308-V330 HydrophobicContact CG-CB 4.24Å; E308-V330 HydrophobicContact CG-CG1 3.65Å; E308-T338 WeakPolarHBondContact OE1-CB 3.48Å; E308-T338 PolarHBondContact OE1-OG1 2.8Å; E308-T338 PolarHBondContact OE2-OG1 3.39Å; E308-S340 VanDerWaalsContact OE2-CB 3.27Å; E308-S340 WeakPolarHBondContact OE2-CB 3.44Å; E308-S340 PolarHBondContact OE2-OG 3.4Å; E308-F342 HydrophobicContact CB-CE2 4.03Å; E308-F342 HydrophobicContact CB-CZ 3.95Å
309	P	97.6	Very high	97	Very high	50 Å²	50	36.5 Å²	36.5	33%	0.325	21%	0.209	S	C	.	.			trans	-57.1	132.9	-179.4	-22.8	33.1	0	0	0	110.1	I285 A287	I285-P309 HydrophobicContact CB-CB 4.45Å; I285-P309 VanDerWaalsContact CG2-C 3.41Å; I285-P309 HydrophobicContact CG2-CB 3.87Å; A287-P309 HydrophobicContact CB-CB 3.91Å; A287-P309 HydrophobicContact CB-CG 3.65Å
310	A	98.3	Very high	96.8	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	22%	0.22	C	C	.	.			trans	-143.2	155.6	-175.6	0	0	0	0	0	112.2	G279 I285 M306 E308 H313 V329 V330	G279-A310 PolarHBondContact N-O 2.74Å; I285-A310 VanDerWaalsContact CG2-C 3.43Å; I285-A310 VanDerWaalsContact CG2-CA 3.47Å; I285-A310 VanDerWaalsContact CG2-N 3.3Å; M306-A310 HydrophobicContact CE-CB 4.14Å; E308-A310 PolarHBondContact O-N 2.66Å; A310-H313 VanDerWaalsContact C-ND1 3.35Å; A310-H313 HydrophobicContact CB-CB 4.07Å; A310-H313 PolarHBondContact O-CE1 2.99Å; A310-H313 PolarHBondContact O-ND1 2.79Å; A310-H313 VanDerWaalsContact O-ND1 3.09Å; A310-V329 WeakPolarHBondContact CA-O 3.44Å; A310-V330 HydrophobicContact CB-CG1 4.22Å
311	Y	97.8	Very high	96.7	Very high	31 Å²	31	36 Å²	36	12%	0.122	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-130.3	158.3	163.4	75.9	-71.7	0	0	0	109.4	C264 I285 H313 G328 V329 I332	C264-Y311 HydrophobicContact CB-CD2 4.06Å; I285-Y311 HydrophobicContact CD1-CD1 3.82Å; I285-Y311 HydrophobicContact CD1-CE1 3.88Å; I285-Y311 HydrophobicContact CG1-CD1 3.81Å; I285-Y311 HydrophobicContact CG1-CE1 4.13Å; I285-Y311 HydrophobicContact CG2-CD1 4.33Å; Y311-H313 WeakPolarHBondContact CA-ND1 3.42Å; Y311-H313 PolarHBondContact O-N 3.15Å; Y311-H313 VanDerWaalsContact O-N 3.14Å; Y311-G328 WeakPolarHBondContact O-CA 3.15Å; Y311-V329 HydrophobicContact CD1-CB 3.89Å; Y311-V329 HydrophobicContact CD1-CG1 4.34Å; Y311-V329 WeakPolarHBondContact CD1-O 3.24Å; Y311-V329 HydrophobicContact CE1-CB 3.41Å; Y311-V329 VanDerWaalsContact CE1-CB 3.41Å; Y311-V329 HydrophobicContact CE1-CG1 3.46Å; Y311-V329 VanDerWaalsContact CE1-CG1 3.46Å; Y311-V329 HydrophobicContact CE1-CG2 4.33Å; Y311-V329 PolarHBondContact N-O 3.22Å; Y311-V329 VanDerWaalsContact N-O 3.17Å; Y311-V329 PolarHBondContact O-N 3.1Å; Y311-I332 HydrophobicContact CE1-CD1 4.43Å; Y311-I332 HydrophobicContact CE1-CG1 3.88Å
312	F	97.9	Very high	96.7	Very high	35 Å²	35	33.1 Å²	33.1	15%	0.154	20%	0.195	C	C	.	.	S	Bend	trans	57.8	18.4	-168.3	-65.9	-60.3	0	0	0	114	G40 R208 C264	G40-F312 PolarHBondContact N-O 2.89Å; R208-F312 HydrophobicContact CG-CE1 4.17Å; C264-F312 HydrophobicContact CB-CD1 3.69Å; C264-F312 HydrophobicContact CB-CD2 4.46Å; C264-F312 HydrophobicContact CB-CE1 3.83Å; C264-F312 HydrophobicContact CB-CG 4Å; C264-F312 HydrophobicContact CB-CZ 4.32Å; C264-F312 PolarHBondContact O-N 3.1Å; C264-F312 WeakPolarHBondContact SG-CE1 3.07Å; C264-F312 WeakPolarHBondContact SG-CZ 3.28Å
313	H	98.4	Very high	96.8	Very high	9 Å²	9	32 Å²	32	4%	0.042	19%	0.189	C	C	.	.			trans	-74.2	172.8	161.9	60.5	-70.3	0	0	0	109.9	S266 C277 A310 Y311 I325 G327	S266-H313 PolarHBondContact OG-CD2 3.4Å; S266-H313 PolarHBondContact OG-NE2 3.18Å; S266-H313 PolarHBondContact OG-O 2.81Å; C277-H313 PolarHBondContact O-CE1 3.45Å; C277-H313 PolarHBondContact O-NE2 3.02Å; A310-H313 VanDerWaalsContact C-ND1 3.35Å; A310-H313 HydrophobicContact CB-CB 4.07Å; A310-H313 PolarHBondContact O-CE1 2.99Å; A310-H313 PolarHBondContact O-ND1 2.79Å; A310-H313 VanDerWaalsContact O-ND1 3.09Å; Y311-H313 WeakPolarHBondContact CA-ND1 3.42Å; Y311-H313 PolarHBondContact O-N 3.15Å; Y311-H313 VanDerWaalsContact O-N 3.14Å; H313-I325 HydrophobicContact CB-CG2 4.36Å; H313-G327 WeakPolarHBondContact CB-O 3.16Å
314	C	98.5	Very high	97	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.4	170.9	174	0	0	0	0	110.4	C43 S266 I325 H326	C43-C314 WeakPolarHBondContact CA-SG 3.42Å; C43-C314 HydrophobicContact CB-CB 3.91Å; C43-C314 WeakPolarHBondContact CB-SG 3.44Å; C43-C314 PolarHBondContact N-SG 3.09Å; C43-C314 PolarHBondContact O-SG 3.46Å; C43-C314 WeakPolarHBondContact SG-CB 3.19Å; C43-C314 PolarHBondContact SG-O 2.91Å; C43-C314 CovalentContact SG-SG 2.06Å; C43-C314 PolarHBondContact SG-SG 3.38Å; S266-C314 VanDerWaalsContact OG-C 3.28Å; S266-C314 VanDerWaalsContact OG-CA 3.3Å; S266-C314 WeakPolarHBondContact OG-CA 3.4Å; C314-I325 WeakPolarHBondContact O-CA 3.41Å; C314-H326 PolarHBondContact N-O 3.11Å; C314-H326 VanDerWaalsContact N-O 3.1Å; C314-H326 PolarHBondContact O-N 2.84Å
315	A	98.4	Very high	97.1	Very high	8 Å²	8	27.2 Å²	27.2	7%	0.066	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	148	166.9	0	0	0	0	0	111.9	C43 S266 V268 M323 Y324 I325	C43-A315 PolarHBondContact SG-N 2.77Å; C43-A315 VanDerWaalsContact SG-N 3.4Å; S266-A315 VanDerWaalsContact CB-CB 3.45Å; S266-A315 PolarHBondContact OG-N 2.93Å; V268-A315 HydrophobicContact CG1-CB 3.97Å; A315-M323 HydrophobicContact CB-CG 4.01Å; A315-M323 HydrophobicContact CB-SD 3.91Å; A315-Y324 CarbonylContact C-O 3.47Å; A315-Y324 WeakPolarHBondContact CA-O 3.34Å; A315-I325 HydrophobicContact CB-CG1 3.9Å
316	A	98.5	Very high	97.2	Very high	7 Å²	7	22.2 Å²	22.2	6%	0.058	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148	170.2	0	0	0	0	0	109.3	A45 L50 M323 Y324	A45-A316 HydrophobicContact CB-CB 3.86Å; L50-A316 HydrophobicContact CD1-CB 3.73Å; A316-M323 CarbonylContact O-C 3.59Å; A316-M323 WeakPolarHBondContact O-CA 3.32Å; A316-Y324 PolarHBondContact N-O 2.95Å; A316-Y324 PolarHBondContact O-N 2.78Å
317	V	97.9	Very high	97.3	Very high	32 Å²	32	22 Å²	22	19%	0.194	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.9	-179.3	70.1	0	0	0	0	110.4	V268 I270 C322 M323	V268-V317 HydrophobicContact CB-CB 3.86Å; V268-V317 HydrophobicContact CB-CG1 3.86Å; V268-V317 HydrophobicContact CG1-CB 4.11Å; V268-V317 HydrophobicContact CG1-CG1 4.36Å; V268-V317 HydrophobicContact CG2-CB 4.1Å; V268-V317 HydrophobicContact CG2-CG1 4.47Å; I270-V317 HydrophobicContact CD1-CG2 3.84Å; I270-V317 HydrophobicContact CG1-CG1 4.47Å; I270-V317 HydrophobicContact CG1-CG2 3.86Å; V317-C322 WeakPolarHBondContact CA-O 3.43Å; V317-M323 HydrophobicContact CG2-CB 4.45Å
318	T	96.8	Very high	97.4	Very high	12 Å²	12	18 Å²	18	7%	0.074	11%	0.107	C	C	.	.			trans	-75.3	156.5	171.6	66.3	0	0	0	0	110	A45 F82 A320 G321 C322 Y324	A45-T318 HydrophobicContact CB-CG2 4.38Å; F82-T318 HydrophobicContact CD2-CG2 4.41Å; F82-T318 HydrophobicContact CE2-CG2 3.6Å; F82-T318 HydrophobicContact CZ-CG2 3.84Å; T318-A320 PolarHBondContact O-N 3.45Å; T318-A320 VanDerWaalsContact O-N 3.08Å; T318-G321 PolarHBondContact O-N 2.77Å; T318-C322 HydrophobicContact CG2-CB 4.45Å; T318-C322 PolarHBondContact N-O 3.29Å; T318-C322 PolarHBondContact OG1-N 2.78Å; T318-C322 VanDerWaalsContact OG1-N 3.15Å; T318-C322 PolarHBondContact OG1-O 3.11Å; T318-Y324 HydrophobicContact CG2-CD2 4.17Å; T318-Y324 HydrophobicContact CG2-CE2 3.7Å
319	P	92.8	Very high	97.5	Very high	98 Å²	98	16 Å²	16	64%	0.636	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.6	171.5	-31.4	39.7	0	0	0	114.5	N47 G321	N47-P319 VanDerWaalsContact OD1-CB 3.32Å; N47-P319 WeakPolarHBondContact OD1-CB 3.34Å; N47-P319 WeakPolarHBondContact OD1-CD 3.23Å; N47-P319 WeakPolarHBondContact OD1-CG 3.37Å; P319-G321 VanDerWaalsContact C-N 3.27Å; P319-G321 PolarHBondContact O-N 2.84Å
320	A	94	Very high	97.5	Very high	27 Å²	27	15 Å²	15	22%	0.223	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.4	174.5	0	0	0	0	0	114.1	T318 W345 T347 E353	T318-A320 PolarHBondContact O-N 3.45Å; T318-A320 VanDerWaalsContact O-N 3.08Å; A320-W345 HydrophobicContact CB-CH2 4.07Å; A320-W345 HydrophobicContact CB-CZ3 3.9Å; A320-W345 WeakPolarHBondContact O-CZ3 3.46Å; A320-T347 PolarHBondContact O-OG1 3.24Å; A320-E353 HydrophobicContact CB-CG 3.86Å
321	G	96.2	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	90.8	19.9	178.8	0	0	0	0	0	115.2	T318 P319 L346	T318-G321 PolarHBondContact O-N 2.77Å; P319-G321 VanDerWaalsContact C-N 3.27Å; P319-G321 PolarHBondContact O-N 2.84Å; G321-L346 PolarHBondContact O-N 2.89Å
322	C	97.3	Very high	97.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	118.8	169.2	-162.3	0	0	0	0	109.4	V317 T318 Y324 W345	V317-C322 WeakPolarHBondContact CA-O 3.43Å; T318-C322 HydrophobicContact CG2-CB 4.45Å; T318-C322 PolarHBondContact N-O 3.29Å; T318-C322 PolarHBondContact OG1-N 2.78Å; T318-C322 VanDerWaalsContact OG1-N 3.15Å; T318-C322 PolarHBondContact OG1-O 3.11Å; C322-Y324 HydrophobicContact CB-CE2 4Å; C322-W345 HydrophobicContact CB-CD2 3.85Å; C322-W345 HydrophobicContact CB-CE3 3.61Å; C322-W345 HydrophobicContact CB-CH2 3.81Å; C322-W345 HydrophobicContact CB-CZ2 4.03Å; C322-W345 HydrophobicContact CB-CZ3 3.6Å
323	M	98.1	Very high	96.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.5	175	179.1	178.1	66	0	0	110.1	F16 V268 L289 A315 A316 V317 I325 K343 I344 L346	F16-M323 HydrophobicContact CE1-CE 4.27Å; F16-M323 HydrophobicContact CZ-CE 4.31Å; V268-M323 HydrophobicContact CG1-CG 4.3Å; V268-M323 HydrophobicContact CG1-SD 4.21Å; V268-M323 HydrophobicContact CG2-CB 4.46Å; V268-M323 HydrophobicContact CG2-CG 4.08Å; V268-M323 HydrophobicContact CG2-SD 3.51Å; V268-M323 VanDerWaalsContact CG2-SD 3.51Å; L289-M323 HydrophobicContact CD1-CE 4.02Å; A315-M323 HydrophobicContact CB-CG 4.01Å; A315-M323 HydrophobicContact CB-SD 3.91Å; A316-M323 CarbonylContact O-C 3.59Å; A316-M323 WeakPolarHBondContact O-CA 3.32Å; V317-M323 HydrophobicContact CG2-CB 4.45Å; M323-I325 HydrophobicContact CE-CD1 3.9Å; M323-I325 HydrophobicContact CE-CG1 4.2Å; M323-I325 HydrophobicContact CG-CG1 4.37Å; M323-I325 HydrophobicContact SD-CG1 4.45Å; M323-K343 CarbonylContact O-C 3.53Å; M323-K343 VanDerWaalsContact O-CA 3.22Å; M323-K343 WeakPolarHBondContact O-CA 3.38Å; M323-I344 HydrophobicContact CB-CG2 3.93Å; M323-I344 HydrophobicContact CE-CG2 3.4Å; M323-I344 HydrophobicContact CG-CG2 4.5Å; M323-I344 PolarHBondContact N-O 2.9Å; M323-I344 PolarHBondContact O-N 2.73Å; M323-L346 HydrophobicContact CB-CD1 3.63Å; M323-L346 HydrophobicContact CB-CG 3.98Å; M323-L346 HydrophobicContact CE-CD1 4.38Å; M323-L346 HydrophobicContact CE-CD2 4.2Å; M323-L346 HydrophobicContact CG-CD1 4.39Å; M323-L346 HydrophobicContact SD-CD1 4.08Å
324	Y	98.4	Very high	96.5	Very high	13 Å²	13	31.5 Å²	31.5	5%	0.051	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.9	173.2	-69	-100.7	0	0	0	109.4	L19 Y80 F82 A315 A316 T318 C322 L341 F342 K343	L19-Y324 HydrophobicContact CD1-CD1 3.93Å; L19-Y324 HydrophobicContact CD1-CE1 3.58Å; Y80-Y324 HydrophobicContact CE1-CE1 4.42Å; F82-Y324 AromaticContact CD1-CE1 3.76Å; F82-Y324 HydrophobicContact CD1-CE1 3.76Å; F82-Y324 HydrophobicContact CD1-CE2 4.14Å; F82-Y324 AromaticContact CD1-CZ 3.52Å; F82-Y324 WeakPolarHBondContact CD1-OH 3.25Å; F82-Y324 AromaticContact CE1-CD1 3.98Å; F82-Y324 HydrophobicContact CE1-CD1 3.98Å; F82-Y324 AromaticContact CE1-CD2 3.97Å; F82-Y324 HydrophobicContact CE1-CD2 3.97Å; F82-Y324 AromaticContact CE1-CE1 3.55Å; F82-Y324 HydrophobicContact CE1-CE1 3.55Å; F82-Y324 AromaticContact CE1-CE2 3.57Å; F82-Y324 HydrophobicContact CE1-CE2 3.57Å; F82-Y324 HydrophobicContact CE1-CG 4.17Å; F82-Y324 AromaticContact CE1-CZ 3.35Å; F82-Y324 HydrophobicContact CE2-CE2 4.47Å; F82-Y324 HydrophobicContact CZ-CD2 4.09Å; F82-Y324 AromaticContact CZ-CE2 3.77Å; F82-Y324 HydrophobicContact CZ-CE2 3.77Å; A315-Y324 CarbonylContact C-O 3.47Å; A315-Y324 WeakPolarHBondContact CA-O 3.34Å; A316-Y324 PolarHBondContact N-O 2.95Å; A316-Y324 PolarHBondContact O-N 2.78Å; T318-Y324 HydrophobicContact CG2-CD2 4.17Å; T318-Y324 HydrophobicContact CG2-CE2 3.7Å; C322-Y324 HydrophobicContact CB-CE2 4Å; Y324-L341 HydrophobicContact CD1-CD1 4.25Å; Y324-F342 CarbonylContact C-O 3.59Å; Y324-F342 VanDerWaalsContact CA-O 3.25Å; Y324-F342 WeakPolarHBondContact CA-O 3.44Å; Y324-K343 HydrophobicContact CD1-CB 3.83Å; Y324-K343 HydrophobicContact CE1-CB 3.73Å; Y324-K343 HydrophobicContact CE1-CD 4.29Å; Y324-K343 HydrophobicContact CG-CB 4.34Å
325	I	98.4	Very high	96.1	Very high	3 Å²	3	34 Å²	34	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.4	177.8	-56.3	-180	0	0	0	109.3	F16 C277 M306 H313 C314 A315 M323 L341 F342	F16-I325 HydrophobicContact CD1-CD1 4.47Å; F16-I325 HydrophobicContact CE1-CD1 3.42Å; F16-I325 VanDerWaalsContact CE1-CD1 3.42Å; F16-I325 HydrophobicContact CE1-CG1 4.32Å; F16-I325 HydrophobicContact CZ-CD1 3.83Å; C277-I325 WeakPolarHBondContact SG-CD1 3.37Å; M306-I325 HydrophobicContact CE-CD1 4.22Å; M306-I325 HydrophobicContact CE-CG2 3.95Å; M306-I325 HydrophobicContact CG-CD1 4.21Å; M306-I325 HydrophobicContact SD-CD1 4.03Å; H313-I325 HydrophobicContact CB-CG2 4.36Å; C314-I325 WeakPolarHBondContact O-CA 3.41Å; A315-I325 HydrophobicContact CB-CG1 3.9Å; M323-I325 HydrophobicContact CE-CD1 3.9Å; M323-I325 HydrophobicContact CE-CG1 4.2Å; M323-I325 HydrophobicContact CG-CG1 4.37Å; M323-I325 HydrophobicContact SD-CG1 4.45Å; I325-L341 WeakPolarHBondContact O-CA 3.13Å; I325-F342 PolarHBondContact N-O 2.97Å; I325-F342 PolarHBondContact O-N 3.35Å
326	H	98.6	Very high	95.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.2	179.6	-178.4	-94.2	0	0	0	112.7	P35 H41 V52 W87 C314 S340 L341	P35-H326 WeakPolarHBondContact CG-NE2 3.37Å; H41-H326 AromaticContact CD2-ND1 3.7Å; H41-H326 AromaticContact CE1-ND1 3.58Å; H41-H326 PolarHBondContact CE1-O 2.88Å; H41-H326 AromaticContact NE2-CE1 3.97Å; H41-H326 AromaticContact NE2-CG 3.8Å; H41-H326 AromaticContact NE2-ND1 2.94Å; H41-H326 PolarHBondContact NE2-ND1 3.34Å; H41-H326 PolarHBondContact NE2-O 3.24Å; H41-H326 VanDerWaalsContact NE2-O 3.1Å; V52-H326 HydrophobicContact CG2-CB 4.4Å; W87-H326 AromaticContact CZ2-CD2 3.85Å; C314-H326 PolarHBondContact N-O 3.11Å; C314-H326 VanDerWaalsContact N-O 3.1Å; C314-H326 PolarHBondContact O-N 2.84Å; H326-S340 WeakPolarHBondContact CA-O 3.43Å; H326-L341 HydrophobicContact CB-CD1 4.2Å
327	G	98.3	Very high	95.8	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	21%	0.206	C	C	.	.			trans	62.4	-151.9	167.3	0	0	0	0	0	115.8	H313 T338 S340	H313-G327 WeakPolarHBondContact CB-O 3.16Å; G327-T338 WeakPolarHBondContact CA-O 3.34Å; G327-T338 WeakPolarHBondContact O-CG2 3.36Å; G327-S340 PolarHBondContact N-O 3Å; G327-S340 VanDerWaalsContact N-O 3.15Å
328	G	98.2	Very high	95.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.			trans	106.6	178.2	-177.7	0	0	0	0	0	113.9	R38 Y311 R337 T338	R38-G328 PolarHBondContact O-N 3.04Å; Y311-G328 WeakPolarHBondContact O-CA 3.15Å; G328-R337 CarbonylContact O-C 3.57Å; G328-R337 VanDerWaalsContact O-CA 3.24Å; G328-R337 WeakPolarHBondContact O-CA 3.37Å; G328-T338 PolarHBondContact O-N 3.06Å
329	V	98.1	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.8	173.6	-178.1	0	0	0	0	108.6	S39 A310 Y311 K336 R337	S39-V329 WeakPolarHBondContact OG-CG2 3.48Å; A310-V329 WeakPolarHBondContact CA-O 3.44Å; Y311-V329 HydrophobicContact CD1-CB 3.89Å; Y311-V329 HydrophobicContact CD1-CG1 4.34Å; Y311-V329 WeakPolarHBondContact CD1-O 3.24Å; Y311-V329 HydrophobicContact CE1-CB 3.41Å; Y311-V329 VanDerWaalsContact CE1-CB 3.41Å; Y311-V329 HydrophobicContact CE1-CG1 3.46Å; Y311-V329 VanDerWaalsContact CE1-CG1 3.46Å; Y311-V329 HydrophobicContact CE1-CG2 4.33Å; Y311-V329 PolarHBondContact N-O 3.22Å; Y311-V329 VanDerWaalsContact N-O 3.17Å; Y311-V329 PolarHBondContact O-N 3.1Å; V329-K336 WeakPolarHBondContact CA-O 3.44Å; V329-K336 WeakPolarHBondContact CG1-O 3.37Å; V329-R337 HydrophobicContact CG2-CG 4.01Å
330	V	97.4	Very high	95.9	Very high	31 Å²	31	35.8 Å²	35.8	19%	0.188	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-16.5	-172.6	-57.7	0	0	0	0	112.6	E308 A310 K336 T338	E308-V330 HydrophobicContact CG-CB 4.24Å; E308-V330 HydrophobicContact CG-CG1 3.65Å; A310-V330 HydrophobicContact CB-CG1 4.22Å; V330-K336 HydrophobicContact CG2-CB 4.16Å; V330-K336 HydrophobicContact CG2-CD 4.1Å; V330-K336 HydrophobicContact CG2-CG 3.95Å; V330-K336 WeakPolarHBondContact CG2-O 3.42Å; V330-K336 PolarHBondContact N-O 2.75Å; V330-T338 HydrophobicContact CG1-CG2 3.58Å
331	N	95.8	Very high	96.1	Very high	46 Å²	46	34.7 Å²	34.7	25%	0.246	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	121.7	171.3	-171.7	-26.1	0	0	0	109.4	H333 E334 N335 K336	N331-H333 PolarHBondContact OD1-N 3.47Å; N331-E334 HydrophobicContact CB-CB 4.26Å; N331-E334 WeakPolarHBondContact ND2-CG 3.49Å; N331-E334 PolarHBondContact ND2-OE2 3.34Å; N331-E334 PolarHBondContact OD1-N 3.38Å; N331-N335 CarbonylContact O-C 3.59Å; N331-N335 WeakPolarHBondContact O-CA 3.44Å; N331-N335 PolarHBondContact O-N 2.98Å; N331-K336 HydrophobicContact CB-CB 3.84Å; N331-K336 PolarHBondContact N-O 3.07Å; N331-K336 PolarHBondContact O-N 3.44Å
332	I	91.6	Very high	96.2	Very high	64 Å²	64	35.3 Å²	35.3	33%	0.328	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-43.5	-178.7	-56.6	177.6	0	0	0	110.8	Y280 I285 Y311 N335	Y280-I332 HydrophobicContact CD2-CD1 3.93Å; Y280-I332 HydrophobicContact CE2-CD1 3.35Å; I285-I332 HydrophobicContact CD1-CD1 4.44Å; I285-I332 HydrophobicContact CD1-CG1 3.94Å; I285-I332 HydrophobicContact CG1-CD1 4.11Å; I285-I332 HydrophobicContact CG1-CG1 4.16Å; Y311-I332 HydrophobicContact CE1-CD1 4.43Å; Y311-I332 HydrophobicContact CE1-CG1 3.88Å; I332-N335 PolarHBondContact O-N 3.35Å
333	H	91.4	Very high	96.2	Very high	182 Å²	182	36.1 Å²	36.1	84%	0.843	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-40	-173.2	-60.1	-62.3	0	0	0	112.5	N331 N335	N331-H333 PolarHBondContact OD1-N 3.47Å; H333-N335 VanDerWaalsContact C-N 3.27Å
334	E	92	Very high	96.2	Very high	129 Å²	129	36.1 Å²	36.1	60%	0.603	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.4	176.9	-64.3	175	169.3	0	0	112.5	N331 K336	N331-E334 HydrophobicContact CB-CB 4.26Å; N331-E334 WeakPolarHBondContact ND2-CG 3.49Å; N331-E334 PolarHBondContact ND2-OE2 3.34Å; N331-E334 PolarHBondContact OD1-N 3.38Å; E334-K336 HydrophobicContact CB-CB 4.16Å; E334-K336 PolarHBondContact O-N 3.31Å; E334-K336 VanDerWaalsContact O-N 3.08Å
335	N	89.6	Confident	96.1	Very high	56 Å²	56	36 Å²	36	30%	0.299	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	31	-170.9	-172.8	43.5	0	0	0	112.7	D59 N331 I332 H333 R337	D59-N335 PolarHBondContact OD2-ND2 2.89Å; D59-N335 VanDerWaalsContact OD2-ND2 3.14Å; N331-N335 CarbonylContact O-C 3.59Å; N331-N335 WeakPolarHBondContact O-CA 3.44Å; N331-N335 PolarHBondContact O-N 2.98Å; I332-N335 PolarHBondContact O-N 3.35Å; H333-N335 VanDerWaalsContact C-N 3.27Å; N335-R337 PolarHBondContact ND2-NH1 2.66Å; N335-R337 PolarHBondContact O-N 3.41Å; N335-R337 PolarHBondContact O-NH1 2.85Å; N335-R337 PolarHBondContact OD1-NH1 2.88Å; N335-R337 PolarHBondContact OD1-NH2 2.86Å
336	K	95.4	Very high	96	Very high	113 Å²	113	36.6 Å²	36.6	49%	0.491	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.1	-169.7	-170.1	177.5	179.4	175.2	0	111.4	V329 V330 N331 E334	V329-K336 WeakPolarHBondContact CA-O 3.44Å; V329-K336 WeakPolarHBondContact CG1-O 3.37Å; V330-K336 HydrophobicContact CG2-CB 4.16Å; V330-K336 HydrophobicContact CG2-CD 4.1Å; V330-K336 HydrophobicContact CG2-CG 3.95Å; V330-K336 WeakPolarHBondContact CG2-O 3.42Å; V330-K336 PolarHBondContact N-O 2.75Å; N331-K336 HydrophobicContact CB-CB 3.84Å; N331-K336 PolarHBondContact N-O 3.07Å; N331-K336 PolarHBondContact O-N 3.44Å; E334-K336 HydrophobicContact CB-CB 4.16Å; E334-K336 PolarHBondContact O-N 3.31Å; E334-K336 VanDerWaalsContact O-N 3.08Å
337	R	96.6	Very high	95.7	Very high	20 Å²	20	38.7 Å²	38.7	8%	0.075	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	159.2	172.6	-71.8	164	-169.6	66.8	15.7	111.5	A37 S39 Y56 D59 G328 V329 N335	A37-R337 HydrophobicContact CB-CB 4.11Å; S39-R337 PolarHBondContact OG-NE 2.91Å; Y56-R337 WeakPolarHBondContact O-CD 3.36Å; Y56-R337 PolarHBondContact O-NE 2.87Å; Y56-R337 PolarHBondContact OH-NH2 3.41Å; D59-R337 IonicContact OD2-NH1 3.58Å; G328-R337 CarbonylContact O-C 3.57Å; G328-R337 VanDerWaalsContact O-CA 3.24Å; G328-R337 WeakPolarHBondContact O-CA 3.37Å; V329-R337 HydrophobicContact CG2-CG 4.01Å; N335-R337 PolarHBondContact ND2-NH1 2.66Å; N335-R337 PolarHBondContact O-N 3.41Å; N335-R337 PolarHBondContact O-NH1 2.85Å; N335-R337 PolarHBondContact OD1-NH1 2.88Å; N335-R337 PolarHBondContact OD1-NH2 2.86Å
338	T	96.7	Very high	95.5	Very high	16 Å²	16	43.9 Å²	43.9	10%	0.098	23%	0.23	C	C	.	.			trans	-120.1	155.2	173.2	-166.2	0	0	0	0	111.5	A37 R38 E308 G327 G328 V330 S340	A37-T338 VanDerWaalsContact CA-O 3.32Å; A37-T338 WeakPolarHBondContact CA-O 3.39Å; A37-T338 VanDerWaalsContact CB-C 3.44Å; R38-T338 PolarHBondContact N-O 3.07Å; E308-T338 WeakPolarHBondContact OE1-CB 3.48Å; E308-T338 PolarHBondContact OE1-OG1 2.8Å; E308-T338 PolarHBondContact OE2-OG1 3.39Å; G327-T338 WeakPolarHBondContact CA-O 3.34Å; G327-T338 WeakPolarHBondContact O-CG2 3.36Å; G328-T338 PolarHBondContact O-N 3.06Å; V330-T338 HydrophobicContact CG1-CG2 3.58Å; T338-S340 WeakPolarHBondContact OG1-CB 3.29Å; T338-S340 PolarHBondContact OG1-N 3.05Å; T338-S340 PolarHBondContact OG1-OG 2.94Å; T338-S340 VanDerWaalsContact OG1-OG 3.08Å
339	G	95.8	Very high	95.3	Very high	30 Å²	30	44.5 Å²	44.5	31%	0.309	23%	0.234	S	C	.	.			trans	-114.5	14.5	167.5	0	0	0	0	0	111.5
340	S	97	Very high	95.1	Very high	15 Å²	15	47.3 Å²	47.3	11%	0.105	25%	0.254	C	S	.	.			trans	-59.4	142.9	178.2	-71.4	0	0	0	0	111	K18 E308 H326 G327 T338 F342	K18-S340 WeakPolarHBondContact CE-OG 3.16Å; K18-S340 PolarHBondContact NZ-OG 3.19Å; K18-S340 VanDerWaalsContact NZ-OG 3.1Å; E308-S340 VanDerWaalsContact OE2-CB 3.27Å; E308-S340 WeakPolarHBondContact OE2-CB 3.44Å; E308-S340 PolarHBondContact OE2-OG 3.4Å; H326-S340 WeakPolarHBondContact CA-O 3.43Å; G327-S340 PolarHBondContact N-O 3Å; G327-S340 VanDerWaalsContact N-O 3.15Å; T338-S340 WeakPolarHBondContact OG1-CB 3.29Å; T338-S340 PolarHBondContact OG1-N 3.05Å; T338-S340 PolarHBondContact OG1-OG 2.94Å; T338-S340 VanDerWaalsContact OG1-OG 3.08Å; S340-F342 VanDerWaalsContact CB-CE2 3.42Å
341	L	98	Very high	94.9	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.9	169	179.5	66.8	0	0	0	108.7	L19 L50 Y80 W87 Y324 I325 H326	L19-L341 HydrophobicContact CB-CB 4.33Å; L19-L341 HydrophobicContact CB-CD2 3.96Å; L19-L341 HydrophobicContact CB-CG 4.1Å; L19-L341 HydrophobicContact CD1-CD2 3.78Å; L19-L341 HydrophobicContact CD1-CG 4.05Å; L19-L341 HydrophobicContact CG-CD2 4.48Å; L19-L341 PolarHBondContact N-O 3.09Å; L50-L341 HydrophobicContact CD2-CD1 3.51Å; Y80-L341 HydrophobicContact CD1-CD2 3.74Å; Y80-L341 HydrophobicContact CD2-CD2 3.78Å; Y80-L341 HydrophobicContact CE1-CD2 3.81Å; Y80-L341 HydrophobicContact CE2-CD2 3.84Å; Y80-L341 HydrophobicContact CG-CD2 3.71Å; W87-L341 HydrophobicContact CZ2-CB 4.24Å; W87-L341 HydrophobicContact CZ2-CD1 4.27Å; W87-L341 HydrophobicContact CZ2-CD2 3.75Å; W87-L341 HydrophobicContact CZ2-CG 4.31Å; Y324-L341 HydrophobicContact CD1-CD1 4.25Å; I325-L341 WeakPolarHBondContact O-CA 3.13Å; H326-L341 HydrophobicContact CB-CD1 4.2Å
342	F	97.9	Very high	94.8	Very high	13 Å²	13	53.6 Å²	53.6	6%	0.057	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	150.6	173	-61.1	-88.8	0	0	0	110.2	F16 E17 K18 P307 E308 Y324 I325 S340	F16-F342 HydrophobicContact CD1-CB 4.07Å; E17-F342 CarbonylContact O-C 3.54Å; E17-F342 VanDerWaalsContact O-CA 3.24Å; E17-F342 WeakPolarHBondContact O-CA 3.4Å; K18-F342 HydrophobicContact CB-CD1 3.76Å; K18-F342 HydrophobicContact CB-CE1 3.58Å; K18-F342 HydrophobicContact CD-CE1 3.86Å; K18-F342 HydrophobicContact CD-CZ 4.06Å; K18-F342 HydrophobicContact CG-CD1 4.04Å; K18-F342 HydrophobicContact CG-CE1 3.64Å; K18-F342 HydrophobicContact CG-CZ 4.15Å; P307-F342 HydrophobicContact CB-CE1 3.86Å; P307-F342 HydrophobicContact CB-CZ 4.22Å; P307-F342 HydrophobicContact CG-CD1 4.08Å; P307-F342 HydrophobicContact CG-CE1 3.8Å; E308-F342 HydrophobicContact CB-CE2 4.03Å; E308-F342 HydrophobicContact CB-CZ 3.95Å; Y324-F342 CarbonylContact C-O 3.59Å; Y324-F342 VanDerWaalsContact CA-O 3.25Å; Y324-F342 WeakPolarHBondContact CA-O 3.44Å; I325-F342 PolarHBondContact N-O 2.97Å; I325-F342 PolarHBondContact O-N 3.35Å; S340-F342 VanDerWaalsContact CB-CE2 3.42Å
343	K	97.1	Very high	95	Very high	17 Å²	17	51.6 Å²	51.6	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	155.9	166.2	76.6	168.5	-164.5	176.9	0	111.9	F16 E17 L19 M323 Y324 E357	F16-K343 WeakPolarHBondContact CA-O 3.45Å; E17-K343 HydrophobicContact CB-CG 4.08Å; E17-K343 PolarHBondContact N-O 3.46Å; E17-K343 PolarHBondContact O-N 3.48Å; E17-K343 WeakPolarHBondContact OE2-CE 3.44Å; E17-K343 IonicContact OE2-NZ 2.72Å; L19-K343 HydrophobicContact CD1-CB 4.01Å; L19-K343 HydrophobicContact CD1-CD 4.22Å; L19-K343 HydrophobicContact CD1-CG 4.09Å; L19-K343 HydrophobicContact CD2-CD 4.21Å; L19-K343 HydrophobicContact CD2-CG 4.16Å; L19-K343 HydrophobicContact CG-CG 4.26Å; M323-K343 CarbonylContact O-C 3.53Å; M323-K343 VanDerWaalsContact O-CA 3.22Å; M323-K343 WeakPolarHBondContact O-CA 3.38Å; Y324-K343 HydrophobicContact CD1-CB 3.83Å; Y324-K343 HydrophobicContact CE1-CB 3.73Å; Y324-K343 HydrophobicContact CE1-CD 4.29Å; Y324-K343 HydrophobicContact CG-CB 4.34Å; K343-E357 VanDerWaalsContact NZ-CD 3.27Å; K343-E357 IonicContact NZ-OE1 3.77Å; K343-E357 PolarHBondContact NZ-OE1 3.4Å; K343-E357 IonicContact NZ-OE2 3.22Å; K343-E357 PolarHBondContact NZ-OE2 2.87Å
344	I	97.3	Very high	95.1	Very high	2 Å²	2	45 Å²	45	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	137.4	174.7	-177.9	162.5	0	0	0	109.8	F16 L289 A304 M323 L346	F16-I344 HydrophobicContact CD1-CB 3.83Å; F16-I344 HydrophobicContact CD1-CD1 4.24Å; F16-I344 HydrophobicContact CD1-CG2 3.96Å; F16-I344 HydrophobicContact CD2-CD1 3.9Å; F16-I344 HydrophobicContact CE1-CB 3.88Å; F16-I344 HydrophobicContact CE1-CD1 4.12Å; F16-I344 HydrophobicContact CE1-CG2 3.49Å; F16-I344 VanDerWaalsContact CE1-CG2 3.49Å; F16-I344 HydrophobicContact CE2-CD1 3.8Å; F16-I344 HydrophobicContact CG-CB 4.38Å; F16-I344 HydrophobicContact CG-CD1 4.14Å; F16-I344 HydrophobicContact CZ-CD1 3.92Å; F16-I344 HydrophobicContact CZ-CG2 4.07Å; L289-I344 HydrophobicContact CD2-CD1 3.95Å; A304-I344 HydrophobicContact CB-CD1 3.52Å; M323-I344 HydrophobicContact CB-CG2 3.93Å; M323-I344 HydrophobicContact CE-CG2 3.4Å; M323-I344 HydrophobicContact CG-CG2 4.5Å; M323-I344 PolarHBondContact N-O 2.9Å; M323-I344 PolarHBondContact O-N 2.73Å; I344-L346 HydrophobicContact CG2-CD2 4.27Å
345	W	96.9	Very high	95.2	Very high	9 Å²	9	42.2 Å²	42.2	3%	0.034	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	118.4	171.5	-73.5	108.4	0	0	0	110.1	L13 N14 A320 C322 P349 E353 E357	L13-W345 HydrophobicContact CD2-CB 4.31Å; N14-W345 PolarHBondContact N-O 2.88Å; A320-W345 HydrophobicContact CB-CH2 4.07Å; A320-W345 HydrophobicContact CB-CZ3 3.9Å; A320-W345 WeakPolarHBondContact O-CZ3 3.46Å; C322-W345 HydrophobicContact CB-CD2 3.85Å; C322-W345 HydrophobicContact CB-CE3 3.61Å; C322-W345 HydrophobicContact CB-CH2 3.81Å; C322-W345 HydrophobicContact CB-CZ2 4.03Å; C322-W345 HydrophobicContact CB-CZ3 3.6Å; W345-P349 HydrophobicContact CB-CG 4.26Å; W345-P349 HydrophobicContact CD2-CB 4.05Å; W345-P349 HydrophobicContact CD2-CG 3.46Å; W345-P349 VanDerWaalsContact CD2-CG 3.46Å; W345-P349 HydrophobicContact CE3-CB 3.95Å; W345-P349 HydrophobicContact CE3-CG 3.71Å; W345-P349 HydrophobicContact CG-CG 3.7Å; W345-P349 HydrophobicContact CH2-CB 3.94Å; W345-P349 HydrophobicContact CH2-CG 4.42Å; W345-P349 HydrophobicContact CZ2-CB 4.03Å; W345-P349 HydrophobicContact CZ2-CG 4.2Å; W345-P349 HydrophobicContact CZ3-CB 3.88Å; W345-P349 HydrophobicContact CZ3-CG 4.18Å; W345-E353 HydrophobicContact CH2-CB 3.9Å; W345-E353 HydrophobicContact CH2-CG 4.02Å; W345-E353 HydrophobicContact CZ2-CB 4.33Å; W345-E357 WeakPolarHBondContact CZ2-OE1 3.42Å
346	L	96	Very high	95.4	Very high	16 Å²	16	40.5 Å²	40.5	8%	0.084	23%	0.228	C	C	.	.	S	Bend	trans	-91.6	-22.4	178.5	-63.8	179.5	0	0	0	112.4	V268 I270 F275 L289 G321 M323 I344	V268-L346 HydrophobicContact CG2-CD1 3.76Å; I270-L346 HydrophobicContact CD1-CB 3.79Å; I270-L346 HydrophobicContact CD1-CD1 4.09Å; F275-L346 HydrophobicContact CB-CD1 4.06Å; F275-L346 HydrophobicContact CD1-CB 4.44Å; F275-L346 HydrophobicContact CD1-CD1 3.97Å; F275-L346 HydrophobicContact CD1-CD2 3.8Å; F275-L346 HydrophobicContact CD1-CG 4.3Å; F275-L346 HydrophobicContact CD2-CD1 3.76Å; F275-L346 HydrophobicContact CE1-CB 3.99Å; F275-L346 HydrophobicContact CE1-CD1 4.3Å; F275-L346 HydrophobicContact CE1-CD2 4.02Å; F275-L346 HydrophobicContact CE1-CG 4.34Å; F275-L346 HydrophobicContact CE2-CB 4.32Å; F275-L346 HydrophobicContact CE2-CD1 4.14Å; F275-L346 HydrophobicContact CG-CD1 3.67Å; F275-L346 HydrophobicContact CG-CD2 4.31Å; F275-L346 HydrophobicContact CG-CG 4.48Å; F275-L346 HydrophobicContact CZ-CB 3.93Å; F275-L346 HydrophobicContact CZ-CD1 4.39Å; L289-L346 HydrophobicContact CD2-CD2 3.86Å; G321-L346 PolarHBondContact O-N 2.89Å; M323-L346 HydrophobicContact CB-CD1 3.63Å; M323-L346 HydrophobicContact CB-CG 3.98Å; M323-L346 HydrophobicContact CE-CD1 4.38Å; M323-L346 HydrophobicContact CE-CD2 4.2Å; M323-L346 HydrophobicContact CG-CD1 4.39Å; M323-L346 HydrophobicContact SD-CD1 4.08Å; I344-L346 HydrophobicContact CG2-CD2 4.27Å
347	T	93.3	Very high	95.3	Very high	46 Å²	46	37.3 Å²	37.3	28%	0.282	22%	0.215	S	C	.	.	S	Bend	trans	-124.3	158.1	171.9	55.3	0	0	0	0	109.6	I270 A320 P349	I270-T347 HydrophobicContact CD1-CG2 3.97Å; I270-T347 HydrophobicContact CG2-CG2 4.23Å; A320-T347 PolarHBondContact O-OG1 3.24Å; T347-P349 WeakPolarHBondContact O-CD 3.35Å; T347-P349 VanDerWaalsContact O-N 3.14Å
348	V	93	Very high	95.1	Very high	113 Å²	113	42 Å²	42	69%	0.685	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-56.4	119.2	171.5	-171.8	0	0	0	0	108.4	L13	L13-V348 HydrophobicContact CD1-CG2 3.99Å; L13-V348 HydrophobicContact CD2-CG2 4.49Å
349	P	93.4	Very high	95	Very high	12 Å²	12	43.8 Å²	43.8	8%	0.078	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-63.6	146.5	178.3	-13.3	26.3	0	0	0	109.4	W345 T347 E353 L354	W345-P349 HydrophobicContact CB-CG 4.26Å; W345-P349 HydrophobicContact CD2-CB 4.05Å; W345-P349 HydrophobicContact CD2-CG 3.46Å; W345-P349 VanDerWaalsContact CD2-CG 3.46Å; W345-P349 HydrophobicContact CE3-CB 3.95Å; W345-P349 HydrophobicContact CE3-CG 3.71Å; W345-P349 HydrophobicContact CG-CG 3.7Å; W345-P349 HydrophobicContact CH2-CB 3.94Å; W345-P349 HydrophobicContact CH2-CG 4.42Å; W345-P349 HydrophobicContact CZ2-CB 4.03Å; W345-P349 HydrophobicContact CZ2-CG 4.2Å; W345-P349 HydrophobicContact CZ3-CB 3.88Å; W345-P349 HydrophobicContact CZ3-CG 4.18Å; T347-P349 WeakPolarHBondContact O-CD 3.35Å; T347-P349 VanDerWaalsContact O-N 3.14Å; P349-E353 HydrophobicContact CB-CB 4.1Å; P349-L354 HydrophobicContact CB-CD2 3.98Å; P349-L354 HydrophobicContact CB-CG 4.06Å; P349-L354 HydrophobicContact CG-CD2 3.98Å
350	S	94.1	Very high	94.8	Very high	59 Å²	59	43.2 Å²	43.2	41%	0.413	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-65.4	158.7	173.2	76.8	0	0	0	0	110.5	L352 E353 L354	S350-L352 PolarHBondContact O-N 3.17Å; S350-L352 PolarHBondContact OG-N 2.84Å; S350-E353 PolarHBondContact O-N 3.13Å; S350-E353 PolarHBondContact OG-N 3.08Å; S350-L354 PolarHBondContact O-N 3.32Å
351	L	94.8	Very high	94.5	Very high	133 Å²	133	50.4 Å²	50.4	70%	0.696	26%	0.264	S	S	*	.	H	α-helix	trans	-55.2	-35.8	173.6	-178.6	61.5	0	0	0	111.5	L354 C355	L351-L354 PolarHBondContact O-N 3.07Å; L351-C355 VanDerWaalsContact O-CB 3.27Å; L351-C355 WeakPolarHBondContact O-CB 3.4Å; L351-C355 PolarHBondContact O-N 3.09Å; L351-C355 PolarHBondContact O-SG 2.96Å
352	L	93.9	Very high	94.3	Very high	76 Å²	76	53.3 Å²	53.3	40%	0.398	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-48.6	174.9	178.7	64.8	0	0	0	111.5	S350 C355 W356 L383	S350-L352 PolarHBondContact O-N 3.17Å; S350-L352 PolarHBondContact OG-N 2.84Å; L352-C355 PolarHBondContact O-N 2.85Å; L352-W356 WeakPolarHBondContact O-CB 3.44Å; L352-W356 PolarHBondContact O-N 2.92Å; L352-L383 HydrophobicContact CD1-CD1 4.23Å; L352-L383 HydrophobicContact CD1-CD2 4.2Å
353	E	94.6	Very high	94	Very high	22 Å²	22	57.7 Å²	57.7	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-43.1	179.7	-63.5	-57	148.4	0	0	111.8	A320 W345 P349 S350 W356 E357 R386	A320-E353 HydrophobicContact CB-CG 3.86Å; W345-E353 HydrophobicContact CH2-CB 3.9Å; W345-E353 HydrophobicContact CH2-CG 4.02Å; W345-E353 HydrophobicContact CZ2-CB 4.33Å; P349-E353 HydrophobicContact CB-CB 4.1Å; S350-E353 PolarHBondContact O-N 3.13Å; S350-E353 PolarHBondContact OG-N 3.08Å; E353-W356 PolarHBondContact O-N 3.04Å; E353-E357 PolarHBondContact O-N 3.2Å; E353-R386 VanDerWaalsContact CD-NH1 3.31Å; E353-R386 IonicContact OE1-CZ 3.57Å; E353-R386 IonicContact OE1-NH1 3.14Å; E353-R386 PolarHBondContact OE1-NH1 2.79Å; E353-R386 IonicContact OE1-NH2 2.81Å; E353-R386 PolarHBondContact OE1-NH2 2.93Å; E353-R386 VanDerWaalsContact OE1-NH2 3.14Å; E353-R386 IonicContact OE2-NH1 3.38Å; E353-R386 PolarHBondContact OE2-NH1 2.86Å; E353-R386 VanDerWaalsContact OE2-NH1 3.14Å
354	L	93.6	Very high	93.5	Very high	45 Å²	45	59.1 Å²	59.1	24%	0.236	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-48	176.3	-67	175.1	0	0	0	111.4	P349 S350 L351 W356 K358	P349-L354 HydrophobicContact CB-CD2 3.98Å; P349-L354 HydrophobicContact CB-CG 4.06Å; P349-L354 HydrophobicContact CG-CD2 3.98Å; S350-L354 PolarHBondContact O-N 3.32Å; L351-L354 PolarHBondContact O-N 3.07Å; L354-W356 VanDerWaalsContact C-N 3.32Å; L354-W356 PolarHBondContact O-N 3.05Å; L354-K358 WeakPolarHBondContact O-CB 3.22Å; L354-K358 WeakPolarHBondContact O-CG 3.25Å; L354-K358 PolarHBondContact O-N 2.9Å; L354-K358 VanDerWaalsContact O-N 3.07Å
355	C	94.3	Very high	93	Very high	70 Å²	70	63.4 Å²	63.4	47%	0.473	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-40.2	176.9	-74	0	0	0	0	111.5	L351 L352 K358 L359	L351-C355 VanDerWaalsContact O-CB 3.27Å; L351-C355 WeakPolarHBondContact O-CB 3.4Å; L351-C355 PolarHBondContact O-N 3.09Å; L351-C355 PolarHBondContact O-SG 2.96Å; L352-C355 PolarHBondContact O-N 2.85Å; C355-K358 PolarHBondContact O-N 2.81Å; C355-L359 VanDerWaalsContact O-CB 3.22Å; C355-L359 WeakPolarHBondContact O-CB 3.5Å; C355-L359 PolarHBondContact O-N 3.01Å
356	W	94.1	Very high	92.6	Very high	19 Å²	19	63.3 Å²	63.3	7%	0.072	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-47.4	179.4	-174.3	-120.7	0	0	0	112.1	A83 L352 E353 L354 K358 L359 L360 L366 L379 L383 R386 V387	A83-W356 HydrophobicContact CB-CZ2 4.48Å; L352-W356 WeakPolarHBondContact O-CB 3.44Å; L352-W356 PolarHBondContact O-N 2.92Å; E353-W356 PolarHBondContact O-N 3.04Å; L354-W356 VanDerWaalsContact C-N 3.32Å; L354-W356 PolarHBondContact O-N 3.05Å; W356-K358 VanDerWaalsContact C-N 3.33Å; W356-K358 PolarHBondContact O-N 2.91Å; W356-L359 HydrophobicContact CE3-CD2 3.89Å; W356-L359 HydrophobicContact CZ3-CD2 3.77Å; W356-L359 PolarHBondContact O-N 3.06Å; W356-L360 HydrophobicContact CD2-CD1 4.14Å; W356-L360 HydrophobicContact CD2-CG 4.28Å; W356-L360 HydrophobicContact CG-CD1 4.24Å; W356-L360 HydrophobicContact CH2-CD2 4.33Å; W356-L360 HydrophobicContact CZ2-CD1 4.1Å; W356-L360 HydrophobicContact CZ2-CD2 4.03Å; W356-L360 HydrophobicContact CZ2-CG 4.24Å; W356-L360 WeakPolarHBondContact O-CG 3.04Å; W356-L360 PolarHBondContact O-N 3.18Å; W356-L366 HydrophobicContact CH2-CD2 4.19Å; W356-L366 HydrophobicContact CZ3-CD2 4.11Å; W356-L379 HydrophobicContact CH2-CD1 4.33Å; W356-L379 HydrophobicContact CZ3-CD1 4.19Å; W356-L379 HydrophobicContact CZ3-CD2 4.24Å; W356-L383 HydrophobicContact CD2-CD2 3.84Å; W356-L383 HydrophobicContact CE3-CB 4.48Å; W356-L383 HydrophobicContact CE3-CD1 4.11Å; W356-L383 HydrophobicContact CE3-CD2 3.77Å; W356-L383 HydrophobicContact CE3-CG 4.35Å; W356-L383 HydrophobicContact CG-CD2 4.3Å; W356-L383 HydrophobicContact CH2-CB 4.09Å; W356-L383 HydrophobicContact CZ3-CB 3.98Å; W356-L383 HydrophobicContact CZ3-CD1 4.14Å; W356-L383 HydrophobicContact CZ3-CD2 4.12Å; W356-L383 HydrophobicContact CZ3-CG 4.31Å; W356-R386 HydrophobicContact CZ2-CB 4.24Å; W356-V387 HydrophobicContact CH2-CG2 3.6Å; W356-V387 HydrophobicContact CZ2-CG2 3.62Å
357	E	92.3	Very high	92.2	Very high	47 Å²	47	64.2 Å²	64.2	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-60.7	-42.7	175.3	-72.6	-164.9	168.2	0	0	111.7	K343 W345 E353 K361	K343-E357 VanDerWaalsContact NZ-CD 3.27Å; K343-E357 IonicContact NZ-OE1 3.77Å; K343-E357 PolarHBondContact NZ-OE1 3.4Å; K343-E357 IonicContact NZ-OE2 3.22Å; K343-E357 PolarHBondContact NZ-OE2 2.87Å; W345-E357 WeakPolarHBondContact CZ2-OE1 3.42Å; E353-E357 PolarHBondContact O-N 3.2Å; E357-K361 VanDerWaalsContact O-CB 3.32Å; E357-K361 WeakPolarHBondContact O-CB 3.38Å; E357-K361 PolarHBondContact O-N 3.39Å
358	K	93.4	Very high	91.9	Very high	117 Å²	117	65.4 Å²	65.4	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-65.1	-42.2	177	-68.8	-73.3	-177.5	173	0	111.7	L354 C355 W356 K361 A362	L354-K358 WeakPolarHBondContact O-CB 3.22Å; L354-K358 WeakPolarHBondContact O-CG 3.25Å; L354-K358 PolarHBondContact O-N 2.9Å; L354-K358 VanDerWaalsContact O-N 3.07Å; C355-K358 PolarHBondContact O-N 2.81Å; W356-K358 VanDerWaalsContact C-N 3.33Å; W356-K358 PolarHBondContact O-N 2.91Å; K358-K361 PolarHBondContact O-N 2.67Å; K358-A362 WeakPolarHBondContact O-CB 3.28Å; K358-A362 PolarHBondContact O-N 2.71Å
359	L	93.4	Very high	91.7	Very high	54 Å²	54	62 Å²	62	28%	0.283	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-48.9	178.2	-175.4	74.6	0	0	0	110.8	C355 W356 K361 A362 F363 L366 L379	C355-L359 VanDerWaalsContact O-CB 3.22Å; C355-L359 WeakPolarHBondContact O-CB 3.5Å; C355-L359 PolarHBondContact O-N 3.01Å; W356-L359 HydrophobicContact CE3-CD2 3.89Å; W356-L359 HydrophobicContact CZ3-CD2 3.77Å; W356-L359 PolarHBondContact O-N 3.06Å; L359-K361 VanDerWaalsContact C-N 3.29Å; L359-K361 PolarHBondContact O-N 3.21Å; L359-A362 PolarHBondContact O-N 2.84Å; L359-F363 HydrophobicContact CD1-CD2 3.73Å; L359-F363 HydrophobicContact CD1-CE2 4.14Å; L359-F363 HydrophobicContact CG-CD2 4.47Å; L359-F363 PolarHBondContact O-N 3.16Å; L359-L366 HydrophobicContact CD2-CD2 3.57Å; L359-L366 HydrophobicContact CG-CD2 3.94Å; L359-L379 HydrophobicContact CD2-CD2 4.22Å
360	L	92.2	Very high	91.5	Very high	18 Å²	18	65.1 Å²	65.1	9%	0.094	35%	0.353	C	S	.	.	H	α-helix	trans	-64.1	-33.9	178	-70	170.7	0	0	0	112.6	A83 W356 F363 P364 L366 T367	A83-L360 HydrophobicContact CB-CD1 3.78Å; A83-L360 HydrophobicContact CB-CD2 4.11Å; W356-L360 HydrophobicContact CD2-CD1 4.14Å; W356-L360 HydrophobicContact CD2-CG 4.28Å; W356-L360 HydrophobicContact CG-CD1 4.24Å; W356-L360 HydrophobicContact CH2-CD2 4.33Å; W356-L360 HydrophobicContact CZ2-CD1 4.1Å; W356-L360 HydrophobicContact CZ2-CD2 4.03Å; W356-L360 HydrophobicContact CZ2-CG 4.24Å; W356-L360 WeakPolarHBondContact O-CG 3.04Å; W356-L360 PolarHBondContact O-N 3.18Å; L360-F363 CarbonylContact O-C 3.51Å; L360-P364 WeakPolarHBondContact O-CA 3.26Å; L360-L366 HydrophobicContact CD2-CD2 4.26Å; L360-T367 HydrophobicContact CD2-CG2 3.62Å
361	K	90.1	Very high	91.4	Very high	166 Å²	166	65.2 Å²	65.2	72%	0.722	35%	0.351	S	S	*	.	H	α-helix	trans	-69.9	-43.1	175.1	-173	175.6	-178.7	175.9	0	112	E357 K358 L359	E357-K361 VanDerWaalsContact O-CB 3.32Å; E357-K361 WeakPolarHBondContact O-CB 3.38Å; E357-K361 PolarHBondContact O-N 3.39Å; K358-K361 PolarHBondContact O-N 2.67Å; L359-K361 VanDerWaalsContact C-N 3.29Å; L359-K361 PolarHBondContact O-N 3.21Å
362	A	93.8	Very high	91.2	Very high	66 Å²	66	65.4 Å²	65.4	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-73.7	-37	-179.9	0	0	0	0	0	112.5	K358 L359 P364	K358-A362 WeakPolarHBondContact O-CB 3.28Å; K358-A362 PolarHBondContact O-N 2.71Å; L359-A362 PolarHBondContact O-N 2.84Å; A362-P364 VanDerWaalsContact C-CD 3.47Å; A362-P364 WeakPolarHBondContact O-CD 3.41Å
363	F	91.7	Very high	91.2	Very high	105 Å²	105	66.1 Å²	66.1	46%	0.461	35%	0.348	S	S	.	.			trans	-124.6	68.6	-175.9	-55.8	-81.4	0	0	0	111	L359 L360 H365 L366	L359-F363 HydrophobicContact CD1-CD2 3.73Å; L359-F363 HydrophobicContact CD1-CE2 4.14Å; L359-F363 HydrophobicContact CG-CD2 4.47Å; L359-F363 PolarHBondContact O-N 3.16Å; L360-F363 CarbonylContact O-C 3.51Å; F363-H365 AromaticContact CD1-CE1 3.82Å; F363-H365 PolarHBondContact O-N 2.77Å; F363-L366 HydrophobicContact CB-CB 4.44Å; F363-L366 WeakPolarHBondContact O-CB 3.35Å; F363-L366 PolarHBondContact O-N 2.91Å
364	P	86.3	Confident	91.2	Very high	46 Å²	46	65.1 Å²	65.1	30%	0.299	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-62.3	-22.6	-175.8	24.4	-34.7	0	0	0	113.6	L360 A362 L366 T367	L360-P364 WeakPolarHBondContact O-CA 3.26Å; A362-P364 VanDerWaalsContact C-CD 3.47Å; A362-P364 WeakPolarHBondContact O-CD 3.41Å; P364-L366 PolarHBondContact O-N 3.3Å; P364-T367 PolarHBondContact O-OG1 2.98Å
365	H	87.1	Confident	91.2	Very high	92 Å²	92	67.5 Å²	67.5	43%	0.426	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-72.4	-14.3	175.9	64.1	-91.2	0	0	0	113.5	F363 T367 S368 L369	F363-H365 AromaticContact CD1-CE1 3.82Å; F363-H365 PolarHBondContact O-N 2.77Å; H365-T367 PolarHBondContact O-N 3.38Å; H365-S368 PolarHBondContact O-N 2.7Å; H365-S368 PolarHBondContact O-OG 3.33Å; H365-L369 PolarHBondContact O-N 3.42Å
366	L	89.3	Confident	91.2	Very high	8 Å²	8	69.2 Å²	69.2	4%	0.042	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-52.3	-39.6	175	-170.7	71.3	0	0	0	110.5	W356 L359 L360 F363 P364 S368 L369 L374 L377 L379	W356-L366 HydrophobicContact CH2-CD2 4.19Å; W356-L366 HydrophobicContact CZ3-CD2 4.11Å; L359-L366 HydrophobicContact CD2-CD2 3.57Å; L359-L366 HydrophobicContact CG-CD2 3.94Å; L360-L366 HydrophobicContact CD2-CD2 4.26Å; F363-L366 HydrophobicContact CB-CB 4.44Å; F363-L366 WeakPolarHBondContact O-CB 3.35Å; F363-L366 PolarHBondContact O-N 2.91Å; P364-L366 PolarHBondContact O-N 3.3Å; L366-S368 PolarHBondContact O-N 3.37Å; L366-S368 VanDerWaalsContact O-N 3.09Å; L366-L369 HydrophobicContact CD1-CD1 4.21Å; L366-L369 PolarHBondContact O-N 3.33Å; L366-L374 HydrophobicContact CD1-CD2 3.56Å; L366-L374 HydrophobicContact CG-CD2 3.89Å; L366-L374 WeakPolarHBondContact O-CD2 3.38Å; L366-L377 HydrophobicContact CD1-CD1 3.73Å; L366-L379 HydrophobicContact CD1-CD1 4.14Å; L366-L379 HydrophobicContact CD2-CD1 4.16Å; L366-L379 HydrophobicContact CG-CD1 4.38Å
367	T	87.6	Confident	91.2	Very high	34 Å²	34	73.5 Å²	73.5	21%	0.209	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-68.1	-8.5	179.2	62.1	0	0	0	0	115.7	A83 T84 L360 P364 H365 V387	A83-T367 HydrophobicContact CB-CG2 4.18Å; A83-T367 WeakPolarHBondContact O-CG2 3.47Å; T84-T367 HydrophobicContact CG2-CG2 4.02Å; L360-T367 HydrophobicContact CD2-CG2 3.62Å; P364-T367 PolarHBondContact O-OG1 2.98Å; H365-T367 PolarHBondContact O-N 3.38Å; T367-V387 HydrophobicContact CG2-CG1 4.48Å
368	S	86.1	Confident	91.2	Very high	72 Å²	72	74.3 Å²	74.3	50%	0.503	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-110.4	-2.7	178.5	59.1	0	0	0	0	113.5	H365 L366	H365-S368 PolarHBondContact O-N 2.7Å; H365-S368 PolarHBondContact O-OG 3.33Å; L366-S368 PolarHBondContact O-N 3.37Å; L366-S368 VanDerWaalsContact O-N 3.09Å
369	L	89.8	Confident	91.2	Very high	41 Å²	41	69.9 Å²	69.9	22%	0.215	38%	0.38	C	S	.	.	S	Bend	trans	-75.4	143.4	180	-66.7	-178.3	0	0	0	110.9	H365 L366 H373 L374 L377	H365-L369 PolarHBondContact O-N 3.42Å; L366-L369 HydrophobicContact CD1-CD1 4.21Å; L366-L369 PolarHBondContact O-N 3.33Å; L369-H373 HydrophobicContact CB-CB 4.24Å; L369-H373 HydrophobicContact CD1-CB 4.5Å; L369-L374 HydrophobicContact CB-CD2 3.86Å; L369-L374 HydrophobicContact CB-CG 4.19Å; L369-L374 HydrophobicContact CD1-CD2 4.26Å; L369-L377 HydrophobicContact CD1-CD1 3.71Å
370	P	89.9	Confident	91.2	Very high	78 Å²	78	71 Å²	71	51%	0.506	39%	0.39	S	S	.	.			trans	-57.6	147.5	169.4	-22.6	33	0	0	0	111.6	F372 H373 L374	P370-F372 PolarHBondContact O-N 2.82Å; P370-F372 VanDerWaalsContact O-N 3.11Å; P370-H373 WeakPolarHBondContact O-CB 3.24Å; P370-H373 PolarHBondContact O-N 3.47Å; P370-L374 PolarHBondContact O-N 3.02Å
371	T	90.3	Very high	91.2	Very high	60 Å²	60	76.4 Å²	76.4	37%	0.368	42%	0.415	S	S	.	.	H	α-helix	trans	-48.6	-42.8	-179.2	-46.3	0	0	0	0	113.3	H373 L374 Y375 V384 N388	T371-H373 VanDerWaalsContact C-N 3.32Å; T371-H373 PolarHBondContact O-N 2.78Å; T371-L374 WeakPolarHBondContact O-CB 3.08Å; T371-L374 PolarHBondContact O-N 2.92Å; T371-L374 VanDerWaalsContact O-N 3.15Å; T371-Y375 HydrophobicContact CG2-CD2 3.99Å; T371-Y375 HydrophobicContact CG2-CE2 3.47Å; T371-Y375 VanDerWaalsContact CG2-CE2 3.47Å; T371-Y375 WeakPolarHBondContact O-CD2 2.97Å; T371-Y375 PolarHBondContact O-N 3.09Å; T371-Y375 VanDerWaalsContact O-N 3.09Å; T371-V384 HydrophobicContact CG2-CG1 3.57Å; T371-N388 PolarHBondContact OG1-ND2 3.37Å; T371-N388 VanDerWaalsContact OG1-ND2 3.16Å
372	F	92.5	Very high	91.2	Very high	138 Å²	138	73.1 Å²	73.1	61%	0.605	40%	0.402	S	S	*	.	H	α-helix	trans	-60.7	-38.4	178.1	176	-109.5	0	0	0	113	P370 Y375 N376	P370-F372 PolarHBondContact O-N 2.82Å; P370-F372 VanDerWaalsContact O-N 3.11Å; F372-Y375 PolarHBondContact O-N 3.14Å; F372-N376 WeakPolarHBondContact CE1-ND2 3.31Å; F372-N376 WeakPolarHBondContact CZ-ND2 3.29Å; F372-N376 VanDerWaalsContact O-CG 3.27Å; F372-N376 PolarHBondContact O-N 2.94Å; F372-N376 PolarHBondContact O-ND2 3.12Å
373	H	93.4	Very high	91.1	Very high	91 Å²	91	70.8 Å²	70.8	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-69.1	-36.1	176.1	-69.3	-178.7	0	0	0	111.7	L369 P370 T371 Y375 N376 L377	L369-H373 HydrophobicContact CB-CB 4.24Å; L369-H373 HydrophobicContact CD1-CB 4.5Å; P370-H373 WeakPolarHBondContact O-CB 3.24Å; P370-H373 PolarHBondContact O-N 3.47Å; T371-H373 VanDerWaalsContact C-N 3.32Å; T371-H373 PolarHBondContact O-N 2.78Å; H373-Y375 VanDerWaalsContact C-N 3.34Å; H373-Y375 PolarHBondContact O-N 3.37Å; H373-N376 PolarHBondContact O-N 3.01Å; H373-L377 WeakPolarHBondContact O-CG 3.48Å; H373-L377 PolarHBondContact O-N 3.15Å
374	L	93.2	Very high	91.2	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-41.6	175.8	-62.5	176.8	0	0	0	111.7	L366 L369 P370 T371 L377 L379 V384 V387	L366-L374 HydrophobicContact CD1-CD2 3.56Å; L366-L374 HydrophobicContact CG-CD2 3.89Å; L366-L374 WeakPolarHBondContact O-CD2 3.38Å; L369-L374 HydrophobicContact CB-CD2 3.86Å; L369-L374 HydrophobicContact CB-CG 4.19Å; L369-L374 HydrophobicContact CD1-CD2 4.26Å; P370-L374 PolarHBondContact O-N 3.02Å; T371-L374 WeakPolarHBondContact O-CB 3.08Å; T371-L374 PolarHBondContact O-N 2.92Å; T371-L374 VanDerWaalsContact O-N 3.15Å; L374-L377 WeakPolarHBondContact O-CB 3.46Å; L374-L377 PolarHBondContact O-N 3.08Å; L374-L379 HydrophobicContact CB-CD1 4.18Å; L374-L379 HydrophobicContact CD2-CD1 3.97Å; L374-L379 WeakPolarHBondContact O-CB 3.41Å; L374-L379 PolarHBondContact O-N 3.42Å; L374-V384 HydrophobicContact CB-CG2 3.83Å; L374-V384 HydrophobicContact CD1-CG1 4.31Å; L374-V384 HydrophobicContact CD1-CG2 4.46Å; L374-V387 HydrophobicContact CD1-CB 4.3Å; L374-V387 HydrophobicContact CD1-CG1 4.1Å
375	Y	94.2	Very high	91.3	Very high	96 Å²	96	67.9 Å²	67.9	38%	0.376	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-39.7	173.6	-71.7	-52.8	0	0	0	112.7	T371 F372 H373 L377 G378 L379 E381 V384	T371-Y375 HydrophobicContact CG2-CD2 3.99Å; T371-Y375 HydrophobicContact CG2-CE2 3.47Å; T371-Y375 VanDerWaalsContact CG2-CE2 3.47Å; T371-Y375 WeakPolarHBondContact O-CD2 2.97Å; T371-Y375 PolarHBondContact O-N 3.09Å; T371-Y375 VanDerWaalsContact O-N 3.09Å; F372-Y375 PolarHBondContact O-N 3.14Å; H373-Y375 VanDerWaalsContact C-N 3.34Å; H373-Y375 PolarHBondContact O-N 3.37Å; Y375-L377 PolarHBondContact O-N 3.49Å; Y375-G378 WeakPolarHBondContact O-CA 3.36Å; Y375-G378 PolarHBondContact O-N 3.27Å; Y375-L379 WeakPolarHBondContact CD1-O 3.48Å; Y375-E381 HydrophobicContact CE1-CB 4.46Å; Y375-V384 HydrophobicContact CD1-CG2 3.99Å; Y375-V384 HydrophobicContact CE1-CB 4.18Å; Y375-V384 HydrophobicContact CE1-CG1 4.38Å; Y375-V384 HydrophobicContact CE1-CG2 3.71Å; Y375-V384 HydrophobicContact CE2-CG1 4.36Å
376	N	94.9	Very high	91.4	Very high	105 Å²	105	64.3 Å²	64.3	56%	0.561	35%	0.35	S	S	*	.	H	α-helix	trans	-65.3	-23.9	175.8	-69.3	-18.3	0	0	0	113.1	F372 H373 G378	F372-N376 WeakPolarHBondContact CE1-ND2 3.31Å; F372-N376 WeakPolarHBondContact CZ-ND2 3.29Å; F372-N376 VanDerWaalsContact O-CG 3.27Å; F372-N376 PolarHBondContact O-N 2.94Å; F372-N376 PolarHBondContact O-ND2 3.12Å; H373-N376 PolarHBondContact O-N 3.01Å; N376-G378 PolarHBondContact O-N 3.23Å
377	L	93.1	Very high	91.3	Very high	110 Å²	110	64 Å²	64	58%	0.576	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-2	170.6	-68.3	171.3	0	0	0	113	L366 L369 H373 L374 Y375	L366-L377 HydrophobicContact CD1-CD1 3.73Å; L369-L377 HydrophobicContact CD1-CD1 3.71Å; H373-L377 WeakPolarHBondContact O-CG 3.48Å; H373-L377 PolarHBondContact O-N 3.15Å; L374-L377 WeakPolarHBondContact O-CB 3.46Å; L374-L377 PolarHBondContact O-N 3.08Å; Y375-L377 PolarHBondContact O-N 3.49Å
378	G	93.6	Very high	90.8	Very high	63 Å²	63	64.4 Å²	64.4	65%	0.649	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	15.4	178.9	0	0	0	0	0	114.5	Y375 N376	Y375-G378 WeakPolarHBondContact O-CA 3.36Å; Y375-G378 PolarHBondContact O-N 3.27Å; N376-G378 PolarHBondContact O-N 3.23Å
379	L	93.2	Very high	89.4	Confident	24 Å²	24	62.4 Å²	62.4	13%	0.126	34%	0.336	C	S	.	.			trans	-70.4	139.9	173.9	-62.5	-173.9	0	0	0	110.9	W356 L359 L366 L374 Y375 L383 V384	W356-L379 HydrophobicContact CH2-CD1 4.33Å; W356-L379 HydrophobicContact CZ3-CD1 4.19Å; W356-L379 HydrophobicContact CZ3-CD2 4.24Å; L359-L379 HydrophobicContact CD2-CD2 4.22Å; L366-L379 HydrophobicContact CD1-CD1 4.14Å; L366-L379 HydrophobicContact CD2-CD1 4.16Å; L366-L379 HydrophobicContact CG-CD1 4.38Å; L374-L379 HydrophobicContact CB-CD1 4.18Å; L374-L379 HydrophobicContact CD2-CD1 3.97Å; L374-L379 WeakPolarHBondContact O-CB 3.41Å; L374-L379 PolarHBondContact O-N 3.42Å; Y375-L379 WeakPolarHBondContact CD1-O 3.48Å; L379-L383 HydrophobicContact CB-CB 4.44Å; L379-L383 HydrophobicContact CD2-CD1 4.14Å; L379-V384 HydrophobicContact CB-CG2 3.85Å
380	T	93.6	Very high	87.6	Confident	78 Å²	78	62.4 Å²	62.4	48%	0.479	34%	0.337	S	S	.	.			trans	-71.4	158.2	174.1	60.3	0	0	0	0	111	E382 L383 V384	T380-E382 PolarHBondContact O-N 3.26Å; T380-L383 PolarHBondContact O-N 3.13Å; T380-L383 VanDerWaalsContact O-N 3.09Å; T380-L383 PolarHBondContact OG1-N 2.63Å; T380-V384 VanDerWaalsContact O-CG2 3.31Å; T380-V384 WeakPolarHBondContact O-CG2 3.39Å; T380-V384 PolarHBondContact O-N 2.89Å
381	E	92.1	Very high	85.3	Confident	132 Å²	132	66.5 Å²	66.5	62%	0.617	34%	0.342	S	S	*	.	H	α-helix	trans	-52	-42.3	174.6	-176.3	171.7	-155.3	0	0	112	Y375 L383 V384 D385	Y375-E381 HydrophobicContact CE1-CB 4.46Å; E381-L383 PolarHBondContact O-N 2.96Å; E381-V384 WeakPolarHBondContact O-CB 3.34Å; E381-V384 PolarHBondContact O-N 3.08Å; E381-D385 PolarHBondContact O-N 3.42Å
382	E	90.1	Very high	82.6	Confident	97 Å²	97	70.2 Å²	70.2	45%	0.453	36%	0.358	S	S	.	.	H	α-helix	trans	-58.3	-45	177.1	-170.2	-166.9	157.4	0	0	112.9	T380 D385 R386	T380-E382 PolarHBondContact O-N 3.26Å; E382-D385 PolarHBondContact O-N 3.36Å; E382-R386 WeakPolarHBondContact O-CG 3.32Å; E382-R386 PolarHBondContact O-N 3.42Å; E382-R386 IonicContact OE1-CZ 3.65Å; E382-R386 IonicContact OE1-NE 3.59Å; E382-R386 IonicContact OE1-NH2 3.52Å; E382-R386 PolarHBondContact OE1-NH2 3.24Å
383	L	92.2	Very high	79.7	Confident	17 Å²	17	68.5 Å²	68.5	9%	0.089	36%	0.361	C	S	.	.	H	α-helix	trans	-72.3	-34.3	179.1	-69	-179.5	0	0	0	111.9	L352 W356 L379 T380 E381 D385 R386 V387	L352-L383 HydrophobicContact CD1-CD1 4.23Å; L352-L383 HydrophobicContact CD1-CD2 4.2Å; W356-L383 HydrophobicContact CD2-CD2 3.84Å; W356-L383 HydrophobicContact CE3-CB 4.48Å; W356-L383 HydrophobicContact CE3-CD1 4.11Å; W356-L383 HydrophobicContact CE3-CD2 3.77Å; W356-L383 HydrophobicContact CE3-CG 4.35Å; W356-L383 HydrophobicContact CG-CD2 4.3Å; W356-L383 HydrophobicContact CH2-CB 4.09Å; W356-L383 HydrophobicContact CZ3-CB 3.98Å; W356-L383 HydrophobicContact CZ3-CD1 4.14Å; W356-L383 HydrophobicContact CZ3-CD2 4.12Å; W356-L383 HydrophobicContact CZ3-CG 4.31Å; L379-L383 HydrophobicContact CB-CB 4.44Å; L379-L383 HydrophobicContact CD2-CD1 4.14Å; T380-L383 PolarHBondContact O-N 3.13Å; T380-L383 VanDerWaalsContact O-N 3.09Å; T380-L383 PolarHBondContact OG1-N 2.63Å; E381-L383 PolarHBondContact O-N 2.96Å; L383-D385 VanDerWaalsContact C-N 3.34Å; L383-R386 PolarHBondContact O-N 2.81Å; L383-V387 PolarHBondContact O-N 2.97Å
384	V	91.9	Very high	76.6	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.006	38%	0.376	C	S	.	.	H	α-helix	trans	-63.9	-41.8	174.4	171.1	0	0	0	0	110.6	T371 L374 Y375 L379 T380 E381 R386 V387 N388	T371-V384 HydrophobicContact CG2-CG1 3.57Å; L374-V384 HydrophobicContact CB-CG2 3.83Å; L374-V384 HydrophobicContact CD1-CG1 4.31Å; L374-V384 HydrophobicContact CD1-CG2 4.46Å; Y375-V384 HydrophobicContact CD1-CG2 3.99Å; Y375-V384 HydrophobicContact CE1-CB 4.18Å; Y375-V384 HydrophobicContact CE1-CG1 4.38Å; Y375-V384 HydrophobicContact CE1-CG2 3.71Å; Y375-V384 HydrophobicContact CE2-CG1 4.36Å; L379-V384 HydrophobicContact CB-CG2 3.85Å; T380-V384 VanDerWaalsContact O-CG2 3.31Å; T380-V384 WeakPolarHBondContact O-CG2 3.39Å; T380-V384 PolarHBondContact O-N 2.89Å; E381-V384 WeakPolarHBondContact O-CB 3.34Å; E381-V384 PolarHBondContact O-N 3.08Å; V384-R386 VanDerWaalsContact C-N 3.33Å; V384-R386 PolarHBondContact O-N 2.94Å; V384-V387 PolarHBondContact O-N 2.92Å; V384-V387 VanDerWaalsContact O-N 3.09Å; V384-N388 WeakPolarHBondContact CG1-ND2 3.38Å; V384-N388 WeakPolarHBondContact O-CB 3.5Å; V384-N388 PolarHBondContact O-N 3.03Å; V384-N388 PolarHBondContact O-ND2 3.36Å
385	D	88.7	Confident	73.5	Confident	88 Å²	88	77 Å²	77	47%	0.471	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-39.5	175.7	-79.4	-13.9	0	0	0	111.9	E381 E382 L383 V387 N388 A389	E381-D385 PolarHBondContact O-N 3.42Å; E382-D385 PolarHBondContact O-N 3.36Å; L383-D385 VanDerWaalsContact C-N 3.34Å; D385-V387 PolarHBondContact O-N 3.19Å; D385-V387 VanDerWaalsContact O-N 3.1Å; D385-N388 PolarHBondContact O-N 3.24Å; D385-N388 VanDerWaalsContact O-N 3.16Å; D385-A389 WeakPolarHBondContact O-CB 3.21Å; D385-A389 PolarHBondContact O-N 3.04Å
386	R	90.2	Very high	70.5	Confident	18 Å²	18	79 Å²	79	7%	0.068	43%	0.43	C	S	.	.	H	α-helix	trans	-62.8	-15.9	174.9	-69.1	174.6	-174.7	-147	6	114	T48 H81 A83 E353 W356 E382 L383 V384	T48-R386 WeakPolarHBondContact CG2-O 3.42Å; H81-R386 PolarHBondContact CE1-O 2.71Å; H81-R386 PolarHBondContact NE2-O 2.83Å; A83-R386 WeakPolarHBondContact CB-O 3.32Å; E353-R386 VanDerWaalsContact CD-NH1 3.31Å; E353-R386 IonicContact OE1-CZ 3.57Å; E353-R386 IonicContact OE1-NH1 3.14Å; E353-R386 PolarHBondContact OE1-NH1 2.79Å; E353-R386 IonicContact OE1-NH2 2.81Å; E353-R386 PolarHBondContact OE1-NH2 2.93Å; E353-R386 VanDerWaalsContact OE1-NH2 3.14Å; E353-R386 IonicContact OE2-NH1 3.38Å; E353-R386 PolarHBondContact OE2-NH1 2.86Å; E353-R386 VanDerWaalsContact OE2-NH1 3.14Å; W356-R386 HydrophobicContact CZ2-CB 4.24Å; E382-R386 WeakPolarHBondContact O-CG 3.32Å; E382-R386 PolarHBondContact O-N 3.42Å; E382-R386 IonicContact OE1-CZ 3.65Å; E382-R386 IonicContact OE1-NE 3.59Å; E382-R386 IonicContact OE1-NH2 3.52Å; E382-R386 PolarHBondContact OE1-NH2 3.24Å; L383-R386 PolarHBondContact O-N 2.81Å; V384-R386 VanDerWaalsContact C-N 3.33Å; V384-R386 PolarHBondContact O-N 2.94Å
387	V	87.5	Confident	67.5	Low	2 Å²	2	79.1 Å²	79.1	1%	0.012	44%	0.439	C	S	.	.	H	α-helix	trans	-95.8	-42.4	172.1	175.1	0	0	0	0	111.2	H81 W356 T367 L374 L383 V384 D385	H81-V387 PolarHBondContact CE1-O 2.93Å; H81-V387 PolarHBondContact NE2-O 3.11Å; W356-V387 HydrophobicContact CH2-CG2 3.6Å; W356-V387 HydrophobicContact CZ2-CG2 3.62Å; T367-V387 HydrophobicContact CG2-CG1 4.48Å; L374-V387 HydrophobicContact CD1-CB 4.3Å; L374-V387 HydrophobicContact CD1-CG1 4.1Å; L383-V387 PolarHBondContact O-N 2.97Å; V384-V387 PolarHBondContact O-N 2.92Å; V384-V387 VanDerWaalsContact O-N 3.09Å; D385-V387 PolarHBondContact O-N 3.19Å; D385-V387 VanDerWaalsContact O-N 3.1Å
388	N	76.1	Confident	64.4	Low	41 Å²	41	77.6 Å²	77.6	22%	0.219	45%	0.449	C	S	.	.	H	α-helix	trans	-95	-3.5	-165.9	-74.3	-32	0	0	0	115	T371 V384 D385 N390 W391	T371-N388 PolarHBondContact OG1-ND2 3.37Å; T371-N388 VanDerWaalsContact OG1-ND2 3.16Å; V384-N388 WeakPolarHBondContact CG1-ND2 3.38Å; V384-N388 WeakPolarHBondContact O-CB 3.5Å; V384-N388 PolarHBondContact O-N 3.03Å; V384-N388 PolarHBondContact O-ND2 3.36Å; D385-N388 PolarHBondContact O-N 3.24Å; D385-N388 VanDerWaalsContact O-N 3.16Å; N388-N390 WeakPolarHBondContact O-CA 3.42Å; N388-N390 PolarHBondContact O-N 2.93Å; N388-W391 PolarHBondContact O-N 3.21Å
389	A	57.4	Low	61.3	Low	30 Å²	30	80.1 Å²	80.1	25%	0.248	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	36.9	-175.3	0	0	0	0	0	115.2	T48 R79 D385	T48-A389 HydrophobicContact CG2-CB 3.75Å; R79-A389 PolarHBondContact NH1-O 3.39Å; D385-A389 WeakPolarHBondContact O-CB 3.21Å; D385-A389 PolarHBondContact O-N 3.04Å
390	N	51.4	Low	58.4	Low	42 Å²	42	85.2 Å²	85.2	23%	0.225	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn		178.6	65.2	128.5	-78.6	-44.4	0	0	0	111.4	R79 N388	R79-N390 PolarHBondContact NH1-ND2 3.37Å; N388-N390 WeakPolarHBondContact O-CA 3.42Å; N388-N390 PolarHBondContact O-N 2.93Å
391	W	42	Very low	55.3	Low	163 Å²	163	84.6 Å²	84.6	62%	0.617	50%	0.504	S	S	*	.			trans	-128.5	69.5	169.1	-75.1	94.7	0	0	0	112.1	N388	N388-W391 PolarHBondContact O-N 3.21Å
392	I	34	Very low	52.4	Low	138 Å²	138	85.5 Å²	85.5	71%	0.708	52%	0.519	S	S	*	.			trans	-137.9	103.4	153.8	-48.5	177.4	0	0	0	108.2	L394	I392-L394 HydrophobicContact CG2-CD2 4.4Å; I392-L394 HydrophobicContact CG2-CG 4Å; I392-L394 PolarHBondContact O-N 3Å
393	P	30.1	Very low	49.5	Very low	103 Å²	103	88.6 Å²	88.6	67%	0.669	54%	0.537	S	S	*	.			trans	-69.5	105.1	148.9	20.2	-8.8	0	0	0	105.7	T395	P393-T395 PolarHBondContact O-N 2.98Å
394	L	29.5	Very low	46.3	Very low	139 Å²	139	91.7 Å²	91.7	73%	0.728	57%	0.565	S	S	*	*			trans	-67.6	89.8	163.7	-86.4	164.1	0	0	0	106.4	I392 I396	I392-L394 HydrophobicContact CG2-CD2 4.4Å; I392-L394 HydrophobicContact CG2-CG 4Å; I392-L394 PolarHBondContact O-N 3Å; L394-I396 HydrophobicContact CB-CG1 4.31Å; L394-I396 PolarHBondContact O-N 3.34Å
395	T	28.4	Very low	43.2	Very low	130 Å²	130	99.7 Å²	99.7	80%	0.798	61%	0.608	S	S	*	*			trans	-69.4	88.5	156.8	41.8	0	0	0	0	106.6	P393 S397	P393-T395 PolarHBondContact O-N 2.98Å; T395-S397 PolarHBondContact O-N 2.8Å
396	I	30.9	Very low	40.2	Very low	137 Å²	137	101.2 Å²	101.2	70%	0.703	62%	0.62	S	S	*	*			trans	-77.8	102.9	162.3	-63.2	174.9	0	0	0	105.6	L394	L394-I396 HydrophobicContact CB-CG1 4.31Å; L394-I396 PolarHBondContact O-N 3.34Å
397	S	30.6	Very low	37.2	Very low	109 Å²	109	107.4 Å²	107.4	76%	0.762	66%	0.66	S	S	*	*			trans	-57	137.3	161.1	44.4	0	0	0	0	109.1	T395	T395-S397 PolarHBondContact O-N 2.8Å
398	G	29.2	Very low	34.1	Very low	77 Å²	77	113.2 Å²	113.2	79%	0.794	70%	0.696	S	S	*	*			trans	-61.1	148.8	-162.2	0	0	0	0	0	116.1
399	S	27.1	Very low	31.7	Very low	117 Å²	117	116.3 Å²	116.3	82%	0.818	72%	0.718	S	S	*	*			trans	-154.7	131.7	131.7	47.1	0	0	0	0	108.4	G401	S399-G401 PolarHBondContact O-N 2.83Å
400	S	34.2	Very low	30.1	Very low	130 Å²	130	122.5 Å²	122.5	91%	0.909	74%	0.744	S	S	*	*			trans	-58.6	124.2	176.9	45.8	0	0	0	0	111.4
401	G	26.9	Very low	28.8	Very low	65 Å²	65	130.2 Å²	130.2	67%	0.67	78%	0.775	S	S	*	*			trans	-160.7	104.9	172.2	0	0	0	0	0	111.3	S399 I403	S399-G401 PolarHBondContact O-N 2.83Å; G401-I403 PolarHBondContact O-N 2.89Å
402	T	31.4	Very low	28.1	Very low	152 Å²	152	130.9 Å²	130.9	93%	0.933	78%	0.778	S	S	*	*			trans	-58	120.9	173.9	-34.4	0	0	0	0	110.2
403	I	29.4	Very low	27.6	Very low	161 Å²	161	130.2 Å²	130.2	83%	0.826	79%	0.785	S	S	*	*			trans	-134.3	129	168.1	-57.4	-178.1	0	0	0	110.6	G401	G401-I403 PolarHBondContact O-N 2.89Å
404	A	25.3	Very low	27.2	Very low	82 Å²	82	136.8 Å²	136.8	68%	0.678	80%	0.796	S	S	*	*			trans	-68.2	158.7	-172.7	0	0	0	0	0	114.6	T406	A404-T406 PolarHBondContact O-N 2.79Å; A404-T406 VanDerWaalsContact O-N 3.16Å
405	N	27.6	Very low	27	Very low	170 Å²	170	139.3 Å²	139.3	91%	0.909	80%	0.804	S	S	*	*			trans	-53.6	111.2	168.9	-76.8	-31.4	0	0	0	111.7
406	T	24.6	Very low	26.9	Very low	120 Å²	120	139.5 Å²	139.5	74%	0.736	81%	0.806	S	S	*	*			trans	-132.5	114.1	158	44.9	0	0	0	0	109.5	A404	A404-T406 PolarHBondContact O-N 2.79Å; A404-T406 VanDerWaalsContact O-N 3.16Å
407	V	26.9	Very low	26.5	Very low	148 Å²	148	144.5 Å²	144.5	90%	0.897	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-72.7	117.7	169.3	173.8	0	0	0	0	108
408	T	24.1	Very low	26.5	Very low	124 Å²	124	145.3 Å²	145.3	76%	0.761	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-98.2	130.1	174	-28.1	0	0	0	0	109.7
409	P	23.9	Very low	26.7	Very low	105 Å²	105	153.2 Å²	153.2	68%	0.682	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-75.1	146.6	-177.8	28.4	-32.4	0	0	0	112.6	K411	P409-K411 PolarHBondContact O-N 2.86Å
410	M	24.1	Very low	26.7	Very low	161 Å²	161	155.1 Å²	155.1	79%	0.793	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-56.8	121.2	171.4	-72.3	-178.4	-167.3	0	0	110.5
411	K	24.2	Very low	26.3	Very low	203 Å²	203	156.4 Å²	156.4	88%	0.883	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-99.5	122.2	166.1	-77.8	-175	176.4	179.9	0	109.1	P409	P409-K411 PolarHBondContact O-N 2.86Å
412	Y	28.7	Very low	26.2	Very low	177 Å²	177	161.4 Å²	161.4	69%	0.694	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-77.5	138.9	174.3	-79	-93.5	0	0	0	111.3
413	C	22	Very low	25.9	Very low	125 Å²	125	162 Å²	162	85%	0.845	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-70.8	124.1	165.3	-133.8	0	0	0	0	108.4
414	R	23.1	Very low	25.7	Very low	240 Å²	240	162.1 Å²	162.1	91%	0.906	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-85.7	119	171.6	-78	-179.2	174.8	-179.1	-2	108.3
415	E	24.9	Very low	25.8	Very low	192 Å²	192	167.4 Å²	167.4	90%	0.897	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-84.5	142.4	165.1	-77.9	-177.3	169.4	0	0	111.3
416	T	25.9	Very low	25.6	Very low	134 Å²	134	167.2 Å²	167.2	82%	0.822	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-72.8	139	-175	43	0	0	0	0	112.6
417	R	22.9	Very low	25.7	Very low	242 Å²	242	170.8 Å²	170.8	91%	0.913	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-76.3	145.5	167.9	-63.8	-179	-175.8	-175	-0.3	110.7
418	P	29.5	Very low	25.6	Very low	126 Å²	126	172.8 Å²	172.8	82%	0.818	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-91.6	157.6	154.5	4.9	15.4	0	0	0	111.4
419	I	34.1	Very low	25.7	Very low	244 Å²	244	177.2 Å²	177.2	100%	1.251	86%	0.864	S	S	*	*			trans	-67.1	0	-171.8	-64.5	161.3	0	0	0	112.7

Retrieved 419 of 419 residues in 934.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).