A0A077Z4I9_TRITR Loading...

WD repeat containing protein 20

AlphaFold DB , UniProt , Accession A0A077Z4I9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 626 aa.

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(Predicted Aligned Error values between residue pairs)

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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	36	Very low	33.5	Very low	244 Å²	244	137.6 Å²	137.6	100%	1.202	85%	0.849	S	S	*	*				0	130.3	0	-77.4	-175.3	169.1	0	0	107
2	A	36.9	Very low	33.5	Very low	107 Å²	107	134.6 Å²	134.6	88%	0.884	84%	0.837	S	S	*	*			trans	-61.9	133.9	-145.1	0	0	0	0	0	116.7
3	S	32.4	Very low	33.5	Very low	110 Å²	110	132 Å²	132	77%	0.769	83%	0.827	S	S	*	*			trans	-94.7	137.3	164.5	-56.4	0	0	0	0	109.6	N5	S3-N5 PolarHBondContact O-N 3.25Å
4	P	43.4	Very low	33.8	Very low	125 Å²	125	127.1 Å²	127.1	81%	0.812	80%	0.8	S	S	*	*			trans	-90.4	99.2	168	31.8	-24.5	0	0	0	109.6
5	N	31.4	Very low	34.1	Very low	150 Å²	150	121.9 Å²	121.9	80%	0.802	77%	0.77	S	S	*	*			trans	-81.6	117.6	148.6	-92.4	-11.3	0	0	0	105.8	S3	S3-N5 PolarHBondContact O-N 3.25Å
6	D	30.3	Very low	34.6	Very low	166 Å²	166	120.9 Å²	120.9	89%	0.888	76%	0.755	S	S	*	*			trans	173.1	74.8	150.5	-86.5	-21.3	0	0	0	109.3
7	T	35.2	Very low	35.3	Very low	143 Å²	143	117.4 Å²	117.4	88%	0.877	73%	0.73	S	S	*	*			trans	-102	112.4	158.8	40.3	0	0	0	0	108.2	N9	T7-N9 PolarHBondContact O-N 3.25Å
8	A	32.9	Very low	35.8	Very low	93 Å²	93	117.6 Å²	117.6	77%	0.769	75%	0.745	S	S	*	*			trans	-53.4	116.5	-174.5	0	0	0	0	0	113	V10	A8-V10 PolarHBondContact O-N 3.28Å
9	N	28	Very low	36.3	Very low	162 Å²	162	115.6 Å²	115.6	87%	0.866	74%	0.736	S	S	*	*			trans	-60.6	95.8	154.4	-98.2	-28.8	0	0	0	108.7	T7 A11	T7-N9 PolarHBondContact O-N 3.25Å; N9-A11 PolarHBondContact O-N 2.99Å
10	V	31	Very low	36.9	Very low	135 Å²	135	112.7 Å²	112.7	82%	0.818	73%	0.728	S	S	*	*			trans	-77.7	78	157.7	179.9	0	0	0	0	106.2	A8 S12	A8-V10 PolarHBondContact O-N 3.28Å; V10-S12 PolarHBondContact O-N 3.38Å
11	A	30.9	Very low	38	Very low	79 Å²	79	114.2 Å²	114.2	65%	0.653	72%	0.724	S	S	*	*			trans	-59.1	124.5	169.5	0	0	0	0	0	108.3	N9 S13	N9-A11 PolarHBondContact O-N 2.99Å; A11-S13 PolarHBondContact O-N 3.04Å
12	S	33.1	Very low	39.5	Very low	101 Å²	101	105.7 Å²	105.7	71%	0.706	68%	0.681	S	S	*	*			trans	-53.6	99.2	170	52.6	0	0	0	0	110	V10 S14	V10-S12 PolarHBondContact O-N 3.38Å; S12-S14 PolarHBondContact O-N 3.49Å
13	S	33.7	Very low	41.7	Very low	101 Å²	101	103.8 Å²	103.8	71%	0.706	66%	0.658	S	S	*	*			trans	-71.9	94	172.3	55.7	0	0	0	0	109.2	A11 S15	A11-S13 PolarHBondContact O-N 3.04Å; S13-S15 PolarHBondContact O-N 2.82Å; S13-S15 VanDerWaalsContact O-N 3.15Å
14	S	38.2	Very low	44.5	Very low	64 Å²	64	100.9 Å²	100.9	45%	0.448	63%	0.633	S	S	.	*			trans	-63	109.7	161.3	51.7	0	0	0	0	107.3	S12 I16	S12-S14 PolarHBondContact O-N 3.49Å; S14-I16 PolarHBondContact O-N 2.86Å
15	S	38.3	Very low	46.9	Very low	49 Å²	49	97.8 Å²	97.8	34%	0.343	61%	0.607	S	S	.	*			trans	-73.3	100.3	170	58.4	0	0	0	0	107.6	S13 V23 K25	S13-S15 PolarHBondContact O-N 2.82Å; S13-S15 VanDerWaalsContact O-N 3.15Å; S15-V23 PolarHBondContact O-N 3.28Å; S15-K25 WeakPolarHBondContact OG-CE 3.13Å; S15-K25 PolarHBondContact OG-NZ 2.75Å
16	I	41.4	Very low	49.8	Very low	105 Å²	105	93.9 Å²	93.9	54%	0.538	59%	0.591	S	S	.	*	B	Isolated β-bridge	trans	-84	127.5	174.5	-57.8	175.6	0	0	0	106.5	S14 G20	S14-I16 PolarHBondContact O-N 2.86Å; I16-G20 VanDerWaalsContact CG2-C 3.47Å
17	D	46.3	Very low	52.9	Low	61 Å²	61	90.6 Å²	90.6	33%	0.326	57%	0.571	S	S	.	*			trans	-68.9	169.1	171.6	69	18.3	0	0	0	111.2	S19 G20 K21 V23	D17-S19 VanDerWaalsContact CG-OG 3.22Å; D17-S19 PolarHBondContact O-N 2.9Å; D17-S19 VanDerWaalsContact OD1-C 3.31Å; D17-S19 VanDerWaalsContact OD1-CA 3.25Å; D17-S19 WeakPolarHBondContact OD1-CA 3.45Å; D17-S19 VanDerWaalsContact OD1-CB 3.32Å; D17-S19 WeakPolarHBondContact OD1-CB 3.46Å; D17-S19 PolarHBondContact OD1-N 2.87Å; D17-S19 PolarHBondContact OD1-OG 3.21Å; D17-S19 PolarHBondContact OD2-OG 3.36Å; D17-G20 PolarHBondContact O-N 2.85Å; D17-G20 PolarHBondContact OD1-N 2.64Å; D17-G20 VanDerWaalsContact OD1-N 3.1Å; D17-K21 PolarHBondContact N-O 3.03Å; D17-K21 PolarHBondContact OD1-N 3.45Å; D17-V23 HydrophobicContact CB-CG2 3.84Å
18	A	45.2	Very low	55.7	Low	122 Å²	122	84 Å²	84	100%	1.008	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-7.6	178.6	0	0	0	0	0	114
19	S	46.1	Very low	58.7	Low	80 Å²	80	84.9 Å²	84.9	56%	0.559	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	2	176.8	82.1	0	0	0	0	114.2	D17 K21	D17-S19 VanDerWaalsContact CG-OG 3.22Å; D17-S19 PolarHBondContact O-N 2.9Å; D17-S19 VanDerWaalsContact OD1-C 3.31Å; D17-S19 VanDerWaalsContact OD1-CA 3.25Å; D17-S19 WeakPolarHBondContact OD1-CA 3.45Å; D17-S19 VanDerWaalsContact OD1-CB 3.32Å; D17-S19 WeakPolarHBondContact OD1-CB 3.46Å; D17-S19 PolarHBondContact OD1-N 2.87Å; D17-S19 PolarHBondContact OD1-OG 3.21Å; D17-S19 PolarHBondContact OD2-OG 3.36Å; S19-K21 VanDerWaalsContact C-N 3.34Å
20	G	47.8	Very low	61.8	Low	57 Å²	57	77.8 Å²	77.8	59%	0.588	48%	0.483	S	S	*	.	S	Bend	trans	83.4	5.6	-178.8	0	0	0	0	0	114.3	I16 D17	I16-G20 VanDerWaalsContact CG2-C 3.47Å; D17-G20 PolarHBondContact O-N 2.85Å; D17-G20 PolarHBondContact OD1-N 2.64Å; D17-G20 VanDerWaalsContact OD1-N 3.1Å
21	K	59.2	Low	64.6	Low	145 Å²	145	77.7 Å²	77.7	63%	0.63	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-95.9	133.1	-177.5	-66.5	-179.3	-179.3	178.2	0	110.7	D17 S19 V23	D17-K21 PolarHBondContact N-O 3.03Å; D17-K21 PolarHBondContact OD1-N 3.45Å; S19-K21 VanDerWaalsContact C-N 3.34Å; K21-V23 PolarHBondContact O-N 3.08Å
22	E	67.3	Low	67.4	Low	64 Å²	64	77 Å²	77	30%	0.299	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-63.9	121.9	172.1	-74.9	-177.2	173.4	0	0	109.8	R333 K564	E22-R333 IonicContact OE1-CZ 2.73Å; E22-R333 IonicContact OE1-NH1 3.57Å; E22-R333 PolarHBondContact OE1-NH1 3.1Å; E22-R333 IonicContact OE1-NH2 3.49Å; E22-R333 IonicContact OE2-NH1 2.76Å; E22-K564 HydrophobicContact CB-CD 3.66Å; E22-K564 WeakPolarHBondContact O-CD 3.47Å
23	V	83.5	Confident	70.3	Confident	67 Å²	67	73.3 Å²	73.3	41%	0.406	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-75.6	133.4	-179.5	-178.5	0	0	0	0	110.6	S15 D17 K21 K25	S15-V23 PolarHBondContact O-N 3.28Å; D17-V23 HydrophobicContact CB-CG2 3.84Å; K21-V23 PolarHBondContact O-N 3.08Å; V23-K25 PolarHBondContact O-N 2.73Å
24	I	91.3	Very high	73.2	Confident	49 Å²	49	71.5 Å²	71.5	25%	0.251	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-61.3	128.5	172.6	-68.1	178.8	0	0	0	109.8	I565 A566 H567	I24-I565 WeakPolarHBondContact CG2-O 3.33Å; I24-A566 VanDerWaalsContact CD1-C 3.41Å; I24-H567 HydrophobicContact CD1-CB 4.33Å; I24-H567 WeakPolarHBondContact CD1-CD2 3.43Å; I24-H567 WeakPolarHBondContact CD1-CE1 3.4Å; I24-H567 VanDerWaalsContact CD1-CG 3.48Å; I24-H567 WeakPolarHBondContact CD1-ND1 3.45Å; I24-H567 VanDerWaalsContact CD1-NE2 3.27Å; I24-H567 WeakPolarHBondContact CD1-NE2 3.16Å
25	K	93.3	Very high	76	Confident	61 Å²	61	68.5 Å²	68.5	27%	0.265	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-84	138.5	179.1	-62.2	-67.8	175.8	179.5	0	110.1	S15 V23 K563 K564 W592	S15-K25 WeakPolarHBondContact OG-CE 3.13Å; S15-K25 PolarHBondContact OG-NZ 2.75Å; V23-K25 PolarHBondContact O-N 2.73Å; K25-K563 HydrophobicContact CB-CB 4.47Å; K25-K563 HydrophobicContact CG-CB 4.36Å; K25-K563 HydrophobicContact CG-CD 4.26Å; K25-K564 PolarHBondContact N-O 3.23Å; K25-W592 VanDerWaalsContact O-CH2 3.28Å; K25-W592 WeakPolarHBondContact O-CH2 3.47Å
26	S	92.9	Very high	78.7	Confident	68 Å²	68	71.3 Å²	71.3	48%	0.476	40%	0.399	S	S	.	.	S	Bend	trans	-105.6	-0.4	174.2	56.3	0	0	0	0	113.2	L37	S26-L37 WeakPolarHBondContact O-CB 3.5Å; S26-L37 PolarHBondContact O-N 2.79Å
27	Q	95	Very high	81.3	Confident	97 Å²	97	68.1 Å²	68.1	45%	0.453	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	156.2	175.2	61.5	-178.5	50	0	0	110.7	T34 Y35	Q27-T34 HydrophobicContact CB-CG2 4.28Å; Q27-Y35 WeakPolarHBondContact CA-O 3.36Å; Q27-Y35 VanDerWaalsContact CB-O 3.24Å; Q27-Y35 WeakPolarHBondContact CB-O 3.13Å
28	F	95.5	Very high	83.7	Confident	5 Å²	5	66.9 Å²	66.9	2%	0.022	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159.8	170.7	55.7	-93.9	0	0	0	110.1	T30 Y35 L419 L421 I561 K563 I580 W592	F28-T30 HydrophobicContact CD2-CG2 4.22Å; F28-T30 HydrophobicContact CE2-CG2 4.42Å; F28-Y35 HydrophobicContact CD2-CD2 4.13Å; F28-Y35 HydrophobicContact CD2-CG 4.06Å; F28-Y35 AromaticContact CE2-CD1 3.89Å; F28-Y35 HydrophobicContact CE2-CD1 3.89Å; F28-Y35 AromaticContact CE2-CD2 3.67Å; F28-Y35 HydrophobicContact CE2-CD2 3.67Å; F28-Y35 HydrophobicContact CE2-CE2 4.44Å; F28-Y35 AromaticContact CE2-CG 3.36Å; F28-Y35 HydrophobicContact CE2-CG 3.36Å; F28-Y35 VanDerWaalsContact CZ-CB 3.48Å; F28-Y35 AromaticContact CZ-CD1 3.89Å; F28-Y35 HydrophobicContact CZ-CD1 3.89Å; F28-Y35 HydrophobicContact CZ-CD2 4.44Å; F28-Y35 AromaticContact CZ-CG 3.69Å; F28-Y35 HydrophobicContact CZ-CG 3.69Å; F28-Y35 PolarHBondContact N-O 3.3Å; F28-Y35 PolarHBondContact O-N 3.04Å; F28-L419 HydrophobicContact CE1-CD2 3.72Å; F28-L419 HydrophobicContact CZ-CD2 3.88Å; F28-L421 HydrophobicContact CE2-CD1 3.85Å; F28-L421 HydrophobicContact CZ-CD1 4.48Å; F28-I561 HydrophobicContact CD1-CD1 4.43Å; F28-I561 HydrophobicContact CD2-CD1 3.99Å; F28-I561 HydrophobicContact CD2-CG1 4.32Å; F28-I561 HydrophobicContact CE2-CD1 4.24Å; F28-I561 HydrophobicContact CG-CD1 4.09Å; F28-K563 HydrophobicContact CB-CG 4.12Å; F28-I580 HydrophobicContact CZ-CD1 4.27Å; F28-W592 HydrophobicContact CD1-CE3 4.02Å; F28-W592 AromaticContact CD1-CZ3 3.91Å; F28-W592 HydrophobicContact CD1-CZ3 3.91Å; F28-W592 HydrophobicContact CE1-CD2 4.11Å; F28-W592 AromaticContact CE1-CE3 3.52Å; F28-W592 HydrophobicContact CE1-CE3 3.52Å; F28-W592 AromaticContact CE1-CZ3 3.83Å; F28-W592 HydrophobicContact CE1-CZ3 3.83Å
29	I	94.7	Very high	85.9	Confident	110 Å²	110	66 Å²	66	56%	0.564	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.7	-175	-57.9	174.3	0	0	0	108	G33 T34	I29-G33 WeakPolarHBondContact CA-O 3.32Å; I29-T34 HydrophobicContact CG1-CG2 4.31Å
30	T	93.5	Very high	88.2	Confident	14 Å²	14	68 Å²	68	9%	0.086	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	-179.9	175.1	54.5	0	0	0	0	108.1	F28 E32 G33 Y35 L421 L560 I561	F28-T30 HydrophobicContact CD2-CG2 4.22Å; F28-T30 HydrophobicContact CE2-CG2 4.42Å; T30-E32 VanDerWaalsContact CB-OE2 3.28Å; T30-E32 WeakPolarHBondContact CB-OE2 3.46Å; T30-E32 PolarHBondContact O-N 3Å; T30-E32 PolarHBondContact OG1-OE2 2.75Å; T30-G33 PolarHBondContact N-O 2.8Å; T30-G33 PolarHBondContact O-N 3.29Å; T30-G33 PolarHBondContact OG1-O 2.93Å; T30-Y35 HydrophobicContact CG2-CD2 4.43Å; T30-Y35 HydrophobicContact CG2-CE2 4.28Å; T30-Y35 WeakPolarHBondContact OG1-CE2 3.27Å; T30-L421 HydrophobicContact CG2-CD1 4.13Å; T30-L560 HydrophobicContact CG2-CD2 3.81Å; T30-L560 HydrophobicContact CG2-CG 4.46Å; T30-I561 HydrophobicContact CG2-CG2 4.05Å
31	R	90.2	Very high	90.4	Very high	132 Å²	132	65.4 Å²	65.4	50%	0.498	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.5	179.8	67.1	-176.4	-175.7	-164.4	-3.1	113	G33 R409 D423	R31-G33 VanDerWaalsContact C-N 3.3Å; R31-R409 VanDerWaalsContact NH2-NH2 3.1Å; R31-D423 IonicContact CZ-OD2 2.9Å; R31-D423 IonicContact NE-OD2 3.85Å; R31-D423 IonicContact NH1-OD2 3.47Å; R31-D423 PolarHBondContact NH1-OD2 3.43Å; R31-D423 IonicContact NH2-OD2 2.87Å
32	E	89.4	Confident	92.1	Very high	64 Å²	64	60.6 Å²	60.6	30%	0.299	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-17.7	178	-58.9	73.5	-157.2	0	0	112.7	T30 T345 R409 P595	T30-E32 VanDerWaalsContact CB-OE2 3.28Å; T30-E32 WeakPolarHBondContact CB-OE2 3.46Å; T30-E32 PolarHBondContact O-N 3Å; T30-E32 PolarHBondContact OG1-OE2 2.75Å; E32-T345 HydrophobicContact CG-CG2 4.41Å; E32-R409 IonicContact OE1-CZ 3.13Å; E32-R409 VanDerWaalsContact OE1-CZ 3.23Å; E32-R409 IonicContact OE1-NH1 3.14Å; E32-R409 PolarHBondContact OE1-NH1 2.89Å; E32-R409 IonicContact OE1-NH2 3.9Å; E32-R409 PolarHBondContact OE1-NH2 3.33Å; E32-R409 IonicContact OE2-CZ 3.97Å; E32-R409 IonicContact OE2-NH1 3.49Å; E32-R409 PolarHBondContact OE2-NH1 3.02Å; E32-R409 IonicContact OE2-NH2 3.23Å; E32-P595 HydrophobicContact CB-CG 4.07Å; E32-P595 WeakPolarHBondContact O-CB 3.44Å; E32-P595 WeakPolarHBondContact O-CG 3.49Å
33	G	92.9	Very high	93.5	Very high	24 Å²	24	57.6 Å²	57.6	25%	0.247	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	126	-156	-178	0	0	0	0	0	113.3	I29 T30 R31 P595	I29-G33 WeakPolarHBondContact CA-O 3.32Å; T30-G33 PolarHBondContact N-O 2.8Å; T30-G33 PolarHBondContact O-N 3.29Å; T30-G33 PolarHBondContact OG1-O 2.93Å; R31-G33 VanDerWaalsContact C-N 3.3Å; G33-P595 VanDerWaalsContact C-CG 3.49Å
34	T	95.1	Very high	94.1	Very high	64 Å²	64	54.5 Å²	54.5	39%	0.393	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.7	-175.2	-53.9	0	0	0	0	111.6	Q27 I29	Q27-T34 HydrophobicContact CB-CG2 4.28Å; I29-T34 HydrophobicContact CG1-CG2 4.31Å
35	Y	96.3	Very high	94.2	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.3	166.3	-72.7	-109.3	0	0	0	109	Q27 F28 T30 I580 A593 R594 P595	Q27-Y35 WeakPolarHBondContact CA-O 3.36Å; Q27-Y35 VanDerWaalsContact CB-O 3.24Å; Q27-Y35 WeakPolarHBondContact CB-O 3.13Å; F28-Y35 HydrophobicContact CD2-CD2 4.13Å; F28-Y35 HydrophobicContact CD2-CG 4.06Å; F28-Y35 AromaticContact CE2-CD1 3.89Å; F28-Y35 HydrophobicContact CE2-CD1 3.89Å; F28-Y35 AromaticContact CE2-CD2 3.67Å; F28-Y35 HydrophobicContact CE2-CD2 3.67Å; F28-Y35 HydrophobicContact CE2-CE2 4.44Å; F28-Y35 AromaticContact CE2-CG 3.36Å; F28-Y35 HydrophobicContact CE2-CG 3.36Å; F28-Y35 VanDerWaalsContact CZ-CB 3.48Å; F28-Y35 AromaticContact CZ-CD1 3.89Å; F28-Y35 HydrophobicContact CZ-CD1 3.89Å; F28-Y35 HydrophobicContact CZ-CD2 4.44Å; F28-Y35 AromaticContact CZ-CG 3.69Å; F28-Y35 HydrophobicContact CZ-CG 3.69Å; F28-Y35 PolarHBondContact N-O 3.3Å; F28-Y35 PolarHBondContact O-N 3.04Å; T30-Y35 HydrophobicContact CG2-CD2 4.43Å; T30-Y35 HydrophobicContact CG2-CE2 4.28Å; T30-Y35 WeakPolarHBondContact OG1-CE2 3.27Å; Y35-I580 HydrophobicContact CD1-CD1 3.71Å; Y35-I580 HydrophobicContact CD1-CG1 4.26Å; Y35-I580 HydrophobicContact CE1-CD1 3.44Å; Y35-I580 VanDerWaalsContact CE1-CD1 3.44Å; Y35-I580 HydrophobicContact CE1-CG1 3.97Å; Y35-A593 WeakPolarHBondContact CA-O 3.45Å; Y35-R594 HydrophobicContact CD1-CG 4.39Å; Y35-R594 HydrophobicContact CE1-CB 4.33Å; Y35-R594 HydrophobicContact CE1-CG 3.73Å; Y35-R594 PolarHBondContact OH-NH1 2.91Å; Y35-P595 HydrophobicContact CD2-CG 3.94Å; Y35-P595 VanDerWaalsContact CE2-CD 3.46Å; Y35-P595 HydrophobicContact CE2-CG 3.74Å
36	K	96.2	Very high	94.1	Very high	107 Å²	107	53.6 Å²	53.6	47%	0.465	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131	-174.3	-169.5	175.6	-178.5	178.2	0	111.6	M38 W592 A593	K36-M38 PolarHBondContact O-N 3.11Å; K36-W592 CarbonylContact O-C 3.58Å; K36-W592 WeakPolarHBondContact O-CA 3.41Å; K36-A593 PolarHBondContact N-O 3.29Å; K36-A593 VanDerWaalsContact N-O 3.14Å; K36-A593 PolarHBondContact O-N 2.74Å
37	L	96.6	Very high	94	Very high	38 Å²	38	54 Å²	54	20%	0.199	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	123.6	172.3	178.3	63.1	0	0	0	110.1	S26 T39 C590 W592	S26-L37 WeakPolarHBondContact O-CB 3.5Å; S26-L37 PolarHBondContact O-N 2.79Å; L37-T39 HydrophobicContact CG-CG2 4.48Å; L37-T39 PolarHBondContact O-N 2.77Å; L37-C590 HydrophobicContact CD1-CB 3.69Å; L37-W592 HydrophobicContact CB-CD2 4.36Å; L37-W592 HydrophobicContact CB-CE3 3.97Å; L37-W592 HydrophobicContact CB-CH2 4.24Å; L37-W592 HydrophobicContact CB-CZ3 3.93Å; L37-W592 HydrophobicContact CD1-CD2 4.24Å; L37-W592 HydrophobicContact CD1-CZ2 4.1Å
38	M	95	Very high	93.6	Very high	36 Å²	36	55.3 Å²	55.3	18%	0.177	28%	0.283	C	S	.	.			trans	-94.7	91.5	179.2	-59.2	-57.6	-71.3	0	0	109.6	K36 L40 S41 V108 T591 A593 T598	K36-M38 PolarHBondContact O-N 3.11Å; M38-L40 PolarHBondContact O-N 2.97Å; M38-S41 WeakPolarHBondContact CB-OG 3.31Å; M38-S41 PolarHBondContact O-N 3.28Å; M38-V108 WeakPolarHBondContact CE-O 3.29Å; M38-T591 WeakPolarHBondContact CB-O 3.43Å; M38-T591 PolarHBondContact N-O 2.93Å; M38-A593 HydrophobicContact CG-CB 3.68Å; M38-A593 HydrophobicContact SD-CB 3.77Å; M38-T598 HydrophobicContact SD-CG2 4.36Å
39	T	92.5	Very high	93.3	Very high	103 Å²	103	59 Å²	59	63%	0.632	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-64.4	-24.7	-175.4	55.5	0	0	0	0	113.8	L37 S41	L37-T39 HydrophobicContact CG-CG2 4.48Å; L37-T39 PolarHBondContact O-N 2.77Å; T39-S41 VanDerWaalsContact C-N 3.34Å
40	L	93.7	Very high	92.7	Very high	123 Å²	123	56.6 Å²	56.6	64%	0.644	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-82.9	-11	175.2	-61.4	-178.8	0	0	0	113.3	M38 A111	M38-L40 PolarHBondContact O-N 2.97Å; L40-A111 PolarHBondContact O-N 3.46Å
41	S	93.9	Very high	92	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.007	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-102.5	13.3	-177.9	-48.2	0	0	0	0	112.4	M38 T39 G107 V108 A109 T591	M38-S41 WeakPolarHBondContact CB-OG 3.31Å; M38-S41 PolarHBondContact O-N 3.28Å; T39-S41 VanDerWaalsContact C-N 3.34Å; S41-G107 WeakPolarHBondContact CB-O 3.3Å; S41-V108 PolarHBondContact OG-O 3.19Å; S41-V108 VanDerWaalsContact OG-O 3.13Å; S41-A109 VanDerWaalsContact CB-O 3.32Å; S41-A109 WeakPolarHBondContact CB-O 3.5Å; S41-A109 PolarHBondContact OG-O 3.22Å; S41-T591 PolarHBondContact O-OG1 3.03Å
42	E	95.5	Very high	91	Very high	45 Å²	45	54.5 Å²	54.5	21%	0.21	30%	0.296	C	S	.	.			trans	-78.7	132.7	-179.3	-175.8	-167.2	87.1	0	0	111.9	R48 I589	E42-R48 IonicContact OE1-NH1 3.16Å; E42-R48 PolarHBondContact OE1-NH1 2.87Å; E42-I589 WeakPolarHBondContact CA-O 3.41Å
43	Y	96.7	Very high	89.6	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-105.1	141.9	169.4	-66.5	-100.7	0	0	0	110.4	I92 Y103 N104 Y105 E106 A111 A112 L114 I589	Y43-I92 HydrophobicContact CD1-CG2 4.12Å; Y43-I92 HydrophobicContact CD2-CD1 4.48Å; Y43-I92 HydrophobicContact CE1-CG2 4.05Å; Y43-Y103 HydrophobicContact CD1-CD2 4.15Å; Y43-Y103 HydrophobicContact CD1-CG 4.22Å; Y43-Y103 HydrophobicContact CE1-CG 4.26Å; Y43-N104 WeakPolarHBondContact CE1-O 3.23Å; Y43-N104 PolarHBondContact OH-O 3.17Å; Y43-Y105 HydrophobicContact CD2-CD2 4.39Å; Y43-Y105 HydrophobicContact CD2-CE2 4.49Å; Y43-Y105 AromaticContact CE2-CD2 3.69Å; Y43-Y105 HydrophobicContact CE2-CD2 3.69Å; Y43-Y105 AromaticContact CE2-CE2 3.96Å; Y43-Y105 HydrophobicContact CE2-CE2 3.96Å; Y43-E106 PolarHBondContact OH-N 2.92Å; Y43-A111 HydrophobicContact CD2-CB 4.23Å; Y43-A111 HydrophobicContact CE1-CB 4.16Å; Y43-A111 HydrophobicContact CE2-CB 3.72Å; Y43-A111 WeakPolarHBondContact OH-CA 3.14Å; Y43-A112 HydrophobicContact CE1-CB 4.27Å; Y43-A112 PolarHBondContact OH-N 3.29Å; Y43-L114 HydrophobicContact CD1-CD2 3.87Å; Y43-L114 HydrophobicContact CE1-CD2 4.48Å; Y43-L114 HydrophobicContact CG-CD2 4.47Å; Y43-I589 PolarHBondContact N-O 3.32Å; Y43-I589 VanDerWaalsContact O-CD1 3.28Å; Y43-I589 WeakPolarHBondContact O-CD1 3.32Å; Y43-I589 PolarHBondContact O-N 2.87Å
44	S	95.2	Very high	87.6	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.014	32%	0.323	C	S	.	.			trans	-163	-172.9	175.8	58.9	0	0	0	0	110.2	G587	S44-G587 WeakPolarHBondContact CA-O 3.47Å; S44-G587 WeakPolarHBondContact CB-O 3.35Å
45	R	93.4	Very high	85.3	Confident	38 Å²	38	61.7 Å²	61.7	14%	0.143	34%	0.338	C	S	.	.			trans	-59.1	146.2	168.7	-63.2	-170.5	-67.4	-179.2	-2.9	110	S47 R48 V49 P50 V96 E99 Y101	R45-S47 PolarHBondContact O-N 3.01Å; R45-R48 WeakPolarHBondContact O-CA 3.47Å; R45-R48 PolarHBondContact O-N 3.4Å; R45-V49 PolarHBondContact NE-O 3.08Å; R45-V49 PolarHBondContact NH2-O 3.26Å; R45-P50 VanDerWaalsContact NH2-C 3.29Å; R45-P50 PolarHBondContact NH2-O 3.09Å; R45-V96 HydrophobicContact CG-CB 4.12Å; R45-V96 HydrophobicContact CG-CG1 4.09Å; R45-V96 HydrophobicContact CG-CG2 4.25Å; R45-E99 VanDerWaalsContact CD-OE2 3.29Å; R45-E99 WeakPolarHBondContact CD-OE2 3.13Å; R45-Y101 HydrophobicContact CG-CE2 4.08Å
46	P	92.2	Very high	82.6	Confident	54 Å²	54	62.9 Å²	62.9	35%	0.351	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.7	179.1	-20.8	27.7	0	0	0	113.6	R48 Y101 L114	P46-R48 VanDerWaalsContact C-N 3.26Å; P46-R48 PolarHBondContact O-N 3.05Å; P46-Y101 WeakPolarHBondContact CD-OH 3.4Å; P46-Y101 HydrophobicContact CG-CE1 3.93Å; P46-L114 WeakPolarHBondContact CB-O 3.06Å; P46-L114 VanDerWaalsContact CG-O 3.25Å; P46-L114 WeakPolarHBondContact CG-O 3.29Å
47	S	90.3	Very high	79.4	Confident	75 Å²	75	65 Å²	65	52%	0.524	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.4	176.9	61.2	0	0	0	0	114.2	R45 V49	R45-S47 PolarHBondContact O-N 3.01Å; S47-V49 PolarHBondContact O-N 2.62Å
48	R	88	Confident	76.3	Confident	125 Å²	125	69.8 Å²	69.8	47%	0.472	39%	0.392	S	S	.	.			trans	52.4	17.9	-173.1	-60.8	-173.1	177.1	-89.5	0.1	115	E42 R45 P46 L114	E42-R48 IonicContact OE1-NH1 3.16Å; E42-R48 PolarHBondContact OE1-NH1 2.87Å; R45-R48 WeakPolarHBondContact O-CA 3.47Å; R45-R48 PolarHBondContact O-N 3.4Å; P46-R48 VanDerWaalsContact C-N 3.26Å; P46-R48 PolarHBondContact O-N 3.05Å; R48-L114 VanDerWaalsContact NH2-CD1 3.26Å
49	V	87.5	Confident	73.4	Confident	84 Å²	84	75.9 Å²	75.9	51%	0.509	43%	0.432	S	S	.	.			trans	-79.2	132.1	174.9	-179	0	0	0	0	108	R45 S47	R45-V49 PolarHBondContact NE-O 3.08Å; R45-V49 PolarHBondContact NH2-O 3.26Å; S47-V49 PolarHBondContact O-N 2.62Å
50	P	83.4	Confident	70.7	Confident	58 Å²	58	75.3 Å²	75.3	38%	0.377	44%	0.437	S	S	.	.			trans	-59	142.9	172	-23.5	32.9	0	0	0	111.7	R45 N52 E586 F588	R45-P50 VanDerWaalsContact NH2-C 3.29Å; R45-P50 PolarHBondContact NH2-O 3.09Å; P50-N52 PolarHBondContact O-N 3.43Å; P50-E586 HydrophobicContact CB-CB 4.11Å; P50-E586 HydrophobicContact CB-CG 4.19Å; P50-F588 HydrophobicContact CB-CE2 4.17Å; P50-F588 HydrophobicContact CG-CE2 3.95Å; P50-F588 HydrophobicContact CG-CZ 3.99Å
51	L	79.2	Confident	68.6	Low	25 Å²	25	70.5 Å²	70.5	13%	0.131	42%	0.418	C	S	.	.			trans	-69.2	113.5	169.8	-175.5	67.4	0	0	0	108.9	P53 V96 E586	L51-P53 VanDerWaalsContact O-CD 3.32Å; L51-P53 WeakPolarHBondContact O-CD 3.4Å; L51-V96 HydrophobicContact CB-CG1 4.06Å; L51-V96 HydrophobicContact CD1-CG1 4.49Å; L51-V96 HydrophobicContact CD2-CG1 4.07Å; L51-V96 HydrophobicContact CG-CG1 4.44Å; L51-E586 WeakPolarHBondContact CB-O 3.36Å; L51-E586 PolarHBondContact N-O 2.88Å
52	N	68.9	Low	67.2	Low	77 Å²	77	71.9 Å²	71.9	41%	0.412	43%	0.427	S	S	.	.			trans	-69.7	120	178.3	-170.5	-10.2	0	0	0	109.5	P50 A54 Q55	P50-N52 PolarHBondContact O-N 3.43Å; N52-A54 PolarHBondContact O-N 3.1Å; N52-A54 VanDerWaalsContact O-N 3.1Å; N52-A54 PolarHBondContact OD1-N 3.38Å; N52-Q55 HydrophobicContact CB-CB 4.41Å; N52-Q55 HydrophobicContact CB-CG 4.21Å; N52-Q55 PolarHBondContact O-N 3.03Å
53	P	60.1	Low	66.5	Low	76 Å²	76	70 Å²	70	49%	0.494	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-58.7	-26.3	179.4	19.4	-29.7	0	0	0	112.6	L51	L51-P53 VanDerWaalsContact O-CD 3.32Å; L51-P53 WeakPolarHBondContact O-CD 3.4Å
54	A	51	Low	66.3	Low	75 Å²	75	72.9 Å²	72.9	62%	0.62	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-77.5	-14.2	178.6	0	0	0	0	0	115	N52 G56	N52-A54 PolarHBondContact O-N 3.1Å; N52-A54 VanDerWaalsContact O-N 3.1Å; N52-A54 PolarHBondContact OD1-N 3.38Å; A54-G56 VanDerWaalsContact C-N 3.25Å; A54-G56 PolarHBondContact O-N 3.24Å
55	Q	45.8	Very low	66.3	Low	153 Å²	153	72.9 Å²	72.9	72%	0.715	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-82.4	-2.7	177.3	-79.8	177.6	-6.2	0	0	113.3	N52 N57	N52-Q55 HydrophobicContact CB-CB 4.41Å; N52-Q55 HydrophobicContact CB-CG 4.21Å; N52-Q55 PolarHBondContact O-N 3.03Å; Q55-N57 PolarHBondContact O-N 3.26Å
56	G	39.3	Very low	66.5	Low	25 Å²	25	72.9 Å²	72.9	26%	0.258	44%	0.439	S	S	.	.	S	Bend	trans	-82.2	101.8	156.3	0	0	0	0	0	109	A54 N58	A54-G56 VanDerWaalsContact C-N 3.25Å; A54-G56 PolarHBondContact O-N 3.24Å; G56-N58 PolarHBondContact O-N 3.34Å; G56-N58 VanDerWaalsContact O-N 3.08Å
57	N	28.6	Very low	66.7	Low	152 Å²	152	70.6 Å²	70.6	81%	0.813	42%	0.424	S	S	*	.	S	Bend	trans	-48.6	122.6	166.8	-95.2	6.2	0	0	0	108.8	Q55	Q55-N57 PolarHBondContact O-N 3.26Å
58	N	33.3	Very low	67.1	Low	138 Å²	138	67.4 Å²	67.4	74%	0.738	40%	0.402	S	S	*	.	S	Bend	trans	82.7	124.5	-173.2	-53.5	-34.6	0	0	0	114.7	G56 A60 G61	G56-N58 PolarHBondContact O-N 3.34Å; G56-N58 VanDerWaalsContact O-N 3.08Å; N58-A60 PolarHBondContact O-N 3.07Å; N58-G61 PolarHBondContact O-N 3.34Å
59	V	32.6	Very low	67.4	Low	165 Å²	165	62.3 Å²	62.3	100%	1	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	19.8	-175	180	0	0	0	0	114
60	A	35.5	Very low	67.7	Low	90 Å²	90	58.5 Å²	58.5	74%	0.744	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.7	10.4	178.2	0	0	0	0	0	113.8	N58	N58-A60 PolarHBondContact O-N 3.07Å
61	G	50.3	Low	68	Low	23 Å²	23	58.7 Å²	58.7	24%	0.237	36%	0.36	C	S	.	.			trans	-111.4	3.7	-154.9	0	0	0	0	0	120.2	N58 Y127	N58-G61 PolarHBondContact O-N 3.34Å; G61-Y127 PolarHBondContact O-OH 2.88Å
62	S	65	Low	68.2	Low	30 Å²	30	57.6 Å²	57.6	21%	0.21	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-95.6	127.3	175	-173.9	0	0	0	0	111.2	Q585	S62-Q585 PolarHBondContact OG-NE2 3.18Å
63	A	80.5	Confident	68.6	Low	4 Å²	4	56.9 Å²	56.9	3%	0.033	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-57.2	145.3	171.5	0	0	0	0	0	111.3	Y127 P128 T129 Q585	A63-Y127 HydrophobicContact CB-CD2 3.31Å; A63-Y127 HydrophobicContact CB-CE2 3.41Å; A63-Y127 VanDerWaalsContact CB-CE2 3.41Å; A63-Y127 HydrophobicContact CB-CG 4.47Å; A63-P128 WeakPolarHBondContact CB-O 3.5Å; A63-T129 HydrophobicContact CB-CG2 4.47Å; A63-Q585 PolarHBondContact O-NE2 3.48Å
64	P	91.5	Very high	68.7	Low	61 Å²	61	55.1 Å²	55.1	40%	0.396	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-59.3	145.9	167.3	28	-33.6	0	0	0	109.9	H66 N95	P64-H66 PolarHBondContact O-N 3.27Å; P64-N95 PolarHBondContact O-ND2 2.96Å; P64-N95 VanDerWaalsContact O-ND2 3.08Å
65	V	95.6	Very high	69	Low	2 Å²	2	56.1 Å²	56.1	1%	0.012	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-70.6	125.6	167.2	173.9	0	0	0	0	107	S571 V572 A583 C584	V65-S571 WeakPolarHBondContact O-CB 3.42Å; V65-S571 PolarHBondContact O-OG 3.11Å; V65-V572 VanDerWaalsContact O-CG2 3.27Å; V65-V572 WeakPolarHBondContact O-CG2 3.5Å; V65-A583 HydrophobicContact CG1-CB 4.06Å; V65-C584 WeakPolarHBondContact CG2-O 3.07Å
66	H	97.3	Very high	69.2	Low	39 Å²	39	55 Å²	55	18%	0.181	34%	0.344	C	S	.	.			trans	-117.4	149.9	177.5	-167.2	-88	0	0	0	108.6	P64 S68 F94 N95 H131	P64-H66 PolarHBondContact O-N 3.27Å; H66-S68 PolarHBondContact CE1-OG 2.78Å; H66-S68 PolarHBondContact ND1-OG 3.46Å; H66-F94 VanDerWaalsContact O-CA 3.26Å; H66-F94 WeakPolarHBondContact O-CA 3.24Å; H66-F94 WeakPolarHBondContact O-CB 3.4Å; H66-N95 WeakPolarHBondContact CA-OD1 3.45Å; H66-N95 VanDerWaalsContact CB-OD1 3.27Å; H66-N95 WeakPolarHBondContact CB-OD1 3.38Å; H66-N95 PolarHBondContact N-OD1 3.44Å; H66-N95 PolarHBondContact O-N 2.91Å; H66-N95 PolarHBondContact O-OD1 2.81Å; H66-H131 PolarHBondContact CE1-O 3.36Å; H66-H131 AromaticContact ND1-CE1 3.46Å; H66-H131 PolarHBondContact ND1-CE1 2.63Å; H66-H131 AromaticContact ND1-ND1 3.51Å; H66-H131 AromaticContact ND1-NE2 3.92Å; H66-H131 PolarHBondContact O-CE1 2.94Å; H66-H131 PolarHBondContact O-NE2 3.13Å
67	V	98	Very high	69.5	Low	6 Å²	6	61.4 Å²	61.4	4%	0.036	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.1	-179.7	179.9	0	0	0	0	108.5	F69 I92 C93 F94 V572 I574 A583 I589	V67-F69 HydrophobicContact CG1-CD2 4.27Å; V67-F69 HydrophobicContact CG1-CE2 3.65Å; V67-F69 HydrophobicContact CG1-CZ 3.96Å; V67-I92 HydrophobicContact CG1-CD1 3.86Å; V67-I92 HydrophobicContact CG1-CG1 3.84Å; V67-C93 CarbonylContact C-O 3.57Å; V67-C93 WeakPolarHBondContact CA-O 3.4Å; V67-F94 HydrophobicContact CG2-CB 4.04Å; V67-V572 HydrophobicContact CB-CG1 4.07Å; V67-V572 HydrophobicContact CB-CG2 4.4Å; V67-V572 HydrophobicContact CG2-CG1 4.2Å; V67-V572 HydrophobicContact CG2-CG2 4.08Å; V67-I574 HydrophobicContact CB-CD1 4.14Å; V67-I574 HydrophobicContact CG1-CD1 4.19Å; V67-A583 HydrophobicContact CG2-CB 4.22Å; V67-I589 HydrophobicContact CG2-CG1 3.85Å; V67-I589 HydrophobicContact CG2-CG2 4.32Å
68	S	97.4	Very high	70.3	Confident	8 Å²	8	59.9 Å²	59.9	6%	0.056	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.3	174.8	-52	0	0	0	0	110.2	H66 C93 H131	H66-S68 PolarHBondContact CE1-OG 2.78Å; H66-S68 PolarHBondContact ND1-OG 3.46Å; S68-C93 PolarHBondContact N-O 3.5Å; S68-C93 PolarHBondContact O-N 2.8Å; S68-H131 PolarHBondContact OG-CE1 3.17Å; S68-H131 PolarHBondContact OG-ND1 3.48Å; S68-H131 PolarHBondContact OG-O 3.17Å
69	F	95.2	Very high	70.4	Confident	18 Å²	18	58.2 Å²	58.2	8%	0.079	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	154.4	177.2	-68.6	-83.5	0	0	0	110.9	V67 K91 I92 Y105 Q135 I574 V581	V67-F69 HydrophobicContact CG1-CD2 4.27Å; V67-F69 HydrophobicContact CG1-CE2 3.65Å; V67-F69 HydrophobicContact CG1-CZ 3.96Å; F69-K91 VanDerWaalsContact CA-O 3.31Å; F69-K91 WeakPolarHBondContact CA-O 3.44Å; F69-I92 HydrophobicContact CD1-CB 4.03Å; F69-I92 HydrophobicContact CD1-CG1 4.2Å; F69-I92 HydrophobicContact CE1-CB 3.72Å; F69-I92 HydrophobicContact CE1-CD1 3.71Å; F69-I92 HydrophobicContact CE1-CG1 3.66Å; F69-I92 HydrophobicContact CZ-CD1 3.7Å; F69-I92 HydrophobicContact CZ-CG1 3.97Å; F69-Y105 HydrophobicContact CD1-CD1 4.15Å; F69-Y105 HydrophobicContact CD1-CG 4.18Å; F69-Y105 AromaticContact CE1-CD1 3.69Å; F69-Y105 HydrophobicContact CE1-CD1 3.69Å; F69-Y105 AromaticContact CE1-CD2 3.69Å; F69-Y105 HydrophobicContact CE1-CD2 3.69Å; F69-Y105 AromaticContact CE1-CE1 3.89Å; F69-Y105 HydrophobicContact CE1-CE1 3.89Å; F69-Y105 AromaticContact CE1-CE2 3.92Å; F69-Y105 HydrophobicContact CE1-CE2 3.92Å; F69-Y105 AromaticContact CE1-CG 3.57Å; F69-Y105 HydrophobicContact CE1-CG 3.57Å; F69-Y105 HydrophobicContact CZ-CD2 4.41Å; F69-Y105 HydrophobicContact CZ-CE1 4.45Å; F69-Y105 HydrophobicContact CZ-CE2 4.23Å; F69-Q135 PolarHBondContact O-NE2 2.9Å; F69-I574 HydrophobicContact CD2-CD1 3.97Å; F69-I574 HydrophobicContact CD2-CG2 4.25Å; F69-I574 HydrophobicContact CE2-CD1 3.76Å; F69-I574 HydrophobicContact CE2-CG2 4.19Å; F69-V581 HydrophobicContact CE2-CG1 4.39Å; F69-V581 HydrophobicContact CE2-CG2 4.42Å; F69-V581 HydrophobicContact CZ-CB 4.46Å; F69-V581 HydrophobicContact CZ-CG1 4.19Å; F69-V581 HydrophobicContact CZ-CG2 4.05Å
70	V	93	Very high	70.7	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.018	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	138.1	165.8	60.5	0	0	0	0	109.4	L72 K91 F133 F160	V70-L72 HydrophobicContact CG1-CD1 4.44Å; V70-L72 HydrophobicContact CG1-CG 4.43Å; V70-L72 HydrophobicContact CG2-CD2 3.95Å; V70-L72 HydrophobicContact CG2-CG 4.2Å; V70-K91 HydrophobicContact CG1-CB 3.8Å; V70-K91 HydrophobicContact CG1-CG 4.3Å; V70-K91 PolarHBondContact N-O 3.26Å; V70-K91 VanDerWaalsContact N-O 3.1Å; V70-K91 PolarHBondContact O-N 3.31Å; V70-F133 HydrophobicContact CB-CB 3.84Å; V70-F133 HydrophobicContact CB-CD1 4.19Å; V70-F133 HydrophobicContact CB-CD2 3.85Å; V70-F133 HydrophobicContact CB-CE2 4.41Å; V70-F133 HydrophobicContact CB-CG 3.72Å; V70-F133 HydrophobicContact CG1-CB 4.42Å; V70-F133 HydrophobicContact CG1-CD1 3.82Å; V70-F133 HydrophobicContact CG1-CD2 3.85Å; V70-F133 HydrophobicContact CG1-CE1 3.9Å; V70-F133 HydrophobicContact CG1-CE2 3.93Å; V70-F133 HydrophobicContact CG1-CG 3.79Å; V70-F133 HydrophobicContact CG1-CZ 3.96Å; V70-F133 HydrophobicContact CG2-CB 4.27Å; V70-F160 HydrophobicContact CG1-CZ 4.32Å
71	T	89.3	Confident	70.9	Confident	62 Å²	62	55.5 Å²	55.5	38%	0.38	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.6	176.4	-57.7	0	0	0	0	108	C88 E90	T71-C88 HydrophobicContact CG2-CB 3.75Å; T71-E90 HydrophobicContact CG2-CG 4.32Å; T71-E90 PolarHBondContact OG1-OE1 2.74Å
72	L	84	Confident	70.3	Confident	3 Å²	3	61 Å²	61	2%	0.016	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.1	-178.6	-62.6	170.9	0	0	0	109.5	V70 C88 R89 K91 V140 C143 F160	V70-L72 HydrophobicContact CG1-CD1 4.44Å; V70-L72 HydrophobicContact CG1-CG 4.43Å; V70-L72 HydrophobicContact CG2-CD2 3.95Å; V70-L72 HydrophobicContact CG2-CG 4.2Å; L72-C88 WeakPolarHBondContact O-CA 3.46Å; L72-R89 PolarHBondContact N-O 2.91Å; L72-R89 PolarHBondContact O-N 2.8Å; L72-K91 HydrophobicContact CD1-CG 4.05Å; L72-V140 HydrophobicContact CB-CG2 4.32Å; L72-V140 HydrophobicContact CD1-CG2 4.08Å; L72-C143 HydrophobicContact CD1-CB 4.43Å; L72-C143 HydrophobicContact CD2-CB 4Å; L72-F160 HydrophobicContact CD1-CD2 4.45Å; L72-F160 HydrophobicContact CD1-CE1 4.46Å; L72-F160 HydrophobicContact CD1-CE2 3.95Å; L72-F160 HydrophobicContact CD1-CZ 3.96Å
73	P	77	Confident	69	Low	62 Å²	62	65.8 Å²	65.8	40%	0.403	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	140.7	170.9	25.7	-31.5	0	0	0	109.4	D75 N138	P73-D75 PolarHBondContact O-N 3.1Å; P73-N138 VanDerWaalsContact CG-O 3.32Å; P73-N138 WeakPolarHBondContact CG-O 3.45Å
74	A	62.6	Low	66.8	Low	38 Å²	38	70.7 Å²	70.7	31%	0.314	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-61.6	131.1	177.1	0	0	0	0	0	110.3	V76 N87	A74-V76 PolarHBondContact O-N 3.36Å; A74-N87 WeakPolarHBondContact CB-O 3.21Å; A74-N87 PolarHBondContact N-O 3.17Å
75	D	58	Low	64.4	Low	96 Å²	96	72.6 Å²	72.6	51%	0.513	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-62.4	124.1	171.9	-74.1	-40.4	0	0	0	109.1	P73 N77 E78	P73-D75 PolarHBondContact O-N 3.1Å; D75-N77 PolarHBondContact O-N 2.98Å; D75-E78 PolarHBondContact O-N 3.46Å
76	V	48.4	Very low	62.1	Low	130 Å²	130	79.2 Å²	79.2	79%	0.788	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-9.7	179.7	-162.9	0	0	0	0	112.3	A74	A74-V76 PolarHBondContact O-N 3.36Å
77	N	46.5	Very low	59.9	Low	159 Å²	159	83.5 Å²	83.5	85%	0.85	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	1.1	-173.3	-69.2	-18.4	0	0	0	115.3	D75	D75-N77 PolarHBondContact O-N 2.98Å
78	E	45.1	Very low	58.1	Low	120 Å²	120	86.5 Å²	86.5	56%	0.561	52%	0.52	S	S	*	.			trans	-109.5	18.5	175.3	-83.7	-160.2	167.8	0	0	114.5	D75 S80 R89	D75-E78 PolarHBondContact O-N 3.46Å; E78-S80 PolarHBondContact O-N 3.18Å; E78-R89 IonicContact OE2-CZ 3.91Å; E78-R89 IonicContact OE2-NH1 2.94Å; E78-R89 PolarHBondContact OE2-NH1 3.38Å
79	S	36.2	Very low	57.3	Low	103 Å²	103	90.9 Å²	90.9	72%	0.72	54%	0.535	S	S	*	.			trans	-77.2	81.1	-179.9	62.8	0	0	0	0	112.6
80	S	39.2	Very low	57.1	Low	123 Å²	123	92.5 Å²	92.5	86%	0.86	54%	0.543	S	S	*	.			trans	-117.7	5.4	159.8	62.9	0	0	0	0	113.6	E78	E78-S80 PolarHBondContact O-N 3.18Å
81	S	39.8	Very low	57.1	Low	76 Å²	76	93.3 Å²	93.3	53%	0.531	55%	0.546	S	S	.	.	S	Bend	trans	-110.6	121.6	171.9	57.4	0	0	0	0	110.9	D83	S81-D83 PolarHBondContact O-N 3.17Å
82	T	35.8	Very low	57.4	Low	138 Å²	138	90.4 Å²	90.4	85%	0.847	53%	0.528	S	S	*	.			trans	-70.8	18.4	-174.8	40.3	0	0	0	0	116.2	S84	T82-S84 PolarHBondContact O-N 3.45Å
83	D	38.3	Very low	58	Low	131 Å²	131	90.2 Å²	90.2	70%	0.701	53%	0.527	S	S	*	.			trans	-97.3	89.2	-179.7	-72.8	-13.5	0	0	0	110.1	S81 T85	S81-D83 PolarHBondContact O-N 3.17Å; D83-T85 PolarHBondContact O-N 2.82Å
84	S	34.4	Very low	59	Low	106 Å²	106	87.3 Å²	87.3	74%	0.741	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	23.2	-176.4	57.6	0	0	0	0	114.7	T82	T82-S84 PolarHBondContact O-N 3.45Å
85	T	41.8	Very low	60.6	Low	102 Å²	102	85.5 Å²	85.5	63%	0.626	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-1.2	-167.9	45.9	0	0	0	0	115.9	D83	D83-T85 PolarHBondContact O-N 2.82Å
86	N	46.7	Very low	62.3	Low	141 Å²	141	81 Å²	81	75%	0.754	47%	0.469	S	S	*	.			trans	-145.6	89.8	169.4	-92	-27.1	0	0	0	112.1	C88	N86-C88 PolarHBondContact O-N 2.78Å
87	N	52.3	Low	64.3	Low	128 Å²	128	75.4 Å²	75.4	68%	0.684	44%	0.438	S	S	*	.			trans	-74.8	7.2	179.7	-85.6	-14.9	0	0	0	114.7	A74	A74-N87 WeakPolarHBondContact CB-O 3.21Å; A74-N87 PolarHBondContact N-O 3.17Å
88	C	59.9	Low	66.5	Low	70 Å²	70	74.8 Å²	74.8	47%	0.473	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.1	176.6	-71	0	0	0	0	109.5	T71 L72 N86	T71-C88 HydrophobicContact CG2-CB 3.75Å; L72-C88 WeakPolarHBondContact O-CA 3.46Å; N86-C88 PolarHBondContact O-N 2.78Å
89	R	79.3	Confident	68.8	Low	99 Å²	99	70.8 Å²	70.8	37%	0.374	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.2	176.8	-72.1	-171.6	179.2	168	1.1	109.6	L72 E78	L72-R89 PolarHBondContact N-O 2.91Å; L72-R89 PolarHBondContact O-N 2.8Å; E78-R89 IonicContact OE2-CZ 3.91Å; E78-R89 IonicContact OE2-NH1 2.94Å; E78-R89 PolarHBondContact OE2-NH1 3.38Å
90	E	90.8	Very high	71.6	Confident	53 Å²	53	66 Å²	66	25%	0.248	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	146.4	179.3	-51.5	-164	123	0	0	111	T71 Y105 R576	T71-E90 HydrophobicContact CG2-CG 4.32Å; T71-E90 PolarHBondContact OG1-OE1 2.74Å; E90-Y105 HydrophobicContact CB-CD1 4.25Å; E90-Y105 PolarHBondContact O-N 2.92Å; E90-Y105 WeakPolarHBondContact OE2-CD1 3.47Å; E90-R576 IonicContact OE1-CZ 2.99Å; E90-R576 IonicContact OE1-NH1 3.64Å; E90-R576 IonicContact OE1-NH2 2.83Å; E90-R576 PolarHBondContact OE1-NH2 3.34Å; E90-R576 IonicContact OE2-CZ 2.83Å; E90-R576 IonicContact OE2-NE 2.74Å; E90-R576 IonicContact OE2-NH2 3.81Å; E90-R576 PolarHBondContact OE2-NH2 2.9Å
91	K	93.2	Very high	74.4	Confident	20 Å²	20	60.2 Å²	60.2	9%	0.087	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.9	177.3	-54.2	-65.2	-174.9	-120	0	109.3	F69 V70 L72 Y103 N104 I118 F160	F69-K91 VanDerWaalsContact CA-O 3.31Å; F69-K91 WeakPolarHBondContact CA-O 3.44Å; V70-K91 HydrophobicContact CG1-CB 3.8Å; V70-K91 HydrophobicContact CG1-CG 4.3Å; V70-K91 PolarHBondContact N-O 3.26Å; V70-K91 VanDerWaalsContact N-O 3.1Å; V70-K91 PolarHBondContact O-N 3.31Å; L72-K91 HydrophobicContact CD1-CG 4.05Å; K91-Y103 WeakPolarHBondContact CA-O 3.18Å; K91-N104 VanDerWaalsContact CD-OD1 3.31Å; K91-N104 WeakPolarHBondContact CD-OD1 3.28Å; K91-N104 WeakPolarHBondContact CE-OD1 3.39Å; K91-N104 PolarHBondContact NZ-OD1 2.84Å; K91-I118 HydrophobicContact CD-CD1 3.8Å; K91-F160 HydrophobicContact CB-CE1 4.27Å; K91-F160 HydrophobicContact CB-CZ 4.11Å; K91-F160 HydrophobicContact CD-CE1 4.01Å; K91-F160 HydrophobicContact CG-CE1 3.75Å; K91-F160 HydrophobicContact CG-CZ 3.83Å
92	I	96.2	Very high	77.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.8	176.2	-172.7	173.6	0	0	0	110	Y43 V67 F69 F94 V102 Y103 Y105 I589	Y43-I92 HydrophobicContact CD1-CG2 4.12Å; Y43-I92 HydrophobicContact CD2-CD1 4.48Å; Y43-I92 HydrophobicContact CE1-CG2 4.05Å; V67-I92 HydrophobicContact CG1-CD1 3.86Å; V67-I92 HydrophobicContact CG1-CG1 3.84Å; F69-I92 HydrophobicContact CD1-CB 4.03Å; F69-I92 HydrophobicContact CD1-CG1 4.2Å; F69-I92 HydrophobicContact CE1-CB 3.72Å; F69-I92 HydrophobicContact CE1-CD1 3.71Å; F69-I92 HydrophobicContact CE1-CG1 3.66Å; F69-I92 HydrophobicContact CZ-CD1 3.7Å; F69-I92 HydrophobicContact CZ-CG1 3.97Å; I92-F94 HydrophobicContact CG1-CD1 4.42Å; I92-V102 VanDerWaalsContact O-CA 3.31Å; I92-V102 WeakPolarHBondContact O-CA 2.98Å; I92-Y103 PolarHBondContact N-O 2.9Å; I92-Y103 PolarHBondContact O-N 2.81Å; I92-Y105 HydrophobicContact CB-CD2 4.3Å; I92-Y105 HydrophobicContact CB-CG 4.45Å; I92-Y105 HydrophobicContact CD1-CD2 4.21Å; I92-Y105 HydrophobicContact CG2-CD2 4.35Å; I92-I589 HydrophobicContact CD1-CG2 4.11Å
93	C	97.3	Very high	79.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.6	168.7	-178.1	0	0	0	0	110.3	V67 S68 Y101 V102 H131 F133 L145	V67-C93 CarbonylContact C-O 3.57Å; V67-C93 WeakPolarHBondContact CA-O 3.4Å; S68-C93 PolarHBondContact N-O 3.5Å; S68-C93 PolarHBondContact O-N 2.8Å; C93-Y101 VanDerWaalsContact CA-O 3.27Å; C93-Y101 WeakPolarHBondContact CA-O 3.42Å; C93-Y101 PolarHBondContact SG-O 2.74Å; C93-V102 HydrophobicContact CB-CG2 4.12Å; C93-H131 PolarHBondContact O-CE1 2.8Å; C93-F133 HydrophobicContact CB-CE2 3.49Å; C93-F133 VanDerWaalsContact CB-CE2 3.49Å; C93-F133 HydrophobicContact CB-CZ 3.63Å; C93-L145 HydrophobicContact CB-CD2 4.42Å
94	F	97.8	Very high	82.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	150.8	174.7	63.9	-92.1	0	0	0	112.5	H66 V67 I92 V96 Y101 Y103 I589	H66-F94 VanDerWaalsContact O-CA 3.26Å; H66-F94 WeakPolarHBondContact O-CA 3.24Å; H66-F94 WeakPolarHBondContact O-CB 3.4Å; V67-F94 HydrophobicContact CG2-CB 4.04Å; I92-F94 HydrophobicContact CG1-CD1 4.42Å; F94-V96 HydrophobicContact CD2-CG2 3.84Å; F94-V96 HydrophobicContact CE2-CG2 3.97Å; F94-Y101 HydrophobicContact CD2-CD2 4.32Å; F94-Y101 AromaticContact CE2-CD2 3.69Å; F94-Y101 HydrophobicContact CE2-CD2 3.69Å; F94-Y101 HydrophobicContact CE2-CG 4.07Å; F94-Y101 HydrophobicContact CZ-CD2 4.14Å; F94-Y101 HydrophobicContact CZ-CG 4.05Å; F94-Y101 PolarHBondContact N-O 2.89Å; F94-Y101 PolarHBondContact O-N 3.39Å; F94-Y103 AromaticContact CE1-CD2 3.73Å; F94-Y103 HydrophobicContact CE1-CD2 3.73Å; F94-Y103 AromaticContact CE1-CE2 3.79Å; F94-Y103 HydrophobicContact CE1-CE2 3.79Å; F94-Y103 HydrophobicContact CZ-CD2 4.26Å; F94-Y103 AromaticContact CZ-CE2 3.83Å; F94-Y103 HydrophobicContact CZ-CE2 3.83Å; F94-I589 HydrophobicContact CB-CD1 4.22Å; F94-I589 HydrophobicContact CB-CG1 4.47Å; F94-I589 HydrophobicContact CD1-CD1 4.01Å; F94-I589 HydrophobicContact CD2-CD1 3.57Å; F94-I589 HydrophobicContact CE1-CD1 4.22Å; F94-I589 HydrophobicContact CE2-CD1 3.82Å; F94-I589 HydrophobicContact CG-CD1 3.67Å; F94-I589 HydrophobicContact CG-CG1 4.34Å; F94-I589 HydrophobicContact CZ-CD1 4.13Å
95	N	96.1	Very high	85.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141.4	174	68.5	-52	0	0	0	111.9	P64 H66 E99 L100 P128 H131	P64-N95 PolarHBondContact O-ND2 2.96Å; P64-N95 VanDerWaalsContact O-ND2 3.08Å; H66-N95 WeakPolarHBondContact CA-OD1 3.45Å; H66-N95 VanDerWaalsContact CB-OD1 3.27Å; H66-N95 WeakPolarHBondContact CB-OD1 3.38Å; H66-N95 PolarHBondContact N-OD1 3.44Å; H66-N95 PolarHBondContact O-N 2.91Å; H66-N95 PolarHBondContact O-OD1 2.81Å; N95-E99 CarbonylContact C-O 3.49Å; N95-E99 VanDerWaalsContact CA-O 3.3Å; N95-E99 WeakPolarHBondContact CA-O 3.2Å; N95-L100 HydrophobicContact CB-CD1 3.98Å; N95-P128 HydrophobicContact CB-CB 3.84Å; N95-P128 HydrophobicContact CB-CG 4.34Å; N95-P128 PolarHBondContact ND2-O 3.05Å; N95-P128 VanDerWaalsContact ND2-O 3.09Å; N95-H131 PolarHBondContact OD1-NE2 3.14Å
96	V	93.6	Very high	87.8	Confident	1 Å²	1	41 Å²	41	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	106.5	170.2	-174.5	0	0	0	0	108.8	R45 L51 F94 R98 E99	R45-V96 HydrophobicContact CG-CB 4.12Å; R45-V96 HydrophobicContact CG-CG1 4.09Å; R45-V96 HydrophobicContact CG-CG2 4.25Å; L51-V96 HydrophobicContact CB-CG1 4.06Å; L51-V96 HydrophobicContact CD1-CG1 4.49Å; L51-V96 HydrophobicContact CD2-CG1 4.07Å; L51-V96 HydrophobicContact CG-CG1 4.44Å; F94-V96 HydrophobicContact CD2-CG2 3.84Å; F94-V96 HydrophobicContact CE2-CG2 3.97Å; V96-R98 PolarHBondContact O-N 2.93Å; V96-R98 VanDerWaalsContact O-N 3.08Å; V96-E99 PolarHBondContact N-O 2.71Å; V96-E99 PolarHBondContact O-N 3.32Å
97	G	89.6	Confident	89.9	Confident	14 Å²	14	34.5 Å²	34.5	14%	0.144	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-112.7	-174.7	0	0	0	0	0	111.3	Y127	G97-Y127 WeakPolarHBondContact O-CB 3.4Å
98	R	92.4	Very high	91.8	Very high	145 Å²	145	29.3 Å²	29.3	55%	0.547	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	1.4	-179.6	-68.6	178.4	-177	-178.3	1.8	114.1	V96 V122 Y123	V96-R98 PolarHBondContact O-N 2.93Å; V96-R98 VanDerWaalsContact O-N 3.08Å; R98-V122 WeakPolarHBondContact O-CA 3.23Å; R98-Y123 WeakPolarHBondContact CD-O 3.47Å; R98-Y123 PolarHBondContact O-N 2.79Å
99	E	94.4	Very high	93.3	Very high	37 Å²	37	28.5 Å²	28.5	17%	0.173	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	143.8	-177.2	-54.7	-172.4	122.9	0	0	110.5	R45 N95 V96 Y101 K120 R121 V122	R45-E99 VanDerWaalsContact CD-OE2 3.29Å; R45-E99 WeakPolarHBondContact CD-OE2 3.13Å; N95-E99 CarbonylContact C-O 3.49Å; N95-E99 VanDerWaalsContact CA-O 3.3Å; N95-E99 WeakPolarHBondContact CA-O 3.2Å; V96-E99 PolarHBondContact N-O 2.71Å; V96-E99 PolarHBondContact O-N 3.32Å; E99-Y101 HydrophobicContact CB-CD2 4.28Å; E99-Y101 HydrophobicContact CB-CE2 3.53Å; E99-Y101 HydrophobicContact CG-CE2 4.44Å; E99-Y101 PolarHBondContact OE1-OH 3.48Å; E99-Y101 PolarHBondContact OE2-OH 2.94Å; E99-K120 WeakPolarHBondContact OE1-CE 2.9Å; E99-K120 IonicContact OE1-NZ 3.71Å; E99-K120 PolarHBondContact OE1-NZ 3.07Å; E99-R121 CarbonylContact C-O 3.54Å; E99-R121 WeakPolarHBondContact CA-O 3.27Å; E99-V122 HydrophobicContact CG-CG2 4.35Å
100	L	95.6	Very high	94	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.7	171.4	-173	83.3	0	0	0	108.2	N95 K120 R121 Y123 L145 V147 I157	N95-L100 HydrophobicContact CB-CD1 3.98Å; L100-K120 WeakPolarHBondContact O-CA 3.08Å; L100-R121 HydrophobicContact CB-CB 4.38Å; L100-R121 PolarHBondContact N-O 3.44Å; L100-R121 PolarHBondContact O-N 2.57Å; L100-Y123 HydrophobicContact CB-CE2 4Å; L100-L145 HydrophobicContact CD2-CD2 4.36Å; L100-V147 HydrophobicContact CD2-CG2 4.07Å; L100-I157 HydrophobicContact CD2-CD1 3.95Å
101	Y	97	Very high	94	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146	-178.6	-66.5	-89.3	0	0	0	111.1	R45 P46 C93 F94 E99 Y103 P117 K120	R45-Y101 HydrophobicContact CG-CE2 4.08Å; P46-Y101 WeakPolarHBondContact CD-OH 3.4Å; P46-Y101 HydrophobicContact CG-CE1 3.93Å; C93-Y101 VanDerWaalsContact CA-O 3.27Å; C93-Y101 WeakPolarHBondContact CA-O 3.42Å; C93-Y101 PolarHBondContact SG-O 2.74Å; F94-Y101 HydrophobicContact CD2-CD2 4.32Å; F94-Y101 AromaticContact CE2-CD2 3.69Å; F94-Y101 HydrophobicContact CE2-CD2 3.69Å; F94-Y101 HydrophobicContact CE2-CG 4.07Å; F94-Y101 HydrophobicContact CZ-CD2 4.14Å; F94-Y101 HydrophobicContact CZ-CG 4.05Å; F94-Y101 PolarHBondContact N-O 2.89Å; F94-Y101 PolarHBondContact O-N 3.39Å; E99-Y101 HydrophobicContact CB-CD2 4.28Å; E99-Y101 HydrophobicContact CB-CE2 3.53Å; E99-Y101 HydrophobicContact CG-CE2 4.44Å; E99-Y101 PolarHBondContact OE1-OH 3.48Å; E99-Y101 PolarHBondContact OE2-OH 2.94Å; Y101-Y103 AromaticContact CD1-CE2 3.99Å; Y101-Y103 HydrophobicContact CD1-CE2 3.99Å; Y101-Y103 WeakPolarHBondContact CD1-OH 3.42Å; Y101-Y103 HydrophobicContact CG-CE2 4.11Å; Y101-P117 HydrophobicContact CD1-CB 4.35Å; Y101-K120 HydrophobicContact CD1-CB 4.45Å; Y101-K120 HydrophobicContact CD1-CD 4.36Å; Y101-K120 HydrophobicContact CD1-CG 4.16Å; Y101-K120 HydrophobicContact CE1-CD 3.65Å; Y101-K120 HydrophobicContact CE1-CG 3.89Å; Y101-K120 WeakPolarHBondContact OH-CE 3.42Å; Y101-K120 PolarHBondContact OH-NZ 2.87Å
102	V	95.7	Very high	94	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129	171.3	-175.6	0	0	0	0	109.4	I92 C93 I118 D119 P159 F160	I92-V102 VanDerWaalsContact O-CA 3.31Å; I92-V102 WeakPolarHBondContact O-CA 2.98Å; C93-V102 HydrophobicContact CB-CG2 4.12Å; V102-I118 HydrophobicContact CB-CB 4.5Å; V102-I118 HydrophobicContact CG1-CB 4.35Å; V102-I118 HydrophobicContact CG1-CD1 4.46Å; V102-I118 WeakPolarHBondContact O-CB 3.11Å; V102-I118 PolarHBondContact O-N 3.32Å; V102-D119 HydrophobicContact CB-CB 4.26Å; V102-D119 HydrophobicContact CG2-CB 4.31Å; V102-D119 PolarHBondContact N-O 2.48Å; V102-P159 HydrophobicContact CB-CB 4.38Å; V102-P159 HydrophobicContact CG1-CB 4.34Å; V102-P159 HydrophobicContact CG2-CB 3.83Å; V102-P159 HydrophobicContact CG2-CG 4.39Å; V102-F160 HydrophobicContact CG1-CE1 4.1Å; V102-F160 HydrophobicContact CG1-CZ 4.44Å
103	Y	95.3	Very high	93.9	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	165.5	179.1	-66.1	-86.7	0	0	0	111.7	Y43 K91 I92 F94 Y101 L114 P117	Y43-Y103 HydrophobicContact CD1-CD2 4.15Å; Y43-Y103 HydrophobicContact CD1-CG 4.22Å; Y43-Y103 HydrophobicContact CE1-CG 4.26Å; K91-Y103 WeakPolarHBondContact CA-O 3.18Å; I92-Y103 PolarHBondContact N-O 2.9Å; I92-Y103 PolarHBondContact O-N 2.81Å; F94-Y103 AromaticContact CE1-CD2 3.73Å; F94-Y103 HydrophobicContact CE1-CD2 3.73Å; F94-Y103 AromaticContact CE1-CE2 3.79Å; F94-Y103 HydrophobicContact CE1-CE2 3.79Å; F94-Y103 HydrophobicContact CZ-CD2 4.26Å; F94-Y103 AromaticContact CZ-CE2 3.83Å; F94-Y103 HydrophobicContact CZ-CE2 3.83Å; Y101-Y103 AromaticContact CD1-CE2 3.99Å; Y101-Y103 HydrophobicContact CD1-CE2 3.99Å; Y101-Y103 WeakPolarHBondContact CD1-OH 3.42Å; Y101-Y103 HydrophobicContact CG-CE2 4.11Å; Y103-L114 HydrophobicContact CE1-CD2 4.44Å; Y103-L114 PolarHBondContact OH-O 2.99Å; Y103-P117 HydrophobicContact CD1-CB 4.24Å; Y103-P117 HydrophobicContact CE1-CB 3.63Å; Y103-P117 HydrophobicContact CE1-CG 4.44Å; Y103-P117 HydrophobicContact CE2-CB 4.31Å
104	N	94.2	Very high	93.7	Very high	50 Å²	50	34.5 Å²	34.5	27%	0.267	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	137.9	157.9	-67.1	-30.9	0	0	0	108.7	Y43 K91 E106 A112 I118	Y43-N104 WeakPolarHBondContact CE1-O 3.23Å; Y43-N104 PolarHBondContact OH-O 3.17Å; K91-N104 VanDerWaalsContact CD-OD1 3.31Å; K91-N104 WeakPolarHBondContact CD-OD1 3.28Å; K91-N104 WeakPolarHBondContact CE-OD1 3.39Å; K91-N104 PolarHBondContact NZ-OD1 2.84Å; N104-E106 WeakPolarHBondContact CB-OE1 3.35Å; N104-A112 HydrophobicContact CB-CB 4.41Å; N104-I118 WeakPolarHBondContact OD1-CD1 3.39Å
105	Y	94.2	Very high	93.5	Very high	10 Å²	10	38.3 Å²	38.3	4%	0.039	21%	0.205	C	C	.	.			trans	-102.4	116.9	174.4	-176.5	-115	0	0	0	109.9	Y43 F69 E90 I92 S579 V581 T591	Y43-Y105 HydrophobicContact CD2-CD2 4.39Å; Y43-Y105 HydrophobicContact CD2-CE2 4.49Å; Y43-Y105 AromaticContact CE2-CD2 3.69Å; Y43-Y105 HydrophobicContact CE2-CD2 3.69Å; Y43-Y105 AromaticContact CE2-CE2 3.96Å; Y43-Y105 HydrophobicContact CE2-CE2 3.96Å; F69-Y105 HydrophobicContact CD1-CD1 4.15Å; F69-Y105 HydrophobicContact CD1-CG 4.18Å; F69-Y105 AromaticContact CE1-CD1 3.69Å; F69-Y105 HydrophobicContact CE1-CD1 3.69Å; F69-Y105 AromaticContact CE1-CD2 3.69Å; F69-Y105 HydrophobicContact CE1-CD2 3.69Å; F69-Y105 AromaticContact CE1-CE1 3.89Å; F69-Y105 HydrophobicContact CE1-CE1 3.89Å; F69-Y105 AromaticContact CE1-CE2 3.92Å; F69-Y105 HydrophobicContact CE1-CE2 3.92Å; F69-Y105 AromaticContact CE1-CG 3.57Å; F69-Y105 HydrophobicContact CE1-CG 3.57Å; F69-Y105 HydrophobicContact CZ-CD2 4.41Å; F69-Y105 HydrophobicContact CZ-CE1 4.45Å; F69-Y105 HydrophobicContact CZ-CE2 4.23Å; E90-Y105 HydrophobicContact CB-CD1 4.25Å; E90-Y105 PolarHBondContact O-N 2.92Å; E90-Y105 WeakPolarHBondContact OE2-CD1 3.47Å; I92-Y105 HydrophobicContact CB-CD2 4.3Å; I92-Y105 HydrophobicContact CB-CG 4.45Å; I92-Y105 HydrophobicContact CD1-CD2 4.21Å; I92-Y105 HydrophobicContact CG2-CD2 4.35Å; Y105-S579 PolarHBondContact OH-OG 2.94Å; Y105-V581 VanDerWaalsContact OH-CG2 3.32Å; Y105-V581 WeakPolarHBondContact OH-CG2 3.41Å; Y105-T591 WeakPolarHBondContact OH-CG2 3.33Å; Y105-T591 PolarHBondContact OH-OG1 3.48Å
106	E	92.6	Very high	93.4	Very high	86 Å²	86	47.7 Å²	47.7	40%	0.402	24%	0.24	S	C	.	.			trans	-97	15.1	-175.6	-53.4	-61.7	160	0	0	113	Y43 N104 V108 A109 K110 A112	Y43-E106 PolarHBondContact OH-N 2.92Å; N104-E106 WeakPolarHBondContact CB-OE1 3.35Å; E106-V108 PolarHBondContact O-N 3.42Å; E106-A109 HydrophobicContact CB-CB 4.26Å; E106-A109 WeakPolarHBondContact O-CA 3.16Å; E106-A109 WeakPolarHBondContact O-CB 3.42Å; E106-A109 PolarHBondContact O-N 3.36Å; E106-K110 WeakPolarHBondContact CB-O 3.34Å; E106-A112 HydrophobicContact CG-CB 4.46Å
107	G	91.4	Very high	93.5	Very high	5 Å²	5	49.2 Å²	49.2	5%	0.052	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	-130.8	179.9	0	0	0	0	0	113.1	S41 A109 D578	S41-G107 WeakPolarHBondContact CB-O 3.3Å; G107-A109 VanDerWaalsContact C-N 3.26Å; G107-A109 PolarHBondContact O-N 3.17Å; G107-D578 WeakPolarHBondContact CA-OD2 3.27Å
108	V	91.6	Very high	93.6	Very high	20 Å²	20	50.7 Å²	50.7	12%	0.121	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.7	173.8	-65.3	0	0	0	0	114.9	M38 S41 E106 D578 A593 H597	M38-V108 WeakPolarHBondContact CE-O 3.29Å; S41-V108 PolarHBondContact OG-O 3.19Å; S41-V108 VanDerWaalsContact OG-O 3.13Å; E106-V108 PolarHBondContact O-N 3.42Å; V108-D578 HydrophobicContact CG1-CB 4.28Å; V108-D578 PolarHBondContact N-OD2 3.05Å; V108-A593 HydrophobicContact CB-CB 4.49Å; V108-A593 HydrophobicContact CG1-CB 3.68Å; V108-H597 WeakPolarHBondContact CG2-O 3.46Å
109	A	91.9	Very high	93.6	Very high	53 Å²	53	44.5 Å²	44.5	44%	0.438	23%	0.232	S	C	.	.	S	Bend	trans	-76.9	175.5	174.4	0	0	0	0	0	111.1	S41 E106 G107 A111	S41-A109 VanDerWaalsContact CB-O 3.32Å; S41-A109 WeakPolarHBondContact CB-O 3.5Å; S41-A109 PolarHBondContact OG-O 3.22Å; E106-A109 HydrophobicContact CB-CB 4.26Å; E106-A109 WeakPolarHBondContact O-CA 3.16Å; E106-A109 WeakPolarHBondContact O-CB 3.42Å; E106-A109 PolarHBondContact O-N 3.36Å; G107-A109 VanDerWaalsContact C-N 3.26Å; G107-A109 PolarHBondContact O-N 3.17Å; A109-A111 PolarHBondContact O-N 3.31Å
110	K	92.5	Very high	93.6	Very high	161 Å²	161	47 Å²	47	70%	0.7	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-59.4	129.3	176.8	-177.1	-178	176	-175.6	0	109.2	E106	E106-K110 WeakPolarHBondContact CB-O 3.34Å
111	A	92.4	Very high	93.6	Very high	14 Å²	14	49.5 Å²	49.5	12%	0.116	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-55.8	151.9	178.9	0	0	0	0	0	111.7	L40 Y43 A109	L40-A111 PolarHBondContact O-N 3.46Å; Y43-A111 HydrophobicContact CD2-CB 4.23Å; Y43-A111 HydrophobicContact CE1-CB 4.16Å; Y43-A111 HydrophobicContact CE2-CB 3.72Å; Y43-A111 WeakPolarHBondContact OH-CA 3.14Å; A109-A111 PolarHBondContact O-N 3.31Å
112	A	92.6	Very high	93.4	Very high	21 Å²	21	53.4 Å²	53.4	17%	0.174	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-55.3	157.1	172.5	0	0	0	0	0	111.5	Y43 N104 E106 L114	Y43-A112 HydrophobicContact CE1-CB 4.27Å; Y43-A112 PolarHBondContact OH-N 3.29Å; N104-A112 HydrophobicContact CB-CB 4.41Å; E106-A112 HydrophobicContact CG-CB 4.46Å; A112-L114 PolarHBondContact O-N 2.59Å
113	D	93.2	Very high	93.3	Very high	89 Å²	89	54.6 Å²	54.6	48%	0.476	28%	0.281	S	S	.	.			trans	-61	106.6	177.3	-179.6	1.7	0	0	0	110.8	S115 R116	D113-S115 PolarHBondContact O-N 3.21Å; D113-S115 WeakPolarHBondContact OD1-CB 3.31Å; D113-S115 PolarHBondContact OD1-N 2.04Å; D113-S115 PolarHBondContact OD1-OG 3.01Å; D113-S115 PolarHBondContact OD2-OG 3.04Å; D113-R116 PolarHBondContact O-N 3.35Å; D113-R116 IonicContact OD2-NE 3.89Å
114	L	93.9	Very high	93	Very high	12 Å²	12	64.1 Å²	64.1	6%	0.063	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.4	-179.3	-58.1	-173.4	0	0	0	112.9	Y43 P46 R48 Y103 A112 R116	Y43-L114 HydrophobicContact CD1-CD2 3.87Å; Y43-L114 HydrophobicContact CE1-CD2 4.48Å; Y43-L114 HydrophobicContact CG-CD2 4.47Å; P46-L114 WeakPolarHBondContact CB-O 3.06Å; P46-L114 VanDerWaalsContact CG-O 3.25Å; P46-L114 WeakPolarHBondContact CG-O 3.29Å; R48-L114 VanDerWaalsContact NH2-CD1 3.26Å; Y103-L114 HydrophobicContact CE1-CD2 4.44Å; Y103-L114 PolarHBondContact OH-O 2.99Å; A112-L114 PolarHBondContact O-N 2.59Å; L114-R116 PolarHBondContact O-N 3.48Å
115	S	94	Very high	92.6	Very high	80 Å²	80	65.2 Å²	65.2	56%	0.559	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.9	174.6	74	0	0	0	0	113.3	D113 P117	D113-S115 PolarHBondContact O-N 3.21Å; D113-S115 WeakPolarHBondContact OD1-CB 3.31Å; D113-S115 PolarHBondContact OD1-N 2.04Å; D113-S115 PolarHBondContact OD1-OG 3.01Å; D113-S115 PolarHBondContact OD2-OG 3.04Å; S115-P117 VanDerWaalsContact C-CD 3.5Å; S115-P117 WeakPolarHBondContact O-CD 3.5Å
116	R	94.1	Very high	92.5	Very high	197 Å²	197	65.8 Å²	65.8	74%	0.743	35%	0.349	S	S	*	.	S	Bend	trans	-126.6	68.5	-173.5	-61.7	-178.6	-175.8	-166.4	-0.3	112.2	D113 L114	D113-R116 PolarHBondContact O-N 3.35Å; D113-R116 IonicContact OD2-NE 3.89Å; L114-R116 PolarHBondContact O-N 3.48Å
117	P	94	Very high	92.6	Very high	33 Å²	33	64.2 Å²	64.2	21%	0.214	34%	0.34	C	S	.	.			trans	-62.3	147	171.4	26.3	-32.8	0	0	0	111.5	Y101 Y103 S115 K120	Y101-P117 HydrophobicContact CD1-CB 4.35Å; Y103-P117 HydrophobicContact CD1-CB 4.24Å; Y103-P117 HydrophobicContact CE1-CB 3.63Å; Y103-P117 HydrophobicContact CE1-CG 4.44Å; Y103-P117 HydrophobicContact CE2-CB 4.31Å; S115-P117 VanDerWaalsContact C-CD 3.5Å; S115-P117 WeakPolarHBondContact O-CD 3.5Å; P117-K120 HydrophobicContact CB-CB 4.39Å; P117-K120 HydrophobicContact CG-CB 3.9Å
118	I	92.5	Very high	92.8	Very high	45 Å²	45	64 Å²	64	23%	0.231	34%	0.338	C	S	.	.	S	Bend	trans	-61.3	-51.8	170.6	-60.8	173.3	0	0	0	108.6	K91 V102 N104 F160 K162	K91-I118 HydrophobicContact CD-CD1 3.8Å; V102-I118 HydrophobicContact CB-CB 4.5Å; V102-I118 HydrophobicContact CG1-CB 4.35Å; V102-I118 HydrophobicContact CG1-CD1 4.46Å; V102-I118 WeakPolarHBondContact O-CB 3.11Å; V102-I118 PolarHBondContact O-N 3.32Å; N104-I118 WeakPolarHBondContact OD1-CD1 3.39Å; I118-F160 HydrophobicContact CD1-CE1 4.4Å; I118-F160 HydrophobicContact CG2-CD1 3.99Å; I118-F160 HydrophobicContact CG2-CE1 4.45Å; I118-K162 VanDerWaalsContact O-CE 3.28Å; I118-K162 WeakPolarHBondContact O-CE 3.3Å; I118-K162 PolarHBondContact O-NZ 3.3Å
119	D	93	Very high	93.1	Very high	15 Å²	15	63.5 Å²	63.5	8%	0.08	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143	172.1	-162.8	18.8	0	0	0	110.9	V102 R121 P159	V102-D119 HydrophobicContact CB-CB 4.26Å; V102-D119 HydrophobicContact CG2-CB 4.31Å; V102-D119 PolarHBondContact N-O 2.48Å; D119-R121 IonicContact OD2-CZ 3.42Å; D119-R121 IonicContact OD2-NE 2.81Å; D119-R121 PolarHBondContact OD2-NE 3Å; D119-R121 IonicContact OD2-NH2 2.65Å; D119-R121 PolarHBondContact OD2-NH2 3.1Å; D119-P159 HydrophobicContact CB-CB 3.92Å
120	K	94.5	Very high	93.3	Very high	89 Å²	89	61.1 Å²	61.1	39%	0.387	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.6	173.2	177.1	-179.5	176.1	161.1	0	108.4	E99 L100 Y101 P117	E99-K120 WeakPolarHBondContact OE1-CE 2.9Å; E99-K120 IonicContact OE1-NZ 3.71Å; E99-K120 PolarHBondContact OE1-NZ 3.07Å; L100-K120 WeakPolarHBondContact O-CA 3.08Å; Y101-K120 HydrophobicContact CD1-CB 4.45Å; Y101-K120 HydrophobicContact CD1-CD 4.36Å; Y101-K120 HydrophobicContact CD1-CG 4.16Å; Y101-K120 HydrophobicContact CE1-CD 3.65Å; Y101-K120 HydrophobicContact CE1-CG 3.89Å; Y101-K120 WeakPolarHBondContact OH-CE 3.42Å; Y101-K120 PolarHBondContact OH-NZ 2.87Å; P117-K120 HydrophobicContact CB-CB 4.39Å; P117-K120 HydrophobicContact CG-CB 3.9Å
121	R	94.1	Very high	93.6	Very high	55 Å²	55	53.5 Å²	53.5	21%	0.208	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.6	176	-57.1	-165.5	-178.3	-153.9	1.5	111.4	E99 L100 D119 Y123	E99-R121 CarbonylContact C-O 3.54Å; E99-R121 WeakPolarHBondContact CA-O 3.27Å; L100-R121 HydrophobicContact CB-CB 4.38Å; L100-R121 PolarHBondContact N-O 3.44Å; L100-R121 PolarHBondContact O-N 2.57Å; D119-R121 IonicContact OD2-CZ 3.42Å; D119-R121 IonicContact OD2-NE 2.81Å; D119-R121 PolarHBondContact OD2-NE 3Å; D119-R121 IonicContact OD2-NH2 2.65Å; D119-R121 PolarHBondContact OD2-NH2 3.1Å; R121-Y123 HydrophobicContact CB-CE2 3.95Å; R121-Y123 WeakPolarHBondContact CD-OH 3.31Å
122	V	94.4	Very high	93.8	Very high	85 Å²	85	53.6 Å²	53.6	52%	0.515	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.7	177.7	-177	0	0	0	0	108.7	R98 E99	R98-V122 WeakPolarHBondContact O-CA 3.23Å; E99-V122 HydrophobicContact CG-CG2 4.35Å
123	Y	93.2	Very high	93.9	Very high	26 Å²	26	52.6 Å²	52.6	10%	0.102	27%	0.272	C	S	.	.			trans	-98.7	120.5	-176.1	-61.6	-78.5	0	0	0	111.2	R98 L100 R121 T126 P128 F149 Q155	R98-Y123 WeakPolarHBondContact CD-O 3.47Å; R98-Y123 PolarHBondContact O-N 2.79Å; L100-Y123 HydrophobicContact CB-CE2 4Å; R121-Y123 HydrophobicContact CB-CE2 3.95Å; R121-Y123 WeakPolarHBondContact CD-OH 3.31Å; Y123-T126 WeakPolarHBondContact CB-O 3.4Å; Y123-P128 HydrophobicContact CD2-CG 3.52Å; Y123-P128 HydrophobicContact CE2-CG 3.58Å; Y123-F149 AromaticContact CD1-CE1 3.57Å; Y123-F149 HydrophobicContact CD1-CE1 3.57Å; Y123-F149 AromaticContact CD1-CZ 3.91Å; Y123-F149 HydrophobicContact CD1-CZ 3.91Å; Y123-F149 AromaticContact CD2-CE1 3.98Å; Y123-F149 HydrophobicContact CD2-CE1 3.98Å; Y123-F149 AromaticContact CE1-CE1 3.66Å; Y123-F149 HydrophobicContact CE1-CE1 3.66Å; Y123-F149 AromaticContact CE1-CZ 3.52Å; Y123-F149 HydrophobicContact CE1-CZ 3.52Å; Y123-F149 HydrophobicContact CE2-CE1 4.04Å; Y123-F149 HydrophobicContact CE2-CZ 4.27Å; Y123-F149 AromaticContact CG-CE1 3.74Å; Y123-F149 HydrophobicContact CG-CE1 3.74Å; Y123-F149 HydrophobicContact CG-CZ 4.44Å; Y123-F149 AromaticContact CZ-CE1 3.89Å; Y123-F149 AromaticContact CZ-CZ 3.71Å; Y123-Q155 PolarHBondContact OH-OE1 2.64Å; Y123-Q155 VanDerWaalsContact OH-OE1 3.11Å
124	K	88.2	Confident	93.8	Very high	201 Å²	201	48.6 Å²	48.6	87%	0.874	25%	0.251	S	S	*	.	S	Bend	trans	-95.6	112.9	174.5	-63.3	179.9	-177.4	177.3	0	108.4
125	G	86.9	Confident	93.4	Very high	72 Å²	72	53.2 Å²	53.2	74%	0.742	27%	0.272	S	S	*	.	S	Bend	trans	112.9	-38.5	172.2	0	0	0	0	0	115
126	T	92.2	Very high	92.6	Very high	23 Å²	23	51.5 Å²	51.5	14%	0.141	26%	0.26	C	S	.	.	S	Bend	trans	-127.3	174.6	170	-173.8	0	0	0	0	109.8	Y123 F149 S150 A151	Y123-T126 WeakPolarHBondContact CB-O 3.4Å; T126-F149 HydrophobicContact CG2-CB 3.99Å; T126-F149 HydrophobicContact CG2-CD1 3.54Å; T126-F149 HydrophobicContact CG2-CE1 4.31Å; T126-F149 HydrophobicContact CG2-CG 3.94Å; T126-S150 PolarHBondContact OG1-N 2.99Å; T126-S150 PolarHBondContact OG1-OG 3.46Å; T126-A151 PolarHBondContact OG1-N 3.11Å
127	Y	93.7	Very high	91.6	Very high	52 Å²	52	43.1 Å²	43.1	20%	0.204	23%	0.232	C	C	.	.			trans	-135.2	145.7	179.5	52.5	-100	0	0	0	110.7	G61 A63 G97 T129 F149 S150	G61-Y127 PolarHBondContact O-OH 2.88Å; A63-Y127 HydrophobicContact CB-CD2 3.31Å; A63-Y127 HydrophobicContact CB-CE2 3.41Å; A63-Y127 VanDerWaalsContact CB-CE2 3.41Å; A63-Y127 HydrophobicContact CB-CG 4.47Å; G97-Y127 WeakPolarHBondContact O-CB 3.4Å; Y127-T129 HydrophobicContact CD2-CG2 4.26Å; Y127-T129 HydrophobicContact CE2-CG2 4.16Å; Y127-F149 WeakPolarHBondContact O-CA 3.35Å; Y127-S150 WeakPolarHBondContact CD1-OG 3.45Å; Y127-S150 WeakPolarHBondContact CE1-OG 3.42Å; Y127-S150 PolarHBondContact N-OG 3.39Å; Y127-S150 PolarHBondContact O-N 2.78Å; Y127-S150 VanDerWaalsContact O-N 3.07Å
128	P	96.6	Very high	90.1	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	141.8	174.2	-21.7	33.2	0	0	0	111.6	A63 N95 Y123 V147 G148 F149	A63-P128 WeakPolarHBondContact CB-O 3.5Å; N95-P128 HydrophobicContact CB-CB 3.84Å; N95-P128 HydrophobicContact CB-CG 4.34Å; N95-P128 PolarHBondContact ND2-O 3.05Å; N95-P128 VanDerWaalsContact ND2-O 3.09Å; Y123-P128 HydrophobicContact CD2-CG 3.52Å; Y123-P128 HydrophobicContact CE2-CG 3.58Å; P128-V147 HydrophobicContact CB-CG1 3.89Å; P128-V147 HydrophobicContact CG-CG1 4.28Å; P128-G148 CarbonylContact C-O 3.59Å; P128-G148 WeakPolarHBondContact CA-O 3.32Å; P128-F149 HydrophobicContact CG-CE1 4.07Å
129	T	96.5	Very high	89	Confident	10 Å²	10	47.8 Å²	47.8	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-38.2	-178.4	52.4	0	0	0	0	112.4	A63 Y127 G148 V181	A63-T129 HydrophobicContact CB-CG2 4.47Å; Y127-T129 HydrophobicContact CD2-CG2 4.26Å; Y127-T129 HydrophobicContact CE2-CG2 4.16Å; T129-G148 PolarHBondContact N-O 3.32Å; T129-G148 VanDerWaalsContact OG1-C 3.23Å; T129-G148 PolarHBondContact OG1-O 2.99Å; T129-V181 WeakPolarHBondContact CB-O 3.35Å; T129-V181 PolarHBondContact OG1-O 3.02Å; T129-V181 VanDerWaalsContact OG1-O 3.06Å
130	C	97.1	Very high	87.9	Confident	4 Å²	4	48.4 Å²	48.4	3%	0.027	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	163	177	55.7	0	0	0	0	109.1	G148	C130-G148 PolarHBondContact O-N 3.34Å
131	H	98	Very high	86.6	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	152.8	178.6	44.4	71.4	0	0	0	111.9	H66 S68 C93 N95 L145 L146 V147	H66-H131 PolarHBondContact CE1-O 3.36Å; H66-H131 AromaticContact ND1-CE1 3.46Å; H66-H131 PolarHBondContact ND1-CE1 2.63Å; H66-H131 AromaticContact ND1-ND1 3.51Å; H66-H131 AromaticContact ND1-NE2 3.92Å; H66-H131 PolarHBondContact O-CE1 2.94Å; H66-H131 PolarHBondContact O-NE2 3.13Å; S68-H131 PolarHBondContact OG-CE1 3.17Å; S68-H131 PolarHBondContact OG-ND1 3.48Å; S68-H131 PolarHBondContact OG-O 3.17Å; C93-H131 PolarHBondContact O-CE1 2.8Å; N95-H131 PolarHBondContact OD1-NE2 3.14Å; H131-L145 HydrophobicContact CB-CD1 4.03Å; H131-L146 CarbonylContact C-O 3.58Å; H131-L146 WeakPolarHBondContact CA-O 3.46Å; H131-L146 WeakPolarHBondContact CB-O 3.26Å; H131-V147 HydrophobicContact CB-CG2 4.27Å
132	D	97	Very high	85.8	Confident	15 Å²	15	51.1 Å²	51.1	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	131.2	-176.8	-160.7	51.3	0	0	0	111.9	L146 L184 K185 W186	D132-L146 PolarHBondContact N-O 3.3Å; D132-L146 PolarHBondContact O-N 2.95Å; D132-L184 HydrophobicContact CB-CD1 3.67Å; D132-K185 HydrophobicContact CB-CD 4.2Å; D132-K185 VanDerWaalsContact CG-CD 3.4Å; D132-K185 WeakPolarHBondContact OD1-CD 3.2Å; D132-K185 IonicContact OD1-NZ 2.83Å; D132-K185 PolarHBondContact OD1-NZ 3Å; D132-K185 WeakPolarHBondContact OD2-CA 3.31Å; D132-K185 VanDerWaalsContact OD2-CD 3.3Å; D132-K185 WeakPolarHBondContact OD2-CD 3.5Å; D132-W186 PolarHBondContact O-NE1 3.05Å; D132-W186 PolarHBondContact OD2-N 2.94Å
133	F	94.7	Very high	85.3	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	143.5	175.6	-77.5	-73.1	0	0	0	110.7	V70 C93 Q135 L145 P159 F160 W186	V70-F133 HydrophobicContact CB-CB 3.84Å; V70-F133 HydrophobicContact CB-CD1 4.19Å; V70-F133 HydrophobicContact CB-CD2 3.85Å; V70-F133 HydrophobicContact CB-CE2 4.41Å; V70-F133 HydrophobicContact CB-CG 3.72Å; V70-F133 HydrophobicContact CG1-CB 4.42Å; V70-F133 HydrophobicContact CG1-CD1 3.82Å; V70-F133 HydrophobicContact CG1-CD2 3.85Å; V70-F133 HydrophobicContact CG1-CE1 3.9Å; V70-F133 HydrophobicContact CG1-CE2 3.93Å; V70-F133 HydrophobicContact CG1-CG 3.79Å; V70-F133 HydrophobicContact CG1-CZ 3.96Å; V70-F133 HydrophobicContact CG2-CB 4.27Å; C93-F133 HydrophobicContact CB-CE2 3.49Å; C93-F133 VanDerWaalsContact CB-CE2 3.49Å; C93-F133 HydrophobicContact CB-CZ 3.63Å; F133-Q135 PolarHBondContact O-N 2.9Å; F133-Q135 VanDerWaalsContact O-N 3.08Å; F133-L145 HydrophobicContact CD1-CB 3.93Å; F133-L145 HydrophobicContact CD1-CD1 3.86Å; F133-L145 HydrophobicContact CD1-CG 4.38Å; F133-L145 HydrophobicContact CD2-CD1 4.15Å; F133-L145 HydrophobicContact CE1-CB 3.89Å; F133-L145 HydrophobicContact CE1-CD1 3.94Å; F133-L145 HydrophobicContact CE1-CD2 4.05Å; F133-L145 HydrophobicContact CE1-CG 4.18Å; F133-L145 HydrophobicContact CE2-CD1 4.21Å; F133-L145 HydrophobicContact CG-CD1 3.98Å; F133-L145 HydrophobicContact CZ-CD1 4.11Å; F133-L145 HydrophobicContact CZ-CD2 4.12Å; F133-P159 HydrophobicContact CE1-CG 4.04Å; F133-F160 HydrophobicContact CE1-CE2 4.21Å; F133-F160 HydrophobicContact CE1-CZ 4.21Å; F133-W186 VanDerWaalsContact C-CD1 3.43Å; F133-W186 VanDerWaalsContact O-CD1 3.29Å
134	N	91	Very high	85.2	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.027	26%	0.264	C	S	.	.			trans	-75.4	96.2	171.9	-165.9	-18.1	0	0	0	110	S136 S137 E144 W186 K191	N134-S136 PolarHBondContact O-N 3.04Å; N134-S136 WeakPolarHBondContact OD1-CB 3.41Å; N134-S136 PolarHBondContact OD1-N 3.24Å; N134-S136 PolarHBondContact OD1-OG 3.47Å; N134-S137 PolarHBondContact O-N 2.8Å; N134-E144 HydrophobicContact CB-CB 4.28Å; N134-E144 PolarHBondContact N-O 2.89Å; N134-W186 HydrophobicContact CB-CD2 3.93Å; N134-W186 HydrophobicContact CB-CG 4.23Å; N134-W186 HydrophobicContact CB-CH2 4.43Å; N134-W186 HydrophobicContact CB-CZ2 3.82Å; N134-K191 PolarHBondContact ND2-O 3.43Å; N134-K191 VanDerWaalsContact ND2-O 3.17Å
135	Q	85.2	Confident	85.5	Confident	110 Å²	110	38 Å²	38	51%	0.514	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-14	-178.8	-55.1	-62.3	-21.5	0	0	113.2	F69 F133 S137	F69-Q135 PolarHBondContact O-NE2 2.9Å; F133-Q135 PolarHBondContact O-N 2.9Å; F133-Q135 VanDerWaalsContact O-N 3.08Å; Q135-S137 VanDerWaalsContact C-N 3.27Å; Q135-S137 PolarHBondContact O-N 2.79Å
136	S	77.4	Confident	86	Confident	44 Å²	44	34.6 Å²	34.6	31%	0.308	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.8	178.5	73.7	0	0	0	0	113.7	N134 N138	N134-S136 PolarHBondContact O-N 3.04Å; N134-S136 WeakPolarHBondContact OD1-CB 3.41Å; N134-S136 PolarHBondContact OD1-N 3.24Å; N134-S136 PolarHBondContact OD1-OG 3.47Å; S136-N138 PolarHBondContact O-N 2.79Å
137	S	72.5	Confident	86.2	Confident	21 Å²	21	33.5 Å²	33.5	15%	0.147	18%	0.18	C	C	.	.			trans	-86.7	104.9	-179.5	-71.2	0	0	0	0	111.2	N134 Q135 S139 L142	N134-S137 PolarHBondContact O-N 2.8Å; Q135-S137 VanDerWaalsContact C-N 3.27Å; Q135-S137 PolarHBondContact O-N 2.79Å; S137-S139 PolarHBondContact O-N 2.85Å; S137-S139 VanDerWaalsContact O-N 3.13Å; S137-L142 WeakPolarHBondContact CB-O 3.47Å; S137-L142 PolarHBondContact OG-O 2.89Å
138	N	63.4	Low	86.4	Confident	136 Å²	136	31 Å²	31	73%	0.727	17%	0.17	S	C	*	.			trans	-81.2	21.4	-179.3	-64.6	-22.6	0	0	0	114.4	P73 S136	P73-N138 VanDerWaalsContact CG-O 3.32Å; P73-N138 WeakPolarHBondContact CG-O 3.45Å; S136-N138 PolarHBondContact O-N 2.79Å
139	S	69.8	Low	86.5	Confident	39 Å²	39	31.2 Å²	31.2	27%	0.273	17%	0.171	S	C	.	.	S	Bend	trans	-145.8	140.7	-177.9	178.9	0	0	0	0	111.1	S137 D141 L142 C143	S137-S139 PolarHBondContact O-N 2.85Å; S137-S139 VanDerWaalsContact O-N 3.13Å; S139-D141 PolarHBondContact O-N 2.86Å; S139-D141 PolarHBondContact OG-N 2.8Å; S139-L142 CarbonylContact O-C 3.48Å; S139-L142 PolarHBondContact O-N 2.85Å; S139-C143 PolarHBondContact O-N 2.82Å; S139-C143 VanDerWaalsContact O-N 3.1Å
140	V	68.8	Low	86.4	Confident	29 Å²	29	31.9 Å²	31.9	18%	0.176	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-54.3	-36.4	173.7	-174.6	0	0	0	0	111.1	L72 L142 F160	L72-V140 HydrophobicContact CB-CG2 4.32Å; L72-V140 HydrophobicContact CD1-CG2 4.08Å; V140-L142 VanDerWaalsContact C-N 3.27Å; V140-L142 PolarHBondContact O-N 3.49Å; V140-F160 HydrophobicContact CG1-CB 3.57Å; V140-F160 HydrophobicContact CG1-CD1 4.36Å; V140-F160 HydrophobicContact CG1-CD2 4.31Å; V140-F160 HydrophobicContact CG1-CG 3.82Å
141	D	68.7	Low	86.3	Confident	88 Å²	88	32.6 Å²	32.6	47%	0.471	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-69.1	-21.4	179.5	-84.7	-47.3	0	0	0	114	S139 N158 K161	S139-D141 PolarHBondContact O-N 2.86Å; S139-D141 PolarHBondContact OG-N 2.8Å; D141-N158 PolarHBondContact O-ND2 3.35Å; D141-K161 WeakPolarHBondContact OD1-CD 3.41Å; D141-K161 IonicContact OD1-NZ 3.54Å; D141-K161 PolarHBondContact OD1-NZ 3.49Å
142	L	75.8	Confident	86.2	Confident	112 Å²	112	32.5 Å²	32.5	59%	0.586	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-117.8	6.2	-173.7	-61.1	177	0	0	0	112.7	S137 S139 V140 E144	S137-L142 WeakPolarHBondContact CB-O 3.47Å; S137-L142 PolarHBondContact OG-O 2.89Å; S139-L142 CarbonylContact O-C 3.48Å; S139-L142 PolarHBondContact O-N 2.85Å; V140-L142 VanDerWaalsContact C-N 3.27Å; V140-L142 PolarHBondContact O-N 3.49Å; L142-E144 PolarHBondContact O-N 3.07Å
143	C	84.5	Confident	86.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.			trans	-77.4	94.4	-179.2	-171.6	0	0	0	0	110.2	L72 S139 F160	L72-C143 HydrophobicContact CD1-CB 4.43Å; L72-C143 HydrophobicContact CD2-CB 4Å; S139-C143 PolarHBondContact O-N 2.82Å; S139-C143 VanDerWaalsContact O-N 3.1Å; C143-F160 HydrophobicContact CB-CD2 3.86Å; C143-F160 HydrophobicContact CB-CE2 3.66Å
144	E	90.8	Very high	86.3	Confident	37 Å²	37	33.3 Å²	33.3	17%	0.173	19%	0.185	C	C	.	.			trans	-84.2	139.9	179.3	-65.4	-178	145.7	0	0	111.4	N134 L142 L156 W186	N134-E144 HydrophobicContact CB-CB 4.28Å; N134-E144 PolarHBondContact N-O 2.89Å; L142-E144 PolarHBondContact O-N 3.07Å; E144-L156 HydrophobicContact CB-CD1 3.77Å; E144-L156 HydrophobicContact CG-CD1 4.31Å; E144-W186 HydrophobicContact CB-CH2 4.39Å; E144-W186 HydrophobicContact CB-CZ2 3.93Å; E144-W186 VanDerWaalsContact OE2-CH2 3.29Å; E144-W186 WeakPolarHBondContact OE2-CH2 3.45Å
145	L	94.5	Very high	86.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.2	177.2	176	62.2	0	0	0	109	C93 L100 H131 F133 V147 I157 P159	C93-L145 HydrophobicContact CB-CD2 4.42Å; L100-L145 HydrophobicContact CD2-CD2 4.36Å; H131-L145 HydrophobicContact CB-CD1 4.03Å; F133-L145 HydrophobicContact CD1-CB 3.93Å; F133-L145 HydrophobicContact CD1-CD1 3.86Å; F133-L145 HydrophobicContact CD1-CG 4.38Å; F133-L145 HydrophobicContact CD2-CD1 4.15Å; F133-L145 HydrophobicContact CE1-CB 3.89Å; F133-L145 HydrophobicContact CE1-CD1 3.94Å; F133-L145 HydrophobicContact CE1-CD2 4.05Å; F133-L145 HydrophobicContact CE1-CG 4.18Å; F133-L145 HydrophobicContact CE2-CD1 4.21Å; F133-L145 HydrophobicContact CG-CD1 3.98Å; F133-L145 HydrophobicContact CZ-CD1 4.11Å; F133-L145 HydrophobicContact CZ-CD2 4.12Å; L145-V147 HydrophobicContact CD2-CG2 4.39Å; L145-V147 HydrophobicContact CG-CG2 4.12Å; L145-I157 HydrophobicContact CB-CG1 3.88Å; L145-I157 HydrophobicContact CD2-CD1 3.95Å; L145-I157 HydrophobicContact CD2-CG1 4.13Å; L145-I157 HydrophobicContact CG-CD1 4.45Å; L145-I157 HydrophobicContact CG-CG1 4.16Å; L145-I157 PolarHBondContact N-O 3.04Å; L145-I157 PolarHBondContact O-N 3.21Å; L145-P159 HydrophobicContact CB-CG 4.47Å; L145-P159 HydrophobicContact CD2-CG 4.38Å
146	L	97	Very high	87.1	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	137.9	169.5	-71.4	168.6	0	0	0	109.7	H131 D132 I154 Q155 L156 L184 W186 F194	H131-L146 CarbonylContact C-O 3.58Å; H131-L146 WeakPolarHBondContact CA-O 3.46Å; H131-L146 WeakPolarHBondContact CB-O 3.26Å; D132-L146 PolarHBondContact N-O 3.3Å; D132-L146 PolarHBondContact O-N 2.95Å; L146-I154 HydrophobicContact CD2-CG2 3.95Å; L146-Q155 CarbonylContact C-O 3.41Å; L146-Q155 WeakPolarHBondContact CA-O 3.44Å; L146-L156 HydrophobicContact CD2-CB 4.21Å; L146-L156 HydrophobicContact CD2-CD1 3.63Å; L146-L156 HydrophobicContact CG-CD1 4.08Å; L146-L184 HydrophobicContact CB-CD1 3.37Å; L146-L184 HydrophobicContact CB-CD2 4.41Å; L146-L184 HydrophobicContact CD1-CD1 4.12Å; L146-L184 HydrophobicContact CG-CD1 4.39Å; L146-W186 HydrophobicContact CD1-CD2 3.78Å; L146-W186 HydrophobicContact CD1-CE3 4.37Å; L146-W186 HydrophobicContact CD1-CG 4.19Å; L146-W186 HydrophobicContact CD1-CH2 4.31Å; L146-W186 HydrophobicContact CD1-CZ2 3.69Å; L146-W186 HydrophobicContact CD2-CZ2 4.24Å; L146-W186 HydrophobicContact CG-CH2 4.38Å; L146-W186 HydrophobicContact CG-CZ2 3.58Å; L146-F194 HydrophobicContact CD1-CB 3.45Å; L146-F194 VanDerWaalsContact CD1-CB 3.45Å; L146-F194 HydrophobicContact CD1-CD1 3.98Å; L146-F194 HydrophobicContact CD1-CD2 3.81Å; L146-F194 HydrophobicContact CD1-CG 3.49Å; L146-F194 VanDerWaalsContact CD1-CG 3.49Å; L146-F194 HydrophobicContact CD2-CD1 4.22Å; L146-F194 HydrophobicContact CD2-CD2 4.33Å; L146-F194 HydrophobicContact CD2-CE1 4.13Å; L146-F194 HydrophobicContact CD2-CE2 4.23Å; L146-F194 HydrophobicContact CD2-CG 4.31Å; L146-F194 HydrophobicContact CD2-CZ 4.12Å
147	V	97.7	Very high	87.8	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.2	177.3	-172.7	0	0	0	0	109.5	L100 P128 H131 L145 F149 I154 Q155 I157	L100-V147 HydrophobicContact CD2-CG2 4.07Å; P128-V147 HydrophobicContact CB-CG1 3.89Å; P128-V147 HydrophobicContact CG-CG1 4.28Å; H131-V147 HydrophobicContact CB-CG2 4.27Å; L145-V147 HydrophobicContact CD2-CG2 4.39Å; L145-V147 HydrophobicContact CG-CG2 4.12Å; V147-F149 HydrophobicContact CB-CE2 4.02Å; V147-F149 HydrophobicContact CB-CZ 4.11Å; V147-F149 HydrophobicContact CG1-CE1 4.17Å; V147-F149 HydrophobicContact CG1-CE2 3.86Å; V147-F149 HydrophobicContact CG1-CZ 3.61Å; V147-F149 WeakPolarHBondContact O-CD2 3.47Å; V147-F149 VanDerWaalsContact O-CE2 3.25Å; V147-F149 WeakPolarHBondContact O-CE2 3.17Å; V147-I154 CarbonylContact O-C 3.51Å; V147-I154 WeakPolarHBondContact O-CA 3.39Å; V147-Q155 PolarHBondContact N-O 3.08Å; V147-Q155 PolarHBondContact O-N 3.26Å; V147-I157 HydrophobicContact CG2-CD1 4.07Å; V147-I157 HydrophobicContact CG2-CG1 4.38Å
148	G	97.8	Very high	88.7	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.3	179.6	0	0	0	0	0	111.4	P128 T129 C130 L184	P128-G148 CarbonylContact C-O 3.59Å; P128-G148 WeakPolarHBondContact CA-O 3.32Å; T129-G148 PolarHBondContact N-O 3.32Å; T129-G148 VanDerWaalsContact OG1-C 3.23Å; T129-G148 PolarHBondContact OG1-O 2.99Å; C130-G148 PolarHBondContact O-N 3.34Å; G148-L184 VanDerWaalsContact CA-CD2 3.47Å
149	F	97.2	Very high	90	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.022	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	158.7	-170.7	-67.8	-84.6	0	0	0	114	Y123 T126 Y127 P128 V147 A151 G152 Q153 Q155 V181	Y123-F149 AromaticContact CD1-CE1 3.57Å; Y123-F149 HydrophobicContact CD1-CE1 3.57Å; Y123-F149 AromaticContact CD1-CZ 3.91Å; Y123-F149 HydrophobicContact CD1-CZ 3.91Å; Y123-F149 AromaticContact CD2-CE1 3.98Å; Y123-F149 HydrophobicContact CD2-CE1 3.98Å; Y123-F149 AromaticContact CE1-CE1 3.66Å; Y123-F149 HydrophobicContact CE1-CE1 3.66Å; Y123-F149 AromaticContact CE1-CZ 3.52Å; Y123-F149 HydrophobicContact CE1-CZ 3.52Å; Y123-F149 HydrophobicContact CE2-CE1 4.04Å; Y123-F149 HydrophobicContact CE2-CZ 4.27Å; Y123-F149 AromaticContact CG-CE1 3.74Å; Y123-F149 HydrophobicContact CG-CE1 3.74Å; Y123-F149 HydrophobicContact CG-CZ 4.44Å; Y123-F149 AromaticContact CZ-CE1 3.89Å; Y123-F149 AromaticContact CZ-CZ 3.71Å; T126-F149 HydrophobicContact CG2-CB 3.99Å; T126-F149 HydrophobicContact CG2-CD1 3.54Å; T126-F149 HydrophobicContact CG2-CE1 4.31Å; T126-F149 HydrophobicContact CG2-CG 3.94Å; Y127-F149 WeakPolarHBondContact O-CA 3.35Å; P128-F149 HydrophobicContact CG-CE1 4.07Å; V147-F149 HydrophobicContact CB-CE2 4.02Å; V147-F149 HydrophobicContact CB-CZ 4.11Å; V147-F149 HydrophobicContact CG1-CE1 4.17Å; V147-F149 HydrophobicContact CG1-CE2 3.86Å; V147-F149 HydrophobicContact CG1-CZ 3.61Å; V147-F149 WeakPolarHBondContact O-CD2 3.47Å; V147-F149 VanDerWaalsContact O-CE2 3.25Å; V147-F149 WeakPolarHBondContact O-CE2 3.17Å; F149-A151 PolarHBondContact O-N 2.52Å; F149-G152 PolarHBondContact O-N 3.16Å; F149-G152 VanDerWaalsContact O-N 3.11Å; F149-Q153 HydrophobicContact CB-CB 4.36Å; F149-Q153 HydrophobicContact CD2-CB 4.24Å; F149-Q153 WeakPolarHBondContact CD2-O 3.43Å; F149-Q153 PolarHBondContact N-O 3.09Å; F149-Q155 HydrophobicContact CE2-CB 3.53Å; F149-Q155 HydrophobicContact CZ-CB 4.13Å; F149-V181 PolarHBondContact O-N 2.85Å; F149-V181 VanDerWaalsContact O-N 3.09Å
150	S	95.4	Very high	90.8	Very high	24 Å²	24	19.4 Å²	19.4	17%	0.168	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17	179.9	60.5	0	0	0	0	115.1	T126 Y127 R180	T126-S150 PolarHBondContact OG1-N 2.99Å; T126-S150 PolarHBondContact OG1-OG 3.46Å; Y127-S150 WeakPolarHBondContact CD1-OG 3.45Å; Y127-S150 WeakPolarHBondContact CE1-OG 3.42Å; Y127-S150 PolarHBondContact N-OG 3.39Å; Y127-S150 PolarHBondContact O-N 2.78Å; Y127-S150 VanDerWaalsContact O-N 3.07Å; S150-R180 VanDerWaalsContact O-CA 3.3Å; S150-R180 WeakPolarHBondContact O-CA 3.22Å; S150-R180 VanDerWaalsContact O-CB 3.31Å; S150-R180 WeakPolarHBondContact O-CB 3.24Å
151	A	95.4	Very high	91.3	Very high	18 Å²	18	21.9 Å²	21.9	15%	0.149	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	13.6	175.9	0	0	0	0	0	113.4	T126 F149 Q153 R174	T126-A151 PolarHBondContact OG1-N 3.11Å; F149-A151 PolarHBondContact O-N 2.52Å; A151-Q153 PolarHBondContact O-OE1 3.1Å; A151-R174 WeakPolarHBondContact O-CD 3.21Å; A151-R174 WeakPolarHBondContact O-CG 3.47Å
152	G	95.7	Very high	91.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	90.3	-3.2	172.3	0	0	0	0	0	115.3	F149 N171 S179 H198	F149-G152 PolarHBondContact O-N 3.16Å; F149-G152 VanDerWaalsContact O-N 3.11Å; G152-N171 PolarHBondContact O-ND2 3Å; G152-S179 WeakPolarHBondContact CA-O 3.43Å; G152-H198 PolarHBondContact O-CE1 3.48Å
153	Q	96.8	Very high	90.3	Very high	32 Å²	32	28.2 Å²	28.2	15%	0.15	13%	0.134	C	C	.	.			trans	-73.6	156.6	175.5	-55.4	90.3	-13.9	0	0	111.4	F149 A151 R174	F149-Q153 HydrophobicContact CB-CB 4.36Å; F149-Q153 HydrophobicContact CD2-CB 4.24Å; F149-Q153 WeakPolarHBondContact CD2-O 3.43Å; F149-Q153 PolarHBondContact N-O 3.09Å; A151-Q153 PolarHBondContact O-OE1 3.1Å; Q153-R174 HydrophobicContact CG-CG 4.48Å
154	I	97.6	Very high	89.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.5	166.1	-55.1	108.3	0	0	0	108.4	L146 V147 L169 F170 V181 F194 V196 Y206	L146-I154 HydrophobicContact CD2-CG2 3.95Å; V147-I154 CarbonylContact O-C 3.51Å; V147-I154 WeakPolarHBondContact O-CA 3.39Å; I154-L169 WeakPolarHBondContact O-CA 3.4Å; I154-F170 HydrophobicContact CB-CB 4.2Å; I154-F170 HydrophobicContact CB-CD2 4.4Å; I154-F170 HydrophobicContact CD1-CB 4.36Å; I154-F170 HydrophobicContact CG2-CD2 4.4Å; I154-F170 PolarHBondContact N-O 3.01Å; I154-F170 PolarHBondContact O-N 2.86Å; I154-V181 HydrophobicContact CG1-CG2 4.35Å; I154-F194 HydrophobicContact CG2-CE2 4.11Å; I154-F194 HydrophobicContact CG2-CZ 4.49Å; I154-V196 HydrophobicContact CD1-CB 4.45Å; I154-V196 HydrophobicContact CD1-CG1 4.09Å; I154-V196 HydrophobicContact CD1-CG2 3.95Å; I154-V196 HydrophobicContact CG1-CG1 4.16Å; I154-V196 HydrophobicContact CG1-CG2 4.08Å; I154-Y206 HydrophobicContact CD1-CE2 4.02Å
155	Q	96.2	Very high	87.5	Confident	16 Å²	16	37 Å²	37	8%	0.075	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.1	174.2	-168	-175.9	16.5	0	0	109.7	Y123 L146 V147 F149 I157 N167 R168 L169	Y123-Q155 PolarHBondContact OH-OE1 2.64Å; Y123-Q155 VanDerWaalsContact OH-OE1 3.11Å; L146-Q155 CarbonylContact C-O 3.41Å; L146-Q155 WeakPolarHBondContact CA-O 3.44Å; V147-Q155 PolarHBondContact N-O 3.08Å; V147-Q155 PolarHBondContact O-N 3.26Å; F149-Q155 HydrophobicContact CE2-CB 3.53Å; F149-Q155 HydrophobicContact CZ-CB 4.13Å; Q155-I157 HydrophobicContact CB-CG2 4.42Å; Q155-I157 VanDerWaalsContact CD-CG2 3.5Å; Q155-I157 HydrophobicContact CG-CG2 3.52Å; Q155-N167 PolarHBondContact NE2-OD1 2.85Å; Q155-R168 CarbonylContact C-O 3.45Å; Q155-R168 WeakPolarHBondContact CA-O 3.49Å; Q155-L169 HydrophobicContact CB-CD2 3.73Å; Q155-L169 HydrophobicContact CG-CD2 3.66Å
156	L	95.1	Very high	86.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.4	169.9	-179.5	75.4	0	0	0	108.5	E144 L146 V166 N167 R168 F170 W186 V208	E144-L156 HydrophobicContact CB-CD1 3.77Å; E144-L156 HydrophobicContact CG-CD1 4.31Å; L146-L156 HydrophobicContact CD2-CB 4.21Å; L146-L156 HydrophobicContact CD2-CD1 3.63Å; L146-L156 HydrophobicContact CG-CD1 4.08Å; L156-V166 HydrophobicContact CD2-CG1 3.89Å; L156-V166 HydrophobicContact CG-CG1 4.07Å; L156-N167 WeakPolarHBondContact O-CA 3.28Å; L156-R168 HydrophobicContact CB-CB 4.23Å; L156-R168 HydrophobicContact CD2-CB 4.44Å; L156-R168 PolarHBondContact N-O 3.2Å; L156-R168 PolarHBondContact O-N 2.96Å; L156-R168 VanDerWaalsContact O-N 3.13Å; L156-F170 HydrophobicContact CB-CE2 3.94Å; L156-W186 HydrophobicContact CD1-CH2 3.89Å; L156-W186 HydrophobicContact CD1-CZ2 3.69Å; L156-V208 HydrophobicContact CD2-CG1 3.5Å; L156-V208 VanDerWaalsContact CD2-CG1 3.5Å; L156-V208 HydrophobicContact CD2-CG2 4.26Å
157	I	93.5	Very high	85.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.1	-177.1	70.2	175.8	0	0	0	110.4	L100 L145 V147 Q155 V166	L100-I157 HydrophobicContact CD2-CD1 3.95Å; L145-I157 HydrophobicContact CB-CG1 3.88Å; L145-I157 HydrophobicContact CD2-CD1 3.95Å; L145-I157 HydrophobicContact CD2-CG1 4.13Å; L145-I157 HydrophobicContact CG-CD1 4.45Å; L145-I157 HydrophobicContact CG-CG1 4.16Å; L145-I157 PolarHBondContact N-O 3.04Å; L145-I157 PolarHBondContact O-N 3.21Å; V147-I157 HydrophobicContact CG2-CD1 4.07Å; V147-I157 HydrophobicContact CG2-CG1 4.38Å; Q155-I157 HydrophobicContact CB-CG2 4.42Å; Q155-I157 VanDerWaalsContact CD-CG2 3.5Å; Q155-I157 HydrophobicContact CG-CG2 3.52Å; I157-V166 WeakPolarHBondContact CA-O 3.46Å
158	N	91.1	Very high	85.6	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.037	24%	0.237	C	C	.	.			trans	-103.9	111.8	159.6	-176	-28.9	0	0	0	108.2	D141 F160 K161 V166	D141-N158 PolarHBondContact O-ND2 3.35Å; N158-F160 VanDerWaalsContact C-N 3.33Å; N158-F160 PolarHBondContact OD1-N 2.79Å; N158-K161 PolarHBondContact OD1-N 3.12Å; N158-V166 HydrophobicContact CB-CB 4.4Å; N158-V166 PolarHBondContact N-O 3.16Å
159	P	89.9	Confident	85.4	Confident	1 Å²	1	52 Å²	52	1%	0.006	26%	0.255	C	S	.	.	S	Bend	trans	-77.6	-16.6	-178.2	30.2	-32.2	0	0	0	113.5	V102 D119 F133 L145	V102-P159 HydrophobicContact CB-CB 4.38Å; V102-P159 HydrophobicContact CG1-CB 4.34Å; V102-P159 HydrophobicContact CG2-CB 3.83Å; V102-P159 HydrophobicContact CG2-CG 4.39Å; D119-P159 HydrophobicContact CB-CB 3.92Å; F133-P159 HydrophobicContact CE1-CG 4.04Å; L145-P159 HydrophobicContact CB-CG 4.47Å; L145-P159 HydrophobicContact CD2-CG 4.38Å
160	F	86.6	Confident	85.4	Confident	38 Å²	38	52 Å²	52	17%	0.167	26%	0.256	C	S	.	.	S	Bend	trans	-90.6	-22.2	-175.2	-51.2	-67.8	0	0	0	112.9	V70 L72 K91 V102 I118 F133 V140 C143 N158	V70-F160 HydrophobicContact CG1-CZ 4.32Å; L72-F160 HydrophobicContact CD1-CD2 4.45Å; L72-F160 HydrophobicContact CD1-CE1 4.46Å; L72-F160 HydrophobicContact CD1-CE2 3.95Å; L72-F160 HydrophobicContact CD1-CZ 3.96Å; K91-F160 HydrophobicContact CB-CE1 4.27Å; K91-F160 HydrophobicContact CB-CZ 4.11Å; K91-F160 HydrophobicContact CD-CE1 4.01Å; K91-F160 HydrophobicContact CG-CE1 3.75Å; K91-F160 HydrophobicContact CG-CZ 3.83Å; V102-F160 HydrophobicContact CG1-CE1 4.1Å; V102-F160 HydrophobicContact CG1-CZ 4.44Å; I118-F160 HydrophobicContact CD1-CE1 4.4Å; I118-F160 HydrophobicContact CG2-CD1 3.99Å; I118-F160 HydrophobicContact CG2-CE1 4.45Å; F133-F160 HydrophobicContact CE1-CE2 4.21Å; F133-F160 HydrophobicContact CE1-CZ 4.21Å; V140-F160 HydrophobicContact CG1-CB 3.57Å; V140-F160 HydrophobicContact CG1-CD1 4.36Å; V140-F160 HydrophobicContact CG1-CD2 4.31Å; V140-F160 HydrophobicContact CG1-CG 3.82Å; C143-F160 HydrophobicContact CB-CD2 3.86Å; C143-F160 HydrophobicContact CB-CE2 3.66Å; N158-F160 VanDerWaalsContact C-N 3.33Å; N158-F160 PolarHBondContact OD1-N 2.79Å
161	K	79	Confident	85.4	Confident	81 Å²	81	51 Å²	51	35%	0.352	25%	0.248	S	C	.	.			trans	-119.5	100.1	-178.3	-162	164.4	-170.3	158.1	0	111.4	D141 N158 E163 A164	D141-K161 WeakPolarHBondContact OD1-CD 3.41Å; D141-K161 IonicContact OD1-NZ 3.54Å; D141-K161 PolarHBondContact OD1-NZ 3.49Å; N158-K161 PolarHBondContact OD1-N 3.12Å; K161-E163 VanDerWaalsContact C-N 3.32Å; K161-A164 HydrophobicContact CD-CB 3.6Å; K161-A164 HydrophobicContact CG-CB 3.85Å
162	K	66.1	Low	85.3	Confident	147 Å²	147	55.8 Å²	55.8	64%	0.639	27%	0.268	S	S	*	.	S	Bend	trans	-73.3	-24.2	179.5	-68.7	178	-178	166.1	0	113.2	I118	I118-K162 VanDerWaalsContact O-CE 3.28Å; I118-K162 WeakPolarHBondContact O-CE 3.3Å; I118-K162 PolarHBondContact O-NZ 3.3Å
163	E	59.3	Low	85.1	Confident	187 Å²	187	60.1 Å²	60.1	87%	0.874	29%	0.291	S	S	*	.	S	Bend	trans	-92.3	-30.1	-172	-67.1	179.2	174	0	0	114.1	K161 Q165	K161-E163 VanDerWaalsContact C-N 3.32Å; E163-Q165 PolarHBondContact O-N 3.26Å
164	A	57.6	Low	85	Confident	44 Å²	44	64.3 Å²	64.3	36%	0.364	31%	0.305	S	S	.	.	S	Bend	trans	-95.2	93	173.6	0	0	0	0	0	109	K161 V166	K161-A164 HydrophobicContact CD-CB 3.6Å; K161-A164 HydrophobicContact CG-CB 3.85Å; A164-V166 PolarHBondContact O-N 3.04Å
165	Q	58.4	Low	84.8	Confident	176 Å²	176	65.9 Å²	65.9	82%	0.822	32%	0.315	S	S	*	.			trans	-67	72.2	-173.9	-67.2	-175.8	-10.5	0	0	113.2	E163 N167	E163-Q165 PolarHBondContact O-N 3.26Å; Q165-N167 PolarHBondContact O-N 2.94Å
166	V	74.6	Confident	84.7	Confident	47 Å²	47	65.7 Å²	65.7	29%	0.285	31%	0.314	S	S	.	.			trans	-71.9	92.3	154.4	-175	0	0	0	0	105.9	L156 I157 N158 A164	L156-V166 HydrophobicContact CD2-CG1 3.89Å; L156-V166 HydrophobicContact CG-CG1 4.07Å; I157-V166 WeakPolarHBondContact CA-O 3.46Å; N158-V166 HydrophobicContact CB-CB 4.4Å; N158-V166 PolarHBondContact N-O 3.16Å; A164-V166 PolarHBondContact O-N 3.04Å
167	N	83.7	Confident	84.7	Confident	84 Å²	84	66.4 Å²	66.4	45%	0.449	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	78.4	173.7	-173.2	12.9	0	0	0	108.3	Q155 L156 Q165	Q155-N167 PolarHBondContact NE2-OD1 2.85Å; L156-N167 WeakPolarHBondContact O-CA 3.28Å; Q165-N167 PolarHBondContact O-N 2.94Å
168	R	91.3	Very high	84.8	Confident	111 Å²	111	74.2 Å²	74.2	42%	0.419	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133	178.6	-62	-174.5	-177.1	175.4	6.5	109.2	Q155 L156 F170 V208 D209	Q155-R168 CarbonylContact C-O 3.45Å; Q155-R168 WeakPolarHBondContact CA-O 3.49Å; L156-R168 HydrophobicContact CB-CB 4.23Å; L156-R168 HydrophobicContact CD2-CB 4.44Å; L156-R168 PolarHBondContact N-O 3.2Å; L156-R168 PolarHBondContact O-N 2.96Å; L156-R168 VanDerWaalsContact O-N 3.13Å; R168-F170 HydrophobicContact CB-CE2 4.02Å; R168-F170 HydrophobicContact CB-CZ 4.19Å; R168-V208 PolarHBondContact NH1-O 2.85Å; R168-D209 IonicContact NH1-OD1 3.37Å; R168-D209 PolarHBondContact NH1-OD1 3.34Å; R168-D209 VanDerWaalsContact NH1-OD1 3.14Å
169	L	93.8	Very high	85	Confident	74 Å²	74	75.2 Å²	75.2	39%	0.387	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.8	172.2	-70.9	169.8	0	0	0	109.5	I154 Q155 E172	I154-L169 WeakPolarHBondContact O-CA 3.4Å; Q155-L169 HydrophobicContact CB-CD2 3.73Å; Q155-L169 HydrophobicContact CG-CD2 3.66Å; L169-E172 HydrophobicContact CB-CB 4.25Å; L169-E172 HydrophobicContact CD1-CG 4.27Å
170	F	95.7	Very high	85.3	Confident	6 Å²	6	80.8 Å²	80.8	3%	0.026	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.6	172.9	-53.8	-95.6	0	0	0	108.8	I154 L156 R168 E172 F194 Y206	I154-F170 HydrophobicContact CB-CB 4.2Å; I154-F170 HydrophobicContact CB-CD2 4.4Å; I154-F170 HydrophobicContact CD1-CB 4.36Å; I154-F170 HydrophobicContact CG2-CD2 4.4Å; I154-F170 PolarHBondContact N-O 3.01Å; I154-F170 PolarHBondContact O-N 2.86Å; L156-F170 HydrophobicContact CB-CE2 3.94Å; R168-F170 HydrophobicContact CB-CE2 4.02Å; R168-F170 HydrophobicContact CB-CZ 4.19Å; F170-E172 PolarHBondContact O-N 3.19Å; F170-F194 HydrophobicContact CD1-CZ 4.24Å; F170-F194 HydrophobicContact CD2-CZ 4.01Å; F170-F194 HydrophobicContact CE1-CE1 4.4Å; F170-F194 HydrophobicContact CE1-CZ 4.28Å; F170-F194 HydrophobicContact CE2-CE1 4.32Å; F170-F194 HydrophobicContact CE2-CZ 4.05Å; F170-F194 HydrophobicContact CG-CZ 4.12Å; F170-F194 HydrophobicContact CZ-CE1 4.16Å; F170-F194 HydrophobicContact CZ-CZ 4.2Å; F170-Y206 HydrophobicContact CB-CD1 4.26Å; F170-Y206 HydrophobicContact CB-CE1 4.1Å; F170-Y206 AromaticContact CD1-CD1 3.95Å; F170-Y206 HydrophobicContact CD1-CD1 3.95Å; F170-Y206 HydrophobicContact CG-CD1 4.38Å
171	N	95.3	Very high	85.8	Confident	1 Å²	1	79 Å²	79	1%	0.005	37%	0.373	C	S	.	.	S	Bend	trans	54.3	35	-175.9	-169.3	35.4	0	0	0	113.4	G152 D173 R174 T175 I176 D177 C212	G152-N171 PolarHBondContact O-ND2 3Å; N171-D173 VanDerWaalsContact C-N 3.33Å; N171-D173 PolarHBondContact O-N 3.46Å; N171-R174 PolarHBondContact O-N 2.87Å; N171-R174 VanDerWaalsContact OD1-CA 3.28Å; N171-R174 WeakPolarHBondContact OD1-CA 3.27Å; N171-T175 PolarHBondContact OD1-N 3.1Å; N171-I176 HydrophobicContact CB-CB 4.42Å; N171-I176 HydrophobicContact CB-CD1 4.12Å; N171-I176 WeakPolarHBondContact OD1-CB 3.33Å; N171-I176 PolarHBondContact OD1-N 3.38Å; N171-D177 PolarHBondContact ND2-O 2.9Å; N171-C212 PolarHBondContact N-SG 2.61Å
172	E	94	Very high	86.7	Confident	120 Å²	120	76.5 Å²	76.5	56%	0.561	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-46.4	-178	-176	174.3	-172.6	0	0	112.2	L169 F170 R174	L169-E172 HydrophobicContact CB-CB 4.25Å; L169-E172 HydrophobicContact CD1-CG 4.27Å; F170-E172 PolarHBondContact O-N 3.19Å; E172-R174 PolarHBondContact O-N 3.15Å
173	D	92.6	Very high	88.2	Confident	91 Å²	91	70 Å²	70	49%	0.487	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.2	179	-62.4	-41.2	0	0	0	113.6	N171 T175 C214	N171-D173 VanDerWaalsContact C-N 3.33Å; N171-D173 PolarHBondContact O-N 3.46Å; D173-T175 HydrophobicContact CB-CG2 3.71Å; D173-T175 PolarHBondContact O-N 2.92Å; D173-C214 WeakPolarHBondContact OD2-CA 3.37Å; D173-C214 PolarHBondContact OD2-SG 2.69Å
174	R	93.6	Very high	90	Very high	120 Å²	120	61.1 Å²	61.1	45%	0.453	30%	0.296	S	S	.	.	S	Bend	trans	54	37.7	-175.4	-51.8	178	-66.7	174.1	-0.6	112.7	A151 Q153 N171 E172 K178	A151-R174 WeakPolarHBondContact O-CD 3.21Å; A151-R174 WeakPolarHBondContact O-CG 3.47Å; Q153-R174 HydrophobicContact CG-CG 4.48Å; N171-R174 PolarHBondContact O-N 2.87Å; N171-R174 VanDerWaalsContact OD1-CA 3.28Å; N171-R174 WeakPolarHBondContact OD1-CA 3.27Å; E172-R174 PolarHBondContact O-N 3.15Å; R174-K178 HydrophobicContact CB-CG 4.09Å; R174-K178 VanDerWaalsContact O-CG 3.25Å; R174-K178 WeakPolarHBondContact O-CG 3.21Å
175	T	92.7	Very high	91.9	Very high	32 Å²	32	62 Å²	62	20%	0.196	29%	0.291	C	S	.	.			trans	-87	-26.2	179	52.2	0	0	0	0	112.1	N171 D173 S213 L216	N171-T175 PolarHBondContact OD1-N 3.1Å; D173-T175 HydrophobicContact CB-CG2 3.71Å; D173-T175 PolarHBondContact O-N 2.92Å; T175-S213 PolarHBondContact OG1-O 3.12Å; T175-L216 WeakPolarHBondContact O-CD1 3.09Å
176	I	94.4	Very high	93.7	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.067	26%	0.255	C	S	.	.	S	Bend	trans	-80.8	-55.3	-179.9	-57.8	170.8	0	0	0	109.5	N171 Y204 Y206 C212 P217 P241	N171-I176 HydrophobicContact CB-CB 4.42Å; N171-I176 HydrophobicContact CB-CD1 4.12Å; N171-I176 WeakPolarHBondContact OD1-CB 3.33Å; N171-I176 PolarHBondContact OD1-N 3.38Å; I176-Y204 HydrophobicContact CG2-CD1 3.78Å; I176-Y204 HydrophobicContact CG2-CE1 3.53Å; I176-Y204 HydrophobicContact CG2-CE2 4.36Å; I176-Y204 HydrophobicContact CG2-CG 4.28Å; I176-Y204 PolarHBondContact O-OH 2.89Å; I176-Y206 HydrophobicContact CD1-CE1 3.9Å; I176-Y206 VanDerWaalsContact CD1-OH 3.28Å; I176-Y206 WeakPolarHBondContact CD1-OH 3.46Å; I176-C212 HydrophobicContact CD1-CB 4.34Å; I176-P217 HydrophobicContact CG1-CG 4.05Å; I176-P241 HydrophobicContact CD1-CG 4.37Å; I176-P241 HydrophobicContact CG2-CG 3.95Å
177	D	94.9	Very high	94.7	Very high	15 Å²	15	52.9 Å²	52.9	8%	0.08	25%	0.245	C	C	.	.			trans	-148.8	141	175.9	-153.8	-54	0	0	0	110.3	N171 S179 H198 S200 Y204	N171-D177 PolarHBondContact ND2-O 2.9Å; D177-S179 WeakPolarHBondContact OD1-CB 3.47Å; D177-S179 PolarHBondContact OD1-N 2.99Å; D177-S179 PolarHBondContact OD1-OG 3.38Å; D177-H198 IonicContact OD1-ND1 3.29Å; D177-H198 IonicContact OD2-CG 3.73Å; D177-S200 PolarHBondContact OD1-OG 3.24Å; D177-S200 WeakPolarHBondContact OD2-CB 3.25Å; D177-S200 PolarHBondContact OD2-OG 3.39Å; D177-Y204 HydrophobicContact CB-CE2 3.84Å; D177-Y204 WeakPolarHBondContact OD2-CE2 3.34Å; D177-Y204 PolarHBondContact OD2-OH 3.36Å
178	K	95.6	Very high	95.2	Very high	163 Å²	163	51.9 Å²	51.9	71%	0.709	24%	0.243	S	C	*	.			trans	-102	-13.1	-179.7	-65.1	178.5	-178.7	177.3	0	112.7	R174	R174-K178 HydrophobicContact CB-CG 4.09Å; R174-K178 VanDerWaalsContact O-CG 3.25Å; R174-K178 WeakPolarHBondContact O-CG 3.21Å
179	S	96	Very high	95	Very high	29 Å²	29	50.6 Å²	50.6	20%	0.203	27%	0.265	C	S	.	.	S	Bend	trans	-79.9	155.9	-179	70.6	0	0	0	0	111	G152 D177 H198 S200	G152-S179 WeakPolarHBondContact CA-O 3.43Å; D177-S179 WeakPolarHBondContact OD1-CB 3.47Å; D177-S179 PolarHBondContact OD1-N 2.99Å; D177-S179 PolarHBondContact OD1-OG 3.38Å; S179-H198 PolarHBondContact O-ND1 2.94Å; S179-H198 WeakPolarHBondContact OG-CB 3.31Å; S179-S200 WeakPolarHBondContact OG-CB 3.5Å; S179-S200 PolarHBondContact OG-N 2.82Å; S179-S200 VanDerWaalsContact OG-N 3.09Å; S179-S200 PolarHBondContact OG-OG 3.11Å
180	R	96.2	Very high	94.8	Very high	118 Å²	118	48.1 Å²	48.1	45%	0.445	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-57.3	143	-179.3	66.7	178.1	-178.4	-166.8	-0.2	111.3	S150 T182 H198 A199	S150-R180 VanDerWaalsContact O-CA 3.3Å; S150-R180 WeakPolarHBondContact O-CA 3.22Å; S150-R180 VanDerWaalsContact O-CB 3.31Å; S150-R180 WeakPolarHBondContact O-CB 3.24Å; R180-T182 HydrophobicContact CG-CG2 4.35Å; R180-H198 WeakPolarHBondContact O-CA 3.11Å; R180-A199 HydrophobicContact CG-CB 3.67Å; R180-A199 PolarHBondContact O-N 3.22Å
181	V	97.8	Very high	94.4	Very high	1 Å²	1	55 Å²	55	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.4	164.4	-177.8	0	0	0	0	108.4	T129 F149 I154 L184 V196 S197	T129-V181 WeakPolarHBondContact CB-O 3.35Å; T129-V181 PolarHBondContact OG1-O 3.02Å; T129-V181 VanDerWaalsContact OG1-O 3.06Å; F149-V181 PolarHBondContact O-N 2.85Å; F149-V181 VanDerWaalsContact O-N 3.09Å; I154-V181 HydrophobicContact CG1-CG2 4.35Å; V181-L184 HydrophobicContact CG1-CB 4.5Å; V181-L184 HydrophobicContact CG1-CD2 4.35Å; V181-V196 HydrophobicContact CB-CG1 4.39Å; V181-V196 HydrophobicContact CG1-CG1 3.5Å; V181-V196 VanDerWaalsContact CG1-CG1 3.5Å; V181-V196 HydrophobicContact CG2-CG1 4.06Å; V181-S197 WeakPolarHBondContact CA-O 3.49Å
182	T	97	Very high	94.2	Very high	28 Å²	28	58.9 Å²	58.9	17%	0.172	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-42.6	-179.5	52.7	0	0	0	0	112	R180 S197 A199 V252	R180-T182 HydrophobicContact CG-CG2 4.35Å; T182-S197 PolarHBondContact N-O 2.84Å; T182-S197 PolarHBondContact OG1-O 3.47Å; T182-S197 PolarHBondContact OG1-OG 3.03Å; T182-A199 HydrophobicContact CG2-CB 4.06Å; T182-V252 WeakPolarHBondContact CB-O 3.25Å; T182-V252 WeakPolarHBondContact CG2-O 3.29Å; T182-V252 PolarHBondContact OG1-O 2.86Å
183	C	97.8	Very high	94.2	Very high	9 Å²	9	56.1 Å²	56.1	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.1	173.9	-173.9	0	0	0	0	109.3	S197 F255	C183-S197 WeakPolarHBondContact CB-OG 3.37Å; C183-S197 PolarHBondContact N-OG 2.57Å; C183-S197 PolarHBondContact O-N 2.93Å; C183-S197 PolarHBondContact O-OG 2.97Å; C183-F255 HydrophobicContact CB-CD1 3.84Å; C183-F255 HydrophobicContact CB-CE1 3.72Å; C183-F255 WeakPolarHBondContact O-CE1 3.43Å
184	L	98	Very high	94.5	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.5	168.3	67.5	86.8	0	0	0	109	D132 L146 G148 V181 L195 V196	D132-L184 HydrophobicContact CB-CD1 3.67Å; L146-L184 HydrophobicContact CB-CD1 3.37Å; L146-L184 HydrophobicContact CB-CD2 4.41Å; L146-L184 HydrophobicContact CD1-CD1 4.12Å; L146-L184 HydrophobicContact CG-CD1 4.39Å; G148-L184 VanDerWaalsContact CA-CD2 3.47Å; V181-L184 HydrophobicContact CG1-CB 4.5Å; V181-L184 HydrophobicContact CG1-CD2 4.35Å; L184-L195 VanDerWaalsContact CA-O 3.3Å; L184-L195 WeakPolarHBondContact CA-O 3.41Å; L184-V196 HydrophobicContact CB-CG1 4.31Å; L184-V196 HydrophobicContact CB-CG2 4.16Å
185	K	97.5	Very high	94.7	Very high	63 Å²	63	46.1 Å²	46.1	27%	0.274	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145.2	178	-71.2	-64.5	-176	171.4	0	111	D132 F194 L195 F255 F257	D132-K185 HydrophobicContact CB-CD 4.2Å; D132-K185 VanDerWaalsContact CG-CD 3.4Å; D132-K185 WeakPolarHBondContact OD1-CD 3.2Å; D132-K185 IonicContact OD1-NZ 2.83Å; D132-K185 PolarHBondContact OD1-NZ 3Å; D132-K185 WeakPolarHBondContact OD2-CA 3.31Å; D132-K185 VanDerWaalsContact OD2-CD 3.3Å; D132-K185 WeakPolarHBondContact OD2-CD 3.5Å; K185-F194 WeakPolarHBondContact O-CA 3.48Å; K185-F194 WeakPolarHBondContact O-CB 3.48Å; K185-L195 PolarHBondContact N-O 2.89Å; K185-L195 PolarHBondContact O-N 2.83Å; K185-F255 HydrophobicContact CB-CE2 3.83Å; K185-F255 HydrophobicContact CB-CZ 4.1Å; K185-F255 HydrophobicContact CG-CE2 3.99Å; K185-F255 HydrophobicContact CG-CZ 4.28Å; K185-F257 HydrophobicContact CB-CE2 4.46Å
186	W	96.3	Very high	94.9	Very high	17 Å²	17	44.6 Å²	44.6	6%	0.064	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	141.2	161.4	-67.9	95.7	0	0	0	109.8	D132 F133 N134 E144 L146 L156 P188 K191 F194 V208	D132-W186 PolarHBondContact O-NE1 3.05Å; D132-W186 PolarHBondContact OD2-N 2.94Å; F133-W186 VanDerWaalsContact C-CD1 3.43Å; F133-W186 VanDerWaalsContact O-CD1 3.29Å; N134-W186 HydrophobicContact CB-CD2 3.93Å; N134-W186 HydrophobicContact CB-CG 4.23Å; N134-W186 HydrophobicContact CB-CH2 4.43Å; N134-W186 HydrophobicContact CB-CZ2 3.82Å; E144-W186 HydrophobicContact CB-CH2 4.39Å; E144-W186 HydrophobicContact CB-CZ2 3.93Å; E144-W186 VanDerWaalsContact OE2-CH2 3.29Å; E144-W186 WeakPolarHBondContact OE2-CH2 3.45Å; L146-W186 HydrophobicContact CD1-CD2 3.78Å; L146-W186 HydrophobicContact CD1-CE3 4.37Å; L146-W186 HydrophobicContact CD1-CG 4.19Å; L146-W186 HydrophobicContact CD1-CH2 4.31Å; L146-W186 HydrophobicContact CD1-CZ2 3.69Å; L146-W186 HydrophobicContact CD2-CZ2 4.24Å; L146-W186 HydrophobicContact CG-CH2 4.38Å; L146-W186 HydrophobicContact CG-CZ2 3.58Å; L156-W186 HydrophobicContact CD1-CH2 3.89Å; L156-W186 HydrophobicContact CD1-CZ2 3.69Å; W186-P188 WeakPolarHBondContact O-CD 3.37Å; W186-K191 WeakPolarHBondContact CZ3-O 3.26Å; W186-F194 HydrophobicContact CD2-CB 4.48Å; W186-F194 HydrophobicContact CE3-CB 4.24Å; W186-F194 HydrophobicContact CZ3-CD1 4.48Å; W186-V208 HydrophobicContact CH2-CG2 3.64Å; W186-V208 HydrophobicContact CZ3-CG2 3.74Å
187	I	95.6	Very high	95.1	Very high	14 Å²	14	44 Å²	44	7%	0.072	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-75.6	125.1	176.6	-72.4	154.1	0	0	0	108.1	G189 A190 H193 L195 V205 F257 Y278	I187-G189 PolarHBondContact O-N 2.94Å; I187-A190 HydrophobicContact CB-CB 3.98Å; I187-A190 HydrophobicContact CG2-CB 3.91Å; I187-A190 WeakPolarHBondContact O-CB 3.41Å; I187-A190 PolarHBondContact O-N 2.9Å; I187-H193 HydrophobicContact CB-CB 4.38Å; I187-H193 HydrophobicContact CD1-CB 3.57Å; I187-H193 PolarHBondContact N-O 2.86Å; I187-L195 HydrophobicContact CG1-CB 4.33Å; I187-V205 HydrophobicContact CD1-CG1 4.17Å; I187-F257 HydrophobicContact CB-CZ 4.43Å; I187-F257 HydrophobicContact CG1-CE2 4.13Å; I187-F257 HydrophobicContact CG1-CZ 3.73Å; I187-Y278 WeakPolarHBondContact CD1-OH 3.43Å; I187-Y278 HydrophobicContact CG2-CE1 3.89Å
188	P	92.6	Very high	95.3	Very high	62 Å²	62	43.2 Å²	43.2	40%	0.403	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	131.8	-178.9	-28.1	35.2	0	0	0	112.3	W186 A190 F257	W186-P188 WeakPolarHBondContact O-CD 3.37Å; P188-A190 PolarHBondContact O-N 2.98Å; P188-F257 VanDerWaalsContact CD-CD2 3.47Å; P188-F257 HydrophobicContact CG-CB 3.66Å; P188-F257 HydrophobicContact CG-CD1 4.34Å; P188-F257 HydrophobicContact CG-CD2 4.04Å; P188-F257 HydrophobicContact CG-CG 3.77Å
189	G	86.9	Confident	95.3	Very high	85 Å²	85	36.8 Å²	36.8	88%	0.876	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	-12.5	-177.2	0	0	0	0	0	115.6	I187	I187-G189 PolarHBondContact O-N 2.94Å
190	A	89.9	Confident	95.3	Very high	22 Å²	22	37 Å²	37	18%	0.182	21%	0.207	C	C	.	.			trans	-97.9	121.8	178.5	0	0	0	0	0	111.5	I187 P188 Q192 H193	I187-A190 HydrophobicContact CB-CB 3.98Å; I187-A190 HydrophobicContact CG2-CB 3.91Å; I187-A190 WeakPolarHBondContact O-CB 3.41Å; I187-A190 PolarHBondContact O-N 2.9Å; P188-A190 PolarHBondContact O-N 2.98Å; A190-Q192 PolarHBondContact O-N 2.8Å; A190-H193 HydrophobicContact CB-CB 3.92Å
191	K	87.2	Confident	95.3	Very high	151 Å²	151	31.3 Å²	31.3	66%	0.657	19%	0.186	S	C	*	.	S	Bend	trans	-74.5	-25.4	-177.9	-63.5	-173.8	177.5	-176.5	0	114.3	N134 W186	N134-K191 PolarHBondContact ND2-O 3.43Å; N134-K191 VanDerWaalsContact ND2-O 3.17Å; W186-K191 WeakPolarHBondContact CZ3-O 3.26Å
192	Q	91.5	Very high	95.3	Very high	82 Å²	82	34.7 Å²	34.7	38%	0.383	20%	0.199	S	C	.	.	S	Bend	trans	-122.9	-4.6	-167.9	-60.9	-176.7	-21.9	0	0	113.5	A190 N207 V208 D209	A190-Q192 PolarHBondContact O-N 2.8Å; Q192-N207 CarbonylContact O-C 3.44Å; Q192-N207 VanDerWaalsContact O-CA 3.27Å; Q192-N207 WeakPolarHBondContact O-CA 3.36Å; Q192-V208 WeakPolarHBondContact O-CG2 3.47Å; Q192-V208 PolarHBondContact O-N 2.91Å; Q192-D209 PolarHBondContact NE2-OD2 3.12Å; Q192-D209 PolarHBondContact OE1-OD2 3.33Å
193	H	95	Very high	95.4	Very high	61 Å²	61	33.4 Å²	33.4	28%	0.282	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137	-174.8	-64.7	-74.4	0	0	0	110.4	I187 A190 Y206 N207	I187-H193 HydrophobicContact CB-CB 4.38Å; I187-H193 HydrophobicContact CD1-CB 3.57Å; I187-H193 PolarHBondContact N-O 2.86Å; A190-H193 HydrophobicContact CB-CB 3.92Å; H193-Y206 WeakPolarHBondContact CA-O 3.3Å; H193-N207 PolarHBondContact CE1-ND2 2.92Å
194	F	97.3	Very high	95.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.3	174.9	62.9	-88.2	0	0	0	110.7	L146 I154 F170 K185 W186 V196 Y206 V208	L146-F194 HydrophobicContact CD1-CB 3.45Å; L146-F194 VanDerWaalsContact CD1-CB 3.45Å; L146-F194 HydrophobicContact CD1-CD1 3.98Å; L146-F194 HydrophobicContact CD1-CD2 3.81Å; L146-F194 HydrophobicContact CD1-CG 3.49Å; L146-F194 VanDerWaalsContact CD1-CG 3.49Å; L146-F194 HydrophobicContact CD2-CD1 4.22Å; L146-F194 HydrophobicContact CD2-CD2 4.33Å; L146-F194 HydrophobicContact CD2-CE1 4.13Å; L146-F194 HydrophobicContact CD2-CE2 4.23Å; L146-F194 HydrophobicContact CD2-CG 4.31Å; L146-F194 HydrophobicContact CD2-CZ 4.12Å; I154-F194 HydrophobicContact CG2-CE2 4.11Å; I154-F194 HydrophobicContact CG2-CZ 4.49Å; F170-F194 HydrophobicContact CD1-CZ 4.24Å; F170-F194 HydrophobicContact CD2-CZ 4.01Å; F170-F194 HydrophobicContact CE1-CE1 4.4Å; F170-F194 HydrophobicContact CE1-CZ 4.28Å; F170-F194 HydrophobicContact CE2-CE1 4.32Å; F170-F194 HydrophobicContact CE2-CZ 4.05Å; F170-F194 HydrophobicContact CG-CZ 4.12Å; F170-F194 HydrophobicContact CZ-CE1 4.16Å; F170-F194 HydrophobicContact CZ-CZ 4.2Å; K185-F194 WeakPolarHBondContact O-CA 3.48Å; K185-F194 WeakPolarHBondContact O-CB 3.48Å; W186-F194 HydrophobicContact CD2-CB 4.48Å; W186-F194 HydrophobicContact CE3-CB 4.24Å; W186-F194 HydrophobicContact CZ3-CD1 4.48Å; F194-V196 HydrophobicContact CD2-CG2 3.55Å; F194-V196 HydrophobicContact CE2-CG2 3.62Å; F194-Y206 HydrophobicContact CD2-CD2 4.4Å; F194-Y206 VanDerWaalsContact CE1-CB 3.48Å; F194-Y206 HydrophobicContact CE1-CG 4.44Å; F194-Y206 VanDerWaalsContact CE2-CB 3.46Å; F194-Y206 AromaticContact CE2-CD2 3.77Å; F194-Y206 HydrophobicContact CE2-CD2 3.77Å; F194-Y206 AromaticContact CE2-CG 3.72Å; F194-Y206 HydrophobicContact CE2-CG 3.72Å; F194-Y206 HydrophobicContact CZ-CD1 4.27Å; F194-Y206 HydrophobicContact CZ-CD2 4.23Å; F194-Y206 AromaticContact CZ-CG 3.69Å; F194-Y206 HydrophobicContact CZ-CG 3.69Å; F194-Y206 PolarHBondContact N-O 3.29Å; F194-Y206 PolarHBondContact O-N 3.15Å; F194-V208 HydrophobicContact CD1-CG2 3.98Å; F194-V208 HydrophobicContact CE1-CG2 3.88Å
195	L	98.1	Very high	95.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.4	179.4	-175.6	60.6	0	0	0	108.6	L184 K185 I187 L203 V205 F255 F257 L264	L184-L195 VanDerWaalsContact CA-O 3.3Å; L184-L195 WeakPolarHBondContact CA-O 3.41Å; K185-L195 PolarHBondContact N-O 2.89Å; K185-L195 PolarHBondContact O-N 2.83Å; I187-L195 HydrophobicContact CG1-CB 4.33Å; L195-L203 HydrophobicContact CD1-CB 3.91Å; L195-L203 HydrophobicContact CD1-CD2 4.17Å; L195-L203 HydrophobicContact CD2-CD2 3.99Å; L195-L203 HydrophobicContact CG-CD2 4.18Å; L195-V205 HydrophobicContact CD1-CG2 3.84Å; L195-F255 HydrophobicContact CB-CE2 3.98Å; L195-F255 HydrophobicContact CB-CZ 3.9Å; L195-F255 HydrophobicContact CD2-CD2 3.88Å; L195-F255 HydrophobicContact CD2-CE2 3.63Å; L195-F255 HydrophobicContact CD2-CG 4.5Å; L195-F255 HydrophobicContact CD2-CZ 4.08Å; L195-F255 HydrophobicContact CG-CD2 4.48Å; L195-F255 HydrophobicContact CG-CE1 4.33Å; L195-F255 HydrophobicContact CG-CE2 3.86Å; L195-F255 HydrophobicContact CG-CZ 3.78Å; L195-F255 WeakPolarHBondContact O-CZ 3.04Å; L195-F257 HydrophobicContact CB-CE2 4.37Å; L195-F257 HydrophobicContact CB-CZ 4.31Å; L195-F257 HydrophobicContact CD2-CE2 4.14Å; L195-F257 HydrophobicContact CD2-CZ 3.71Å; L195-L264 HydrophobicContact CD2-CD1 4.03Å; L195-L264 HydrophobicContact CD2-CD2 3.78Å
196	V	98.4	Very high	95.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.2	-180	-171.7	0	0	0	0	109.3	I154 V181 L184 F194 L203 Y204 Y206	I154-V196 HydrophobicContact CD1-CB 4.45Å; I154-V196 HydrophobicContact CD1-CG1 4.09Å; I154-V196 HydrophobicContact CD1-CG2 3.95Å; I154-V196 HydrophobicContact CG1-CG1 4.16Å; I154-V196 HydrophobicContact CG1-CG2 4.08Å; V181-V196 HydrophobicContact CB-CG1 4.39Å; V181-V196 HydrophobicContact CG1-CG1 3.5Å; V181-V196 VanDerWaalsContact CG1-CG1 3.5Å; V181-V196 HydrophobicContact CG2-CG1 4.06Å; L184-V196 HydrophobicContact CB-CG1 4.31Å; L184-V196 HydrophobicContact CB-CG2 4.16Å; F194-V196 HydrophobicContact CD2-CG2 3.55Å; F194-V196 HydrophobicContact CE2-CG2 3.62Å; V196-L203 CarbonylContact O-C 3.59Å; V196-L203 WeakPolarHBondContact O-CA 3.5Å; V196-Y204 PolarHBondContact N-O 2.75Å; V196-Y204 PolarHBondContact O-N 3.08Å; V196-Y206 HydrophobicContact CB-CE2 4.45Å; V196-Y206 HydrophobicContact CG2-CD2 3.99Å; V196-Y206 HydrophobicContact CG2-CE2 4.17Å
197	S	98.1	Very high	95.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	147.9	171.9	63.6	0	0	0	0	111.6	V181 T182 C183	V181-S197 WeakPolarHBondContact CA-O 3.49Å; T182-S197 PolarHBondContact N-O 2.84Å; T182-S197 PolarHBondContact OG1-O 3.47Å; T182-S197 PolarHBondContact OG1-OG 3.03Å; C183-S197 WeakPolarHBondContact CB-OG 3.37Å; C183-S197 PolarHBondContact N-OG 2.57Å; C183-S197 PolarHBondContact O-N 2.93Å; C183-S197 PolarHBondContact O-OG 2.97Å
198	H	98	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155.2	-177.9	-76	-102.4	0	0	0	111.7	G152 D177 S179 R180 S200 G201 Y202 Y204	G152-H198 PolarHBondContact O-CE1 3.48Å; D177-H198 IonicContact OD1-ND1 3.29Å; D177-H198 IonicContact OD2-CG 3.73Å; S179-H198 PolarHBondContact O-ND1 2.94Å; S179-H198 WeakPolarHBondContact OG-CB 3.31Å; R180-H198 WeakPolarHBondContact O-CA 3.11Å; H198-S200 VanDerWaalsContact CB-OG 3.29Å; H198-S200 WeakPolarHBondContact CB-OG 3.24Å; H198-S200 PolarHBondContact O-N 3.12Å; H198-S200 VanDerWaalsContact O-N 3.1Å; H198-G201 PolarHBondContact O-N 3.1Å; H198-G201 VanDerWaalsContact O-N 3.12Å; H198-Y202 PolarHBondContact N-O 3.37Å; H198-Y204 AromaticContact CD2-CD2 3.5Å; H198-Y204 VanDerWaalsContact CD2-CD2 3.5Å; H198-Y204 WeakPolarHBondContact CD2-CD2 3.18Å; H198-Y204 AromaticContact CD2-CE2 3.67Å; H198-Y204 AromaticContact NE2-CD2 3.8Å
199	A	96.5	Very high	95.1	Very high	28 Å²	28	31 Å²	31	23%	0.231	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-7.2	175.7	0	0	0	0	0	113.7	R180 T182 G201 A251	R180-A199 HydrophobicContact CG-CB 3.67Å; R180-A199 PolarHBondContact O-N 3.22Å; T182-A199 HydrophobicContact CG2-CB 4.06Å; A199-G201 VanDerWaalsContact C-N 3.28Å; A199-A251 HydrophobicContact CB-CB 4.11Å; A199-A251 VanDerWaalsContact O-CA 3.32Å; A199-A251 WeakPolarHBondContact O-CA 3.48Å
200	S	96.4	Very high	95.4	Very high	32 Å²	32	28.9 Å²	28.9	22%	0.224	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-10	171	54.6	0	0	0	0	114.5	D177 S179 H198 Y202	D177-S200 PolarHBondContact OD1-OG 3.24Å; D177-S200 WeakPolarHBondContact OD2-CB 3.25Å; D177-S200 PolarHBondContact OD2-OG 3.39Å; S179-S200 WeakPolarHBondContact OG-CB 3.5Å; S179-S200 PolarHBondContact OG-N 2.82Å; S179-S200 VanDerWaalsContact OG-N 3.09Å; S179-S200 PolarHBondContact OG-OG 3.11Å; H198-S200 VanDerWaalsContact CB-OG 3.29Å; H198-S200 WeakPolarHBondContact CB-OG 3.24Å; H198-S200 PolarHBondContact O-N 3.12Å; H198-S200 VanDerWaalsContact O-N 3.1Å; S200-Y202 VanDerWaalsContact OG-CD2 3.26Å; S200-Y202 WeakPolarHBondContact OG-CD2 3.35Å
201	G	96.3	Very high	95.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	90.1	8	-175.4	0	0	0	0	0	114.7	H198 A199 I247 G250	H198-G201 PolarHBondContact O-N 3.1Å; H198-G201 VanDerWaalsContact O-N 3.12Å; A199-G201 VanDerWaalsContact C-N 3.28Å; G201-I247 PolarHBondContact O-N 2.9Å; G201-I247 VanDerWaalsContact O-N 3.07Å; G201-G250 WeakPolarHBondContact CA-O 3.38Å; G201-G250 PolarHBondContact N-O 2.79Å; G201-G250 VanDerWaalsContact N-O 3.15Å
202	Y	97.5	Very high	95.4	Very high	72 Å²	72	27 Å²	27	28%	0.282	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	146.3	178.2	-57.7	-61.5	0	0	0	112.6	H198 S200 Y204 R244 W245 T246	H198-Y202 PolarHBondContact N-O 3.37Å; S200-Y202 VanDerWaalsContact OG-CD2 3.26Å; S200-Y202 WeakPolarHBondContact OG-CD2 3.35Å; Y202-Y204 WeakPolarHBondContact CD2-OH 3.11Å; Y202-R244 HydrophobicContact CD1-CG 4.16Å; Y202-R244 HydrophobicContact CG-CG 4.43Å; Y202-W245 CarbonylContact C-O 3.49Å; Y202-W245 WeakPolarHBondContact CA-O 3.45Å; Y202-T246 HydrophobicContact CD1-CG2 4.15Å; Y202-T246 WeakPolarHBondContact CD1-OG1 3.34Å; Y202-T246 HydrophobicContact CE1-CG2 3.63Å; Y202-T246 VanDerWaalsContact CE1-OG1 3.27Å; Y202-T246 WeakPolarHBondContact CE1-OG1 3.3Å
203	L	98.1	Very high	94.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.8	161.2	-64.5	67.7	0	0	0	109.7	L195 V196 R244 W245 I247 V252 F255 V266	L195-L203 HydrophobicContact CD1-CB 3.91Å; L195-L203 HydrophobicContact CD1-CD2 4.17Å; L195-L203 HydrophobicContact CD2-CD2 3.99Å; L195-L203 HydrophobicContact CG-CD2 4.18Å; V196-L203 CarbonylContact O-C 3.59Å; V196-L203 WeakPolarHBondContact O-CA 3.5Å; L203-R244 CarbonylContact O-C 3.44Å; L203-R244 WeakPolarHBondContact O-CA 3.25Å; L203-W245 HydrophobicContact CB-CB 4.12Å; L203-W245 PolarHBondContact N-O 2.83Å; L203-W245 PolarHBondContact O-N 2.78Å; L203-I247 HydrophobicContact CD1-CB 4.43Å; L203-I247 HydrophobicContact CD1-CD1 4.27Å; L203-I247 HydrophobicContact CD1-CG1 3.36Å; L203-V252 HydrophobicContact CD1-CB 4.37Å; L203-V252 HydrophobicContact CD1-CG1 4.12Å; L203-V252 HydrophobicContact CD1-CG2 3.84Å; L203-F255 HydrophobicContact CD2-CD1 4.25Å; L203-F255 HydrophobicContact CD2-CG 4.36Å; L203-V266 HydrophobicContact CD1-CG1 4.49Å; L203-V266 HydrophobicContact CD2-CG2 4.27Å
204	Y	97.7	Very high	93.9	Very high	4 Å²	4	26 Å²	26	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.8	179.3	-60.6	-84.3	0	0	0	110.6	I176 D177 V196 H198 Y202 Y206 P241 Y243 R244	I176-Y204 HydrophobicContact CG2-CD1 3.78Å; I176-Y204 HydrophobicContact CG2-CE1 3.53Å; I176-Y204 HydrophobicContact CG2-CE2 4.36Å; I176-Y204 HydrophobicContact CG2-CG 4.28Å; I176-Y204 PolarHBondContact O-OH 2.89Å; D177-Y204 HydrophobicContact CB-CE2 3.84Å; D177-Y204 WeakPolarHBondContact OD2-CE2 3.34Å; D177-Y204 PolarHBondContact OD2-OH 3.36Å; V196-Y204 PolarHBondContact N-O 2.75Å; V196-Y204 PolarHBondContact O-N 3.08Å; H198-Y204 AromaticContact CD2-CD2 3.5Å; H198-Y204 VanDerWaalsContact CD2-CD2 3.5Å; H198-Y204 WeakPolarHBondContact CD2-CD2 3.18Å; H198-Y204 AromaticContact CD2-CE2 3.67Å; H198-Y204 AromaticContact NE2-CD2 3.8Å; Y202-Y204 WeakPolarHBondContact CD2-OH 3.11Å; Y204-Y206 VanDerWaalsContact CB-CE2 3.45Å; Y204-Y206 HydrophobicContact CG-CE2 4.37Å; Y204-P241 HydrophobicContact CD1-CB 4Å; Y204-P241 HydrophobicContact CD1-CG 4.05Å; Y204-Y243 WeakPolarHBondContact CA-O 3.37Å; Y204-R244 HydrophobicContact CD1-CB 3.89Å; Y204-R244 HydrophobicContact CD1-CG 3.96Å; Y204-R244 HydrophobicContact CE1-CB 3.78Å; Y204-R244 HydrophobicContact CE1-CG 3.43Å; Y204-R244 VanDerWaalsContact CE1-CG 3.43Å
205	V	97.2	Very high	93.3	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.03	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.4	171.2	-178.5	0	0	0	0	108.4	I187 L195 L242 Y243	I187-V205 HydrophobicContact CD1-CG1 4.17Å; L195-V205 HydrophobicContact CD1-CG2 3.84Å; V205-L242 HydrophobicContact CB-CB 4.36Å; V205-L242 HydrophobicContact CG1-CB 4.34Å; V205-L242 HydrophobicContact CG1-CD1 4.23Å; V205-L242 WeakPolarHBondContact O-CB 3.46Å; V205-L242 PolarHBondContact O-N 2.9Å; V205-Y243 HydrophobicContact CB-CD2 4.34Å; V205-Y243 HydrophobicContact CG2-CD2 4.42Å; V205-Y243 PolarHBondContact N-O 3.26Å
206	Y	97	Very high	92.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	156.8	175.7	-72.7	-97.4	0	0	0	110.8	I154 F170 I176 H193 F194 V196 Y204 N240 P241	I154-Y206 HydrophobicContact CD1-CE2 4.02Å; F170-Y206 HydrophobicContact CB-CD1 4.26Å; F170-Y206 HydrophobicContact CB-CE1 4.1Å; F170-Y206 AromaticContact CD1-CD1 3.95Å; F170-Y206 HydrophobicContact CD1-CD1 3.95Å; F170-Y206 HydrophobicContact CG-CD1 4.38Å; I176-Y206 HydrophobicContact CD1-CE1 3.9Å; I176-Y206 VanDerWaalsContact CD1-OH 3.28Å; I176-Y206 WeakPolarHBondContact CD1-OH 3.46Å; H193-Y206 WeakPolarHBondContact CA-O 3.3Å; F194-Y206 HydrophobicContact CD2-CD2 4.4Å; F194-Y206 VanDerWaalsContact CE1-CB 3.48Å; F194-Y206 HydrophobicContact CE1-CG 4.44Å; F194-Y206 VanDerWaalsContact CE2-CB 3.46Å; F194-Y206 AromaticContact CE2-CD2 3.77Å; F194-Y206 HydrophobicContact CE2-CD2 3.77Å; F194-Y206 AromaticContact CE2-CG 3.72Å; F194-Y206 HydrophobicContact CE2-CG 3.72Å; F194-Y206 HydrophobicContact CZ-CD1 4.27Å; F194-Y206 HydrophobicContact CZ-CD2 4.23Å; F194-Y206 AromaticContact CZ-CG 3.69Å; F194-Y206 HydrophobicContact CZ-CG 3.69Å; F194-Y206 PolarHBondContact N-O 3.29Å; F194-Y206 PolarHBondContact O-N 3.15Å; V196-Y206 HydrophobicContact CB-CE2 4.45Å; V196-Y206 HydrophobicContact CG2-CD2 3.99Å; V196-Y206 HydrophobicContact CG2-CE2 4.17Å; Y204-Y206 VanDerWaalsContact CB-CE2 3.45Å; Y204-Y206 HydrophobicContact CG-CE2 4.37Å; Y206-N240 WeakPolarHBondContact CA-OD1 3.27Å; Y206-N240 HydrophobicContact CD1-CB 3.62Å; Y206-N240 VanDerWaalsContact CD1-CG 3.49Å; Y206-N240 HydrophobicContact CE1-CB 3.94Å; Y206-P241 HydrophobicContact CE1-CB 4.45Å
207	N	95.3	Very high	92.2	Very high	16 Å²	16	36.4 Å²	36.4	9%	0.086	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.9	163.9	176.8	-60.7	0	0	0	109.3	Q192 H193 D209 L210 N240 L242	Q192-N207 CarbonylContact O-C 3.44Å; Q192-N207 VanDerWaalsContact O-CA 3.27Å; Q192-N207 WeakPolarHBondContact O-CA 3.36Å; H193-N207 PolarHBondContact CE1-ND2 2.92Å; N207-D209 PolarHBondContact O-N 3.09Å; N207-D209 WeakPolarHBondContact OD1-CA 3.29Å; N207-D209 WeakPolarHBondContact OD1-CB 3.44Å; N207-D209 PolarHBondContact OD1-N 3.42Å; N207-L210 HydrophobicContact CB-CB 4.43Å; N207-L210 HydrophobicContact CB-CD1 3.93Å; N207-L210 HydrophobicContact CB-CG 3.96Å; N207-L210 PolarHBondContact O-N 3.14Å; N207-L210 VanDerWaalsContact O-N 3.14Å; N207-N240 PolarHBondContact N-OD1 3.5Å; N207-N240 PolarHBondContact O-ND2 2.87Å; N207-L242 HydrophobicContact CB-CD1 3.9Å
208	V	93.5	Very high	91.9	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.036	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.9	-175.6	169.7	0	0	0	0	113.1	L156 R168 W186 Q192 F194 L210	L156-V208 HydrophobicContact CD2-CG1 3.5Å; L156-V208 VanDerWaalsContact CD2-CG1 3.5Å; L156-V208 HydrophobicContact CD2-CG2 4.26Å; R168-V208 PolarHBondContact NH1-O 2.85Å; W186-V208 HydrophobicContact CH2-CG2 3.64Å; W186-V208 HydrophobicContact CZ3-CG2 3.74Å; Q192-V208 WeakPolarHBondContact O-CG2 3.47Å; Q192-V208 PolarHBondContact O-N 2.91Å; F194-V208 HydrophobicContact CD1-CG2 3.98Å; F194-V208 HydrophobicContact CE1-CG2 3.88Å; V208-L210 VanDerWaalsContact C-N 3.34Å
209	D	92.2	Very high	91.6	Very high	87 Å²	87	41.2 Å²	41.2	47%	0.465	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.1	-177	-67.7	-25.6	0	0	0	114	R168 Q192 N207	R168-D209 IonicContact NH1-OD1 3.37Å; R168-D209 PolarHBondContact NH1-OD1 3.34Å; R168-D209 VanDerWaalsContact NH1-OD1 3.14Å; Q192-D209 PolarHBondContact NE2-OD2 3.12Å; Q192-D209 PolarHBondContact OE1-OD2 3.33Å; N207-D209 PolarHBondContact O-N 3.09Å; N207-D209 WeakPolarHBondContact OD1-CA 3.29Å; N207-D209 WeakPolarHBondContact OD1-CB 3.44Å; N207-D209 PolarHBondContact OD1-N 3.42Å
210	L	92.9	Very high	91.5	Very high	40 Å²	40	44.2 Å²	44.2	21%	0.209	25%	0.254	C	S	.	.	S	Bend	trans	-95.2	141	177.7	-58.8	-176.7	0	0	0	111.3	N207 V208 N240 L242	N207-L210 HydrophobicContact CB-CB 4.43Å; N207-L210 HydrophobicContact CB-CD1 3.93Å; N207-L210 HydrophobicContact CB-CG 3.96Å; N207-L210 PolarHBondContact O-N 3.14Å; N207-L210 VanDerWaalsContact O-N 3.14Å; V208-L210 VanDerWaalsContact C-N 3.34Å; L210-N240 PolarHBondContact O-ND2 2.97Å; L210-L242 HydrophobicContact CD1-CD2 3.59Å; L210-L242 HydrophobicContact CD1-CG 4.27Å
211	T	90	Very high	91.4	Very high	101 Å²	101	47.3 Å²	47.3	62%	0.62	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-83.3	151.6	174.7	57.5	0	0	0	0	111.4	N240	T211-N240 PolarHBondContact O-N 2.84Å
212	C	87.1	Confident	91.3	Very high	33 Å²	33	52.6 Å²	52.6	22%	0.223	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-80.3	150.8	166.8	-61.9	0	0	0	0	110.4	N171 I176	N171-C212 PolarHBondContact N-SG 2.61Å; I176-C212 HydrophobicContact CD1-CB 4.34Å
213	S	78.1	Confident	91.2	Very high	16 Å²	16	51.7 Å²	51.7	11%	0.112	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-83.5	141.6	171	55.8	0	0	0	0	112	T175 S215	T175-S213 PolarHBondContact OG1-O 3.12Å; S213-S215 PolarHBondContact O-N 3.01Å; S213-S215 PolarHBondContact OG-O 3.32Å
214	C	75.8	Confident	91	Very high	106 Å²	106	57.6 Å²	57.6	72%	0.716	32%	0.316	S	S	*	.	S	Bend	trans	-70.7	-8.1	170.8	-58	0	0	0	0	113.6	D173	D173-C214 WeakPolarHBondContact OD2-CA 3.37Å; D173-C214 PolarHBondContact OD2-SG 2.69Å
215	S	84.8	Confident	90.7	Very high	75 Å²	75	58.3 Å²	58.3	52%	0.524	32%	0.324	S	S	.	.	S	Bend	trans	-105.6	155.6	174.6	62.3	0	0	0	0	111.1	S213 P217	S213-S215 PolarHBondContact O-N 3.01Å; S213-S215 PolarHBondContact OG-O 3.32Å; S215-P217 WeakPolarHBondContact O-CD 3.26Å
216	L	86.9	Confident	90.1	Very high	133 Å²	133	64.6 Å²	64.6	70%	0.696	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-53.8	122	171.3	-176.5	65.1	0	0	0	110.3	T175	T175-L216 WeakPolarHBondContact O-CD1 3.09Å
217	P	87.8	Confident	89.5	Confident	10 Å²	10	68.4 Å²	68.4	7%	0.065	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-64.2	140.8	178.1	-20.8	31.4	0	0	0	112	I176 S215 Y219	I176-P217 HydrophobicContact CG1-CG 4.05Å; S215-P217 WeakPolarHBondContact O-CD 3.26Å; P217-Y219 HydrophobicContact CB-CE1 4.32Å; P217-Y219 HydrophobicContact CB-CE2 4.03Å; P217-Y219 WeakPolarHBondContact O-CD2 3.48Å; P217-Y219 WeakPolarHBondContact O-CE2 3.47Å
218	S	90.4	Very high	89.5	Confident	67 Å²	67	68.2 Å²	68.2	47%	0.469	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-90.6	134.7	169.9	-172.7	0	0	0	0	109.7	C233 K234	S218-C233 CarbonylContact O-C 3.51Å; S218-C233 WeakPolarHBondContact O-CA 3.31Å; S218-K234 PolarHBondContact O-N 3.21Å
219	Y	92.6	Very high	89.6	Confident	35 Å²	35	68.4 Å²	68.4	14%	0.137	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.9	-175.2	-65	-75.8	0	0	0	111.5	P217 H231 T232 K234 P241 R244	P217-Y219 HydrophobicContact CB-CE1 4.32Å; P217-Y219 HydrophobicContact CB-CE2 4.03Å; P217-Y219 WeakPolarHBondContact O-CD2 3.48Å; P217-Y219 WeakPolarHBondContact O-CE2 3.47Å; Y219-H231 HydrophobicContact CD1-CB 4.16Å; Y219-H231 HydrophobicContact CG-CB 4.37Å; Y219-T232 WeakPolarHBondContact CA-O 3.28Å; Y219-K234 WeakPolarHBondContact O-CE 3.43Å; Y219-P241 HydrophobicContact CE1-CG 4.08Å; Y219-P241 WeakPolarHBondContact OH-CG 3.37Å; Y219-R244 HydrophobicContact CD1-CB 4.08Å; Y219-R244 VanDerWaalsContact CD2-CZ 3.43Å; Y219-R244 VanDerWaalsContact CD2-NH1 3.29Å; Y219-R244 HydrophobicContact CE1-CB 3.69Å
220	Q	93.9	Very high	89.9	Confident	90 Å²	90	64.2 Å²	64.2	42%	0.421	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145	163.6	57.5	-167.7	2.8	0	0	109.8	F222 H231 T232 K234	Q220-F222 PolarHBondContact O-N 3.48Å; Q220-H231 CarbonylContact O-C 3.48Å; Q220-H231 WeakPolarHBondContact O-CA 3.36Å; Q220-H231 WeakPolarHBondContact O-CB 3.33Å; Q220-T232 HydrophobicContact CG-CG2 3.53Å; Q220-T232 PolarHBondContact N-O 3.13Å; Q220-T232 PolarHBondContact O-N 2.9Å; Q220-K234 HydrophobicContact CB-CD 4Å; Q220-K234 HydrophobicContact CB-CG 3.66Å; Q220-K234 HydrophobicContact CG-CG 3.8Å
221	L	95.5	Very high	90	Very high	98 Å²	98	63.9 Å²	63.9	51%	0.513	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	126.4	172.5	-175.9	67	0	0	0	109.1	K223 Q224 A229	L221-K223 WeakPolarHBondContact CD1-O 3.38Å; L221-Q224 HydrophobicContact CD1-CB 4.36Å; L221-Q224 HydrophobicContact CD2-CB 4.26Å; L221-A229 HydrophobicContact CD1-CB 4.21Å
222	F	93.8	Very high	90.2	Very high	111 Å²	111	60.6 Å²	60.6	49%	0.487	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-44.3	174.6	178	-103.5	0	0	0	110.3	Q220 V230 T232 Y243 M281	Q220-F222 PolarHBondContact O-N 3.48Å; F222-V230 WeakPolarHBondContact CA-O 3.29Å; F222-V230 HydrophobicContact CB-CG1 4.48Å; F222-V230 WeakPolarHBondContact CB-O 3.35Å; F222-V230 HydrophobicContact CD1-CB 4.47Å; F222-V230 HydrophobicContact CD1-CG1 4.14Å; F222-V230 PolarHBondContact N-O 2.77Å; F222-T232 HydrophobicContact CB-CG2 4.2Å; F222-T232 HydrophobicContact CD2-CG2 4.38Å; F222-Y243 HydrophobicContact CD1-CE1 4.08Å; F222-Y243 HydrophobicContact CD2-CE1 4.36Å; F222-Y243 HydrophobicContact CE1-CE1 4.24Å; F222-Y243 HydrophobicContact CG-CE1 4.14Å; F222-Y243 HydrophobicContact CZ-CE1 4.45Å; F222-M281 HydrophobicContact CD1-SD 4.03Å; F222-M281 HydrophobicContact CE1-SD 3.74Å
223	K	94.8	Very high	90.2	Very high	52 Å²	52	59.8 Å²	59.8	23%	0.226	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	136.9	177.6	-168.8	161	-177.7	160.2	0	110.6	L221 A229 V230 T280 M281 E282	L221-K223 WeakPolarHBondContact CD1-O 3.38Å; K223-A229 CarbonylContact O-C 3.59Å; K223-V230 HydrophobicContact CB-CB 4.22Å; K223-V230 PolarHBondContact N-O 2.96Å; K223-V230 PolarHBondContact O-N 3.33Å; K223-T280 PolarHBondContact NZ-O 3.08Å; K223-M281 HydrophobicContact CD-CB 4.15Å; K223-M281 WeakPolarHBondContact CD-O 2.94Å; K223-M281 VanDerWaalsContact CE-O 3.32Å; K223-M281 WeakPolarHBondContact CE-O 3.32Å; K223-E282 IonicContact NZ-OE1 2.82Å; K223-E282 PolarHBondContact NZ-OE1 2.95Å
224	Q	94.3	Very high	90.7	Very high	124 Å²	124	64.5 Å²	64.5	58%	0.579	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.4	171.1	-176.7	64.3	44.3	0	0	108	L221 F228	L221-Q224 HydrophobicContact CD1-CB 4.36Å; L221-Q224 HydrophobicContact CD2-CB 4.26Å; Q224-F228 PolarHBondContact NE2-O 2.81Å
225	G	90.7	Very high	91	Very high	19 Å²	19	62.4 Å²	62.4	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	-178.9	170.8	0	0	0	0	0	112	C227 F228	G225-C227 PolarHBondContact O-N 2.96Å; G225-F228 CarbonylContact C-O 3.5Å; G225-F228 PolarHBondContact N-O 3.49Å
226	D	85.2	Confident	90.8	Very high	137 Å²	137	69.4 Å²	69.4	73%	0.733	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	117.5	177.7	-65.9	-27.8	0	0	0	109.3	F228	D226-F228 WeakPolarHBondContact O-CD1 3.5Å; D226-F228 PolarHBondContact O-N 3.14Å
227	C	84.8	Confident	90.7	Very high	80 Å²	80	66.4 Å²	66.4	54%	0.541	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	20.8	-177.8	-53.9	0	0	0	0	115.2	G225 R274	G225-C227 PolarHBondContact O-N 2.96Å; C227-R274 PolarHBondContact O-NE 2.64Å
228	F	94.3	Very high	90.6	Very high	13 Å²	13	70.4 Å²	70.4	6%	0.057	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	161.5	168.6	76.6	-75.8	0	0	0	112.7	Q224 G225 D226 V230 T246 I247 F276 M281 L283	Q224-F228 PolarHBondContact NE2-O 2.81Å; G225-F228 CarbonylContact C-O 3.5Å; G225-F228 PolarHBondContact N-O 3.49Å; D226-F228 WeakPolarHBondContact O-CD1 3.5Å; D226-F228 PolarHBondContact O-N 3.14Å; F228-V230 HydrophobicContact CD2-CG2 4.15Å; F228-V230 HydrophobicContact CE2-CG2 4.12Å; F228-T246 CarbonylContact C-O 3.53Å; F228-T246 WeakPolarHBondContact CA-O 3.31Å; F228-T246 WeakPolarHBondContact CB-O 3.32Å; F228-I247 HydrophobicContact CB-CD1 4.24Å; F228-F276 HydrophobicContact CB-CE1 4.22Å; F228-F276 HydrophobicContact CB-CZ 4.17Å; F228-F276 AromaticContact CD1-CE1 3.66Å; F228-F276 HydrophobicContact CD1-CE1 3.66Å; F228-F276 HydrophobicContact CD1-CZ 4.35Å; F228-F276 AromaticContact CD2-CE1 3.83Å; F228-F276 HydrophobicContact CD2-CE1 3.83Å; F228-F276 HydrophobicContact CD2-CZ 4.45Å; F228-F276 AromaticContact CE1-CE1 3.88Å; F228-F276 HydrophobicContact CE1-CE1 3.88Å; F228-F276 HydrophobicContact CE2-CD1 4.44Å; F228-F276 HydrophobicContact CE2-CE1 4.04Å; F228-F276 AromaticContact CG-CE1 3.63Å; F228-F276 HydrophobicContact CG-CE1 3.63Å; F228-F276 HydrophobicContact CG-CZ 4.09Å; F228-F276 HydrophobicContact CZ-CD1 4.41Å; F228-F276 HydrophobicContact CZ-CE1 4.07Å; F228-M281 WeakPolarHBondContact CE2-O 3.3Å; F228-M281 WeakPolarHBondContact CZ-O 3.13Å; F228-L283 HydrophobicContact CD1-CB 4.36Å; F228-L283 HydrophobicContact CE1-CB 3.76Å
229	A	96.4	Very high	90.6	Very high	9 Å²	9	72.1 Å²	72.1	7%	0.074	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	139.7	171	0	0	0	0	0	111	L221 K223 W245 T246	L221-A229 HydrophobicContact CD1-CB 4.21Å; K223-A229 CarbonylContact O-C 3.59Å; A229-W245 CarbonylContact O-C 3.6Å; A229-W245 WeakPolarHBondContact O-CA 3.34Å; A229-T246 PolarHBondContact N-O 3.01Å; A229-T246 PolarHBondContact O-N 3.24Å
230	V	97	Very high	90.7	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.5	174.2	-174.2	0	0	0	0	109	F222 K223 F228 Y243 W245 M281	F222-V230 WeakPolarHBondContact CA-O 3.29Å; F222-V230 HydrophobicContact CB-CG1 4.48Å; F222-V230 WeakPolarHBondContact CB-O 3.35Å; F222-V230 HydrophobicContact CD1-CB 4.47Å; F222-V230 HydrophobicContact CD1-CG1 4.14Å; F222-V230 PolarHBondContact N-O 2.77Å; K223-V230 HydrophobicContact CB-CB 4.22Å; K223-V230 PolarHBondContact N-O 2.96Å; K223-V230 PolarHBondContact O-N 3.33Å; F228-V230 HydrophobicContact CD2-CG2 4.15Å; F228-V230 HydrophobicContact CE2-CG2 4.12Å; V230-Y243 HydrophobicContact CG1-CD1 3.92Å; V230-Y243 HydrophobicContact CG1-CG 4.43Å; V230-W245 HydrophobicContact CG1-CG 4.34Å; V230-W245 HydrophobicContact CG2-CD2 3.63Å; V230-W245 HydrophobicContact CG2-CE3 4.06Å; V230-W245 HydrophobicContact CG2-CG 3.93Å; V230-W245 HydrophobicContact CG2-CZ2 4.2Å; V230-M281 HydrophobicContact CB-SD 4.48Å; V230-M281 HydrophobicContact CG1-SD 3.87Å; V230-M281 HydrophobicContact CG2-CB 4.48Å; V230-M281 HydrophobicContact CG2-SD 4.34Å
231	H	95.7	Very high	90.7	Very high	33 Å²	33	66.2 Å²	66.2	15%	0.153	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.6	175.4	-57.2	79.6	0	0	0	110.4	Y219 Q220 Y243 R244	Y219-H231 HydrophobicContact CD1-CB 4.16Å; Y219-H231 HydrophobicContact CG-CB 4.37Å; Q220-H231 CarbonylContact O-C 3.48Å; Q220-H231 WeakPolarHBondContact O-CA 3.36Å; Q220-H231 WeakPolarHBondContact O-CB 3.33Å; H231-Y243 CarbonylContact O-C 3.57Å; H231-Y243 VanDerWaalsContact O-CA 3.26Å; H231-Y243 WeakPolarHBondContact O-CA 3.37Å; H231-R244 HydrophobicContact CB-CB 4.4Å; H231-R244 PolarHBondContact N-O 2.86Å; H231-R244 PolarHBondContact O-N 3.29Å
232	T	94.1	Very high	90.6	Very high	32 Å²	32	63.3 Å²	63.3	20%	0.196	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	157	170.4	-173.1	0	0	0	0	110.4	Y219 Q220 F222 L242	Y219-T232 WeakPolarHBondContact CA-O 3.28Å; Q220-T232 HydrophobicContact CG-CG2 3.53Å; Q220-T232 PolarHBondContact N-O 3.13Å; Q220-T232 PolarHBondContact O-N 2.9Å; F222-T232 HydrophobicContact CB-CG2 4.2Å; F222-T232 HydrophobicContact CD2-CG2 4.38Å; T232-L242 PolarHBondContact OG1-O 2.87Å
233	C	88.3	Confident	90.7	Very high	15 Å²	15	61.1 Å²	61.1	10%	0.101	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.2	-176.4	-161.3	0	0	0	0	111.7	S218 T235	S218-C233 CarbonylContact O-C 3.51Å; S218-C233 WeakPolarHBondContact O-CA 3.31Å; C233-T235 HydrophobicContact CB-CG2 4.49Å; C233-T235 PolarHBondContact O-N 3.02Å; C233-T235 WeakPolarHBondContact SG-CG2 3.48Å
234	K	87.5	Confident	90.8	Very high	115 Å²	115	60.9 Å²	60.9	50%	0.5	31%	0.314	S	S	.	.			trans	-77.3	81.3	174.5	-59	-165	-154.3	-136.6	0	110.3	S218 Y219 Q220	S218-K234 PolarHBondContact O-N 3.21Å; Y219-K234 WeakPolarHBondContact O-CE 3.43Å; Q220-K234 HydrophobicContact CB-CD 4Å; Q220-K234 HydrophobicContact CB-CG 3.66Å; Q220-K234 HydrophobicContact CG-CG 3.8Å
235	T	83.1	Confident	90.9	Very high	63 Å²	63	55 Å²	55	39%	0.387	29%	0.286	S	S	.	.			trans	-135.3	151.4	-179.7	56.2	0	0	0	0	111.7	C233 T237	C233-T235 HydrophobicContact CB-CG2 4.49Å; C233-T235 PolarHBondContact O-N 3.02Å; C233-T235 WeakPolarHBondContact SG-CG2 3.48Å; T235-T237 VanDerWaalsContact C-N 3.29Å; T235-T237 WeakPolarHBondContact CB-O 3.48Å; T235-T237 PolarHBondContact OG1-O 3Å
236	K	80.6	Confident	91.2	Very high	221 Å²	221	55.9 Å²	55.9	96%	0.961	29%	0.288	S	S	*	.	S	Bend	trans	-77	-18	174.3	-65.8	-175.1	179.7	-179.2	0	112.8
237	T	84.9	Confident	91.8	Very high	70 Å²	70	49.6 Å²	49.6	43%	0.429	25%	0.254	S	S	.	.	S	Bend	trans	-129.7	136.2	-175.7	57.3	0	0	0	0	108.4	T235 R239	T235-T237 VanDerWaalsContact C-N 3.29Å; T235-T237 WeakPolarHBondContact CB-O 3.48Å; T235-T237 PolarHBondContact OG1-O 3Å; T237-R239 PolarHBondContact O-N 2.69Å; T237-R239 PolarHBondContact OG1-NE 3.16Å; T237-R239 PolarHBondContact OG1-NH2 3.3Å
238	S	85.5	Confident	92.1	Very high	94 Å²	94	46.6 Å²	46.6	66%	0.657	23%	0.234	S	C	*	.			trans	-54.4	122.9	174.5	-54.8	0	0	0	0	111.1
239	R	90.6	Very high	91.7	Very high	103 Å²	103	52.9 Å²	52.9	39%	0.389	27%	0.268	S	S	.	.			trans	-144.6	159.6	178.9	-68.7	-176.6	-168.1	174	2	109.8	T237 P241	T237-R239 PolarHBondContact O-N 2.69Å; T237-R239 PolarHBondContact OG1-NE 3.16Å; T237-R239 PolarHBondContact OG1-NH2 3.3Å; R239-P241 CarbonylContact O-C 3.57Å
240	N	93.4	Very high	91.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-78.9	145.2	169.9	-80.2	-34.7	0	0	0	111.4	Y206 N207 L210 T211	Y206-N240 WeakPolarHBondContact CA-OD1 3.27Å; Y206-N240 HydrophobicContact CD1-CB 3.62Å; Y206-N240 VanDerWaalsContact CD1-CG 3.49Å; Y206-N240 HydrophobicContact CE1-CB 3.94Å; N207-N240 PolarHBondContact N-OD1 3.5Å; N207-N240 PolarHBondContact O-ND2 2.87Å; L210-N240 PolarHBondContact O-ND2 2.97Å; T211-N240 PolarHBondContact O-N 2.84Å
241	P	94.2	Very high	91.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.			cis	-81.3	147.5	-4.4	33.5	-32.7	0	0	0	112.1	I176 Y204 Y206 Y219 R239	I176-P241 HydrophobicContact CD1-CG 4.37Å; I176-P241 HydrophobicContact CG2-CG 3.95Å; Y204-P241 HydrophobicContact CD1-CB 4Å; Y204-P241 HydrophobicContact CD1-CG 4.05Å; Y206-P241 HydrophobicContact CE1-CB 4.45Å; Y219-P241 HydrophobicContact CE1-CG 4.08Å; Y219-P241 WeakPolarHBondContact OH-CG 3.37Å; R239-P241 CarbonylContact O-C 3.57Å
242	L	93.9	Very high	91.4	Very high	38 Å²	38	52 Å²	52	20%	0.199	27%	0.269	C	S	.	.	S	Bend	trans	-69.9	-47.4	179.1	-70.7	177.1	0	0	0	112.1	V205 N207 L210 T232	V205-L242 HydrophobicContact CB-CB 4.36Å; V205-L242 HydrophobicContact CG1-CB 4.34Å; V205-L242 HydrophobicContact CG1-CD1 4.23Å; V205-L242 WeakPolarHBondContact O-CB 3.46Å; V205-L242 PolarHBondContact O-N 2.9Å; N207-L242 HydrophobicContact CB-CD1 3.9Å; L210-L242 HydrophobicContact CD1-CD2 3.59Å; L210-L242 HydrophobicContact CD1-CG 4.27Å; T232-L242 PolarHBondContact OG1-O 2.87Å
243	Y	95.5	Very high	91.6	Very high	64 Å²	64	52 Å²	52	25%	0.251	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	146.9	177.4	-64.8	-77.3	0	0	0	110.3	Y204 V205 F222 V230 H231 M281	Y204-Y243 WeakPolarHBondContact CA-O 3.37Å; V205-Y243 HydrophobicContact CB-CD2 4.34Å; V205-Y243 HydrophobicContact CG2-CD2 4.42Å; V205-Y243 PolarHBondContact N-O 3.26Å; F222-Y243 HydrophobicContact CD1-CE1 4.08Å; F222-Y243 HydrophobicContact CD2-CE1 4.36Å; F222-Y243 HydrophobicContact CE1-CE1 4.24Å; F222-Y243 HydrophobicContact CG-CE1 4.14Å; F222-Y243 HydrophobicContact CZ-CE1 4.45Å; V230-Y243 HydrophobicContact CG1-CD1 3.92Å; V230-Y243 HydrophobicContact CG1-CG 4.43Å; H231-Y243 CarbonylContact O-C 3.57Å; H231-Y243 VanDerWaalsContact O-CA 3.26Å; H231-Y243 WeakPolarHBondContact O-CA 3.37Å; Y243-M281 HydrophobicContact CD1-CE 4.44Å; Y243-M281 HydrophobicContact CD2-CE 4.18Å; Y243-M281 HydrophobicContact CE1-CE 4.3Å; Y243-M281 HydrophobicContact CE2-CE 4.03Å; Y243-M281 HydrophobicContact CG-CE 4.38Å
244	R	96.4	Very high	92	Very high	48 Å²	48	52.2 Å²	52.2	18%	0.181	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	113.1	167.2	176.6	-175.2	72	175.4	4	108.9	Y202 L203 Y204 Y219 H231	Y202-R244 HydrophobicContact CD1-CG 4.16Å; Y202-R244 HydrophobicContact CG-CG 4.43Å; L203-R244 CarbonylContact O-C 3.44Å; L203-R244 WeakPolarHBondContact O-CA 3.25Å; Y204-R244 HydrophobicContact CD1-CB 3.89Å; Y204-R244 HydrophobicContact CD1-CG 3.96Å; Y204-R244 HydrophobicContact CE1-CB 3.78Å; Y204-R244 HydrophobicContact CE1-CG 3.43Å; Y204-R244 VanDerWaalsContact CE1-CG 3.43Å; Y219-R244 HydrophobicContact CD1-CB 4.08Å; Y219-R244 VanDerWaalsContact CD2-CZ 3.43Å; Y219-R244 VanDerWaalsContact CD2-NH1 3.29Å; Y219-R244 HydrophobicContact CE1-CB 3.69Å; H231-R244 HydrophobicContact CB-CB 4.4Å; H231-R244 PolarHBondContact N-O 2.86Å; H231-R244 PolarHBondContact O-N 3.29Å
245	W	97.7	Very high	92.5	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128	172.7	-70.1	50.4	0	0	0	109	Y202 L203 A229 V230 I247 F276 M281	Y202-W245 CarbonylContact C-O 3.49Å; Y202-W245 WeakPolarHBondContact CA-O 3.45Å; L203-W245 HydrophobicContact CB-CB 4.12Å; L203-W245 PolarHBondContact N-O 2.83Å; L203-W245 PolarHBondContact O-N 2.78Å; A229-W245 CarbonylContact O-C 3.6Å; A229-W245 WeakPolarHBondContact O-CA 3.34Å; V230-W245 HydrophobicContact CG1-CG 4.34Å; V230-W245 HydrophobicContact CG2-CD2 3.63Å; V230-W245 HydrophobicContact CG2-CE3 4.06Å; V230-W245 HydrophobicContact CG2-CG 3.93Å; V230-W245 HydrophobicContact CG2-CZ2 4.2Å; W245-I247 HydrophobicContact CB-CD1 4.31Å; W245-I247 HydrophobicContact CE3-CD1 4.14Å; W245-F276 HydrophobicContact CH2-CB 4.44Å; W245-F276 HydrophobicContact CH2-CG 4.49Å; W245-F276 HydrophobicContact CZ3-CB 4.17Å; W245-F276 AromaticContact CZ3-CD1 3.84Å; W245-F276 HydrophobicContact CZ3-CD1 3.84Å; W245-F276 HydrophobicContact CZ3-CD2 4.07Å; W245-F276 HydrophobicContact CZ3-CE1 4.2Å; W245-F276 HydrophobicContact CZ3-CE2 4.41Å; W245-F276 AromaticContact CZ3-CG 3.77Å; W245-F276 HydrophobicContact CZ3-CG 3.77Å; W245-F276 HydrophobicContact CZ3-CZ 4.46Å; W245-M281 HydrophobicContact CH2-CB 3.89Å; W245-M281 HydrophobicContact CH2-CG 4.05Å; W245-M281 HydrophobicContact CZ2-CB 3.84Å; W245-M281 HydrophobicContact CZ2-CE 4.3Å; W245-M281 HydrophobicContact CZ2-CG 3.57Å; W245-M281 HydrophobicContact CZ2-SD 3.85Å
246	T	97	Very high	93.2	Very high	37 Å²	37	46.9 Å²	46.9	23%	0.227	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.6	173.6	-56.8	0	0	0	0	107.8	Y202 F228 A229	Y202-T246 HydrophobicContact CD1-CG2 4.15Å; Y202-T246 WeakPolarHBondContact CD1-OG1 3.34Å; Y202-T246 HydrophobicContact CE1-CG2 3.63Å; Y202-T246 VanDerWaalsContact CE1-OG1 3.27Å; Y202-T246 WeakPolarHBondContact CE1-OG1 3.3Å; F228-T246 CarbonylContact C-O 3.53Å; F228-T246 WeakPolarHBondContact CA-O 3.31Å; F228-T246 WeakPolarHBondContact CB-O 3.32Å; A229-T246 PolarHBondContact N-O 3.01Å; A229-T246 PolarHBondContact O-N 3.24Å
247	I	96.1	Very high	94.1	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	20%	0.197	C	C	.	.			trans	-106.2	-49.1	-172.7	-59.9	-57.3	0	0	0	112.2	G201 L203 F228 W245 V252 V266 R274 F276	G201-I247 PolarHBondContact O-N 2.9Å; G201-I247 VanDerWaalsContact O-N 3.07Å; L203-I247 HydrophobicContact CD1-CB 4.43Å; L203-I247 HydrophobicContact CD1-CD1 4.27Å; L203-I247 HydrophobicContact CD1-CG1 3.36Å; F228-I247 HydrophobicContact CB-CD1 4.24Å; W245-I247 HydrophobicContact CB-CD1 4.31Å; W245-I247 HydrophobicContact CE3-CD1 4.14Å; I247-V252 HydrophobicContact CB-CG2 4.04Å; I247-V252 HydrophobicContact CG1-CG2 4.34Å; I247-V252 HydrophobicContact CG2-CG2 4.22Å; I247-V266 HydrophobicContact CG2-CG1 4.23Å; I247-R274 PolarHBondContact O-NH2 2.79Å; I247-F276 HydrophobicContact CD1-CE2 3.88Å; I247-F276 HydrophobicContact CD1-CZ 3.76Å
248	C	91.1	Very high	94.6	Very high	16 Å²	16	34 Å²	34	11%	0.108	18%	0.177	C	C	.	.			trans	-151.3	165	-175.5	55.9	0	0	0	0	111.3	G250 S268 D270	C248-G250 VanDerWaalsContact C-N 3.34Å; C248-G250 PolarHBondContact O-N 2.8Å; C248-G250 PolarHBondContact SG-O 2.84Å; C248-S268 VanDerWaalsContact SG-CB 3.51Å; C248-D270 HydrophobicContact CB-CB 4.45Å; C248-D270 VanDerWaalsContact CB-OD2 3.24Å; C248-D270 WeakPolarHBondContact CB-OD2 3.38Å
249	D	86.3	Confident	94.9	Very high	145 Å²	145	33.2 Å²	33.2	78%	0.775	17%	0.17	S	C	*	.	S	Bend	trans	-92.7	71	167.9	-166.5	19.5	0	0	0	108.3
250	G	90.9	Very high	94.9	Very high	19 Å²	19	32.4 Å²	32.4	20%	0.196	17%	0.174	C	C	.	.	S	Bend	trans	166.3	173.5	-170.5	0	0	0	0	0	111.2	G201 C248	G201-G250 WeakPolarHBondContact CA-O 3.38Å; G201-G250 PolarHBondContact N-O 2.79Å; G201-G250 VanDerWaalsContact N-O 3.15Å; C248-G250 VanDerWaalsContact C-N 3.34Å; C248-G250 PolarHBondContact O-N 2.8Å; C248-G250 PolarHBondContact SG-O 2.84Å
251	A	95	Very high	94.8	Very high	6 Å²	6	32.9 Å²	32.9	5%	0.05	18%	0.179	C	C	.	.			trans	-70.4	134.8	-176.8	0	0	0	0	0	112.7	A199 S268 E269	A199-A251 HydrophobicContact CB-CB 4.11Å; A199-A251 VanDerWaalsContact O-CA 3.32Å; A199-A251 WeakPolarHBondContact O-CA 3.48Å; A251-S268 CarbonylContact O-C 3.54Å; A251-S268 WeakPolarHBondContact O-CA 3.43Å; A251-S268 WeakPolarHBondContact O-CB 3.48Å; A251-E269 HydrophobicContact CB-CB 4.3Å; A251-E269 WeakPolarHBondContact CB-OE2 3.41Å; A251-E269 PolarHBondContact N-OE2 3.04Å; A251-E269 WeakPolarHBondContact O-CB 3.4Å; A251-E269 PolarHBondContact O-N 2.67Å
252	V	97.6	Very high	94.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116	159.4	170.7	0	0	0	0	106.8	T182 L203 I247 V266	T182-V252 WeakPolarHBondContact CB-O 3.25Å; T182-V252 WeakPolarHBondContact CG2-O 3.29Å; T182-V252 PolarHBondContact OG1-O 2.86Å; L203-V252 HydrophobicContact CD1-CB 4.37Å; L203-V252 HydrophobicContact CD1-CG1 4.12Å; L203-V252 HydrophobicContact CD1-CG2 3.84Å; I247-V252 HydrophobicContact CB-CG2 4.04Å; I247-V252 HydrophobicContact CG1-CG2 4.34Å; I247-V252 HydrophobicContact CG2-CG2 4.22Å; V252-V266 HydrophobicContact CG1-CG1 3.65Å; V252-V266 HydrophobicContact CG2-CG1 4.25Å
253	N	97.2	Very high	94.8	Very high	31 Å²	31	39.7 Å²	39.7	17%	0.166	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-47.9	-173.4	-69.6	-41.3	0	0	0	111.3	V267 E269 L294 L295	N253-V267 PolarHBondContact N-O 2.78Å; N253-E269 PolarHBondContact ND2-N 2.93Å; N253-L294 PolarHBondContact ND2-O 2.81Å; N253-L295 WeakPolarHBondContact CB-O 3.27Å
254	E	97.9	Very high	94.9	Very high	20 Å²	20	36.6 Å²	36.6	9%	0.093	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	154.6	179.1	-174.3	163.2	-158.2	0	0	111	V267 C296 V297 K338	E254-V267 HydrophobicContact CB-CG2 3.84Å; E254-V267 PolarHBondContact N-O 2.86Å; E254-V267 VanDerWaalsContact O-CG2 3.3Å; E254-V267 WeakPolarHBondContact O-CG2 3.42Å; E254-V267 PolarHBondContact O-N 3.48Å; E254-C296 WeakPolarHBondContact OE2-CA 3.28Å; E254-C296 WeakPolarHBondContact OE2-CB 3.5Å; E254-V297 HydrophobicContact CB-CG1 4.34Å; E254-V297 HydrophobicContact CG-CG1 4Å; E254-K338 IonicContact OE1-NZ 2.59Å; E254-K338 PolarHBondContact OE1-NZ 3.38Å; E254-K338 IonicContact OE2-NZ 3.79Å; E254-K338 PolarHBondContact OE2-NZ 3.25Å
255	F	98.4	Very high	95	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.6	164.4	69.4	-91.9	0	0	0	110.1	C183 K185 L195 L203 F257 L264 A265 V266	C183-F255 HydrophobicContact CB-CD1 3.84Å; C183-F255 HydrophobicContact CB-CE1 3.72Å; C183-F255 WeakPolarHBondContact O-CE1 3.43Å; K185-F255 HydrophobicContact CB-CE2 3.83Å; K185-F255 HydrophobicContact CB-CZ 4.1Å; K185-F255 HydrophobicContact CG-CE2 3.99Å; K185-F255 HydrophobicContact CG-CZ 4.28Å; L195-F255 HydrophobicContact CB-CE2 3.98Å; L195-F255 HydrophobicContact CB-CZ 3.9Å; L195-F255 HydrophobicContact CD2-CD2 3.88Å; L195-F255 HydrophobicContact CD2-CE2 3.63Å; L195-F255 HydrophobicContact CD2-CG 4.5Å; L195-F255 HydrophobicContact CD2-CZ 4.08Å; L195-F255 HydrophobicContact CG-CD2 4.48Å; L195-F255 HydrophobicContact CG-CE1 4.33Å; L195-F255 HydrophobicContact CG-CE2 3.86Å; L195-F255 HydrophobicContact CG-CZ 3.78Å; L195-F255 WeakPolarHBondContact O-CZ 3.04Å; L203-F255 HydrophobicContact CD2-CD1 4.25Å; L203-F255 HydrophobicContact CD2-CG 4.36Å; F255-F257 HydrophobicContact CE2-CE2 4.1Å; F255-L264 HydrophobicContact CB-CD1 4.16Å; F255-L264 HydrophobicContact CD2-CD1 3.67Å; F255-L264 HydrophobicContact CG-CD1 4.3Å; F255-A265 CarbonylContact C-O 3.53Å; F255-A265 WeakPolarHBondContact CA-O 3.45Å; F255-A265 WeakPolarHBondContact CB-O 3.36Å; F255-V266 HydrophobicContact CB-CB 4.48Å; F255-V266 HydrophobicContact CB-CG2 4Å
256	Q	98	Very high	95	Very high	65 Å²	65	34.3 Å²	34.3	30%	0.304	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136	175.6	-160.3	-172.9	21.7	0	0	111	A265 V297 W299	Q256-A265 PolarHBondContact N-O 3.46Å; Q256-A265 PolarHBondContact O-N 3.28Å; Q256-V297 HydrophobicContact CB-CG1 4.1Å; Q256-V297 PolarHBondContact OE1-O 3.25Å; Q256-W299 PolarHBondContact O-NE1 2.86Å
257	F	97.6	Very high	95	Very high	17 Å²	17	32.5 Å²	32.5	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	146.1	167.7	-68.6	-81.1	0	0	0	110.4	K185 I187 P188 L195 F255 S263 L264 Y278 W299	K185-F257 HydrophobicContact CB-CE2 4.46Å; I187-F257 HydrophobicContact CB-CZ 4.43Å; I187-F257 HydrophobicContact CG1-CE2 4.13Å; I187-F257 HydrophobicContact CG1-CZ 3.73Å; P188-F257 VanDerWaalsContact CD-CD2 3.47Å; P188-F257 HydrophobicContact CG-CB 3.66Å; P188-F257 HydrophobicContact CG-CD1 4.34Å; P188-F257 HydrophobicContact CG-CD2 4.04Å; P188-F257 HydrophobicContact CG-CG 3.77Å; L195-F257 HydrophobicContact CB-CE2 4.37Å; L195-F257 HydrophobicContact CB-CZ 4.31Å; L195-F257 HydrophobicContact CD2-CE2 4.14Å; L195-F257 HydrophobicContact CD2-CZ 3.71Å; F255-F257 HydrophobicContact CE2-CE2 4.1Å; F257-S263 CarbonylContact C-O 3.51Å; F257-S263 WeakPolarHBondContact CA-O 3.28Å; F257-L264 HydrophobicContact CD1-CB 4.43Å; F257-L264 HydrophobicContact CD1-CD1 4.05Å; F257-L264 HydrophobicContact CD2-CD1 4.46Å; F257-L264 HydrophobicContact CE1-CB 4.46Å; F257-L264 HydrophobicContact CE1-CD1 3.98Å; F257-L264 HydrophobicContact CE2-CD1 4.4Å; F257-L264 HydrophobicContact CG-CD1 4.29Å; F257-L264 HydrophobicContact CZ-CD1 4.15Å; F257-Y278 HydrophobicContact CE1-CD1 4.02Å; F257-Y278 AromaticContact CE1-CD2 3.7Å; F257-Y278 HydrophobicContact CE1-CD2 3.7Å; F257-Y278 HydrophobicContact CE1-CE1 4.24Å; F257-Y278 AromaticContact CE1-CE2 3.94Å; F257-Y278 HydrophobicContact CE1-CE2 3.94Å; F257-Y278 AromaticContact CE1-CG 3.75Å; F257-Y278 HydrophobicContact CE1-CG 3.75Å; F257-Y278 HydrophobicContact CZ-CD2 4.31Å; F257-Y278 HydrophobicContact CZ-CE2 4.11Å; F257-W299 VanDerWaalsContact O-CD1 3.31Å
258	S	96.3	Very high	95.1	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	17%	0.171	C	C	.	.			trans	-62.9	154	167.6	53.5	0	0	0	0	110.6	D260 G261 R262 S263	S258-D260 VanDerWaalsContact CB-OD1 3.27Å; S258-D260 WeakPolarHBondContact CB-OD1 3.35Å; S258-D260 PolarHBondContact O-N 3.06Å; S258-D260 VanDerWaalsContact O-N 3.15Å; S258-D260 PolarHBondContact OG-OD1 2.75Å; S258-G261 WeakPolarHBondContact O-CA 3.36Å; S258-G261 PolarHBondContact O-N 2.55Å; S258-R262 PolarHBondContact OG-N 2.96Å; S258-S263 PolarHBondContact N-O 2.96Å; S258-S263 WeakPolarHBondContact OG-CA 3.42Å; S258-S263 PolarHBondContact OG-N 3.45Å; S258-S263 PolarHBondContact OG-O 3.21Å; S258-S263 VanDerWaalsContact OG-O 3.1Å
259	P	92.6	Very high	95.3	Very high	78 Å²	78	36.5 Å²	36.5	51%	0.506	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.9	177.4	-28.4	33.9	0	0	0	114.1	G261 W299 S300	P259-G261 VanDerWaalsContact C-N 3.3Å; P259-G261 PolarHBondContact O-N 2.87Å; P259-W299 HydrophobicContact CG-CB 4.42Å; P259-S300 WeakPolarHBondContact CG-O 3.39Å
260	D	89.4	Confident	95.7	Very high	86 Å²	86	31 Å²	31	46%	0.46	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.9	176.8	73.9	-12.4	0	0	0	114.4	S258 R262	S258-D260 VanDerWaalsContact CB-OD1 3.27Å; S258-D260 WeakPolarHBondContact CB-OD1 3.35Å; S258-D260 PolarHBondContact O-N 3.06Å; S258-D260 VanDerWaalsContact O-N 3.15Å; S258-D260 PolarHBondContact OG-OD1 2.75Å; D260-R262 VanDerWaalsContact C-N 3.28Å; D260-R262 PolarHBondContact O-N 2.8Å; D260-R262 PolarHBondContact OD1-N 2.73Å; D260-R262 WeakPolarHBondContact OD2-CD 3.45Å
261	G	91.6	Very high	95.9	Very high	11 Å²	11	30.1 Å²	30.1	11%	0.113	15%	0.151	C	C	.	.	S	Bend	trans	72.8	7.8	-179.9	0	0	0	0	0	115.8	S258 P259	S258-G261 WeakPolarHBondContact O-CA 3.36Å; S258-G261 PolarHBondContact O-N 2.55Å; P259-G261 VanDerWaalsContact C-N 3.3Å; P259-G261 PolarHBondContact O-N 2.87Å
262	R	93.4	Very high	95.9	Very high	168 Å²	168	32 Å²	32	63%	0.634	16%	0.157	S	C	*	.	S	Bend	trans	-94.1	-39	-174.8	-62.6	-177.7	-179.3	174.2	0.5	113.8	S258 D260 Y278	S258-R262 PolarHBondContact OG-N 2.96Å; D260-R262 VanDerWaalsContact C-N 3.28Å; D260-R262 PolarHBondContact O-N 2.8Å; D260-R262 PolarHBondContact OD1-N 2.73Å; D260-R262 WeakPolarHBondContact OD2-CD 3.45Å; R262-Y278 PolarHBondContact O-N 3.14Å
263	S	94.7	Very high	95.9	Very high	13 Å²	13	32 Å²	32	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140	-177.3	-58	0	0	0	0	111.5	F257 S258 F276	F257-S263 CarbonylContact C-O 3.51Å; F257-S263 WeakPolarHBondContact CA-O 3.28Å; S258-S263 PolarHBondContact N-O 2.96Å; S258-S263 WeakPolarHBondContact OG-CA 3.42Å; S258-S263 PolarHBondContact OG-N 3.45Å; S258-S263 PolarHBondContact OG-O 3.21Å; S258-S263 VanDerWaalsContact OG-O 3.1Å; S263-F276 CarbonylContact C-O 3.53Å; S263-F276 VanDerWaalsContact CA-O 3.31Å; S263-F276 WeakPolarHBondContact CA-O 3.35Å
264	L	97.6	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.4	176.4	174.1	68.9	0	0	0	109.6	L195 F255 F257 V266 V275 F276 Y278	L195-L264 HydrophobicContact CD2-CD1 4.03Å; L195-L264 HydrophobicContact CD2-CD2 3.78Å; F255-L264 HydrophobicContact CB-CD1 4.16Å; F255-L264 HydrophobicContact CD2-CD1 3.67Å; F255-L264 HydrophobicContact CG-CD1 4.3Å; F257-L264 HydrophobicContact CD1-CB 4.43Å; F257-L264 HydrophobicContact CD1-CD1 4.05Å; F257-L264 HydrophobicContact CD2-CD1 4.46Å; F257-L264 HydrophobicContact CE1-CB 4.46Å; F257-L264 HydrophobicContact CE1-CD1 3.98Å; F257-L264 HydrophobicContact CE2-CD1 4.4Å; F257-L264 HydrophobicContact CG-CD1 4.29Å; F257-L264 HydrophobicContact CZ-CD1 4.15Å; L264-V266 HydrophobicContact CD2-CG2 4.14Å; L264-V266 HydrophobicContact CG-CG2 3.99Å; L264-V275 CarbonylContact O-C 3.6Å; L264-V275 WeakPolarHBondContact O-CA 3.45Å; L264-F276 HydrophobicContact CB-CB 4.37Å; L264-F276 PolarHBondContact N-O 3.48Å; L264-F276 PolarHBondContact O-N 3.27Å; L264-Y278 HydrophobicContact CB-CD2 4.46Å; L264-Y278 HydrophobicContact CD2-CD2 4.09Å
265	A	98.2	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.5	173.6	0	0	0	0	0	110.4	F255 Q256 L273 R274 V297 W299 I306	F255-A265 CarbonylContact C-O 3.53Å; F255-A265 WeakPolarHBondContact CA-O 3.45Å; F255-A265 WeakPolarHBondContact CB-O 3.36Å; Q256-A265 PolarHBondContact N-O 3.46Å; Q256-A265 PolarHBondContact O-N 3.28Å; A265-L273 HydrophobicContact CB-CD1 4.08Å; A265-R274 CarbonylContact C-O 3.53Å; A265-V297 HydrophobicContact CB-CG2 3.79Å; A265-W299 HydrophobicContact CB-CZ2 3.72Å; A265-I306 HydrophobicContact CB-CD1 4.01Å
266	V	98.2	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.8	180	-175.1	0	0	0	0	109.3	L203 I247 V252 F255 L264 L273 R274 F276	L203-V266 HydrophobicContact CD1-CG1 4.49Å; L203-V266 HydrophobicContact CD2-CG2 4.27Å; I247-V266 HydrophobicContact CG2-CG1 4.23Å; V252-V266 HydrophobicContact CG1-CG1 3.65Å; V252-V266 HydrophobicContact CG2-CG1 4.25Å; F255-V266 HydrophobicContact CB-CB 4.48Å; F255-V266 HydrophobicContact CB-CG2 4Å; L264-V266 HydrophobicContact CD2-CG2 4.14Å; L264-V266 HydrophobicContact CG-CG2 3.99Å; V266-L273 WeakPolarHBondContact O-CA 3.29Å; V266-R274 PolarHBondContact N-O 2.87Å; V266-R274 PolarHBondContact O-N 3.02Å; V266-F276 HydrophobicContact CB-CE2 4.3Å; V266-F276 HydrophobicContact CG2-CD2 3.97Å; V266-F276 HydrophobicContact CG2-CE2 3.91Å
267	V	98	Very high	95.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.9	175.1	-69.4	0	0	0	0	111.2	N253 E254 L273 L294 V297 T308	N253-V267 PolarHBondContact N-O 2.78Å; E254-V267 HydrophobicContact CB-CG2 3.84Å; E254-V267 PolarHBondContact N-O 2.86Å; E254-V267 VanDerWaalsContact O-CG2 3.3Å; E254-V267 WeakPolarHBondContact O-CG2 3.42Å; E254-V267 PolarHBondContact O-N 3.48Å; V267-L273 HydrophobicContact CG1-CB 4.29Å; V267-L273 HydrophobicContact CG1-CD1 3.74Å; V267-L294 HydrophobicContact CB-CB 3.7Å; V267-L294 HydrophobicContact CG1-CB 3.86Å; V267-L294 HydrophobicContact CG1-CD1 4.05Å; V267-V297 HydrophobicContact CG1-CB 3.86Å; V267-V297 HydrophobicContact CG1-CG1 4.44Å; V267-V297 HydrophobicContact CG1-CG2 4.35Å; V267-V297 HydrophobicContact CG2-CB 4.12Å; V267-V297 HydrophobicContact CG2-CG1 4.05Å; V267-T308 HydrophobicContact CG1-CG2 3.97Å
268	S	96.8	Very high	95.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	162.9	-172.3	41.5	0	0	0	0	113.4	C248 A251 D270 G271 Y272 R274 L294	C248-S268 VanDerWaalsContact SG-CB 3.51Å; A251-S268 CarbonylContact O-C 3.54Å; A251-S268 WeakPolarHBondContact O-CA 3.43Å; A251-S268 WeakPolarHBondContact O-CB 3.48Å; S268-D270 WeakPolarHBondContact CB-OD1 3.34Å; S268-D270 PolarHBondContact O-N 3.01Å; S268-D270 PolarHBondContact OG-OD1 3.25Å; S268-G271 PolarHBondContact O-N 3.49Å; S268-G271 VanDerWaalsContact O-N 3.09Å; S268-Y272 PolarHBondContact N-O 3.35Å; S268-Y272 PolarHBondContact OG-O 2.7Å; S268-R274 PolarHBondContact OG-NH1 3.07Å; S268-L294 PolarHBondContact O-N 3.07Å; S268-L294 VanDerWaalsContact O-N 3.08Å
269	E	95.5	Very high	95.5	Very high	104 Å²	104	35.8 Å²	35.8	49%	0.486	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.9	179	-170.7	176.1	-171.6	0	0	113.1	A251 N253 G271 G293	A251-E269 HydrophobicContact CB-CB 4.3Å; A251-E269 WeakPolarHBondContact CB-OE2 3.41Å; A251-E269 PolarHBondContact N-OE2 3.04Å; A251-E269 WeakPolarHBondContact O-CB 3.4Å; A251-E269 PolarHBondContact O-N 2.67Å; N253-E269 PolarHBondContact ND2-N 2.93Å; E269-G271 PolarHBondContact O-N 2.87Å; E269-G271 VanDerWaalsContact O-N 3.16Å; E269-G293 WeakPolarHBondContact O-CA 3.19Å
270	D	94.4	Very high	95.6	Very high	31 Å²	31	35 Å²	35	17%	0.166	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-1.7	173.9	68.3	-1.8	0	0	0	114.4	C248 S268 Y272 R274 R288	C248-D270 HydrophobicContact CB-CB 4.45Å; C248-D270 VanDerWaalsContact CB-OD2 3.24Å; C248-D270 WeakPolarHBondContact CB-OD2 3.38Å; S268-D270 WeakPolarHBondContact CB-OD1 3.34Å; S268-D270 PolarHBondContact O-N 3.01Å; S268-D270 PolarHBondContact OG-OD1 3.25Å; D270-Y272 HydrophobicContact CB-CD2 4.28Å; D270-Y272 PolarHBondContact OD1-N 2.6Å; D270-Y272 VanDerWaalsContact OD1-N 3.1Å; D270-R274 IonicContact OD1-NH1 3.04Å; D270-R274 PolarHBondContact OD1-NH1 3.44Å; D270-R274 IonicContact OD2-CZ 2.71Å; D270-R274 IonicContact OD2-NH1 2.87Å; D270-R274 PolarHBondContact OD2-NH1 3.15Å; D270-R274 IonicContact OD2-NH2 2.74Å; D270-R274 PolarHBondContact OD2-NH2 3.39Å; D270-R288 PolarHBondContact O-NH1 3.38Å
271	G	94.9	Very high	95.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	85.5	10.3	176.7	0	0	0	0	0	114.5	S268 E269 R288 S289 G292	S268-G271 PolarHBondContact O-N 3.49Å; S268-G271 VanDerWaalsContact O-N 3.09Å; E269-G271 PolarHBondContact O-N 2.87Å; E269-G271 VanDerWaalsContact O-N 3.16Å; G271-R288 CarbonylContact O-C 3.48Å; G271-R288 WeakPolarHBondContact O-CA 3.23Å; G271-S289 WeakPolarHBondContact CA-OG 3.34Å; G271-S289 PolarHBondContact O-N 2.63Å; G271-S289 PolarHBondContact O-OG 2.92Å; G271-G292 WeakPolarHBondContact CA-O 3.47Å
272	Y	96.2	Very high	96	Very high	46 Å²	46	36.2 Å²	36.2	18%	0.18	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.4	-178.8	-73.1	-87.2	0	0	0	113	S268 D270 R274 L286 M287 R288	S268-Y272 PolarHBondContact N-O 3.35Å; S268-Y272 PolarHBondContact OG-O 2.7Å; D270-Y272 HydrophobicContact CB-CD2 4.28Å; D270-Y272 PolarHBondContact OD1-N 2.6Å; D270-Y272 VanDerWaalsContact OD1-N 3.1Å; Y272-R274 VanDerWaalsContact CB-NH1 3.3Å; Y272-L286 HydrophobicContact CD1-CD1 3.69Å; Y272-L286 HydrophobicContact CD1-CD2 4.01Å; Y272-L286 HydrophobicContact CD1-CG 3.81Å; Y272-L286 HydrophobicContact CE1-CD1 4.45Å; Y272-L286 HydrophobicContact CE1-CD2 3.95Å; Y272-L286 HydrophobicContact CE1-CG 4.23Å; Y272-L286 HydrophobicContact CG-CD1 4.32Å; Y272-M287 CarbonylContact C-O 3.55Å; Y272-M287 VanDerWaalsContact CA-O 3.3Å; Y272-M287 WeakPolarHBondContact CA-O 3.44Å; Y272-R288 HydrophobicContact CD1-CB 3.95Å; Y272-R288 HydrophobicContact CD1-CG 4.41Å; Y272-R288 HydrophobicContact CE1-CB 3.85Å; Y272-R288 HydrophobicContact CE1-CG 4.18Å
273	L	97.5	Very high	96.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.5	158.4	167.4	69.5	0	0	0	107.3	A265 V266 V267 V275 L286 M287 L294 V297 I306 T308 Y318	A265-L273 HydrophobicContact CB-CD1 4.08Å; V266-L273 WeakPolarHBondContact O-CA 3.29Å; V267-L273 HydrophobicContact CG1-CB 4.29Å; V267-L273 HydrophobicContact CG1-CD1 3.74Å; L273-V275 HydrophobicContact CD1-CG2 4.41Å; L273-V275 HydrophobicContact CD2-CG2 4.34Å; L273-V275 HydrophobicContact CG-CG2 4.18Å; L273-L286 WeakPolarHBondContact O-CA 3.35Å; L273-M287 HydrophobicContact CB-CB 4.17Å; L273-M287 HydrophobicContact CB-CE 3.91Å; L273-M287 HydrophobicContact CD2-CB 4.3Å; L273-M287 HydrophobicContact CD2-CE 3.7Å; L273-M287 HydrophobicContact CD2-SD 4.43Å; L273-M287 HydrophobicContact CG-CE 4.44Å; L273-M287 PolarHBondContact N-O 2.9Å; L273-M287 PolarHBondContact O-N 3.41Å; L273-L294 HydrophobicContact CB-CD1 3.74Å; L273-V297 HydrophobicContact CD1-CG2 4.13Å; L273-I306 HydrophobicContact CD1-CG2 4.3Å; L273-I306 HydrophobicContact CD2-CB 4.47Å; L273-I306 HydrophobicContact CD2-CD1 4.41Å; L273-I306 HydrophobicContact CD2-CG2 4.04Å; L273-T308 HydrophobicContact CB-CG2 4.35Å; L273-T308 HydrophobicContact CD1-CG2 4.03Å; L273-T308 HydrophobicContact CD2-CG2 3.85Å; L273-T308 HydrophobicContact CG-CG2 4.29Å; L273-Y318 HydrophobicContact CD2-CD1 4.22Å; L273-Y318 HydrophobicContact CD2-CG 4.01Å
274	R	97.3	Very high	96.1	Very high	8 Å²	8	33 Å²	33	3%	0.03	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124	173.7	-67.8	167.7	178.8	83	-2.1	108.9	C227 I247 A265 V266 S268 D270 Y272 F276 L283 L286	C227-R274 PolarHBondContact O-NE 2.64Å; I247-R274 PolarHBondContact O-NH2 2.79Å; A265-R274 CarbonylContact C-O 3.53Å; V266-R274 PolarHBondContact N-O 2.87Å; V266-R274 PolarHBondContact O-N 3.02Å; S268-R274 PolarHBondContact OG-NH1 3.07Å; D270-R274 IonicContact OD1-NH1 3.04Å; D270-R274 PolarHBondContact OD1-NH1 3.44Å; D270-R274 IonicContact OD2-CZ 2.71Å; D270-R274 IonicContact OD2-NH1 2.87Å; D270-R274 PolarHBondContact OD2-NH1 3.15Å; D270-R274 IonicContact OD2-NH2 2.74Å; D270-R274 PolarHBondContact OD2-NH2 3.39Å; Y272-R274 VanDerWaalsContact CB-NH1 3.3Å; R274-F276 HydrophobicContact CB-CD2 4.33Å; R274-F276 HydrophobicContact CB-CE2 3.56Å; R274-F276 HydrophobicContact CB-CZ 3.8Å; R274-F276 HydrophobicContact CG-CZ 4.41Å; R274-L283 HydrophobicContact CB-CD1 3.82Å; R274-L283 HydrophobicContact CG-CD1 4.15Å; R274-L286 HydrophobicContact CB-CD1 4.46Å; R274-L286 HydrophobicContact CG-CD1 3.52Å
275	V	97.5	Very high	95.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.2	176.1	-173.5	0	0	0	0	107.9	L264 L273 Q284 G285 W299 I306 Y318	L264-V275 CarbonylContact O-C 3.6Å; L264-V275 WeakPolarHBondContact O-CA 3.45Å; L273-V275 HydrophobicContact CD1-CG2 4.41Å; L273-V275 HydrophobicContact CD2-CG2 4.34Å; L273-V275 HydrophobicContact CG-CG2 4.18Å; V275-Q284 PolarHBondContact O-N 2.73Å; V275-G285 PolarHBondContact N-O 2.73Å; V275-G285 PolarHBondContact O-N 3.32Å; V275-W299 HydrophobicContact CG1-CH2 3.89Å; V275-W299 HydrophobicContact CG1-CZ2 4.16Å; V275-I306 HydrophobicContact CG1-CD1 4.25Å; V275-I306 HydrophobicContact CG2-CD1 3.42Å; V275-I306 VanDerWaalsContact CG2-CD1 3.42Å; V275-Y318 HydrophobicContact CG2-CD1 4.37Å; V275-Y318 HydrophobicContact CG2-CE1 4.03Å
276	F	97	Very high	95.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	145.9	-179.9	-61.7	-79.9	0	0	0	111.3	F228 W245 I247 S263 L264 V266 R274 Y278 E282 L283	F228-F276 HydrophobicContact CB-CE1 4.22Å; F228-F276 HydrophobicContact CB-CZ 4.17Å; F228-F276 AromaticContact CD1-CE1 3.66Å; F228-F276 HydrophobicContact CD1-CE1 3.66Å; F228-F276 HydrophobicContact CD1-CZ 4.35Å; F228-F276 AromaticContact CD2-CE1 3.83Å; F228-F276 HydrophobicContact CD2-CE1 3.83Å; F228-F276 HydrophobicContact CD2-CZ 4.45Å; F228-F276 AromaticContact CE1-CE1 3.88Å; F228-F276 HydrophobicContact CE1-CE1 3.88Å; F228-F276 HydrophobicContact CE2-CD1 4.44Å; F228-F276 HydrophobicContact CE2-CE1 4.04Å; F228-F276 AromaticContact CG-CE1 3.63Å; F228-F276 HydrophobicContact CG-CE1 3.63Å; F228-F276 HydrophobicContact CG-CZ 4.09Å; F228-F276 HydrophobicContact CZ-CD1 4.41Å; F228-F276 HydrophobicContact CZ-CE1 4.07Å; W245-F276 HydrophobicContact CH2-CB 4.44Å; W245-F276 HydrophobicContact CH2-CG 4.49Å; W245-F276 HydrophobicContact CZ3-CB 4.17Å; W245-F276 AromaticContact CZ3-CD1 3.84Å; W245-F276 HydrophobicContact CZ3-CD1 3.84Å; W245-F276 HydrophobicContact CZ3-CD2 4.07Å; W245-F276 HydrophobicContact CZ3-CE1 4.2Å; W245-F276 HydrophobicContact CZ3-CE2 4.41Å; W245-F276 AromaticContact CZ3-CG 3.77Å; W245-F276 HydrophobicContact CZ3-CG 3.77Å; W245-F276 HydrophobicContact CZ3-CZ 4.46Å; I247-F276 HydrophobicContact CD1-CE2 3.88Å; I247-F276 HydrophobicContact CD1-CZ 3.76Å; S263-F276 CarbonylContact C-O 3.53Å; S263-F276 VanDerWaalsContact CA-O 3.31Å; S263-F276 WeakPolarHBondContact CA-O 3.35Å; L264-F276 HydrophobicContact CB-CB 4.37Å; L264-F276 PolarHBondContact N-O 3.48Å; L264-F276 PolarHBondContact O-N 3.27Å; V266-F276 HydrophobicContact CB-CE2 4.3Å; V266-F276 HydrophobicContact CG2-CD2 3.97Å; V266-F276 HydrophobicContact CG2-CE2 3.91Å; R274-F276 HydrophobicContact CB-CD2 4.33Å; R274-F276 HydrophobicContact CB-CE2 3.56Å; R274-F276 HydrophobicContact CB-CZ 3.8Å; R274-F276 HydrophobicContact CG-CZ 4.41Å; F276-Y278 PolarHBondContact O-N 3.17Å; F276-E282 CarbonylContact C-O 3.04Å; F276-E282 WeakPolarHBondContact CA-O 3.14Å; F276-L283 HydrophobicContact CD1-CB 4.24Å; F276-L283 HydrophobicContact CD1-CD1 4.05Å; F276-L283 HydrophobicContact CE1-CB 4.15Å; F276-L283 HydrophobicContact CE1-CD1 3.7Å; F276-L283 HydrophobicContact CZ-CD1 4.06Å
277	D	96	Very high	95.6	Very high	35 Å²	35	34.7 Å²	34.7	19%	0.187	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	116.2	152.8	-174.8	-35.2	0	0	0	107.7	H279 T280 M281 E282 Q284	D277-H279 VanDerWaalsContact C-N 3.34Å; D277-H279 PolarHBondContact O-N 2.64Å; D277-H279 PolarHBondContact OD1-N 3.18Å; D277-T280 WeakPolarHBondContact CB-OG1 3.34Å; D277-T280 PolarHBondContact OD1-N 3.18Å; D277-T280 VanDerWaalsContact OD1-N 3.1Å; D277-T280 PolarHBondContact OD1-OG1 3.49Å; D277-T280 WeakPolarHBondContact OD2-CG2 3.25Å; D277-T280 PolarHBondContact OD2-OG1 3.16Å; D277-M281 VanDerWaalsContact O-CA 3.24Å; D277-M281 WeakPolarHBondContact O-CA 3.47Å; D277-M281 PolarHBondContact O-N 3.39Å; D277-E282 PolarHBondContact N-O 3.43Å; D277-E282 PolarHBondContact O-N 3.44Å; D277-Q284 HydrophobicContact CB-CG 3.97Å
278	Y	95.1	Very high	95.4	Very high	31 Å²	31	36.6 Å²	36.6	12%	0.122	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-34.5	-174.4	-178.7	-109.5	0	0	0	112.6	I187 F257 R262 L264 F276	I187-Y278 WeakPolarHBondContact CD1-OH 3.43Å; I187-Y278 HydrophobicContact CG2-CE1 3.89Å; F257-Y278 HydrophobicContact CE1-CD1 4.02Å; F257-Y278 AromaticContact CE1-CD2 3.7Å; F257-Y278 HydrophobicContact CE1-CD2 3.7Å; F257-Y278 HydrophobicContact CE1-CE1 4.24Å; F257-Y278 AromaticContact CE1-CE2 3.94Å; F257-Y278 HydrophobicContact CE1-CE2 3.94Å; F257-Y278 AromaticContact CE1-CG 3.75Å; F257-Y278 HydrophobicContact CE1-CG 3.75Å; F257-Y278 HydrophobicContact CZ-CD2 4.31Å; F257-Y278 HydrophobicContact CZ-CE2 4.11Å; R262-Y278 PolarHBondContact O-N 3.14Å; L264-Y278 HydrophobicContact CB-CD2 4.46Å; L264-Y278 HydrophobicContact CD2-CD2 4.09Å; F276-Y278 PolarHBondContact O-N 3.17Å
279	H	93.3	Very high	95.3	Very high	138 Å²	138	36.6 Å²	36.6	64%	0.639	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-42.3	-174.7	-68.4	79.5	0	0	0	111.5	D277 M281	D277-H279 VanDerWaalsContact C-N 3.34Å; D277-H279 PolarHBondContact O-N 2.64Å; D277-H279 PolarHBondContact OD1-N 3.18Å; H279-M281 VanDerWaalsContact C-N 3.33Å
280	T	94.7	Very high	95.2	Very high	62 Å²	62	35.1 Å²	35.1	38%	0.38	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.6	177.6	67	0	0	0	0	112.4	K223 D277 E282	K223-T280 PolarHBondContact NZ-O 3.08Å; D277-T280 WeakPolarHBondContact CB-OG1 3.34Å; D277-T280 PolarHBondContact OD1-N 3.18Å; D277-T280 VanDerWaalsContact OD1-N 3.1Å; D277-T280 PolarHBondContact OD1-OG1 3.49Å; D277-T280 WeakPolarHBondContact OD2-CG2 3.25Å; D277-T280 PolarHBondContact OD2-OG1 3.16Å; T280-E282 VanDerWaalsContact C-N 3.34Å
281	M	94.8	Very high	95.2	Very high	21 Å²	21	39.2 Å²	39.2	10%	0.103	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	44.6	-175.8	-49.8	-170.6	173.3	0	0	112.1	F222 K223 F228 V230 Y243 W245 D277 H279	F222-M281 HydrophobicContact CD1-SD 4.03Å; F222-M281 HydrophobicContact CE1-SD 3.74Å; K223-M281 HydrophobicContact CD-CB 4.15Å; K223-M281 WeakPolarHBondContact CD-O 2.94Å; K223-M281 VanDerWaalsContact CE-O 3.32Å; K223-M281 WeakPolarHBondContact CE-O 3.32Å; F228-M281 WeakPolarHBondContact CE2-O 3.3Å; F228-M281 WeakPolarHBondContact CZ-O 3.13Å; V230-M281 HydrophobicContact CB-SD 4.48Å; V230-M281 HydrophobicContact CG1-SD 3.87Å; V230-M281 HydrophobicContact CG2-CB 4.48Å; V230-M281 HydrophobicContact CG2-SD 4.34Å; Y243-M281 HydrophobicContact CD1-CE 4.44Å; Y243-M281 HydrophobicContact CD2-CE 4.18Å; Y243-M281 HydrophobicContact CE1-CE 4.3Å; Y243-M281 HydrophobicContact CE2-CE 4.03Å; Y243-M281 HydrophobicContact CG-CE 4.38Å; W245-M281 HydrophobicContact CH2-CB 3.89Å; W245-M281 HydrophobicContact CH2-CG 4.05Å; W245-M281 HydrophobicContact CZ2-CB 3.84Å; W245-M281 HydrophobicContact CZ2-CE 4.3Å; W245-M281 HydrophobicContact CZ2-CG 3.57Å; W245-M281 HydrophobicContact CZ2-SD 3.85Å; D277-M281 VanDerWaalsContact O-CA 3.24Å; D277-M281 WeakPolarHBondContact O-CA 3.47Å; D277-M281 PolarHBondContact O-N 3.39Å; H279-M281 VanDerWaalsContact C-N 3.33Å
282	E	94.6	Very high	95.2	Very high	101 Å²	101	40.7 Å²	40.7	47%	0.472	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143	-177.9	-66.5	-173.4	173	0	0	111.6	K223 F276 D277 T280 Q284	K223-E282 IonicContact NZ-OE1 2.82Å; K223-E282 PolarHBondContact NZ-OE1 2.95Å; F276-E282 CarbonylContact C-O 3.04Å; F276-E282 WeakPolarHBondContact CA-O 3.14Å; D277-E282 PolarHBondContact N-O 3.43Å; D277-E282 PolarHBondContact O-N 3.44Å; T280-E282 VanDerWaalsContact C-N 3.34Å; E282-Q284 PolarHBondContact O-N 3.18Å
283	L	95.3	Very high	95.1	Very high	52 Å²	52	38.5 Å²	38.5	27%	0.272	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	114.6	173.3	-174.1	71.8	0	0	0	109	F228 R274 F276 G285	F228-L283 HydrophobicContact CD1-CB 4.36Å; F228-L283 HydrophobicContact CE1-CB 3.76Å; R274-L283 HydrophobicContact CB-CD1 3.82Å; R274-L283 HydrophobicContact CG-CD1 4.15Å; F276-L283 HydrophobicContact CD1-CB 4.24Å; F276-L283 HydrophobicContact CD1-CD1 4.05Å; F276-L283 HydrophobicContact CE1-CB 4.15Å; F276-L283 HydrophobicContact CE1-CD1 3.7Å; F276-L283 HydrophobicContact CZ-CD1 4.06Å; L283-G285 WeakPolarHBondContact CD1-O 3.48Å
284	Q	94.3	Very high	95.1	Very high	61 Å²	61	38.5 Å²	38.5	29%	0.285	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-38.8	176.2	-70.9	-173.9	-12.2	0	0	112.1	V275 D277 E282 K323	V275-Q284 PolarHBondContact O-N 2.73Å; D277-Q284 HydrophobicContact CB-CG 3.97Å; E282-Q284 PolarHBondContact O-N 3.18Å; Q284-K323 VanDerWaalsContact O-CD 3.27Å; Q284-K323 WeakPolarHBondContact O-CD 3.3Å; Q284-K323 WeakPolarHBondContact O-CE 3.5Å; Q284-K323 PolarHBondContact O-NZ 3.13Å
285	G	93.5	Very high	95.2	Very high	7 Å²	7	39.6 Å²	39.6	7%	0.072	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	151.4	-171.8	0	0	0	0	0	112.6	V275 L283 Y318	V275-G285 PolarHBondContact N-O 2.73Å; V275-G285 PolarHBondContact O-N 3.32Å; L283-G285 WeakPolarHBondContact CD1-O 3.48Å; G285-Y318 VanDerWaalsContact CA-OH 3.23Å; G285-Y318 WeakPolarHBondContact CA-OH 3.2Å
286	L	94.8	Very high	95.2	Very high	30 Å²	30	39.5 Å²	39.5	16%	0.157	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.2	-179.9	-169.8	72	0	0	0	109.1	Y272 L273 R274 Y318 L547	Y272-L286 HydrophobicContact CD1-CD1 3.69Å; Y272-L286 HydrophobicContact CD1-CD2 4.01Å; Y272-L286 HydrophobicContact CD1-CG 3.81Å; Y272-L286 HydrophobicContact CE1-CD1 4.45Å; Y272-L286 HydrophobicContact CE1-CD2 3.95Å; Y272-L286 HydrophobicContact CE1-CG 4.23Å; Y272-L286 HydrophobicContact CG-CD1 4.32Å; L273-L286 WeakPolarHBondContact O-CA 3.35Å; R274-L286 HydrophobicContact CB-CD1 4.46Å; R274-L286 HydrophobicContact CG-CD1 3.52Å; L286-Y318 PolarHBondContact N-OH 3.28Å; L286-L547 HydrophobicContact CB-CD2 3.92Å; L286-L547 HydrophobicContact CD2-CD1 4.17Å; L286-L547 HydrophobicContact CD2-CD2 4.19Å; L286-L547 HydrophobicContact CG-CD2 4.24Å; L286-L547 VanDerWaalsContact O-CD2 3.28Å; L286-L547 WeakPolarHBondContact O-CD2 3.29Å
287	M	95.4	Very high	95.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147	171.5	171.4	-174.9	83.8	0	0	108.8	Y272 L273 L294 T308 Y318 T325	Y272-M287 CarbonylContact C-O 3.55Å; Y272-M287 VanDerWaalsContact CA-O 3.3Å; Y272-M287 WeakPolarHBondContact CA-O 3.44Å; L273-M287 HydrophobicContact CB-CB 4.17Å; L273-M287 HydrophobicContact CB-CE 3.91Å; L273-M287 HydrophobicContact CD2-CB 4.3Å; L273-M287 HydrophobicContact CD2-CE 3.7Å; L273-M287 HydrophobicContact CD2-SD 4.43Å; L273-M287 HydrophobicContact CG-CE 4.44Å; L273-M287 PolarHBondContact N-O 2.9Å; L273-M287 PolarHBondContact O-N 3.41Å; M287-L294 HydrophobicContact CE-CD1 4.15Å; M287-T308 HydrophobicContact CE-CG2 3.92Å; M287-T308 VanDerWaalsContact CE-OG1 3.25Å; M287-T308 WeakPolarHBondContact CE-OG1 3.19Å; M287-Y318 HydrophobicContact CB-CD2 3.72Å; M287-Y318 HydrophobicContact CB-CE2 3.88Å; M287-Y318 HydrophobicContact CG-CD2 4.26Å; M287-Y318 HydrophobicContact SD-CD2 3.92Å; M287-Y318 HydrophobicContact SD-CG 4.38Å; M287-T325 VanDerWaalsContact CG-OG1 3.29Å; M287-T325 WeakPolarHBondContact CG-OG1 3.31Å; M287-T325 HydrophobicContact SD-CG2 4.12Å; M287-T325 PolarHBondContact SD-OG1 2.76Å
288	R	95.2	Very high	95.4	Very high	39 Å²	39	38 Å²	38	15%	0.147	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.6	173.5	-176.8	179.4	179.5	70.8	7.9	110.4	D270 G271 Y272 L547 C548	D270-R288 PolarHBondContact O-NH1 3.38Å; G271-R288 CarbonylContact O-C 3.48Å; G271-R288 WeakPolarHBondContact O-CA 3.23Å; Y272-R288 HydrophobicContact CD1-CB 3.95Å; Y272-R288 HydrophobicContact CD1-CG 4.41Å; Y272-R288 HydrophobicContact CE1-CB 3.85Å; Y272-R288 HydrophobicContact CE1-CG 4.18Å; R288-L547 PolarHBondContact N-O 2.76Å; R288-C548 HydrophobicContact CB-CB 4.1Å
289	S	95	Very high	95.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.			trans	-57.8	161.2	170.6	57.1	0	0	0	0	111	G271 F291 G292 C548	G271-S289 WeakPolarHBondContact CA-OG 3.34Å; G271-S289 PolarHBondContact O-N 2.63Å; G271-S289 PolarHBondContact O-OG 2.92Å; S289-F291 VanDerWaalsContact C-N 3.34Å; S289-F291 PolarHBondContact OG-O 3.42Å; S289-G292 PolarHBondContact OG-O 2.65Å; S289-C548 PolarHBondContact O-SG 3.23Å
290	Y	93.2	Very high	95.5	Very high	74 Å²	74	30.5 Å²	30.5	29%	0.29	15%	0.154	S	C	.	.	S	Bend	trans	-68.4	-41	176.9	-167.2	-111.3	0	0	0	110.3	D312 L543 L551	Y290-D312 PolarHBondContact N-OD2 3.43Å; Y290-D312 VanDerWaalsContact N-OD2 3.12Å; Y290-L543 HydrophobicContact CD2-CD1 3.72Å; Y290-L543 HydrophobicContact CE2-CD1 3.49Å; Y290-L543 VanDerWaalsContact CE2-CD1 3.49Å; Y290-L551 HydrophobicContact CD1-CD1 4.37Å; Y290-L551 HydrophobicContact CD1-CD2 4.43Å; Y290-L551 HydrophobicContact CD1-CG 4.46Å; Y290-L551 HydrophobicContact CD2-CD2 3.89Å; Y290-L551 HydrophobicContact CD2-CG 4.05Å; Y290-L551 HydrophobicContact CE1-CD1 3.96Å; Y290-L551 HydrophobicContact CE1-CG 4.17Å; Y290-L551 HydrophobicContact CE2-CD1 4.35Å; Y290-L551 HydrophobicContact CE2-CD2 4.05Å; Y290-L551 HydrophobicContact CE2-CG 3.67Å; Y290-L551 HydrophobicContact CG-CD2 4.11Å; Y290-L551 HydrophobicContact CG-CG 4.44Å
291	F	93.2	Very high	95.4	Very high	117 Å²	117	28.5 Å²	28.5	51%	0.513	14%	0.143	S	C	.	.	S	Bend	trans	-156	169.4	162.8	61.1	-86	0	0	0	110	S289 D312	S289-F291 VanDerWaalsContact C-N 3.34Å; S289-F291 PolarHBondContact OG-O 3.42Å; F291-D312 HydrophobicContact CD1-CB 3.72Å; F291-D312 HydrophobicContact CD2-CB 4.01Å; F291-D312 HydrophobicContact CE1-CB 3.46Å; F291-D312 VanDerWaalsContact CE1-CB 3.46Å; F291-D312 HydrophobicContact CE2-CB 3.79Å; F291-D312 HydrophobicContact CG-CB 3.97Å; F291-D312 VanDerWaalsContact CZ-CA 3.42Å; F291-D312 HydrophobicContact CZ-CB 3.51Å; F291-D312 WeakPolarHBondContact O-CB 3.24Å
292	G	94.4	Very high	95.2	Very high	30 Å²	30	28.1 Å²	28.1	31%	0.309	14%	0.141	S	C	.	.	S	Bend	trans	67.4	-179.3	178	0	0	0	0	0	114.7	G271 S289	G271-G292 WeakPolarHBondContact CA-O 3.47Å; S289-G292 PolarHBondContact OG-O 2.65Å
293	G	95.5	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.			trans	-75.5	154.8	178.4	0	0	0	0	0	113.5	E269 G310 E311	E269-G293 WeakPolarHBondContact O-CA 3.19Å; G293-G310 CarbonylContact O-C 3.59Å; G293-G310 VanDerWaalsContact O-CA 3.28Å; G293-G310 WeakPolarHBondContact O-CA 3.3Å; G293-E311 PolarHBondContact N-OE2 2.92Å; G293-E311 PolarHBondContact O-N 3.19Å
294	L	97.9	Very high	94.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.6	165.7	-68.8	179.4	0	0	0	109	N253 V267 S268 L273 M287 T308	N253-L294 PolarHBondContact ND2-O 2.81Å; V267-L294 HydrophobicContact CB-CB 3.7Å; V267-L294 HydrophobicContact CG1-CB 3.86Å; V267-L294 HydrophobicContact CG1-CD1 4.05Å; S268-L294 PolarHBondContact O-N 3.07Å; S268-L294 VanDerWaalsContact O-N 3.08Å; L273-L294 HydrophobicContact CB-CD1 3.74Å; M287-L294 HydrophobicContact CE-CD1 4.15Å; L294-T308 HydrophobicContact CD1-CG2 4.41Å
295	L	97.7	Very high	94.9	Very high	30 Å²	30	23.1 Å²	23.1	16%	0.157	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-35.2	-170	-61.4	-179.6	0	0	0	113.2	N253 G309 E311 W335	N253-L295 WeakPolarHBondContact CB-O 3.27Å; L295-G309 PolarHBondContact N-O 3.19Å; L295-E311 HydrophobicContact CD1-CG 4.11Å; L295-E311 HydrophobicContact CD2-CG 4.05Å; L295-E311 HydrophobicContact CG-CG 4.12Å; L295-W335 HydrophobicContact CD1-CB 3.75Å; L295-W335 HydrophobicContact CD1-CD2 4.4Å; L295-W335 HydrophobicContact CD1-CE3 4.12Å; L295-W335 HydrophobicContact CD1-CG 4.31Å
296	C	98.1	Very high	95.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	157.2	-174.1	56.1	0	0	0	0	112.2	E254 T308 G309 V336 K338 V339	E254-C296 WeakPolarHBondContact OE2-CA 3.28Å; E254-C296 WeakPolarHBondContact OE2-CB 3.5Å; C296-T308 VanDerWaalsContact O-CA 3.29Å; C296-T308 WeakPolarHBondContact O-CA 3.19Å; C296-G309 PolarHBondContact N-O 3.04Å; C296-G309 PolarHBondContact O-N 3.47Å; C296-G309 VanDerWaalsContact O-N 3.11Å; C296-V336 PolarHBondContact SG-O 3.26Å; C296-K338 VanDerWaalsContact SG-CA 3.59Å; C296-V339 HydrophobicContact CB-CG2 4.22Å
297	V	98.5	Very high	95.3	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	141.1	-177.5	62.3	0	0	0	0	111.4	E254 Q256 A265 V267 L273 I306 A307 T308	E254-V297 HydrophobicContact CB-CG1 4.34Å; E254-V297 HydrophobicContact CG-CG1 4Å; Q256-V297 HydrophobicContact CB-CG1 4.1Å; Q256-V297 PolarHBondContact OE1-O 3.25Å; A265-V297 HydrophobicContact CB-CG2 3.79Å; V267-V297 HydrophobicContact CG1-CB 3.86Å; V267-V297 HydrophobicContact CG1-CG1 4.44Å; V267-V297 HydrophobicContact CG1-CG2 4.35Å; V267-V297 HydrophobicContact CG2-CB 4.12Å; V267-V297 HydrophobicContact CG2-CG1 4.05Å; L273-V297 HydrophobicContact CD1-CG2 4.13Å; V297-I306 HydrophobicContact CG2-CG2 3.37Å; V297-A307 CarbonylContact C-O 3.56Å; V297-A307 WeakPolarHBondContact CA-O 3.38Å; V297-T308 HydrophobicContact CB-CG2 4.45Å; V297-T308 HydrophobicContact CG2-CG2 4.14Å
298	A	98.2	Very high	95.4	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.025	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135	176	0	0	0	0	0	111.5	I306 A307 V339 F341	A298-I306 CarbonylContact O-C 3.5Å; A298-I306 WeakPolarHBondContact O-CA 3.27Å; A298-A307 PolarHBondContact N-O 3.04Å; A298-A307 PolarHBondContact O-N 3.35Å; A298-V339 HydrophobicContact CB-CB 4.24Å; A298-V339 HydrophobicContact CB-CG2 3.71Å; A298-F341 HydrophobicContact CB-CD2 3.97Å; A298-F341 HydrophobicContact CB-CE2 4.38Å
299	W	97.5	Very high	95.6	Very high	11 Å²	11	19.5 Å²	19.5	4%	0.042	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	145.2	169.9	-73.1	90.5	0	0	0	112.3	Q256 F257 P259 A265 V275 A303 I306 V320 F341	Q256-W299 PolarHBondContact O-NE1 2.86Å; F257-W299 VanDerWaalsContact O-CD1 3.31Å; P259-W299 HydrophobicContact CG-CB 4.42Å; A265-W299 HydrophobicContact CB-CZ2 3.72Å; V275-W299 HydrophobicContact CG1-CH2 3.89Å; V275-W299 HydrophobicContact CG1-CZ2 4.16Å; W299-A303 HydrophobicContact CE3-CB 4.33Å; W299-A303 WeakPolarHBondContact CZ3-O 3.28Å; W299-I306 HydrophobicContact CD2-CD1 4.32Å; W299-I306 HydrophobicContact CD2-CG1 3.78Å; W299-I306 HydrophobicContact CE3-CD1 4.25Å; W299-I306 HydrophobicContact CE3-CG1 3.65Å; W299-I306 HydrophobicContact CH2-CD1 3.56Å; W299-I306 HydrophobicContact CH2-CG1 3.92Å; W299-I306 HydrophobicContact CZ2-CD1 3.63Å; W299-I306 HydrophobicContact CZ2-CG1 4.04Å; W299-I306 HydrophobicContact CZ3-CD1 3.92Å; W299-I306 HydrophobicContact CZ3-CG1 3.76Å; W299-V320 HydrophobicContact CE3-CG2 4.37Å; W299-V320 HydrophobicContact CH2-CG1 4.45Å; W299-V320 HydrophobicContact CH2-CG2 4Å; W299-V320 HydrophobicContact CZ3-CG1 4.35Å; W299-V320 HydrophobicContact CZ3-CG2 3.53Å; W299-F341 WeakPolarHBondContact O-CD2 3.33Å
300	S	94.7	Very high	95.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.			trans	-65.3	151.1	165.3	67.6	0	0	0	0	110.3	P259 D302 A303 K304 Y305	P259-S300 WeakPolarHBondContact CG-O 3.39Å; S300-D302 WeakPolarHBondContact CB-OD1 3.5Å; S300-D302 PolarHBondContact O-N 2.9Å; S300-D302 VanDerWaalsContact O-N 3.1Å; S300-D302 PolarHBondContact OG-OD1 3.18Å; S300-A303 PolarHBondContact O-N 3.01Å; S300-A303 PolarHBondContact OG-N 3.38Å; S300-K304 PolarHBondContact OG-N 3.11Å; S300-K304 VanDerWaalsContact OG-N 3.17Å; S300-Y305 PolarHBondContact N-O 2.8Å; S300-Y305 PolarHBondContact OG-N 2.84Å; S300-Y305 PolarHBondContact OG-O 2.97Å
301	P	91.8	Very high	95.9	Very high	20 Å²	20	18.1 Å²	18.1	13%	0.13	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28	-178.5	-24.9	34.3	0	0	0	114	F341 P343 L357	P301-F341 HydrophobicContact CG-CB 4.49Å; P301-P343 HydrophobicContact CB-CB 4.46Å; P301-P343 HydrophobicContact CG-CB 4.02Å; P301-L357 HydrophobicContact CB-CB 4.37Å
302	D	89.5	Confident	96	Very high	13 Å²	13	13 Å²	13	7%	0.07	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	9.6	178.4	70.4	-14.6	0	0	0	114.3	S300 K304 L363 Y408	S300-D302 WeakPolarHBondContact CB-OD1 3.5Å; S300-D302 PolarHBondContact O-N 2.9Å; S300-D302 VanDerWaalsContact O-N 3.1Å; S300-D302 PolarHBondContact OG-OD1 3.18Å; D302-K304 PolarHBondContact O-N 2.83Å; D302-K304 PolarHBondContact OD1-N 3.09Å; D302-K304 VanDerWaalsContact OD2-CD 3.23Å; D302-K304 WeakPolarHBondContact OD2-CD 3.34Å; D302-K304 VanDerWaalsContact OD2-CE 3.31Å; D302-K304 WeakPolarHBondContact OD2-CE 3.41Å; D302-K304 IonicContact OD2-NZ 3.34Å; D302-K304 PolarHBondContact OD2-NZ 3.06Å; D302-L363 HydrophobicContact CB-CD2 3.97Å; D302-Y408 WeakPolarHBondContact OD1-CE1 3.36Å; D302-Y408 PolarHBondContact OD2-OH 3.2Å
303	A	93.1	Very high	96.1	Very high	18 Å²	18	13.8 Å²	13.8	15%	0.149	7%	0.071	C	C	.	.	S	Bend	trans	59.3	12.9	178.8	0	0	0	0	0	116.3	W299 S300	W299-A303 HydrophobicContact CE3-CB 4.33Å; W299-A303 WeakPolarHBondContact CZ3-O 3.28Å; S300-A303 PolarHBondContact O-N 3.01Å; S300-A303 PolarHBondContact OG-N 3.38Å
304	K	91.9	Very high	96.2	Very high	68 Å²	68	14.4 Å²	14.4	30%	0.296	7%	0.074	S	C	.	.	S	Bend	trans	-80.6	-28.6	180	-66	-173.8	-165.7	132.1	0	113.5	S300 D302 V320	S300-K304 PolarHBondContact OG-N 3.11Å; S300-K304 VanDerWaalsContact OG-N 3.17Å; D302-K304 PolarHBondContact O-N 2.83Å; D302-K304 PolarHBondContact OD1-N 3.09Å; D302-K304 VanDerWaalsContact OD2-CD 3.23Å; D302-K304 WeakPolarHBondContact OD2-CD 3.34Å; D302-K304 VanDerWaalsContact OD2-CE 3.31Å; D302-K304 WeakPolarHBondContact OD2-CE 3.41Å; D302-K304 IonicContact OD2-NZ 3.34Å; D302-K304 PolarHBondContact OD2-NZ 3.06Å; K304-V320 WeakPolarHBondContact O-CB 3.42Å; K304-V320 WeakPolarHBondContact O-CG2 3.46Å; K304-V320 PolarHBondContact O-N 3.21Å
305	Y	94.7	Very high	96.2	Very high	22 Å²	22	14.3 Å²	14.3	9%	0.086	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.4	-172.2	-57.9	-78	0	0	0	111.9	S300 I317 Y318 Y408 L429	S300-Y305 PolarHBondContact N-O 2.8Å; S300-Y305 PolarHBondContact OG-N 2.84Å; S300-Y305 PolarHBondContact OG-O 2.97Å; Y305-I317 HydrophobicContact CD1-CG2 4.43Å; Y305-Y318 CarbonylContact C-O 3.54Å; Y305-Y318 VanDerWaalsContact CA-O 3.32Å; Y305-Y318 WeakPolarHBondContact CA-O 3.41Å; Y305-Y408 HydrophobicContact CD2-CE1 4.5Å; Y305-Y408 AromaticContact CD2-CE2 3.93Å; Y305-Y408 HydrophobicContact CD2-CE2 3.93Å; Y305-Y408 AromaticContact CD2-CZ 3.9Å; Y305-Y408 AromaticContact CE2-CE2 3.67Å; Y305-Y408 HydrophobicContact CE2-CE2 3.67Å; Y305-Y408 AromaticContact CE2-CZ 3.82Å; Y305-L429 HydrophobicContact CE1-CD1 4.19Å; Y305-L429 HydrophobicContact CE2-CD1 4.3Å
306	I	97.8	Very high	96.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.9	174	-60.2	168.3	0	0	0	108.4	A265 L273 V275 V297 A298 W299 T308 I317 Y318 V320	A265-I306 HydrophobicContact CB-CD1 4.01Å; L273-I306 HydrophobicContact CD1-CG2 4.3Å; L273-I306 HydrophobicContact CD2-CB 4.47Å; L273-I306 HydrophobicContact CD2-CD1 4.41Å; L273-I306 HydrophobicContact CD2-CG2 4.04Å; V275-I306 HydrophobicContact CG1-CD1 4.25Å; V275-I306 HydrophobicContact CG2-CD1 3.42Å; V275-I306 VanDerWaalsContact CG2-CD1 3.42Å; V297-I306 HydrophobicContact CG2-CG2 3.37Å; A298-I306 CarbonylContact O-C 3.5Å; A298-I306 WeakPolarHBondContact O-CA 3.27Å; W299-I306 HydrophobicContact CD2-CD1 4.32Å; W299-I306 HydrophobicContact CD2-CG1 3.78Å; W299-I306 HydrophobicContact CE3-CD1 4.25Å; W299-I306 HydrophobicContact CE3-CG1 3.65Å; W299-I306 HydrophobicContact CH2-CD1 3.56Å; W299-I306 HydrophobicContact CH2-CG1 3.92Å; W299-I306 HydrophobicContact CZ2-CD1 3.63Å; W299-I306 HydrophobicContact CZ2-CG1 4.04Å; W299-I306 HydrophobicContact CZ3-CD1 3.92Å; W299-I306 HydrophobicContact CZ3-CG1 3.76Å; I306-T308 HydrophobicContact CG2-CG2 4.12Å; I306-I317 CarbonylContact O-C 3.57Å; I306-I317 WeakPolarHBondContact O-CA 3.2Å; I306-Y318 HydrophobicContact CD1-CD1 4.2Å; I306-Y318 PolarHBondContact N-O 2.87Å; I306-Y318 PolarHBondContact O-N 3.31Å; I306-V320 HydrophobicContact CD1-CG2 3.8Å; I306-V320 HydrophobicContact CG1-CG2 3.79Å
307	A	97.9	Very high	96.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.4	167.7	0	0	0	0	0	109.9	V297 A298 S316 I317 F341 F410	V297-A307 CarbonylContact C-O 3.56Å; V297-A307 WeakPolarHBondContact CA-O 3.38Å; A298-A307 PolarHBondContact N-O 3.04Å; A298-A307 PolarHBondContact O-N 3.35Å; A307-S316 CarbonylContact C-O 3.42Å; A307-S316 WeakPolarHBondContact CA-O 3.3Å; A307-I317 HydrophobicContact CB-CD1 3.57Å; A307-F341 HydrophobicContact CB-CD2 4.47Å; A307-F341 HydrophobicContact CB-CE2 3.57Å; A307-F341 HydrophobicContact CB-CZ 4.02Å; A307-F410 HydrophobicContact CB-CD2 4.34Å; A307-F410 HydrophobicContact CB-CE2 4.49Å
308	T	98.5	Very high	96	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.9	174	62.3	0	0	0	0	111	V267 L273 M287 L294 C296 V297 I306 V315 S316	V267-T308 HydrophobicContact CG1-CG2 3.97Å; L273-T308 HydrophobicContact CB-CG2 4.35Å; L273-T308 HydrophobicContact CD1-CG2 4.03Å; L273-T308 HydrophobicContact CD2-CG2 3.85Å; L273-T308 HydrophobicContact CG-CG2 4.29Å; M287-T308 HydrophobicContact CE-CG2 3.92Å; M287-T308 VanDerWaalsContact CE-OG1 3.25Å; M287-T308 WeakPolarHBondContact CE-OG1 3.19Å; L294-T308 HydrophobicContact CD1-CG2 4.41Å; C296-T308 VanDerWaalsContact O-CA 3.29Å; C296-T308 WeakPolarHBondContact O-CA 3.19Å; V297-T308 HydrophobicContact CB-CG2 4.45Å; V297-T308 HydrophobicContact CG2-CG2 4.14Å; I306-T308 HydrophobicContact CG2-CG2 4.12Å; T308-V315 CarbonylContact O-C 3.57Å; T308-V315 VanDerWaalsContact O-CA 3.29Å; T308-V315 WeakPolarHBondContact O-CA 3.49Å; T308-S316 PolarHBondContact N-O 3Å; T308-S316 PolarHBondContact O-N 3.49Å; T308-S316 PolarHBondContact OG1-O 3.36Å
309	G	98.2	Very high	95.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.1	169.9	0	0	0	0	0	111.3	L295 C296	L295-G309 PolarHBondContact N-O 3.19Å; C296-G309 PolarHBondContact N-O 3.04Å; C296-G309 PolarHBondContact O-N 3.47Å; C296-G309 VanDerWaalsContact O-N 3.11Å
310	G	96.9	Very high	95.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	-175.7	-173.4	0	0	0	0	0	115.7	G293 L314 V336	G293-G310 CarbonylContact O-C 3.59Å; G293-G310 VanDerWaalsContact O-CA 3.28Å; G293-G310 WeakPolarHBondContact O-CA 3.3Å; G310-L314 PolarHBondContact N-O 2.99Å; G310-V336 PolarHBondContact O-N 3Å; G310-V336 VanDerWaalsContact O-N 3.07Å
311	E	97.6	Very high	95.5	Very high	46 Å²	46	21.3 Å²	21.3	22%	0.215	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6.2	171.4	-64.3	179.3	162.8	0	0	113.2	G293 L295 D313 W335	G293-E311 PolarHBondContact N-OE2 2.92Å; G293-E311 PolarHBondContact O-N 3.19Å; L295-E311 HydrophobicContact CD1-CG 4.11Å; L295-E311 HydrophobicContact CD2-CG 4.05Å; L295-E311 HydrophobicContact CG-CG 4.12Å; E311-D313 VanDerWaalsContact C-N 3.27Å; E311-W335 VanDerWaalsContact CA-CD1 3.47Å; E311-W335 HydrophobicContact CB-CD2 4.31Å; E311-W335 HydrophobicContact CB-CG 4.32Å; E311-W335 HydrophobicContact CB-CZ2 4.46Å; E311-W335 HydrophobicContact CG-CD2 3.92Å; E311-W335 HydrophobicContact CG-CE3 4.25Å; E311-W335 HydrophobicContact CG-CG 4.3Å; E311-W335 HydrophobicContact CG-CH2 4.44Å; E311-W335 HydrophobicContact CG-CZ2 4.12Å; E311-W335 VanDerWaalsContact O-CD1 3.29Å; E311-W335 PolarHBondContact O-NE1 2.62Å
312	D	95.9	Very high	95.5	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.043	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	7.6	174.4	56.7	2.8	0	0	0	113.9	Y290 F291 L314	Y290-D312 PolarHBondContact N-OD2 3.43Å; Y290-D312 VanDerWaalsContact N-OD2 3.12Å; F291-D312 HydrophobicContact CD1-CB 3.72Å; F291-D312 HydrophobicContact CD2-CB 4.01Å; F291-D312 HydrophobicContact CE1-CB 3.46Å; F291-D312 VanDerWaalsContact CE1-CB 3.46Å; F291-D312 HydrophobicContact CE2-CB 3.79Å; F291-D312 HydrophobicContact CG-CB 3.97Å; F291-D312 VanDerWaalsContact CZ-CA 3.42Å; F291-D312 HydrophobicContact CZ-CB 3.51Å; F291-D312 WeakPolarHBondContact O-CB 3.24Å; D312-L314 PolarHBondContact O-N 3.48Å; D312-L314 VanDerWaalsContact O-N 3.12Å; D312-L314 PolarHBondContact OD1-N 2.84Å
313	D	97.3	Very high	95.7	Very high	48 Å²	48	29.3 Å²	29.3	26%	0.257	14%	0.143	S	C	.	.	S	Bend	trans	62.4	9.4	-176.8	-52.9	-13.6	0	0	0	113.8	E311 S334 W335	E311-D313 VanDerWaalsContact C-N 3.27Å; D313-S334 VanDerWaalsContact CG-C 3.46Å; D313-S334 VanDerWaalsContact CG-CA 3.48Å; D313-S334 WeakPolarHBondContact OD1-CA 3.38Å; D313-S334 PolarHBondContact OD2-N 2.84Å; D313-W335 PolarHBondContact OD1-N 2.89Å; D313-W335 VanDerWaalsContact OD1-N 3.15Å
314	L	97.5	Very high	95.7	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	150.4	-178.2	-61.6	177.3	0	0	0	111.5	G310 D312 Q330 L551	G310-L314 PolarHBondContact N-O 2.99Å; D312-L314 PolarHBondContact O-N 3.48Å; D312-L314 VanDerWaalsContact O-N 3.12Å; D312-L314 PolarHBondContact OD1-N 2.84Å; L314-Q330 HydrophobicContact CD2-CB 4.01Å; L314-Q330 HydrophobicContact CD2-CG 4.27Å; L314-L551 HydrophobicContact CD1-CD2 4.13Å
315	V	97.8	Very high	95.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135	156.4	-62.9	0	0	0	0	108.6	T308 R328 G329 V336 V339 F410 W422	T308-V315 CarbonylContact O-C 3.57Å; T308-V315 VanDerWaalsContact O-CA 3.29Å; T308-V315 WeakPolarHBondContact O-CA 3.49Å; V315-R328 CarbonylContact O-C 3.55Å; V315-R328 WeakPolarHBondContact O-CA 3.44Å; V315-G329 PolarHBondContact N-O 2.95Å; V315-G329 VanDerWaalsContact N-O 3.08Å; V315-G329 PolarHBondContact O-N 3.27Å; V315-V336 HydrophobicContact CG1-CG1 4.23Å; V315-V336 HydrophobicContact CG1-CG2 4.36Å; V315-V339 HydrophobicContact CG1-CG1 4.23Å; V315-F410 HydrophobicContact CB-CE2 4.26Å; V315-F410 HydrophobicContact CG1-CE2 4.45Å; V315-F410 HydrophobicContact CG2-CE2 4.13Å; V315-F410 HydrophobicContact CG2-CZ 4.08Å; V315-W422 HydrophobicContact CG1-CZ2 4.07Å; V315-W422 HydrophobicContact CG2-CD2 4.07Å; V315-W422 HydrophobicContact CG2-CE3 4.19Å; V315-W422 HydrophobicContact CG2-CH2 3.76Å; V315-W422 HydrophobicContact CG2-CZ2 3.63Å; V315-W422 HydrophobicContact CG2-CZ3 4.04Å
316	S	97.1	Very high	95.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.5	176.3	-60.4	0	0	0	0	109.9	A307 T308 R328	A307-S316 CarbonylContact C-O 3.42Å; A307-S316 WeakPolarHBondContact CA-O 3.3Å; T308-S316 PolarHBondContact N-O 3Å; T308-S316 PolarHBondContact O-N 3.49Å; T308-S316 PolarHBondContact OG1-O 3.36Å; S316-R328 WeakPolarHBondContact OG-CG 3.37Å
317	I	96.7	Very high	95.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.5	176.4	-53.9	-57	0	0	0	109.4	Y305 I306 A307 T325 V326 C327 F410 L424	Y305-I317 HydrophobicContact CD1-CG2 4.43Å; I306-I317 CarbonylContact O-C 3.57Å; I306-I317 WeakPolarHBondContact O-CA 3.2Å; A307-I317 HydrophobicContact CB-CD1 3.57Å; I317-T325 CarbonylContact O-C 3.58Å; I317-T325 WeakPolarHBondContact O-CA 3.17Å; I317-V326 PolarHBondContact O-N 3.17Å; I317-C327 VanDerWaalsContact CB-SG 3.58Å; I317-C327 WeakPolarHBondContact CG1-SG 3.38Å; I317-C327 PolarHBondContact N-O 3.32Å; I317-F410 HydrophobicContact CD1-CD1 4.45Å; I317-F410 HydrophobicContact CD1-CE1 3.79Å; I317-F410 HydrophobicContact CD1-CE2 4.28Å; I317-F410 HydrophobicContact CD1-CZ 3.69Å; I317-F410 HydrophobicContact CG1-CE1 4.43Å; I317-F410 HydrophobicContact CG1-CZ 4.42Å; I317-L424 HydrophobicContact CD1-CD1 4.08Å; I317-L424 HydrophobicContact CG1-CD1 4Å; I317-L424 HydrophobicContact CG1-CD2 4.3Å; I317-L424 HydrophobicContact CG2-CD1 4.14Å
318	Y	95.9	Very high	95.4	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127	-179	-177.2	-99.3	0	0	0	110.4	L273 V275 G285 L286 M287 Y305 I306 V320 K323 R324	L273-Y318 HydrophobicContact CD2-CD1 4.22Å; L273-Y318 HydrophobicContact CD2-CG 4.01Å; V275-Y318 HydrophobicContact CG2-CD1 4.37Å; V275-Y318 HydrophobicContact CG2-CE1 4.03Å; G285-Y318 VanDerWaalsContact CA-OH 3.23Å; G285-Y318 WeakPolarHBondContact CA-OH 3.2Å; L286-Y318 PolarHBondContact N-OH 3.28Å; M287-Y318 HydrophobicContact CB-CD2 3.72Å; M287-Y318 HydrophobicContact CB-CE2 3.88Å; M287-Y318 HydrophobicContact CG-CD2 4.26Å; M287-Y318 HydrophobicContact SD-CD2 3.92Å; M287-Y318 HydrophobicContact SD-CG 4.38Å; Y305-Y318 CarbonylContact C-O 3.54Å; Y305-Y318 VanDerWaalsContact CA-O 3.32Å; Y305-Y318 WeakPolarHBondContact CA-O 3.41Å; I306-Y318 HydrophobicContact CD1-CD1 4.2Å; I306-Y318 PolarHBondContact N-O 2.87Å; I306-Y318 PolarHBondContact O-N 3.31Å; Y318-V320 HydrophobicContact CD1-CG2 4.43Å; Y318-K323 VanDerWaalsContact CE2-C 3.45Å; Y318-K323 VanDerWaalsContact CZ-C 3.47Å; Y318-K323 WeakPolarHBondContact OH-CA 3.25Å; Y318-K323 WeakPolarHBondContact OH-CB 3.46Å; Y318-K323 PolarHBondContact OH-O 2.82Å; Y318-R324 VanDerWaalsContact CD2-C 3.41Å; Y318-R324 WeakPolarHBondContact CD2-O 3.13Å
319	S	94.7	Very high	95.3	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.1	170.8	170.1	0	0	0	0	109	D322 K323 R324	S319-D322 WeakPolarHBondContact CB-OD2 3.3Å; S319-D322 WeakPolarHBondContact OG-CB 3.31Å; S319-D322 VanDerWaalsContact OG-CG 3.26Å; S319-D322 PolarHBondContact OG-N 3.16Å; S319-D322 VanDerWaalsContact OG-N 3.11Å; S319-D322 PolarHBondContact OG-OD2 2.97Å; S319-K323 VanDerWaalsContact O-CA 3.31Å; S319-K323 WeakPolarHBondContact O-CA 3.35Å; S319-K323 PolarHBondContact O-N 2.88Å; S319-R324 PolarHBondContact N-O 3.17Å; S319-R324 PolarHBondContact O-N 2.94Å
320	V	93.8	Very high	95.1	Very high	26 Å²	26	35 Å²	35	16%	0.158	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-37.6	-178.5	179.3	0	0	0	0	110.2	W299 K304 I306 Y318	W299-V320 HydrophobicContact CE3-CG2 4.37Å; W299-V320 HydrophobicContact CH2-CG1 4.45Å; W299-V320 HydrophobicContact CH2-CG2 4Å; W299-V320 HydrophobicContact CZ3-CG1 4.35Å; W299-V320 HydrophobicContact CZ3-CG2 3.53Å; K304-V320 WeakPolarHBondContact O-CB 3.42Å; K304-V320 WeakPolarHBondContact O-CG2 3.46Å; K304-V320 PolarHBondContact O-N 3.21Å; I306-V320 HydrophobicContact CD1-CG2 3.8Å; I306-V320 HydrophobicContact CG1-CG2 3.79Å; Y318-V320 HydrophobicContact CD1-CG2 4.43Å
321	Q	92	Very high	94.9	Very high	160 Å²	160	35.9 Å²	35.9	75%	0.748	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-46.1	178.1	-176	174.7	3.4	0	0	112.1	K323	Q321-K323 VanDerWaalsContact C-N 3.3Å
322	D	91.3	Very high	94.9	Very high	79 Å²	79	34.2 Å²	34.2	42%	0.422	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.5	-178.1	-55.8	-48.2	0	0	0	113.1	S319 R324	S319-D322 WeakPolarHBondContact CB-OD2 3.3Å; S319-D322 WeakPolarHBondContact OG-CB 3.31Å; S319-D322 VanDerWaalsContact OG-CG 3.26Å; S319-D322 PolarHBondContact OG-N 3.16Å; S319-D322 VanDerWaalsContact OG-N 3.11Å; S319-D322 PolarHBondContact OG-OD2 2.97Å; D322-R324 VanDerWaalsContact C-N 3.28Å; D322-R324 HydrophobicContact CB-CG 3.84Å; D322-R324 PolarHBondContact O-N 3.05Å
323	K	93.8	Very high	94.9	Very high	123 Å²	123	41.6 Å²	41.6	54%	0.535	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	38.4	-177.9	-57.3	-177.3	177.5	-160.4	0	114.1	Q284 Y318 S319 Q321	Q284-K323 VanDerWaalsContact O-CD 3.27Å; Q284-K323 WeakPolarHBondContact O-CD 3.3Å; Q284-K323 WeakPolarHBondContact O-CE 3.5Å; Q284-K323 PolarHBondContact O-NZ 3.13Å; Y318-K323 VanDerWaalsContact CE2-C 3.45Å; Y318-K323 VanDerWaalsContact CZ-C 3.47Å; Y318-K323 WeakPolarHBondContact OH-CA 3.25Å; Y318-K323 WeakPolarHBondContact OH-CB 3.46Å; Y318-K323 PolarHBondContact OH-O 2.82Å; S319-K323 VanDerWaalsContact O-CA 3.31Å; S319-K323 WeakPolarHBondContact O-CA 3.35Å; S319-K323 PolarHBondContact O-N 2.88Å; Q321-K323 VanDerWaalsContact C-N 3.3Å
324	R	92.9	Very high	94.9	Very high	81 Å²	81	41.1 Å²	41.1	31%	0.306	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.8	-176.4	72.4	-172.3	-177.5	175.1	6.7	112.4	Y318 S319 D322 V326 P431	Y318-R324 VanDerWaalsContact CD2-C 3.41Å; Y318-R324 WeakPolarHBondContact CD2-O 3.13Å; S319-R324 PolarHBondContact N-O 3.17Å; S319-R324 PolarHBondContact O-N 2.94Å; D322-R324 VanDerWaalsContact C-N 3.28Å; D322-R324 HydrophobicContact CB-CG 3.84Å; D322-R324 PolarHBondContact O-N 3.05Å; R324-V326 PolarHBondContact O-N 3Å; R324-P431 VanDerWaalsContact NH2-CB 3.31Å
325	T	94.3	Very high	94.9	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	125.5	165.7	-48.5	0	0	0	0	109.3	M287 I317 R328 I554	M287-T325 VanDerWaalsContact CG-OG1 3.29Å; M287-T325 WeakPolarHBondContact CG-OG1 3.31Å; M287-T325 HydrophobicContact SD-CG2 4.12Å; M287-T325 PolarHBondContact SD-OG1 2.76Å; I317-T325 CarbonylContact O-C 3.58Å; I317-T325 WeakPolarHBondContact O-CA 3.17Å; T325-R328 HydrophobicContact CG2-CG 4.42Å; T325-I554 HydrophobicContact CG2-CD1 3.77Å
326	V	92.8	Very high	94.9	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-45.1	-178.7	-175.8	0	0	0	0	111	I317 R324 L429 P555	I317-V326 PolarHBondContact O-N 3.17Å; R324-V326 PolarHBondContact O-N 3Å; V326-L429 HydrophobicContact CB-CD2 4.15Å; V326-L429 HydrophobicContact CG1-CB 3.87Å; V326-L429 HydrophobicContact CG1-CD2 3.46Å; V326-L429 VanDerWaalsContact CG1-CD2 3.46Å; V326-L429 HydrophobicContact CG1-CG 4.27Å; V326-L429 WeakPolarHBondContact CG1-O 3.4Å; V326-P555 WeakPolarHBondContact O-CD 3.45Å
327	C	93.6	Very high	94.9	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	164.9	178.2	68	0	0	0	0	111	I317 P555 I557	I317-C327 VanDerWaalsContact CB-SG 3.58Å; I317-C327 WeakPolarHBondContact CG1-SG 3.38Å; I317-C327 PolarHBondContact N-O 3.32Å; C327-P555 VanDerWaalsContact CA-O 3.3Å; C327-P555 WeakPolarHBondContact CA-O 3.38Å; C327-P555 HydrophobicContact CB-CB 4.01Å; C327-P555 VanDerWaalsContact CB-O 3.28Å; C327-P555 WeakPolarHBondContact CB-O 3.44Å; C327-I557 HydrophobicContact CB-CG2 4.22Å
328	R	95.4	Very high	95	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	153.8	169.1	-77.5	179	-171.6	121.1	-7.9	109.5	V315 S316 T325 P549 I554 P555 M556 I557	V315-R328 CarbonylContact O-C 3.55Å; V315-R328 WeakPolarHBondContact O-CA 3.44Å; S316-R328 WeakPolarHBondContact OG-CG 3.37Å; T325-R328 HydrophobicContact CG2-CG 4.42Å; R328-P549 PolarHBondContact NH1-O 2.86Å; R328-I554 HydrophobicContact CB-CD1 4.05Å; R328-I554 HydrophobicContact CG-CD1 3.52Å; R328-P555 PolarHBondContact N-O 2.8Å; R328-M556 HydrophobicContact CB-CE 4.15Å; R328-M556 HydrophobicContact CB-SD 4.11Å; R328-M556 CarbonylContact O-C 3.57Å; R328-M556 VanDerWaalsContact O-CA 3.22Å; R328-M556 WeakPolarHBondContact O-CA 3.5Å; R328-I557 WeakPolarHBondContact O-CG1 3.49Å; R328-I557 PolarHBondContact O-N 2.64Å
329	G	95.3	Very high	95.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.6	178.3	0	0	0	0	0	111.3	V315 I557	V315-G329 PolarHBondContact N-O 2.95Å; V315-G329 VanDerWaalsContact N-O 3.08Å; V315-G329 PolarHBondContact O-N 3.27Å; G329-I557 WeakPolarHBondContact CA-O 3.48Å
330	Q	95.1	Very high	95.3	Very high	130 Å²	130	49.3 Å²	49.3	61%	0.607	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.1	175.7	-172.2	175.6	23.3	0	0	109.2	L314 M556 I557 P559	L314-Q330 HydrophobicContact CD2-CB 4.01Å; L314-Q330 HydrophobicContact CD2-CG 4.27Å; Q330-M556 HydrophobicContact CB-CG 4.43Å; Q330-M556 HydrophobicContact CB-SD 3.81Å; Q330-I557 PolarHBondContact N-O 3.32Å; Q330-P559 WeakPolarHBondContact O-CD 3.18Å
331	G	93.3	Very high	95.4	Very high	19 Å²	19	48.8 Å²	48.8	20%	0.196	23%	0.229	C	C	.	.			trans	-168.9	-31.4	-176.7	0	0	0	0	0	114.2
332	H	97.3	Very high	95.6	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.051	19%	0.193	C	C	.	.			trans	-78.9	155.5	172.2	-74.3	-74.1	0	0	0	111.9	V336 S412 G414 D416 L418	H332-V336 HydrophobicContact CB-CG2 4.16Å; H332-S412 PolarHBondContact CD2-OG 3.19Å; H332-S412 WeakPolarHBondContact NE2-CB 3.47Å; H332-S412 PolarHBondContact NE2-OG 2.87Å; H332-G414 PolarHBondContact CE1-N 2.85Å; H332-D416 WeakPolarHBondContact CA-OD2 3.4Å; H332-D416 VanDerWaalsContact CB-OD2 3.3Å; H332-D416 WeakPolarHBondContact CB-OD2 3.35Å; H332-D416 IonicContact CE1-OD1 3.32Å; H332-D416 IonicContact CG-OD2 3.93Å; H332-D416 IonicContact ND1-OD1 3.32Å; H332-D416 PolarHBondContact ND1-OD1 3.14Å; H332-D416 VanDerWaalsContact ND1-OD1 3.16Å; H332-D416 IonicContact ND1-OD2 3.53Å; H332-D416 PolarHBondContact ND1-OD2 2.97Å; H332-L418 PolarHBondContact CE1-O 3.48Å
333	R	95.6	Very high	95.7	Very high	163 Å²	163	38.8 Å²	38.8	62%	0.615	18%	0.182	S	C	*	.	S	Bend	trans	-113.3	7.1	178.4	-56.9	178.6	-179.3	168.7	1	112.6	E22 D416 L418	E22-R333 IonicContact OE1-CZ 2.73Å; E22-R333 IonicContact OE1-NH1 3.57Å; E22-R333 PolarHBondContact OE1-NH1 3.1Å; E22-R333 IonicContact OE1-NH2 3.49Å; E22-R333 IonicContact OE2-NH1 2.76Å; R333-D416 HydrophobicContact CB-CB 4.12Å; R333-D416 PolarHBondContact N-OD2 2.91Å; R333-L418 HydrophobicContact CG-CD1 4.36Å
334	S	96.8	Very high	95.4	Very high	37 Å²	37	35.3 Å²	35.3	26%	0.259	17%	0.166	S	C	.	.	S	Bend	trans	-163	179.7	178.1	-162.8	0	0	0	0	108.3	D313 V336	D313-S334 VanDerWaalsContact CG-C 3.46Å; D313-S334 VanDerWaalsContact CG-CA 3.48Å; D313-S334 WeakPolarHBondContact OD1-CA 3.38Å; D313-S334 PolarHBondContact OD2-N 2.84Å; S334-V336 PolarHBondContact O-N 3.13Å
335	W	97.3	Very high	95.1	Very high	107 Å²	107	32.2 Å²	32.2	41%	0.405	16%	0.156	S	C	.	.			trans	-54.8	135.5	-172.6	-60.2	-7.8	0	0	0	112.6	L295 E311 D313 S337 G414 H415	L295-W335 HydrophobicContact CD1-CB 3.75Å; L295-W335 HydrophobicContact CD1-CD2 4.4Å; L295-W335 HydrophobicContact CD1-CE3 4.12Å; L295-W335 HydrophobicContact CD1-CG 4.31Å; E311-W335 VanDerWaalsContact CA-CD1 3.47Å; E311-W335 HydrophobicContact CB-CD2 4.31Å; E311-W335 HydrophobicContact CB-CG 4.32Å; E311-W335 HydrophobicContact CB-CZ2 4.46Å; E311-W335 HydrophobicContact CG-CD2 3.92Å; E311-W335 HydrophobicContact CG-CE3 4.25Å; E311-W335 HydrophobicContact CG-CG 4.3Å; E311-W335 HydrophobicContact CG-CH2 4.44Å; E311-W335 HydrophobicContact CG-CZ2 4.12Å; E311-W335 VanDerWaalsContact O-CD1 3.29Å; E311-W335 PolarHBondContact O-NE1 2.62Å; D313-W335 PolarHBondContact OD1-N 2.89Å; D313-W335 VanDerWaalsContact OD1-N 3.15Å; W335-S337 PolarHBondContact O-N 2.83Å; W335-G414 CarbonylContact O-C 3.58Å; W335-G414 VanDerWaalsContact O-CA 3.25Å; W335-G414 WeakPolarHBondContact O-CA 3.1Å; W335-H415 AromaticContact CE3-CE1 3.78Å; W335-H415 AromaticContact CE3-ND1 3.83Å; W335-H415 PolarHBondContact O-N 3.1Å
336	V	98.3	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	112.4	177.6	-174.2	0	0	0	0	108.6	C296 G310 V315 H332 S334 V339	C296-V336 PolarHBondContact SG-O 3.26Å; G310-V336 PolarHBondContact O-N 3Å; G310-V336 VanDerWaalsContact O-N 3.07Å; V315-V336 HydrophobicContact CG1-CG1 4.23Å; V315-V336 HydrophobicContact CG1-CG2 4.36Å; H332-V336 HydrophobicContact CB-CG2 4.16Å; S334-V336 PolarHBondContact O-N 3.13Å; V336-V339 HydrophobicContact CG1-CG1 3.96Å
337	S	96.9	Very high	93.3	Very high	22 Å²	22	32.6 Å²	32.6	15%	0.154	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-31.4	-172.7	58.9	0	0	0	0	113.2	W335 V413 L570	W335-S337 PolarHBondContact O-N 2.83Å; S337-V413 PolarHBondContact N-O 2.9Å; S337-V413 PolarHBondContact OG-O 3.23Å; S337-L570 VanDerWaalsContact CB-O 3.3Å; S337-L570 WeakPolarHBondContact CB-O 3.48Å; S337-L570 PolarHBondContact OG-O 2.81Å
338	K	98.2	Very high	91.8	Very high	40 Å²	40	33.2 Å²	33.2	17%	0.174	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	143.6	178.4	-154	75.4	-176.1	173.8	0	111.8	E254 C296 S412 V413 I573	E254-K338 IonicContact OE1-NZ 2.59Å; E254-K338 PolarHBondContact OE1-NZ 3.38Å; E254-K338 IonicContact OE2-NZ 3.79Å; E254-K338 PolarHBondContact OE2-NZ 3.25Å; C296-K338 VanDerWaalsContact SG-CA 3.59Å; K338-S412 CarbonylContact O-C 3.53Å; K338-S412 VanDerWaalsContact O-CA 3.27Å; K338-S412 WeakPolarHBondContact O-CA 3.13Å; K338-V413 HydrophobicContact CB-CG2 3.62Å; K338-V413 PolarHBondContact N-O 2.88Å; K338-V413 PolarHBondContact O-N 3Å; K338-I573 HydrophobicContact CB-CG2 3.98Å; K338-I573 HydrophobicContact CG-CG2 3.94Å
339	V	98.5	Very high	89.9	Confident	4 Å²	4	38 Å²	38	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.9	170.5	-68.5	0	0	0	0	109.2	C296 A298 V315 V336 G411	C296-V339 HydrophobicContact CB-CG2 4.22Å; A298-V339 HydrophobicContact CB-CB 4.24Å; A298-V339 HydrophobicContact CB-CG2 3.71Å; V315-V339 HydrophobicContact CG1-CG1 4.23Å; V336-V339 HydrophobicContact CG1-CG1 3.96Å; V339-G411 WeakPolarHBondContact CA-O 3.06Å
340	A	98.3	Very high	87.6	Confident	18 Å²	18	39.7 Å²	39.7	15%	0.149	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	141.9	172.8	0	0	0	0	0	110.6	F410 G411 I573 F575	A340-F410 CarbonylContact O-C 3.55Å; A340-F410 VanDerWaalsContact O-CA 3.27Å; A340-F410 WeakPolarHBondContact O-CA 3.34Å; A340-F410 VanDerWaalsContact O-CB 3.29Å; A340-F410 WeakPolarHBondContact O-CB 3.39Å; A340-G411 PolarHBondContact N-O 2.79Å; A340-G411 PolarHBondContact O-N 3.35Å; A340-I573 HydrophobicContact CB-CG2 3.99Å; A340-F575 HydrophobicContact CB-CD2 3.86Å; A340-F575 HydrophobicContact CB-CE2 3.86Å; A340-F575 VanDerWaalsContact O-CE2 3.25Å; A340-F575 WeakPolarHBondContact O-CE2 3.38Å
341	F	97	Very high	85.3	Confident	15 Å²	15	38.4 Å²	38.4	7%	0.066	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	147.8	168.2	-80.3	-96.6	0	0	0	110.7	A298 W299 P301 A307 P343 F410 F575	A298-F341 HydrophobicContact CB-CD2 3.97Å; A298-F341 HydrophobicContact CB-CE2 4.38Å; W299-F341 WeakPolarHBondContact O-CD2 3.33Å; P301-F341 HydrophobicContact CG-CB 4.49Å; A307-F341 HydrophobicContact CB-CD2 4.47Å; A307-F341 HydrophobicContact CB-CE2 3.57Å; A307-F341 HydrophobicContact CB-CZ 4.02Å; F341-P343 WeakPolarHBondContact O-CD 3.1Å; F341-F410 HydrophobicContact CB-CB 4.46Å; F341-F410 HydrophobicContact CD1-CB 3.79Å; F341-F410 HydrophobicContact CD2-CB 4.3Å; F341-F410 HydrophobicContact CE1-CB 4.04Å; F341-F410 HydrophobicContact CE1-CD1 4.34Å; F341-F410 HydrophobicContact CE1-CG 4.48Å; F341-F410 HydrophobicContact CG-CB 3.93Å; F341-F410 HydrophobicContact CZ-CB 4.42Å; F341-F575 VanDerWaalsContact O-CD2 3.25Å; F341-F575 WeakPolarHBondContact O-CD2 3.5Å
342	D	96.2	Very high	83	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	103.1	174	-175.8	5.1	0	0	0	109.7	Y344 T345 S346 R409 F575 R594	D342-Y344 PolarHBondContact O-N 2.87Å; D342-Y344 WeakPolarHBondContact OD1-CD2 3.27Å; D342-Y344 PolarHBondContact OD1-N 2.89Å; D342-Y344 VanDerWaalsContact OD1-N 3.16Å; D342-T345 VanDerWaalsContact CG-OG1 3.23Å; D342-T345 WeakPolarHBondContact OD2-CB 3.25Å; D342-T345 WeakPolarHBondContact OD2-CG2 3.45Å; D342-T345 PolarHBondContact OD2-OG1 3.5Å; D342-S346 WeakPolarHBondContact O-CB 3.27Å; D342-S346 PolarHBondContact O-N 3.43Å; D342-S346 PolarHBondContact O-OG 2.84Å; D342-R409 HydrophobicContact CB-CB 4.07Å; D342-R409 HydrophobicContact CB-CG 4Å; D342-R409 PolarHBondContact N-O 2.68Å; D342-F575 HydrophobicContact CB-CB 4.31Å; D342-F575 HydrophobicContact CB-CD1 3.54Å; D342-F575 HydrophobicContact CB-CD2 3.99Å; D342-F575 HydrophobicContact CB-CE1 3.75Å; D342-F575 HydrophobicContact CB-CE2 4.19Å; D342-F575 HydrophobicContact CB-CG 3.67Å; D342-F575 HydrophobicContact CB-CZ 4.07Å; D342-F575 VanDerWaalsContact CG-CD1 3.4Å; D342-R594 VanDerWaalsContact CG-NH2 3.33Å; D342-R594 IonicContact OD1-CZ 3.8Å; D342-R594 IonicContact OD1-NH1 3.94Å; D342-R594 IonicContact OD1-NH2 2.55Å; D342-R594 PolarHBondContact OD1-NH2 3.29Å; D342-R594 IonicContact OD2-CZ 2.65Å; D342-R594 IonicContact OD2-NH1 2.87Å; D342-R594 PolarHBondContact OD2-NH1 2.84Å; D342-R594 IonicContact OD2-NH2 2.67Å; D342-R594 PolarHBondContact OD2-NH2 2.86Å
343	P	91.8	Very high	80.7	Confident	29 Å²	29	44.2 Å²	44.2	19%	0.188	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-27	-179.2	28.1	-33	0	0	0	112.2	P301 F341 T345	P301-P343 HydrophobicContact CB-CB 4.46Å; P301-P343 HydrophobicContact CG-CB 4.02Å; F341-P343 WeakPolarHBondContact O-CD 3.1Å; P343-T345 PolarHBondContact O-N 3.47Å
344	Y	89.3	Confident	78.8	Confident	50 Å²	50	41.1 Å²	41.1	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-23.8	-172.6	-55.3	-77	0	0	0	113.3	D342 H356 D358 R576 E577 R594	D342-Y344 PolarHBondContact O-N 2.87Å; D342-Y344 WeakPolarHBondContact OD1-CD2 3.27Å; D342-Y344 PolarHBondContact OD1-N 2.89Å; D342-Y344 VanDerWaalsContact OD1-N 3.16Å; Y344-H356 PolarHBondContact O-CE1 3.43Å; Y344-H356 PolarHBondContact O-ND1 3.45Å; Y344-D358 VanDerWaalsContact CE1-OD1 3.23Å; Y344-D358 WeakPolarHBondContact CE1-OD1 3.12Å; Y344-D358 WeakPolarHBondContact CE1-OD2 3.36Å; Y344-R576 VanDerWaalsContact CD2-O 3.24Å; Y344-R576 WeakPolarHBondContact CD2-O 3.37Å; Y344-R576 WeakPolarHBondContact CE2-O 3.4Å; Y344-E577 HydrophobicContact CD1-CB 4.07Å; Y344-E577 HydrophobicContact CD1-CG 4.14Å; Y344-E577 VanDerWaalsContact CE1-CA 3.46Å; Y344-E577 HydrophobicContact CE1-CB 3.57Å; Y344-E577 HydrophobicContact CE1-CG 3.95Å; Y344-E577 VanDerWaalsContact CE2-N 3.33Å; Y344-E577 PolarHBondContact OH-N 2.81Å; Y344-R594 VanDerWaalsContact CD2-NH2 3.35Å
345	T	85.9	Confident	76.8	Confident	15 Å²	15	43.1 Å²	43.1	9%	0.092	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	6	178.5	67.7	0	0	0	0	114	E32 D342 P343 R409	E32-T345 HydrophobicContact CG-CG2 4.41Å; D342-T345 VanDerWaalsContact CG-OG1 3.23Å; D342-T345 WeakPolarHBondContact OD2-CB 3.25Å; D342-T345 WeakPolarHBondContact OD2-CG2 3.45Å; D342-T345 PolarHBondContact OD2-OG1 3.5Å; P343-T345 PolarHBondContact O-N 3.47Å; T345-R409 VanDerWaalsContact OG1-CB 3.31Å; T345-R409 WeakPolarHBondContact OG1-CB 3.4Å; T345-R409 WeakPolarHBondContact OG1-CD 3.26Å; T345-R409 PolarHBondContact OG1-NH1 3.33Å
346	S	79.8	Confident	74.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.9	167.9	-61.7	0	0	0	0	108.7	D342 T407 R409	D342-S346 WeakPolarHBondContact O-CB 3.27Å; D342-S346 PolarHBondContact O-N 3.43Å; D342-S346 PolarHBondContact O-OG 2.84Å; S346-T407 CarbonylContact C-O 3.46Å; S346-T407 VanDerWaalsContact CA-O 3.24Å; S346-T407 WeakPolarHBondContact CA-O 3.33Å; S346-R409 PolarHBondContact OG-N 3.32Å; S346-R409 VanDerWaalsContact OG-N 3.16Å
347	L	69.8	Low	73	Confident	22 Å²	22	43.3 Å²	43.3	12%	0.115	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.3	-171.1	-56.1	174.3	0	0	0	110.8	Y349 I354 V406 T407	L347-Y349 HydrophobicContact CB-CE2 4.19Å; L347-Y349 HydrophobicContact CD1-CE2 4.46Å; L347-Y349 WeakPolarHBondContact CD1-OH 3.49Å; L347-I354 HydrophobicContact CB-CG2 4.44Å; L347-I354 HydrophobicContact CD1-CG2 4.29Å; L347-I354 HydrophobicContact CD2-CG2 3.77Å; L347-I354 HydrophobicContact CG-CG2 4.39Å; L347-V406 WeakPolarHBondContact O-CA 3.48Å; L347-T407 HydrophobicContact CB-CG2 3.83Å; L347-T407 HydrophobicContact CG-CG2 4.34Å; L347-T407 PolarHBondContact N-O 2.98Å; L347-T407 PolarHBondContact O-N 2.82Å
348	V	62.1	Low	70.9	Confident	16 Å²	16	46.3 Å²	46.3	10%	0.097	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.3	164.4	-178.1	0	0	0	0	107.4	M355 L357 C404 V406	V348-M355 HydrophobicContact CB-CB 4.42Å; V348-M355 PolarHBondContact N-O 3.39Å; V348-M355 PolarHBondContact O-N 2.84Å; V348-L357 HydrophobicContact CG2-CD1 4.09Å; V348-L357 HydrophobicContact CG2-CD2 3.92Å; V348-L357 HydrophobicContact CG2-CG 3.93Å; V348-C404 HydrophobicContact CG1-CB 4.37Å; V348-V406 HydrophobicContact CB-CG2 4.49Å; V348-V406 HydrophobicContact CG1-CG2 4.21Å; V348-V406 HydrophobicContact CG2-CG1 4.11Å; V348-V406 HydrophobicContact CG2-CG2 4.03Å
349	Y	55.2	Low	68.6	Low	99 Å²	99	46.3 Å²	46.3	39%	0.388	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.5	168.5	-65.6	-81.5	0	0	0	107.7	L347 I354 C404 S405 T407	L347-Y349 HydrophobicContact CB-CE2 4.19Å; L347-Y349 HydrophobicContact CD1-CE2 4.46Å; L347-Y349 WeakPolarHBondContact CD1-OH 3.49Å; Y349-I354 HydrophobicContact CD1-CG1 4.05Å; Y349-I354 HydrophobicContact CE1-CD1 4.14Å; Y349-I354 HydrophobicContact CE1-CG1 3.93Å; Y349-C404 CarbonylContact O-C 3.56Å; Y349-C404 WeakPolarHBondContact O-CA 3.37Å; Y349-C404 WeakPolarHBondContact O-CB 3.32Å; Y349-S405 WeakPolarHBondContact CB-O 3.29Å; Y349-S405 WeakPolarHBondContact CD2-O 3.47Å; Y349-S405 PolarHBondContact N-O 2.91Å; Y349-S405 PolarHBondContact O-N 3.45Å; Y349-T407 HydrophobicContact CE2-CG2 4.02Å
350	C	47.8	Very low	66.3	Low	37 Å²	37	52.6 Å²	52.6	25%	0.25	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	116.9	169.2	-76.3	0	0	0	0	109.3	G352 S353 C404	C350-G352 VanDerWaalsContact C-N 3.34Å; C350-G352 PolarHBondContact O-N 3.46Å; C350-S353 PolarHBondContact N-O 3.22Å; C350-S353 PolarHBondContact O-N 3.48Å; C350-S353 PolarHBondContact O-OG 2.75Å; C350-C404 WeakPolarHBondContact CA-SG 3.46Å; C350-C404 HydrophobicContact CB-CB 4.23Å; C350-C404 WeakPolarHBondContact CB-SG 3.44Å; C350-C404 WeakPolarHBondContact SG-CB 3.16Å; C350-C404 CovalentContact SG-SG 2.04Å; C350-C404 PolarHBondContact SG-SG 2.71Å
351	S	45.5	Very low	63.8	Low	103 Å²	103	58 Å²	58	72%	0.72	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	25.6	61.6	172.3	-173.8	0	0	0	0	115.7	L403	S351-L403 PolarHBondContact N-O 3.37Å
352	G	45.1	Very low	61.3	Low	93 Å²	93	60 Å²	60	96%	0.959	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	-0.2	174.7	0	0	0	0	0	116.7	C350	C350-G352 VanDerWaalsContact C-N 3.34Å; C350-G352 PolarHBondContact O-N 3.46Å
353	S	49.7	Very low	58.8	Low	59 Å²	59	61.5 Å²	61.5	41%	0.413	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.8	176.1	58	0	0	0	0	111.6	C350	C350-S353 PolarHBondContact N-O 3.22Å; C350-S353 PolarHBondContact O-N 3.48Å; C350-S353 PolarHBondContact O-OG 2.75Å
354	I	54.7	Low	56.4	Low	98 Å²	98	67.6 Å²	67.6	50%	0.503	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.8	176	-62.6	174.2	0	0	0	106.8	L347 Y349	L347-I354 HydrophobicContact CB-CG2 4.44Å; L347-I354 HydrophobicContact CD1-CG2 4.29Å; L347-I354 HydrophobicContact CD2-CG2 3.77Å; L347-I354 HydrophobicContact CG-CG2 4.39Å; Y349-I354 HydrophobicContact CD1-CG1 4.05Å; Y349-I354 HydrophobicContact CE1-CD1 4.14Å; Y349-I354 HydrophobicContact CE1-CG1 3.93Å
355	M	55.9	Low	53.6	Low	78 Å²	78	70.3 Å²	70.3	38%	0.384	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.8	172.4	-57.2	-64.7	-70.8	0	0	109.1	V348 D362	V348-M355 HydrophobicContact CB-CB 4.42Å; V348-M355 PolarHBondContact N-O 3.39Å; V348-M355 PolarHBondContact O-N 2.84Å; M355-D362 HydrophobicContact CE-CB 4.49Å; M355-D362 VanDerWaalsContact CE-OD1 3.31Å; M355-D362 WeakPolarHBondContact CE-OD1 3.37Å
356	H	55.9	Low	51.3	Low	100 Å²	100	71.6 Å²	71.6	46%	0.463	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	140.5	170.9	-75.1	-97.2	0	0	0	109.5	Y344 D358	Y344-H356 PolarHBondContact O-CE1 3.43Å; Y344-H356 PolarHBondContact O-ND1 3.45Å; H356-D358 PolarHBondContact O-N 3.22Å; H356-D358 VanDerWaalsContact O-N 3.12Å
357	L	58.8	Low	49.4	Very low	11 Å²	11	75.4 Å²	75.4	6%	0.058	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	21.7	-178.6	-78.8	161.8	0	0	0	114.1	P301 V348 L363 V406	P301-L357 HydrophobicContact CB-CB 4.37Å; V348-L357 HydrophobicContact CG2-CD1 4.09Å; V348-L357 HydrophobicContact CG2-CD2 3.92Å; V348-L357 HydrophobicContact CG2-CG 3.93Å; L357-L363 HydrophobicContact CD2-CD2 4.06Å; L357-V406 HydrophobicContact CD1-CG1 4.36Å
358	D	54.3	Low	47.5	Very low	85 Å²	85	78.4 Å²	78.4	46%	0.455	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.2	-171.3	-163.9	30.2	0	0	0	113.9	Y344 H356	Y344-D358 VanDerWaalsContact CE1-OD1 3.23Å; Y344-D358 WeakPolarHBondContact CE1-OD1 3.12Å; Y344-D358 WeakPolarHBondContact CE1-OD2 3.36Å; H356-D358 PolarHBondContact O-N 3.22Å; H356-D358 VanDerWaalsContact O-N 3.12Å
359	S	48.9	Very low	46.2	Very low	40 Å²	40	84.6 Å²	84.6	28%	0.28	48%	0.48	S	S	.	.			trans	-112.7	132.3	-174.9	93.5	0	0	0	0	113.6	E361 D362 L363	S359-E361 PolarHBondContact O-N 3.07Å; S359-E361 VanDerWaalsContact O-N 3.14Å; S359-D362 PolarHBondContact O-N 3.28Å; S359-D362 VanDerWaalsContact O-N 3.16Å; S359-D362 VanDerWaalsContact OG-CB 3.26Å; S359-D362 WeakPolarHBondContact OG-CB 3.48Å; S359-D362 PolarHBondContact OG-N 2.81Å; S359-D362 PolarHBondContact OG-OD2 3.39Å; S359-L363 PolarHBondContact O-N 3.09Å
360	D	51.1	Low	45.1	Very low	136 Å²	136	84.7 Å²	84.7	73%	0.727	50%	0.495	S	S	*	.	H	α-helix	trans	-56.6	-24.4	173.2	-85.2	-33.4	0	0	0	112.9
361	E	44.8	Very low	44.3	Very low	131 Å²	131	88.1 Å²	88.1	61%	0.612	52%	0.515	S	S	*	.	H	α-helix	trans	-81.1	-37.1	178.9	-71.2	-74.4	124.5	0	0	111.7	S359 R364	S359-E361 PolarHBondContact O-N 3.07Å; S359-E361 VanDerWaalsContact O-N 3.14Å; E361-R364 WeakPolarHBondContact O-CB 3.32Å; E361-R364 PolarHBondContact O-N 2.69Å; E361-R364 IonicContact OE1-NH1 3.3Å
362	D	44.5	Very low	43.7	Very low	59 Å²	59	91.2 Å²	91.2	32%	0.316	52%	0.522	S	S	.	.	H	α-helix	trans	-74.7	-29.4	178.4	-67.6	-43.1	0	0	0	112.4	M355 S359 R364 C365 A366	M355-D362 HydrophobicContact CE-CB 4.49Å; M355-D362 VanDerWaalsContact CE-OD1 3.31Å; M355-D362 WeakPolarHBondContact CE-OD1 3.37Å; S359-D362 PolarHBondContact O-N 3.28Å; S359-D362 VanDerWaalsContact O-N 3.16Å; S359-D362 VanDerWaalsContact OG-CB 3.26Å; S359-D362 WeakPolarHBondContact OG-CB 3.48Å; S359-D362 PolarHBondContact OG-N 2.81Å; S359-D362 PolarHBondContact OG-OD2 3.39Å; D362-R364 PolarHBondContact O-N 2.92Å; D362-C365 PolarHBondContact O-N 3.38Å; D362-C365 VanDerWaalsContact O-N 3.17Å; D362-A366 PolarHBondContact O-N 3.35Å
363	L	45.1	Very low	43.1	Very low	30 Å²	30	89.7 Å²	89.7	16%	0.157	51%	0.506	C	S	.	.	H	α-helix	trans	-58	-32.3	171.5	-80.7	157.9	0	0	0	111.9	D302 L357 S359 A366 T367	D302-L363 HydrophobicContact CB-CD2 3.97Å; L357-L363 HydrophobicContact CD2-CD2 4.06Å; S359-L363 PolarHBondContact O-N 3.09Å; L363-A366 PolarHBondContact O-N 3.08Å; L363-T367 VanDerWaalsContact O-CB 3.31Å; L363-T367 WeakPolarHBondContact O-CB 3.27Å; L363-T367 VanDerWaalsContact O-CG2 3.29Å; L363-T367 WeakPolarHBondContact O-CG2 3.47Å; L363-T367 PolarHBondContact O-N 2.83Å; L363-T367 PolarHBondContact O-OG1 3.18Å
364	R	39.5	Very low	42.2	Very low	157 Å²	157	96.7 Å²	96.7	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-71.7	-32.1	178.1	-68.1	-179.4	175.7	-173.6	1	113.4	E361 D362 T367 N368	E361-R364 WeakPolarHBondContact O-CB 3.32Å; E361-R364 PolarHBondContact O-N 2.69Å; E361-R364 IonicContact OE1-NH1 3.3Å; D362-R364 PolarHBondContact O-N 2.92Å; R364-T367 WeakPolarHBondContact CA-OG1 3.33Å; R364-T367 PolarHBondContact O-OG1 2.85Å; R364-N368 WeakPolarHBondContact O-CB 3.5Å; R364-N368 PolarHBondContact O-N 2.84Å; R364-N368 PolarHBondContact O-ND2 3.42Å
365	C	31.9	Very low	41	Very low	107 Å²	107	98.6 Å²	98.6	72%	0.723	55%	0.55	S	S	*	.	H	α-helix	trans	-73.5	-35.4	175.2	-86.6	0	0	0	0	111.8	D362	D362-C365 PolarHBondContact O-N 3.38Å; D362-C365 VanDerWaalsContact O-N 3.17Å
366	A	36.7	Very low	39.6	Very low	43 Å²	43	99 Å²	99	36%	0.355	57%	0.573	S	S	.	*	H	α-helix	trans	-77.7	-24.7	175.7	0	0	0	0	0	113.6	D362 L363	D362-A366 PolarHBondContact O-N 3.35Å; L363-A366 PolarHBondContact O-N 3.08Å
367	T	39.6	Very low	38.4	Very low	80 Å²	80	97.8 Å²	97.8	49%	0.491	59%	0.588	S	S	.	*	H	α-helix	trans	-92	-21.8	-178.5	47.4	0	0	0	0	114.3	L363 R364	L363-T367 VanDerWaalsContact O-CB 3.31Å; L363-T367 WeakPolarHBondContact O-CB 3.27Å; L363-T367 VanDerWaalsContact O-CG2 3.29Å; L363-T367 WeakPolarHBondContact O-CG2 3.47Å; L363-T367 PolarHBondContact O-N 2.83Å; L363-T367 PolarHBondContact O-OG1 3.18Å; R364-T367 WeakPolarHBondContact CA-OG1 3.33Å; R364-T367 PolarHBondContact O-OG1 2.85Å
368	N	30.2	Very low	36.9	Very low	84 Å²	84	102.6 Å²	102.6	45%	0.449	62%	0.623	S	S	.	*			trans	-102	93.3	177.7	-70.8	-37.9	0	0	0	111.9	R364 S370	R364-N368 WeakPolarHBondContact O-CB 3.5Å; R364-N368 PolarHBondContact O-N 2.84Å; R364-N368 PolarHBondContact O-ND2 3.42Å; N368-S370 PolarHBondContact O-N 2.93Å
369	N	35.7	Very low	35.8	Very low	147 Å²	147	106.7 Å²	106.7	79%	0.786	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	28.5	167.5	-82.6	-17.2	0	0	0	114.3
370	S	31.9	Very low	34.9	Very low	101 Å²	101	113.3 Å²	113.3	71%	0.706	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144	13.3	-174.9	74.3	0	0	0	0	116.9	N368	N368-S370 PolarHBondContact O-N 2.93Å
371	T	31	Very low	34	Very low	108 Å²	108	113 Å²	113	66%	0.663	67%	0.668	S	S	*	*			trans	-141.3	45.5	-177.3	9.6	0	0	0	0	114.7	G373	T371-G373 PolarHBondContact O-N 3.27Å
372	I	33.1	Very low	33.6	Very low	169 Å²	169	111 Å²	111	87%	0.867	67%	0.669	S	S	*	*			trans	-93.6	88.9	161.3	-60.4	176.3	0	0	0	107.3
373	G	32.1	Very low	32.9	Very low	61 Å²	61	113.8 Å²	113.8	63%	0.629	69%	0.688	S	S	*	*	S	Bend	trans	170.5	53.7	-179.6	0	0	0	0	0	113.2	T371	T371-G373 PolarHBondContact O-N 3.27Å
374	K	30.3	Very low	32.4	Very low	205 Å²	205	120.2 Å²	120.2	89%	0.891	72%	0.723	S	S	*	*			trans	163.3	87.8	159.1	-92.4	155.2	-175.1	-177.2	0	109.7
375	C	29.4	Very low	32.1	Very low	139 Å²	139	116.3 Å²	116.3	94%	0.939	73%	0.731	S	S	*	*			trans	-162.2	69.6	151.6	-93.6	0	0	0	0	107.3
376	G	26.2	Very low	32.1	Very low	85 Å²	85	115.9 Å²	115.9	88%	0.876	73%	0.729	S	S	*	*			trans	-85	113.7	167.1	0	0	0	0	0	109
377	G	30.5	Very low	31.8	Very low	76 Å²	76	124.5 Å²	124.5	78%	0.784	75%	0.753	S	S	*	*			trans	-118.2	90.8	170.6	0	0	0	0	0	110.1
378	S	27.5	Very low	31.4	Very low	111 Å²	111	128.8 Å²	128.8	78%	0.776	77%	0.769	S	S	*	*			trans	29.2	112.7	145.2	162.3	0	0	0	0	118
379	L	31.7	Very low	31.5	Very low	171 Å²	171	131.2 Å²	131.2	90%	0.895	79%	0.787	S	S	*	*				-165.1	131.5	126.9	-95	155.2	0	0	0	110.4
380	H	30.9	Very low	31.2	Very low	179 Å²	179	131.6 Å²	131.6	83%	0.829	79%	0.788	S	S	*	*			trans	-27.4	143.2	168.7	-101.6	-130.6	0	0	0	114.6
381	D	31.6	Very low	31.1	Very low	131 Å²	131	138 Å²	138	70%	0.701	80%	0.797	S	S	*	*				-173.4	140.4	62.8	-158.2	8.9	0	0	0	112.5
382	S	35.4	Very low	31.1	Very low	88 Å²	88	140.1 Å²	140.1	62%	0.615	80%	0.803	S	S	*	*			trans	50	103.9	144.3	-62.8	0	0	0	0	124.6
383	T	31.7	Very low	30.9	Very low	118 Å²	118	141.2 Å²	141.2	72%	0.724	81%	0.805	S	S	*	*				48.6	109.8	123.2	59.9	0	0	0	0	121.5
384	N	34.1	Very low	30.8	Very low	165 Å²	165	149.6 Å²	149.6	88%	0.882	82%	0.818	S	S	*	*				167.8	138.6	110.9	-96.2	-26	0	0	0	113.6
385	G	32.4	Very low	30.8	Very low	74 Å²	74	146.6 Å²	146.6	76%	0.763	81%	0.811	S	S	*	*			trans	91.1	89.8	153.2	0	0	0	0	0	116
386	S	32.5	Very low	30.9	Very low	99 Å²	99	143.2 Å²	143.2	69%	0.692	79%	0.789	S	S	*	*				86.7	100.6	86.7	178.2	0	0	0	0	115.4
387	R	30	Very low	31.3	Very low	224 Å²	224	146.3 Å²	146.3	85%	0.845	78%	0.784	S	S	*	*			trans	78.5	138.5	133.8	-65	177.2	173.7	169.1	-0.7	120.4
388	M	30.5	Very low	31.5	Very low	170 Å²	170	147.6 Å²	147.6	84%	0.837	78%	0.781	S	S	*	*			trans	80.4	128.6	160.9	-38.8	-169.8	73.1	0	0	112.9
389	V	32.4	Very low	31.7	Very low	135 Å²	135	145.3 Å²	145.3	82%	0.818	77%	0.765	S	S	*	*			cis	-164.3	140.4	32.5	-131.5	0	0	0	0	109.2
390	N	30.4	Very low	31.8	Very low	154 Å²	154	141 Å²	141	82%	0.824	75%	0.746	S	S	*	*			trans	-68.3	155	160.4	-90.3	-24.2	0	0	0	110.9
391	R	28.6	Very low	32.3	Very low	237 Å²	237	136 Å²	136	89%	0.894	73%	0.731	S	S	*	*			trans	103	97.7	166.4	-64.7	-179.5	-176.5	-171.8	1.4	114.5
392	L	31.4	Very low	32.9	Very low	151 Å²	151	134.2 Å²	134.2	79%	0.791	73%	0.729	S	S	*	*			trans	171.2	75.3	140.2	-90.2	153.1	0	0	0	107.5
393	E	29.3	Very low	33.6	Very low	192 Å²	192	135.1 Å²	135.1	90%	0.897	73%	0.726	S	S	*	*			trans	-122.7	79.4	172.5	-77.4	-168.5	164.8	0	0	109.4
394	R	30.5	Very low	34.6	Very low	237 Å²	237	131.8 Å²	131.8	89%	0.894	71%	0.707	S	S	*	*	S	Bend	trans	-167	-1.6	151.3	-118.3	172.3	-95.7	176.6	-8.4	117.4
395	D	29.6	Very low	36.2	Very low	142 Å²	142	125.8 Å²	125.8	76%	0.759	68%	0.678	S	S	*	*	S	Bend	trans	-116.1	14.8	-171.2	-71.8	-27.1	0	0	0	116.9
396	S	32.1	Very low	38.4	Very low	68 Å²	68	122.7 Å²	122.7	48%	0.476	64%	0.644	S	S	.	*			trans	-116.8	11.7	-166.5	-43	0	0	0	0	117.5	S398 S399	S396-S398 VanDerWaalsContact C-N 3.28Å; S396-S398 PolarHBondContact O-N 3.46Å; S396-S399 PolarHBondContact O-N 2.81Å; S396-S399 PolarHBondContact O-OG 3.32Å
397	I	34.7	Very low	41	Very low	150 Å²	150	118.6 Å²	118.6	77%	0.769	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-19.9	-177.2	-58.6	176.4	0	0	0	112.1
398	S	33.8	Very low	44	Very low	103 Å²	103	107.9 Å²	107.9	72%	0.72	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-10.9	177.4	65.3	0	0	0	0	115	S396 S401	S396-S398 VanDerWaalsContact C-N 3.28Å; S396-S398 PolarHBondContact O-N 3.46Å; S398-S401 PolarHBondContact O-OG 3.15Å
399	S	32.9	Very low	47	Very low	63 Å²	63	99.9 Å²	99.9	44%	0.441	54%	0.535	S	S	.	.	S	Bend	trans	-93.6	-7.8	-179	55.6	0	0	0	0	113.8	S396 S402	S396-S399 PolarHBondContact O-N 2.81Å; S396-S399 PolarHBondContact O-OG 3.32Å; S399-S402 PolarHBondContact O-OG 2.97Å; S399-S402 VanDerWaalsContact O-OG 3.08Å
400	V	34	Very low	50.1	Low	82 Å²	82	93.4 Å²	93.4	50%	0.497	50%	0.496	S	S	.	.	S	Bend	trans	-83.8	-26.8	-178.9	-154	0	0	0	0	111.4	S402	V400-S402 PolarHBondContact O-N 3.06Å
401	S	40	Very low	53.3	Low	74 Å²	74	86.1 Å²	86.1	52%	0.517	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.9	175.1	55.5	0	0	0	0	114.1	S398	S398-S401 PolarHBondContact O-OG 3.15Å
402	S	45.2	Very low	56.7	Low	92 Å²	92	74.8 Å²	74.8	64%	0.643	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.7	-179.2	74.2	0	0	0	0	114.4	S399 V400	S399-S402 PolarHBondContact O-OG 2.97Å; S399-S402 VanDerWaalsContact O-OG 3.08Å; V400-S402 PolarHBondContact O-N 3.06Å
403	L	49	Very low	59.9	Low	108 Å²	108	67.6 Å²	67.6	57%	0.565	38%	0.377	S	S	*	.	S	Bend	trans	-101.4	-0.2	-177.4	-70.1	170.9	0	0	0	113.6	S351	S351-L403 PolarHBondContact N-O 3.37Å
404	C	54.1	Low	63.1	Low	47 Å²	47	58.5 Å²	58.5	32%	0.318	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133	173.8	-53.7	0	0	0	0	112.2	V348 Y349 C350	V348-C404 HydrophobicContact CG1-CB 4.37Å; Y349-C404 CarbonylContact O-C 3.56Å; Y349-C404 WeakPolarHBondContact O-CA 3.37Å; Y349-C404 WeakPolarHBondContact O-CB 3.32Å; C350-C404 WeakPolarHBondContact CA-SG 3.46Å; C350-C404 HydrophobicContact CB-CB 4.23Å; C350-C404 WeakPolarHBondContact CB-SG 3.44Å; C350-C404 WeakPolarHBondContact SG-CB 3.16Å; C350-C404 CovalentContact SG-SG 2.04Å; C350-C404 PolarHBondContact SG-SG 2.71Å
405	S	67	Low	66.2	Low	39 Å²	39	50 Å²	50	27%	0.273	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.7	173.3	-179.2	0	0	0	0	108.2	Y349	Y349-S405 WeakPolarHBondContact CB-O 3.29Å; Y349-S405 WeakPolarHBondContact CD2-O 3.47Å; Y349-S405 PolarHBondContact N-O 2.91Å; Y349-S405 PolarHBondContact O-N 3.45Å
406	V	78.1	Confident	69.3	Low	9 Å²	9	44.3 Å²	44.3	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.5	177.5	-169.4	0	0	0	0	109.2	L347 V348 L357 Y408 E426	L347-V406 WeakPolarHBondContact O-CA 3.48Å; V348-V406 HydrophobicContact CB-CG2 4.49Å; V348-V406 HydrophobicContact CG1-CG2 4.21Å; V348-V406 HydrophobicContact CG2-CG1 4.11Å; V348-V406 HydrophobicContact CG2-CG2 4.03Å; L357-V406 HydrophobicContact CD1-CG1 4.36Å; V406-Y408 HydrophobicContact CB-CE2 4.05Å; V406-Y408 HydrophobicContact CG1-CD1 4.34Å; V406-Y408 HydrophobicContact CG1-CD2 4.22Å; V406-Y408 HydrophobicContact CG1-CE1 3.8Å; V406-Y408 HydrophobicContact CG1-CE2 3.65Å; V406-Y408 VanDerWaalsContact CG1-CZ 3.43Å; V406-E426 PolarHBondContact O-N 3.37Å; V406-E426 VanDerWaalsContact O-N 3.13Å
407	T	88.2	Confident	72.4	Confident	13 Å²	13	41.5 Å²	41.5	8%	0.08	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.1	167.9	-174.1	0	0	0	0	108.9	S346 L347 Y349 L424	S346-T407 CarbonylContact C-O 3.46Å; S346-T407 VanDerWaalsContact CA-O 3.24Å; S346-T407 WeakPolarHBondContact CA-O 3.33Å; L347-T407 HydrophobicContact CB-CG2 3.83Å; L347-T407 HydrophobicContact CG-CG2 4.34Å; L347-T407 PolarHBondContact N-O 2.98Å; L347-T407 PolarHBondContact O-N 2.82Å; Y349-T407 HydrophobicContact CE2-CG2 4.02Å; T407-L424 CarbonylContact C-O 3.58Å; T407-L424 VanDerWaalsContact CA-O 3.31Å; T407-L424 WeakPolarHBondContact CA-O 3.44Å; T407-L424 PolarHBondContact OG1-O 2.93Å
408	Y	92.4	Very high	75.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.6	175.4	-56.1	-88.4	0	0	0	109.2	D302 Y305 V406 D423 L424	D302-Y408 WeakPolarHBondContact OD1-CE1 3.36Å; D302-Y408 PolarHBondContact OD2-OH 3.2Å; Y305-Y408 HydrophobicContact CD2-CE1 4.5Å; Y305-Y408 AromaticContact CD2-CE2 3.93Å; Y305-Y408 HydrophobicContact CD2-CE2 3.93Å; Y305-Y408 AromaticContact CD2-CZ 3.9Å; Y305-Y408 AromaticContact CE2-CE2 3.67Å; Y305-Y408 HydrophobicContact CE2-CE2 3.67Å; Y305-Y408 AromaticContact CE2-CZ 3.82Å; V406-Y408 HydrophobicContact CB-CE2 4.05Å; V406-Y408 HydrophobicContact CG1-CD1 4.34Å; V406-Y408 HydrophobicContact CG1-CD2 4.22Å; V406-Y408 HydrophobicContact CG1-CE1 3.8Å; V406-Y408 HydrophobicContact CG1-CE2 3.65Å; V406-Y408 VanDerWaalsContact CG1-CZ 3.43Å; Y408-D423 WeakPolarHBondContact O-CA 3.4Å; Y408-L424 PolarHBondContact N-O 2.82Å; Y408-L424 PolarHBondContact O-N 2.84Å
409	R	94.5	Very high	78.4	Confident	1 Å²	1	29.8 Å²	29.8	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.9	164.7	179.9	151.7	-54.6	125	-4.2	110.3	R31 E32 D342 T345 S346 W422 D423	R31-R409 VanDerWaalsContact NH2-NH2 3.1Å; E32-R409 IonicContact OE1-CZ 3.13Å; E32-R409 VanDerWaalsContact OE1-CZ 3.23Å; E32-R409 IonicContact OE1-NH1 3.14Å; E32-R409 PolarHBondContact OE1-NH1 2.89Å; E32-R409 IonicContact OE1-NH2 3.9Å; E32-R409 PolarHBondContact OE1-NH2 3.33Å; E32-R409 IonicContact OE2-CZ 3.97Å; E32-R409 IonicContact OE2-NH1 3.49Å; E32-R409 PolarHBondContact OE2-NH1 3.02Å; E32-R409 IonicContact OE2-NH2 3.23Å; D342-R409 HydrophobicContact CB-CB 4.07Å; D342-R409 HydrophobicContact CB-CG 4Å; D342-R409 PolarHBondContact N-O 2.68Å; T345-R409 VanDerWaalsContact OG1-CB 3.31Å; T345-R409 WeakPolarHBondContact OG1-CB 3.4Å; T345-R409 WeakPolarHBondContact OG1-CD 3.26Å; T345-R409 PolarHBondContact OG1-NH1 3.33Å; S346-R409 PolarHBondContact OG-N 3.32Å; S346-R409 VanDerWaalsContact OG-N 3.16Å; R409-W422 WeakPolarHBondContact CA-O 3.42Å; R409-D423 IonicContact CZ-OD1 3.92Å; R409-D423 IonicContact CZ-OD2 3.89Å; R409-D423 IonicContact NE-OD1 3.49Å; R409-D423 PolarHBondContact NE-OD1 3.34Å; R409-D423 VanDerWaalsContact NH2-CG 3.28Å; R409-D423 IonicContact NH2-OD1 2.97Å; R409-D423 PolarHBondContact NH2-OD1 3.23Å; R409-D423 IonicContact NH2-OD2 3.89Å; R409-D423 PolarHBondContact NH2-OD2 3.1Å
410	F	96.9	Very high	81.5	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160.9	165.8	74.2	-84.3	0	0	0	110.8	A307 V315 I317 A340 F341 W422 L424 I557	A307-F410 HydrophobicContact CB-CD2 4.34Å; A307-F410 HydrophobicContact CB-CE2 4.49Å; V315-F410 HydrophobicContact CB-CE2 4.26Å; V315-F410 HydrophobicContact CG1-CE2 4.45Å; V315-F410 HydrophobicContact CG2-CE2 4.13Å; V315-F410 HydrophobicContact CG2-CZ 4.08Å; I317-F410 HydrophobicContact CD1-CD1 4.45Å; I317-F410 HydrophobicContact CD1-CE1 3.79Å; I317-F410 HydrophobicContact CD1-CE2 4.28Å; I317-F410 HydrophobicContact CD1-CZ 3.69Å; I317-F410 HydrophobicContact CG1-CE1 4.43Å; I317-F410 HydrophobicContact CG1-CZ 4.42Å; A340-F410 CarbonylContact O-C 3.55Å; A340-F410 VanDerWaalsContact O-CA 3.27Å; A340-F410 WeakPolarHBondContact O-CA 3.34Å; A340-F410 VanDerWaalsContact O-CB 3.29Å; A340-F410 WeakPolarHBondContact O-CB 3.39Å; F341-F410 HydrophobicContact CB-CB 4.46Å; F341-F410 HydrophobicContact CD1-CB 3.79Å; F341-F410 HydrophobicContact CD2-CB 4.3Å; F341-F410 HydrophobicContact CE1-CB 4.04Å; F341-F410 HydrophobicContact CE1-CD1 4.34Å; F341-F410 HydrophobicContact CE1-CG 4.48Å; F341-F410 HydrophobicContact CG-CB 3.93Å; F341-F410 HydrophobicContact CZ-CB 4.42Å; F410-W422 HydrophobicContact CD1-CB 3.7Å; F410-W422 HydrophobicContact CD1-CG 4.39Å; F410-W422 HydrophobicContact CD2-CB 4.23Å; F410-W422 AromaticContact CD2-CD1 3.53Å; F410-W422 HydrophobicContact CD2-CG 4.08Å; F410-W422 HydrophobicContact CE1-CB 3.24Å; F410-W422 AromaticContact CE1-CG 3.83Å; F410-W422 HydrophobicContact CE1-CG 3.83Å; F410-W422 HydrophobicContact CE2-CB 3.85Å; F410-W422 AromaticContact CE2-CD1 3.17Å; F410-W422 HydrophobicContact CE2-CD2 4.17Å; F410-W422 AromaticContact CE2-CG 3.48Å; F410-W422 HydrophobicContact CE2-CG 3.48Å; F410-W422 VanDerWaalsContact CE2-CG 3.48Å; F410-W422 AromaticContact CE2-NE1 3.71Å; F410-W422 HydrophobicContact CG-CB 4.16Å; F410-W422 HydrophobicContact CG-CG 4.49Å; F410-W422 HydrophobicContact CZ-CB 3.32Å; F410-W422 AromaticContact CZ-CD1 3.57Å; F410-W422 AromaticContact CZ-CD2 3.94Å; F410-W422 HydrophobicContact CZ-CD2 3.94Å; F410-W422 AromaticContact CZ-CG 3.32Å; F410-W422 HydrophobicContact CZ-CG 3.32Å; F410-W422 PolarHBondContact N-O 3.03Å; F410-W422 PolarHBondContact O-N 3.29Å; F410-L424 HydrophobicContact CD1-CD1 3.94Å; F410-L424 HydrophobicContact CD1-CG 4.12Å; F410-L424 HydrophobicContact CE1-CD1 3.74Å; F410-L424 HydrophobicContact CE1-CD2 3.99Å; F410-L424 HydrophobicContact CE1-CG 3.75Å; F410-I557 HydrophobicContact CE1-CD1 4.15Å; F410-I557 HydrophobicContact CZ-CD1 3.96Å
411	G	97.9	Very high	84.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155.7	174.7	0	0	0	0	0	111.6	V339 A340 C420	V339-G411 WeakPolarHBondContact CA-O 3.06Å; A340-G411 PolarHBondContact N-O 2.79Å; A340-G411 PolarHBondContact O-N 3.35Å; G411-C420 CarbonylContact C-O 3.59Å; G411-C420 WeakPolarHBondContact CA-O 3.28Å
412	S	98.6	Very high	87.2	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.5	172.4	62.8	0	0	0	0	110.7	H332 K338 C420 W422	H332-S412 PolarHBondContact CD2-OG 3.19Å; H332-S412 WeakPolarHBondContact NE2-CB 3.47Å; H332-S412 PolarHBondContact NE2-OG 2.87Å; K338-S412 CarbonylContact O-C 3.53Å; K338-S412 VanDerWaalsContact O-CA 3.27Å; K338-S412 WeakPolarHBondContact O-CA 3.13Å; S412-C420 PolarHBondContact N-O 2.76Å; S412-C420 PolarHBondContact O-N 3.14Å; S412-C420 WeakPolarHBondContact OG-CB 3.32Å; S412-W422 PolarHBondContact OG-NE1 3.06Å
413	V	98.3	Very high	89.5	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.3	173	-66.9	0	0	0	0	109.5	S337 K338 L418 L419 L570 I573	S337-V413 PolarHBondContact N-O 2.9Å; S337-V413 PolarHBondContact OG-O 3.23Å; K338-V413 HydrophobicContact CB-CG2 3.62Å; K338-V413 PolarHBondContact N-O 2.88Å; K338-V413 PolarHBondContact O-N 3Å; V413-L418 WeakPolarHBondContact CA-O 3.26Å; V413-L419 HydrophobicContact CG1-CB 4.4Å; V413-L419 HydrophobicContact CG1-CD1 3.75Å; V413-L570 HydrophobicContact CB-CB 3.66Å; V413-L570 HydrophobicContact CB-CD1 3.78Å; V413-L570 HydrophobicContact CB-CG 4.33Å; V413-L570 HydrophobicContact CG1-CB 4.34Å; V413-L570 HydrophobicContact CG1-CD1 3.81Å; V413-L570 HydrophobicContact CG2-CB 3.99Å; V413-I573 HydrophobicContact CG1-CB 4Å; V413-I573 HydrophobicContact CG1-CD1 4.27Å; V413-I573 HydrophobicContact CG2-CB 4.09Å; V413-I573 HydrophobicContact CG2-CG2 4.05Å
414	G	97	Very high	91.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	173.5	-172.6	0	0	0	0	0	115.1	H332 W335 D416 T417 L418 L570	H332-G414 PolarHBondContact CE1-N 2.85Å; W335-G414 CarbonylContact O-C 3.58Å; W335-G414 VanDerWaalsContact O-CA 3.25Å; W335-G414 WeakPolarHBondContact O-CA 3.1Å; G414-D416 WeakPolarHBondContact CA-OD1 3.33Å; G414-D416 PolarHBondContact O-N 3.31Å; G414-T417 PolarHBondContact O-N 2.65Å; G414-T417 VanDerWaalsContact O-N 3.17Å; G414-L418 PolarHBondContact N-O 2.59Å; G414-L570 PolarHBondContact O-N 3.19Å
415	H	95.6	Very high	92.8	Very high	59 Å²	59	11 Å²	11	27%	0.273	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.7	170.3	-74.5	-175.9	0	0	0	113.2	W335 T417 R569	W335-H415 AromaticContact CE3-CE1 3.78Å; W335-H415 AromaticContact CE3-ND1 3.83Å; W335-H415 PolarHBondContact O-N 3.1Å; H415-T417 PolarHBondContact O-N 2.75Å; H415-R569 HydrophobicContact CB-CB 4.36Å
416	D	95.3	Very high	93.1	Very high	23 Å²	23	10.9 Å²	10.9	12%	0.123	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	1.1	172.1	61.2	0	0	0	0	113.7	H332 R333 G414 L418	H332-D416 WeakPolarHBondContact CA-OD2 3.4Å; H332-D416 VanDerWaalsContact CB-OD2 3.3Å; H332-D416 WeakPolarHBondContact CB-OD2 3.35Å; H332-D416 IonicContact CE1-OD1 3.32Å; H332-D416 IonicContact CG-OD2 3.93Å; H332-D416 IonicContact ND1-OD1 3.32Å; H332-D416 PolarHBondContact ND1-OD1 3.14Å; H332-D416 VanDerWaalsContact ND1-OD1 3.16Å; H332-D416 IonicContact ND1-OD2 3.53Å; H332-D416 PolarHBondContact ND1-OD2 2.97Å; R333-D416 HydrophobicContact CB-CB 4.12Å; R333-D416 PolarHBondContact N-OD2 2.91Å; G414-D416 WeakPolarHBondContact CA-OD1 3.33Å; G414-D416 PolarHBondContact O-N 3.31Å; D416-L418 HydrophobicContact CB-CD1 4.4Å; D416-L418 HydrophobicContact CB-CG 4.13Å; D416-L418 PolarHBondContact O-N 3.41Å; D416-L418 WeakPolarHBondContact OD1-CB 3.3Å; D416-L418 PolarHBondContact OD1-N 3.4Å; D416-L418 VanDerWaalsContact OD2-CD1 3.3Å; D416-L418 WeakPolarHBondContact OD2-CD1 3.31Å; D416-L418 WeakPolarHBondContact OD2-CG 3.27Å
417	T	96.4	Very high	92.5	Very high	9 Å²	9	16 Å²	16	6%	0.055	9%	0.086	C	C	.	.	S	Bend	trans	66.2	15.2	-179.4	73.5	0	0	0	0	114	G414 H415 K564 I565 A566 E568	G414-T417 PolarHBondContact O-N 2.65Å; G414-T417 VanDerWaalsContact O-N 3.17Å; H415-T417 PolarHBondContact O-N 2.75Å; T417-K564 WeakPolarHBondContact O-CA 3.39Å; T417-K564 WeakPolarHBondContact OG1-CG 3.24Å; T417-K564 PolarHBondContact OG1-NZ 3.49Å; T417-I565 PolarHBondContact O-N 3Å; T417-A566 WeakPolarHBondContact CB-O 3.42Å; T417-A566 PolarHBondContact OG1-O 2.95Å; T417-E568 VanDerWaalsContact CG2-C 3.43Å; T417-E568 VanDerWaalsContact CG2-O 3.27Å; T417-E568 WeakPolarHBondContact CG2-O 3.42Å
418	L	97.5	Very high	91.4	Very high	7 Å²	7	20.8 Å²	20.8	4%	0.037	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	141.6	179.2	-56.7	-176.2	0	0	0	111	H332 R333 V413 G414 D416 K563 K564 L570	H332-L418 PolarHBondContact CE1-O 3.48Å; R333-L418 HydrophobicContact CG-CD1 4.36Å; V413-L418 WeakPolarHBondContact CA-O 3.26Å; G414-L418 PolarHBondContact N-O 2.59Å; D416-L418 HydrophobicContact CB-CD1 4.4Å; D416-L418 HydrophobicContact CB-CG 4.13Å; D416-L418 PolarHBondContact O-N 3.41Å; D416-L418 WeakPolarHBondContact OD1-CB 3.3Å; D416-L418 PolarHBondContact OD1-N 3.4Å; D416-L418 VanDerWaalsContact OD2-CD1 3.3Å; D416-L418 WeakPolarHBondContact OD2-CD1 3.31Å; D416-L418 WeakPolarHBondContact OD2-CG 3.27Å; L418-K563 CarbonylContact C-O 3.57Å; L418-K563 WeakPolarHBondContact CA-O 3.17Å; L418-K564 HydrophobicContact CD2-CB 3.84Å; L418-L570 WeakPolarHBondContact O-CD1 3.28Å
419	L	97.9	Very high	90.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.3	158.9	170.6	65.4	0	0	0	108.1	F28 V413 L421 I561 S562 K563 I565 I573	F28-L419 HydrophobicContact CE1-CD2 3.72Å; F28-L419 HydrophobicContact CZ-CD2 3.88Å; V413-L419 HydrophobicContact CG1-CB 4.4Å; V413-L419 HydrophobicContact CG1-CD1 3.75Å; L419-L421 HydrophobicContact CD1-CD2 4.4Å; L419-I561 HydrophobicContact CD2-CD1 4.21Å; L419-I561 HydrophobicContact CG-CD1 4.09Å; L419-S562 WeakPolarHBondContact O-CA 3.38Å; L419-K563 PolarHBondContact N-O 2.91Å; L419-K563 PolarHBondContact O-N 3.41Å; L419-I565 HydrophobicContact CB-CD1 3.8Å; L419-I565 HydrophobicContact CB-CG1 4.06Å; L419-I565 HydrophobicContact CB-CG2 4.12Å; L419-I565 HydrophobicContact CD2-CD1 4.38Å; L419-I573 HydrophobicContact CD1-CD1 3.57Å; L419-I573 HydrophobicContact CD1-CG1 4.5Å
420	C	98.1	Very high	88.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.1	170.4	-71.4	0	0	0	0	110.8	G411 S412 W422 P559 I561 S562	G411-C420 CarbonylContact C-O 3.59Å; G411-C420 WeakPolarHBondContact CA-O 3.28Å; S412-C420 PolarHBondContact N-O 2.76Å; S412-C420 PolarHBondContact O-N 3.14Å; S412-C420 WeakPolarHBondContact OG-CB 3.32Å; C420-W422 HydrophobicContact CB-CZ2 3.69Å; C420-P559 HydrophobicContact CB-CB 4.05Å; C420-I561 WeakPolarHBondContact CA-O 3.34Å; C420-S562 PolarHBondContact SG-OG 3.24Å
421	L	97.6	Very high	86.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	145.4	167.8	-63.5	-178.2	0	0	0	109	F28 T30 L419 P559 L560 I561 F575	F28-L421 HydrophobicContact CE2-CD1 3.85Å; F28-L421 HydrophobicContact CZ-CD1 4.48Å; T30-L421 HydrophobicContact CG2-CD1 4.13Å; L419-L421 HydrophobicContact CD1-CD2 4.4Å; L421-P559 CarbonylContact O-C 3.57Å; L421-P559 WeakPolarHBondContact O-CA 3.4Å; L421-L560 WeakPolarHBondContact O-CB 3.37Å; L421-L560 PolarHBondContact O-N 3.45Å; L421-I561 HydrophobicContact CB-CG1 3.73Å; L421-I561 HydrophobicContact CD1-CD1 4.31Å; L421-I561 HydrophobicContact CD1-CG1 3.89Å; L421-I561 HydrophobicContact CG-CD1 4.03Å; L421-I561 HydrophobicContact CG-CG1 3.67Å; L421-I561 PolarHBondContact N-O 2.94Å; L421-F575 HydrophobicContact CD2-CE1 4.14Å; L421-F575 HydrophobicContact CD2-CZ 3.89Å
422	W	96.2	Very high	84.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.5	-171.9	-46.8	85.9	0	0	0	109.2	V315 R409 F410 S412 C420 I557 P559	V315-W422 HydrophobicContact CG1-CZ2 4.07Å; V315-W422 HydrophobicContact CG2-CD2 4.07Å; V315-W422 HydrophobicContact CG2-CE3 4.19Å; V315-W422 HydrophobicContact CG2-CH2 3.76Å; V315-W422 HydrophobicContact CG2-CZ2 3.63Å; V315-W422 HydrophobicContact CG2-CZ3 4.04Å; R409-W422 WeakPolarHBondContact CA-O 3.42Å; F410-W422 HydrophobicContact CD1-CB 3.7Å; F410-W422 HydrophobicContact CD1-CG 4.39Å; F410-W422 HydrophobicContact CD2-CB 4.23Å; F410-W422 AromaticContact CD2-CD1 3.53Å; F410-W422 HydrophobicContact CD2-CG 4.08Å; F410-W422 HydrophobicContact CE1-CB 3.24Å; F410-W422 AromaticContact CE1-CG 3.83Å; F410-W422 HydrophobicContact CE1-CG 3.83Å; F410-W422 HydrophobicContact CE2-CB 3.85Å; F410-W422 AromaticContact CE2-CD1 3.17Å; F410-W422 HydrophobicContact CE2-CD2 4.17Å; F410-W422 AromaticContact CE2-CG 3.48Å; F410-W422 HydrophobicContact CE2-CG 3.48Å; F410-W422 VanDerWaalsContact CE2-CG 3.48Å; F410-W422 AromaticContact CE2-NE1 3.71Å; F410-W422 HydrophobicContact CG-CB 4.16Å; F410-W422 HydrophobicContact CG-CG 4.49Å; F410-W422 HydrophobicContact CZ-CB 3.32Å; F410-W422 AromaticContact CZ-CD1 3.57Å; F410-W422 AromaticContact CZ-CD2 3.94Å; F410-W422 HydrophobicContact CZ-CD2 3.94Å; F410-W422 AromaticContact CZ-CG 3.32Å; F410-W422 HydrophobicContact CZ-CG 3.32Å; F410-W422 PolarHBondContact N-O 3.03Å; F410-W422 PolarHBondContact O-N 3.29Å; S412-W422 PolarHBondContact OG-NE1 3.06Å; C420-W422 HydrophobicContact CB-CZ2 3.69Å; W422-I557 HydrophobicContact CB-CD1 4.39Å; W422-I557 HydrophobicContact CD2-CD1 4.35Å; W422-I557 HydrophobicContact CE3-CD1 3.73Å; W422-I557 HydrophobicContact CE3-CG1 3.79Å; W422-I557 HydrophobicContact CZ3-CD1 4.42Å; W422-I557 HydrophobicContact CZ3-CG1 4.06Å; W422-P559 HydrophobicContact CD2-CB 4.22Å; W422-P559 HydrophobicContact CE3-CB 3.98Å; W422-P559 HydrophobicContact CH2-CB 4.01Å; W422-P559 HydrophobicContact CH2-CG 4.27Å; W422-P559 HydrophobicContact CZ2-CB 4.22Å; W422-P559 HydrophobicContact CZ3-CB 3.87Å; W422-P559 HydrophobicContact CZ3-CG 4.23Å
423	D	92.8	Very high	81.8	Confident	38 Å²	38	40.5 Å²	40.5	20%	0.203	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.6	171.4	-75.3	-0.8	0	0	0	108.4	R31 Y408 R409	R31-D423 IonicContact CZ-OD2 2.9Å; R31-D423 IonicContact NE-OD2 3.85Å; R31-D423 IonicContact NH1-OD2 3.47Å; R31-D423 PolarHBondContact NH1-OD2 3.43Å; R31-D423 IonicContact NH2-OD2 2.87Å; Y408-D423 WeakPolarHBondContact O-CA 3.4Å; R409-D423 IonicContact CZ-OD1 3.92Å; R409-D423 IonicContact CZ-OD2 3.89Å; R409-D423 IonicContact NE-OD1 3.49Å; R409-D423 PolarHBondContact NE-OD1 3.34Å; R409-D423 VanDerWaalsContact NH2-CG 3.28Å; R409-D423 IonicContact NH2-OD1 2.97Å; R409-D423 PolarHBondContact NH2-OD1 3.23Å; R409-D423 IonicContact NH2-OD2 3.89Å; R409-D423 PolarHBondContact NH2-OD2 3.1Å
424	L	89.4	Confident	79.1	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.7	170.5	-57.2	173.2	0	0	0	107.7	I317 T407 Y408 F410 L429 I557	I317-L424 HydrophobicContact CD1-CD1 4.08Å; I317-L424 HydrophobicContact CG1-CD1 4Å; I317-L424 HydrophobicContact CG1-CD2 4.3Å; I317-L424 HydrophobicContact CG2-CD1 4.14Å; T407-L424 CarbonylContact C-O 3.58Å; T407-L424 VanDerWaalsContact CA-O 3.31Å; T407-L424 WeakPolarHBondContact CA-O 3.44Å; T407-L424 PolarHBondContact OG1-O 2.93Å; Y408-L424 PolarHBondContact N-O 2.82Å; Y408-L424 PolarHBondContact O-N 2.84Å; F410-L424 HydrophobicContact CD1-CD1 3.94Å; F410-L424 HydrophobicContact CD1-CG 4.12Å; F410-L424 HydrophobicContact CE1-CD1 3.74Å; F410-L424 HydrophobicContact CE1-CD2 3.99Å; F410-L424 HydrophobicContact CE1-CG 3.75Å; L424-L429 HydrophobicContact CB-CD1 4.07Å; L424-L429 HydrophobicContact CD2-CD2 4.35Å; L424-I557 HydrophobicContact CD2-CD1 3.69Å; L424-I557 HydrophobicContact CD2-CG2 4.3Å
425	S	83.4	Confident	76	Confident	33 Å²	33	53.4 Å²	53.4	23%	0.231	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.7	167.1	65.6	0	0	0	0	109.5	D427 E428 L429	S425-D427 PolarHBondContact O-N 2.8Å; S425-D427 VanDerWaalsContact O-N 3.14Å; S425-E428 PolarHBondContact N-OE2 2.89Å; S425-E428 PolarHBondContact O-N 2.77Å; S425-E428 WeakPolarHBondContact OG-CG 3.41Å; S425-E428 PolarHBondContact OG-OE2 2.89Å; S425-L429 WeakPolarHBondContact O-CG 3.42Å; S425-L429 PolarHBondContact O-N 3.08Å
426	E	72.7	Confident	73.3	Confident	36 Å²	36	59.6 Å²	59.6	17%	0.168	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-27.1	179	-161.6	-174.1	147	0	0	112.5	V406 E428 L429 K430	V406-E426 PolarHBondContact O-N 3.37Å; V406-E426 VanDerWaalsContact O-N 3.13Å; E426-E428 VanDerWaalsContact C-N 3.31Å; E426-E428 PolarHBondContact O-N 3.06Å; E426-L429 PolarHBondContact O-N 3.11Å; E426-L429 VanDerWaalsContact O-N 3.17Å; E426-K430 PolarHBondContact O-N 2.92Å; E426-K430 WeakPolarHBondContact OE1-CE 3.39Å; E426-K430 IonicContact OE1-NZ 2.75Å; E426-K430 PolarHBondContact OE1-NZ 3.3Å
427	D	66.5	Low	70.4	Confident	117 Å²	117	65.7 Å²	65.7	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-65.4	-32.2	176.4	-63.1	-36	0	0	0	112.5	S425	S425-D427 PolarHBondContact O-N 2.8Å; S425-D427 VanDerWaalsContact O-N 3.14Å
428	E	64.2	Low	67.3	Low	113 Å²	113	69.8 Å²	69.8	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-79.9	-21.3	173.9	-71.2	167.3	150.3	0	0	112.8	S425 E426	S425-E428 PolarHBondContact N-OE2 2.89Å; S425-E428 PolarHBondContact O-N 2.77Å; S425-E428 WeakPolarHBondContact OG-CG 3.41Å; S425-E428 PolarHBondContact OG-OE2 2.89Å; E426-E428 VanDerWaalsContact C-N 3.31Å; E426-E428 PolarHBondContact O-N 3.06Å
429	L	67.3	Low	64.5	Low	6 Å²	6	80.6 Å²	80.6	3%	0.031	43%	0.428	C	S	.	.	H	α-helix	trans	-88.9	-19.9	-176.1	-65.5	175.5	0	0	0	113.2	Y305 V326 L424 S425 E426	Y305-L429 HydrophobicContact CE1-CD1 4.19Å; Y305-L429 HydrophobicContact CE2-CD1 4.3Å; V326-L429 HydrophobicContact CB-CD2 4.15Å; V326-L429 HydrophobicContact CG1-CB 3.87Å; V326-L429 HydrophobicContact CG1-CD2 3.46Å; V326-L429 VanDerWaalsContact CG1-CD2 3.46Å; V326-L429 HydrophobicContact CG1-CG 4.27Å; V326-L429 WeakPolarHBondContact CG1-O 3.4Å; L424-L429 HydrophobicContact CB-CD1 4.07Å; L424-L429 HydrophobicContact CD2-CD2 4.35Å; S425-L429 WeakPolarHBondContact O-CG 3.42Å; S425-L429 PolarHBondContact O-N 3.08Å; E426-L429 PolarHBondContact O-N 3.11Å; E426-L429 VanDerWaalsContact O-N 3.17Å
430	K	64.6	Low	61.6	Low	106 Å²	106	88.2 Å²	88.2	46%	0.461	47%	0.468	S	S	.	.	S	Bend	trans	-74.6	135.6	176.6	-77.4	169.5	-178	154.5	0	110	E426	E426-K430 PolarHBondContact O-N 2.92Å; E426-K430 WeakPolarHBondContact OE1-CE 3.39Å; E426-K430 IonicContact OE1-NZ 2.75Å; E426-K430 PolarHBondContact OE1-NZ 3.3Å
431	P	56.5	Low	58.5	Low	66 Å²	66	100.3 Å²	100.3	43%	0.429	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-61	144.4	173.7	26.5	-26	0	0	0	108.6	R324	R324-P431 VanDerWaalsContact NH2-CB 3.31Å
432	P	49.1	Very low	55.6	Low	116 Å²	116	105.1 Å²	105.1	75%	0.753	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-53.8	133.5	169.9	21.6	-30.3	0	0	0	108.3	L434	P432-L434 PolarHBondContact O-N 3.03Å
433	P	41.5	Very low	52.8	Low	121 Å²	121	110.8 Å²	110.8	79%	0.786	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-56	130.3	178.2	21.2	-30.3	0	0	0	108.4
434	L	41.5	Very low	50.4	Low	155 Å²	155	114 Å²	114	81%	0.812	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-50.2	134.7	172	-73.3	166.8	0	0	0	108.1	P432 Q436	P432-L434 PolarHBondContact O-N 3.03Å; L434-Q436 PolarHBondContact O-N 3.37Å
435	P	32.8	Very low	47.9	Very low	115 Å²	115	122.2 Å²	122.2	75%	0.747	65%	0.651	S	S	*	*			trans	-57.5	111.3	175.5	20.5	-29	0	0	0	108	I437	P435-I437 VanDerWaalsContact C-N 3.35Å; P435-I437 PolarHBondContact O-N 3.09Å
436	Q	38.1	Very low	45.7	Very low	189 Å²	189	129.3 Å²	129.3	88%	0.883	68%	0.678	S	S	*	*			trans	-63.1	102.5	169.5	-78.6	-166.8	-23	0	0	106.5	L434 S438	L434-Q436 PolarHBondContact O-N 3.37Å; Q436-S438 VanDerWaalsContact C-N 3.26Å; Q436-S438 PolarHBondContact O-N 3.06Å
437	I	33.5	Very low	43.8	Very low	151 Å²	151	135.2 Å²	135.2	77%	0.774	71%	0.71	S	S	*	*			trans	-60.2	101.2	161	-62	173.9	0	0	0	105	P435 R439	P435-I437 VanDerWaalsContact C-N 3.35Å; P435-I437 PolarHBondContact O-N 3.09Å; I437-R439 VanDerWaalsContact C-N 3.33Å; I437-R439 PolarHBondContact O-N 2.89Å
438	S	33.1	Very low	42.4	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	72%	0.721	S	S	*	*			trans	-57	101.7	167.7	56.9	0	0	0	0	106.6	Q436 L440	Q436-S438 VanDerWaalsContact C-N 3.26Å; Q436-S438 PolarHBondContact O-N 3.06Å; S438-L440 PolarHBondContact O-N 3.38Å
439	R	37.1	Very low	41.2	Very low	234 Å²	234	138.5 Å²	138.5	88%	0.883	73%	0.734	S	S	*	*			trans	-65.3	91.2	166.9	-70.9	-175.3	-172.2	166.7	3	106.6	I437 R441	I437-R439 VanDerWaalsContact C-N 3.33Å; I437-R439 PolarHBondContact O-N 2.89Å; R439-R441 PolarHBondContact O-N 2.71Å
440	L	37.9	Very low	39.9	Very low	160 Å²	160	143.9 Å²	143.9	84%	0.838	77%	0.77	S	S	*	*			trans	-58.4	110.3	158.3	-78.6	167.1	0	0	0	106.2	S438 S442	S438-L440 PolarHBondContact O-N 3.38Å; L440-S442 PolarHBondContact O-N 3.41Å
441	R	32.9	Very low	38.3	Very low	253 Å²	253	147.5 Å²	147.5	96%	0.955	79%	0.79	S	S	*	*			trans	-59.5	103.1	169.9	-79	-178.1	172.2	178.9	-1.8	107.8	R439	R439-R441 PolarHBondContact O-N 2.71Å
442	S	36.2	Very low	37.3	Very low	101 Å²	101	152.2 Å²	152.2	71%	0.706	81%	0.811	S	S	*	*			trans	-121.9	109.3	155.7	175.1	0	0	0	0	106.8	L440 V444	L440-S442 PolarHBondContact O-N 3.41Å; S442-V444 PolarHBondContact O-N 3.3Å
443	S	37	Very low	36.6	Very low	120 Å²	120	153.7 Å²	153.7	84%	0.839	81%	0.813	S	S	*	*			trans	-72.1	104	174.3	49.9	0	0	0	0	109.3
444	V	44	Very low	36.1	Very low	105 Å²	105	158.7 Å²	158.7	64%	0.636	82%	0.816	S	S	*	*			trans	-137.8	117	156.1	-163.1	0	0	0	0	107.7	S442 F446	S442-V444 PolarHBondContact O-N 3.3Å; V444-F446 HydrophobicContact CG1-CD2 4.2Å; V444-F446 HydrophobicContact CG1-CE2 3.96Å; V444-F446 PolarHBondContact O-N 3.43Å
445	L	36.8	Very low	35.7	Very low	173 Å²	173	162.4 Å²	162.4	91%	0.906	82%	0.821	S	S	*	*			trans	-60.7	114	175.5	-77.5	152.4	0	0	0	109.8
446	F	36.9	Very low	35.8	Very low	182 Å²	182	161 Å²	161	80%	0.798	82%	0.82	S	S	*	*			trans	-135.6	115	156	-82.3	-77.3	0	0	0	109.3	V444 H448	V444-F446 HydrophobicContact CG1-CD2 4.2Å; V444-F446 HydrophobicContact CG1-CE2 3.96Å; V444-F446 PolarHBondContact O-N 3.43Å; F446-H448 PolarHBondContact O-N 3.47Å
447	N	32.3	Very low	35.6	Very low	160 Å²	160	156.9 Å²	156.9	86%	0.856	81%	0.811	S	S	*	*			trans	-62.9	108.8	166.4	-102.4	1.7	0	0	0	108.8
448	H	38.1	Very low	35.7	Very low	184 Å²	184	155.4 Å²	155.4	85%	0.852	81%	0.814	S	S	*	*			trans	-155.7	123.8	151.1	-87.2	-61.7	0	0	0	110.2	F446	F446-H448 PolarHBondContact O-N 3.47Å
449	S	37.1	Very low	35.7	Very low	115 Å²	115	160 Å²	160	80%	0.804	82%	0.822	S	S	*	*			trans	-61.9	139.8	178.2	-43.8	0	0	0	0	112.3	M451	S449-M451 PolarHBondContact O-N 3.06Å
450	P	40.3	Very low	35.7	Very low	120 Å²	120	157.6 Å²	157.6	78%	0.779	82%	0.823	S	S	*	*			trans	-82.8	113.3	169.1	30.1	-26.9	0	0	0	110.2	L452	P450-L452 PolarHBondContact O-N 3.08Å
451	M	31.3	Very low	36.1	Very low	181 Å²	181	155.6 Å²	155.6	89%	0.892	82%	0.82	S	S	*	*			trans	-57.8	123.8	151.8	-81.7	-85.8	163.9	0	0	108.8	S449	S449-M451 PolarHBondContact O-N 3.06Å
452	L	35.3	Very low	36.4	Very low	165 Å²	165	149.5 Å²	149.5	86%	0.864	81%	0.813	S	S	*	*			trans	-128.4	134.9	160.4	-105.7	159.9	0	0	0	109.3	P450	P450-L452 PolarHBondContact O-N 3.08Å
453	N	34.4	Very low	36.5	Very low	148 Å²	148	153.6 Å²	153.6	79%	0.791	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-56.7	132	-157.5	-89.4	-27.7	0	0	0	115.1
454	R	30.8	Very low	36.9	Very low	226 Å²	226	153.4 Å²	153.4	85%	0.853	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-71.4	123.7	155.2	-67.2	173.1	-159	174.2	6	108.5
455	Y	34.3	Very low	36.5	Very low	232 Å²	232	154.2 Å²	154.2	91%	0.91	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-91.2	118.7	142.6	-94.7	-85.7	0	0	0	107.8
456	A	35	Very low	36.6	Very low	87 Å²	87	152.6 Å²	152.6	72%	0.719	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-86.5	132.2	-172.6	0	0	0	0	0	111.7
457	S	32.9	Very low	36.5	Very low	101 Å²	101	153.6 Å²	153.6	71%	0.706	83%	0.826	S	S	*	*				54.2	104.7	128.9	174.8	0	0	0	0	119.3
458	S	36	Very low	36.5	Very low	120 Å²	120	151.6 Å²	151.6	84%	0.839	82%	0.822	S	S	*	*			trans	-113.5	119.4	134.6	64.2	0	0	0	0	109.5
459	K	33.7	Very low	36.4	Very low	194 Å²	194	151.1 Å²	151.1	84%	0.843	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-58.4	132.5	176.9	-69.5	172.1	174.3	175.9	0	111.5
460	M	35.9	Very low	36.2	Very low	183 Å²	183	151.5 Å²	151.5	90%	0.901	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-103.8	141.5	151.5	-81.9	-149.5	156.3	0	0	109.5
461	P	47	Very low	35.6	Very low	117 Å²	117	151.8 Å²	151.8	76%	0.76	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-77.8	153	175	32.7	-31.2	0	0	0	110.8
462	P	38.9	Very low	35.7	Very low	125 Å²	125	147.8 Å²	147.8	81%	0.812	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-79.7	138	-174.3	32	-31.8	0	0	0	111.8
463	Q	38.5	Very low	35.5	Very low	187 Å²	187	144.2 Å²	144.2	87%	0.874	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.4	138.7	163.4	-89.1	-175.4	-12.8	0	0	110.5
464	P	45.2	Very low	35.4	Very low	117 Å²	117	145.2 Å²	145.2	76%	0.76	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.9	149.6	169.9	32.9	-30.7	0	0	0	111.2
465	P	35.3	Very low	35.5	Very low	121 Å²	121	140.8 Å²	140.8	79%	0.786	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-96.5	131.3	-174.8	35.1	-28.4	0	0	0	111.6
466	T	39.1	Very low	35.3	Very low	140 Å²	140	137.3 Å²	137.3	86%	0.859	79%	0.791	S	S	*	*			trans	-144.9	114.8	159.8	47.8	0	0	0	0	113.8
467	K	35.3	Very low	35.2	Very low	203 Å²	203	139.1 Å²	139.1	88%	0.883	79%	0.793	S	S	*	*			trans	6.6	147.6	150.7	-58.7	177.5	-179.1	179.8	0	120.5
468	P	32.7	Very low	35	Very low	118 Å²	118	140 Å²	140	77%	0.766	79%	0.794	S	S	*	*			trans	-85.5	154.2	174.9	36.9	-32.3	0	0	0	111.4
469	I	35.2	Very low	34.9	Very low	173 Å²	173	141.3 Å²	141.3	89%	0.887	80%	0.797	S	S	*	*			trans	-157.1	149.7	151.9	-96.7	145.5	0	0	0	111.4
470	V	33.5	Very low	34.8	Very low	123 Å²	123	141.4 Å²	141.4	75%	0.745	80%	0.797	S	S	*	*			trans	-66.4	156.4	-172.2	170.6	0	0	0	0	115.4
471	T	28.3	Very low	34.7	Very low	127 Å²	127	138.5 Å²	138.5	78%	0.779	80%	0.795	S	S	*	*			trans	-26.8	147.7	168.1	47.7	0	0	0	0	120
472	A	32.8	Very low	34.1	Very low	96 Å²	96	139.9 Å²	139.9	79%	0.793	80%	0.796	S	S	*	*				170.9	132.9	112.5	0	0	0	0	0	114.7
473	A	30.8	Very low	33.9	Very low	91 Å²	91	141.5 Å²	141.5	75%	0.752	80%	0.798	S	S	*	*			trans	34.8	134.6	135	0	0	0	0	0	125
474	M	33.2	Very low	33.7	Very low	169 Å²	169	141 Å²	141	83%	0.833	80%	0.796	S	S	*	*				93.6	119.1	129.2	-82.2	174.5	152.4	0	0	123.4
475	E	31	Very low	33.2	Very low	132 Å²	132	142.3 Å²	142.3	62%	0.617	80%	0.802	S	S	*	*			trans	80.3	119	130.6	-71.9	-161.2	156.8	0	0	124.9
476	K	31.4	Very low	33.1	Very low	160 Å²	160	146.1 Å²	146.1	70%	0.696	81%	0.806	S	S	*	*			trans	67.8	125.4	132.4	-64	173	-177.9	146.8	0	120.3
477	T	31.8	Very low	33.1	Very low	125 Å²	125	145 Å²	145	77%	0.767	80%	0.801	S	S	*	*				163.6	117.8	90.7	-48.7	0	0	0	0	112.8
478	V	30.3	Very low	33.2	Very low	118 Å²	118	141 Å²	141	72%	0.715	80%	0.796	S	S	*	*			trans	26.2	127.3	142.2	-169.1	0	0	0	0	122.6
479	T	33.3	Very low	33.1	Very low	149 Å²	149	140.6 Å²	140.6	91%	0.914	80%	0.796	S	S	*	*			trans	-149	138.3	132.6	35	0	0	0	0	111.8
480	K	30.7	Very low	33.2	Very low	195 Å²	195	137.9 Å²	137.9	85%	0.848	79%	0.792	S	S	*	*			trans	-83.6	150.6	-170.4	-66.1	171.1	173.3	174.5	0	114.1
481	S	35.1	Very low	33	Very low	122 Å²	122	138.9 Å²	138.9	85%	0.853	79%	0.793	S	S	*	*			trans	-160.3	131.3	135.9	57.9	0	0	0	0	112.3
482	N	33.1	Very low	33.5	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	80%	0.798	S	S	*	*			trans	-63.5	146.5	-178	-80	-24.3	0	0	0	114.3
483	N	35.1	Very low	33.4	Very low	160 Å²	160	144.4 Å²	144.4	86%	0.856	80%	0.798	S	S	*	*				-166.8	128.5	112.9	-94.8	-14.9	0	0	0	111.9
484	Q	33.7	Very low	33.3	Very low	176 Å²	176	149.5 Å²	149.5	82%	0.822	80%	0.804	S	S	*	*			trans	-69	146	170.5	-66.4	166.1	2.4	0	0	109
485	T	35.1	Very low	33.2	Very low	144 Å²	144	145.8 Å²	145.8	88%	0.883	79%	0.794	S	S	*	*				-165.7	153.4	94.7	28.9	0	0	0	0	112.9
486	K	34	Very low	33	Very low	201 Å²	201	145.6 Å²	145.6	87%	0.874	80%	0.802	S	S	*	*			trans	-70.1	161.1	-172.4	-67.5	170.8	172.3	176.8	0	115.6
487	P	39.2	Very low	33	Very low	118 Å²	118	142.7 Å²	142.7	77%	0.766	81%	0.808	S	S	*	*			trans	-89.5	168.4	162.4	38.6	-31.5	0	0	0	111.5
488	P	36.9	Very low	32.8	Very low	118 Å²	118	141.5 Å²	141.5	77%	0.766	81%	0.811	S	S	*	*				-157.3	165.1	100.5	39.9	-19.8	0	0	0	117.9
489	S	30.4	Very low	33.2	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	82%	0.816	S	S	*	*			trans	13.8	135.6	148.8	62.1	0	0	0	0	122.9
490	S	36.9	Very low	33	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	82%	0.816	S	S	*	*				-171.4	137	126.7	57.7	0	0	0	0	112.4
491	D	30.8	Very low	33.2	Very low	144 Å²	144	136 Å²	136	77%	0.77	81%	0.811	S	S	*	*			trans	-54.5	158.6	169.4	-59.6	-61.9	0	0	0	113.8
492	H	38.6	Very low	33.2	Very low	191 Å²	191	142 Å²	142	88%	0.884	82%	0.815	S	S	*	*				-176.3	144.3	127.9	-90.8	-54.4	0	0	0	113
493	N	30.8	Very low	33	Very low	149 Å²	149	142.8 Å²	142.8	80%	0.797	82%	0.819	S	S	*	*			trans	-79.5	164.8	-169.2	-69.9	-49.3	0	0	0	115.6
494	F	28.4	Very low	33	Very low	198 Å²	198	144.8 Å²	144.8	87%	0.868	82%	0.82	S	S	*	*			trans	85.9	142	134.9	-129.9	-104.9	0	0	0	121.8
495	S	31	Very low	32.7	Very low	90 Å²	90	147.9 Å²	147.9	63%	0.629	82%	0.824	S	S	*	*			trans	94.3	92.8	151.2	-162.2	0	0	0	0	119.9
496	T	27.2	Very low	32.6	Very low	128 Å²	128	148.8 Å²	148.8	79%	0.785	82%	0.823	S	S	*	*				7	124.6	123.5	36.5	0	0	0	0	118.7
497	A	31.8	Very low	32.4	Very low	99 Å²	99	146.4 Å²	146.4	82%	0.818	82%	0.819	S	S	*	*			trans	-160.4	119.4	137.2	0	0	0	0	0	110
498	A	27	Very low	32.2	Very low	101 Å²	101	148 Å²	148	84%	0.835	82%	0.82	S	S	*	*			trans	-77.6	159.2	166.7	0	0	0	0	0	110.4
499	P	38.1	Very low	31.9	Very low	125 Å²	125	149.7 Å²	149.7	81%	0.812	82%	0.822	S	S	*	*			trans	-120.6	138.9	145.5	21.5	-3.2	0	0	0	112.1
500	T	30.1	Very low	31.9	Very low	149 Å²	149	152 Å²	152	91%	0.914	83%	0.825	S	S	*	*			trans	-61.5	146.7	170.3	45.6	0	0	0	0	111.9
501	G	33.7	Very low	31.7	Very low	72 Å²	72	153.2 Å²	153.2	74%	0.742	83%	0.828	S	S	*	*			trans	-166.6	71.3	-176.2	0	0	0	0	0	116.7
502	R	34.6	Very low	31.5	Very low	247 Å²	247	150.6 Å²	150.6	93%	0.932	83%	0.834	S	S	*	*			trans	43	115.3	142.6	-74.6	176.8	172.1	153.6	-2.1	121.1
503	N	29.2	Very low	31.2	Very low	163 Å²	163	145.1 Å²	145.1	87%	0.872	83%	0.83	S	S	*	*			trans	-28.7	126.1	149.1	-60.1	-31.8	0	0	0	115.4
504	K	35.4	Very low	31.1	Very low	203 Å²	203	146.3 Å²	146.3	88%	0.883	84%	0.836	S	S	*	*			trans	-146.1	116.8	141.9	-74.3	-164.3	-179.8	175	0	111.6
505	R	27.9	Very low	31.4	Very low	240 Å²	240	142.7 Å²	142.7	91%	0.906	84%	0.836	S	S	*	*			trans	-33.6	131.2	152.6	-107.7	170.4	162.9	162.5	-5.6	110.6
506	L	31.9	Very low	31.5	Very low	163 Å²	163	147.7 Å²	147.7	85%	0.853	85%	0.846	S	S	*	*			trans	-125.4	113.4	158.2	-142.5	82.2	0	0	0	109.5
507	L	31.4	Very low	31.8	Very low	152 Å²	152	150 Å²	150	80%	0.796	85%	0.853	S	S	*	*			trans	-63.8	136.2	159.5	-80.1	106.6	0	0	0	108.5
508	I	34.8	Very low	31.7	Very low	151 Å²	151	152.1 Å²	152.1	77%	0.774	85%	0.851	S	S	*	*			trans	-84.9	111.7	169	-56.6	166.6	0	0	0	106.3
509	N	30.8	Very low	32.1	Very low	153 Å²	153	156.7 Å²	156.7	82%	0.818	86%	0.856	S	S	*	*			trans	-123	118.1	158.7	-104.8	12.2	0	0	0	107.6	T511	N509-T511 PolarHBondContact O-N 3.49Å
510	L	29.2	Very low	31.7	Very low	159 Å²	159	159.6 Å²	159.6	83%	0.832	86%	0.855	S	S	*	*			trans	-69.1	119.8	170.1	-68.4	105.1	0	0	0	109.4
511	T	33.4	Very low	31.8	Very low	141 Å²	141	158 Å²	158	87%	0.865	85%	0.85	S	S	*	*			trans	-156.8	126.7	144.8	43.2	0	0	0	0	109.8	N509	N509-T511 PolarHBondContact O-N 3.49Å
512	G	27	Very low	31.9	Very low	88 Å²	88	159.5 Å²	159.5	91%	0.907	85%	0.849	S	S	*	*			trans	-69.6	145.9	176	0	0	0	0	0	112.4
513	G	32.5	Very low	31.8	Very low	77 Å²	77	153.2 Å²	153.2	79%	0.794	84%	0.843	S	S	*	*			trans	-166.9	92.6	176.3	0	0	0	0	0	110.7
514	N	26.7	Very low	31.9	Very low	173 Å²	173	149.8 Å²	149.8	93%	0.925	84%	0.838	S	S	*	*			trans	-66.5	128.8	174.5	-124.2	-5.4	0	0	0	110
515	S	35.8	Very low	31.8	Very low	123 Å²	123	147.3 Å²	147.3	86%	0.86	84%	0.84	S	S	*	*			trans	-150.7	120.5	159.7	-128.1	0	0	0	0	112.2
516	K	32.2	Very low	31.8	Very low	194 Å²	194	143.4 Å²	143.4	84%	0.843	84%	0.837	S	S	*	*			trans	-70.4	141.7	179.9	-65.6	170.1	175.6	172.1	0	110.2
517	N	33.9	Very low	31.9	Very low	176 Å²	176	141.9 Å²	141.9	94%	0.941	83%	0.834	S	S	*	*			trans	-150.2	149.3	149.4	-91.5	-24	0	0	0	111
518	N	29.9	Very low	31.9	Very low	144 Å²	144	141 Å²	141	77%	0.77	84%	0.835	S	S	*	*			trans	-129	115.8	-147.6	-171.9	23.3	0	0	0	107.2
519	E	35.4	Very low	31.5	Very low	198 Å²	198	139.9 Å²	139.9	93%	0.925	84%	0.84	S	S	*	*			trans	-139.8	136.3	165.6	-75.1	-161.9	152.8	0	0	111.8
520	K	30.6	Very low	31.5	Very low	185 Å²	185	135.6 Å²	135.6	80%	0.804	83%	0.832	S	S	*	*			trans	-97	159.3	-168	-79	176.2	172.5	175.2	0	112.1
521	S	32	Very low	31.4	Very low	115 Å²	115	134 Å²	134	80%	0.804	83%	0.83	S	S	*	*			trans	84.6	137.5	150.8	79.9	0	0	0	0	116.1
522	S	35.1	Very low	31.3	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	83%	0.831	S	S	*	*			cis	-168.6	163.4	5	43.5	0	0	0	0	110.7
523	S	32.6	Very low	31.2	Very low	116 Å²	116	137.6 Å²	137.6	81%	0.811	83%	0.827	S	S	*	*			trans	75.6	100.4	164.6	71.8	0	0	0	0	117.4
524	A	32.2	Very low	31.3	Very low	91 Å²	91	137.4 Å²	137.4	75%	0.752	81%	0.813	S	S	*	*				93.9	98.5	68.2	0	0	0	0	0	112.9
525	T	33	Very low	31.9	Very low	151 Å²	151	135.6 Å²	135.6	93%	0.926	80%	0.799	S	S	*	*			trans	-173.6	133.9	133.5	20.6	0	0	0	0	110.5
526	N	27.3	Very low	31.8	Very low	158 Å²	158	137.9 Å²	137.9	85%	0.845	80%	0.796	S	S	*	*			trans	-62.4	149.8	-174.3	-69.5	-36.5	0	0	0	113.5
527	V	33.9	Very low	31.7	Very low	131 Å²	131	131.9 Å²	131.9	79%	0.794	78%	0.782	S	S	*	*				170.1	119.6	124.9	159.8	0	0	0	0	110.8
528	T	31.9	Very low	31.9	Very low	134 Å²	134	125.6 Å²	125.6	82%	0.822	76%	0.755	S	S	*	*			trans	57	104.1	164.1	32.3	0	0	0	0	121
529	S	27.1	Very low	32.4	Very low	126 Å²	126	119.9 Å²	119.9	88%	0.881	73%	0.728	S	S	*	*			trans	-66.9	132.4	158.5	45.6	0	0	0	0	113.4
530	G	29.3	Very low	32.9	Very low	63 Å²	63	117 Å²	117	65%	0.649	72%	0.719	S	S	*	*			trans	176.3	86.5	168.5	0	0	0	0	0	114.5
531	T	28.1	Very low	34.2	Very low	126 Å²	126	112.6 Å²	112.6	77%	0.773	71%	0.711	S	S	*	*			trans	55.8	93.3	153.9	22.4	0	0	0	0	119.1
532	T	30.1	Very low	36.2	Very low	147 Å²	147	107.6 Å²	107.6	90%	0.902	68%	0.677	S	S	*	*			trans	-125.6	33.9	158.9	-26.8	0	0	0	0	111.2
533	I	26.9	Very low	38.4	Very low	158 Å²	158	105.5 Å²	105.5	81%	0.81	66%	0.657	S	S	*	*	S	Bend	trans	-141.7	84.8	176.1	-54.6	176	0	0	0	107.1
534	S	33.2	Very low	40.5	Very low	72 Å²	72	101.6 Å²	101.6	50%	0.503	64%	0.636	S	S	.	*			trans	173.2	12	157.8	58.7	0	0	0	0	117.5	A538	S534-A538 WeakPolarHBondContact O-CB 3.47Å; S534-A538 PolarHBondContact O-N 3.26Å
535	Q	39.3	Very low	43	Very low	135 Å²	135	98.6 Å²	98.6	63%	0.631	61%	0.609	S	S	*	*	H	α-helix	trans	-73.8	-39.1	-179.3	-113.9	175.6	3.7	0	0	113.6	A538 A539	Q535-A538 PolarHBondContact O-N 3.33Å; Q535-A539 WeakPolarHBondContact O-CB 3.41Å; Q535-A539 PolarHBondContact O-N 2.9Å
536	E	33.8	Very low	45.5	Very low	172 Å²	172	96.9 Å²	96.9	80%	0.804	60%	0.601	S	S	*	*	H	α-helix	trans	-67.1	-35.2	172	-88	-179.3	140.2	0	0	112.8	A539 N540	E536-A539 WeakPolarHBondContact O-CB 3.38Å; E536-A539 PolarHBondContact O-N 3.38Å; E536-N540 PolarHBondContact O-N 3.07Å; E536-N540 VanDerWaalsContact O-N 3.11Å
537	A	29.8	Very low	48.4	Very low	67 Å²	67	92.5 Å²	92.5	55%	0.554	58%	0.577	S	S	*	*	H	α-helix	trans	-68.6	-36.3	176.3	0	0	0	0	0	111.6	S541	A537-S541 PolarHBondContact O-N 2.83Å
538	A	38.6	Very low	51.2	Low	45 Å²	45	86.3 Å²	86.3	37%	0.372	54%	0.54	S	S	.	.	H	α-helix	trans	-70.2	-34.8	171.7	0	0	0	0	0	112	S534 Q535 N540 S541 A542	S534-A538 WeakPolarHBondContact O-CB 3.47Å; S534-A538 PolarHBondContact O-N 3.26Å; Q535-A538 PolarHBondContact O-N 3.33Å; A538-N540 PolarHBondContact O-N 3.48Å; A538-S541 WeakPolarHBondContact CA-OG 3.31Å; A538-S541 WeakPolarHBondContact O-CB 3.18Å; A538-S541 PolarHBondContact O-N 3.46Å; A538-S541 PolarHBondContact O-OG 2.71Å; A538-A542 PolarHBondContact O-N 3.03Å
539	A	41.3	Very low	54	Low	24 Å²	24	80.7 Å²	80.7	20%	0.198	51%	0.505	C	S	.	.	H	α-helix	trans	-60.5	-44.9	176	0	0	0	0	0	112.2	Q535 E536 S541 A542	Q535-A539 WeakPolarHBondContact O-CB 3.41Å; Q535-A539 PolarHBondContact O-N 2.9Å; E536-A539 WeakPolarHBondContact O-CB 3.38Å; E536-A539 PolarHBondContact O-N 3.38Å; A539-S541 PolarHBondContact O-N 3.39Å; A539-A542 PolarHBondContact O-N 3.34Å
540	N	46	Very low	57.1	Low	138 Å²	138	80 Å²	80	74%	0.738	48%	0.484	S	S	*	.	H	α-helix	trans	-67.9	-22.2	174.9	-72.1	-15.8	0	0	0	113	E536 A538	E536-N540 PolarHBondContact O-N 3.07Å; E536-N540 VanDerWaalsContact O-N 3.11Å; A538-N540 PolarHBondContact O-N 3.48Å
541	S	57.1	Low	60	Low	92 Å²	92	79.5 Å²	79.5	64%	0.643	47%	0.466	S	S	*	.	H	α-helix	trans	-79.4	-18	176.5	79.1	0	0	0	0	114	A537 A538 A539	A537-S541 PolarHBondContact O-N 2.83Å; A538-S541 WeakPolarHBondContact CA-OG 3.31Å; A538-S541 WeakPolarHBondContact O-CB 3.18Å; A538-S541 PolarHBondContact O-N 3.46Å; A538-S541 PolarHBondContact O-OG 2.71Å; A539-S541 PolarHBondContact O-N 3.39Å
542	A	73.5	Confident	62.8	Low	10 Å²	10	81.1 Å²	81.1	8%	0.083	47%	0.47	C	S	.	.	H	α-helix	trans	-92.5	-19.6	-176.1	0	0	0	0	0	113.6	A538 A539 G544 S545	A538-A542 PolarHBondContact O-N 3.03Å; A539-A542 PolarHBondContact O-N 3.34Å; A542-G544 PolarHBondContact O-N 2.71Å; A542-S545 WeakPolarHBondContact O-CB 3.42Å; A542-S545 PolarHBondContact O-N 2.89Å; A542-S545 VanDerWaalsContact O-N 3.09Å; A542-S545 PolarHBondContact O-OG 2.9Å
543	L	81.6	Confident	65.6	Low	59 Å²	59	79 Å²	79	31%	0.309	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	126.7	179.1	-167.6	68.6	0	0	0	110.5	Y290 S545 Y550	Y290-L543 HydrophobicContact CD2-CD1 3.72Å; Y290-L543 HydrophobicContact CE2-CD1 3.49Å; Y290-L543 VanDerWaalsContact CE2-CD1 3.49Å; L543-S545 VanDerWaalsContact C-N 3.32Å; L543-Y550 HydrophobicContact CD2-CD1 4.34Å; L543-Y550 HydrophobicContact CD2-CE1 3.92Å; L543-Y550 HydrophobicContact CG-CD1 3.99Å; L543-Y550 HydrophobicContact CG-CE1 3.67Å; L543-Y550 PolarHBondContact O-OH 3.44Å
544	G	76	Confident	68.6	Low	35 Å²	35	72.4 Å²	72.4	36%	0.361	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	2.2	-172.2	0	0	0	0	0	114.2	A542 C548	A542-G544 PolarHBondContact O-N 2.71Å; G544-C548 PolarHBondContact N-O 2.97Å
545	S	85.5	Confident	71.3	Confident	28 Å²	28	72.1 Å²	72.1	20%	0.196	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-81.4	163.4	169.5	78.5	0	0	0	0	110.8	A542 L543 L547 C548	A542-S545 WeakPolarHBondContact O-CB 3.42Å; A542-S545 PolarHBondContact O-N 2.89Å; A542-S545 VanDerWaalsContact O-N 3.09Å; A542-S545 PolarHBondContact O-OG 2.9Å; L543-S545 VanDerWaalsContact C-N 3.32Å; S545-L547 PolarHBondContact O-N 2.84Å; S545-L547 VanDerWaalsContact O-N 3.08Å; S545-L547 PolarHBondContact OG-N 3.27Å; S545-C548 CarbonylContact O-C 3.5Å; S545-C548 PolarHBondContact O-N 2.94Å; S545-C548 PolarHBondContact OG-N 3.24Å
546	P	84.6	Confident	73.9	Confident	115 Å²	115	69 Å²	69	75%	0.747	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.4	172.1	23.7	-35.2	0	0	0	113.8
547	L	89.4	Confident	76.7	Confident	65 Å²	65	61.7 Å²	61.7	34%	0.34	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-26.5	176.2	-63.5	172	0	0	0	112.9	L286 R288 S545	L286-L547 HydrophobicContact CB-CD2 3.92Å; L286-L547 HydrophobicContact CD2-CD1 4.17Å; L286-L547 HydrophobicContact CD2-CD2 4.19Å; L286-L547 HydrophobicContact CG-CD2 4.24Å; L286-L547 VanDerWaalsContact O-CD2 3.28Å; L286-L547 WeakPolarHBondContact O-CD2 3.29Å; R288-L547 PolarHBondContact N-O 2.76Å; S545-L547 PolarHBondContact O-N 2.84Å; S545-L547 VanDerWaalsContact O-N 3.08Å; S545-L547 PolarHBondContact OG-N 3.27Å
548	C	92.4	Very high	79.7	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.014	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-145.4	81.8	176.4	-179.2	0	0	0	0	109.9	R288 S289 G544 S545	R288-C548 HydrophobicContact CB-CB 4.1Å; S289-C548 PolarHBondContact O-SG 3.23Å; G544-C548 PolarHBondContact N-O 2.97Å; S545-C548 CarbonylContact O-C 3.5Å; S545-C548 PolarHBondContact O-N 2.94Å; S545-C548 PolarHBondContact OG-N 3.24Å
549	P	91.3	Very high	82.5	Confident	16 Å²	16	65.9 Å²	65.9	10%	0.104	37%	0.372	C	S	.	.			trans	-59.1	152.9	176.4	-22.8	33.6	0	0	0	111.6	R328 D553 I554	R328-P549 PolarHBondContact NH1-O 2.86Å; P549-D553 HydrophobicContact CB-CB 4.08Å; P549-I554 HydrophobicContact CB-CG2 3.85Å; P549-I554 HydrophobicContact CG-CG2 4.07Å
550	Y	91.3	Very high	85	Confident	110 Å²	110	68.3 Å²	68.3	43%	0.431	38%	0.381	S	S	.	.			trans	-64.1	158.6	170.2	-65.7	-68.4	0	0	0	110.4	L543 N552 D553	L543-Y550 HydrophobicContact CD2-CD1 4.34Å; L543-Y550 HydrophobicContact CD2-CE1 3.92Å; L543-Y550 HydrophobicContact CG-CD1 3.99Å; L543-Y550 HydrophobicContact CG-CE1 3.67Å; L543-Y550 PolarHBondContact O-OH 3.44Å; Y550-N552 PolarHBondContact O-N 2.94Å; Y550-D553 WeakPolarHBondContact CB-OD2 3.47Å; Y550-D553 WeakPolarHBondContact CD2-OD2 3.37Å; Y550-D553 PolarHBondContact N-OD2 3.44Å; Y550-D553 VanDerWaalsContact N-OD2 3.1Å; Y550-D553 PolarHBondContact O-N 3.36Å
551	L	89.4	Confident	87.3	Confident	53 Å²	53	62.2 Å²	62.2	28%	0.277	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.7	178.7	-63.1	-179.9	0	0	0	112.9	Y290 L314 D553 M556	Y290-L551 HydrophobicContact CD1-CD1 4.37Å; Y290-L551 HydrophobicContact CD1-CD2 4.43Å; Y290-L551 HydrophobicContact CD1-CG 4.46Å; Y290-L551 HydrophobicContact CD2-CD2 3.89Å; Y290-L551 HydrophobicContact CD2-CG 4.05Å; Y290-L551 HydrophobicContact CE1-CD1 3.96Å; Y290-L551 HydrophobicContact CE1-CG 4.17Å; Y290-L551 HydrophobicContact CE2-CD1 4.35Å; Y290-L551 HydrophobicContact CE2-CD2 4.05Å; Y290-L551 HydrophobicContact CE2-CG 3.67Å; Y290-L551 HydrophobicContact CG-CD2 4.11Å; Y290-L551 HydrophobicContact CG-CG 4.44Å; L314-L551 HydrophobicContact CD1-CD2 4.13Å; L551-D553 VanDerWaalsContact C-N 3.33Å; L551-M556 HydrophobicContact CD2-CE 4.02Å
552	N	87.9	Confident	89.2	Confident	160 Å²	160	60 Å²	60	86%	0.856	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-13	178.8	-63.1	-19.1	0	0	0	113.3	Y550	Y550-N552 PolarHBondContact O-N 2.94Å
553	D	88.2	Confident	90.2	Very high	104 Å²	104	62.4 Å²	62.4	56%	0.556	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-14.1	-175.7	-60.9	-26.6	0	0	0	112.8	P549 Y550 L551	P549-D553 HydrophobicContact CB-CB 4.08Å; Y550-D553 WeakPolarHBondContact CB-OD2 3.47Å; Y550-D553 WeakPolarHBondContact CD2-OD2 3.37Å; Y550-D553 PolarHBondContact N-OD2 3.44Å; Y550-D553 VanDerWaalsContact N-OD2 3.1Å; Y550-D553 PolarHBondContact O-N 3.36Å; L551-D553 VanDerWaalsContact C-N 3.33Å
554	I	89.7	Confident	91	Very high	18 Å²	18	61.7 Å²	61.7	9%	0.092	34%	0.336	C	S	.	.	S	Bend	trans	-128.9	148	-178.5	58.9	170	0	0	0	110.6	T325 R328 P549 M556	T325-I554 HydrophobicContact CG2-CD1 3.77Å; R328-I554 HydrophobicContact CB-CD1 4.05Å; R328-I554 HydrophobicContact CG-CD1 3.52Å; P549-I554 HydrophobicContact CB-CG2 3.85Å; P549-I554 HydrophobicContact CG-CG2 4.07Å; I554-M556 PolarHBondContact O-N 3.13Å
555	P	91.6	Very high	91.9	Very high	66 Å²	66	60.6 Å²	60.6	43%	0.429	32%	0.322	S	S	.	.			trans	-51.5	137	171.8	-27.8	31.8	0	0	0	113.2	V326 C327 R328	V326-P555 WeakPolarHBondContact O-CD 3.45Å; C327-P555 VanDerWaalsContact CA-O 3.3Å; C327-P555 WeakPolarHBondContact CA-O 3.38Å; C327-P555 HydrophobicContact CB-CB 4.01Å; C327-P555 VanDerWaalsContact CB-O 3.28Å; C327-P555 WeakPolarHBondContact CB-O 3.44Å; R328-P555 PolarHBondContact N-O 2.8Å
556	M	92.7	Very high	92.3	Very high	71 Å²	71	59.7 Å²	59.7	35%	0.35	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.1	171.1	-173	64.7	68.7	0	0	109.5	R328 Q330 L551 I554	R328-M556 HydrophobicContact CB-CE 4.15Å; R328-M556 HydrophobicContact CB-SD 4.11Å; R328-M556 CarbonylContact O-C 3.57Å; R328-M556 VanDerWaalsContact O-CA 3.22Å; R328-M556 WeakPolarHBondContact O-CA 3.5Å; Q330-M556 HydrophobicContact CB-CG 4.43Å; Q330-M556 HydrophobicContact CB-SD 3.81Å; L551-M556 HydrophobicContact CD2-CE 4.02Å; I554-M556 PolarHBondContact O-N 3.13Å
557	I	93.4	Very high	92.7	Very high	18 Å²	18	60.9 Å²	60.9	9%	0.092	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	149.3	178.2	65.9	175.5	0	0	0	110.8	C327 R328 G329 Q330 F410 W422 L424	C327-I557 HydrophobicContact CB-CG2 4.22Å; R328-I557 WeakPolarHBondContact O-CG1 3.49Å; R328-I557 PolarHBondContact O-N 2.64Å; G329-I557 WeakPolarHBondContact CA-O 3.48Å; Q330-I557 PolarHBondContact N-O 3.32Å; F410-I557 HydrophobicContact CE1-CD1 4.15Å; F410-I557 HydrophobicContact CZ-CD1 3.96Å; W422-I557 HydrophobicContact CB-CD1 4.39Å; W422-I557 HydrophobicContact CD2-CD1 4.35Å; W422-I557 HydrophobicContact CE3-CD1 3.73Å; W422-I557 HydrophobicContact CE3-CG1 3.79Å; W422-I557 HydrophobicContact CZ3-CD1 4.42Å; W422-I557 HydrophobicContact CZ3-CG1 4.06Å; L424-I557 HydrophobicContact CD2-CD1 3.69Å; L424-I557 HydrophobicContact CD2-CG2 4.3Å
558	Q	93.4	Very high	92.8	Very high	166 Å²	166	61 Å²	61	78%	0.776	31%	0.31	S	S	*	.			trans	-105.8	146.8	173.3	-67.8	-173.6	-29.4	0	0	110.2
559	P	95.7	Very high	92.9	Very high	33 Å²	33	65 Å²	65	21%	0.214	33%	0.325	C	S	.	.			trans	-70.1	135.7	177.3	29.9	-35.3	0	0	0	110.7	Q330 C420 L421 W422 I561	Q330-P559 WeakPolarHBondContact O-CD 3.18Å; C420-P559 HydrophobicContact CB-CB 4.05Å; L421-P559 CarbonylContact O-C 3.57Å; L421-P559 WeakPolarHBondContact O-CA 3.4Å; W422-P559 HydrophobicContact CD2-CB 4.22Å; W422-P559 HydrophobicContact CE3-CB 3.98Å; W422-P559 HydrophobicContact CH2-CB 4.01Å; W422-P559 HydrophobicContact CH2-CG 4.27Å; W422-P559 HydrophobicContact CZ2-CB 4.22Å; W422-P559 HydrophobicContact CZ3-CB 3.87Å; W422-P559 HydrophobicContact CZ3-CG 4.23Å; P559-I561 VanDerWaalsContact C-N 3.29Å; P559-I561 WeakPolarHBondContact CB-O 3.46Å; P559-I561 PolarHBondContact O-N 2.83Å
560	L	93.7	Very high	93.2	Very high	75 Å²	75	64.4 Å²	64.4	39%	0.393	32%	0.32	S	S	.	.	S	Bend	trans	-58.7	-42.7	171.8	177.8	65.8	0	0	0	111.1	T30 L421	T30-L560 HydrophobicContact CG2-CD2 3.81Å; T30-L560 HydrophobicContact CG2-CG 4.46Å; L421-L560 WeakPolarHBondContact O-CB 3.37Å; L421-L560 PolarHBondContact O-N 3.45Å
561	I	95.4	Very high	93.4	Very high	11 Å²	11	60 Å²	60	6%	0.056	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.8	170.8	64.9	113.4	0	0	0	109.2	F28 T30 L419 C420 L421 P559 K563	F28-I561 HydrophobicContact CD1-CD1 4.43Å; F28-I561 HydrophobicContact CD2-CD1 3.99Å; F28-I561 HydrophobicContact CD2-CG1 4.32Å; F28-I561 HydrophobicContact CE2-CD1 4.24Å; F28-I561 HydrophobicContact CG-CD1 4.09Å; T30-I561 HydrophobicContact CG2-CG2 4.05Å; L419-I561 HydrophobicContact CD2-CD1 4.21Å; L419-I561 HydrophobicContact CG-CD1 4.09Å; C420-I561 WeakPolarHBondContact CA-O 3.34Å; L421-I561 HydrophobicContact CB-CG1 3.73Å; L421-I561 HydrophobicContact CD1-CD1 4.31Å; L421-I561 HydrophobicContact CD1-CG1 3.89Å; L421-I561 HydrophobicContact CG-CD1 4.03Å; L421-I561 HydrophobicContact CG-CG1 3.67Å; L421-I561 PolarHBondContact N-O 2.94Å; P559-I561 VanDerWaalsContact C-N 3.29Å; P559-I561 WeakPolarHBondContact CB-O 3.46Å; P559-I561 PolarHBondContact O-N 2.83Å; I561-K563 HydrophobicContact CB-CG 4.38Å; I561-K563 HydrophobicContact CD1-CB 4.44Å; I561-K563 HydrophobicContact CD1-CG 4.01Å
562	S	95.5	Very high	93.8	Very high	44 Å²	44	57.7 Å²	57.7	31%	0.308	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	106.6	167.4	178.9	0	0	0	0	107.4	L419 C420	L419-S562 WeakPolarHBondContact O-CA 3.38Å; C420-S562 PolarHBondContact SG-OG 3.24Å
563	K	96.5	Very high	94.3	Very high	61 Å²	61	50.4 Å²	50.4	27%	0.265	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.6	-170.3	-59.3	-64.8	175	-164.8	0	110.9	K25 F28 L418 L419 I561 I565	K25-K563 HydrophobicContact CB-CB 4.47Å; K25-K563 HydrophobicContact CG-CB 4.36Å; K25-K563 HydrophobicContact CG-CD 4.26Å; F28-K563 HydrophobicContact CB-CG 4.12Å; L418-K563 CarbonylContact C-O 3.57Å; L418-K563 WeakPolarHBondContact CA-O 3.17Å; L419-K563 PolarHBondContact N-O 2.91Å; L419-K563 PolarHBondContact O-N 3.41Å; I561-K563 HydrophobicContact CB-CG 4.38Å; I561-K563 HydrophobicContact CD1-CB 4.44Å; I561-K563 HydrophobicContact CD1-CG 4.01Å; K563-I565 HydrophobicContact CB-CG2 4.32Å; K563-I565 PolarHBondContact O-N 2.85Å
564	K	96.8	Very high	94.7	Very high	44 Å²	44	47.4 Å²	47.4	19%	0.191	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	118.6	169.5	-173.7	179.2	178.6	73	0	109.9	E22 K25 T417 L418	E22-K564 HydrophobicContact CB-CD 3.66Å; E22-K564 WeakPolarHBondContact O-CD 3.47Å; K25-K564 PolarHBondContact N-O 3.23Å; T417-K564 WeakPolarHBondContact O-CA 3.39Å; T417-K564 WeakPolarHBondContact OG1-CG 3.24Å; T417-K564 PolarHBondContact OG1-NZ 3.49Å; L418-K564 HydrophobicContact CD2-CB 3.84Å
565	I	96.3	Very high	95.1	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.067	24%	0.237	C	C	.	.			trans	-121.2	-6.8	-174.7	63.7	157.4	0	0	0	114.6	I24 T417 L419 K563 L570 T582 W592	I24-I565 WeakPolarHBondContact CG2-O 3.33Å; T417-I565 PolarHBondContact O-N 3Å; L419-I565 HydrophobicContact CB-CD1 3.8Å; L419-I565 HydrophobicContact CB-CG1 4.06Å; L419-I565 HydrophobicContact CB-CG2 4.12Å; L419-I565 HydrophobicContact CD2-CD1 4.38Å; K563-I565 HydrophobicContact CB-CG2 4.32Å; K563-I565 PolarHBondContact O-N 2.85Å; I565-L570 HydrophobicContact CD1-CD1 3.8Å; I565-L570 HydrophobicContact CD1-CD2 3.91Å; I565-L570 HydrophobicContact CG1-CD1 3.59Å; I565-L570 HydrophobicContact CG1-CD2 4.07Å; I565-L570 HydrophobicContact CG1-CG 4.41Å; I565-T582 HydrophobicContact CD1-CG2 3.78Å; I565-W592 HydrophobicContact CB-CH2 3.86Å; I565-W592 HydrophobicContact CB-CZ2 3.66Å; I565-W592 HydrophobicContact CD1-CZ2 4Å; I565-W592 HydrophobicContact CG1-CZ2 4.45Å; I565-W592 HydrophobicContact CG2-CH2 3.49Å; I565-W592 VanDerWaalsContact CG2-CH2 3.49Å; I565-W592 HydrophobicContact CG2-CZ2 3.7Å; I565-W592 HydrophobicContact CG2-CZ3 4.42Å
566	A	94	Very high	95.2	Very high	9 Å²	9	45.6 Å²	45.6	7%	0.074	22%	0.222	C	C	.	.			trans	-142.5	162	-179	0	0	0	0	0	112.4	I24 T417 E568 L570 C584	I24-A566 VanDerWaalsContact CD1-C 3.41Å; T417-A566 WeakPolarHBondContact CB-O 3.42Å; T417-A566 PolarHBondContact OG1-O 2.95Å; A566-E568 WeakPolarHBondContact CB-O 3.28Å; A566-L570 HydrophobicContact CB-CD2 3.78Å; A566-L570 HydrophobicContact CB-CG 4.22Å; A566-C584 HydrophobicContact CB-CB 3.84Å
567	H	91.6	Very high	95.2	Very high	139 Å²	139	48.3 Å²	48.3	64%	0.644	23%	0.234	S	C	*	.	S	Bend	trans	-79.7	-35.6	172.9	-72.2	-68.1	0	0	0	111.9	I24	I24-H567 HydrophobicContact CD1-CB 4.33Å; I24-H567 WeakPolarHBondContact CD1-CD2 3.43Å; I24-H567 WeakPolarHBondContact CD1-CE1 3.4Å; I24-H567 VanDerWaalsContact CD1-CG 3.48Å; I24-H567 WeakPolarHBondContact CD1-ND1 3.45Å; I24-H567 VanDerWaalsContact CD1-NE2 3.27Å; I24-H567 WeakPolarHBondContact CD1-NE2 3.16Å
568	E	92.6	Very high	95.1	Very high	67 Å²	67	49 Å²	49	31%	0.313	24%	0.238	S	C	.	.	S	Bend	trans	-114.3	167.3	-179.1	-79.9	-65.8	158.1	0	0	112	T417 A566 L570 Q585 E586	T417-E568 VanDerWaalsContact CG2-C 3.43Å; T417-E568 VanDerWaalsContact CG2-O 3.27Å; T417-E568 WeakPolarHBondContact CG2-O 3.42Å; A566-E568 WeakPolarHBondContact CB-O 3.28Å; E568-L570 PolarHBondContact O-N 2.84Å; E568-Q585 HydrophobicContact CB-CB 4.28Å; E568-E586 HydrophobicContact CB-CG 3.8Å; E568-E586 HydrophobicContact CG-CG 3.51Å
569	R	94.1	Very high	95.2	Very high	87 Å²	87	41 Å²	41	33%	0.328	20%	0.201	S	C	.	.			trans	-50.2	136.2	179.5	66	-179.2	-173.8	-170.3	0.2	111.8	H415 C584 Q585	H415-R569 HydrophobicContact CB-CB 4.36Å; R569-C584 WeakPolarHBondContact O-CA 3.28Å; R569-Q585 HydrophobicContact CG-CB 3.69Å; R569-Q585 HydrophobicContact CG-CG 4.27Å; R569-Q585 PolarHBondContact O-N 3.44Å
570	L	96.8	Very high	95.3	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	146.1	175.4	-69.7	163.5	0	0	0	109.7	S337 V413 G414 L418 I565 A566 E568 A583 C584	S337-L570 VanDerWaalsContact CB-O 3.3Å; S337-L570 WeakPolarHBondContact CB-O 3.48Å; S337-L570 PolarHBondContact OG-O 2.81Å; V413-L570 HydrophobicContact CB-CB 3.66Å; V413-L570 HydrophobicContact CB-CD1 3.78Å; V413-L570 HydrophobicContact CB-CG 4.33Å; V413-L570 HydrophobicContact CG1-CB 4.34Å; V413-L570 HydrophobicContact CG1-CD1 3.81Å; V413-L570 HydrophobicContact CG2-CB 3.99Å; G414-L570 PolarHBondContact O-N 3.19Å; L418-L570 WeakPolarHBondContact O-CD1 3.28Å; I565-L570 HydrophobicContact CD1-CD1 3.8Å; I565-L570 HydrophobicContact CD1-CD2 3.91Å; I565-L570 HydrophobicContact CG1-CD1 3.59Å; I565-L570 HydrophobicContact CG1-CD2 4.07Å; I565-L570 HydrophobicContact CG1-CG 4.41Å; A566-L570 HydrophobicContact CB-CD2 3.78Å; A566-L570 HydrophobicContact CB-CG 4.22Å; E568-L570 PolarHBondContact O-N 2.84Å; L570-A583 WeakPolarHBondContact CA-O 3.22Å; L570-C584 HydrophobicContact CD2-CB 4.29Å
571	S	96	Very high	95.5	Very high	17 Å²	17	35.9 Å²	35.9	12%	0.119	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	-11.6	179	58.5	0	0	0	0	114	V65 A583	V65-S571 WeakPolarHBondContact O-CB 3.42Å; V65-S571 PolarHBondContact O-OG 3.11Å; S571-A583 PolarHBondContact N-O 2.9Å
572	V	97.9	Very high	95.7	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.036	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.2	-176.6	179.9	0	0	0	0	110.4	V65 V67 I574 T582 A583	V65-V572 VanDerWaalsContact O-CG2 3.27Å; V65-V572 WeakPolarHBondContact O-CG2 3.5Å; V67-V572 HydrophobicContact CB-CG1 4.07Å; V67-V572 HydrophobicContact CB-CG2 4.4Å; V67-V572 HydrophobicContact CG2-CG1 4.2Å; V67-V572 HydrophobicContact CG2-CG2 4.08Å; V572-I574 HydrophobicContact CG1-CD1 3.71Å; V572-I574 HydrophobicContact CG1-CG1 3.77Å; V572-T582 VanDerWaalsContact O-CA 3.29Å; V572-T582 WeakPolarHBondContact O-CA 3.25Å; V572-A583 HydrophobicContact CB-CB 3.79Å; V572-A583 HydrophobicContact CG2-CB 3.94Å; V572-A583 PolarHBondContact N-O 2.93Å; V572-A583 PolarHBondContact O-N 3.1Å
573	I	98.2	Very high	95.7	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	125.7	161.1	-174.4	176.6	0	0	0	107.5	K338 A340 V413 L419 F575 I580 V581	K338-I573 HydrophobicContact CB-CG2 3.98Å; K338-I573 HydrophobicContact CG-CG2 3.94Å; A340-I573 HydrophobicContact CB-CG2 3.99Å; V413-I573 HydrophobicContact CG1-CB 4Å; V413-I573 HydrophobicContact CG1-CD1 4.27Å; V413-I573 HydrophobicContact CG2-CB 4.09Å; V413-I573 HydrophobicContact CG2-CG2 4.05Å; L419-I573 HydrophobicContact CD1-CD1 3.57Å; L419-I573 HydrophobicContact CD1-CG1 4.5Å; I573-F575 HydrophobicContact CD1-CE2 3.86Å; I573-F575 HydrophobicContact CD1-CZ 3.78Å; I573-F575 HydrophobicContact CG1-CE2 4.13Å; I573-F575 HydrophobicContact CG1-CZ 4.32Å; I573-I580 HydrophobicContact CG1-CG2 4.25Å; I573-V581 CarbonylContact C-O 3.57Å; I573-V581 WeakPolarHBondContact CA-O 3.32Å
574	I	97.8	Very high	95.6	Very high	41 Å²	41	31 Å²	31	21%	0.21	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	129	178.6	-63.1	170.8	0	0	0	107.7	V67 F69 V572 R576 V581	V67-I574 HydrophobicContact CB-CD1 4.14Å; V67-I574 HydrophobicContact CG1-CD1 4.19Å; F69-I574 HydrophobicContact CD2-CD1 3.97Å; F69-I574 HydrophobicContact CD2-CG2 4.25Å; F69-I574 HydrophobicContact CE2-CD1 3.76Å; F69-I574 HydrophobicContact CE2-CG2 4.19Å; V572-I574 HydrophobicContact CG1-CD1 3.71Å; V572-I574 HydrophobicContact CG1-CG1 3.77Å; I574-R576 HydrophobicContact CG2-CG 4.41Å; I574-V581 HydrophobicContact CB-CB 4.36Å; I574-V581 PolarHBondContact N-O 3.48Å; I574-V581 PolarHBondContact O-N 3.2Å
575	F	96.8	Very high	95.5	Very high	16 Å²	16	29.3 Å²	29.3	7%	0.07	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.8	174	-66.8	-82	0	0	0	109.7	A340 F341 D342 L421 I573 I580	A340-F575 HydrophobicContact CB-CD2 3.86Å; A340-F575 HydrophobicContact CB-CE2 3.86Å; A340-F575 VanDerWaalsContact O-CE2 3.25Å; A340-F575 WeakPolarHBondContact O-CE2 3.38Å; F341-F575 VanDerWaalsContact O-CD2 3.25Å; F341-F575 WeakPolarHBondContact O-CD2 3.5Å; D342-F575 HydrophobicContact CB-CB 4.31Å; D342-F575 HydrophobicContact CB-CD1 3.54Å; D342-F575 HydrophobicContact CB-CD2 3.99Å; D342-F575 HydrophobicContact CB-CE1 3.75Å; D342-F575 HydrophobicContact CB-CE2 4.19Å; D342-F575 HydrophobicContact CB-CG 3.67Å; D342-F575 HydrophobicContact CB-CZ 4.07Å; D342-F575 VanDerWaalsContact CG-CD1 3.4Å; L421-F575 HydrophobicContact CD2-CE1 4.14Å; L421-F575 HydrophobicContact CD2-CZ 3.89Å; I573-F575 HydrophobicContact CD1-CE2 3.86Å; I573-F575 HydrophobicContact CD1-CZ 3.78Å; I573-F575 HydrophobicContact CG1-CE2 4.13Å; I573-F575 HydrophobicContact CG1-CZ 4.32Å; F575-I580 HydrophobicContact CD1-CD1 4.06Å; F575-I580 HydrophobicContact CD1-CG1 3.75Å; F575-I580 HydrophobicContact CD1-CG2 4.37Å; F575-I580 HydrophobicContact CE1-CD1 3.63Å; F575-I580 HydrophobicContact CE1-CG1 3.85Å; F575-I580 HydrophobicContact CE1-CG2 4.25Å
576	R	94.4	Very high	95.2	Very high	31 Å²	31	30.2 Å²	30.2	12%	0.117	14%	0.143	C	C	.	.			trans	-121	168.6	174	-54.3	-70.3	-79.6	176.2	-16.7	108.8	E90 Y344 I574 S579 V581 R594	E90-R576 IonicContact OE1-CZ 2.99Å; E90-R576 IonicContact OE1-NH1 3.64Å; E90-R576 IonicContact OE1-NH2 2.83Å; E90-R576 PolarHBondContact OE1-NH2 3.34Å; E90-R576 IonicContact OE2-CZ 2.83Å; E90-R576 IonicContact OE2-NE 2.74Å; E90-R576 IonicContact OE2-NH2 3.81Å; E90-R576 PolarHBondContact OE2-NH2 2.9Å; Y344-R576 VanDerWaalsContact CD2-O 3.24Å; Y344-R576 WeakPolarHBondContact CD2-O 3.37Å; Y344-R576 WeakPolarHBondContact CE2-O 3.4Å; I574-R576 HydrophobicContact CG2-CG 4.41Å; R576-S579 CarbonylContact C-O 3.59Å; R576-S579 WeakPolarHBondContact CA-O 3.29Å; R576-S579 WeakPolarHBondContact CB-O 3.46Å; R576-S579 PolarHBondContact N-O 2.84Å; R576-V581 HydrophobicContact CG-CG2 4.17Å; R576-R594 PolarHBondContact O-NE 3.37Å; R576-R594 PolarHBondContact O-NH2 2.93Å
577	E	91.7	Very high	95.2	Very high	127 Å²	127	29.9 Å²	29.9	59%	0.593	14%	0.14	S	C	*	.	S	Bend	trans	-60.9	-46.5	-178.8	-172.5	-176.5	170.6	0	0	111.5	Y344 R594	Y344-E577 HydrophobicContact CD1-CB 4.07Å; Y344-E577 HydrophobicContact CD1-CG 4.14Å; Y344-E577 VanDerWaalsContact CE1-CA 3.46Å; Y344-E577 HydrophobicContact CE1-CB 3.57Å; Y344-E577 HydrophobicContact CE1-CG 3.95Å; Y344-E577 VanDerWaalsContact CE2-N 3.33Å; Y344-E577 PolarHBondContact OH-N 2.81Å; E577-R594 WeakPolarHBondContact O-CD 3.32Å; E577-R594 PolarHBondContact O-NE 3.02Å
578	D	92.7	Very high	95.3	Very high	32 Å²	32	25 Å²	25	17%	0.171	12%	0.117	C	C	.	.	S	Bend	trans	-93.3	-15.6	-176.2	70	-16.4	0	0	0	113.9	G107 V108 R594 H597	G107-D578 WeakPolarHBondContact CA-OD2 3.27Å; V108-D578 HydrophobicContact CG1-CB 4.28Å; V108-D578 PolarHBondContact N-OD2 3.05Å; D578-R594 WeakPolarHBondContact O-CB 3.35Å; D578-R594 PolarHBondContact O-N 2.91Å; D578-H597 HydrophobicContact CB-CB 4.28Å
579	S	95.1	Very high	95.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	164.9	-164.5	61	0	0	0	0	115.1	Y105 R576 W592	Y105-S579 PolarHBondContact OH-OG 2.94Å; R576-S579 CarbonylContact C-O 3.59Å; R576-S579 WeakPolarHBondContact CA-O 3.29Å; R576-S579 WeakPolarHBondContact CB-O 3.46Å; R576-S579 PolarHBondContact N-O 2.84Å; S579-W592 CarbonylContact C-O 3.49Å; S579-W592 WeakPolarHBondContact CA-O 3.34Å; S579-W592 VanDerWaalsContact CB-O 3.26Å; S579-W592 WeakPolarHBondContact CB-O 3.48Å
580	I	97.4	Very high	95.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.6	162.7	-54.9	175.2	0	0	0	107	F28 Y35 I573 F575 T582 W592	F28-I580 HydrophobicContact CZ-CD1 4.27Å; Y35-I580 HydrophobicContact CD1-CD1 3.71Å; Y35-I580 HydrophobicContact CD1-CG1 4.26Å; Y35-I580 HydrophobicContact CE1-CD1 3.44Å; Y35-I580 VanDerWaalsContact CE1-CD1 3.44Å; Y35-I580 HydrophobicContact CE1-CG1 3.97Å; I573-I580 HydrophobicContact CG1-CG2 4.25Å; F575-I580 HydrophobicContact CD1-CD1 4.06Å; F575-I580 HydrophobicContact CD1-CG1 3.75Å; F575-I580 HydrophobicContact CD1-CG2 4.37Å; F575-I580 HydrophobicContact CE1-CD1 3.63Å; F575-I580 HydrophobicContact CE1-CG1 3.85Å; F575-I580 HydrophobicContact CE1-CG2 4.25Å; I580-T582 HydrophobicContact CG2-CG2 4.28Å; I580-W592 HydrophobicContact CB-CB 4.15Å; I580-W592 PolarHBondContact N-O 3.07Å; I580-W592 WeakPolarHBondContact O-CB 3.25Å; I580-W592 VanDerWaalsContact O-CD1 3.24Å; I580-W592 PolarHBondContact O-N 3.37Å
581	V	98.2	Very high	95.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129	176.6	179.7	0	0	0	0	109.4	F69 Y105 I573 I574 R576 I589 C590	F69-V581 HydrophobicContact CE2-CG1 4.39Å; F69-V581 HydrophobicContact CE2-CG2 4.42Å; F69-V581 HydrophobicContact CZ-CB 4.46Å; F69-V581 HydrophobicContact CZ-CG1 4.19Å; F69-V581 HydrophobicContact CZ-CG2 4.05Å; Y105-V581 VanDerWaalsContact OH-CG2 3.32Å; Y105-V581 WeakPolarHBondContact OH-CG2 3.41Å; I573-V581 CarbonylContact C-O 3.57Å; I573-V581 WeakPolarHBondContact CA-O 3.32Å; I574-V581 HydrophobicContact CB-CB 4.36Å; I574-V581 PolarHBondContact N-O 3.48Å; I574-V581 PolarHBondContact O-N 3.2Å; R576-V581 HydrophobicContact CG-CG2 4.17Å; V581-I589 HydrophobicContact CG1-CG2 3.56Å; V581-C590 WeakPolarHBondContact CA-O 3.35Å
582	T	98.4	Very high	95.8	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.025	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.6	177.5	62.6	0	0	0	0	110.7	I565 V572 I580 C590 W592	I565-T582 HydrophobicContact CD1-CG2 3.78Å; V572-T582 VanDerWaalsContact O-CA 3.29Å; V572-T582 WeakPolarHBondContact O-CA 3.25Å; I580-T582 HydrophobicContact CG2-CG2 4.28Å; T582-C590 PolarHBondContact N-O 3.39Å; T582-C590 PolarHBondContact O-N 2.96Å; T582-W592 PolarHBondContact OG1-NE1 3.04Å
583	A	97.4	Very high	95.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.008	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.9	173	0	0	0	0	0	112.3	V65 V67 L570 S571 V572 F588 I589	V65-A583 HydrophobicContact CG1-CB 4.06Å; V67-A583 HydrophobicContact CG2-CB 4.22Å; L570-A583 WeakPolarHBondContact CA-O 3.22Å; S571-A583 PolarHBondContact N-O 2.9Å; V572-A583 HydrophobicContact CB-CB 3.79Å; V572-A583 HydrophobicContact CG2-CB 3.94Å; V572-A583 PolarHBondContact N-O 2.93Å; V572-A583 PolarHBondContact O-N 3.1Å; A583-F588 VanDerWaalsContact CA-O 3.28Å; A583-F588 WeakPolarHBondContact CA-O 3.45Å; A583-I589 HydrophobicContact CB-CG1 4.09Å
584	C	94.5	Very high	95.6	Very high	8 Å²	8	17.7 Å²	17.7	5%	0.054	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	165.7	175	68.1	0	0	0	0	111.8	V65 A566 R569 L570 E586 G587 F588	V65-C584 WeakPolarHBondContact CG2-O 3.07Å; A566-C584 HydrophobicContact CB-CB 3.84Å; R569-C584 WeakPolarHBondContact O-CA 3.28Å; L570-C584 HydrophobicContact CD2-CB 4.29Å; C584-E586 PolarHBondContact O-N 3.19Å; C584-E586 VanDerWaalsContact O-N 3.09Å; C584-G587 PolarHBondContact O-N 2.92Å; C584-F588 PolarHBondContact N-O 2.6Å
585	Q	92.7	Very high	95.3	Very high	9 Å²	9	17.2 Å²	17.2	4%	0.042	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.3	179.9	-172.6	60.9	70.4	0	0	114.5	S62 A63 E568 R569 G587	S62-Q585 PolarHBondContact OG-NE2 3.18Å; A63-Q585 PolarHBondContact O-NE2 3.48Å; E568-Q585 HydrophobicContact CB-CB 4.28Å; R569-Q585 HydrophobicContact CG-CB 3.69Å; R569-Q585 HydrophobicContact CG-CG 4.27Å; R569-Q585 PolarHBondContact O-N 3.44Å; Q585-G587 PolarHBondContact O-N 3.1Å
586	E	91	Very high	94.9	Very high	32 Å²	32	18.7 Å²	18.7	15%	0.15	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.2	176.7	-63.8	176.4	123.7	0	0	113.1	P50 L51 E568 C584 F588	P50-E586 HydrophobicContact CB-CB 4.11Å; P50-E586 HydrophobicContact CB-CG 4.19Å; L51-E586 WeakPolarHBondContact CB-O 3.36Å; L51-E586 PolarHBondContact N-O 2.88Å; E568-E586 HydrophobicContact CB-CG 3.8Å; E568-E586 HydrophobicContact CG-CG 3.51Å; C584-E586 PolarHBondContact O-N 3.19Å; C584-E586 VanDerWaalsContact O-N 3.09Å; E586-F588 HydrophobicContact CB-CD2 3.74Å; E586-F588 HydrophobicContact CB-CE2 3.87Å
587	G	93.2	Very high	94.4	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.021	11%	0.114	C	C	.	.	S	Bend	trans	91.4	23.8	-178.4	0	0	0	0	0	114.6	S44 C584 Q585	S44-G587 WeakPolarHBondContact CA-O 3.47Å; S44-G587 WeakPolarHBondContact CB-O 3.35Å; C584-G587 PolarHBondContact O-N 2.92Å; Q585-G587 PolarHBondContact O-N 3.1Å
588	F	95.1	Very high	93.7	Very high	35 Å²	35	16 Å²	16	15%	0.154	10%	0.097	C	C	.	.			trans	-93.5	125.8	167.7	-61.2	-70.4	0	0	0	109.9	P50 A583 C584 E586	P50-F588 HydrophobicContact CB-CE2 4.17Å; P50-F588 HydrophobicContact CG-CE2 3.95Å; P50-F588 HydrophobicContact CG-CZ 3.99Å; A583-F588 VanDerWaalsContact CA-O 3.28Å; A583-F588 WeakPolarHBondContact CA-O 3.45Å; C584-F588 PolarHBondContact N-O 2.6Å; E586-F588 HydrophobicContact CB-CD2 3.74Å; E586-F588 HydrophobicContact CB-CE2 3.87Å
589	I	97.4	Very high	92.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	108.7	175.4	-57.6	86	0	0	0	106.9	E42 Y43 V67 I92 F94 V581 A583	E42-I589 WeakPolarHBondContact CA-O 3.41Å; Y43-I589 PolarHBondContact N-O 3.32Å; Y43-I589 VanDerWaalsContact O-CD1 3.28Å; Y43-I589 WeakPolarHBondContact O-CD1 3.32Å; Y43-I589 PolarHBondContact O-N 2.87Å; V67-I589 HydrophobicContact CG2-CG1 3.85Å; V67-I589 HydrophobicContact CG2-CG2 4.32Å; I92-I589 HydrophobicContact CD1-CG2 4.11Å; F94-I589 HydrophobicContact CB-CD1 4.22Å; F94-I589 HydrophobicContact CB-CG1 4.47Å; F94-I589 HydrophobicContact CD1-CD1 4.01Å; F94-I589 HydrophobicContact CD2-CD1 3.57Å; F94-I589 HydrophobicContact CE1-CD1 4.22Å; F94-I589 HydrophobicContact CE2-CD1 3.82Å; F94-I589 HydrophobicContact CG-CD1 3.67Å; F94-I589 HydrophobicContact CG-CG1 4.34Å; F94-I589 HydrophobicContact CZ-CD1 4.13Å; V581-I589 HydrophobicContact CG1-CG2 3.56Å; A583-I589 HydrophobicContact CB-CG1 4.09Å
590	C	97.3	Very high	90.1	Very high	22 Å²	22	21 Å²	21	15%	0.149	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.6	-174.3	-60.6	0	0	0	0	110.8	L37 V581 T582	L37-C590 HydrophobicContact CD1-CB 3.69Å; V581-C590 WeakPolarHBondContact CA-O 3.35Å; T582-C590 PolarHBondContact N-O 3.39Å; T582-C590 PolarHBondContact O-N 2.96Å
591	T	97.5	Very high	87.7	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.7	175.5	-56.7	0	0	0	0	109.7	M38 S41 Y105	M38-T591 WeakPolarHBondContact CB-O 3.43Å; M38-T591 PolarHBondContact N-O 2.93Å; S41-T591 PolarHBondContact O-OG1 3.03Å; Y105-T591 WeakPolarHBondContact OH-CG2 3.33Å; Y105-T591 PolarHBondContact OH-OG1 3.48Å
592	W	97.3	Very high	85.1	Confident	1 Å²	1	29.2 Å²	29.2	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.6	179.1	-57.6	78	0	0	0	108.9	K25 F28 K36 L37 I565 S579 I580 T582 R594	K25-W592 VanDerWaalsContact O-CH2 3.28Å; K25-W592 WeakPolarHBondContact O-CH2 3.47Å; F28-W592 HydrophobicContact CD1-CE3 4.02Å; F28-W592 AromaticContact CD1-CZ3 3.91Å; F28-W592 HydrophobicContact CD1-CZ3 3.91Å; F28-W592 HydrophobicContact CE1-CD2 4.11Å; F28-W592 AromaticContact CE1-CE3 3.52Å; F28-W592 HydrophobicContact CE1-CE3 3.52Å; F28-W592 AromaticContact CE1-CZ3 3.83Å; F28-W592 HydrophobicContact CE1-CZ3 3.83Å; K36-W592 CarbonylContact O-C 3.58Å; K36-W592 WeakPolarHBondContact O-CA 3.41Å; L37-W592 HydrophobicContact CB-CD2 4.36Å; L37-W592 HydrophobicContact CB-CE3 3.97Å; L37-W592 HydrophobicContact CB-CH2 4.24Å; L37-W592 HydrophobicContact CB-CZ3 3.93Å; L37-W592 HydrophobicContact CD1-CD2 4.24Å; L37-W592 HydrophobicContact CD1-CZ2 4.1Å; I565-W592 HydrophobicContact CB-CH2 3.86Å; I565-W592 HydrophobicContact CB-CZ2 3.66Å; I565-W592 HydrophobicContact CD1-CZ2 4Å; I565-W592 HydrophobicContact CG1-CZ2 4.45Å; I565-W592 HydrophobicContact CG2-CH2 3.49Å; I565-W592 VanDerWaalsContact CG2-CH2 3.49Å; I565-W592 HydrophobicContact CG2-CZ2 3.7Å; I565-W592 HydrophobicContact CG2-CZ3 4.42Å; S579-W592 CarbonylContact C-O 3.49Å; S579-W592 WeakPolarHBondContact CA-O 3.34Å; S579-W592 VanDerWaalsContact CB-O 3.26Å; S579-W592 WeakPolarHBondContact CB-O 3.48Å; I580-W592 HydrophobicContact CB-CB 4.15Å; I580-W592 PolarHBondContact N-O 3.07Å; I580-W592 WeakPolarHBondContact O-CB 3.25Å; I580-W592 VanDerWaalsContact O-CD1 3.24Å; I580-W592 PolarHBondContact O-N 3.37Å; T582-W592 PolarHBondContact OG1-NE1 3.04Å; W592-R594 PolarHBondContact O-N 3.34Å
593	A	96.6	Very high	82.4	Confident	0 Å²	0	34 Å²	34	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	132.8	178.4	0	0	0	0	0	110.3	Y35 K36 M38 V108 T598	Y35-A593 WeakPolarHBondContact CA-O 3.45Å; K36-A593 PolarHBondContact N-O 3.29Å; K36-A593 VanDerWaalsContact N-O 3.14Å; K36-A593 PolarHBondContact O-N 2.74Å; M38-A593 HydrophobicContact CG-CB 3.68Å; M38-A593 HydrophobicContact SD-CB 3.77Å; V108-A593 HydrophobicContact CB-CB 4.49Å; V108-A593 HydrophobicContact CG1-CB 3.68Å; A593-T598 HydrophobicContact CB-CG2 3.83Å
594	R	95.5	Very high	79.5	Confident	11 Å²	11	36.9 Å²	36.9	4%	0.042	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-66.6	158.5	168.8	-71.6	-172.6	-171	-93.8	6.9	110.8	Y35 D342 Y344 R576 E577 D578 W592 G596 H597	Y35-R594 HydrophobicContact CD1-CG 4.39Å; Y35-R594 HydrophobicContact CE1-CB 4.33Å; Y35-R594 HydrophobicContact CE1-CG 3.73Å; Y35-R594 PolarHBondContact OH-NH1 2.91Å; D342-R594 VanDerWaalsContact CG-NH2 3.33Å; D342-R594 IonicContact OD1-CZ 3.8Å; D342-R594 IonicContact OD1-NH1 3.94Å; D342-R594 IonicContact OD1-NH2 2.55Å; D342-R594 PolarHBondContact OD1-NH2 3.29Å; D342-R594 IonicContact OD2-CZ 2.65Å; D342-R594 IonicContact OD2-NH1 2.87Å; D342-R594 PolarHBondContact OD2-NH1 2.84Å; D342-R594 IonicContact OD2-NH2 2.67Å; D342-R594 PolarHBondContact OD2-NH2 2.86Å; Y344-R594 VanDerWaalsContact CD2-NH2 3.35Å; R576-R594 PolarHBondContact O-NE 3.37Å; R576-R594 PolarHBondContact O-NH2 2.93Å; E577-R594 WeakPolarHBondContact O-CD 3.32Å; E577-R594 PolarHBondContact O-NE 3.02Å; D578-R594 WeakPolarHBondContact O-CB 3.35Å; D578-R594 PolarHBondContact O-N 2.91Å; W592-R594 PolarHBondContact O-N 3.34Å; R594-G596 PolarHBondContact O-N 3.47Å; R594-H597 PolarHBondContact O-N 2.95Å; R594-H597 VanDerWaalsContact O-N 3.14Å
595	P	92.2	Very high	76.6	Confident	31 Å²	31	44.3 Å²	44.3	20%	0.201	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	137.6	168	-24.6	34.9	0	0	0	110.7	E32 G33 Y35 H597	E32-P595 HydrophobicContact CB-CG 4.07Å; E32-P595 WeakPolarHBondContact O-CB 3.44Å; E32-P595 WeakPolarHBondContact O-CG 3.49Å; G33-P595 VanDerWaalsContact C-CG 3.49Å; Y35-P595 HydrophobicContact CD2-CG 3.94Å; Y35-P595 VanDerWaalsContact CE2-CD 3.46Å; Y35-P595 HydrophobicContact CE2-CG 3.74Å; P595-H597 VanDerWaalsContact C-N 3.29Å; P595-H597 PolarHBondContact O-N 2.99Å; P595-H597 PolarHBondContact O-ND1 2.97Å; P595-H597 VanDerWaalsContact O-ND1 3.1Å
596	G	88.5	Confident	73.9	Confident	46 Å²	46	51.6 Å²	51.6	47%	0.474	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	-23.7	-178.6	0	0	0	0	0	115.7	R594 N601	R594-G596 PolarHBondContact O-N 3.47Å; G596-N601 WeakPolarHBondContact O-CB 3.35Å
597	H	83.4	Confident	71.1	Confident	65 Å²	65	56.7 Å²	56.7	30%	0.301	33%	0.331	S	S	.	.			trans	-97.1	3.7	-169	-68.5	79.2	0	0	0	114.8	V108 D578 R594 P595	V108-H597 WeakPolarHBondContact CG2-O 3.46Å; D578-H597 HydrophobicContact CB-CB 4.28Å; R594-H597 PolarHBondContact O-N 2.95Å; R594-H597 VanDerWaalsContact O-N 3.14Å; P595-H597 VanDerWaalsContact C-N 3.29Å; P595-H597 PolarHBondContact O-N 2.99Å; P595-H597 PolarHBondContact O-ND1 2.97Å; P595-H597 VanDerWaalsContact O-ND1 3.1Å
598	T	76.5	Confident	68.2	Low	38 Å²	38	63.8 Å²	63.8	23%	0.233	37%	0.367	C	S	.	.	S	Bend	trans	-72.6	142.7	174	57.7	0	0	0	0	111	M38 A593 A600 N601	M38-T598 HydrophobicContact SD-CG2 4.36Å; A593-T598 HydrophobicContact CB-CG2 3.83Å; T598-A600 PolarHBondContact O-N 2.83Å; T598-N601 PolarHBondContact O-N 2.65Å
599	A	60.3	Low	65	Low	63 Å²	63	69.7 Å²	69.7	52%	0.521	40%	0.4	S	S	.	.	H	α-helix	trans	-46.2	-30.4	-179.2	0	0	0	0	0	115.5	N601 L602 T603	A599-N601 PolarHBondContact O-N 3.2Å; A599-L602 PolarHBondContact O-N 2.84Å; A599-T603 PolarHBondContact O-N 2.67Å; A599-T603 PolarHBondContact O-OG1 2.95Å
600	A	52.2	Low	61.9	Low	73 Å²	73	75.2 Å²	75.2	60%	0.603	44%	0.439	S	S	*	.	H	α-helix	trans	-60.5	-28.4	175.7	0	0	0	0	0	114.1	T598 T603	T598-A600 PolarHBondContact O-N 2.83Å; A600-T603 PolarHBondContact O-OG1 2.99Å
601	N	46.1	Very low	58.7	Low	76 Å²	76	79.6 Å²	79.6	41%	0.406	47%	0.468	S	S	.	.	H	α-helix	trans	-91.4	-33.7	179.8	-72.5	-5.3	0	0	0	112.1	G596 T598 A599 T603 S604	G596-N601 WeakPolarHBondContact O-CB 3.35Å; T598-N601 PolarHBondContact O-N 2.65Å; A599-N601 PolarHBondContact O-N 3.2Å; N601-T603 VanDerWaalsContact C-N 3.27Å; N601-T603 PolarHBondContact O-N 3.3Å; N601-S604 PolarHBondContact O-N 3.06Å; N601-S604 PolarHBondContact O-OG 2.71Å
602	L	45	Very low	55.4	Low	97 Å²	97	85 Å²	85	51%	0.508	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-33.2	178.1	-75.1	152.7	0	0	0	112.1	A599 S604	A599-L602 PolarHBondContact O-N 2.84Å; L602-S604 VanDerWaalsContact C-N 3.31Å; L602-S604 PolarHBondContact O-N 3Å
603	T	40.5	Very low	52.2	Low	104 Å²	104	93.6 Å²	93.6	64%	0.638	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.2	174.6	48.5	0	0	0	0	114.2	A599 A600 N601	A599-T603 PolarHBondContact O-N 2.67Å; A599-T603 PolarHBondContact O-OG1 2.95Å; A600-T603 PolarHBondContact O-OG1 2.99Å; N601-T603 VanDerWaalsContact C-N 3.27Å; N601-T603 PolarHBondContact O-N 3.3Å
604	S	36.1	Very low	49.2	Very low	62 Å²	62	97 Å²	97	43%	0.434	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.7	-21.7	-176.9	70.5	0	0	0	0	114.1	N601 L602	N601-S604 PolarHBondContact O-N 3.06Å; N601-S604 PolarHBondContact O-OG 2.71Å; L602-S604 VanDerWaalsContact C-N 3.31Å; L602-S604 PolarHBondContact O-N 3Å
605	Q	34.8	Very low	46.2	Very low	163 Å²	163	103.2 Å²	103.2	76%	0.762	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-80.8	-17.4	178.1	-75.1	-171.5	-15.8	0	0	113.8	N607	Q605-N607 VanDerWaalsContact C-N 3.34Å; Q605-N607 PolarHBondContact O-N 2.93Å
606	H	35.4	Very low	43.5	Very low	162 Å²	162	107.4 Å²	107.4	75%	0.75	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-85.2	1.5	177.9	-100.7	-77.1	0	0	0	115.1
607	N	31.4	Very low	40.9	Very low	140 Å²	140	110.1 Å²	110.1	75%	0.749	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-125.3	13.5	-177.5	-89.8	-24.2	0	0	0	115.4	Q605 N609	Q605-N607 VanDerWaalsContact C-N 3.34Å; Q605-N607 PolarHBondContact O-N 2.93Å; N607-N609 PolarHBondContact O-N 3.06Å
608	L	33	Very low	38.8	Very low	150 Å²	150	113.9 Å²	113.9	79%	0.785	70%	0.699	S	S	*	*			trans	-98.7	57.9	173.7	-72.9	163.5	0	0	0	111.6
609	N	28.4	Very low	37	Very low	159 Å²	159	121.1 Å²	121.1	85%	0.85	73%	0.732	S	S	*	*			trans	-106.1	95.3	153.3	-96.9	-13.9	0	0	0	106.8	N607	N607-N609 PolarHBondContact O-N 3.06Å
610	S	31.9	Very low	35.7	Very low	116 Å²	116	125.8 Å²	125.8	81%	0.811	75%	0.748	S	S	*	*			trans	-157.1	144.8	163.4	-83.8	0	0	0	0	111.7
611	P	31	Very low	35	Very low	115 Å²	115	128.4 Å²	128.4	75%	0.747	76%	0.758	S	S	*	*			trans	-84	154.1	-154.5	34.3	-36	0	0	0	113.7	L613	P611-L613 PolarHBondContact O-N 3.42Å
612	C	27.6	Very low	34.6	Very low	112 Å²	112	128 Å²	128	76%	0.757	77%	0.772	S	S	*	*			trans	-28.8	123.3	159	45.4	0	0	0	0	115.4
613	L	30	Very low	34.2	Very low	183 Å²	183	127.7 Å²	127.7	96%	0.958	78%	0.784	S	S	*	*			trans	175	125.3	142.4	-97.1	143.4	0	0	0	109.4	P611	P611-L613 PolarHBondContact O-N 3.42Å
614	G	33.4	Very low	34.3	Very low	70 Å²	70	128.7 Å²	128.7	72%	0.722	79%	0.79	S	S	*	*			trans	172	66.2	178.2	0	0	0	0	0	114.2
615	T	33	Very low	34.2	Very low	143 Å²	143	133.8 Å²	133.8	88%	0.877	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-47.3	131.9	169.8	37.6	0	0	0	0	113.4
616	S	34.9	Very low	34.9	Very low	118 Å²	118	136.1 Å²	136.1	83%	0.825	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-90.4	132.6	169.6	-61.5	0	0	0	0	110.7
617	A	33.2	Very low	34.9	Very low	103 Å²	103	134.9 Å²	134.9	85%	0.851	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-71.9	137	179.7	0	0	0	0	0	112.3
618	T	40.9	Very low	35	Very low	145 Å²	145	134.6 Å²	134.6	89%	0.89	84%	0.843	S	S	*	*			trans	-132.4	142.5	160.6	26.3	0	0	0	0	109.8
619	M	38	Very low	35.1	Very low	190 Å²	190	133.7 Å²	133.7	94%	0.936	85%	0.846	S	S	*	*			trans	-59	145.8	-164.4	-64	-113.1	131.6	0	0	115.9
620	L	33.1	Very low	35.5	Very low	161 Å²	161	132.2 Å²	132.2	84%	0.843	85%	0.846	S	S	*	*			trans	-61.9	169.7	158.8	-83.2	160.8	0	0	0	111.3
621	P	36.9	Very low	35.8	Very low	127 Å²	127	133.3 Å²	133.3	83%	0.825	85%	0.848	S	S	*	*			cis	-139.5	168.3	20.3	38.6	-19.1	0	0	0	116.4
622	G	37.8	Very low	36.1	Very low	67 Å²	67	134.5 Å²	134.5	69%	0.691	86%	0.855	S	S	*	*			trans	145.3	101.4	151.9	0	0	0	0	0	117.7
623	A	37	Very low	36.7	Very low	92 Å²	92	136.1 Å²	136.1	76%	0.76	86%	0.862	S	S	*	*			trans	71.4	105.6	132.7	0	0	0	0	0	122
624	T	43.5	Very low	37.2	Very low	125 Å²	125	132.5 Å²	132.5	77%	0.767	85%	0.854	S	S	*	*				83.8	110.2	111.1	-43.3	0	0	0	0	121.2
625	M	33.5	Very low	37.5	Very low	169 Å²	169	137.7 Å²	137.7	83%	0.833	87%	0.865	S	S	*	*			trans	48	124.2	138.9	-56.2	-139.7	-63.4	0	0	121.4
626	V	48.5	Very low	37.9	Very low	212 Å²	212	137.2 Å²	137.2	100%	1.285	86%	0.864	S	S	*	*				-141.9	0	81	174.7	0	0	0	0	108.5

Retrieved 626 of 626 residues in 982.7 ms (Link to these results)

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