A0A096NPH1_PAPAN Loading...

Kelch-like protein 36

Probable substrate-specific adapter of an E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins.

AlphaFold DB (A0A2K5M7F8), UniProt , Accession A0A096NPH1, Species PAPAN (Papio anubis, Olive baboon), Gene KLHL36, Length 616 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	47.8	Very low	47.3	Very low	242 Å²	242	169.7 Å²	169.7	100%	1.192	88%	0.883	S	S	*	*				0	114.3	0	-70	-177.2	-166	0	0	108
2	M	37.2	Very low	48.1	Very low	195 Å²	195	175 Å²	175	96%	0.961	88%	0.883	S	S	*	*			trans	171.5	118	140.4	-96.7	-172.5	-166.3	0	0	107.1
3	E	41.6	Very low	48.5	Very low	197 Å²	197	169.5 Å²	169.5	92%	0.921	87%	0.867	S	S	*	*			trans	-62.5	130.4	177.3	-68.5	164.3	125.6	0	0	110.7	S5	E3-S5 PolarHBondContact O-N 3.33Å
4	G	42.7	Very low	49.1	Very low	79 Å²	79	174.6 Å²	174.6	81%	0.814	87%	0.872	S	S	*	*			trans	-80.4	100.6	164	0	0	0	0	0	109.5	R6	G4-R6 PolarHBondContact O-N 3.37Å
5	S	45.1	Very low	49.9	Very low	107 Å²	107	176.6 Å²	176.6	75%	0.748	87%	0.874	S	S	*	*			trans	-36.4	114.8	176.9	54.3	0	0	0	0	115.7	E3 Q7	E3-S5 PolarHBondContact O-N 3.33Å; S5-Q7 PolarHBondContact O-N 2.95Å
6	R	49.2	Very low	50.6	Low	242 Å²	242	175 Å²	175	91%	0.913	87%	0.867	S	S	*	*			trans	-63	117.6	153.2	-83.4	178.8	172	173	-1.9	107.7	G4 T8	G4-R6 PolarHBondContact O-N 3.37Å; R6-T8 PolarHBondContact O-N 3.3Å
7	Q	47.2	Very low	51.3	Low	190 Å²	190	169.5 Å²	169.5	89%	0.888	85%	0.85	S	S	*	*			trans	-57.5	108.1	167.1	-85.5	178.1	-16.9	0	0	108.9	S5 R9	S5-Q7 PolarHBondContact O-N 2.95Å; Q7-R9 PolarHBondContact O-N 3.15Å; Q7-R9 VanDerWaalsContact O-N 3.15Å
8	T	47.8	Very low	52	Low	131 Å²	131	171.2 Å²	171.2	80%	0.804	86%	0.855	S	S	*	*			trans	-53.2	112.6	167.2	30.6	0	0	0	0	109	R6 V10	R6-T8 PolarHBondContact O-N 3.3Å; T8-V10 PolarHBondContact O-N 3.15Å; T8-V10 VanDerWaalsContact O-N 3.15Å
9	R	52.9	Low	52.9	Low	244 Å²	244	165.7 Å²	165.7	92%	0.921	83%	0.834	S	S	*	*			trans	-50.9	121.7	165.8	-86.7	-179.1	171.3	177	-2.5	107.7	Q7 S11	Q7-R9 PolarHBondContact O-N 3.15Å; Q7-R9 VanDerWaalsContact O-N 3.15Å; R9-S11 PolarHBondContact O-N 3.17Å
10	V	55.8	Low	54	Low	132 Å²	132	163.1 Å²	163.1	80%	0.8	83%	0.832	S	S	*	*			trans	-42.7	124.2	176.3	-178.8	0	0	0	0	109.9	T8 R12	T8-V10 PolarHBondContact O-N 3.15Å; T8-V10 VanDerWaalsContact O-N 3.15Å; V10-R12 PolarHBondContact O-N 3.25Å; V10-R12 VanDerWaalsContact O-N 3.17Å
11	S	52.7	Low	55.2	Low	108 Å²	108	162.6 Å²	162.6	76%	0.755	82%	0.824	S	S	*	*			trans	-54	115.3	172.5	46.6	0	0	0	0	109.8	R9	R9-S11 PolarHBondContact O-N 3.17Å
12	R	57.6	Low	56.8	Low	233 Å²	233	156.8 Å²	156.8	88%	0.879	80%	0.802	S	S	*	*			trans	-59.8	130.5	177.4	-78.1	179.2	172.7	178.3	-3.1	109.8	V10	V10-R12 PolarHBondContact O-N 3.25Å; V10-R12 VanDerWaalsContact O-N 3.17Å
13	P	53.4	Low	59.1	Low	104 Å²	104	156.9 Å²	156.9	68%	0.675	79%	0.793	S	S	*	*			trans	-68.4	139.3	173	25.5	-30.3	0	0	0	111.3	K15	P13-K15 PolarHBondContact O-N 2.84Å
14	Y	55.7	Low	61.2	Low	240 Å²	240	158.6 Å²	158.6	94%	0.941	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	40.5	-173.3	-105.5	-85.3	0	0	0	116
15	K	62.1	Low	63.4	Low	205 Å²	205	162.3 Å²	162.3	89%	0.891	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.3	19.9	-177.5	-77.8	-167.7	178.7	-179.7	0	116.4	P13	P13-K15 PolarHBondContact O-N 2.84Å
16	I	61.4	Low	65.4	Low	151 Å²	151	161.3 Å²	161.3	77%	0.774	78%	0.779	S	S	*	*	S	Bend	trans	-110.6	116.6	167.6	-57.4	175.8	0	0	0	107.1	E18	I16-E18 PolarHBondContact O-N 3.31Å
17	S	61.8	Low	67.3	Low	81 Å²	81	154.4 Å²	154.4	57%	0.566	76%	0.76	S	S	*	*			trans	-52	130.6	178.8	-176	0	0	0	0	110.9	S19	S17-S19 WeakPolarHBondContact CB-OG 3.47Å; S17-S19 PolarHBondContact O-N 3.2Å; S17-S19 WeakPolarHBondContact OG-CB 3.16Å; S17-S19 PolarHBondContact OG-N 3.3Å; S17-S19 PolarHBondContact OG-OG 3.09Å
18	E	63.9	Low	69.4	Low	201 Å²	201	150 Å²	150	94%	0.939	74%	0.739	S	S	*	*			trans	-71.9	-3.6	173.9	-66.3	-172.9	159.9	0	0	112.7	I16 S20	I16-E18 PolarHBondContact O-N 3.31Å; E18-S20 PolarHBondContact O-N 3.14Å
19	S	70.1	Confident	71.3	Confident	66 Å²	66	147.6 Å²	147.6	46%	0.462	73%	0.728	S	S	.	*	S	Bend	trans	-63.6	119.3	172.9	64.5	0	0	0	0	110.8	S17 K21	S17-S19 WeakPolarHBondContact CB-OG 3.47Å; S17-S19 PolarHBondContact O-N 3.2Å; S17-S19 WeakPolarHBondContact OG-CB 3.16Å; S17-S19 PolarHBondContact OG-N 3.3Å; S17-S19 PolarHBondContact OG-OG 3.09Å; S19-K21 PolarHBondContact O-N 3.29Å
20	S	73.4	Confident	72.9	Confident	114 Å²	114	139 Å²	139	80%	0.797	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-60.1	121	173.7	56.4	0	0	0	0	110.8	E18	E18-S20 PolarHBondContact O-N 3.14Å
21	K	80.2	Confident	74.5	Confident	153 Å²	153	134.8 Å²	134.8	67%	0.665	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-99.9	125.4	170.7	-66.9	-175.9	-179.8	-178	0	109.2	S19 Y23	S19-K21 PolarHBondContact O-N 3.29Å; K21-Y23 HydrophobicContact CB-CE2 3.96Å
22	V	82	Confident	76.3	Confident	120 Å²	120	132.6 Å²	132.6	73%	0.727	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-94.1	120.9	174.9	-178.8	0	0	0	0	108.5	R24	V22-R24 HydrophobicContact CG1-CG 4.35Å
23	Y	83.9	Confident	77.8	Confident	196 Å²	196	124.4 Å²	124.4	77%	0.769	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-97.6	128	172.2	-65.4	-94.1	0	0	0	108.6	K21	K21-Y23 HydrophobicContact CB-CE2 3.96Å
24	R	87.1	Confident	79.5	Confident	234 Å²	234	125.1 Å²	125.1	88%	0.883	63%	0.629	S	S	*	*			trans	-109.7	126.3	178.8	-63.7	-176.1	-179.3	179.8	-0.3	109.2	V22	V22-R24 HydrophobicContact CG1-CG 4.35Å
25	W	88.1	Confident	81.2	Confident	156 Å²	156	120.5 Å²	120.5	59%	0.591	61%	0.61	S	S	*	*			trans	-94.1	103.2	169.7	179.3	15.8	0	0	0	108.4	D27 H28 T31	W25-D27 VanDerWaalsContact C-N 3.33Å; W25-D27 PolarHBondContact O-N 3.22Å; W25-H28 HydrophobicContact CB-CB 4.15Å; W25-H28 HydrophobicContact CD2-CB 3.65Å; W25-H28 HydrophobicContact CE3-CB 3.64Å; W25-H28 AromaticContact CE3-CG 3.66Å; W25-H28 AromaticContact CE3-ND1 3.16Å; W25-H28 HydrophobicContact CG-CB 3.91Å; W25-H28 AromaticContact CH2-ND1 3.83Å; W25-H28 HydrophobicContact CZ3-CB 4.27Å; W25-H28 AromaticContact CZ3-CE1 3.91Å; W25-H28 AromaticContact CZ3-CG 3.98Å; W25-H28 AromaticContact CZ3-ND1 3.04Å; W25-H28 WeakPolarHBondContact CZ3-ND1 3.41Å; W25-H28 WeakPolarHBondContact O-CB 3.27Å; W25-H28 PolarHBondContact O-N 3.32Å; W25-T31 HydrophobicContact CH2-CG2 4.35Å; W25-T31 HydrophobicContact CZ2-CG2 4.22Å
26	A	87.6	Confident	82.6	Confident	86 Å²	86	113 Å²	113	71%	0.711	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-38.9	-173.3	0	0	0	0	0	112.9	H28	A26-H28 VanDerWaalsContact C-N 3.34Å; A26-H28 PolarHBondContact O-N 3.36Å
27	D	88.9	Confident	84	Confident	98 Å²	98	107.6 Å²	107.6	52%	0.524	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.6	14.4	-175.6	-48.9	-52.8	0	0	0	113.7	W25 S29 S30 T31	W25-D27 VanDerWaalsContact C-N 3.33Å; W25-D27 PolarHBondContact O-N 3.22Å; D27-S29 PolarHBondContact O-N 3.38Å; D27-S30 PolarHBondContact O-OG 2.88Å; D27-S30 VanDerWaalsContact O-OG 3.04Å; D27-T31 VanDerWaalsContact O-CB 3.32Å; D27-T31 WeakPolarHBondContact O-CB 3.46Å; D27-T31 PolarHBondContact O-N 3.44Å; D27-T31 PolarHBondContact O-OG1 3.2Å
28	H	90.8	Very high	85.5	Confident	98 Å²	98	106.9 Å²	106.9	45%	0.454	54%	0.54	S	S	.	.	H	α-helix	trans	-59.1	-48.3	-177.1	-179.5	51.1	0	0	0	111.8	W25 A26 V32	W25-H28 HydrophobicContact CB-CB 4.15Å; W25-H28 HydrophobicContact CD2-CB 3.65Å; W25-H28 HydrophobicContact CE3-CB 3.64Å; W25-H28 AromaticContact CE3-CG 3.66Å; W25-H28 AromaticContact CE3-ND1 3.16Å; W25-H28 HydrophobicContact CG-CB 3.91Å; W25-H28 AromaticContact CH2-ND1 3.83Å; W25-H28 HydrophobicContact CZ3-CB 4.27Å; W25-H28 AromaticContact CZ3-CE1 3.91Å; W25-H28 AromaticContact CZ3-CG 3.98Å; W25-H28 AromaticContact CZ3-ND1 3.04Å; W25-H28 WeakPolarHBondContact CZ3-ND1 3.41Å; W25-H28 WeakPolarHBondContact O-CB 3.27Å; W25-H28 PolarHBondContact O-N 3.32Å; A26-H28 VanDerWaalsContact C-N 3.34Å; A26-H28 PolarHBondContact O-N 3.36Å; H28-V32 WeakPolarHBondContact O-CB 3.33Å; H28-V32 WeakPolarHBondContact O-CG2 3.33Å; H28-V32 PolarHBondContact O-N 2.64Å
29	S	87.4	Confident	86.9	Confident	80 Å²	80	100.4 Å²	100.4	56%	0.559	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-46	-177.2	47	0	0	0	0	112.7	D27 V32 L33	D27-S29 PolarHBondContact O-N 3.38Å; S29-V32 PolarHBondContact O-N 3.38Å; S29-L33 PolarHBondContact O-N 3.37Å
30	S	86.8	Confident	87.9	Confident	62 Å²	62	97.9 Å²	97.9	43%	0.434	49%	0.49	S	S	.	.	H	α-helix	trans	-64.2	-43.7	178.5	54	0	0	0	0	111.7	D27 V32 L33 Q34	D27-S30 PolarHBondContact O-OG 2.88Å; D27-S30 VanDerWaalsContact O-OG 3.04Å; S30-V32 VanDerWaalsContact C-N 3.33Å; S30-V32 PolarHBondContact O-N 3.05Å; S30-L33 PolarHBondContact O-N 3.32Å; S30-Q34 WeakPolarHBondContact O-CB 3.39Å; S30-Q34 PolarHBondContact O-N 3.24Å
31	T	89	Confident	88.8	Confident	45 Å²	45	98.6 Å²	98.6	28%	0.276	48%	0.484	S	S	.	.	H	α-helix	trans	-62	-41.5	177.1	-54.2	0	0	0	0	111.4	W25 D27 R35	W25-T31 HydrophobicContact CH2-CG2 4.35Å; W25-T31 HydrophobicContact CZ2-CG2 4.22Å; D27-T31 VanDerWaalsContact O-CB 3.32Å; D27-T31 WeakPolarHBondContact O-CB 3.46Å; D27-T31 PolarHBondContact O-N 3.44Å; D27-T31 PolarHBondContact O-OG1 3.2Å; T31-R35 VanDerWaalsContact O-CG 3.28Å; T31-R35 WeakPolarHBondContact O-CG 3.31Å; T31-R35 PolarHBondContact O-N 2.93Å; T31-R35 VanDerWaalsContact O-N 3.1Å
32	V	90.2	Very high	89.3	Confident	62 Å²	62	100.2 Å²	100.2	38%	0.376	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-48.8	178.6	168.2	0	0	0	0	111.1	H28 S29 S30 Q34 R35 L36	H28-V32 WeakPolarHBondContact O-CB 3.33Å; H28-V32 WeakPolarHBondContact O-CG2 3.33Å; H28-V32 PolarHBondContact O-N 2.64Å; S29-V32 PolarHBondContact O-N 3.38Å; S30-V32 VanDerWaalsContact C-N 3.33Å; S30-V32 PolarHBondContact O-N 3.05Å; V32-Q34 PolarHBondContact O-N 3.31Å; V32-R35 PolarHBondContact O-N 3.33Å; V32-L36 HydrophobicContact CG1-CD1 4.03Å; V32-L36 WeakPolarHBondContact O-CG 3.23Å; V32-L36 PolarHBondContact O-N 2.93Å
33	L	89.6	Confident	89.6	Confident	61 Å²	61	96.9 Å²	96.9	32%	0.319	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-41.6	179.3	-74.9	171.9	0	0	0	112.2	S29 S30 R35 L36 N37 L63	S29-L33 PolarHBondContact O-N 3.37Å; S30-L33 PolarHBondContact O-N 3.32Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 3.38Å; L33-L36 PolarHBondContact O-N 3.44Å; L33-N37 PolarHBondContact O-N 2.96Å; L33-L63 HydrophobicContact CD2-CD1 3.72Å
34	Q	89.8	Confident	89.8	Confident	119 Å²	119	91.4 Å²	91.4	56%	0.556	46%	0.459	S	S	*	.	H	α-helix	trans	-59.7	-44.1	175.7	-170.6	-179.4	18.1	0	0	111.7	S30 V32 N37 E38	S30-Q34 WeakPolarHBondContact O-CB 3.39Å; S30-Q34 PolarHBondContact O-N 3.24Å; V32-Q34 PolarHBondContact O-N 3.31Å; Q34-N37 WeakPolarHBondContact O-CB 3.28Å; Q34-N37 PolarHBondContact O-N 2.95Å; Q34-E38 PolarHBondContact O-N 3.27Å
35	R	90.8	Very high	89.9	Confident	143 Å²	143	87.8 Å²	87.8	54%	0.54	45%	0.451	S	S	.	.	H	α-helix	trans	-67.1	-36.6	176.9	-68.6	-60.5	-172.8	-173	-2.6	112.8	T31 V32 L33 N37 E38 Q39	T31-R35 VanDerWaalsContact O-CG 3.28Å; T31-R35 WeakPolarHBondContact O-CG 3.31Å; T31-R35 PolarHBondContact O-N 2.93Å; T31-R35 VanDerWaalsContact O-N 3.1Å; V32-R35 PolarHBondContact O-N 3.33Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 3.38Å; R35-N37 VanDerWaalsContact C-N 3.3Å; R35-E38 VanDerWaalsContact CD-OE2 3.28Å; R35-E38 WeakPolarHBondContact CD-OE2 3.28Å; R35-E38 IonicContact CZ-OE2 3.15Å; R35-E38 IonicContact NE-OE2 3.98Å; R35-E38 IonicContact NH1-OE1 3.05Å; R35-E38 PolarHBondContact NH1-OE1 3.01Å; R35-E38 IonicContact NH1-OE2 2.75Å; R35-E38 PolarHBondContact NH1-OE2 3.48Å; R35-E38 PolarHBondContact O-N 3.08Å; R35-Q39 WeakPolarHBondContact O-CG 3.36Å; R35-Q39 PolarHBondContact O-N 2.64Å
36	L	91.6	Very high	89.9	Confident	48 Å²	48	82 Å²	82	25%	0.251	43%	0.434	S	S	.	.	H	α-helix	trans	-63.9	-37.5	172.7	-74.2	170.2	0	0	0	111.5	V32 L33 Q39 R40 Y105	V32-L36 HydrophobicContact CG1-CD1 4.03Å; V32-L36 WeakPolarHBondContact O-CG 3.23Å; V32-L36 PolarHBondContact O-N 2.93Å; L33-L36 PolarHBondContact O-N 3.44Å; L36-Q39 PolarHBondContact O-N 3.31Å; L36-R40 PolarHBondContact O-N 3.35Å; L36-Y105 HydrophobicContact CB-CD1 4.14Å; L36-Y105 HydrophobicContact CB-CE1 4.09Å
37	N	92.2	Very high	90.1	Very high	37 Å²	37	81.6 Å²	81.6	20%	0.198	42%	0.419	C	S	.	.	H	α-helix	trans	-66.2	-43.4	175.5	-160.5	21.2	0	0	0	111.8	L33 Q34 R35 Q39 R40 L41 Y105	L33-N37 PolarHBondContact O-N 2.96Å; Q34-N37 WeakPolarHBondContact O-CB 3.28Å; Q34-N37 PolarHBondContact O-N 2.95Å; R35-N37 VanDerWaalsContact C-N 3.3Å; N37-Q39 VanDerWaalsContact C-N 3.29Å; N37-Q39 PolarHBondContact O-N 3.27Å; N37-R40 WeakPolarHBondContact O-CB 3.24Å; N37-R40 PolarHBondContact O-N 3.36Å; N37-R40 PolarHBondContact OD1-NE 2.75Å; N37-R40 VanDerWaalsContact OD1-NE 3.1Å; N37-R40 PolarHBondContact OD1-NH2 2.63Å; N37-L41 WeakPolarHBondContact O-CG 3.25Å; N37-L41 PolarHBondContact O-N 2.96Å; N37-Y105 HydrophobicContact CB-CD1 4.06Å; N37-Y105 HydrophobicContact CB-CG 4.33Å
38	E	92	Very high	90.3	Very high	65 Å²	65	77 Å²	77	30%	0.304	40%	0.395	S	S	.	.	H	α-helix	trans	-58.6	-40.4	174.1	-72.5	177.3	176.6	0	0	112.1	Q34 R35 R42	Q34-E38 PolarHBondContact O-N 3.27Å; R35-E38 VanDerWaalsContact CD-OE2 3.28Å; R35-E38 WeakPolarHBondContact CD-OE2 3.28Å; R35-E38 IonicContact CZ-OE2 3.15Å; R35-E38 IonicContact NE-OE2 3.98Å; R35-E38 IonicContact NH1-OE1 3.05Å; R35-E38 PolarHBondContact NH1-OE1 3.01Å; R35-E38 IonicContact NH1-OE2 2.75Å; R35-E38 PolarHBondContact NH1-OE2 3.48Å; R35-E38 PolarHBondContact O-N 3.08Å; E38-R42 WeakPolarHBondContact O-CG 3.22Å; E38-R42 PolarHBondContact O-N 3.05Å
39	Q	92.6	Very high	90.4	Very high	66 Å²	66	73.5 Å²	73.5	31%	0.308	38%	0.38	S	S	.	.	H	α-helix	trans	-64.5	-45.7	175.6	-73.5	176.6	-4.1	0	0	111.4	R35 L36 N37 L41 R42 G43 L44	R35-Q39 WeakPolarHBondContact O-CG 3.36Å; R35-Q39 PolarHBondContact O-N 2.64Å; L36-Q39 PolarHBondContact O-N 3.31Å; N37-Q39 VanDerWaalsContact C-N 3.29Å; N37-Q39 PolarHBondContact O-N 3.27Å; Q39-L41 PolarHBondContact O-N 2.96Å; Q39-R42 CarbonylContact O-C 3.6Å; Q39-R42 PolarHBondContact O-N 2.88Å; Q39-R42 VanDerWaalsContact O-N 3.14Å; Q39-G43 PolarHBondContact O-N 3.36Å; Q39-G43 VanDerWaalsContact O-N 3.12Å; Q39-L44 HydrophobicContact CB-CB 4.31Å; Q39-L44 PolarHBondContact O-N 3.22Å
40	R	92.9	Very high	90.7	Very high	13 Å²	13	69.7 Å²	69.7	5%	0.049	35%	0.354	C	S	.	.	H	α-helix	trans	-57	-49.4	177	-176.9	-171.5	66.9	110.4	-4.3	112	L36 N37 R42 G43 P58 D102 Y105	L36-R40 PolarHBondContact O-N 3.35Å; N37-R40 WeakPolarHBondContact O-CB 3.24Å; N37-R40 PolarHBondContact O-N 3.36Å; N37-R40 PolarHBondContact OD1-NE 2.75Å; N37-R40 VanDerWaalsContact OD1-NE 3.1Å; N37-R40 PolarHBondContact OD1-NH2 2.63Å; R40-R42 PolarHBondContact O-N 3.49Å; R40-G43 PolarHBondContact O-N 2.97Å; R40-P58 VanDerWaalsContact CD-O 3.25Å; R40-P58 WeakPolarHBondContact CD-O 3.37Å; R40-P58 WeakPolarHBondContact CG-O 3.5Å; R40-D102 IonicContact CZ-OD1 3.18Å; R40-D102 VanDerWaalsContact CZ-OD1 3.31Å; R40-D102 IonicContact NH1-OD1 3.7Å; R40-D102 PolarHBondContact NH1-OD1 3.05Å; R40-D102 VanDerWaalsContact NH1-OD1 3.11Å; R40-D102 IonicContact NH2-OD1 2.63Å; R40-D102 PolarHBondContact NH2-OD1 3.2Å; R40-Y105 HydrophobicContact CB-CE1 4.21Å
41	L	90.6	Very high	91	Very high	128 Å²	128	67.8 Å²	67.8	67%	0.67	34%	0.339	S	S	*	.	H	α-helix	trans	-62.9	-26.3	179.9	-69.2	173.2	0	0	0	112.9	N37 Q39	N37-L41 WeakPolarHBondContact O-CG 3.25Å; N37-L41 PolarHBondContact O-N 2.96Å; Q39-L41 PolarHBondContact O-N 2.96Å
42	R	91.1	Very high	91.2	Very high	188 Å²	188	65.8 Å²	65.8	71%	0.709	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.9	173.8	-66.6	178	-175.7	-175.7	3.9	113.5	E38 Q39 R40 L44	E38-R42 WeakPolarHBondContact O-CG 3.22Å; E38-R42 PolarHBondContact O-N 3.05Å; Q39-R42 CarbonylContact O-C 3.6Å; Q39-R42 PolarHBondContact O-N 2.88Å; Q39-R42 VanDerWaalsContact O-N 3.14Å; R40-R42 PolarHBondContact O-N 3.49Å; R42-L44 HydrophobicContact CB-CD1 3.97Å; R42-L44 HydrophobicContact CB-CG 3.94Å; R42-L44 PolarHBondContact O-N 2.92Å
43	G	88.2	Confident	91.2	Very high	50 Å²	50	67.8 Å²	67.8	52%	0.515	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	22.1	-175.7	0	0	0	0	0	113.9	Q39 R40	Q39-G43 PolarHBondContact O-N 3.36Å; Q39-G43 VanDerWaalsContact O-N 3.12Å; R40-G43 PolarHBondContact O-N 2.97Å
44	L	88.1	Confident	91.1	Very high	80 Å²	80	73 Å²	73	42%	0.419	36%	0.359	S	S	.	.			trans	-88.2	130	-179	-65.2	173.3	0	0	0	109.9	Q39 R42 C46 H60	Q39-L44 HydrophobicContact CB-CB 4.31Å; Q39-L44 PolarHBondContact O-N 3.22Å; R42-L44 HydrophobicContact CB-CD1 3.97Å; R42-L44 HydrophobicContact CB-CG 3.94Å; R42-L44 PolarHBondContact O-N 2.92Å; L44-C46 PolarHBondContact O-N 3.48Å; L44-H60 PolarHBondContact O-NE2 3.12Å
45	F	88.6	Confident	91.3	Very high	159 Å²	159	71.6 Å²	71.6	70%	0.697	35%	0.352	S	S	*	.	S	Bend	trans	61.2	6.6	177.8	-47.9	-72	0	0	0	116	D47 H60	F45-D47 PolarHBondContact O-N 3.26Å; F45-H60 PolarHBondContact O-CD2 3.24Å; F45-H60 VanDerWaalsContact O-CD2 3.31Å
46	C	89.7	Confident	91.4	Very high	35 Å²	35	72.2 Å²	72.2	24%	0.236	35%	0.354	C	S	.	.			trans	-62.8	117	171.1	-58.6	0	0	0	0	110	L44 P58 A59	L44-C46 PolarHBondContact O-N 3.48Å; C46-P58 HydrophobicContact CB-CB 4.19Å; C46-A59 WeakPolarHBondContact CA-O 3.42Å
47	D	91.4	Very high	91.5	Very high	77 Å²	77	70.1 Å²	70.1	41%	0.412	34%	0.344	S	S	.	.			trans	-105.2	0.7	-176.6	58.5	-5.8	0	0	0	112.6	F45 A59 H60 R61	F45-D47 PolarHBondContact O-N 3.26Å; D47-A59 PolarHBondContact N-O 2.96Å; D47-H60 VanDerWaalsContact OD1-CA 3.27Å; D47-H60 WeakPolarHBondContact OD1-CA 3.43Å; D47-R61 PolarHBondContact O-NE 2.91Å; D47-R61 WeakPolarHBondContact OD1-CG 3.37Å; D47-R61 PolarHBondContact OD1-N 3.24Å; D47-R61 WeakPolarHBondContact OD2-CB 3.42Å
48	I	92.6	Very high	91.6	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.5	173.2	-169.4	169	0	0	0	111.3	L50 A59 R61 L64 F75 V87	I48-L50 HydrophobicContact CD1-CD2 3.88Å; I48-L50 HydrophobicContact CG1-CD2 4.2Å; I48-A59 HydrophobicContact CG2-CB 4.12Å; I48-A59 WeakPolarHBondContact CG2-O 3.42Å; I48-A59 PolarHBondContact N-O 3.22Å; I48-A59 PolarHBondContact O-N 3.27Å; I48-A59 VanDerWaalsContact O-O 3.11Å; I48-R61 HydrophobicContact CB-CG 3.76Å; I48-R61 HydrophobicContact CD1-CG 4.31Å; I48-R61 HydrophobicContact CG2-CG 3.68Å; I48-L64 HydrophobicContact CG2-CD1 4.15Å; I48-F75 HydrophobicContact CD1-CE1 3.64Å; I48-F75 HydrophobicContact CD1-CZ 3.49Å; I48-F75 VanDerWaalsContact CD1-CZ 3.49Å; I48-V87 HydrophobicContact CD1-CB 4.36Å; I48-V87 HydrophobicContact CD1-CG2 3.85Å; I48-V87 HydrophobicContact CG1-CG2 4.36Å
49	V	93.2	Very high	91.7	Very high	25 Å²	25	67.4 Å²	67.4	15%	0.152	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.1	167.4	-179	0	0	0	0	108.1	V51 R56 K85 E86 V87	V49-V51 HydrophobicContact CG1-CG2 4.48Å; V49-R56 HydrophobicContact CG1-CB 3.65Å; V49-R56 HydrophobicContact CG1-CG 4.04Å; V49-K85 PolarHBondContact N-O 3.42Å; V49-E86 HydrophobicContact CB-CG 4.24Å; V49-E86 CarbonylContact O-C 3.47Å; V49-E86 VanDerWaalsContact O-CA 3.28Å; V49-E86 WeakPolarHBondContact O-CA 3.32Å; V49-V87 PolarHBondContact O-N 3.04Å
50	L	93.8	Very high	91.8	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.5	173.8	-56.2	176.8	0	0	0	108.7	I48 V57 L64 F71 V87 L89 L97 V101	I48-L50 HydrophobicContact CD1-CD2 3.88Å; I48-L50 HydrophobicContact CG1-CD2 4.2Å; L50-V57 HydrophobicContact CB-CB 4.5Å; L50-V57 PolarHBondContact N-O 3.39Å; L50-V57 PolarHBondContact O-N 3.05Å; L50-L64 HydrophobicContact CD1-CD1 3.91Å; L50-L64 HydrophobicContact CG-CD1 4.45Å; L50-F71 HydrophobicContact CD1-CE1 4.26Å; L50-F71 HydrophobicContact CD1-CE2 4.49Å; L50-F71 HydrophobicContact CD1-CZ 3.72Å; L50-F71 HydrophobicContact CD2-CE1 3.91Å; L50-F71 HydrophobicContact CD2-CZ 4.21Å; L50-V87 CarbonylContact C-O 3.52Å; L50-V87 WeakPolarHBondContact CA-O 3.47Å; L50-V87 HydrophobicContact CD2-CB 4.37Å; L50-L89 HydrophobicContact CB-CD1 4.16Å; L50-L89 HydrophobicContact CD1-CD1 4.16Å; L50-L89 HydrophobicContact CD2-CD1 4.23Å; L50-L89 HydrophobicContact CG-CD1 4.42Å; L50-L97 HydrophobicContact CB-CD2 3.88Å; L50-L97 HydrophobicContact CD1-CD1 4.01Å; L50-V101 HydrophobicContact CD1-CG2 4.19Å
51	V	93.1	Very high	91.7	Very high	21 Å²	21	66.2 Å²	66.2	13%	0.127	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127	-178.8	-172.7	0	0	0	0	109.5	V49 Q55 R56 E86 V87 E88 L89	V49-V51 HydrophobicContact CG1-CG2 4.48Å; V51-Q55 WeakPolarHBondContact CA-O 3.04Å; V51-R56 HydrophobicContact CG2-CG 4.2Å; V51-E86 HydrophobicContact CG2-CB 4.45Å; V51-V87 PolarHBondContact N-O 3.37Å; V51-E88 WeakPolarHBondContact O-CA 3.45Å; V51-L89 PolarHBondContact O-N 2.6Å
52	A	92.5	Very high	91.7	Very high	3 Å²	3	65.9 Å²	65.9	3%	0.025	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	136.8	173.2	0	0	0	0	0	108.4	E54 Q55 A92 L97	A52-E54 VanDerWaalsContact C-N 3.25Å; A52-E54 PolarHBondContact O-N 3.46Å; A52-Q55 PolarHBondContact N-O 3.38Å; A52-Q55 VanDerWaalsContact N-O 3.09Å; A52-Q55 WeakPolarHBondContact O-CA 3.22Å; A52-Q55 WeakPolarHBondContact O-CB 3.46Å; A52-Q55 PolarHBondContact O-N 2.96Å; A52-A92 WeakPolarHBondContact CB-O 3.22Å; A52-L97 HydrophobicContact CB-CB 4.38Å; A52-L97 HydrophobicContact CB-CD2 3.64Å
53	D	89.9	Confident	91.7	Very high	104 Å²	104	58 Å²	58	56%	0.556	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	43	-175.7	-56.7	-37.6	0	0	0	114	Q55 S93 Y94	D53-Q55 PolarHBondContact O-N 3.14Å; D53-S93 VanDerWaalsContact OD2-CA 3.3Å; D53-S93 WeakPolarHBondContact OD2-CA 3.31Å; D53-Y94 PolarHBondContact OD2-N 3.34Å
54	E	88.9	Confident	91.9	Very high	171 Å²	171	55.6 Å²	55.6	80%	0.799	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	6.7	-175.5	-56.4	-66.8	163	0	0	115	A52	A52-E54 VanDerWaalsContact C-N 3.25Å; A52-E54 PolarHBondContact O-N 3.46Å
55	Q	93	Very high	92.1	Very high	90 Å²	90	52.6 Å²	52.6	42%	0.421	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	144.7	178.2	-65.3	-166.6	57.4	0	0	111.6	V51 A52 D53 Y94	V51-Q55 WeakPolarHBondContact CA-O 3.04Å; A52-Q55 PolarHBondContact N-O 3.38Å; A52-Q55 VanDerWaalsContact N-O 3.09Å; A52-Q55 WeakPolarHBondContact O-CA 3.22Å; A52-Q55 WeakPolarHBondContact O-CB 3.46Å; A52-Q55 PolarHBondContact O-N 2.96Å; D53-Q55 PolarHBondContact O-N 3.14Å; Q55-Y94 HydrophobicContact CB-CD1 4.44Å; Q55-Y94 HydrophobicContact CB-CD2 3.27Å; Q55-Y94 HydrophobicContact CB-CE2 3.64Å; Q55-Y94 HydrophobicContact CB-CG 3.7Å; Q55-Y94 HydrophobicContact CG-CD2 4.18Å; Q55-Y94 HydrophobicContact CG-CE2 4.5Å; Q55-Y94 HydrophobicContact CG-CG 4.17Å
56	R	93.3	Very high	92.3	Very high	155 Å²	155	50.3 Å²	50.3	59%	0.585	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.8	-168.7	-68	172.4	77.3	-144.4	1.9	110.8	V49 V51 E86	V49-R56 HydrophobicContact CG1-CB 3.65Å; V49-R56 HydrophobicContact CG1-CG 4.04Å; V51-R56 HydrophobicContact CG2-CG 4.2Å; R56-E86 IonicContact CZ-OE1 3.86Å; R56-E86 IonicContact NE-OE1 3.91Å; R56-E86 PolarHBondContact NE-OE1 3.39Å; R56-E86 IonicContact NH2-OE1 2.74Å; R56-E86 PolarHBondContact NH2-OE1 2.75Å
57	V	94.4	Very high	92.4	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	105.6	176.9	-176.6	0	0	0	0	109.4	L50 Y94 L97 V101	L50-V57 HydrophobicContact CB-CB 4.5Å; L50-V57 PolarHBondContact N-O 3.39Å; L50-V57 PolarHBondContact O-N 3.05Å; V57-Y94 HydrophobicContact CG2-CD2 3.97Å; V57-Y94 HydrophobicContact CG2-CE2 3.7Å; V57-L97 HydrophobicContact CB-CD2 4.41Å; V57-L97 HydrophobicContact CG2-CD2 4.1Å; V57-L97 HydrophobicContact CG2-CG 4.34Å; V57-V101 HydrophobicContact CG1-CB 4.19Å; V57-V101 HydrophobicContact CG1-CG1 4.01Å; V57-V101 HydrophobicContact CG1-CG2 4.24Å
58	P	94.1	Very high	92.5	Very high	45 Å²	45	47.6 Å²	47.6	29%	0.292	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	142.1	177.9	30.3	-34	0	0	0	111.1	R40 C46	R40-P58 VanDerWaalsContact CD-O 3.25Å; R40-P58 WeakPolarHBondContact CD-O 3.37Å; R40-P58 WeakPolarHBondContact CG-O 3.5Å; C46-P58 HydrophobicContact CB-CB 4.19Å
59	A	94.4	Very high	92.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	174.2	179.6	0	0	0	0	0	112.5	C46 D47 I48 L64	C46-A59 WeakPolarHBondContact CA-O 3.42Å; D47-A59 PolarHBondContact N-O 2.96Å; I48-A59 HydrophobicContact CG2-CB 4.12Å; I48-A59 WeakPolarHBondContact CG2-O 3.42Å; I48-A59 PolarHBondContact N-O 3.22Å; I48-A59 PolarHBondContact O-N 3.27Å; I48-A59 VanDerWaalsContact O-O 3.11Å; A59-L64 HydrophobicContact CB-CD1 3.75Å; A59-L64 HydrophobicContact CB-CD2 4.48Å; A59-L64 HydrophobicContact CB-CG 4.2Å
60	H	93.6	Very high	92.4	Very high	18 Å²	18	54 Å²	54	8%	0.083	27%	0.274	C	S	.	.			trans	-106	123	172.6	-54.4	94.2	0	0	0	110.1	L44 F45 D47 N62 L63 L64 Y105	L44-H60 PolarHBondContact O-NE2 3.12Å; F45-H60 PolarHBondContact O-CD2 3.24Å; F45-H60 VanDerWaalsContact O-CD2 3.31Å; D47-H60 VanDerWaalsContact OD1-CA 3.27Å; D47-H60 WeakPolarHBondContact OD1-CA 3.43Å; H60-N62 VanDerWaalsContact C-N 3.27Å; H60-N62 PolarHBondContact O-N 3.29Å; H60-L63 HydrophobicContact CB-CB 4.45Å; H60-L63 PolarHBondContact O-N 3.38Å; H60-L64 PolarHBondContact O-N 2.9Å; H60-Y105 WeakPolarHBondContact CB-OH 3.46Å; H60-Y105 PolarHBondContact N-OH 2.7Å; H60-Y105 AromaticContact ND1-CE1 3.54Å; H60-Y105 AromaticContact ND1-CZ 3.57Å; H60-Y105 PolarHBondContact ND1-OH 3.07Å
61	R	91.1	Very high	92.3	Very high	35 Å²	35	54 Å²	54	13%	0.132	27%	0.274	C	S	.	.	H	α-helix	trans	-54.4	-42.7	-179.1	-72.3	171.6	166.4	-85.7	-1.1	112.5	D47 I48 L63 L64 A65 F75 E81 A82 Q84	D47-R61 PolarHBondContact O-NE 2.91Å; D47-R61 WeakPolarHBondContact OD1-CG 3.37Å; D47-R61 PolarHBondContact OD1-N 3.24Å; D47-R61 WeakPolarHBondContact OD2-CB 3.42Å; I48-R61 HydrophobicContact CB-CG 3.76Å; I48-R61 HydrophobicContact CD1-CG 4.31Å; I48-R61 HydrophobicContact CG2-CG 3.68Å; R61-L63 PolarHBondContact O-N 2.74Å; R61-L64 PolarHBondContact O-N 3.4Å; R61-A65 WeakPolarHBondContact O-CB 3.38Å; R61-A65 PolarHBondContact O-N 2.79Å; R61-F75 HydrophobicContact CB-CD2 3.92Å; R61-F75 HydrophobicContact CB-CE2 3.87Å; R61-F75 HydrophobicContact CG-CD2 4.24Å; R61-F75 HydrophobicContact CG-CE2 3.98Å; R61-F75 HydrophobicContact CG-CZ 4.19Å; R61-F75 VanDerWaalsContact NH1-CE1 3.27Å; R61-E81 PolarHBondContact NH2-O 3.44Å; R61-A82 PolarHBondContact NH1-O 3.03Å; R61-A82 PolarHBondContact NH2-O 3.24Å; R61-Q84 PolarHBondContact NH2-O 3.39Å
62	N	90.2	Very high	92.3	Very high	122 Å²	122	56 Å²	56	65%	0.652	28%	0.284	S	S	*	.	H	α-helix	trans	-63.7	-42.7	-177.7	-166.9	19.8	0	0	0	111.9	H60 A65 V66	H60-N62 VanDerWaalsContact C-N 3.27Å; H60-N62 PolarHBondContact O-N 3.29Å; N62-A65 PolarHBondContact O-N 2.91Å; N62-V66 VanDerWaalsContact O-CG2 3.24Å; N62-V66 WeakPolarHBondContact O-CG2 3.28Å; N62-V66 PolarHBondContact O-N 3.48Å
63	L	92.1	Very high	92.1	Very high	22 Å²	22	57.8 Å²	57.8	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-45.6	177.5	-169.8	78.7	0	0	0	110.9	L33 H60 R61 A65 V66 C67 Y105	L33-L63 HydrophobicContact CD2-CD1 3.72Å; H60-L63 HydrophobicContact CB-CB 4.45Å; H60-L63 PolarHBondContact O-N 3.38Å; R61-L63 PolarHBondContact O-N 2.74Å; L63-A65 VanDerWaalsContact C-N 3.35Å; L63-A65 PolarHBondContact O-N 3.23Å; L63-V66 PolarHBondContact O-N 2.88Å; L63-C67 PolarHBondContact O-N 3.08Å; L63-C67 VanDerWaalsContact O-N 3.08Å; L63-C67 PolarHBondContact O-SG 3.22Å; L63-C67 VanDerWaalsContact O-SG 3.41Å; L63-Y105 HydrophobicContact CD2-CD1 3.59Å; L63-Y105 HydrophobicContact CD2-CD2 3.62Å; L63-Y105 HydrophobicContact CD2-CE1 3.37Å; L63-Y105 HydrophobicContact CD2-CE2 3.38Å; L63-Y105 HydrophobicContact CD2-CG 3.71Å
64	L	92.8	Very high	92.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-44.6	178.1	-67.5	-179.5	0	0	0	111.9	I48 L50 A59 H60 R61 V66 C67 S68 F71 F75 L104	I48-L64 HydrophobicContact CG2-CD1 4.15Å; L50-L64 HydrophobicContact CD1-CD1 3.91Å; L50-L64 HydrophobicContact CG-CD1 4.45Å; A59-L64 HydrophobicContact CB-CD1 3.75Å; A59-L64 HydrophobicContact CB-CD2 4.48Å; A59-L64 HydrophobicContact CB-CG 4.2Å; H60-L64 PolarHBondContact O-N 2.9Å; R61-L64 PolarHBondContact O-N 3.4Å; L64-V66 VanDerWaalsContact C-N 3.34Å; L64-V66 PolarHBondContact O-N 2.85Å; L64-C67 PolarHBondContact O-N 3.31Å; L64-S68 WeakPolarHBondContact O-CB 3.27Å; L64-S68 PolarHBondContact O-N 3.31Å; L64-F71 HydrophobicContact CB-CB 3.96Å; L64-F71 HydrophobicContact CB-CD2 3.73Å; L64-F71 HydrophobicContact CB-CE2 4.37Å; L64-F71 HydrophobicContact CB-CG 3.88Å; L64-F71 HydrophobicContact CD1-CD2 4.35Å; L64-F71 HydrophobicContact CD1-CE1 4.46Å; L64-F71 HydrophobicContact CD1-CE2 4.29Å; L64-F71 HydrophobicContact CD1-CG 4.47Å; L64-F71 HydrophobicContact CD1-CZ 4.35Å; L64-F71 HydrophobicContact CD2-CD2 4.13Å; L64-F71 HydrophobicContact CD2-CE2 3.99Å; L64-F71 HydrophobicContact CG-CD2 4.28Å; L64-F71 HydrophobicContact CG-CE2 4.45Å; L64-F75 HydrophobicContact CB-CE2 4.14Å; L64-L104 HydrophobicContact CD2-CD1 3.66Å
65	A	92.1	Very high	92.1	Very high	16 Å²	16	46.6 Å²	46.6	13%	0.132	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-33.3	177.6	0	0	0	0	0	113.5	R61 N62 L63 N72 F75	R61-A65 WeakPolarHBondContact O-CB 3.38Å; R61-A65 PolarHBondContact O-N 2.79Å; N62-A65 PolarHBondContact O-N 2.91Å; L63-A65 VanDerWaalsContact C-N 3.35Å; L63-A65 PolarHBondContact O-N 3.23Å; A65-N72 HydrophobicContact CB-CB 4.29Å; A65-N72 WeakPolarHBondContact O-CB 3.39Å; A65-F75 HydrophobicContact CB-CD2 4.12Å
66	V	91.8	Very high	91.7	Very high	112 Å²	112	46.8 Å²	46.8	68%	0.679	25%	0.248	S	C	*	.	H	α-helix	trans	-72	-33.6	177	169.7	0	0	0	0	111.4	N62 L63 L64	N62-V66 VanDerWaalsContact O-CG2 3.24Å; N62-V66 WeakPolarHBondContact O-CG2 3.28Å; N62-V66 PolarHBondContact O-N 3.48Å; L63-V66 PolarHBondContact O-N 2.88Å; L64-V66 VanDerWaalsContact C-N 3.34Å; L64-V66 PolarHBondContact O-N 2.85Å
67	C	91.4	Very high	91.1	Very high	51 Å²	51	45 Å²	45	35%	0.345	25%	0.249	S	C	.	.	H	α-helix	trans	-97.6	-9	-173.3	-62.3	0	0	0	0	114.8	L63 L64 L104	L63-C67 PolarHBondContact O-N 3.08Å; L63-C67 VanDerWaalsContact O-N 3.08Å; L63-C67 PolarHBondContact O-SG 3.22Å; L63-C67 VanDerWaalsContact O-SG 3.41Å; L64-C67 PolarHBondContact O-N 3.31Å; C67-L104 HydrophobicContact CB-CD1 4.19Å; C67-L104 HydrophobicContact CB-CD2 3.54Å; C67-L104 HydrophobicContact CB-CG 4.37Å
68	S	94.5	Very high	90	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.021	27%	0.274	C	S	.	.			trans	-145.6	123.6	-175.2	160.9	0	0	0	0	110.9	L64 Y70 F71 N72 L126	L64-S68 WeakPolarHBondContact O-CB 3.27Å; L64-S68 PolarHBondContact O-N 3.31Å; S68-Y70 PolarHBondContact O-N 3.46Å; S68-Y70 PolarHBondContact OG-N 2.8Å; S68-F71 PolarHBondContact O-N 3.43Å; S68-F71 WeakPolarHBondContact OG-CD2 3.2Å; S68-F71 PolarHBondContact OG-N 2.87Å; S68-N72 WeakPolarHBondContact O-CB 3.36Å; S68-N72 PolarHBondContact O-N 2.98Å; S68-L126 WeakPolarHBondContact CB-O 3.5Å; S68-L126 PolarHBondContact OG-O 3Å
69	D	91.6	Very high	89.2	Confident	94 Å²	94	48.8 Å²	48.8	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-64.6	-31.6	176.4	-71.8	-33.9	0	0	0	112.3	N72 S73	D69-N72 PolarHBondContact O-N 3.17Å; D69-S73 VanDerWaalsContact O-CB 3.27Å; D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 3.01Å; D69-S73 PolarHBondContact O-OG 2.82Å
70	Y	92.1	Very high	88.3	Confident	67 Å²	67	58 Å²	58	26%	0.263	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-53.4	173.7	175.7	-93.8	0	0	0	111	S68 S73 M74 L89 L126	S68-Y70 PolarHBondContact O-N 3.46Å; S68-Y70 PolarHBondContact OG-N 2.8Å; Y70-S73 PolarHBondContact O-N 2.87Å; Y70-M74 HydrophobicContact CD1-CE 4.28Å; Y70-M74 HydrophobicContact CE1-CE 3.3Å; Y70-M74 HydrophobicContact CE2-CE 4.49Å; Y70-M74 VanDerWaalsContact CZ-CE 3.43Å; Y70-M74 WeakPolarHBondContact O-CB 3.43Å; Y70-M74 PolarHBondContact O-N 2.7Å; Y70-M74 WeakPolarHBondContact OH-CE 3.4Å; Y70-L89 HydrophobicContact CE1-CD2 4.09Å; Y70-L126 HydrophobicContact CD1-CD2 3.65Å; Y70-L126 HydrophobicContact CE1-CD2 3.78Å; Y70-L126 HydrophobicContact CG-CD2 4.46Å
71	F	92.4	Very high	87.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.9	-36.8	178.6	-72.9	-54.8	0	0	0	112.4	L50 L64 S68 S73 M74 F75 L89 L126	L50-F71 HydrophobicContact CD1-CE1 4.26Å; L50-F71 HydrophobicContact CD1-CE2 4.49Å; L50-F71 HydrophobicContact CD1-CZ 3.72Å; L50-F71 HydrophobicContact CD2-CE1 3.91Å; L50-F71 HydrophobicContact CD2-CZ 4.21Å; L64-F71 HydrophobicContact CB-CB 3.96Å; L64-F71 HydrophobicContact CB-CD2 3.73Å; L64-F71 HydrophobicContact CB-CE2 4.37Å; L64-F71 HydrophobicContact CB-CG 3.88Å; L64-F71 HydrophobicContact CD1-CD2 4.35Å; L64-F71 HydrophobicContact CD1-CE1 4.46Å; L64-F71 HydrophobicContact CD1-CE2 4.29Å; L64-F71 HydrophobicContact CD1-CG 4.47Å; L64-F71 HydrophobicContact CD1-CZ 4.35Å; L64-F71 HydrophobicContact CD2-CD2 4.13Å; L64-F71 HydrophobicContact CD2-CE2 3.99Å; L64-F71 HydrophobicContact CG-CD2 4.28Å; L64-F71 HydrophobicContact CG-CE2 4.45Å; S68-F71 PolarHBondContact O-N 3.43Å; S68-F71 WeakPolarHBondContact OG-CD2 3.2Å; S68-F71 PolarHBondContact OG-N 2.87Å; F71-S73 VanDerWaalsContact C-N 3.32Å; F71-S73 PolarHBondContact O-N 3.41Å; F71-M74 HydrophobicContact CD1-SD 4.29Å; F71-M74 PolarHBondContact O-N 3.11Å; F71-F75 HydrophobicContact CB-CD2 4.39Å; F71-F75 HydrophobicContact CB-CE2 3.85Å; F71-F75 HydrophobicContact CB-CZ 4.2Å; F71-F75 HydrophobicContact CD1-CE1 4.4Å; F71-F75 HydrophobicContact CD1-CE2 4.22Å; F71-F75 AromaticContact CD1-CZ 3.72Å; F71-F75 HydrophobicContact CD1-CZ 3.72Å; F71-F75 HydrophobicContact CG-CE2 4.32Å; F71-F75 HydrophobicContact CG-CZ 4.28Å; F71-F75 VanDerWaalsContact O-CD2 3.25Å; F71-F75 WeakPolarHBondContact O-CD2 3.48Å; F71-F75 WeakPolarHBondContact O-CG 3.34Å; F71-F75 PolarHBondContact O-N 3.1Å; F71-L89 HydrophobicContact CE1-CD2 4.38Å; F71-L89 HydrophobicContact CZ-CD1 4.21Å; F71-L126 HydrophobicContact CE1-CD2 4.15Å; F71-L126 HydrophobicContact CE2-CB 4.48Å; F71-L126 HydrophobicContact CE2-CD1 3.93Å; F71-L126 HydrophobicContact CE2-CD2 3.72Å; F71-L126 HydrophobicContact CE2-CG 4.25Å; F71-L126 HydrophobicContact CZ-CD1 4.09Å; F71-L126 HydrophobicContact CZ-CD2 3.45Å; F71-L126 VanDerWaalsContact CZ-CD2 3.45Å; F71-L126 HydrophobicContact CZ-CG 4.35Å
72	N	91.3	Very high	86.9	Confident	62 Å²	62	59.3 Å²	59.3	33%	0.332	32%	0.323	S	S	.	.	H	α-helix	trans	-56.9	-49.5	174.6	-169	28.1	0	0	0	110.7	A65 S68 D69 F75 T76	A65-N72 HydrophobicContact CB-CB 4.29Å; A65-N72 WeakPolarHBondContact O-CB 3.39Å; S68-N72 WeakPolarHBondContact O-CB 3.36Å; S68-N72 PolarHBondContact O-N 2.98Å; D69-N72 PolarHBondContact O-N 3.17Å; N72-F75 PolarHBondContact O-N 3.09Å; N72-T76 WeakPolarHBondContact O-CB 3.25Å; N72-T76 VanDerWaalsContact O-CG2 3.28Å; N72-T76 WeakPolarHBondContact O-CG2 3.19Å; N72-T76 PolarHBondContact O-N 3.45Å; N72-T76 PolarHBondContact O-OG1 3.4Å
73	S	89.9	Confident	86.3	Confident	42 Å²	42	61.8 Å²	61.8	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-46	177.5	-61	0	0	0	0	111.5	D69 Y70 F71 F75 T76 I77	D69-S73 VanDerWaalsContact O-CB 3.27Å; D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 3.01Å; D69-S73 PolarHBondContact O-OG 2.82Å; Y70-S73 PolarHBondContact O-N 2.87Å; F71-S73 VanDerWaalsContact C-N 3.32Å; F71-S73 PolarHBondContact O-N 3.41Å; S73-F75 VanDerWaalsContact C-N 3.28Å; S73-F75 PolarHBondContact O-N 2.85Å; S73-T76 PolarHBondContact O-N 3.05Å; S73-I77 VanDerWaalsContact O-CB 3.31Å; S73-I77 WeakPolarHBondContact O-CB 3.45Å; S73-I77 WeakPolarHBondContact O-CG1 3.28Å; S73-I77 PolarHBondContact O-N 3.06Å; S73-I77 VanDerWaalsContact O-N 3.08Å
74	M	88.4	Confident	86	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-55.8	-41.2	177.5	-174.2	-176.6	-77.1	0	0	112.7	Y70 F71 M79 E81 V87	Y70-M74 HydrophobicContact CD1-CE 4.28Å; Y70-M74 HydrophobicContact CE1-CE 3.3Å; Y70-M74 HydrophobicContact CE2-CE 4.49Å; Y70-M74 VanDerWaalsContact CZ-CE 3.43Å; Y70-M74 WeakPolarHBondContact O-CB 3.43Å; Y70-M74 PolarHBondContact O-N 2.7Å; Y70-M74 WeakPolarHBondContact OH-CE 3.4Å; F71-M74 HydrophobicContact CD1-SD 4.29Å; F71-M74 PolarHBondContact O-N 3.11Å; M74-M79 VanDerWaalsContact CA-CE 3.43Å; M74-M79 HydrophobicContact CB-CE 4.21Å; M74-M79 HydrophobicContact CB-SD 4.45Å; M74-M79 HydrophobicContact CG-SD 4.34Å; M74-E81 HydrophobicContact CG-CB 3.75Å; M74-E81 HydrophobicContact SD-CB 3.86Å; M74-E81 HydrophobicContact SD-CG 4.4Å; M74-V87 HydrophobicContact CE-CG1 4.29Å; M74-V87 HydrophobicContact SD-CG1 4.02Å
75	F	89.2	Confident	85.7	Confident	33 Å²	33	72 Å²	72	15%	0.145	37%	0.373	C	S	.	.	H	α-helix	trans	-90.5	-21.2	-174.1	-55.7	-24.4	0	0	0	114	I48 R61 L64 A65 F71 N72 S73	I48-F75 HydrophobicContact CD1-CE1 3.64Å; I48-F75 HydrophobicContact CD1-CZ 3.49Å; I48-F75 VanDerWaalsContact CD1-CZ 3.49Å; R61-F75 HydrophobicContact CB-CD2 3.92Å; R61-F75 HydrophobicContact CB-CE2 3.87Å; R61-F75 HydrophobicContact CG-CD2 4.24Å; R61-F75 HydrophobicContact CG-CE2 3.98Å; R61-F75 HydrophobicContact CG-CZ 4.19Å; R61-F75 VanDerWaalsContact NH1-CE1 3.27Å; L64-F75 HydrophobicContact CB-CE2 4.14Å; A65-F75 HydrophobicContact CB-CD2 4.12Å; F71-F75 HydrophobicContact CB-CD2 4.39Å; F71-F75 HydrophobicContact CB-CE2 3.85Å; F71-F75 HydrophobicContact CB-CZ 4.2Å; F71-F75 HydrophobicContact CD1-CE1 4.4Å; F71-F75 HydrophobicContact CD1-CE2 4.22Å; F71-F75 AromaticContact CD1-CZ 3.72Å; F71-F75 HydrophobicContact CD1-CZ 3.72Å; F71-F75 HydrophobicContact CG-CE2 4.32Å; F71-F75 HydrophobicContact CG-CZ 4.28Å; F71-F75 VanDerWaalsContact O-CD2 3.25Å; F71-F75 WeakPolarHBondContact O-CD2 3.48Å; F71-F75 WeakPolarHBondContact O-CG 3.34Å; F71-F75 PolarHBondContact O-N 3.1Å; N72-F75 PolarHBondContact O-N 3.09Å; S73-F75 VanDerWaalsContact C-N 3.28Å; S73-F75 PolarHBondContact O-N 2.85Å
76	T	85.7	Confident	85.6	Confident	94 Å²	94	75.6 Å²	75.6	58%	0.577	39%	0.387	S	S	*	.	H	α-helix	trans	-103	-27.6	-174.3	60	0	0	0	0	114.2	N72 S73 G78	N72-T76 WeakPolarHBondContact O-CB 3.25Å; N72-T76 VanDerWaalsContact O-CG2 3.28Å; N72-T76 WeakPolarHBondContact O-CG2 3.19Å; N72-T76 PolarHBondContact O-N 3.45Å; N72-T76 PolarHBondContact O-OG1 3.4Å; S73-T76 PolarHBondContact O-N 3.05Å; T76-G78 PolarHBondContact O-N 2.96Å
77	I	80.1	Confident	85.5	Confident	119 Å²	119	70.4 Å²	70.4	61%	0.61	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	6.8	-172.2	-56.4	175.9	0	0	0	112.3	S73	S73-I77 VanDerWaalsContact O-CB 3.31Å; S73-I77 WeakPolarHBondContact O-CB 3.45Å; S73-I77 WeakPolarHBondContact O-CG1 3.28Å; S73-I77 PolarHBondContact O-N 3.06Å; S73-I77 VanDerWaalsContact O-N 3.08Å
78	G	70.8	Confident	85.5	Confident	54 Å²	54	74.5 Å²	74.5	56%	0.557	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	27.6	175.9	0	0	0	0	0	114	T76	T76-G78 PolarHBondContact O-N 2.96Å
79	M	77.9	Confident	85.3	Confident	75 Å²	75	74.6 Å²	74.6	37%	0.369	37%	0.37	S	S	.	.			trans	-64.2	161.5	170.8	-51.9	-164.9	-151	0	0	111.2	M74 E81 A82	M74-M79 VanDerWaalsContact CA-CE 3.43Å; M74-M79 HydrophobicContact CB-CE 4.21Å; M74-M79 HydrophobicContact CB-SD 4.45Å; M74-M79 HydrophobicContact CG-SD 4.34Å; M79-E81 VanDerWaalsContact CB-OE2 3.23Å; M79-E81 WeakPolarHBondContact CB-OE2 3.37Å; M79-E81 PolarHBondContact O-N 3.42Å; M79-A82 WeakPolarHBondContact O-CB 3.44Å; M79-A82 PolarHBondContact O-N 3.36Å; M79-A82 VanDerWaalsContact O-N 3.09Å
80	R	75.2	Confident	84.9	Confident	193 Å²	193	77.1 Å²	77.1	73%	0.728	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-62.1	-35.6	-178.7	-173.3	-179.2	178.3	-174.5	-3.6	111.4	A82 F83	R80-A82 PolarHBondContact O-N 3.1Å; R80-F83 PolarHBondContact O-N 2.89Å; R80-F83 VanDerWaalsContact O-N 3.14Å
81	E	78.6	Confident	84.5	Confident	63 Å²	63	75.9 Å²	75.9	29%	0.294	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-62.5	-24.3	178.4	-62.6	73.2	-163.3	0	0	111.9	R61 M74 M79 F83 Q84 V87	R61-E81 PolarHBondContact NH2-O 3.44Å; M74-E81 HydrophobicContact CG-CB 3.75Å; M74-E81 HydrophobicContact SD-CB 3.86Å; M74-E81 HydrophobicContact SD-CG 4.4Å; M79-E81 VanDerWaalsContact CB-OE2 3.23Å; M79-E81 WeakPolarHBondContact CB-OE2 3.37Å; M79-E81 PolarHBondContact O-N 3.42Å; E81-F83 PolarHBondContact O-N 3.41Å; E81-Q84 PolarHBondContact O-N 3Å; E81-V87 HydrophobicContact CB-CG1 4.42Å; E81-V87 HydrophobicContact CB-CG2 4.07Å; E81-V87 HydrophobicContact CG-CG1 4.18Å; E81-V87 HydrophobicContact CG-CG2 4.5Å
82	A	76.8	Confident	84.4	Confident	17 Å²	17	76.2 Å²	76.2	14%	0.14	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-60.7	-27	174.3	0	0	0	0	0	112.3	R61 M79 R80	R61-A82 PolarHBondContact NH1-O 3.03Å; R61-A82 PolarHBondContact NH2-O 3.24Å; M79-A82 WeakPolarHBondContact O-CB 3.44Å; M79-A82 PolarHBondContact O-N 3.36Å; M79-A82 VanDerWaalsContact O-N 3.09Å; R80-A82 PolarHBondContact O-N 3.1Å
83	F	78.4	Confident	84.6	Confident	174 Å²	174	73.9 Å²	73.9	76%	0.763	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-108.2	-1.3	-177.6	-55.1	-74.3	0	0	0	113.9	R80 E81	R80-F83 PolarHBondContact O-N 2.89Å; R80-F83 VanDerWaalsContact O-N 3.14Å; E81-F83 PolarHBondContact O-N 3.41Å
84	Q	85.5	Confident	84.7	Confident	61 Å²	61	74.7 Å²	74.7	29%	0.285	38%	0.378	S	S	.	.			trans	-86.6	143.2	-178.8	-71.7	174.6	-17.4	0	0	111.9	R61 E81 E86 V87	R61-Q84 PolarHBondContact NH2-O 3.39Å; E81-Q84 PolarHBondContact O-N 3Å; Q84-E86 WeakPolarHBondContact CB-O 3.37Å; Q84-V87 HydrophobicContact CB-CG2 4.33Å
85	K	85.3	Confident	85	Confident	176 Å²	176	78.6 Å²	78.6	77%	0.765	40%	0.398	S	S	*	.	S	Bend	trans	-79.7	-23.9	173.4	-72.1	-171.7	176.2	-175.8	0	112.8	V49	V49-K85 PolarHBondContact N-O 3.42Å
86	E	90.8	Very high	85.3	Confident	92 Å²	92	77 Å²	77	43%	0.43	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.6	178.9	-53.6	-165.5	143.4	0	0	108.7	V49 V51 R56 Q84	V49-E86 HydrophobicContact CB-CG 4.24Å; V49-E86 CarbonylContact O-C 3.47Å; V49-E86 VanDerWaalsContact O-CA 3.28Å; V49-E86 WeakPolarHBondContact O-CA 3.32Å; V51-E86 HydrophobicContact CG2-CB 4.45Å; R56-E86 IonicContact CZ-OE1 3.86Å; R56-E86 IonicContact NE-OE1 3.91Å; R56-E86 PolarHBondContact NE-OE1 3.39Å; R56-E86 IonicContact NH2-OE1 2.74Å; R56-E86 PolarHBondContact NH2-OE1 2.75Å; Q84-E86 WeakPolarHBondContact CB-O 3.37Å
87	V	90.6	Very high	85.7	Confident	3 Å²	3	72.6 Å²	72.6	2%	0.018	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.6	179	177.2	0	0	0	0	108	I48 V49 L50 V51 M74 E81 Q84 L89	I48-V87 HydrophobicContact CD1-CB 4.36Å; I48-V87 HydrophobicContact CD1-CG2 3.85Å; I48-V87 HydrophobicContact CG1-CG2 4.36Å; V49-V87 PolarHBondContact O-N 3.04Å; L50-V87 CarbonylContact C-O 3.52Å; L50-V87 WeakPolarHBondContact CA-O 3.47Å; L50-V87 HydrophobicContact CD2-CB 4.37Å; V51-V87 PolarHBondContact N-O 3.37Å; M74-V87 HydrophobicContact CE-CG1 4.29Å; M74-V87 HydrophobicContact SD-CG1 4.02Å; E81-V87 HydrophobicContact CB-CG1 4.42Å; E81-V87 HydrophobicContact CB-CG2 4.07Å; E81-V87 HydrophobicContact CG-CG1 4.18Å; E81-V87 HydrophobicContact CG-CG2 4.5Å; Q84-V87 HydrophobicContact CB-CG2 4.33Å; V87-L89 HydrophobicContact CG1-CD2 4.38Å
88	E	89.9	Confident	86.4	Confident	136 Å²	136	71 Å²	71	64%	0.636	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	124.8	175.9	-170.1	179.7	176.9	0	0	109.8	V51	V51-E88 WeakPolarHBondContact O-CA 3.45Å
89	L	90	Very high	87.6	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	34%	0.335	C	S	.	.			trans	-98.8	93	-179.7	-66.7	175.6	0	0	0	109.4	L50 V51 Y70 F71 V87 G91 A92 L97 L126	L50-L89 HydrophobicContact CB-CD1 4.16Å; L50-L89 HydrophobicContact CD1-CD1 4.16Å; L50-L89 HydrophobicContact CD2-CD1 4.23Å; L50-L89 HydrophobicContact CG-CD1 4.42Å; V51-L89 PolarHBondContact O-N 2.6Å; Y70-L89 HydrophobicContact CE1-CD2 4.09Å; F71-L89 HydrophobicContact CE1-CD2 4.38Å; F71-L89 HydrophobicContact CZ-CD1 4.21Å; V87-L89 HydrophobicContact CG1-CD2 4.38Å; L89-G91 PolarHBondContact O-N 3.4Å; L89-A92 HydrophobicContact CB-CB 4.1Å; L89-A92 PolarHBondContact O-N 3.31Å; L89-L97 HydrophobicContact CD1-CD1 3.53Å; L89-L97 HydrophobicContact CD1-CD2 4.02Å; L89-L97 HydrophobicContact CD1-CG 4.43Å; L89-L126 HydrophobicContact CD1-CD2 4.23Å; L89-L126 HydrophobicContact CD2-CD2 4.44Å
90	I	85.1	Confident	88.4	Confident	147 Å²	147	66 Å²	66	75%	0.754	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	123.9	177.3	-54.9	173.7	0	0	0	108.8
91	G	82.6	Confident	89.3	Confident	42 Å²	42	56.8 Å²	56.8	43%	0.433	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	9.3	-178.7	0	0	0	0	0	114.9	L89	L89-G91 PolarHBondContact O-N 3.4Å
92	A	91.1	Very high	90.1	Very high	7 Å²	7	55.8 Å²	55.8	6%	0.058	28%	0.28	C	S	.	.			trans	-112	136.3	166.9	0	0	0	0	0	109.6	A52 L89 T122 L125	A52-A92 WeakPolarHBondContact CB-O 3.22Å; L89-A92 HydrophobicContact CB-CB 4.1Å; L89-A92 PolarHBondContact O-N 3.31Å; A92-T122 HydrophobicContact CB-CG2 3.99Å; A92-L125 HydrophobicContact CB-CD2 4.1Å
93	S	94.1	Very high	90.9	Very high	13 Å²	13	56.1 Å²	56.1	9%	0.091	28%	0.278	C	S	.	.			trans	-83.8	155.8	169.7	80.4	0	0	0	0	110.8	D53 I95 G96 L97 Y118	D53-S93 VanDerWaalsContact OD2-CA 3.3Å; D53-S93 WeakPolarHBondContact OD2-CA 3.31Å; S93-I95 PolarHBondContact O-N 3.38Å; S93-G96 PolarHBondContact O-N 3.22Å; S93-G96 PolarHBondContact OG-N 3.11Å; S93-L97 VanDerWaalsContact O-CB 3.29Å; S93-L97 WeakPolarHBondContact O-CB 3.26Å; S93-L97 PolarHBondContact O-N 3Å; S93-Y118 VanDerWaalsContact OG-CB 3.31Å; S93-Y118 WeakPolarHBondContact OG-CB 3.29Å; S93-Y118 VanDerWaalsContact OG-CD1 3.29Å; S93-Y118 WeakPolarHBondContact OG-CD1 3.48Å
94	Y	93.8	Very high	91.6	Very high	58 Å²	58	48.5 Å²	48.5	23%	0.227	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-37.4	176.3	171.5	-105	0	0	0	112.4	D53 Q55 V57 K98	D53-Y94 PolarHBondContact OD2-N 3.34Å; Q55-Y94 HydrophobicContact CB-CD1 4.44Å; Q55-Y94 HydrophobicContact CB-CD2 3.27Å; Q55-Y94 HydrophobicContact CB-CE2 3.64Å; Q55-Y94 HydrophobicContact CB-CG 3.7Å; Q55-Y94 HydrophobicContact CG-CD2 4.18Å; Q55-Y94 HydrophobicContact CG-CE2 4.5Å; Q55-Y94 HydrophobicContact CG-CG 4.17Å; V57-Y94 HydrophobicContact CG2-CD2 3.97Å; V57-Y94 HydrophobicContact CG2-CE2 3.7Å; Y94-K98 HydrophobicContact CE1-CD 4.18Å; Y94-K98 HydrophobicContact CE2-CB 4.42Å; Y94-K98 WeakPolarHBondContact O-CB 3.31Å; Y94-K98 PolarHBondContact O-N 2.83Å
95	I	94.3	Very high	92	Very high	89 Å²	89	45.7 Å²	45.7	46%	0.456	23%	0.232	S	C	.	.	H	α-helix	trans	-63.1	-50.2	-179.5	-61.4	172.7	0	0	0	110	S93 A99 N115 Y118	S93-I95 PolarHBondContact O-N 3.38Å; I95-A99 WeakPolarHBondContact O-CB 3.4Å; I95-A99 PolarHBondContact O-N 3.34Å; I95-A99 VanDerWaalsContact O-N 3.08Å; I95-N115 HydrophobicContact CG2-CB 4.19Å; I95-Y118 HydrophobicContact CB-CD2 4.47Å; I95-Y118 HydrophobicContact CD1-CD2 4.38Å; I95-Y118 HydrophobicContact CD1-CE2 4.36Å; I95-Y118 HydrophobicContact CG2-CD2 4.4Å
96	G	94.3	Very high	92.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-46.7	178.5	0	0	0	0	0	111.8	S93 K98 A99 V100 Y118	S93-G96 PolarHBondContact O-N 3.22Å; S93-G96 PolarHBondContact OG-N 3.11Å; G96-K98 PolarHBondContact O-N 3.44Å; G96-A99 PolarHBondContact O-N 3.31Å; G96-V100 WeakPolarHBondContact O-CB 3.26Å; G96-V100 VanDerWaalsContact O-CG2 3.27Å; G96-V100 WeakPolarHBondContact O-CG2 3.4Å; G96-V100 PolarHBondContact O-N 2.93Å; G96-Y118 WeakPolarHBondContact CA-O 3.39Å
97	L	95.1	Very high	92.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-45.7	179.6	-177.9	62.9	0	0	0	112.3	L50 A52 V57 L89 S93 V101 T122 L126	L50-L97 HydrophobicContact CB-CD2 3.88Å; L50-L97 HydrophobicContact CD1-CD1 4.01Å; A52-L97 HydrophobicContact CB-CB 4.38Å; A52-L97 HydrophobicContact CB-CD2 3.64Å; V57-L97 HydrophobicContact CB-CD2 4.41Å; V57-L97 HydrophobicContact CG2-CD2 4.1Å; V57-L97 HydrophobicContact CG2-CG 4.34Å; L89-L97 HydrophobicContact CD1-CD1 3.53Å; L89-L97 HydrophobicContact CD1-CD2 4.02Å; L89-L97 HydrophobicContact CD1-CG 4.43Å; S93-L97 VanDerWaalsContact O-CB 3.29Å; S93-L97 WeakPolarHBondContact O-CB 3.26Å; S93-L97 PolarHBondContact O-N 3Å; L97-V101 HydrophobicContact CD1-CG2 4.07Å; L97-V101 HydrophobicContact CG-CG2 4.48Å; L97-V101 WeakPolarHBondContact O-CB 3.39Å; L97-V101 VanDerWaalsContact O-CG2 3.26Å; L97-V101 WeakPolarHBondContact O-CG2 3.15Å; L97-V101 PolarHBondContact O-N 3.44Å; L97-T122 HydrophobicContact CB-CG2 4.29Å; L97-T122 HydrophobicContact CD1-CG2 4.36Å; L97-L126 HydrophobicContact CD1-CD1 4.03Å
98	K	94.4	Very high	92.1	Very high	87 Å²	87	45.3 Å²	45.3	38%	0.378	26%	0.259	S	S	.	.	H	α-helix	trans	-62.6	-47	178.2	-177.1	-175.6	177.6	-60.5	0	111	Y94 G96 V101 D102	Y94-K98 HydrophobicContact CE1-CD 4.18Å; Y94-K98 HydrophobicContact CE2-CB 4.42Å; Y94-K98 WeakPolarHBondContact O-CB 3.31Å; Y94-K98 PolarHBondContact O-N 2.83Å; G96-K98 PolarHBondContact O-N 3.44Å; K98-V101 PolarHBondContact O-N 2.88Å; K98-D102 IonicContact NZ-OD2 3.88Å; K98-D102 PolarHBondContact NZ-OD2 3.31Å; K98-D102 VanDerWaalsContact O-CB 3.26Å; K98-D102 WeakPolarHBondContact O-CB 3.38Å; K98-D102 PolarHBondContact O-N 2.81Å
99	A	95.1	Very high	92.3	Very high	23 Å²	23	40.5 Å²	40.5	19%	0.19	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-45.1	-179.6	0	0	0	0	0	112	I95 G96 D102 F103 L109 V119	I95-A99 WeakPolarHBondContact O-CB 3.4Å; I95-A99 PolarHBondContact O-N 3.34Å; I95-A99 VanDerWaalsContact O-N 3.08Å; G96-A99 PolarHBondContact O-N 3.31Å; A99-D102 PolarHBondContact O-N 3.16Å; A99-F103 WeakPolarHBondContact O-CB 3.32Å; A99-F103 PolarHBondContact O-N 3.45Å; A99-L109 HydrophobicContact CB-CD1 4.49Å; A99-V119 HydrophobicContact CB-CG2 3.82Å
100	V	96.1	Very high	92.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-46.6	177.9	171.5	0	0	0	0	111.1	G96 F103 L104 V119 T122 A123 L126 I128 V131	G96-V100 WeakPolarHBondContact O-CB 3.26Å; G96-V100 VanDerWaalsContact O-CG2 3.27Å; G96-V100 WeakPolarHBondContact O-CG2 3.4Å; G96-V100 PolarHBondContact O-N 2.93Å; V100-F103 WeakPolarHBondContact O-CB 3.19Å; V100-F103 PolarHBondContact O-N 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.49Å; V100-L104 PolarHBondContact O-N 2.66Å; V100-V119 HydrophobicContact CG2-CG1 4.27Å; V100-T122 HydrophobicContact CB-CG2 4.5Å; V100-T122 HydrophobicContact CG2-CG2 4.2Å; V100-A123 HydrophobicContact CG2-CB 4.24Å; V100-L126 HydrophobicContact CG1-CD1 4.14Å; V100-I128 HydrophobicContact CG1-CD1 3.29Å; V100-V131 HydrophobicContact CG2-CG1 4.35Å
101	V	94.3	Very high	92.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-44.2	177.6	172.8	0	0	0	0	110.8	L50 V57 L97 K98 F103 L104 Y105	L50-V101 HydrophobicContact CD1-CG2 4.19Å; V57-V101 HydrophobicContact CG1-CB 4.19Å; V57-V101 HydrophobicContact CG1-CG1 4.01Å; V57-V101 HydrophobicContact CG1-CG2 4.24Å; L97-V101 HydrophobicContact CD1-CG2 4.07Å; L97-V101 HydrophobicContact CG-CG2 4.48Å; L97-V101 WeakPolarHBondContact O-CB 3.39Å; L97-V101 VanDerWaalsContact O-CG2 3.26Å; L97-V101 WeakPolarHBondContact O-CG2 3.15Å; L97-V101 PolarHBondContact O-N 3.44Å; K98-V101 PolarHBondContact O-N 2.88Å; V101-F103 PolarHBondContact O-N 2.8Å; V101-L104 PolarHBondContact O-N 3.47Å; V101-L104 VanDerWaalsContact O-N 3.11Å; V101-Y105 HydrophobicContact CG1-CD2 4.11Å; V101-Y105 HydrophobicContact CG1-CE2 4.01Å; V101-Y105 VanDerWaalsContact O-CD2 3.31Å; V101-Y105 WeakPolarHBondContact O-CD2 3.36Å; V101-Y105 PolarHBondContact O-N 3.32Å
102	D	93.8	Very high	93.4	Very high	42 Å²	42	41.5 Å²	41.5	23%	0.225	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-38.8	176.7	-72.5	-16	0	0	0	111.3	R40 K98 A99 Y105 G106	R40-D102 IonicContact CZ-OD1 3.18Å; R40-D102 VanDerWaalsContact CZ-OD1 3.31Å; R40-D102 IonicContact NH1-OD1 3.7Å; R40-D102 PolarHBondContact NH1-OD1 3.05Å; R40-D102 VanDerWaalsContact NH1-OD1 3.11Å; R40-D102 IonicContact NH2-OD1 2.63Å; R40-D102 PolarHBondContact NH2-OD1 3.2Å; K98-D102 IonicContact NZ-OD2 3.88Å; K98-D102 PolarHBondContact NZ-OD2 3.31Å; K98-D102 VanDerWaalsContact O-CB 3.26Å; K98-D102 WeakPolarHBondContact O-CB 3.38Å; K98-D102 PolarHBondContact O-N 2.81Å; A99-D102 PolarHBondContact O-N 3.16Å; D102-Y105 PolarHBondContact O-N 3.39Å; D102-G106 PolarHBondContact O-N 3Å
103	F	95	Very high	93.1	Very high	23 Å²	23	43.9 Å²	43.9	10%	0.101	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-44	172.4	167.7	-100.7	0	0	0	112.7	A99 V100 V101 Y105 G106 G107 L109 I128 T130 V131 F134	A99-F103 WeakPolarHBondContact O-CB 3.32Å; A99-F103 PolarHBondContact O-N 3.45Å; V100-F103 WeakPolarHBondContact O-CB 3.19Å; V100-F103 PolarHBondContact O-N 3.28Å; V101-F103 PolarHBondContact O-N 2.8Å; F103-Y105 PolarHBondContact O-N 2.91Å; F103-Y105 VanDerWaalsContact O-N 3.16Å; F103-G106 PolarHBondContact O-N 3.38Å; F103-G107 WeakPolarHBondContact O-CA 3.27Å; F103-G107 PolarHBondContact O-N 2.89Å; F103-L109 HydrophobicContact CB-CB 4.44Å; F103-L109 HydrophobicContact CB-CD1 4.1Å; F103-L109 HydrophobicContact CD2-CB 3.8Å; F103-L109 HydrophobicContact CE2-CB 4.47Å; F103-L109 HydrophobicContact CG-CB 4.34Å; F103-I128 HydrophobicContact CE1-CG2 4.49Å; F103-T130 HydrophobicContact CZ-CG2 4.3Å; F103-V131 HydrophobicContact CD1-CG2 3.23Å; F103-V131 HydrophobicContact CE1-CG2 3.31Å; F103-V131 HydrophobicContact CG-CG2 3.98Å; F103-V131 HydrophobicContact CZ-CG2 4.11Å; F103-F134 HydrophobicContact CE2-CD2 4.31Å; F103-F134 AromaticContact CE2-CE2 3.76Å; F103-F134 HydrophobicContact CE2-CE2 3.76Å; F103-F134 HydrophobicContact CZ-CD2 4.46Å; F103-F134 AromaticContact CZ-CE2 3.9Å; F103-F134 HydrophobicContact CZ-CE2 3.9Å
104	L	93.5	Very high	92.9	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.073	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-28.9	179	-67.7	-175.1	0	0	0	113.3	L64 C67 V100 V101 I128	L64-L104 HydrophobicContact CD2-CD1 3.66Å; C67-L104 HydrophobicContact CB-CD1 4.19Å; C67-L104 HydrophobicContact CB-CD2 3.54Å; C67-L104 HydrophobicContact CB-CG 4.37Å; V100-L104 WeakPolarHBondContact O-CG 3.49Å; V100-L104 PolarHBondContact O-N 2.66Å; V101-L104 PolarHBondContact O-N 3.47Å; V101-L104 VanDerWaalsContact O-N 3.11Å; L104-I128 HydrophobicContact CD1-CD1 3.95Å; L104-I128 HydrophobicContact CD2-CD1 4.07Å; L104-I128 HydrophobicContact CD2-CG2 4.26Å; L104-I128 HydrophobicContact CG-CD1 4.27Å
105	Y	92.3	Very high	92.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-93.7	-35.2	177.4	-77.6	-94.9	0	0	0	113.5	L36 N37 R40 H60 L63 V101 D102 F103	L36-Y105 HydrophobicContact CB-CD1 4.14Å; L36-Y105 HydrophobicContact CB-CE1 4.09Å; N37-Y105 HydrophobicContact CB-CD1 4.06Å; N37-Y105 HydrophobicContact CB-CG 4.33Å; R40-Y105 HydrophobicContact CB-CE1 4.21Å; H60-Y105 WeakPolarHBondContact CB-OH 3.46Å; H60-Y105 PolarHBondContact N-OH 2.7Å; H60-Y105 AromaticContact ND1-CE1 3.54Å; H60-Y105 AromaticContact ND1-CZ 3.57Å; H60-Y105 PolarHBondContact ND1-OH 3.07Å; L63-Y105 HydrophobicContact CD2-CD1 3.59Å; L63-Y105 HydrophobicContact CD2-CD2 3.62Å; L63-Y105 HydrophobicContact CD2-CE1 3.37Å; L63-Y105 HydrophobicContact CD2-CE2 3.38Å; L63-Y105 HydrophobicContact CD2-CG 3.71Å; V101-Y105 HydrophobicContact CG1-CD2 4.11Å; V101-Y105 HydrophobicContact CG1-CE2 4.01Å; V101-Y105 VanDerWaalsContact O-CD2 3.31Å; V101-Y105 WeakPolarHBondContact O-CD2 3.36Å; V101-Y105 PolarHBondContact O-N 3.32Å; D102-Y105 PolarHBondContact O-N 3.39Å; F103-Y105 PolarHBondContact O-N 2.91Å; F103-Y105 VanDerWaalsContact O-N 3.16Å
106	G	89.3	Confident	92.9	Very high	45 Å²	45	40.1 Å²	40.1	46%	0.464	26%	0.26	S	S	.	.	H	α-helix	trans	-97.3	-25.3	-171.8	0	0	0	0	0	114.7	D102 F103 E108	D102-G106 PolarHBondContact O-N 3Å; F103-G106 PolarHBondContact O-N 3.38Å; G106-E108 PolarHBondContact O-N 3.48Å
107	G	88.9	Confident	92.7	Very high	54 Å²	54	42.6 Å²	42.6	56%	0.557	27%	0.273	S	S	*	.	S	Bend	trans	72.8	2.2	-171.2	0	0	0	0	0	114.5	F103	F103-G107 WeakPolarHBondContact O-CA 3.27Å; F103-G107 PolarHBondContact O-N 2.89Å
108	E	90.9	Very high	92.7	Very high	164 Å²	164	47.3 Å²	47.3	77%	0.766	29%	0.291	S	S	*	.			trans	-112.9	133.9	179.8	-66.2	-179.1	174.8	0	0	110	G106	G106-E108 PolarHBondContact O-N 3.48Å
109	L	94.8	Very high	92.7	Very high	35 Å²	35	43.1 Å²	43.1	18%	0.183	27%	0.273	C	S	.	.			trans	-125.8	124.8	177.7	-176.7	70.8	0	0	0	109	A99 F103 L111 V119 V131 F134	A99-L109 HydrophobicContact CB-CD1 4.49Å; F103-L109 HydrophobicContact CB-CB 4.44Å; F103-L109 HydrophobicContact CB-CD1 4.1Å; F103-L109 HydrophobicContact CD2-CB 3.8Å; F103-L109 HydrophobicContact CE2-CB 4.47Å; F103-L109 HydrophobicContact CG-CB 4.34Å; L109-L111 HydrophobicContact CD1-CD2 4.46Å; L109-L111 HydrophobicContact CD2-CD1 4.01Å; L109-L111 HydrophobicContact CD2-CD2 3.86Å; L109-L111 HydrophobicContact CD2-CG 3.92Å; L109-L111 HydrophobicContact CG-CD2 3.99Å; L109-L111 HydrophobicContact CG-CG 4.03Å; L109-V119 HydrophobicContact CD1-CG1 4.17Å; L109-V131 HydrophobicContact CD2-CG1 3.75Å; L109-F134 HydrophobicContact CD2-CB 4.06Å; L109-F134 HydrophobicContact CD2-CD2 4.14Å
110	V	93.1	Very high	92.7	Very high	110 Å²	110	42 Å²	42	67%	0.667	26%	0.264	S	S	*	.			trans	-102.5	114.5	177.3	-178.8	0	0	0	0	108.3	N115	V110-N115 PolarHBondContact O-ND2 3.42Å
111	L	94.1	Very high	92.6	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.178	28%	0.28	C	S	.	.			trans	-109.9	137.5	179.3	-64.7	177.7	0	0	0	110.8	L109 N115 I116 V119 F134 Y138	L109-L111 HydrophobicContact CD1-CD2 4.46Å; L109-L111 HydrophobicContact CD2-CD1 4.01Å; L109-L111 HydrophobicContact CD2-CD2 3.86Å; L109-L111 HydrophobicContact CD2-CG 3.92Å; L109-L111 HydrophobicContact CG-CD2 3.99Å; L109-L111 HydrophobicContact CG-CG 4.03Å; L111-N115 WeakPolarHBondContact CA-OD1 3.31Å; L111-I116 HydrophobicContact CD1-CD1 4.15Å; L111-I116 HydrophobicContact CD2-CD1 3.99Å; L111-I116 HydrophobicContact CG-CD1 4.49Å; L111-V119 HydrophobicContact CD2-CB 4.16Å; L111-V119 HydrophobicContact CD2-CG1 3.86Å; L111-V119 HydrophobicContact CD2-CG2 4.33Å; L111-F134 HydrophobicContact CD1-CB 4.4Å; L111-Y138 HydrophobicContact CB-CD1 4.39Å; L111-Y138 HydrophobicContact CB-CD2 4.25Å; L111-Y138 HydrophobicContact CB-CG 4.12Å; L111-Y138 HydrophobicContact CD1-CG 4.34Å
112	D	92.8	Very high	92.7	Very high	71 Å²	71	45.5 Å²	45.5	38%	0.38	28%	0.28	S	S	.	.			trans	-148.2	166.2	173.5	63.7	54.3	0	0	0	110.6	G114 N115 I116	D112-G114 PolarHBondContact O-N 3.43Å; D112-G114 VanDerWaalsContact O-N 3.08Å; D112-G114 WeakPolarHBondContact OD1-CA 3.29Å; D112-G114 PolarHBondContact OD1-N 2.95Å; D112-N115 VanDerWaalsContact CG-ND2 3.25Å; D112-N115 PolarHBondContact N-ND2 3.07Å; D112-N115 PolarHBondContact N-OD1 3.03Å; D112-N115 PolarHBondContact O-N 3.42Å; D112-N115 VanDerWaalsContact O-N 3.1Å; D112-N115 PolarHBondContact O-OD1 2.83Å; D112-N115 PolarHBondContact OD1-N 3.45Å; D112-N115 PolarHBondContact OD1-ND2 3.2Å; D112-N115 PolarHBondContact OD2-ND2 3.28Å; D112-I116 WeakPolarHBondContact O-CB 3.3Å; D112-I116 PolarHBondContact O-N 2.77Å
113	G	86.2	Confident	92.7	Very high	58 Å²	58	43.5 Å²	43.5	60%	0.598	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.4	-179	0	0	0	0	0	115.3	Y138	G113-Y138 PolarHBondContact N-OH 2.93Å
114	G	89.2	Confident	92.7	Very high	52 Å²	52	45.1 Å²	45.1	54%	0.536	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-19.7	174.5	0	0	0	0	0	113.6	D112 Y118	D112-G114 PolarHBondContact O-N 3.43Å; D112-G114 VanDerWaalsContact O-N 3.08Å; D112-G114 WeakPolarHBondContact OD1-CA 3.29Å; D112-G114 PolarHBondContact OD1-N 2.95Å; G114-Y118 WeakPolarHBondContact O-CE2 3.39Å
115	N	93.3	Very high	92.7	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.102	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-19.1	-175.3	78.2	26.5	0	0	0	114.3	I95 V110 L111 D112 D117 Y118 V119	I95-N115 HydrophobicContact CG2-CB 4.19Å; V110-N115 PolarHBondContact O-ND2 3.42Å; L111-N115 WeakPolarHBondContact CA-OD1 3.31Å; D112-N115 VanDerWaalsContact CG-ND2 3.25Å; D112-N115 PolarHBondContact N-ND2 3.07Å; D112-N115 PolarHBondContact N-OD1 3.03Å; D112-N115 PolarHBondContact O-N 3.42Å; D112-N115 VanDerWaalsContact O-N 3.1Å; D112-N115 PolarHBondContact O-OD1 2.83Å; D112-N115 PolarHBondContact OD1-N 3.45Å; D112-N115 PolarHBondContact OD1-ND2 3.2Å; D112-N115 PolarHBondContact OD2-ND2 3.28Å; N115-D117 PolarHBondContact O-N 2.91Å; N115-Y118 PolarHBondContact O-N 3.36Å; N115-V119 HydrophobicContact CB-CG2 4.46Å; N115-V119 WeakPolarHBondContact O-CG2 3.42Å; N115-V119 PolarHBondContact O-N 3.31Å
116	I	93.6	Very high	92.8	Very high	9 Å²	9	47 Å²	47	5%	0.046	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-44.4	-168.4	-174.5	59.5	0	0	0	113.7	L111 D112 Y118 V119 L120 C135 Y138 L139	L111-I116 HydrophobicContact CD1-CD1 4.15Å; L111-I116 HydrophobicContact CD2-CD1 3.99Å; L111-I116 HydrophobicContact CG-CD1 4.49Å; D112-I116 WeakPolarHBondContact O-CB 3.3Å; D112-I116 PolarHBondContact O-N 2.77Å; I116-Y118 PolarHBondContact O-N 3.23Å; I116-V119 PolarHBondContact O-N 2.87Å; I116-L120 VanDerWaalsContact O-CB 3.29Å; I116-L120 WeakPolarHBondContact O-CB 3.4Å; I116-L120 PolarHBondContact O-N 2.93Å; I116-C135 HydrophobicContact CD1-CB 3.72Å; I116-Y138 HydrophobicContact CB-CD1 4.49Å; I116-Y138 HydrophobicContact CB-CE1 4.37Å; I116-Y138 HydrophobicContact CD1-CD1 3.88Å; I116-Y138 HydrophobicContact CG1-CD1 4.02Å; I116-Y138 HydrophobicContact CG1-CE1 4.34Å; I116-L139 HydrophobicContact CD1-CG 4.44Å; I116-L139 HydrophobicContact CG1-CD1 4.45Å; I116-L139 HydrophobicContact CG1-CD2 3.76Å; I116-L139 HydrophobicContact CG1-CG 4.1Å
117	D	91.9	Very high	93	Very high	52 Å²	52	48.5 Å²	48.5	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-45.1	-177.7	-57.2	-44.7	0	0	0	110.8	N115 L120 E121 Y150	N115-D117 PolarHBondContact O-N 2.91Å; D117-L120 PolarHBondContact O-N 2.92Å; D117-E121 VanDerWaalsContact O-CB 3.32Å; D117-E121 WeakPolarHBondContact O-CB 3.28Å; D117-E121 PolarHBondContact O-N 3.08Å; D117-Y150 PolarHBondContact OD1-OH 2.86Å; D117-Y150 PolarHBondContact OD2-OH 3.37Å
118	Y	94.1	Very high	93.3	Very high	99 Å²	99	46.2 Å²	46.2	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-64.3	-41.9	178.3	-60	-58.7	0	0	0	112.6	S93 I95 G96 G114 N115 I116 T122	S93-Y118 VanDerWaalsContact OG-CB 3.31Å; S93-Y118 WeakPolarHBondContact OG-CB 3.29Å; S93-Y118 VanDerWaalsContact OG-CD1 3.29Å; S93-Y118 WeakPolarHBondContact OG-CD1 3.48Å; I95-Y118 HydrophobicContact CB-CD2 4.47Å; I95-Y118 HydrophobicContact CD1-CD2 4.38Å; I95-Y118 HydrophobicContact CD1-CE2 4.36Å; I95-Y118 HydrophobicContact CG2-CD2 4.4Å; G96-Y118 WeakPolarHBondContact CA-O 3.39Å; G114-Y118 WeakPolarHBondContact O-CE2 3.39Å; N115-Y118 PolarHBondContact O-N 3.36Å; I116-Y118 PolarHBondContact O-N 3.23Å; Y118-T122 WeakPolarHBondContact O-CB 3.36Å; Y118-T122 PolarHBondContact O-N 3.36Å; Y118-T122 PolarHBondContact O-OG1 3.35Å
119	V	95.5	Very high	93.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.2	-44.4	179.6	175.8	0	0	0	0	110.1	A99 V100 L109 L111 N115 I116 T122 A123 V131	A99-V119 HydrophobicContact CB-CG2 3.82Å; V100-V119 HydrophobicContact CG2-CG1 4.27Å; L109-V119 HydrophobicContact CD1-CG1 4.17Å; L111-V119 HydrophobicContact CD2-CB 4.16Å; L111-V119 HydrophobicContact CD2-CG1 3.86Å; L111-V119 HydrophobicContact CD2-CG2 4.33Å; N115-V119 HydrophobicContact CB-CG2 4.46Å; N115-V119 WeakPolarHBondContact O-CG2 3.42Å; N115-V119 PolarHBondContact O-N 3.31Å; I116-V119 PolarHBondContact O-N 2.87Å; V119-T122 PolarHBondContact O-N 3.26Å; V119-A123 WeakPolarHBondContact O-CB 3.32Å; V119-A123 PolarHBondContact O-N 2.85Å; V119-V131 HydrophobicContact CG1-CG1 3.78Å
120	L	94.6	Very high	93.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-48	178.1	178	64.5	0	0	0	111.8	I116 D117 T122 A123 H124 V132 C135 L139 L154 Y158 L160	I116-L120 VanDerWaalsContact O-CB 3.29Å; I116-L120 WeakPolarHBondContact O-CB 3.4Å; I116-L120 PolarHBondContact O-N 2.93Å; D117-L120 PolarHBondContact O-N 2.92Å; L120-T122 VanDerWaalsContact C-N 3.32Å; L120-T122 PolarHBondContact O-N 2.93Å; L120-A123 PolarHBondContact O-N 3.31Å; L120-H124 VanDerWaalsContact O-CB 3.28Å; L120-H124 WeakPolarHBondContact O-CB 3.42Å; L120-H124 PolarHBondContact O-N 3.47Å; L120-V132 HydrophobicContact CD1-CB 4.5Å; L120-V132 HydrophobicContact CD1-CG1 4.01Å; L120-V132 HydrophobicContact CD1-CG2 4.43Å; L120-C135 HydrophobicContact CB-CB 4.39Å; L120-C135 HydrophobicContact CD1-CB 3.93Å; L120-L139 HydrophobicContact CD2-CD1 4.47Å; L120-L154 HydrophobicContact CD2-CD1 4.31Å; L120-L154 HydrophobicContact CD2-CD2 3.35Å; L120-L154 HydrophobicContact CD2-CG 4.05Å; L120-Y158 HydrophobicContact CD2-CD2 3.73Å; L120-Y158 HydrophobicContact CD2-CE2 4.01Å; L120-Y158 HydrophobicContact CD2-CG 4.38Å; L120-Y158 HydrophobicContact CG-CD2 4.19Å; L120-Y158 HydrophobicContact CG-CE2 4.36Å; L120-Y158 HydrophobicContact CG-CG 4.47Å; L120-L160 HydrophobicContact CD1-CD1 4.17Å; L120-L160 HydrophobicContact CD2-CD1 3.99Å
121	E	94.1	Very high	93.6	Very high	72 Å²	72	41.3 Å²	41.3	34%	0.336	23%	0.226	S	C	.	.	H	α-helix	trans	-55.4	-49.7	176.6	-175.4	178.2	-168.1	0	0	110.7	D117 H124 L125 Y158	D117-E121 VanDerWaalsContact O-CB 3.32Å; D117-E121 WeakPolarHBondContact O-CB 3.28Å; D117-E121 PolarHBondContact O-N 3.08Å; E121-H124 PolarHBondContact O-N 3.39Å; E121-L125 WeakPolarHBondContact O-CB 3.29Å; E121-L125 PolarHBondContact O-N 3.22Å; E121-Y158 HydrophobicContact CB-CE1 4.4Å; E121-Y158 WeakPolarHBondContact CB-OH 3.5Å; E121-Y158 HydrophobicContact CG-CE1 4.49Å
122	T	95.2	Very high	93.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-42	-178.4	-54.3	0	0	0	0	112	A92 L97 V100 Y118 V119 L120 H124 L125 L126	A92-T122 HydrophobicContact CB-CG2 3.99Å; L97-T122 HydrophobicContact CB-CG2 4.29Å; L97-T122 HydrophobicContact CD1-CG2 4.36Å; V100-T122 HydrophobicContact CB-CG2 4.5Å; V100-T122 HydrophobicContact CG2-CG2 4.2Å; Y118-T122 WeakPolarHBondContact O-CB 3.36Å; Y118-T122 PolarHBondContact O-N 3.36Å; Y118-T122 PolarHBondContact O-OG1 3.35Å; V119-T122 PolarHBondContact O-N 3.26Å; L120-T122 VanDerWaalsContact C-N 3.32Å; L120-T122 PolarHBondContact O-N 2.93Å; T122-H124 VanDerWaalsContact C-N 3.33Å; T122-H124 PolarHBondContact O-N 3.17Å; T122-L125 PolarHBondContact O-N 3.29Å; T122-L126 HydrophobicContact CG2-CD1 3.66Å; T122-L126 HydrophobicContact CG2-CG 4.19Å; T122-L126 VanDerWaalsContact O-CB 3.31Å; T122-L126 WeakPolarHBondContact O-CB 3.38Å; T122-L126 VanDerWaalsContact O-CG 3.22Å; T122-L126 WeakPolarHBondContact O-CG 3.43Å; T122-L126 PolarHBondContact O-N 3.44Å
123	A	95.2	Very high	93.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-38.6	178.5	0	0	0	0	0	112	V100 V119 L120 Q127 I128 V131 V132	V100-A123 HydrophobicContact CG2-CB 4.24Å; V119-A123 WeakPolarHBondContact O-CB 3.32Å; V119-A123 PolarHBondContact O-N 2.85Å; L120-A123 PolarHBondContact O-N 3.31Å; A123-Q127 PolarHBondContact O-N 3.22Å; A123-I128 PolarHBondContact O-N 3.19Å; A123-V131 HydrophobicContact CB-CB 3.77Å; A123-V131 HydrophobicContact CB-CG1 3.46Å; A123-V131 VanDerWaalsContact CB-CG1 3.46Å; A123-V132 HydrophobicContact CB-CG2 3.9Å
124	H	93.8	Very high	94.1	Very high	58 Å²	58	41.3 Å²	41.3	27%	0.269	21%	0.209	S	C	.	.	H	α-helix	trans	-66.4	-48.3	175.8	-169	88	0	0	0	111.2	L120 E121 T122 L126 Q127 W129 Y158	L120-H124 VanDerWaalsContact O-CB 3.28Å; L120-H124 WeakPolarHBondContact O-CB 3.42Å; L120-H124 PolarHBondContact O-N 3.47Å; E121-H124 PolarHBondContact O-N 3.39Å; T122-H124 VanDerWaalsContact C-N 3.33Å; T122-H124 PolarHBondContact O-N 3.17Å; H124-L126 VanDerWaalsContact C-N 3.31Å; H124-L126 PolarHBondContact O-N 3.38Å; H124-Q127 PolarHBondContact O-N 3.47Å; H124-Q127 VanDerWaalsContact O-N 3.07Å; H124-W129 AromaticContact ND1-CZ3 3.92Å; H124-Y158 HydrophobicContact CB-CD1 4.02Å; H124-Y158 HydrophobicContact CB-CE1 4.46Å; H124-Y158 AromaticContact CD2-CD1 3.98Å; H124-Y158 PolarHBondContact CE1-O 2.91Å; H124-Y158 VanDerWaalsContact CE1-O 3.26Å; H124-Y158 AromaticContact CG-CD1 3.82Å
125	L	94	Very high	94.4	Very high	56 Å²	56	38.8 Å²	38.8	29%	0.293	18%	0.183	S	C	.	.	H	α-helix	trans	-56.3	-45.7	176.1	178.2	65.5	0	0	0	111.8	A92 E121 T122 Q127	A92-L125 HydrophobicContact CB-CD2 4.1Å; E121-L125 WeakPolarHBondContact O-CB 3.29Å; E121-L125 PolarHBondContact O-N 3.22Å; T122-L125 PolarHBondContact O-N 3.29Å; L125-Q127 PolarHBondContact O-N 2.88Å
126	L	94.2	Very high	94.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	1.8	-179.3	-60.7	-179.9	0	0	0	113.4	S68 Y70 F71 L89 L97 V100 T122 H124 I128	S68-L126 WeakPolarHBondContact CB-O 3.5Å; S68-L126 PolarHBondContact OG-O 3Å; Y70-L126 HydrophobicContact CD1-CD2 3.65Å; Y70-L126 HydrophobicContact CE1-CD2 3.78Å; Y70-L126 HydrophobicContact CG-CD2 4.46Å; F71-L126 HydrophobicContact CE1-CD2 4.15Å; F71-L126 HydrophobicContact CE2-CB 4.48Å; F71-L126 HydrophobicContact CE2-CD1 3.93Å; F71-L126 HydrophobicContact CE2-CD2 3.72Å; F71-L126 HydrophobicContact CE2-CG 4.25Å; F71-L126 HydrophobicContact CZ-CD1 4.09Å; F71-L126 HydrophobicContact CZ-CD2 3.45Å; F71-L126 VanDerWaalsContact CZ-CD2 3.45Å; F71-L126 HydrophobicContact CZ-CG 4.35Å; L89-L126 HydrophobicContact CD1-CD2 4.23Å; L89-L126 HydrophobicContact CD2-CD2 4.44Å; L97-L126 HydrophobicContact CD1-CD1 4.03Å; V100-L126 HydrophobicContact CG1-CD1 4.14Å; T122-L126 HydrophobicContact CG2-CD1 3.66Å; T122-L126 HydrophobicContact CG2-CG 4.19Å; T122-L126 VanDerWaalsContact O-CB 3.31Å; T122-L126 WeakPolarHBondContact O-CB 3.38Å; T122-L126 VanDerWaalsContact O-CG 3.22Å; T122-L126 WeakPolarHBondContact O-CG 3.43Å; T122-L126 PolarHBondContact O-N 3.44Å; H124-L126 VanDerWaalsContact C-N 3.31Å; H124-L126 PolarHBondContact O-N 3.38Å; L126-I128 VanDerWaalsContact C-N 3.28Å; L126-I128 HydrophobicContact CB-CD1 3.93Å; L126-I128 HydrophobicContact CB-CG1 4.23Å; L126-I128 HydrophobicContact CD1-CD1 4.46Å; L126-I128 PolarHBondContact O-N 3.35Å
127	Q	94.4	Very high	94.5	Very high	75 Å²	75	41.3 Å²	41.3	35%	0.35	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	38.7	178.4	-57.5	179.3	-21.1	0	0	113.7	A123 H124 L125 W129	A123-Q127 PolarHBondContact O-N 3.22Å; H124-Q127 PolarHBondContact O-N 3.47Å; H124-Q127 VanDerWaalsContact O-N 3.07Å; L125-Q127 PolarHBondContact O-N 2.88Å; Q127-W129 HydrophobicContact CB-CZ2 4.41Å; Q127-W129 HydrophobicContact CG-CZ2 4.44Å; Q127-W129 PolarHBondContact O-N 3.15Å
128	I	95.1	Very high	94.6	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.031	19%	0.192	C	C	.	.			trans	-97.4	79.6	176.9	-59.3	163.9	0	0	0	108.1	V100 F103 L104 A123 L126 T130 V131 V132	V100-I128 HydrophobicContact CG1-CD1 3.29Å; F103-I128 HydrophobicContact CE1-CG2 4.49Å; L104-I128 HydrophobicContact CD1-CD1 3.95Å; L104-I128 HydrophobicContact CD2-CD1 4.07Å; L104-I128 HydrophobicContact CD2-CG2 4.26Å; L104-I128 HydrophobicContact CG-CD1 4.27Å; A123-I128 PolarHBondContact O-N 3.19Å; L126-I128 VanDerWaalsContact C-N 3.28Å; L126-I128 HydrophobicContact CB-CD1 3.93Å; L126-I128 HydrophobicContact CB-CG1 4.23Å; L126-I128 HydrophobicContact CD1-CD1 4.46Å; L126-I128 PolarHBondContact O-N 3.35Å; I128-T130 VanDerWaalsContact C-N 3.26Å; I128-T130 PolarHBondContact O-N 3.47Å; I128-V131 HydrophobicContact CB-CG2 4.5Å; I128-V131 HydrophobicContact CG2-CB 4.1Å; I128-V131 HydrophobicContact CG2-CG2 3.63Å; I128-V131 PolarHBondContact O-N 2.98Å; I128-V132 PolarHBondContact O-N 3.03Å
129	W	93.6	Very high	94.6	Very high	130 Å²	130	37.1 Å²	37.1	49%	0.492	18%	0.175	S	C	.	.	H	α-helix	trans	-60.8	-30.1	-171.2	-57	109	0	0	0	114	H124 Q127 V131 V132 D133	H124-W129 AromaticContact ND1-CZ3 3.92Å; Q127-W129 HydrophobicContact CB-CZ2 4.41Å; Q127-W129 HydrophobicContact CG-CZ2 4.44Å; Q127-W129 PolarHBondContact O-N 3.15Å; W129-V131 VanDerWaalsContact C-N 3.3Å; W129-V131 PolarHBondContact O-N 3Å; W129-V132 HydrophobicContact CE3-CB 4.48Å; W129-V132 HydrophobicContact CE3-CG2 4.3Å; W129-V132 WeakPolarHBondContact O-CB 3.33Å; W129-V132 PolarHBondContact O-N 3.5Å; W129-V132 VanDerWaalsContact O-N 3.17Å; W129-D133 PolarHBondContact O-N 2.98Å
130	T	94.6	Very high	94.6	Very high	76 Å²	76	38.6 Å²	38.6	47%	0.466	18%	0.182	S	C	.	.	H	α-helix	trans	-61.6	-37.6	174.8	-48.5	0	0	0	0	112.4	F103 I128 D133 F134	F103-T130 HydrophobicContact CZ-CG2 4.3Å; I128-T130 VanDerWaalsContact C-N 3.26Å; I128-T130 PolarHBondContact O-N 3.47Å; T130-D133 PolarHBondContact O-N 3.41Å; T130-F134 HydrophobicContact CG2-CE2 3.97Å; T130-F134 HydrophobicContact CG2-CZ 3.98Å; T130-F134 WeakPolarHBondContact O-CD2 3.35Å; T130-F134 WeakPolarHBondContact O-CG 3.31Å; T130-F134 PolarHBondContact O-N 3.32Å; T130-F134 VanDerWaalsContact O-N 3.15Å
131	V	95.4	Very high	94.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-71.4	-39.9	175.6	173.9	0	0	0	0	110.2	V100 F103 L109 V119 A123 I128 W129 D133 F134 C135	V100-V131 HydrophobicContact CG2-CG1 4.35Å; F103-V131 HydrophobicContact CD1-CG2 3.23Å; F103-V131 HydrophobicContact CE1-CG2 3.31Å; F103-V131 HydrophobicContact CG-CG2 3.98Å; F103-V131 HydrophobicContact CZ-CG2 4.11Å; L109-V131 HydrophobicContact CD2-CG1 3.75Å; V119-V131 HydrophobicContact CG1-CG1 3.78Å; A123-V131 HydrophobicContact CB-CB 3.77Å; A123-V131 HydrophobicContact CB-CG1 3.46Å; A123-V131 VanDerWaalsContact CB-CG1 3.46Å; I128-V131 HydrophobicContact CB-CG2 4.5Å; I128-V131 HydrophobicContact CG2-CB 4.1Å; I128-V131 HydrophobicContact CG2-CG2 3.63Å; I128-V131 PolarHBondContact O-N 2.98Å; W129-V131 VanDerWaalsContact C-N 3.3Å; W129-V131 PolarHBondContact O-N 3Å; V131-D133 VanDerWaalsContact C-N 3.27Å; V131-D133 PolarHBondContact O-N 3.1Å; V131-F134 PolarHBondContact O-N 3.1Å; V131-C135 PolarHBondContact O-N 3.3Å; V131-C135 PolarHBondContact O-SG 2.81Å
132	V	95	Very high	94.4	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-41.1	174.3	177.7	0	0	0	0	111.1	L120 A123 I128 W129 C135 C136 L160	L120-V132 HydrophobicContact CD1-CB 4.5Å; L120-V132 HydrophobicContact CD1-CG1 4.01Å; L120-V132 HydrophobicContact CD1-CG2 4.43Å; A123-V132 HydrophobicContact CB-CG2 3.9Å; I128-V132 PolarHBondContact O-N 3.03Å; W129-V132 HydrophobicContact CE3-CB 4.48Å; W129-V132 HydrophobicContact CE3-CG2 4.3Å; W129-V132 WeakPolarHBondContact O-CB 3.33Å; W129-V132 PolarHBondContact O-N 3.5Å; W129-V132 VanDerWaalsContact O-N 3.17Å; V132-C135 WeakPolarHBondContact O-CB 3.31Å; V132-C135 PolarHBondContact O-N 3.21Å; V132-C136 PolarHBondContact O-N 2.93Å; V132-C136 PolarHBondContact O-SG 3.31Å; V132-L160 HydrophobicContact CG1-CD2 3.49Å; V132-L160 VanDerWaalsContact CG1-CD2 3.49Å
133	D	94.6	Very high	94.3	Very high	79 Å²	79	48.4 Å²	48.4	42%	0.422	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-43.5	176.4	-76.2	-26.9	0	0	0	112	W129 T130 V131 C135 C136 E137	W129-D133 PolarHBondContact O-N 2.98Å; T130-D133 PolarHBondContact O-N 3.41Å; V131-D133 VanDerWaalsContact C-N 3.27Å; V131-D133 PolarHBondContact O-N 3.1Å; D133-C135 VanDerWaalsContact C-N 3.34Å; D133-C135 PolarHBondContact O-N 3.36Å; D133-C136 WeakPolarHBondContact O-CB 3.45Å; D133-C136 PolarHBondContact O-N 2.9Å; D133-E137 PolarHBondContact O-N 3.41Å
134	F	95.4	Very high	94.2	Very high	79 Å²	79	50.3 Å²	50.3	35%	0.346	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-38.1	174.3	-65.7	-26.4	0	0	0	112.6	F103 L109 L111 T130 V131 C136 E137 Y138	F103-F134 HydrophobicContact CE2-CD2 4.31Å; F103-F134 AromaticContact CE2-CE2 3.76Å; F103-F134 HydrophobicContact CE2-CE2 3.76Å; F103-F134 HydrophobicContact CZ-CD2 4.46Å; F103-F134 AromaticContact CZ-CE2 3.9Å; F103-F134 HydrophobicContact CZ-CE2 3.9Å; L109-F134 HydrophobicContact CD2-CB 4.06Å; L109-F134 HydrophobicContact CD2-CD2 4.14Å; L111-F134 HydrophobicContact CD1-CB 4.4Å; T130-F134 HydrophobicContact CG2-CE2 3.97Å; T130-F134 HydrophobicContact CG2-CZ 3.98Å; T130-F134 WeakPolarHBondContact O-CD2 3.35Å; T130-F134 WeakPolarHBondContact O-CG 3.31Å; T130-F134 PolarHBondContact O-N 3.32Å; T130-F134 VanDerWaalsContact O-N 3.15Å; V131-F134 PolarHBondContact O-N 3.1Å; F134-C136 VanDerWaalsContact C-N 3.34Å; F134-E137 PolarHBondContact O-N 3.3Å; F134-Y138 PolarHBondContact O-N 2.95Å
135	C	95.1	Very high	94	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-43.3	172	-67.1	0	0	0	0	111.1	I116 L120 V131 V132 D133 E137 Y138 L139	I116-C135 HydrophobicContact CD1-CB 3.72Å; L120-C135 HydrophobicContact CB-CB 4.39Å; L120-C135 HydrophobicContact CD1-CB 3.93Å; V131-C135 PolarHBondContact O-N 3.3Å; V131-C135 PolarHBondContact O-SG 2.81Å; V132-C135 WeakPolarHBondContact O-CB 3.31Å; V132-C135 PolarHBondContact O-N 3.21Å; D133-C135 VanDerWaalsContact C-N 3.34Å; D133-C135 PolarHBondContact O-N 3.36Å; C135-E137 PolarHBondContact O-N 3.48Å; C135-Y138 PolarHBondContact O-N 3.17Å; C135-L139 WeakPolarHBondContact O-CB 3.43Å; C135-L139 VanDerWaalsContact O-CG 3.22Å; C135-L139 WeakPolarHBondContact O-CG 3.44Å; C135-L139 PolarHBondContact O-N 3.22Å
136	C	94.8	Very high	93.7	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.02	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-44.7	175.9	-65.6	0	0	0	0	111.7	V132 D133 F134 Y138 L139 E140	V132-C136 PolarHBondContact O-N 2.93Å; V132-C136 PolarHBondContact O-SG 3.31Å; D133-C136 WeakPolarHBondContact O-CB 3.45Å; D133-C136 PolarHBondContact O-N 2.9Å; F134-C136 VanDerWaalsContact C-N 3.34Å; C136-Y138 VanDerWaalsContact C-N 3.33Å; C136-Y138 PolarHBondContact O-N 2.95Å; C136-L139 PolarHBondContact O-N 3.36Å; C136-E140 WeakPolarHBondContact O-CB 3.22Å; C136-E140 VanDerWaalsContact O-CG 3.23Å; C136-E140 WeakPolarHBondContact O-CG 3.32Å; C136-E140 PolarHBondContact O-N 3.49Å
137	E	94.4	Very high	93.6	Very high	78 Å²	78	59.6 Å²	59.6	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-38.7	178.2	-77.3	176	-173.9	0	0	113.3	D133 F134 C135 Q141 R162	D133-E137 PolarHBondContact O-N 3.41Å; F134-E137 PolarHBondContact O-N 3.3Å; C135-E137 PolarHBondContact O-N 3.48Å; E137-Q141 WeakPolarHBondContact O-CG 3.46Å; E137-Q141 PolarHBondContact O-NE2 3.35Å; E137-R162 VanDerWaalsContact CG-NH2 3.3Å; E137-R162 IonicContact OE1-NH1 2.74Å; E137-R162 PolarHBondContact OE1-NH1 3.42Å; E137-R162 IonicContact OE1-NH2 2.88Å
138	Y	94.4	Very high	93.5	Very high	55 Å²	55	56.3 Å²	56.3	22%	0.216	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-48.5	174	177.6	-102.2	0	0	0	111.3	L111 G113 I116 F134 C135 C136 E140 Q141 E142	L111-Y138 HydrophobicContact CB-CD1 4.39Å; L111-Y138 HydrophobicContact CB-CD2 4.25Å; L111-Y138 HydrophobicContact CB-CG 4.12Å; L111-Y138 HydrophobicContact CD1-CG 4.34Å; G113-Y138 PolarHBondContact N-OH 2.93Å; I116-Y138 HydrophobicContact CB-CD1 4.49Å; I116-Y138 HydrophobicContact CB-CE1 4.37Å; I116-Y138 HydrophobicContact CD1-CD1 3.88Å; I116-Y138 HydrophobicContact CG1-CD1 4.02Å; I116-Y138 HydrophobicContact CG1-CE1 4.34Å; F134-Y138 PolarHBondContact O-N 2.95Å; C135-Y138 PolarHBondContact O-N 3.17Å; C136-Y138 VanDerWaalsContact C-N 3.33Å; C136-Y138 PolarHBondContact O-N 2.95Å; Y138-E140 VanDerWaalsContact C-N 3.32Å; Y138-E140 PolarHBondContact O-N 2.86Å; Y138-Q141 PolarHBondContact O-N 3.02Å; Y138-Q141 VanDerWaalsContact O-N 3.11Å; Y138-E142 HydrophobicContact CE1-CG 4.24Å; Y138-E142 HydrophobicContact CE2-CG 4.21Å; Y138-E142 PolarHBondContact O-N 3Å
139	L	94.1	Very high	93.3	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-36.3	-179.4	-69.2	176.4	0	0	0	112.6	I116 L120 C135 C136 Q141 E142 V143 L151 L154 L163	I116-L139 HydrophobicContact CD1-CG 4.44Å; I116-L139 HydrophobicContact CG1-CD1 4.45Å; I116-L139 HydrophobicContact CG1-CD2 3.76Å; I116-L139 HydrophobicContact CG1-CG 4.1Å; L120-L139 HydrophobicContact CD2-CD1 4.47Å; C135-L139 WeakPolarHBondContact O-CB 3.43Å; C135-L139 VanDerWaalsContact O-CG 3.22Å; C135-L139 WeakPolarHBondContact O-CG 3.44Å; C135-L139 PolarHBondContact O-N 3.22Å; C136-L139 PolarHBondContact O-N 3.36Å; L139-Q141 VanDerWaalsContact C-N 3.26Å; L139-Q141 PolarHBondContact O-N 3.1Å; L139-E142 PolarHBondContact O-N 2.88Å; L139-V143 VanDerWaalsContact O-CG2 3.23Å; L139-V143 WeakPolarHBondContact O-CG2 3.42Å; L139-V143 PolarHBondContact O-N 3.08Å; L139-L151 HydrophobicContact CD1-CD2 4.48Å; L139-L151 HydrophobicContact CD2-CD2 3.71Å; L139-L151 HydrophobicContact CG-CD2 4.48Å; L139-L154 HydrophobicContact CD1-CD2 3.94Å; L139-L163 HydrophobicContact CB-CD1 3.98Å; L139-L163 HydrophobicContact CB-CD2 4.16Å; L139-L163 HydrophobicContact CD1-CD2 3.72Å
140	E	94.1	Very high	93.2	Very high	31 Å²	31	56.4 Å²	56.4	15%	0.145	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-33.8	174.3	-76.6	170.7	-173.9	0	0	112.4	C136 Y138 R162 L163 F166	C136-E140 WeakPolarHBondContact O-CB 3.22Å; C136-E140 VanDerWaalsContact O-CG 3.23Å; C136-E140 WeakPolarHBondContact O-CG 3.32Å; C136-E140 PolarHBondContact O-N 3.49Å; Y138-E140 VanDerWaalsContact C-N 3.32Å; Y138-E140 PolarHBondContact O-N 2.86Å; E140-R162 WeakPolarHBondContact OE1-CG 3.3Å; E140-R162 IonicContact OE1-CZ 3.4Å; E140-R162 IonicContact OE1-NE 2.7Å; E140-R162 PolarHBondContact OE1-NE 3.08Å; E140-R162 IonicContact OE1-NH2 3.09Å; E140-R162 IonicContact OE2-CZ 3.91Å; E140-R162 IonicContact OE2-NE 3.31Å; E140-R162 IonicContact OE2-NH2 3.52Å; E140-R162 PolarHBondContact OE2-NH2 3.31Å; E140-L163 HydrophobicContact CG-CD1 3.99Å; E140-F166 HydrophobicContact CB-CD1 4.2Å; E140-F166 HydrophobicContact CB-CD2 4.49Å; E140-F166 HydrophobicContact CB-CE1 4.11Å; E140-F166 HydrophobicContact CB-CE2 4.41Å; E140-F166 HydrophobicContact CB-CG 4.39Å; E140-F166 HydrophobicContact CB-CZ 4.21Å; E140-F166 HydrophobicContact CG-CB 4.16Å; E140-F166 HydrophobicContact CG-CD1 3.95Å; E140-F166 HydrophobicContact CG-CD2 4.13Å; E140-F166 HydrophobicContact CG-CE1 4.37Å; E140-F166 HydrophobicContact CG-CG 3.81Å; E140-F166 WeakPolarHBondContact O-CE1 3.42Å; E140-F166 WeakPolarHBondContact O-CZ 3.34Å
141	Q	92.6	Very high	93.1	Very high	152 Å²	152	53 Å²	53	71%	0.71	26%	0.258	S	S	*	.	H	α-helix	trans	-78.7	-26.1	-179.8	-68.3	173.2	30.1	0	0	113.2	E137 Y138 L139	E137-Q141 WeakPolarHBondContact O-CG 3.46Å; E137-Q141 PolarHBondContact O-NE2 3.35Å; Y138-Q141 PolarHBondContact O-N 3.02Å; Y138-Q141 VanDerWaalsContact O-N 3.11Å; L139-Q141 VanDerWaalsContact C-N 3.26Å; L139-Q141 PolarHBondContact O-N 3.1Å
142	E	91.9	Very high	92.9	Very high	102 Å²	102	54 Å²	54	48%	0.477	26%	0.262	S	S	.	.	S	Bend	trans	-97	3.1	-176.1	-65.2	-63.9	138.1	0	0	113.2	Y138 L139 S144 N147	Y138-E142 HydrophobicContact CE1-CG 4.24Å; Y138-E142 HydrophobicContact CE2-CG 4.21Å; Y138-E142 PolarHBondContact O-N 3Å; L139-E142 PolarHBondContact O-N 2.88Å; E142-S144 PolarHBondContact O-N 3.09Å; E142-N147 PolarHBondContact O-ND2 2.97Å
143	V	93.6	Very high	92.7	Very high	23 Å²	23	59.7 Å²	59.7	14%	0.139	29%	0.288	C	S	.	.			trans	-60.7	129.2	178.2	-176.8	0	0	0	0	111	L139 L151 F166 F170	L139-V143 VanDerWaalsContact O-CG2 3.23Å; L139-V143 WeakPolarHBondContact O-CG2 3.42Å; L139-V143 PolarHBondContact O-N 3.08Å; V143-L151 HydrophobicContact CB-CD1 4.49Å; V143-L151 HydrophobicContact CG2-CD1 3.86Å; V143-F166 HydrophobicContact CB-CE1 4.15Å; V143-F166 HydrophobicContact CG2-CD1 3.96Å; V143-F166 HydrophobicContact CG2-CE1 3.67Å; V143-F170 HydrophobicContact CG1-CB 4.26Å; V143-F170 HydrophobicContact CG1-CD1 3.79Å; V143-F170 HydrophobicContact CG1-CD2 3.99Å; V143-F170 HydrophobicContact CG1-CE1 4.09Å; V143-F170 HydrophobicContact CG1-CE2 4.28Å; V143-F170 HydrophobicContact CG1-CG 3.74Å; V143-F170 HydrophobicContact CG1-CZ 4.33Å
144	S	92.6	Very high	92.5	Very high	41 Å²	41	56.3 Å²	56.3	29%	0.287	27%	0.27	S	S	.	.			trans	-143.2	169.6	-178.6	65.1	0	0	0	0	111.6	E142 D146 N147 Y148	E142-S144 PolarHBondContact O-N 3.09Å; S144-D146 PolarHBondContact O-N 2.98Å; S144-N147 PolarHBondContact N-OD1 3.39Å; S144-N147 PolarHBondContact O-N 2.92Å; S144-N147 PolarHBondContact O-OD1 3.34Å; S144-N147 PolarHBondContact OG-ND2 3.25Å; S144-N147 PolarHBondContact OG-OD1 3.08Å; S144-N147 VanDerWaalsContact OG-OD1 3.11Å; S144-Y148 PolarHBondContact O-N 3.37Å
145	E	89.4	Confident	92.4	Very high	106 Å²	106	52.6 Å²	52.6	50%	0.495	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.6	178.2	-62.3	-175	175.6	0	0	113	Y148 F170 H174 L178	E145-Y148 VanDerWaalsContact O-CD1 3.24Å; E145-Y148 WeakPolarHBondContact O-CD1 3.4Å; E145-Y148 WeakPolarHBondContact O-CE1 3.29Å; E145-F170 HydrophobicContact CG-CZ 4.22Å; E145-H174 IonicContact OE1-ND1 3.32Å; E145-L178 HydrophobicContact CB-CD2 4.26Å; E145-L178 HydrophobicContact CG-CD2 4.3Å
146	D	88.8	Confident	92.3	Very high	162 Å²	162	56.8 Å²	56.8	87%	0.866	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-23.8	-178.6	-60.5	-46.6	0	0	0	113.3	S144	S144-D146 PolarHBondContact O-N 2.98Å
147	N	90.9	Very high	92.1	Very high	41 Å²	41	61.9 Å²	61.9	22%	0.219	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-8.4	-170.9	70.8	8.8	0	0	0	115.3	E142 S144 L149 Y150 L151	E142-N147 PolarHBondContact O-ND2 2.97Å; S144-N147 PolarHBondContact N-OD1 3.39Å; S144-N147 PolarHBondContact O-N 2.92Å; S144-N147 PolarHBondContact O-OD1 3.34Å; S144-N147 PolarHBondContact OG-ND2 3.25Å; S144-N147 PolarHBondContact OG-OD1 3.08Å; S144-N147 VanDerWaalsContact OG-OD1 3.11Å; N147-L149 VanDerWaalsContact C-N 3.3Å; N147-L149 PolarHBondContact O-N 3.25Å; N147-Y150 WeakPolarHBondContact O-CB 3.43Å; N147-Y150 PolarHBondContact O-N 3.43Å; N147-Y150 VanDerWaalsContact O-N 3.12Å; N147-L151 WeakPolarHBondContact O-CG 3.33Å; N147-L151 PolarHBondContact O-N 3.26Å
148	Y	93.1	Very high	92	Very high	5 Å²	5	60.1 Å²	60.1	2%	0.02	30%	0.3	C	S	.	.	H	α-helix	trans	-59.4	-35.5	-171.8	73	-80.4	0	0	0	114.2	S144 E145 L151 Q152 F170 I171 L178 F184	S144-Y148 PolarHBondContact O-N 3.37Å; E145-Y148 VanDerWaalsContact O-CD1 3.24Å; E145-Y148 WeakPolarHBondContact O-CD1 3.4Å; E145-Y148 WeakPolarHBondContact O-CE1 3.29Å; Y148-L151 PolarHBondContact O-N 2.67Å; Y148-Q152 WeakPolarHBondContact O-CB 3.36Å; Y148-Q152 PolarHBondContact O-N 2.8Å; Y148-F170 HydrophobicContact CG-CE1 4.46Å; Y148-I171 HydrophobicContact CD2-CD1 3.81Å; Y148-I171 HydrophobicContact CD2-CG1 3.68Å; Y148-I171 HydrophobicContact CE2-CD1 4.13Å; Y148-I171 HydrophobicContact CE2-CG1 4.02Å; Y148-L178 HydrophobicContact CE1-CD1 4.33Å; Y148-L178 HydrophobicContact CE1-CD2 3.83Å; Y148-L178 HydrophobicContact CE2-CD1 4.35Å; Y148-F184 HydrophobicContact CE2-CD2 4.43Å
149	L	91.1	Very high	91.9	Very high	28 Å²	28	62 Å²	62	15%	0.147	32%	0.32	C	S	.	.	H	α-helix	trans	-69	-41.8	177.6	-69.5	171.3	0	0	0	111.8	N147 L151 Q152 E153 D183 N187 V188	N147-L149 VanDerWaalsContact C-N 3.3Å; N147-L149 PolarHBondContact O-N 3.25Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-Q152 PolarHBondContact O-N 3.07Å; L149-E153 PolarHBondContact O-N 3.34Å; L149-D183 HydrophobicContact CD1-CB 3.46Å; L149-D183 VanDerWaalsContact CD1-CB 3.46Å; L149-D183 WeakPolarHBondContact CD1-O 3.19Å; L149-N187 HydrophobicContact CD1-CB 4.35Å; L149-V188 HydrophobicContact CD2-CG2 3.84Å
150	Y	90.9	Very high	91.8	Very high	111 Å²	111	62.2 Å²	62.2	44%	0.435	32%	0.322	S	S	.	.	H	α-helix	trans	-60	-47.4	174.4	169.5	-104	0	0	0	110.6	D117 N147 Q152 E153 L154	D117-Y150 PolarHBondContact OD1-OH 2.86Å; D117-Y150 PolarHBondContact OD2-OH 3.37Å; N147-Y150 WeakPolarHBondContact O-CB 3.43Å; N147-Y150 PolarHBondContact O-N 3.43Å; N147-Y150 VanDerWaalsContact O-N 3.12Å; Y150-Q152 VanDerWaalsContact C-N 3.28Å; Y150-Q152 PolarHBondContact O-N 2.99Å; Y150-E153 PolarHBondContact O-N 3.29Å; Y150-L154 HydrophobicContact CE1-CD1 3.93Å; Y150-L154 WeakPolarHBondContact O-CB 3.39Å; Y150-L154 PolarHBondContact O-N 3.27Å
151	L	91.9	Very high	91.7	Very high	5 Å²	5	69.3 Å²	69.3	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-32.7	178.7	-63	-179.3	0	0	0	112.4	L139 V143 N147 Y148 L149 A155 I167	L139-L151 HydrophobicContact CD1-CD2 4.48Å; L139-L151 HydrophobicContact CD2-CD2 3.71Å; L139-L151 HydrophobicContact CG-CD2 4.48Å; V143-L151 HydrophobicContact CB-CD1 4.49Å; V143-L151 HydrophobicContact CG2-CD1 3.86Å; N147-L151 WeakPolarHBondContact O-CG 3.33Å; N147-L151 PolarHBondContact O-N 3.26Å; Y148-L151 PolarHBondContact O-N 2.67Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L151-A155 VanDerWaalsContact O-CB 3.29Å; L151-A155 WeakPolarHBondContact O-CB 3.23Å; L151-A155 PolarHBondContact O-N 3.38Å; L151-I167 VanDerWaalsContact C-CD1 3.49Å; L151-I167 HydrophobicContact CB-CD1 3.61Å
152	Q	91.9	Very high	91.8	Very high	20 Å²	20	67.4 Å²	67.4	9%	0.093	34%	0.339	C	S	.	.	H	α-helix	trans	-68.7	-42.2	175.1	-179.4	165.7	75.7	0	0	111.8	Y148 L149 Y150 A155 S156 I167 D168 Y196	Y148-Q152 WeakPolarHBondContact O-CB 3.36Å; Y148-Q152 PolarHBondContact O-N 2.8Å; L149-Q152 PolarHBondContact O-N 3.07Å; Y150-Q152 VanDerWaalsContact C-N 3.28Å; Y150-Q152 PolarHBondContact O-N 2.99Å; Q152-A155 PolarHBondContact O-N 2.82Å; Q152-S156 PolarHBondContact O-N 3.11Å; Q152-I167 HydrophobicContact CB-CD1 4.43Å; Q152-I167 HydrophobicContact CB-CG2 4.18Å; Q152-D168 PolarHBondContact NE2-OD1 3.24Å; Q152-Y196 PolarHBondContact NE2-OH 3.36Å
153	E	91.3	Very high	91.9	Very high	124 Å²	124	62.6 Å²	62.6	58%	0.579	32%	0.316	S	S	*	.	H	α-helix	trans	-62	-46.4	174.2	-176.5	174.7	-165.3	0	0	110.9	L149 Y150 A155 S156 I157	L149-E153 PolarHBondContact O-N 3.34Å; Y150-E153 PolarHBondContact O-N 3.29Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 2.88Å; E153-S156 WeakPolarHBondContact O-CB 3.42Å; E153-S156 PolarHBondContact O-N 3.34Å; E153-S156 VanDerWaalsContact O-N 3.09Å; E153-I157 HydrophobicContact CG-CD1 3.96Å; E153-I157 WeakPolarHBondContact O-CG1 3.4Å; E153-I157 PolarHBondContact O-N 3.36Å
154	L	91.2	Very high	91.9	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.042	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-42.6	176.3	-178.7	154.1	0	0	0	111.7	L120 L139 Y150 S156 I157 Y158 L160 L163	L120-L154 HydrophobicContact CD2-CD1 4.31Å; L120-L154 HydrophobicContact CD2-CD2 3.35Å; L120-L154 HydrophobicContact CD2-CG 4.05Å; L139-L154 HydrophobicContact CD1-CD2 3.94Å; Y150-L154 HydrophobicContact CE1-CD1 3.93Å; Y150-L154 WeakPolarHBondContact O-CB 3.39Å; Y150-L154 PolarHBondContact O-N 3.27Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.42Å; L154-I157 PolarHBondContact O-N 2.75Å; L154-Y158 HydrophobicContact CD2-CD2 4.18Å; L154-Y158 HydrophobicContact CG-CD2 4.02Å; L154-Y158 HydrophobicContact CG-CE2 4.12Å; L154-Y158 VanDerWaalsContact O-CD2 3.31Å; L154-Y158 WeakPolarHBondContact O-CD2 3.23Å; L154-Y158 PolarHBondContact O-N 2.74Å; L154-Y158 VanDerWaalsContact O-N 3.1Å; L154-L160 HydrophobicContact CD2-CD1 4.09Å; L154-L163 HydrophobicContact CD2-CD2 4.29Å
155	A	93.4	Very high	91.9	Very high	2 Å²	2	64.3 Å²	64.3	2%	0.017	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-36.3	174.5	0	0	0	0	0	112.3	L151 Q152 E153 S159 L160 L163 D164	L151-A155 VanDerWaalsContact O-CB 3.29Å; L151-A155 WeakPolarHBondContact O-CB 3.23Å; L151-A155 PolarHBondContact O-N 3.38Å; Q152-A155 PolarHBondContact O-N 2.82Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 2.88Å; A155-S159 CarbonylContact O-C 3.6Å; A155-S159 VanDerWaalsContact O-CA 3.31Å; A155-S159 WeakPolarHBondContact O-CA 3.3Å; A155-S159 PolarHBondContact O-N 2.79Å; A155-L160 HydrophobicContact CB-CB 4.22Å; A155-L160 PolarHBondContact O-N 3.32Å; A155-L163 HydrophobicContact CB-CB 4.39Å; A155-L163 HydrophobicContact CB-CD2 4.13Å; A155-L163 HydrophobicContact CB-CG 4.23Å; A155-D164 HydrophobicContact CB-CB 4.05Å
156	S	92.1	Very high	92.1	Very high	88 Å²	88	63.6 Å²	63.6	62%	0.615	33%	0.325	S	S	*	.	H	α-helix	trans	-67.3	-47.6	175.3	-173.8	0	0	0	0	111.9	Q152 E153 L154 Y158 S159	Q152-S156 PolarHBondContact O-N 3.11Å; E153-S156 WeakPolarHBondContact O-CB 3.42Å; E153-S156 PolarHBondContact O-N 3.34Å; E153-S156 VanDerWaalsContact O-N 3.09Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.42Å; S156-Y158 PolarHBondContact O-N 3.47Å; S156-S159 PolarHBondContact O-N 2.76Å
157	I	91.3	Very high	92.4	Very high	109 Å²	109	55.9 Å²	55.9	56%	0.559	28%	0.284	S	S	*	.	H	α-helix	trans	-57.9	-47.8	-179.8	-69.7	166.5	0	0	0	111	E153 L154	E153-I157 HydrophobicContact CG-CD1 3.96Å; E153-I157 WeakPolarHBondContact O-CG1 3.4Å; E153-I157 PolarHBondContact O-N 3.36Å; L154-I157 PolarHBondContact O-N 2.75Å
158	Y	91.4	Very high	92.5	Very high	42 Å²	42	55 Å²	55	17%	0.165	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	7	-178.1	-62.3	-69	0	0	0	113.8	L120 E121 H124 L154 S156 L160	L120-Y158 HydrophobicContact CD2-CD2 3.73Å; L120-Y158 HydrophobicContact CD2-CE2 4.01Å; L120-Y158 HydrophobicContact CD2-CG 4.38Å; L120-Y158 HydrophobicContact CG-CD2 4.19Å; L120-Y158 HydrophobicContact CG-CE2 4.36Å; L120-Y158 HydrophobicContact CG-CG 4.47Å; E121-Y158 HydrophobicContact CB-CE1 4.4Å; E121-Y158 WeakPolarHBondContact CB-OH 3.5Å; E121-Y158 HydrophobicContact CG-CE1 4.49Å; H124-Y158 HydrophobicContact CB-CD1 4.02Å; H124-Y158 HydrophobicContact CB-CE1 4.46Å; H124-Y158 AromaticContact CD2-CD1 3.98Å; H124-Y158 PolarHBondContact CE1-O 2.91Å; H124-Y158 VanDerWaalsContact CE1-O 3.26Å; H124-Y158 AromaticContact CG-CD1 3.82Å; L154-Y158 HydrophobicContact CD2-CD2 4.18Å; L154-Y158 HydrophobicContact CG-CD2 4.02Å; L154-Y158 HydrophobicContact CG-CE2 4.12Å; L154-Y158 VanDerWaalsContact O-CD2 3.31Å; L154-Y158 WeakPolarHBondContact O-CD2 3.23Å; L154-Y158 PolarHBondContact O-N 2.74Å; L154-Y158 VanDerWaalsContact O-N 3.1Å; S156-Y158 PolarHBondContact O-N 3.47Å; Y158-L160 VanDerWaalsContact C-N 3.29Å; Y158-L160 PolarHBondContact O-N 2.58Å
159	S	92.1	Very high	92.5	Very high	93 Å²	93	56.1 Å²	56.1	65%	0.65	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	38.6	-179.3	-62.4	0	0	0	0	114.5	A155 S156 K161	A155-S159 CarbonylContact O-C 3.6Å; A155-S159 VanDerWaalsContact O-CA 3.31Å; A155-S159 WeakPolarHBondContact O-CA 3.3Å; A155-S159 PolarHBondContact O-N 2.79Å; S156-S159 PolarHBondContact O-N 2.76Å; S159-K161 PolarHBondContact O-N 3.27Å; S159-K161 VanDerWaalsContact O-N 3.1Å
160	L	93.1	Very high	92.6	Very high	14 Å²	14	56.4 Å²	56.4	7%	0.073	29%	0.292	C	S	.	.			trans	-82.4	81.9	-177.2	-54.8	177.8	0	0	0	111.7	L120 V132 L154 A155 Y158 R162 L163 D164	L120-L160 HydrophobicContact CD1-CD1 4.17Å; L120-L160 HydrophobicContact CD2-CD1 3.99Å; V132-L160 HydrophobicContact CG1-CD2 3.49Å; V132-L160 VanDerWaalsContact CG1-CD2 3.49Å; L154-L160 HydrophobicContact CD2-CD1 4.09Å; A155-L160 HydrophobicContact CB-CB 4.22Å; A155-L160 PolarHBondContact O-N 3.32Å; Y158-L160 VanDerWaalsContact C-N 3.29Å; Y158-L160 PolarHBondContact O-N 2.58Å; L160-R162 VanDerWaalsContact C-N 3.3Å; L160-R162 PolarHBondContact O-N 3.18Å; L160-L163 HydrophobicContact CB-CB 4.1Å; L160-L163 HydrophobicContact CD1-CD2 4.07Å; L160-L163 PolarHBondContact O-N 2.9Å; L160-D164 WeakPolarHBondContact O-CB 3.44Å; L160-D164 PolarHBondContact O-N 2.82Å
161	K	92.1	Very high	92.7	Very high	179 Å²	179	51.1 Å²	51.1	78%	0.778	27%	0.271	S	S	*	.	H	α-helix	trans	-58.3	-36.2	-176	-63.5	-176.5	-178.6	178.4	0	114.6	S159 A165	S159-K161 PolarHBondContact O-N 3.27Å; S159-K161 VanDerWaalsContact O-N 3.1Å; K161-A165 WeakPolarHBondContact O-CB 3.36Å; K161-A165 PolarHBondContact O-N 2.96Å; K161-A165 VanDerWaalsContact O-N 3.07Å
162	R	93.2	Very high	92.7	Very high	113 Å²	113	52 Å²	52	43%	0.426	28%	0.276	S	S	.	.	H	α-helix	trans	-65.1	-51.8	-179.5	178.5	-173.4	159	174.9	-0.2	110.7	E137 E140 L160 A165 F166	E137-R162 VanDerWaalsContact CG-NH2 3.3Å; E137-R162 IonicContact OE1-NH1 2.74Å; E137-R162 PolarHBondContact OE1-NH1 3.42Å; E137-R162 IonicContact OE1-NH2 2.88Å; E140-R162 WeakPolarHBondContact OE1-CG 3.3Å; E140-R162 IonicContact OE1-CZ 3.4Å; E140-R162 IonicContact OE1-NE 2.7Å; E140-R162 PolarHBondContact OE1-NE 3.08Å; E140-R162 IonicContact OE1-NH2 3.09Å; E140-R162 IonicContact OE2-CZ 3.91Å; E140-R162 IonicContact OE2-NE 3.31Å; E140-R162 IonicContact OE2-NH2 3.52Å; E140-R162 PolarHBondContact OE2-NH2 3.31Å; L160-R162 VanDerWaalsContact C-N 3.3Å; L160-R162 PolarHBondContact O-N 3.18Å; R162-A165 PolarHBondContact O-N 3.48Å; R162-F166 PolarHBondContact O-N 3.16Å; R162-F166 VanDerWaalsContact O-N 3.08Å
163	L	94	Very high	92.6	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-43.8	178.5	-179.7	61.5	0	0	0	111.2	L139 E140 L154 A155 L160 A165 F166 I167	L139-L163 HydrophobicContact CB-CD1 3.98Å; L139-L163 HydrophobicContact CB-CD2 4.16Å; L139-L163 HydrophobicContact CD1-CD2 3.72Å; E140-L163 HydrophobicContact CG-CD1 3.99Å; L154-L163 HydrophobicContact CD2-CD2 4.29Å; A155-L163 HydrophobicContact CB-CB 4.39Å; A155-L163 HydrophobicContact CB-CD2 4.13Å; A155-L163 HydrophobicContact CB-CG 4.23Å; L160-L163 HydrophobicContact CB-CB 4.1Å; L160-L163 HydrophobicContact CD1-CD2 4.07Å; L160-L163 PolarHBondContact O-N 2.9Å; L163-A165 PolarHBondContact O-N 3.48Å; L163-F166 WeakPolarHBondContact O-CB 3.45Å; L163-F166 PolarHBondContact O-N 3.21Å; L163-F166 VanDerWaalsContact O-N 3.16Å; L163-I167 HydrophobicContact CD1-CD1 4.07Å; L163-I167 HydrophobicContact CD1-CG1 4.3Å; L163-I167 HydrophobicContact CG-CD1 3.82Å; L163-I167 HydrophobicContact CG-CG1 4.48Å; L163-I167 VanDerWaalsContact O-CG1 3.3Å; L163-I167 WeakPolarHBondContact O-CG1 3.39Å; L163-I167 PolarHBondContact O-N 2.78Å
164	D	93.3	Very high	92.5	Very high	39 Å²	39	52.4 Å²	52.4	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-43.4	177.8	-173	51.6	0	0	0	112.3	A155 L160 F166 I167 D168 K192	A155-D164 HydrophobicContact CB-CB 4.05Å; L160-D164 WeakPolarHBondContact O-CB 3.44Å; L160-D164 PolarHBondContact O-N 2.82Å; D164-F166 PolarHBondContact O-N 3.12Å; D164-I167 PolarHBondContact O-N 3.36Å; D164-D168 WeakPolarHBondContact O-CB 3.45Å; D164-D168 VanDerWaalsContact O-CG 3.28Å; D164-D168 PolarHBondContact O-N 2.93Å; D164-K192 WeakPolarHBondContact OD1-CE 3.34Å; D164-K192 IonicContact OD1-NZ 2.66Å; D164-K192 PolarHBondContact OD1-NZ 3.16Å; D164-K192 IonicContact OD2-NZ 3.77Å; D164-K192 PolarHBondContact OD2-NZ 2.93Å
165	A	93.5	Very high	92.5	Very high	61 Å²	61	52.1 Å²	52.1	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-36.4	175.7	0	0	0	0	0	112.8	K161 R162 L163 G169	K161-A165 WeakPolarHBondContact O-CB 3.36Å; K161-A165 PolarHBondContact O-N 2.96Å; K161-A165 VanDerWaalsContact O-N 3.07Å; R162-A165 PolarHBondContact O-N 3.48Å; L163-A165 PolarHBondContact O-N 3.48Å; A165-G169 PolarHBondContact O-N 3Å; A165-G169 VanDerWaalsContact O-N 3.08Å
166	F	94.4	Very high	92.2	Very high	91 Å²	91	53 Å²	53	40%	0.399	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-44.9	174.9	-177.2	-90	0	0	0	111.4	E140 V143 R162 L163 D164 G169 F170	E140-F166 HydrophobicContact CB-CD1 4.2Å; E140-F166 HydrophobicContact CB-CD2 4.49Å; E140-F166 HydrophobicContact CB-CE1 4.11Å; E140-F166 HydrophobicContact CB-CE2 4.41Å; E140-F166 HydrophobicContact CB-CG 4.39Å; E140-F166 HydrophobicContact CB-CZ 4.21Å; E140-F166 HydrophobicContact CG-CB 4.16Å; E140-F166 HydrophobicContact CG-CD1 3.95Å; E140-F166 HydrophobicContact CG-CD2 4.13Å; E140-F166 HydrophobicContact CG-CE1 4.37Å; E140-F166 HydrophobicContact CG-CG 3.81Å; E140-F166 WeakPolarHBondContact O-CE1 3.42Å; E140-F166 WeakPolarHBondContact O-CZ 3.34Å; V143-F166 HydrophobicContact CB-CE1 4.15Å; V143-F166 HydrophobicContact CG2-CD1 3.96Å; V143-F166 HydrophobicContact CG2-CE1 3.67Å; R162-F166 PolarHBondContact O-N 3.16Å; R162-F166 VanDerWaalsContact O-N 3.08Å; L163-F166 WeakPolarHBondContact O-CB 3.45Å; L163-F166 PolarHBondContact O-N 3.21Å; L163-F166 VanDerWaalsContact O-N 3.16Å; D164-F166 PolarHBondContact O-N 3.12Å; F166-G169 PolarHBondContact O-N 3.27Å; F166-F170 PolarHBondContact O-N 3.16Å
167	I	94.4	Very high	92	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-41.7	177.6	-64	163.3	0	0	0	110.9	L151 Q152 L163 D164 G169 F170 I171	L151-I167 VanDerWaalsContact C-CD1 3.49Å; L151-I167 HydrophobicContact CB-CD1 3.61Å; Q152-I167 HydrophobicContact CB-CD1 4.43Å; Q152-I167 HydrophobicContact CB-CG2 4.18Å; L163-I167 HydrophobicContact CD1-CD1 4.07Å; L163-I167 HydrophobicContact CD1-CG1 4.3Å; L163-I167 HydrophobicContact CG-CD1 3.82Å; L163-I167 HydrophobicContact CG-CG1 4.48Å; L163-I167 VanDerWaalsContact O-CG1 3.3Å; L163-I167 WeakPolarHBondContact O-CG1 3.39Å; L163-I167 PolarHBondContact O-N 2.78Å; D164-I167 PolarHBondContact O-N 3.36Å; I167-G169 VanDerWaalsContact C-N 3.27Å; I167-G169 PolarHBondContact O-N 3.3Å; I167-F170 WeakPolarHBondContact O-CB 3.2Å; I167-F170 PolarHBondContact O-N 3.39Å; I167-F170 VanDerWaalsContact O-N 3.09Å; I167-I171 HydrophobicContact CG2-CD1 3.85Å; I167-I171 HydrophobicContact CG2-CG1 4.31Å; I167-I171 WeakPolarHBondContact O-CG1 3.48Å; I167-I171 PolarHBondContact O-N 3.46Å
168	D	93.5	Very high	92	Very high	24 Å²	24	47.9 Å²	47.9	13%	0.128	26%	0.258	C	S	.	.	H	α-helix	trans	-56.6	-43.5	173.2	-75.1	-14.5	0	0	0	111	Q152 D164 F170 I171 L172 K192 Y196	Q152-D168 PolarHBondContact NE2-OD1 3.24Å; D164-D168 WeakPolarHBondContact O-CB 3.45Å; D164-D168 VanDerWaalsContact O-CG 3.28Å; D164-D168 PolarHBondContact O-N 2.93Å; D168-F170 PolarHBondContact O-N 2.93Å; D168-I171 PolarHBondContact O-N 3.11Å; D168-L172 WeakPolarHBondContact O-CB 3.25Å; D168-L172 WeakPolarHBondContact O-CD1 3.31Å; D168-L172 WeakPolarHBondContact O-CG 3.33Å; D168-L172 PolarHBondContact O-N 2.77Å; D168-K192 IonicContact OD1-NZ 3.11Å; D168-K192 PolarHBondContact OD1-NZ 2.99Å; D168-K192 IonicContact OD2-NZ 3.09Å; D168-K192 PolarHBondContact OD2-NZ 3.37Å; D168-Y196 HydrophobicContact CB-CE1 4Å; D168-Y196 VanDerWaalsContact OD1-CE1 3.3Å; D168-Y196 WeakPolarHBondContact OD1-CE1 3.37Å; D168-Y196 PolarHBondContact OD1-OH 3.4Å
169	G	92.5	Very high	92	Very high	27 Å²	27	46 Å²	46	28%	0.278	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-39.3	174	0	0	0	0	0	113.6	A165 F166 I167 N173	A165-G169 PolarHBondContact O-N 3Å; A165-G169 VanDerWaalsContact O-N 3.08Å; F166-G169 PolarHBondContact O-N 3.27Å; I167-G169 VanDerWaalsContact C-N 3.27Å; I167-G169 PolarHBondContact O-N 3.3Å; G169-N173 PolarHBondContact O-N 3.22Å; G169-N173 VanDerWaalsContact O-N 3.17Å; G169-N173 PolarHBondContact O-ND2 2.96Å
170	F	92.9	Very high	91.9	Very high	35 Å²	35	44.8 Å²	44.8	15%	0.154	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-48.3	174.7	178.5	-96.4	0	0	0	111.6	V143 E145 Y148 F166 I167 D168 L172 N173 H174 L178	V143-F170 HydrophobicContact CG1-CB 4.26Å; V143-F170 HydrophobicContact CG1-CD1 3.79Å; V143-F170 HydrophobicContact CG1-CD2 3.99Å; V143-F170 HydrophobicContact CG1-CE1 4.09Å; V143-F170 HydrophobicContact CG1-CE2 4.28Å; V143-F170 HydrophobicContact CG1-CG 3.74Å; V143-F170 HydrophobicContact CG1-CZ 4.33Å; E145-F170 HydrophobicContact CG-CZ 4.22Å; Y148-F170 HydrophobicContact CG-CE1 4.46Å; F166-F170 PolarHBondContact O-N 3.16Å; I167-F170 WeakPolarHBondContact O-CB 3.2Å; I167-F170 PolarHBondContact O-N 3.39Å; I167-F170 VanDerWaalsContact O-N 3.09Å; D168-F170 PolarHBondContact O-N 2.93Å; F170-L172 PolarHBondContact O-N 3.07Å; F170-N173 PolarHBondContact O-N 2.99Å; F170-H174 AromaticContact CE2-CD2 3.98Å; F170-H174 AromaticContact CE2-NE2 3.97Å; F170-H174 PolarHBondContact O-CD2 2.95Å; F170-H174 PolarHBondContact O-N 2.92Å; F170-H174 VanDerWaalsContact O-N 3.15Å; F170-L178 HydrophobicContact CD1-CD1 4.49Å; F170-L178 HydrophobicContact CE1-CD1 4.14Å
171	I	92.9	Very high	91.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-45.7	178.1	-68.2	167.1	0	0	0	110.7	Y148 I167 D168 N173 H174 F175 F184 Y196	Y148-I171 HydrophobicContact CD2-CD1 3.81Å; Y148-I171 HydrophobicContact CD2-CG1 3.68Å; Y148-I171 HydrophobicContact CE2-CD1 4.13Å; Y148-I171 HydrophobicContact CE2-CG1 4.02Å; I167-I171 HydrophobicContact CG2-CD1 3.85Å; I167-I171 HydrophobicContact CG2-CG1 4.31Å; I167-I171 WeakPolarHBondContact O-CG1 3.48Å; I167-I171 PolarHBondContact O-N 3.46Å; D168-I171 PolarHBondContact O-N 3.11Å; I171-N173 VanDerWaalsContact C-N 3.3Å; I171-N173 PolarHBondContact O-N 3.38Å; I171-H174 CarbonylContact O-C 3.36Å; I171-H174 PolarHBondContact O-N 3.3Å; I171-F175 HydrophobicContact CG2-CD2 4.31Å; I171-F175 VanDerWaalsContact O-CA 3.24Å; I171-F175 WeakPolarHBondContact O-CA 3.36Å; I171-F175 WeakPolarHBondContact O-CB 3.47Å; I171-F175 PolarHBondContact O-N 3.14Å; I171-F184 HydrophobicContact CG2-CE2 4Å; I171-Y196 HydrophobicContact CD1-CE2 4.19Å; I171-Y196 WeakPolarHBondContact CD1-OH 3.5Å; I171-Y196 HydrophobicContact CG2-CD2 4.08Å; I171-Y196 HydrophobicContact CG2-CE1 4.45Å; I171-Y196 HydrophobicContact CG2-CE2 3.9Å; I171-Y196 HydrophobicContact CG2-CG 4.44Å
172	L	91.5	Very high	91.7	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.12	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-39.2	178.8	-73.9	168.2	0	0	0	112.2	D168 F170 H174 Y196 E201 V202	D168-L172 WeakPolarHBondContact O-CB 3.25Å; D168-L172 WeakPolarHBondContact O-CD1 3.31Å; D168-L172 WeakPolarHBondContact O-CG 3.33Å; D168-L172 PolarHBondContact O-N 2.77Å; F170-L172 PolarHBondContact O-N 3.07Å; L172-H174 VanDerWaalsContact C-N 3.35Å; L172-Y196 HydrophobicContact CD2-CD1 4.08Å; L172-Y196 HydrophobicContact CG-CD1 4.24Å; L172-E201 HydrophobicContact CB-CB 4.02Å; L172-E201 HydrophobicContact CD1-CB 4.14Å; L172-E201 HydrophobicContact CD1-CG 4.32Å; L172-E201 HydrophobicContact CD2-CB 4.41Å; L172-E201 HydrophobicContact CG-CB 4.43Å; L172-V202 HydrophobicContact CD2-CG1 3.88Å
173	N	89.8	Confident	91.5	Very high	83 Å²	83	41.4 Å²	41.4	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-70.8	-28.7	178.6	-79.5	-49.1	0	0	0	113.7	G169 F170 I171	G169-N173 PolarHBondContact O-N 3.22Å; G169-N173 VanDerWaalsContact O-N 3.17Å; G169-N173 PolarHBondContact O-ND2 2.96Å; F170-N173 PolarHBondContact O-N 2.99Å; I171-N173 VanDerWaalsContact C-N 3.3Å; I171-N173 PolarHBondContact O-N 3.38Å
174	H	89.6	Confident	91.4	Very high	69 Å²	69	41.5 Å²	41.5	32%	0.319	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	18	-177.9	-67.6	-104.7	0	0	0	112.6	E145 F170 I171 L172 G176 T177 L178	E145-H174 IonicContact OE1-ND1 3.32Å; F170-H174 AromaticContact CE2-CD2 3.98Å; F170-H174 AromaticContact CE2-NE2 3.97Å; F170-H174 PolarHBondContact O-CD2 2.95Å; F170-H174 PolarHBondContact O-N 2.92Å; F170-H174 VanDerWaalsContact O-N 3.15Å; I171-H174 CarbonylContact O-C 3.36Å; I171-H174 PolarHBondContact O-N 3.3Å; L172-H174 VanDerWaalsContact C-N 3.35Å; H174-G176 VanDerWaalsContact C-N 3.33Å; H174-G176 PolarHBondContact O-N 3.09Å; H174-T177 PolarHBondContact O-N 3.35Å; H174-T177 VanDerWaalsContact O-N 3.13Å; H174-T177 PolarHBondContact O-OG1 3Å; H174-L178 HydrophobicContact CB-CD1 3.69Å; H174-L178 HydrophobicContact CB-CG 3.97Å; H174-L178 WeakPolarHBondContact O-CG 3.38Å; H174-L178 PolarHBondContact O-N 3.2Å
175	F	91.7	Very high	91.2	Very high	3 Å²	3	40 Å²	40	1%	0.013	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-41.1	-169.6	-169.6	-91.7	0	0	0	112.6	I171 T177 L178 S179 F184 Y196 L197 V202 L210 A213	I171-F175 HydrophobicContact CG2-CD2 4.31Å; I171-F175 VanDerWaalsContact O-CA 3.24Å; I171-F175 WeakPolarHBondContact O-CA 3.36Å; I171-F175 WeakPolarHBondContact O-CB 3.47Å; I171-F175 PolarHBondContact O-N 3.14Å; F175-T177 PolarHBondContact O-N 3.08Å; F175-T177 VanDerWaalsContact O-N 3.17Å; F175-L178 PolarHBondContact O-N 3.49Å; F175-S179 WeakPolarHBondContact O-CB 3.42Å; F175-S179 PolarHBondContact O-N 2.94Å; F175-S179 PolarHBondContact O-OG 3.39Å; F175-F184 AromaticContact CE2-CZ 3.88Å; F175-F184 HydrophobicContact CE2-CZ 3.88Å; F175-Y196 HydrophobicContact CE2-CD2 4.42Å; F175-Y196 HydrophobicContact CE2-CG 4.48Å; F175-L197 HydrophobicContact CE1-CD2 4.28Å; F175-L197 HydrophobicContact CZ-CD2 3.88Å; F175-V202 HydrophobicContact CB-CG1 3.71Å; F175-V202 HydrophobicContact CD1-CG1 4Å; F175-V202 HydrophobicContact CD2-CG1 4.16Å; F175-V202 HydrophobicContact CG-CG1 3.68Å; F175-L210 HydrophobicContact CD1-CD2 3.71Å; F175-L210 HydrophobicContact CE1-CD2 3.43Å; F175-L210 VanDerWaalsContact CE1-CD2 3.43Å; F175-L210 HydrophobicContact CZ-CD2 4.44Å; F175-A213 HydrophobicContact CE1-CB 4.43Å
176	G	86.8	Confident	91	Very high	19 Å²	19	42.7 Å²	42.7	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-24	-179.7	0	0	0	0	0	115	H174 F180 E205	H174-G176 VanDerWaalsContact C-N 3.33Å; H174-G176 PolarHBondContact O-N 3.09Å; G176-F180 VanDerWaalsContact O-CD2 3.31Å; G176-F180 WeakPolarHBondContact O-CD2 3.18Å; G176-F180 WeakPolarHBondContact O-CE2 3.24Å; G176-E205 WeakPolarHBondContact CA-OE1 3.48Å
177	T	89.1	Confident	90.7	Very high	87 Å²	87	43 Å²	43	53%	0.534	24%	0.24	S	C	.	.	H	α-helix	trans	-98.2	-45	174.8	49.1	0	0	0	0	112	H174 F175	H174-T177 PolarHBondContact O-N 3.35Å; H174-T177 VanDerWaalsContact O-N 3.13Å; H174-T177 PolarHBondContact O-OG1 3Å; F175-T177 PolarHBondContact O-N 3.08Å; F175-T177 VanDerWaalsContact O-N 3.17Å
178	L	91.3	Very high	90.6	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-69.8	-35.8	-174.7	-65.6	179.2	0	0	0	112.9	E145 Y148 F170 H174 F175 F180 T181 F184	E145-L178 HydrophobicContact CB-CD2 4.26Å; E145-L178 HydrophobicContact CG-CD2 4.3Å; Y148-L178 HydrophobicContact CE1-CD1 4.33Å; Y148-L178 HydrophobicContact CE1-CD2 3.83Å; Y148-L178 HydrophobicContact CE2-CD1 4.35Å; F170-L178 HydrophobicContact CD1-CD1 4.49Å; F170-L178 HydrophobicContact CE1-CD1 4.14Å; H174-L178 HydrophobicContact CB-CD1 3.69Å; H174-L178 HydrophobicContact CB-CG 3.97Å; H174-L178 WeakPolarHBondContact O-CG 3.38Å; H174-L178 PolarHBondContact O-N 3.2Å; F175-L178 PolarHBondContact O-N 3.49Å; L178-F180 PolarHBondContact O-N 3.17Å; L178-F180 VanDerWaalsContact O-N 3.1Å; L178-T181 WeakPolarHBondContact O-CB 3.4Å; L178-T181 PolarHBondContact O-N 2.9Å; L178-T181 PolarHBondContact O-OG1 3.36Å; L178-F184 WeakPolarHBondContact O-CB 3.4Å; L178-F184 WeakPolarHBondContact O-CG 3.26Å
179	S	90.9	Very high	90.5	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.014	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.2	-174.2	60	0	0	0	0	114.8	F175 L185	F175-S179 WeakPolarHBondContact O-CB 3.42Å; F175-S179 PolarHBondContact O-N 2.94Å; F175-S179 PolarHBondContact O-OG 3.39Å; S179-L185 WeakPolarHBondContact O-CD2 3.4Å
180	F	89.6	Confident	90.5	Very high	68 Å²	68	45.7 Å²	45.7	30%	0.298	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-0.7	177.8	-60.8	-75.7	0	0	0	113.5	G176 L178 Q212 A213	G176-F180 VanDerWaalsContact O-CD2 3.31Å; G176-F180 WeakPolarHBondContact O-CD2 3.18Å; G176-F180 WeakPolarHBondContact O-CE2 3.24Å; L178-F180 PolarHBondContact O-N 3.17Å; L178-F180 VanDerWaalsContact O-N 3.1Å; F180-Q212 HydrophobicContact CE1-CB 4.33Å; F180-Q212 HydrophobicContact CE1-CG 4.06Å; F180-A213 HydrophobicContact CE1-CB 4.3Å; F180-A213 HydrophobicContact CZ-CB 4.33Å
181	T	91.9	Very high	90.4	Very high	41 Å²	41	51.1 Å²	51.1	25%	0.252	28%	0.277	S	S	.	.	S	Bend	trans	-74.8	144.5	178.6	63.5	0	0	0	0	110.9	L178 D183 F184 L185	L178-T181 WeakPolarHBondContact O-CB 3.4Å; L178-T181 PolarHBondContact O-N 2.9Å; L178-T181 PolarHBondContact O-OG1 3.36Å; T181-D183 PolarHBondContact O-N 2.88Å; T181-F184 PolarHBondContact O-N 3.01Å; T181-F184 WeakPolarHBondContact OG1-CB 3.46Å; T181-F184 PolarHBondContact OG1-N 3.37Å; T181-L185 WeakPolarHBondContact O-CG 3.38Å; T181-L185 PolarHBondContact O-N 3.33Å; T181-L185 VanDerWaalsContact O-N 3.07Å
182	P	89	Confident	90.4	Very high	97 Å²	97	52.8 Å²	52.8	63%	0.63	28%	0.284	S	S	*	.	H	α-helix	trans	-56.4	-40.5	177.2	-25.4	34.5	0	0	0	112.8	F184 L185 Q186	P182-F184 PolarHBondContact O-N 3.19Å; P182-L185 PolarHBondContact O-N 3.35Å; P182-Q186 WeakPolarHBondContact O-CB 3.31Å; P182-Q186 PolarHBondContact O-N 3.23Å
183	D	89.2	Confident	90.5	Very high	96 Å²	96	51.7 Å²	51.7	51%	0.513	28%	0.279	S	S	.	.	H	α-helix	trans	-65.8	-40.7	-177.6	-56.6	-35.9	0	0	0	111.7	L149 T181 Q186 N187	L149-D183 HydrophobicContact CD1-CB 3.46Å; L149-D183 VanDerWaalsContact CD1-CB 3.46Å; L149-D183 WeakPolarHBondContact CD1-O 3.19Å; T181-D183 PolarHBondContact O-N 2.88Å; D183-Q186 PolarHBondContact O-N 3.49Å; D183-N187 VanDerWaalsContact O-CB 3.31Å; D183-N187 WeakPolarHBondContact O-CB 3.37Å; D183-N187 PolarHBondContact O-N 3.21Å; D183-N187 PolarHBondContact O-ND2 2.9Å; D183-N187 VanDerWaalsContact O-ND2 3.08Å
184	F	91.9	Very high	90.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-49.2	174.3	-176.1	-82.8	0	0	0	111.2	Y148 I171 F175 L178 T181 P182 Q186 V188 L193 Y196	Y148-F184 HydrophobicContact CE2-CD2 4.43Å; I171-F184 HydrophobicContact CG2-CE2 4Å; F175-F184 AromaticContact CE2-CZ 3.88Å; F175-F184 HydrophobicContact CE2-CZ 3.88Å; L178-F184 WeakPolarHBondContact O-CB 3.4Å; L178-F184 WeakPolarHBondContact O-CG 3.26Å; T181-F184 PolarHBondContact O-N 3.01Å; T181-F184 WeakPolarHBondContact OG1-CB 3.46Å; T181-F184 PolarHBondContact OG1-N 3.37Å; P182-F184 PolarHBondContact O-N 3.19Å; F184-Q186 PolarHBondContact O-N 3.09Å; F184-V188 HydrophobicContact CD1-CG2 4.26Å; F184-V188 HydrophobicContact CD2-CG2 3.62Å; F184-V188 HydrophobicContact CE1-CB 4.5Å; F184-V188 HydrophobicContact CE1-CG2 4.35Å; F184-V188 HydrophobicContact CE2-CG2 3.73Å; F184-V188 HydrophobicContact CG-CG2 3.88Å; F184-V188 HydrophobicContact CZ-CB 4.46Å; F184-V188 HydrophobicContact CZ-CG1 4.28Å; F184-V188 HydrophobicContact CZ-CG2 4.1Å; F184-V188 WeakPolarHBondContact O-CB 3.19Å; F184-V188 WeakPolarHBondContact O-CG2 3.46Å; F184-V188 PolarHBondContact O-N 3.13Å; F184-L193 HydrophobicContact CE1-CD1 4.1Å; F184-L193 HydrophobicContact CZ-CD1 4.2Å; F184-Y196 HydrophobicContact CE2-CD2 4.47Å; F184-Y196 HydrophobicContact CE2-CE2 4.5Å; F184-Y196 HydrophobicContact CZ-CD2 4.28Å
185	L	89.5	Confident	90.8	Very high	9 Å²	9	49 Å²	49	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-31.8	-177.8	-68.4	174.1	0	0	0	111.8	S179 T181 P182 Q216 W217 Q220 R224	S179-L185 WeakPolarHBondContact O-CD2 3.4Å; T181-L185 WeakPolarHBondContact O-CG 3.38Å; T181-L185 PolarHBondContact O-N 3.33Å; T181-L185 VanDerWaalsContact O-N 3.07Å; P182-L185 PolarHBondContact O-N 3.35Å; L185-Q216 HydrophobicContact CD1-CB 4.37Å; L185-Q216 HydrophobicContact CD2-CB 4Å; L185-W217 HydrophobicContact CD2-CB 3.91Å; L185-Q220 HydrophobicContact CB-CG 3.92Å; L185-R224 PolarHBondContact O-NH1 3.26Å
186	Q	89.1	Confident	90.9	Very high	116 Å²	116	48.9 Å²	48.9	54%	0.542	27%	0.27	S	S	.	.	H	α-helix	trans	-84.6	-46.6	-179.6	-170	167.2	7.8	0	0	113	P182 D183 F184 R224	P182-Q186 WeakPolarHBondContact O-CB 3.31Å; P182-Q186 PolarHBondContact O-N 3.23Å; D183-Q186 PolarHBondContact O-N 3.49Å; F184-Q186 PolarHBondContact O-N 3.09Å; Q186-R224 PolarHBondContact O-NH2 3.04Å
187	N	88.8	Confident	91.2	Very high	99 Å²	99	48 Å²	48	53%	0.529	26%	0.261	S	S	.	.	H	α-helix	trans	-99.3	-17.9	-162.6	-59.3	-45.4	0	0	0	114.7	L149 D183	L149-N187 HydrophobicContact CD1-CB 4.35Å; D183-N187 VanDerWaalsContact O-CB 3.31Å; D183-N187 WeakPolarHBondContact O-CB 3.37Å; D183-N187 PolarHBondContact O-N 3.21Å; D183-N187 PolarHBondContact O-ND2 2.9Å; D183-N187 VanDerWaalsContact O-ND2 3.08Å
188	V	90.7	Very high	91.3	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	26%	0.258	C	S	.	.			trans	-74.9	130.4	-179.1	176.1	0	0	0	0	111.4	L149 F184 K192 L193 Y196 W217	L149-V188 HydrophobicContact CD2-CG2 3.84Å; F184-V188 HydrophobicContact CD1-CG2 4.26Å; F184-V188 HydrophobicContact CD2-CG2 3.62Å; F184-V188 HydrophobicContact CE1-CB 4.5Å; F184-V188 HydrophobicContact CE1-CG2 4.35Å; F184-V188 HydrophobicContact CE2-CG2 3.73Å; F184-V188 HydrophobicContact CG-CG2 3.88Å; F184-V188 HydrophobicContact CZ-CB 4.46Å; F184-V188 HydrophobicContact CZ-CG1 4.28Å; F184-V188 HydrophobicContact CZ-CG2 4.1Å; F184-V188 WeakPolarHBondContact O-CB 3.19Å; F184-V188 WeakPolarHBondContact O-CG2 3.46Å; F184-V188 PolarHBondContact O-N 3.13Å; V188-K192 HydrophobicContact CG1-CB 4.06Å; V188-L193 HydrophobicContact CG1-CB 4.3Å; V188-Y196 HydrophobicContact CG1-CE2 4.21Å; V188-W217 PolarHBondContact O-NE1 3.45Å
189	S	91.4	Very high	91.2	Very high	57 Å²	57	48.1 Å²	48.1	40%	0.399	27%	0.266	S	S	.	.			trans	-72.1	154.5	178.1	76.9	0	0	0	0	112.6	Q191 K192 L193	S189-Q191 VanDerWaalsContact C-N 3.27Å; S189-Q191 PolarHBondContact O-N 2.9Å; S189-K192 PolarHBondContact O-N 3.24Å; S189-K192 PolarHBondContact OG-N 3.02Å; S189-L193 PolarHBondContact O-N 2.74Å
190	M	92.4	Very high	90.9	Very high	47 Å²	47	49.5 Å²	49.5	23%	0.232	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-41.9	177.4	-176.6	-84.7	-74.1	0	0	112.4	L193 C194 W217 H227 Q230 V231	M190-L193 PolarHBondContact O-N 3.48Å; M190-C194 PolarHBondContact O-N 3.16Å; M190-C194 PolarHBondContact O-SG 3.42Å; M190-W217 HydrophobicContact CB-CH2 3.71Å; M190-W217 HydrophobicContact CB-CZ2 4.14Å; M190-W217 HydrophobicContact CG-CH2 4.03Å; M190-H227 HydrophobicContact CG-CB 4.06Å; M190-Q230 VanDerWaalsContact CE-OE1 3.29Å; M190-V231 HydrophobicContact CG-CG2 4.17Å
191	Q	91.9	Very high	90.6	Very high	149 Å²	149	50.8 Å²	50.8	70%	0.696	28%	0.282	S	S	*	.	H	α-helix	trans	-63.7	-46.8	-178.1	-67.6	176.8	-7.8	0	0	111.1	S189 C194 V195	S189-Q191 VanDerWaalsContact C-N 3.27Å; S189-Q191 PolarHBondContact O-N 2.9Å; Q191-C194 PolarHBondContact O-N 3.24Å; Q191-V195 WeakPolarHBondContact O-CG2 3.35Å; Q191-V195 PolarHBondContact O-N 3.5Å
192	K	91.8	Very high	90.2	Very high	35 Å²	35	48.9 Å²	48.9	15%	0.152	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-44	176.8	-75.7	-68.9	-165	164.7	0	111.6	D164 D168 V188 S189 C194 V195 Y196	D164-K192 WeakPolarHBondContact OD1-CE 3.34Å; D164-K192 IonicContact OD1-NZ 2.66Å; D164-K192 PolarHBondContact OD1-NZ 3.16Å; D164-K192 IonicContact OD2-NZ 3.77Å; D164-K192 PolarHBondContact OD2-NZ 2.93Å; D168-K192 IonicContact OD1-NZ 3.11Å; D168-K192 PolarHBondContact OD1-NZ 2.99Å; D168-K192 IonicContact OD2-NZ 3.09Å; D168-K192 PolarHBondContact OD2-NZ 3.37Å; V188-K192 HydrophobicContact CG1-CB 4.06Å; S189-K192 PolarHBondContact O-N 3.24Å; S189-K192 PolarHBondContact OG-N 3.02Å; K192-C194 VanDerWaalsContact C-N 3.33Å; K192-C194 PolarHBondContact O-N 3Å; K192-V195 WeakPolarHBondContact O-CB 3.46Å; K192-V195 PolarHBondContact O-N 3.45Å; K192-V195 VanDerWaalsContact O-N 3.14Å; K192-Y196 HydrophobicContact CB-CE2 3.93Å; K192-Y196 VanDerWaalsContact O-CD2 3.25Å; K192-Y196 WeakPolarHBondContact O-CD2 3.43Å; K192-Y196 PolarHBondContact O-N 3.15Å
193	L	93.8	Very high	89.6	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-43.8	176.4	-177.3	65	0	0	0	112.1	F184 V188 S189 M190 V195 Y196 L197 W217 V231	F184-L193 HydrophobicContact CE1-CD1 4.1Å; F184-L193 HydrophobicContact CZ-CD1 4.2Å; V188-L193 HydrophobicContact CG1-CB 4.3Å; S189-L193 PolarHBondContact O-N 2.74Å; M190-L193 PolarHBondContact O-N 3.48Å; L193-V195 VanDerWaalsContact C-N 3.32Å; L193-V195 PolarHBondContact O-N 2.9Å; L193-Y196 PolarHBondContact O-N 3.49Å; L193-L197 HydrophobicContact CD1-CD1 4.08Å; L193-L197 HydrophobicContact CD1-CG 4.07Å; L193-L197 HydrophobicContact CD2-CD1 4.4Å; L193-L197 HydrophobicContact CG-CD1 3.88Å; L193-L197 HydrophobicContact CG-CG 4.25Å; L193-L197 WeakPolarHBondContact O-CB 3.5Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 3.26Å; L193-W217 HydrophobicContact CD2-CB 4.04Å; L193-W217 HydrophobicContact CD2-CD2 3.34Å; L193-W217 HydrophobicContact CD2-CE3 3.55Å; L193-W217 HydrophobicContact CD2-CG 3.56Å; L193-W217 HydrophobicContact CD2-CZ2 4.46Å; L193-W217 HydrophobicContact CD2-CZ3 4.22Å; L193-V231 HydrophobicContact CD2-CG1 3.87Å; L193-V231 HydrophobicContact CD2-CG2 4.49Å; L193-V231 HydrophobicContact CG-CG1 4.47Å
194	C	93.8	Very high	89.1	Confident	20 Å²	20	49.3 Å²	49.3	14%	0.135	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-41.5	176.4	-67.7	0	0	0	0	111.6	M190 Q191 K192 L197 S198	M190-C194 PolarHBondContact O-N 3.16Å; M190-C194 PolarHBondContact O-SG 3.42Å; Q191-C194 PolarHBondContact O-N 3.24Å; K192-C194 VanDerWaalsContact C-N 3.33Å; K192-C194 PolarHBondContact O-N 3Å; C194-L197 PolarHBondContact O-N 3.39Å; C194-S198 WeakPolarHBondContact O-CB 3.39Å; C194-S198 PolarHBondContact O-N 2.92Å; C194-S198 PolarHBondContact O-OG 2.86Å; C194-S198 VanDerWaalsContact O-OG 3.12Å
195	V	93.1	Very high	88.6	Confident	76 Å²	76	52 Å²	52	46%	0.461	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-48.1	174.8	171.6	0	0	0	0	110.5	Q191 K192 L193 S198 S199	Q191-V195 WeakPolarHBondContact O-CG2 3.35Å; Q191-V195 PolarHBondContact O-N 3.5Å; K192-V195 WeakPolarHBondContact O-CB 3.46Å; K192-V195 PolarHBondContact O-N 3.45Å; K192-V195 VanDerWaalsContact O-N 3.14Å; L193-V195 VanDerWaalsContact C-N 3.32Å; L193-V195 PolarHBondContact O-N 2.9Å; V195-S198 PolarHBondContact O-N 3.2Å; V195-S198 PolarHBondContact O-OG 3.12Å; V195-S199 PolarHBondContact O-N 3.24Å; V195-S199 VanDerWaalsContact O-N 3.14Å
196	Y	93	Very high	88.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-47.6	179.4	-55.8	-31.9	0	0	0	112.6	Q152 D168 I171 L172 F175 F184 V188 K192 L193 S198 S199 V202	Q152-Y196 PolarHBondContact NE2-OH 3.36Å; D168-Y196 HydrophobicContact CB-CE1 4Å; D168-Y196 VanDerWaalsContact OD1-CE1 3.3Å; D168-Y196 WeakPolarHBondContact OD1-CE1 3.37Å; D168-Y196 PolarHBondContact OD1-OH 3.4Å; I171-Y196 HydrophobicContact CD1-CE2 4.19Å; I171-Y196 WeakPolarHBondContact CD1-OH 3.5Å; I171-Y196 HydrophobicContact CG2-CD2 4.08Å; I171-Y196 HydrophobicContact CG2-CE1 4.45Å; I171-Y196 HydrophobicContact CG2-CE2 3.9Å; I171-Y196 HydrophobicContact CG2-CG 4.44Å; L172-Y196 HydrophobicContact CD2-CD1 4.08Å; L172-Y196 HydrophobicContact CG-CD1 4.24Å; F175-Y196 HydrophobicContact CE2-CD2 4.42Å; F175-Y196 HydrophobicContact CE2-CG 4.48Å; F184-Y196 HydrophobicContact CE2-CD2 4.47Å; F184-Y196 HydrophobicContact CE2-CE2 4.5Å; F184-Y196 HydrophobicContact CZ-CD2 4.28Å; V188-Y196 HydrophobicContact CG1-CE2 4.21Å; K192-Y196 HydrophobicContact CB-CE2 3.93Å; K192-Y196 VanDerWaalsContact O-CD2 3.25Å; K192-Y196 WeakPolarHBondContact O-CD2 3.43Å; K192-Y196 PolarHBondContact O-N 3.15Å; L193-Y196 PolarHBondContact O-N 3.49Å; Y196-S198 PolarHBondContact O-N 3.14Å; Y196-S199 WeakPolarHBondContact O-CB 2.98Å; Y196-S199 PolarHBondContact O-N 2.88Å; Y196-V202 WeakPolarHBondContact O-CG2 3.39Å
197	L	92.3	Very high	88.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.8	-21	178.2	-67.4	177.8	0	0	0	113.1	F175 L193 C194 L210 A214 V231 N234 I235 R291	F175-L197 HydrophobicContact CE1-CD2 4.28Å; F175-L197 HydrophobicContact CZ-CD2 3.88Å; L193-L197 HydrophobicContact CD1-CD1 4.08Å; L193-L197 HydrophobicContact CD1-CG 4.07Å; L193-L197 HydrophobicContact CD2-CD1 4.4Å; L193-L197 HydrophobicContact CG-CD1 3.88Å; L193-L197 HydrophobicContact CG-CG 4.25Å; L193-L197 WeakPolarHBondContact O-CB 3.5Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 3.26Å; C194-L197 PolarHBondContact O-N 3.39Å; L197-L210 HydrophobicContact CD2-CB 4.22Å; L197-L210 HydrophobicContact CD2-CD2 4.31Å; L197-A214 HydrophobicContact CD1-CB 3.95Å; L197-V231 HydrophobicContact CD1-CG1 3.66Å; L197-N234 HydrophobicContact CB-CB 3.76Å; L197-I235 HydrophobicContact CD1-CD1 4.24Å; L197-I235 HydrophobicContact CD2-CD1 3.98Å; L197-R291 VanDerWaalsContact O-CZ 3.24Å; L197-R291 PolarHBondContact O-NH1 3.16Å; L197-R291 PolarHBondContact O-NH2 3.47Å; L197-R291 VanDerWaalsContact O-NH2 3.16Å
198	S	91.6	Very high	88.4	Confident	68 Å²	68	47.8 Å²	47.8	48%	0.476	25%	0.25	S	S	.	.	H	α-helix	trans	-87.3	-13.4	175.4	73.3	0	0	0	0	113.4	C194 V195 Y196	C194-S198 WeakPolarHBondContact O-CB 3.39Å; C194-S198 PolarHBondContact O-N 2.92Å; C194-S198 PolarHBondContact O-OG 2.86Å; C194-S198 VanDerWaalsContact O-OG 3.12Å; V195-S198 PolarHBondContact O-N 3.2Å; V195-S198 PolarHBondContact O-OG 3.12Å; Y196-S198 PolarHBondContact O-N 3.14Å
199	S	90	Very high	88.4	Confident	25 Å²	25	50.2 Å²	50.2	18%	0.175	26%	0.263	C	S	.	.			trans	-72.2	147.8	-174	-174.7	0	0	0	0	112.5	V195 Y196 E201 V202 R291	V195-S199 PolarHBondContact O-N 3.24Å; V195-S199 VanDerWaalsContact O-N 3.14Å; Y196-S199 WeakPolarHBondContact O-CB 2.98Å; Y196-S199 PolarHBondContact O-N 2.88Å; S199-E201 VanDerWaalsContact C-N 3.29Å; S199-E201 PolarHBondContact OG-N 3.48Å; S199-E201 VanDerWaalsContact OG-N 3.16Å; S199-V202 WeakPolarHBondContact O-CG2 3.38Å; S199-R291 PolarHBondContact O-NH1 2.94Å
200	S	84.9	Confident	88.4	Confident	31 Å²	31	47.6 Å²	47.6	22%	0.217	25%	0.245	C	C	.	.	S	Bend	trans	-74.3	-19.6	168.9	48.6	0	0	0	0	112.9	V202 Q203 R291	S200-V202 VanDerWaalsContact C-N 3.26Å; S200-V202 PolarHBondContact O-N 3.34Å; S200-Q203 VanDerWaalsContact O-CB 3.25Å; S200-Q203 WeakPolarHBondContact O-CB 3.17Å; S200-Q203 VanDerWaalsContact O-CG 3.27Å; S200-Q203 WeakPolarHBondContact O-CG 3.49Å; S200-Q203 PolarHBondContact O-N 3.26Å; S200-R291 CarbonylContact C-O 3.59Å; S200-R291 WeakPolarHBondContact CA-O 3.3Å; S200-R291 WeakPolarHBondContact CB-O 3.45Å; S200-R291 VanDerWaalsContact O-O 3.04Å
201	E	83.4	Confident	88.4	Confident	95 Å²	95	45.5 Å²	45.5	44%	0.444	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.3	-174.8	-61.7	-55.1	128.8	0	0	113	L172 S199 Q203	L172-E201 HydrophobicContact CB-CB 4.02Å; L172-E201 HydrophobicContact CD1-CB 4.14Å; L172-E201 HydrophobicContact CD1-CG 4.32Å; L172-E201 HydrophobicContact CD2-CB 4.41Å; L172-E201 HydrophobicContact CG-CB 4.43Å; S199-E201 VanDerWaalsContact C-N 3.29Å; S199-E201 PolarHBondContact OG-N 3.48Å; S199-E201 VanDerWaalsContact OG-N 3.16Å; E201-Q203 PolarHBondContact O-N 2.94Å
202	V	81.8	Confident	88.4	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.012	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	12.5	173.5	-76.1	0	0	0	0	113.9	L172 F175 Y196 S199 S200 R204 E205 L210	L172-V202 HydrophobicContact CD2-CG1 3.88Å; F175-V202 HydrophobicContact CB-CG1 3.71Å; F175-V202 HydrophobicContact CD1-CG1 4Å; F175-V202 HydrophobicContact CD2-CG1 4.16Å; F175-V202 HydrophobicContact CG-CG1 3.68Å; Y196-V202 WeakPolarHBondContact O-CG2 3.39Å; S199-V202 WeakPolarHBondContact O-CG2 3.38Å; S200-V202 VanDerWaalsContact C-N 3.26Å; S200-V202 PolarHBondContact O-N 3.34Å; V202-R204 PolarHBondContact O-N 2.87Å; V202-E205 PolarHBondContact O-N 3.26Å; V202-L210 HydrophobicContact CB-CD2 4.3Å; V202-L210 HydrophobicContact CG2-CD1 4.36Å
203	Q	76.9	Confident	88.4	Confident	45 Å²	45	40.5 Å²	40.5	21%	0.21	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-8.4	175.4	60.1	-179.5	-9.8	0	0	115.9	S200 E201 R291 T292 P597	S200-Q203 VanDerWaalsContact O-CB 3.25Å; S200-Q203 WeakPolarHBondContact O-CB 3.17Å; S200-Q203 VanDerWaalsContact O-CG 3.27Å; S200-Q203 WeakPolarHBondContact O-CG 3.49Å; S200-Q203 PolarHBondContact O-N 3.26Å; E201-Q203 PolarHBondContact O-N 2.94Å; Q203-R291 HydrophobicContact CB-CB 4.04Å; Q203-T292 PolarHBondContact OE1-OG1 2.92Å; Q203-P597 HydrophobicContact CB-CG 4.35Å; Q203-P597 HydrophobicContact CG-CG 3.81Å
204	R	78.8	Confident	88.4	Confident	157 Å²	157	40.5 Å²	40.5	59%	0.592	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-24.9	175.7	-63.3	-178.6	-177	179.5	1.5	113	V202	V202-R204 PolarHBondContact O-N 2.87Å
205	E	81.7	Confident	88.3	Confident	59 Å²	59	40.1 Å²	40.1	28%	0.276	21%	0.209	S	C	.	.	S	Bend	trans	-94.2	143.6	-180	-53.5	-53.1	140.9	0	0	109.3	G176 V202 L210	G176-E205 WeakPolarHBondContact CA-OE1 3.48Å; V202-E205 PolarHBondContact O-N 3.26Å; E205-L210 HydrophobicContact CB-CD2 3.87Å; E205-L210 HydrophobicContact CB-CG 4.15Å; E205-L210 HydrophobicContact CG-CD2 4.41Å
206	C	85.1	Confident	88.2	Confident	65 Å²	65	39.4 Å²	39.4	44%	0.439	20%	0.2	S	C	.	.			trans	-78.4	153.5	175.3	77	0	0	0	0	110.6	H208 D209 L210	C206-H208 PolarHBondContact O-N 2.9Å; C206-D209 PolarHBondContact O-N 3.47Å; C206-D209 PolarHBondContact SG-OD2 3.44Å; C206-L210 PolarHBondContact O-N 3.44Å; C206-L210 VanDerWaalsContact O-N 3.16Å
207	E	90.4	Very high	88.2	Confident	15 Å²	15	39.7 Å²	39.7	7%	0.07	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-25.7	-179.9	-69.2	-57.5	144.3	0	0	113.5	L211 H236 L239 I240 R291	E207-L211 VanDerWaalsContact O-CB 3.23Å; E207-L211 WeakPolarHBondContact O-CB 3.41Å; E207-L211 PolarHBondContact O-N 2.98Å; E207-H236 HydrophobicContact CG-CB 3.97Å; E207-H236 IonicContact OE1-CG 2.69Å; E207-H236 PolarHBondContact OE2-N 3.38Å; E207-L239 HydrophobicContact CG-CB 3.9Å; E207-L239 HydrophobicContact CG-CD1 4.16Å; E207-I240 HydrophobicContact CB-CD1 4.17Å; E207-I240 HydrophobicContact CB-CG1 3.62Å; E207-R291 WeakPolarHBondContact OE1-CD 3.14Å; E207-R291 IonicContact OE1-CZ 3.44Å; E207-R291 IonicContact OE1-NE 3.66Å; E207-R291 PolarHBondContact OE1-NE 2.69Å; E207-R291 IonicContact OE1-NH2 3.18Å; E207-R291 PolarHBondContact OE1-NH2 3.43Å; E207-R291 IonicContact OE2-CZ 3.51Å; E207-R291 IonicContact OE2-NE 3.39Å; E207-R291 IonicContact OE2-NH2 2.87Å; E207-R291 PolarHBondContact OE2-NH2 2.95Å; E207-R291 VanDerWaalsContact OE2-NH2 3.09Å
208	H	88.6	Confident	88.1	Confident	54 Å²	54	39.8 Å²	39.8	25%	0.25	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-42.6	175.1	-175.5	66.2	0	0	0	112	C206 L211 Q212	C206-H208 PolarHBondContact O-N 2.9Å; H208-L211 PolarHBondContact O-N 2.69Å; H208-Q212 PolarHBondContact O-N 3.07Å
209	D	88.8	Confident	88	Confident	54 Å²	54	39.7 Å²	39.7	29%	0.289	20%	0.199	S	C	.	.	H	α-helix	trans	-70.8	-40.2	179.4	-61.4	-32.7	0	0	0	110.8	C206 L211 Q212 A213	C206-D209 PolarHBondContact O-N 3.47Å; C206-D209 PolarHBondContact SG-OD2 3.44Å; D209-L211 VanDerWaalsContact C-N 3.34Å; D209-L211 PolarHBondContact O-N 3.31Å; D209-Q212 WeakPolarHBondContact O-CB 3.21Å; D209-Q212 PolarHBondContact O-N 3.48Å; D209-Q212 VanDerWaalsContact O-N 3.16Å; D209-A213 PolarHBondContact O-N 3.41Å
210	L	92.4	Very high	87.9	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-42.8	173.6	-63	-178.8	0	0	0	111.7	F175 L197 V202 E205 C206 Q212 A213 A214 I235	F175-L210 HydrophobicContact CD1-CD2 3.71Å; F175-L210 HydrophobicContact CE1-CD2 3.43Å; F175-L210 VanDerWaalsContact CE1-CD2 3.43Å; F175-L210 HydrophobicContact CZ-CD2 4.44Å; L197-L210 HydrophobicContact CD2-CB 4.22Å; L197-L210 HydrophobicContact CD2-CD2 4.31Å; V202-L210 HydrophobicContact CB-CD2 4.3Å; V202-L210 HydrophobicContact CG2-CD1 4.36Å; E205-L210 HydrophobicContact CB-CD2 3.87Å; E205-L210 HydrophobicContact CB-CG 4.15Å; E205-L210 HydrophobicContact CG-CD2 4.41Å; C206-L210 PolarHBondContact O-N 3.44Å; C206-L210 VanDerWaalsContact O-N 3.16Å; L210-Q212 VanDerWaalsContact C-N 3.34Å; L210-A213 PolarHBondContact O-N 3.16Å; L210-A214 WeakPolarHBondContact O-CB 3.44Å; L210-A214 PolarHBondContact O-N 3.1Å; L210-I235 HydrophobicContact CB-CD1 3.81Å
211	L	92.7	Very high	88	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-42.9	173.7	174.6	67	0	0	0	111.2	E207 H208 D209 A214 L215 L232 I235 F237 I240 V249	E207-L211 VanDerWaalsContact O-CB 3.23Å; E207-L211 WeakPolarHBondContact O-CB 3.41Å; E207-L211 PolarHBondContact O-N 2.98Å; H208-L211 PolarHBondContact O-N 2.69Å; D209-L211 VanDerWaalsContact C-N 3.34Å; D209-L211 PolarHBondContact O-N 3.31Å; L211-A214 PolarHBondContact O-N 3.29Å; L211-L215 HydrophobicContact CD1-CD1 4.05Å; L211-L215 HydrophobicContact CD1-CG 4.05Å; L211-L215 HydrophobicContact CG-CD1 3.95Å; L211-L215 HydrophobicContact CG-CG 4.33Å; L211-L215 WeakPolarHBondContact O-CB 3.24Å; L211-L215 VanDerWaalsContact O-CG 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.46Å; L211-L215 PolarHBondContact O-N 2.82Å; L211-L232 HydrophobicContact CD1-CD2 3.57Å; L211-I235 HydrophobicContact CB-CG2 4.2Å; L211-F237 HydrophobicContact CD1-CE1 4.07Å; L211-F237 HydrophobicContact CD1-CZ 3.97Å; L211-F237 HydrophobicContact CD2-CE1 4.3Å; L211-I240 HydrophobicContact CD2-CD1 4.17Å; L211-V249 HydrophobicContact CD2-CB 4.14Å; L211-V249 HydrophobicContact CD2-CG1 3.56Å; L211-V249 HydrophobicContact CD2-CG2 3.66Å
212	Q	91.3	Very high	88	Confident	77 Å²	77	46 Å²	46	36%	0.36	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-45.2	179	-172.6	-179.6	-45.7	0	0	111.3	F180 H208 D209 L210 A214 L215 Q216	F180-Q212 HydrophobicContact CE1-CB 4.33Å; F180-Q212 HydrophobicContact CE1-CG 4.06Å; H208-Q212 PolarHBondContact O-N 3.07Å; D209-Q212 WeakPolarHBondContact O-CB 3.21Å; D209-Q212 PolarHBondContact O-N 3.48Å; D209-Q212 VanDerWaalsContact O-N 3.16Å; L210-Q212 VanDerWaalsContact C-N 3.34Å; Q212-A214 PolarHBondContact O-N 3.37Å; Q212-L215 PolarHBondContact O-N 3.1Å; Q212-Q216 WeakPolarHBondContact O-CB 3.33Å; Q212-Q216 WeakPolarHBondContact O-CG 3.49Å; Q212-Q216 PolarHBondContact O-N 3.2Å
213	A	92	Very high	88.2	Confident	2 Å²	2	53.8 Å²	53.8	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-45.2	174.8	0	0	0	0	0	111.7	F175 F180 D209 L210 L215 Q216 W217	F175-A213 HydrophobicContact CE1-CB 4.43Å; F180-A213 HydrophobicContact CE1-CB 4.3Å; F180-A213 HydrophobicContact CZ-CB 4.33Å; D209-A213 PolarHBondContact O-N 3.41Å; L210-A213 PolarHBondContact O-N 3.16Å; A213-L215 PolarHBondContact O-N 3.22Å; A213-Q216 PolarHBondContact O-N 3.15Å; A213-W217 WeakPolarHBondContact O-CB 3.44Å; A213-W217 PolarHBondContact O-N 3.44Å
214	A	93.4	Very high	88.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-45.7	176.8	0	0	0	0	0	112.4	L197 L210 L211 Q212 W217 L218 V231 L232	L197-A214 HydrophobicContact CD1-CB 3.95Å; L210-A214 WeakPolarHBondContact O-CB 3.44Å; L210-A214 PolarHBondContact O-N 3.1Å; L211-A214 PolarHBondContact O-N 3.29Å; Q212-A214 PolarHBondContact O-N 3.37Å; A214-W217 PolarHBondContact O-N 3.31Å; A214-L218 VanDerWaalsContact O-CG 3.27Å; A214-L218 WeakPolarHBondContact O-CG 3.35Å; A214-L218 PolarHBondContact O-N 2.85Å; A214-V231 HydrophobicContact CB-CG1 3.89Å; A214-L232 HydrophobicContact CB-CD2 4.22Å
215	L	91.5	Very high	88.9	Confident	13 Å²	13	48.4 Å²	48.4	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-43.1	178	-70.7	174.6	0	0	0	111.5	L211 Q212 A213 W217 L218 T219 A252 V253 L256 L257	L211-L215 HydrophobicContact CD1-CD1 4.05Å; L211-L215 HydrophobicContact CD1-CG 4.05Å; L211-L215 HydrophobicContact CG-CD1 3.95Å; L211-L215 HydrophobicContact CG-CG 4.33Å; L211-L215 WeakPolarHBondContact O-CB 3.24Å; L211-L215 VanDerWaalsContact O-CG 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.46Å; L211-L215 PolarHBondContact O-N 2.82Å; Q212-L215 PolarHBondContact O-N 3.1Å; A213-L215 PolarHBondContact O-N 3.22Å; L215-W217 VanDerWaalsContact C-N 3.34Å; L215-W217 PolarHBondContact O-N 3.36Å; L215-L218 PolarHBondContact O-N 2.97Å; L215-T219 VanDerWaalsContact O-CG2 3.28Å; L215-T219 WeakPolarHBondContact O-CG2 3.43Å; L215-T219 PolarHBondContact O-N 3.37Å; L215-T219 PolarHBondContact O-OG1 2.85Å; L215-A252 HydrophobicContact CD1-CB 4.44Å; L215-V253 HydrophobicContact CD2-CG2 4.46Å; L215-L256 HydrophobicContact CB-CD1 4.28Å; L215-L256 HydrophobicContact CD1-CD1 4.35Å; L215-L257 HydrophobicContact CD2-CD1 4Å; L215-L257 HydrophobicContact CD2-CG 4.47Å
216	Q	91.1	Very high	89.1	Confident	61 Å²	61	49.8 Å²	49.8	29%	0.285	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-42.7	176.9	-75.3	-174.7	-2.7	0	0	111.9	L185 Q212 A213 L218 T219 Q220	L185-Q216 HydrophobicContact CD1-CB 4.37Å; L185-Q216 HydrophobicContact CD2-CB 4Å; Q212-Q216 WeakPolarHBondContact O-CB 3.33Å; Q212-Q216 WeakPolarHBondContact O-CG 3.49Å; Q212-Q216 PolarHBondContact O-N 3.2Å; A213-Q216 PolarHBondContact O-N 3.15Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 3.4Å; Q216-T219 WeakPolarHBondContact CA-OG1 3.47Å; Q216-T219 PolarHBondContact O-N 3.38Å; Q216-T219 PolarHBondContact O-OG1 3.39Å; Q216-Q220 WeakPolarHBondContact O-CG 3.22Å; Q216-Q220 PolarHBondContact O-N 3.25Å
217	W	93.8	Very high	89.3	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-39.4	176.5	-179.7	94.5	0	0	0	112.4	L185 V188 M190 L193 A213 A214 L215 R224 V231	L185-W217 HydrophobicContact CD2-CB 3.91Å; V188-W217 PolarHBondContact O-NE1 3.45Å; M190-W217 HydrophobicContact CB-CH2 3.71Å; M190-W217 HydrophobicContact CB-CZ2 4.14Å; M190-W217 HydrophobicContact CG-CH2 4.03Å; L193-W217 HydrophobicContact CD2-CB 4.04Å; L193-W217 HydrophobicContact CD2-CD2 3.34Å; L193-W217 HydrophobicContact CD2-CE3 3.55Å; L193-W217 HydrophobicContact CD2-CG 3.56Å; L193-W217 HydrophobicContact CD2-CZ2 4.46Å; L193-W217 HydrophobicContact CD2-CZ3 4.22Å; A213-W217 WeakPolarHBondContact O-CB 3.44Å; A213-W217 PolarHBondContact O-N 3.44Å; A214-W217 PolarHBondContact O-N 3.31Å; L215-W217 VanDerWaalsContact C-N 3.34Å; L215-W217 PolarHBondContact O-N 3.36Å; W217-R224 VanDerWaalsContact CE2-NH1 3.32Å; W217-R224 HydrophobicContact CH2-CB 4.29Å; W217-R224 HydrophobicContact CH2-CG 3.9Å; W217-R224 HydrophobicContact CZ2-CG 4.4Å; W217-R224 HydrophobicContact CZ3-CB 4.01Å; W217-R224 HydrophobicContact CZ3-CG 4.08Å; W217-R224 VanDerWaalsContact NE1-NH1 3.17Å; W217-R224 VanDerWaalsContact O-CD 3.31Å; W217-R224 WeakPolarHBondContact O-CD 3.4Å; W217-R224 PolarHBondContact O-NH1 3.23Å; W217-V231 HydrophobicContact CE3-CG2 4.4Å; W217-V231 HydrophobicContact CZ3-CG2 3.89Å
218	L	90.7	Very high	89.2	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-40.8	175.7	-72.2	167.4	0	0	0	111.6	A214 L215 Q216 Q220 R224 A228 V231 L232 L257	A214-L218 VanDerWaalsContact O-CG 3.27Å; A214-L218 WeakPolarHBondContact O-CG 3.35Å; A214-L218 PolarHBondContact O-N 2.85Å; L215-L218 PolarHBondContact O-N 2.97Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 3.4Å; L218-Q220 VanDerWaalsContact C-N 3.28Å; L218-Q220 PolarHBondContact O-N 3.02Å; L218-R224 HydrophobicContact CD2-CB 4.23Å; L218-R224 VanDerWaalsContact CD2-O 3.26Å; L218-R224 WeakPolarHBondContact CD2-O 3.31Å; L218-A228 HydrophobicContact CD1-CB 3.94Å; L218-A228 HydrophobicContact CD2-CB 4.09Å; L218-V231 HydrophobicContact CD2-CG2 4.34Å; L218-L232 HydrophobicContact CD1-CG 4.43Å; L218-L257 HydrophobicContact CB-CD2 4.47Å; L218-L257 HydrophobicContact CD1-CD1 4.43Å; L218-L257 HydrophobicContact CD1-CD2 4.19Å
219	T	88.6	Confident	89.3	Confident	67 Å²	67	51.9 Å²	51.9	41%	0.411	27%	0.268	S	S	.	.	H	α-helix	trans	-74.2	-11.2	-177.2	57.6	0	0	0	0	114.9	L215 Q216 Q221 L256	L215-T219 VanDerWaalsContact O-CG2 3.28Å; L215-T219 WeakPolarHBondContact O-CG2 3.43Å; L215-T219 PolarHBondContact O-N 3.37Å; L215-T219 PolarHBondContact O-OG1 2.85Å; Q216-T219 WeakPolarHBondContact CA-OG1 3.47Å; Q216-T219 PolarHBondContact O-N 3.38Å; Q216-T219 PolarHBondContact O-OG1 3.39Å; T219-Q221 VanDerWaalsContact C-N 3.34Å; T219-Q221 PolarHBondContact O-N 2.87Å; T219-L256 HydrophobicContact CG2-CB 4.26Å; T219-L256 HydrophobicContact CG2-CD1 4.28Å; T219-L256 HydrophobicContact CG2-CD2 3.93Å; T219-L256 HydrophobicContact CG2-CG 4.38Å
220	Q	88.8	Confident	89.4	Confident	101 Å²	101	54.1 Å²	54.1	47%	0.472	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-32.1	179.2	-69.7	-51.7	-46.1	0	0	113.3	L185 Q216 L218	L185-Q220 HydrophobicContact CB-CG 3.92Å; Q216-Q220 WeakPolarHBondContact O-CG 3.22Å; Q216-Q220 PolarHBondContact O-N 3.25Å; L218-Q220 VanDerWaalsContact C-N 3.28Å; L218-Q220 PolarHBondContact O-N 3.02Å
221	Q	86.3	Confident	89.4	Confident	77 Å²	77	54 Å²	54	36%	0.36	28%	0.277	S	S	.	.			trans	-140.1	126.6	-175.4	-68.3	176.5	-9.1	0	0	109.8	T219 E223 R224	T219-Q221 VanDerWaalsContact C-N 3.34Å; T219-Q221 PolarHBondContact O-N 2.87Å; Q221-E223 PolarHBondContact O-N 3.18Å; Q221-E223 VanDerWaalsContact O-N 3.15Å; Q221-R224 HydrophobicContact CB-CG 3.94Å; Q221-R224 WeakPolarHBondContact O-CB 3.29Å; Q221-R224 PolarHBondContact O-N 3.28Å
222	P	82.9	Confident	89.4	Confident	106 Å²	106	53.9 Å²	53.9	69%	0.688	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-57.8	-31.8	-178.8	-25.1	33.7	0	0	0	113.8	R224 E225	P222-R224 PolarHBondContact O-N 3.2Å; P222-E225 WeakPolarHBondContact O-CB 3.1Å; P222-E225 WeakPolarHBondContact O-CG 3.3Å; P222-E225 PolarHBondContact O-N 3.19Å
223	E	86.3	Confident	89.4	Confident	164 Å²	164	54.7 Å²	54.7	77%	0.766	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-63.5	-25.6	178.6	-62.9	-179.6	-178.5	0	0	112.9	Q221 E225 A226	Q221-E223 PolarHBondContact O-N 3.18Å; Q221-E223 VanDerWaalsContact O-N 3.15Å; E223-E225 VanDerWaalsContact C-N 3.25Å; E223-E225 PolarHBondContact O-N 2.99Å; E223-A226 PolarHBondContact O-N 2.95Å
224	R	87.1	Confident	89.5	Confident	18 Å²	18	56.2 Å²	56.2	7%	0.068	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-73.2	-18	-179.1	-65.4	176.7	-176	-172.9	-3.6	112.9	L185 Q186 W217 L218 Q221 P222 A226 H227 A228	L185-R224 PolarHBondContact O-NH1 3.26Å; Q186-R224 PolarHBondContact O-NH2 3.04Å; W217-R224 VanDerWaalsContact CE2-NH1 3.32Å; W217-R224 HydrophobicContact CH2-CB 4.29Å; W217-R224 HydrophobicContact CH2-CG 3.9Å; W217-R224 HydrophobicContact CZ2-CG 4.4Å; W217-R224 HydrophobicContact CZ3-CB 4.01Å; W217-R224 HydrophobicContact CZ3-CG 4.08Å; W217-R224 VanDerWaalsContact NE1-NH1 3.17Å; W217-R224 VanDerWaalsContact O-CD 3.31Å; W217-R224 WeakPolarHBondContact O-CD 3.4Å; W217-R224 PolarHBondContact O-NH1 3.23Å; L218-R224 HydrophobicContact CD2-CB 4.23Å; L218-R224 VanDerWaalsContact CD2-O 3.26Å; L218-R224 WeakPolarHBondContact CD2-O 3.31Å; Q221-R224 HydrophobicContact CB-CG 3.94Å; Q221-R224 WeakPolarHBondContact O-CB 3.29Å; Q221-R224 PolarHBondContact O-N 3.28Å; P222-R224 PolarHBondContact O-N 3.2Å; R224-A226 PolarHBondContact O-N 2.69Å; R224-H227 WeakPolarHBondContact O-CA 3.48Å; R224-H227 WeakPolarHBondContact O-CB 3.42Å; R224-H227 PolarHBondContact O-N 3Å; R224-A228 PolarHBondContact O-N 2.94Å
225	E	83.1	Confident	89.5	Confident	71 Å²	71	56.2 Å²	56.2	33%	0.332	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-57.7	-33.9	176.5	-66.1	178.7	-164.9	0	0	112	P222 E223 H227 A228 P258	P222-E225 WeakPolarHBondContact O-CB 3.1Å; P222-E225 WeakPolarHBondContact O-CG 3.3Å; P222-E225 PolarHBondContact O-N 3.19Å; E223-E225 VanDerWaalsContact C-N 3.25Å; E223-E225 PolarHBondContact O-N 2.99Å; E225-H227 PolarHBondContact O-N 3.46Å; E225-A228 WeakPolarHBondContact O-CB 3.47Å; E225-A228 PolarHBondContact O-N 2.81Å; E225-A228 VanDerWaalsContact O-N 3.09Å; E225-P258 HydrophobicContact CB-CG 4.27Å
226	A	86.1	Confident	89.6	Confident	88 Å²	88	56.6 Å²	56.6	73%	0.727	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-61.6	-26.1	175.2	0	0	0	0	0	112.8	E223 R224	E223-A226 PolarHBondContact O-N 2.95Å; R224-A226 PolarHBondContact O-N 2.69Å
227	H	88.7	Confident	89.6	Confident	73 Å²	73	53.8 Å²	53.8	34%	0.338	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-94.5	-0.2	179.5	-59.7	-65.5	0	0	0	113.4	M190 R224 E225 R229 Q230 V231	M190-H227 HydrophobicContact CG-CB 4.06Å; R224-H227 WeakPolarHBondContact O-CA 3.48Å; R224-H227 WeakPolarHBondContact O-CB 3.42Å; R224-H227 PolarHBondContact O-N 3Å; E225-H227 PolarHBondContact O-N 3.46Å; H227-R229 VanDerWaalsContact C-N 3.27Å; H227-R229 PolarHBondContact O-N 3.33Å; H227-R229 VanDerWaalsContact O-N 3.16Å; H227-Q230 PolarHBondContact ND1-OE1 3.38Å; H227-Q230 PolarHBondContact O-N 3.31Å; H227-V231 PolarHBondContact O-N 3.18Å; H227-V231 VanDerWaalsContact O-N 3.13Å
228	A	89.2	Confident	89.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.4	-41.1	-174.1	0	0	0	0	0	113.2	L218 R224 E225 Q230 V231 L232 L257 A261	L218-A228 HydrophobicContact CD1-CB 3.94Å; L218-A228 HydrophobicContact CD2-CB 4.09Å; R224-A228 PolarHBondContact O-N 2.94Å; E225-A228 WeakPolarHBondContact O-CB 3.47Å; E225-A228 PolarHBondContact O-N 2.81Å; E225-A228 VanDerWaalsContact O-N 3.09Å; A228-Q230 PolarHBondContact O-N 3.34Å; A228-V231 PolarHBondContact O-N 3.02Å; A228-L232 VanDerWaalsContact O-CB 3.31Å; A228-L232 WeakPolarHBondContact O-CB 3.27Å; A228-L232 VanDerWaalsContact O-CG 3.29Å; A228-L232 WeakPolarHBondContact O-CG 3.44Å; A228-L232 PolarHBondContact O-N 2.76Å; A228-L257 HydrophobicContact CB-CD1 4Å; A228-L257 HydrophobicContact CB-CD2 3.77Å; A228-L257 HydrophobicContact CB-CG 4.48Å; A228-A261 HydrophobicContact CB-CB 4.4Å
229	R	89.8	Confident	89.5	Confident	106 Å²	106	55.4 Å²	55.4	40%	0.4	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-43.5	178.3	-174.5	178.2	-179.2	81.6	4.9	112.4	H227 E233 N262 F266	H227-R229 VanDerWaalsContact C-N 3.27Å; H227-R229 PolarHBondContact O-N 3.33Å; H227-R229 VanDerWaalsContact O-N 3.16Å; R229-E233 VanDerWaalsContact O-CB 3.3Å; R229-E233 WeakPolarHBondContact O-CB 3.33Å; R229-E233 PolarHBondContact O-N 2.81Å; R229-N262 PolarHBondContact NH1-O 2.82Å; R229-F266 HydrophobicContact CG-CE2 4.25Å; R229-F266 HydrophobicContact CG-CZ 4.22Å
230	Q	91.3	Very high	89.6	Confident	100 Å²	100	52.4 Å²	52.4	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-39.8	-178.5	-69.6	175.6	-21.3	0	0	111.3	M190 H227 A228 N234	M190-Q230 VanDerWaalsContact CE-OE1 3.29Å; H227-Q230 PolarHBondContact ND1-OE1 3.38Å; H227-Q230 PolarHBondContact O-N 3.31Å; A228-Q230 PolarHBondContact O-N 3.34Å; Q230-N234 PolarHBondContact O-ND2 3.15Å
231	V	92.6	Very high	89.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.9	-51.5	177.9	178.7	0	0	0	0	110.6	M190 L193 L197 A214 W217 L218 H227 A228 E233 N234	M190-V231 HydrophobicContact CG-CG2 4.17Å; L193-V231 HydrophobicContact CD2-CG1 3.87Å; L193-V231 HydrophobicContact CD2-CG2 4.49Å; L193-V231 HydrophobicContact CG-CG1 4.47Å; L197-V231 HydrophobicContact CD1-CG1 3.66Å; A214-V231 HydrophobicContact CB-CG1 3.89Å; W217-V231 HydrophobicContact CE3-CG2 4.4Å; W217-V231 HydrophobicContact CZ3-CG2 3.89Å; L218-V231 HydrophobicContact CD2-CG2 4.34Å; H227-V231 PolarHBondContact O-N 3.18Å; H227-V231 VanDerWaalsContact O-N 3.13Å; A228-V231 PolarHBondContact O-N 3.02Å; V231-E233 VanDerWaalsContact C-N 3.27Å; V231-E233 PolarHBondContact O-N 3.16Å; V231-N234 PolarHBondContact O-N 3.22Å; V231-N234 PolarHBondContact O-ND2 3.26Å; V231-N234 VanDerWaalsContact O-ND2 3.16Å
232	L	92.1	Very high	89.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.6	-21.8	-176.1	-67.6	-178.1	0	0	0	113.7	L211 A214 L218 A228 N234 I235 F237 L257 C263 F266	L211-L232 HydrophobicContact CD1-CD2 3.57Å; A214-L232 HydrophobicContact CB-CD2 4.22Å; L218-L232 HydrophobicContact CD1-CG 4.43Å; A228-L232 VanDerWaalsContact O-CB 3.31Å; A228-L232 WeakPolarHBondContact O-CB 3.27Å; A228-L232 VanDerWaalsContact O-CG 3.29Å; A228-L232 WeakPolarHBondContact O-CG 3.44Å; A228-L232 PolarHBondContact O-N 2.76Å; L232-N234 PolarHBondContact O-N 3.02Å; L232-N234 VanDerWaalsContact O-N 3.16Å; L232-I235 HydrophobicContact CD2-CG1 4.35Å; L232-I235 WeakPolarHBondContact O-CB 3.45Å; L232-I235 PolarHBondContact O-N 2.91Å; L232-F237 HydrophobicContact CB-CE2 4.3Å; L232-F237 HydrophobicContact CB-CZ 4.37Å; L232-F237 HydrophobicContact CD2-CZ 4.39Å; L232-F237 WeakPolarHBondContact O-CE2 3.28Å; L232-L257 HydrophobicContact CD1-CD1 3.62Å; L232-C263 HydrophobicContact CD1-CB 4Å; L232-F266 HydrophobicContact CB-CD2 4.37Å; L232-F266 HydrophobicContact CB-CE2 4.25Å
233	E	92.4	Very high	90.1	Very high	94 Å²	94	51.6 Å²	51.6	44%	0.439	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.1	173.3	175.4	158.2	-140.4	0	0	112.9	R229 V231 I235 F266 R287	R229-E233 VanDerWaalsContact O-CB 3.3Å; R229-E233 WeakPolarHBondContact O-CB 3.33Å; R229-E233 PolarHBondContact O-N 2.81Å; V231-E233 VanDerWaalsContact C-N 3.27Å; V231-E233 PolarHBondContact O-N 3.16Å; E233-I235 VanDerWaalsContact C-N 3.32Å; E233-F266 HydrophobicContact CB-CZ 3.9Å; E233-R287 IonicContact OE1-NH1 2.72Å
234	N	93.8	Very high	90.3	Very high	34 Å²	34	46.2 Å²	46.2	18%	0.182	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-6	178.4	-54	-67.1	0	0	0	113.5	L197 Q230 V231 L232 R291	L197-N234 HydrophobicContact CB-CB 3.76Å; Q230-N234 PolarHBondContact O-ND2 3.15Å; V231-N234 PolarHBondContact O-N 3.22Å; V231-N234 PolarHBondContact O-ND2 3.26Å; V231-N234 VanDerWaalsContact O-ND2 3.16Å; L232-N234 PolarHBondContact O-N 3.02Å; L232-N234 VanDerWaalsContact O-N 3.16Å; N234-R291 PolarHBondContact O-NH2 3.48Å
235	I	93.1	Very high	90.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-90.2	134.2	177.5	-57.6	-59.7	0	0	0	110.1	L197 L210 L211 L232 E233 F237	L197-I235 HydrophobicContact CD1-CD1 4.24Å; L197-I235 HydrophobicContact CD2-CD1 3.98Å; L210-I235 HydrophobicContact CB-CD1 3.81Å; L211-I235 HydrophobicContact CB-CG2 4.2Å; L232-I235 HydrophobicContact CD2-CG1 4.35Å; L232-I235 WeakPolarHBondContact O-CB 3.45Å; L232-I235 PolarHBondContact O-N 2.91Å; E233-I235 VanDerWaalsContact C-N 3.32Å; I235-F237 VanDerWaalsContact C-N 3.31Å; I235-F237 HydrophobicContact CB-CD2 4.21Å; I235-F237 HydrophobicContact CB-CE2 3.92Å; I235-F237 HydrophobicContact CB-CZ 4.49Å; I235-F237 HydrophobicContact CG2-CD2 4.16Å; I235-F237 HydrophobicContact CG2-CE2 4.11Å; I235-F237 HydrophobicContact CG2-CZ 4.42Å; I235-F237 WeakPolarHBondContact O-CD2 3.45Å; I235-F237 PolarHBondContact O-N 3.5Å; I235-F237 VanDerWaalsContact O-N 3.08Å
236	H	92.8	Very high	90.8	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.102	24%	0.237	C	C	.	.			trans	-89.1	69.1	-178.5	-64.9	-168.6	0	0	0	109.8	E207 P238 L239 K286 R287 A289	E207-H236 HydrophobicContact CG-CB 3.97Å; E207-H236 IonicContact OE1-CG 2.69Å; E207-H236 PolarHBondContact OE2-N 3.38Å; H236-P238 VanDerWaalsContact C-N 3.26Å; H236-P238 VanDerWaalsContact O-N 3.13Å; H236-L239 HydrophobicContact CB-CB 4.43Å; H236-L239 HydrophobicContact CB-CD1 3.69Å; H236-L239 HydrophobicContact CB-CG 3.88Å; H236-L239 WeakPolarHBondContact O-CB 3.29Å; H236-L239 PolarHBondContact O-N 3.35Å; H236-K286 PolarHBondContact CE1-O 3.06Å; H236-K286 PolarHBondContact NE2-O 3.32Å; H236-R287 WeakPolarHBondContact CA-O 3.46Å; H236-R287 WeakPolarHBondContact CB-O 3.17Å; H236-A289 PolarHBondContact CE1-O 2.88Å; H236-A289 PolarHBondContact ND1-O 2.94Å
237	F	92.3	Very high	91	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-47.5	-39.9	178.5	-70.1	-92.9	0	0	0	114.4	L211 L232 I235 L239 I240 L245 V249 F266 I267 A270	L211-F237 HydrophobicContact CD1-CE1 4.07Å; L211-F237 HydrophobicContact CD1-CZ 3.97Å; L211-F237 HydrophobicContact CD2-CE1 4.3Å; L232-F237 HydrophobicContact CB-CE2 4.3Å; L232-F237 HydrophobicContact CB-CZ 4.37Å; L232-F237 HydrophobicContact CD2-CZ 4.39Å; L232-F237 WeakPolarHBondContact O-CE2 3.28Å; I235-F237 VanDerWaalsContact C-N 3.31Å; I235-F237 HydrophobicContact CB-CD2 4.21Å; I235-F237 HydrophobicContact CB-CE2 3.92Å; I235-F237 HydrophobicContact CB-CZ 4.49Å; I235-F237 HydrophobicContact CG2-CD2 4.16Å; I235-F237 HydrophobicContact CG2-CE2 4.11Å; I235-F237 HydrophobicContact CG2-CZ 4.42Å; I235-F237 WeakPolarHBondContact O-CD2 3.45Å; I235-F237 PolarHBondContact O-N 3.5Å; I235-F237 VanDerWaalsContact O-N 3.08Å; F237-L239 PolarHBondContact O-N 2.86Å; F237-L239 VanDerWaalsContact O-N 3.12Å; F237-I240 HydrophobicContact CD1-CD1 4.38Å; F237-I240 WeakPolarHBondContact O-CB 3.14Å; F237-I240 PolarHBondContact O-N 3.4Å; F237-L245 HydrophobicContact CB-CD2 4.41Å; F237-L245 HydrophobicContact CD1-CD2 4.14Å; F237-V249 HydrophobicContact CD1-CG1 4.11Å; F237-V249 HydrophobicContact CE1-CG1 3.82Å; F237-F266 HydrophobicContact CD2-CB 3.66Å; F237-F266 HydrophobicContact CD2-CG 4.32Å; F237-F266 HydrophobicContact CE2-CB 3.74Å; F237-F266 HydrophobicContact CE2-CD2 4.15Å; F237-F266 HydrophobicContact CE2-CG 4.14Å; F237-F266 HydrophobicContact CG-CB 4.19Å; F237-F266 HydrophobicContact CZ-CB 4.35Å; F237-I267 HydrophobicContact CD1-CG1 4.29Å; F237-I267 HydrophobicContact CE1-CG1 4.28Å; F237-A270 HydrophobicContact CB-CB 3.81Å
238	P	92.1	Very high	91	Very high	4 Å²	4	51.7 Å²	51.7	3%	0.026	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-61.4	-13.4	176.4	-25.1	35.5	0	0	0	116.3	H236 A270 Y273 H274 R287 T288	H236-P238 VanDerWaalsContact C-N 3.26Å; H236-P238 VanDerWaalsContact O-N 3.13Å; P238-A270 HydrophobicContact CG-CB 4.16Å; P238-Y273 HydrophobicContact CB-CD1 3.7Å; P238-Y273 HydrophobicContact CB-CE1 4.14Å; P238-Y273 HydrophobicContact CB-CG 4.09Å; P238-H274 PolarHBondContact O-CE1 3.32Å; P238-H274 PolarHBondContact O-NE2 3.35Å; P238-R287 WeakPolarHBondContact CD-O 3.43Å; P238-T288 HydrophobicContact CB-CG2 3.83Å; P238-T288 HydrophobicContact CG-CG2 3.87Å
239	L	90.2	Very high	91	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.199	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-89.5	-14.9	174.4	-58	-177.4	0	0	0	112.7	E207 H236 F237 T288 R373	E207-L239 HydrophobicContact CG-CB 3.9Å; E207-L239 HydrophobicContact CG-CD1 4.16Å; H236-L239 HydrophobicContact CB-CB 4.43Å; H236-L239 HydrophobicContact CB-CD1 3.69Å; H236-L239 HydrophobicContact CB-CG 3.88Å; H236-L239 WeakPolarHBondContact O-CB 3.29Å; H236-L239 PolarHBondContact O-N 3.35Å; F237-L239 PolarHBondContact O-N 2.86Å; F237-L239 VanDerWaalsContact O-N 3.12Å; L239-T288 WeakPolarHBondContact CD2-O 3.45Å; L239-R373 HydrophobicContact CD2-CB 4.4Å; L239-R373 VanDerWaalsContact CD2-CD 3.48Å; L239-R373 HydrophobicContact CD2-CG 3.82Å
240	I	90.8	Very high	90.9	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	25%	0.246	C	C	.	.	S	Bend	trans	-75.3	132.4	175.8	-58	175.2	0	0	0	108.4	E207 L211 F237 K242 D244 L245 V249 H274	E207-I240 HydrophobicContact CB-CD1 4.17Å; E207-I240 HydrophobicContact CB-CG1 3.62Å; L211-I240 HydrophobicContact CD2-CD1 4.17Å; F237-I240 HydrophobicContact CD1-CD1 4.38Å; F237-I240 WeakPolarHBondContact O-CB 3.14Å; F237-I240 PolarHBondContact O-N 3.4Å; I240-K242 PolarHBondContact O-N 2.98Å; I240-D244 HydrophobicContact CG2-CB 4.04Å; I240-L245 HydrophobicContact CB-CD1 4.44Å; I240-L245 HydrophobicContact CB-CD2 3.77Å; I240-L245 HydrophobicContact CB-CG 3.82Å; I240-L245 HydrophobicContact CD1-CD2 4.16Å; I240-L245 HydrophobicContact CG1-CD2 4.5Å; I240-L245 HydrophobicContact CG2-CD2 3.96Å; I240-L245 HydrophobicContact CG2-CG 3.83Å; I240-L245 VanDerWaalsContact O-CD1 3.29Å; I240-L245 WeakPolarHBondContact O-CD1 3.33Å; I240-V249 HydrophobicContact CD1-CG2 4.2Å; I240-V249 HydrophobicContact CG2-CG2 4.22Å; I240-H274 PolarHBondContact O-NE2 3.08Å
241	P	89.4	Confident	90.8	Very high	78 Å²	78	49.6 Å²	49.6	51%	0.506	25%	0.245	S	C	.	.			trans	-53.1	136.7	178	-27.3	35	0	0	0	112.8	N243 D244 L245	P241-N243 PolarHBondContact O-N 3.23Å; P241-N243 VanDerWaalsContact O-N 3.09Å; P241-D244 PolarHBondContact O-N 3.29Å; P241-L245 PolarHBondContact O-N 3.46Å
242	K	89.9	Confident	90.5	Very high	75 Å²	75	51.1 Å²	51.1	33%	0.326	26%	0.257	S	S	.	.	H	α-helix	trans	-50.3	-40	-177.6	-171.2	-172.1	-174.8	178.7	0	113.9	I240 L245 L246 H274 N275	I240-K242 PolarHBondContact O-N 2.98Å; K242-L245 PolarHBondContact O-N 2.87Å; K242-L246 HydrophobicContact CG-CD1 4.3Å; K242-L246 WeakPolarHBondContact O-CG 3.02Å; K242-L246 PolarHBondContact O-N 2.81Å; K242-L246 VanDerWaalsContact O-N 3.14Å; K242-H274 HydrophobicContact CB-CB 4.06Å; K242-H274 HydrophobicContact CD-CB 3.97Å; K242-H274 HydrophobicContact CG-CB 4.02Å; K242-N275 VanDerWaalsContact CE-OD1 3.27Å; K242-N275 WeakPolarHBondContact CE-OD1 3.37Å; K242-N275 PolarHBondContact NZ-OD1 3.22Å
243	N	90.1	Very high	90.2	Very high	115 Å²	115	51.2 Å²	51.2	62%	0.615	26%	0.258	S	S	*	.	H	α-helix	trans	-64.1	-43.2	179	-72	-10.1	0	0	0	111.2	P241 L246 H247	P241-N243 PolarHBondContact O-N 3.23Å; P241-N243 VanDerWaalsContact O-N 3.09Å; N243-L246 PolarHBondContact O-N 3.24Å; N243-H247 WeakPolarHBondContact O-CB 3.47Å; N243-H247 PolarHBondContact O-CD2 3.45Å; N243-H247 PolarHBondContact O-N 2.64Å
244	D	89.8	Confident	89.8	Confident	50 Å²	50	49.4 Å²	49.4	27%	0.267	26%	0.255	S	S	.	.	H	α-helix	trans	-71.4	-36	178.3	-65.8	-35.4	0	0	0	111.6	I240 P241 L246 R248 V249	I240-D244 HydrophobicContact CG2-CB 4.04Å; P241-D244 PolarHBondContact O-N 3.29Å; D244-L246 VanDerWaalsContact C-N 3.33Å; D244-L246 PolarHBondContact O-N 2.65Å; D244-R248 WeakPolarHBondContact O-CA 3.47Å; D244-R248 WeakPolarHBondContact O-CB 3.37Å; D244-R248 PolarHBondContact O-N 3.16Å; D244-R248 IonicContact OD1-NE 3.23Å; D244-V249 PolarHBondContact O-N 3.09Å
245	L	90	Very high	89.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	I	π-helix	trans	-55.6	-47.9	173.2	-79.1	173.4	0	0	0	112	F237 I240 P241 K242 V249 K250 A270 H274	F237-L245 HydrophobicContact CB-CD2 4.41Å; F237-L245 HydrophobicContact CD1-CD2 4.14Å; I240-L245 HydrophobicContact CB-CD1 4.44Å; I240-L245 HydrophobicContact CB-CD2 3.77Å; I240-L245 HydrophobicContact CB-CG 3.82Å; I240-L245 HydrophobicContact CD1-CD2 4.16Å; I240-L245 HydrophobicContact CG1-CD2 4.5Å; I240-L245 HydrophobicContact CG2-CD2 3.96Å; I240-L245 HydrophobicContact CG2-CG 3.83Å; I240-L245 VanDerWaalsContact O-CD1 3.29Å; I240-L245 WeakPolarHBondContact O-CD1 3.33Å; P241-L245 PolarHBondContact O-N 3.46Å; K242-L245 PolarHBondContact O-N 2.87Å; L245-V249 HydrophobicContact CD2-CB 4.29Å; L245-V249 HydrophobicContact CD2-CG1 4.24Å; L245-V249 HydrophobicContact CD2-CG2 4.33Å; L245-K250 WeakPolarHBondContact O-CB 3.1Å; L245-K250 PolarHBondContact O-N 2.98Å; L245-A270 HydrophobicContact CD1-CB 3.74Å; L245-H274 WeakPolarHBondContact CD1-NE2 3.46Å
246	L	90.1	Very high	88.9	Confident	70 Å²	70	55.7 Å²	55.7	37%	0.366	30%	0.295	S	S	.	.	I	π-helix	trans	-78.7	-39.5	-175.7	-66.9	176.1	0	0	0	113.2	K242 N243 D244 V271	K242-L246 HydrophobicContact CG-CD1 4.3Å; K242-L246 WeakPolarHBondContact O-CG 3.02Å; K242-L246 PolarHBondContact O-N 2.81Å; K242-L246 VanDerWaalsContact O-N 3.14Å; N243-L246 PolarHBondContact O-N 3.24Å; D244-L246 VanDerWaalsContact C-N 3.33Å; D244-L246 PolarHBondContact O-N 2.65Å; L246-V271 HydrophobicContact CD2-CG2 3.78Å
247	H	89.9	Confident	88.4	Confident	146 Å²	146	55.3 Å²	55.3	68%	0.676	29%	0.294	S	S	*	.	I	π-helix	trans	-95.4	-21.4	-172	-67.5	-67	0	0	0	114.6	N243	N243-H247 WeakPolarHBondContact O-CB 3.47Å; N243-H247 PolarHBondContact O-CD2 3.45Å; N243-H247 PolarHBondContact O-N 2.64Å
248	R	88.4	Confident	87.8	Confident	150 Å²	150	57.4 Å²	57.4	57%	0.566	31%	0.307	S	S	*	.	I	π-helix	trans	-119.3	-54.5	-177.2	-59.7	-178.7	176.7	-165.4	1.4	112.3	D244 P251 A252	D244-R248 WeakPolarHBondContact O-CA 3.47Å; D244-R248 WeakPolarHBondContact O-CB 3.37Å; D244-R248 PolarHBondContact O-N 3.16Å; D244-R248 IonicContact OD1-NE 3.23Å; R248-P251 WeakPolarHBondContact O-CD 3.25Å; R248-A252 VanDerWaalsContact O-CB 3.3Å; R248-A252 WeakPolarHBondContact O-CB 3.15Å; R248-A252 PolarHBondContact O-N 3.31Å; R248-A252 VanDerWaalsContact O-N 3.16Å
249	V	89.6	Confident	86.9	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.012	34%	0.342	C	S	.	.	I	π-helix	trans	-69.1	-50.3	-173.2	173.3	0	0	0	0	111.5	L211 F237 I240 D244 L245 A252 V253 I267	L211-V249 HydrophobicContact CD2-CB 4.14Å; L211-V249 HydrophobicContact CD2-CG1 3.56Å; L211-V249 HydrophobicContact CD2-CG2 3.66Å; F237-V249 HydrophobicContact CD1-CG1 4.11Å; F237-V249 HydrophobicContact CE1-CG1 3.82Å; I240-V249 HydrophobicContact CD1-CG2 4.2Å; I240-V249 HydrophobicContact CG2-CG2 4.22Å; D244-V249 PolarHBondContact O-N 3.09Å; L245-V249 HydrophobicContact CD2-CB 4.29Å; L245-V249 HydrophobicContact CD2-CG1 4.24Å; L245-V249 HydrophobicContact CD2-CG2 4.33Å; V249-A252 PolarHBondContact O-N 3.39Å; V249-V253 HydrophobicContact CG1-CG2 4.11Å; V249-V253 WeakPolarHBondContact O-CB 3.11Å; V249-V253 WeakPolarHBondContact O-CG2 3.42Å; V249-V253 PolarHBondContact O-N 3.45Å; V249-I267 HydrophobicContact CG1-CD1 4.32Å; V249-I267 HydrophobicContact CG1-CG1 4.4Å
250	K	88.6	Confident	85.9	Confident	93 Å²	93	71.5 Å²	71.5	40%	0.404	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-50.6	-179.3	-179.2	176.7	-177	172	0	112.6	L245 A252 V253 C254 I267	L245-K250 WeakPolarHBondContact O-CB 3.1Å; L245-K250 PolarHBondContact O-N 2.98Å; K250-A252 PolarHBondContact O-N 3.23Å; K250-V253 PolarHBondContact O-N 2.91Å; K250-C254 WeakPolarHBondContact O-CB 3.41Å; K250-C254 PolarHBondContact O-N 3.22Å; K250-C254 PolarHBondContact O-SG 2.9Å; K250-I267 HydrophobicContact CB-CD1 4.14Å; K250-I267 HydrophobicContact CB-CG2 4.3Å; K250-I267 HydrophobicContact CG-CD1 4.39Å
251	P	88.5	Confident	84.9	Confident	67 Å²	67	72.1 Å²	72.1	44%	0.435	38%	0.375	S	S	.	.	H	α-helix	trans	-58.9	-43.8	175.5	-26	35.9	0	0	0	113.2	R248 C254 S255	R248-P251 WeakPolarHBondContact O-CD 3.25Å; P251-C254 PolarHBondContact O-N 3.32Å; P251-S255 VanDerWaalsContact O-CB 3.32Å; P251-S255 WeakPolarHBondContact O-CB 3.27Å; P251-S255 PolarHBondContact O-N 2.98Å; P251-S255 PolarHBondContact O-OG 3.49Å; P251-S255 VanDerWaalsContact O-OG 3.12Å
252	A	86.4	Confident	84.5	Confident	31 Å²	31	73 Å²	73	26%	0.256	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-50.1	-179.4	0	0	0	0	0	111.8	L215 R248 V249 K250 C254 S255 L256	L215-A252 HydrophobicContact CD1-CB 4.44Å; R248-A252 VanDerWaalsContact O-CB 3.3Å; R248-A252 WeakPolarHBondContact O-CB 3.15Å; R248-A252 PolarHBondContact O-N 3.31Å; R248-A252 VanDerWaalsContact O-N 3.16Å; V249-A252 PolarHBondContact O-N 3.39Å; K250-A252 PolarHBondContact O-N 3.23Å; A252-C254 PolarHBondContact O-N 3.05Å; A252-S255 PolarHBondContact O-N 3.3Å; A252-S255 PolarHBondContact O-OG 2.83Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 VanDerWaalsContact O-CG 3.29Å; A252-L256 WeakPolarHBondContact O-CG 3.48Å; A252-L256 PolarHBondContact O-N 2.68Å
253	V	85.5	Confident	84.1	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.018	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-46.4	178.6	170.3	0	0	0	0	111.1	L215 V249 K250 S255 L256 L257 C263 I267	L215-V253 HydrophobicContact CD2-CG2 4.46Å; V249-V253 HydrophobicContact CG1-CG2 4.11Å; V249-V253 WeakPolarHBondContact O-CB 3.11Å; V249-V253 WeakPolarHBondContact O-CG2 3.42Å; V249-V253 PolarHBondContact O-N 3.45Å; K250-V253 PolarHBondContact O-N 2.91Å; V253-S255 VanDerWaalsContact C-N 3.29Å; V253-S255 PolarHBondContact O-N 2.99Å; V253-L256 PolarHBondContact O-N 2.96Å; V253-L257 HydrophobicContact CG1-CD1 4.31Å; V253-L257 WeakPolarHBondContact O-CB 3.39Å; V253-L257 PolarHBondContact O-N 3.2Å; V253-C263 HydrophobicContact CG1-CB 3.97Å; V253-I267 HydrophobicContact CB-CD1 4.13Å; V253-I267 HydrophobicContact CG1-CD1 4.17Å; V253-I267 HydrophobicContact CG2-CD1 4.31Å
254	C	84.4	Confident	83.9	Confident	56 Å²	56	67.6 Å²	67.6	38%	0.378	35%	0.348	S	S	.	.	H	α-helix	trans	-67.6	-26.7	179.2	-65.2	0	0	0	0	113.4	K250 P251 A252 E264	K250-C254 WeakPolarHBondContact O-CB 3.41Å; K250-C254 PolarHBondContact O-N 3.22Å; K250-C254 PolarHBondContact O-SG 2.9Å; P251-C254 PolarHBondContact O-N 3.32Å; A252-C254 PolarHBondContact O-N 3.05Å; C254-E264 PolarHBondContact SG-OE1 3.32Å
255	S	84.9	Confident	83.8	Confident	91 Å²	91	66.4 Å²	66.4	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-83.4	-32.4	178.5	66.4	0	0	0	0	113.7	P251 A252 V253	P251-S255 VanDerWaalsContact O-CB 3.32Å; P251-S255 WeakPolarHBondContact O-CB 3.27Å; P251-S255 PolarHBondContact O-N 2.98Å; P251-S255 PolarHBondContact O-OG 3.49Å; P251-S255 VanDerWaalsContact O-OG 3.12Å; A252-S255 PolarHBondContact O-N 3.3Å; A252-S255 PolarHBondContact O-OG 2.83Å; V253-S255 VanDerWaalsContact C-N 3.29Å; V253-S255 PolarHBondContact O-N 2.99Å
256	L	83	Confident	83.9	Confident	74 Å²	74	66.7 Å²	66.7	39%	0.387	35%	0.349	S	S	.	.	H	α-helix	trans	-97.4	-21.5	-171.4	-65.8	175.1	0	0	0	113.2	L215 T219 A252 V253	L215-L256 HydrophobicContact CB-CD1 4.28Å; L215-L256 HydrophobicContact CD1-CD1 4.35Å; T219-L256 HydrophobicContact CG2-CB 4.26Å; T219-L256 HydrophobicContact CG2-CD1 4.28Å; T219-L256 HydrophobicContact CG2-CD2 3.93Å; T219-L256 HydrophobicContact CG2-CG 4.38Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 VanDerWaalsContact O-CG 3.29Å; A252-L256 WeakPolarHBondContact O-CG 3.48Å; A252-L256 PolarHBondContact O-N 2.68Å; V253-L256 PolarHBondContact O-N 2.96Å
257	L	83.7	Confident	84	Confident	15 Å²	15	63.7 Å²	63.7	8%	0.079	33%	0.333	C	S	.	.	S	Bend	trans	-122.5	144	-173.4	-62.6	175	0	0	0	112.2	L215 L218 A228 L232 V253	L215-L257 HydrophobicContact CD2-CD1 4Å; L215-L257 HydrophobicContact CD2-CG 4.47Å; L218-L257 HydrophobicContact CB-CD2 4.47Å; L218-L257 HydrophobicContact CD1-CD1 4.43Å; L218-L257 HydrophobicContact CD1-CD2 4.19Å; A228-L257 HydrophobicContact CB-CD1 4Å; A228-L257 HydrophobicContact CB-CD2 3.77Å; A228-L257 HydrophobicContact CB-CG 4.48Å; L232-L257 HydrophobicContact CD1-CD1 3.62Å; V253-L257 HydrophobicContact CG1-CD1 4.31Å; V253-L257 WeakPolarHBondContact O-CB 3.39Å; V253-L257 PolarHBondContact O-N 3.2Å
258	P	77.8	Confident	84	Confident	44 Å²	44	62.8 Å²	62.8	29%	0.286	33%	0.33	S	S	.	.			trans	-65.6	149.2	176.2	25.9	-32.8	0	0	0	111.6	E225 E260 A261	E225-P258 HydrophobicContact CB-CG 4.27Å; P258-E260 WeakPolarHBondContact CB-OE2 3.45Å; P258-E260 PolarHBondContact O-N 2.65Å; P258-A261 WeakPolarHBondContact O-CB 3.49Å; P258-A261 PolarHBondContact O-N 2.73Å
259	K	73.1	Confident	84.2	Confident	173 Å²	173	57.1 Å²	57.1	75%	0.752	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-63.7	-28.5	-178	-71	-174.3	176.6	-177.8	0	112.2	A261 N262	K259-A261 PolarHBondContact O-N 2.82Å; K259-N262 PolarHBondContact O-N 2.95Å
260	E	69.6	Low	84.4	Confident	165 Å²	165	57 Å²	57	77%	0.771	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-64.4	-22.5	-179.5	-63.3	71.3	-155.8	0	0	112.5	P258 N262	P258-E260 WeakPolarHBondContact CB-OE2 3.45Å; P258-E260 PolarHBondContact O-N 2.65Å; E260-N262 PolarHBondContact O-N 2.78Å
261	A	70.7	Confident	84.6	Confident	16 Å²	16	54 Å²	54	13%	0.132	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-69.4	-16.1	177.2	0	0	0	0	0	113.4	A228 P258 K259 C263	A228-A261 HydrophobicContact CB-CB 4.4Å; P258-A261 WeakPolarHBondContact O-CB 3.49Å; P258-A261 PolarHBondContact O-N 2.73Å; K259-A261 PolarHBondContact O-N 2.82Å; A261-C263 PolarHBondContact O-N 2.79Å
262	N	79.9	Confident	84.9	Confident	97 Å²	97	57.7 Å²	57.7	52%	0.519	30%	0.303	S	S	.	.			trans	52.2	36.8	179	-164.1	19.7	0	0	0	113.8	R229 K259 E260 E264	R229-N262 PolarHBondContact NH1-O 2.82Å; K259-N262 PolarHBondContact O-N 2.95Å; E260-N262 PolarHBondContact O-N 2.78Å; N262-E264 VanDerWaalsContact C-N 3.29Å
263	C	83.1	Confident	85.3	Confident	7 Å²	7	56.6 Å²	56.6	5%	0.047	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-19.8	177.6	-61.1	0	0	0	0	112.4	L232 V253 A261 G265 F266	L232-C263 HydrophobicContact CD1-CB 4Å; V253-C263 HydrophobicContact CG1-CB 3.97Å; A261-C263 PolarHBondContact O-N 2.79Å; C263-G265 PolarHBondContact O-N 3.27Å; C263-F266 PolarHBondContact O-N 3.26Å; C263-F266 VanDerWaalsContact O-N 3.15Å
264	E	84.6	Confident	85.6	Confident	70 Å²	70	58 Å²	58	33%	0.327	30%	0.299	S	S	.	.	H	α-helix	trans	-59.5	-30.1	175.8	-65.4	-170.5	-174.7	0	0	112.1	C254 N262 F266 I267 E268	C254-E264 PolarHBondContact SG-OE1 3.32Å; N262-E264 VanDerWaalsContact C-N 3.29Å; E264-F266 PolarHBondContact O-N 3.44Å; E264-I267 WeakPolarHBondContact O-CB 3.42Å; E264-I267 PolarHBondContact O-N 2.99Å; E264-E268 WeakPolarHBondContact O-CG 3.43Å; E264-E268 PolarHBondContact O-N 3.04Å
265	G	89	Confident	86	Confident	25 Å²	25	59.6 Å²	59.6	26%	0.258	30%	0.304	S	S	.	.	H	α-helix	trans	-58.2	-32.2	176.3	0	0	0	0	0	113.9	C263 E269	C263-G265 PolarHBondContact O-N 3.27Å; G265-E269 WeakPolarHBondContact O-CB 3.45Å; G265-E269 PolarHBondContact O-N 2.77Å
266	F	91.2	Very high	86.4	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-69.9	-36	175.5	-61.5	-51.8	0	0	0	112.1	R229 L232 E233 F237 C263 E264 A270	R229-F266 HydrophobicContact CG-CE2 4.25Å; R229-F266 HydrophobicContact CG-CZ 4.22Å; L232-F266 HydrophobicContact CB-CD2 4.37Å; L232-F266 HydrophobicContact CB-CE2 4.25Å; E233-F266 HydrophobicContact CB-CZ 3.9Å; F237-F266 HydrophobicContact CD2-CB 3.66Å; F237-F266 HydrophobicContact CD2-CG 4.32Å; F237-F266 HydrophobicContact CE2-CB 3.74Å; F237-F266 HydrophobicContact CE2-CD2 4.15Å; F237-F266 HydrophobicContact CE2-CG 4.14Å; F237-F266 HydrophobicContact CG-CB 4.19Å; F237-F266 HydrophobicContact CZ-CB 4.35Å; C263-F266 PolarHBondContact O-N 3.26Å; C263-F266 VanDerWaalsContact O-N 3.15Å; E264-F266 PolarHBondContact O-N 3.44Å; F266-A270 WeakPolarHBondContact O-CB 3.28Å; F266-A270 PolarHBondContact O-N 2.97Å
267	I	91.2	Very high	86.9	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-70.6	-43.2	176.6	-61.1	166.9	0	0	0	109.6	F237 V249 K250 V253 E264 E269 A270 V271	F237-I267 HydrophobicContact CD1-CG1 4.29Å; F237-I267 HydrophobicContact CE1-CG1 4.28Å; V249-I267 HydrophobicContact CG1-CD1 4.32Å; V249-I267 HydrophobicContact CG1-CG1 4.4Å; K250-I267 HydrophobicContact CB-CD1 4.14Å; K250-I267 HydrophobicContact CB-CG2 4.3Å; K250-I267 HydrophobicContact CG-CD1 4.39Å; V253-I267 HydrophobicContact CB-CD1 4.13Å; V253-I267 HydrophobicContact CG1-CD1 4.17Å; V253-I267 HydrophobicContact CG2-CD1 4.31Å; E264-I267 WeakPolarHBondContact O-CB 3.42Å; E264-I267 PolarHBondContact O-N 2.99Å; I267-E269 VanDerWaalsContact C-N 3.33Å; I267-E269 PolarHBondContact O-N 3.08Å; I267-A270 PolarHBondContact O-N 2.86Å; I267-V271 HydrophobicContact CG2-CG2 4.25Å; I267-V271 WeakPolarHBondContact O-CB 3.38Å; I267-V271 VanDerWaalsContact O-CG2 3.26Å; I267-V271 WeakPolarHBondContact O-CG2 3.38Å; I267-V271 PolarHBondContact O-N 3.17Å
268	E	90.9	Very high	87.4	Confident	128 Å²	128	59.4 Å²	59.4	60%	0.598	30%	0.298	S	S	*	.	H	α-helix	trans	-61	-42.1	175.9	-69.8	-178.5	171.5	0	0	112	E264 V271 R272	E264-E268 WeakPolarHBondContact O-CG 3.43Å; E264-E268 PolarHBondContact O-N 3.04Å; E268-V271 PolarHBondContact O-N 3Å; E268-R272 WeakPolarHBondContact O-CB 3.36Å; E268-R272 PolarHBondContact O-N 3.13Å
269	E	93.1	Very high	88.2	Confident	31 Å²	31	57.9 Å²	57.9	15%	0.145	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-50.2	172.6	-179.7	-172.6	164.2	0	0	111.5	G265 I267 R272 Y273 R287	G265-E269 WeakPolarHBondContact O-CB 3.45Å; G265-E269 PolarHBondContact O-N 2.77Å; I267-E269 VanDerWaalsContact C-N 3.33Å; I267-E269 PolarHBondContact O-N 3.08Å; E269-R272 WeakPolarHBondContact O-CB 3.35Å; E269-R272 PolarHBondContact O-N 3.01Å; E269-Y273 PolarHBondContact O-N 3.3Å; E269-R287 IonicContact OE1-NE 3.46Å; E269-R287 IonicContact OE1-NH2 2.75Å; E269-R287 IonicContact OE2-CZ 2.82Å; E269-R287 IonicContact OE2-NE 2.95Å; E269-R287 PolarHBondContact OE2-NE 3.08Å; E269-R287 IonicContact OE2-NH2 3.55Å; E269-R287 PolarHBondContact OE2-NH2 2.86Å
270	A	93.2	Very high	89.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-41.7	179.6	0	0	0	0	0	112.2	F237 P238 L245 F266 I267 R272 Y273 H274	F237-A270 HydrophobicContact CB-CB 3.81Å; P238-A270 HydrophobicContact CG-CB 4.16Å; L245-A270 HydrophobicContact CD1-CB 3.74Å; F266-A270 WeakPolarHBondContact O-CB 3.28Å; F266-A270 PolarHBondContact O-N 2.97Å; I267-A270 PolarHBondContact O-N 2.86Å; A270-R272 VanDerWaalsContact C-N 3.34Å; A270-R272 PolarHBondContact O-N 2.83Å; A270-Y273 WeakPolarHBondContact O-CB 3.45Å; A270-Y273 PolarHBondContact O-N 3.19Å; A270-Y273 VanDerWaalsContact O-N 3.14Å; A270-H274 PolarHBondContact O-CD2 3.35Å; A270-H274 PolarHBondContact O-N 2.97Å
271	V	93.6	Very high	90.5	Very high	29 Å²	29	42.2 Å²	42.2	18%	0.176	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-42.8	175.7	170	0	0	0	0	110.9	L246 I267 E268 Y273 H274 N275	L246-V271 HydrophobicContact CD2-CG2 3.78Å; I267-V271 HydrophobicContact CG2-CG2 4.25Å; I267-V271 WeakPolarHBondContact O-CB 3.38Å; I267-V271 VanDerWaalsContact O-CG2 3.26Å; I267-V271 WeakPolarHBondContact O-CG2 3.38Å; I267-V271 PolarHBondContact O-N 3.17Å; E268-V271 PolarHBondContact O-N 3Å; V271-Y273 VanDerWaalsContact C-N 3.3Å; V271-Y273 PolarHBondContact O-N 3.2Å; V271-H274 PolarHBondContact O-N 3.24Å; V271-N275 WeakPolarHBondContact O-CB 3.39Å; V271-N275 PolarHBondContact O-N 2.83Å; V271-N275 PolarHBondContact O-ND2 3.31Å
272	R	93.9	Very high	91.6	Very high	145 Å²	145	42.9 Å²	42.9	55%	0.547	22%	0.222	S	C	.	.	H	α-helix	trans	-61.3	-39.2	173.7	178.4	-178.9	56.1	174.9	-4.9	111.5	E268 E269 A270 N275 N276 M283	E268-R272 WeakPolarHBondContact O-CB 3.36Å; E268-R272 PolarHBondContact O-N 3.13Å; E269-R272 WeakPolarHBondContact O-CB 3.35Å; E269-R272 PolarHBondContact O-N 3.01Å; A270-R272 VanDerWaalsContact C-N 3.34Å; A270-R272 PolarHBondContact O-N 2.83Å; R272-N275 PolarHBondContact O-N 3.34Å; R272-N276 PolarHBondContact O-N 3.26Å; R272-N276 PolarHBondContact O-ND2 3.48Å; R272-M283 HydrophobicContact CG-CE 4.25Å
273	Y	94	Very high	92.3	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-42.7	175.3	-175.8	-100.8	0	0	0	112.5	P238 E269 A270 V271 Q280 M283 Q284 T288 F346 R373	P238-Y273 HydrophobicContact CB-CD1 3.7Å; P238-Y273 HydrophobicContact CB-CE1 4.14Å; P238-Y273 HydrophobicContact CB-CG 4.09Å; E269-Y273 PolarHBondContact O-N 3.3Å; A270-Y273 WeakPolarHBondContact O-CB 3.45Å; A270-Y273 PolarHBondContact O-N 3.19Å; A270-Y273 VanDerWaalsContact O-N 3.14Å; V271-Y273 VanDerWaalsContact C-N 3.3Å; V271-Y273 PolarHBondContact O-N 3.2Å; Y273-Q280 HydrophobicContact CD1-CG 4.23Å; Y273-Q280 HydrophobicContact CD2-CG 4.09Å; Y273-Q280 HydrophobicContact CE1-CB 4.46Å; Y273-Q280 HydrophobicContact CE1-CG 3.89Å; Y273-Q280 HydrophobicContact CE2-CB 3.79Å; Y273-Q280 HydrophobicContact CE2-CG 3.73Å; Y273-Q280 HydrophobicContact CG-CG 4.32Å; Y273-Q280 WeakPolarHBondContact O-CG 3.47Å; Y273-Q280 PolarHBondContact O-NE2 3.22Å; Y273-Q280 VanDerWaalsContact O-NE2 3.17Å; Y273-M283 HydrophobicContact CD2-CB 3.96Å; Y273-M283 HydrophobicContact CD2-CE 4.33Å; Y273-M283 HydrophobicContact CE2-CB 4.04Å; Y273-Q284 PolarHBondContact OH-NE2 2.78Å; Y273-T288 HydrophobicContact CD2-CG2 3.85Å; Y273-T288 HydrophobicContact CE1-CG2 4.49Å; Y273-T288 HydrophobicContact CE2-CG2 3.63Å; Y273-T288 HydrophobicContact CG-CG2 4.37Å; Y273-F346 WeakPolarHBondContact OH-CZ 3.29Å; Y273-R373 PolarHBondContact OH-NH1 3.15Å
274	H	92.3	Very high	92.7	Very high	32 Å²	32	43.4 Å²	43.4	15%	0.148	22%	0.221	C	C	.	.	H	α-helix	trans	-74.4	-25.5	176.9	-69.3	-64.5	0	0	0	114.3	P238 I240 K242 L245 A270 V271 N276 L277	P238-H274 PolarHBondContact O-CE1 3.32Å; P238-H274 PolarHBondContact O-NE2 3.35Å; I240-H274 PolarHBondContact O-NE2 3.08Å; K242-H274 HydrophobicContact CB-CB 4.06Å; K242-H274 HydrophobicContact CD-CB 3.97Å; K242-H274 HydrophobicContact CG-CB 4.02Å; L245-H274 WeakPolarHBondContact CD1-NE2 3.46Å; A270-H274 PolarHBondContact O-CD2 3.35Å; A270-H274 PolarHBondContact O-N 2.97Å; V271-H274 PolarHBondContact O-N 3.24Å; H274-N276 VanDerWaalsContact C-N 3.3Å; H274-L277 WeakPolarHBondContact O-CD2 3.36Å
275	N	93.1	Very high	93	Very high	90 Å²	90	42.9 Å²	42.9	48%	0.481	22%	0.223	S	C	.	.	H	α-helix	trans	-73.3	-23.7	176.7	-75.2	-20.2	0	0	0	112.7	K242 V271 R272	K242-N275 VanDerWaalsContact CE-OD1 3.27Å; K242-N275 WeakPolarHBondContact CE-OD1 3.37Å; K242-N275 PolarHBondContact NZ-OD1 3.22Å; V271-N275 WeakPolarHBondContact O-CB 3.39Å; V271-N275 PolarHBondContact O-N 2.83Å; V271-N275 PolarHBondContact O-ND2 3.31Å; R272-N275 PolarHBondContact O-N 3.34Å
276	N	93.8	Very high	93	Very high	74 Å²	74	50.8 Å²	50.8	40%	0.396	25%	0.25	S	C	.	.			trans	-111.5	59.7	-176.1	-64.5	-69	0	0	0	111.7	R272 H274 A278 A279 Q280 M283	R272-N276 PolarHBondContact O-N 3.26Å; R272-N276 PolarHBondContact O-ND2 3.48Å; H274-N276 VanDerWaalsContact C-N 3.3Å; N276-A278 VanDerWaalsContact C-N 3.32Å; N276-A278 PolarHBondContact O-N 3.24Å; N276-A279 HydrophobicContact CB-CB 4.18Å; N276-A279 PolarHBondContact O-N 3.37Å; N276-Q280 WeakPolarHBondContact O-CG 3.47Å; N276-Q280 PolarHBondContact O-N 2.99Å; N276-Q280 VanDerWaalsContact O-N 3.1Å; N276-M283 HydrophobicContact CB-SD 4Å
277	L	92.6	Very high	92.9	Very high	83 Å²	83	52.6 Å²	52.6	44%	0.435	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-43.5	-173.2	-65.7	178	0	0	0	113.7	H274 A279 R369 I378	H274-L277 WeakPolarHBondContact O-CD2 3.36Å; L277-A279 VanDerWaalsContact C-N 3.33Å; L277-A279 PolarHBondContact O-N 3.07Å; L277-R369 PolarHBondContact O-NH1 2.88Å; L277-R369 VanDerWaalsContact O-NH1 3.14Å; L277-R369 PolarHBondContact O-NH2 3.07Å; L277-R369 VanDerWaalsContact O-NH2 3.13Å; L277-I378 HydrophobicContact CB-CD1 4.03Å
278	A	93.8	Very high	92.9	Very high	19 Å²	19	52.4 Å²	52.4	16%	0.157	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-35.2	179.3	0	0	0	0	0	112.5	N276 P281 P419 D422	N276-A278 VanDerWaalsContact C-N 3.32Å; N276-A278 PolarHBondContact O-N 3.24Å; A278-P281 WeakPolarHBondContact O-CD 3.3Å; A278-P419 CarbonylContact C-O 3.58Å; A278-P419 VanDerWaalsContact C-O 3.31Å; A278-P419 VanDerWaalsContact O-CB 3.3Å; A278-P419 WeakPolarHBondContact O-CB 3.45Å; A278-D422 HydrophobicContact CB-CB 3.8Å
279	A	95.6	Very high	92.7	Very high	13 Å²	13	48.3 Å²	48.3	11%	0.107	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-7.5	-175.7	0	0	0	0	0	114.3	N276 L277 P281 V282 M283 P419	N276-A279 HydrophobicContact CB-CB 4.18Å; N276-A279 PolarHBondContact O-N 3.37Å; L277-A279 VanDerWaalsContact C-N 3.33Å; L277-A279 PolarHBondContact O-N 3.07Å; A279-P281 VanDerWaalsContact C-N 3.3Å; A279-P281 VanDerWaalsContact O-N 3.16Å; A279-V282 HydrophobicContact CB-CG2 4.42Å; A279-V282 WeakPolarHBondContact O-CG2 3.32Å; A279-V282 PolarHBondContact O-N 3.47Å; A279-M283 HydrophobicContact CB-SD 4.1Å; A279-M283 WeakPolarHBondContact O-CG 3.48Å; A279-M283 PolarHBondContact O-N 2.77Å; A279-P419 WeakPolarHBondContact CA-O 3.46Å; A279-P419 WeakPolarHBondContact CB-O 3.41Å; A279-P419 PolarHBondContact N-O 3.15Å
280	Q	95.1	Very high	92.4	Very high	3 Å²	3	48 Å²	48	1%	0.014	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-47.7	-41.5	176.3	-72.4	178	-26.2	0	0	114.8	Y273 N276 V282 M283 Q284 F346 R369	Y273-Q280 HydrophobicContact CD1-CG 4.23Å; Y273-Q280 HydrophobicContact CD2-CG 4.09Å; Y273-Q280 HydrophobicContact CE1-CB 4.46Å; Y273-Q280 HydrophobicContact CE1-CG 3.89Å; Y273-Q280 HydrophobicContact CE2-CB 3.79Å; Y273-Q280 HydrophobicContact CE2-CG 3.73Å; Y273-Q280 HydrophobicContact CG-CG 4.32Å; Y273-Q280 WeakPolarHBondContact O-CG 3.47Å; Y273-Q280 PolarHBondContact O-NE2 3.22Å; Y273-Q280 VanDerWaalsContact O-NE2 3.17Å; N276-Q280 WeakPolarHBondContact O-CG 3.47Å; N276-Q280 PolarHBondContact O-N 2.99Å; N276-Q280 VanDerWaalsContact O-N 3.1Å; Q280-V282 PolarHBondContact O-N 2.81Å; Q280-V282 VanDerWaalsContact O-N 3.07Å; Q280-M283 PolarHBondContact O-N 3.1Å; Q280-Q284 PolarHBondContact O-NE2 3.02Å; Q280-F346 HydrophobicContact CB-CE2 3.85Å; Q280-F346 HydrophobicContact CB-CZ 3.63Å; Q280-R369 VanDerWaalsContact OE1-CZ 3.31Å
281	P	95	Very high	92	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.032	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-55.5	-27.8	179.4	-22	30.7	0	0	0	114.9	A278 A279 L343 G344 F346 F348 P419	A278-P281 WeakPolarHBondContact O-CD 3.3Å; A279-P281 VanDerWaalsContact C-N 3.3Å; A279-P281 VanDerWaalsContact O-N 3.16Å; P281-L343 HydrophobicContact CB-CD2 4.13Å; P281-L343 HydrophobicContact CB-CG 3.96Å; P281-G344 VanDerWaalsContact O-CA 3.3Å; P281-G344 WeakPolarHBondContact O-CA 3.43Å; P281-F346 HydrophobicContact CB-CD2 3.85Å; P281-F346 HydrophobicContact CB-CE2 4.32Å; P281-F346 HydrophobicContact CG-CD2 3.71Å; P281-F346 HydrophobicContact CG-CE2 4.14Å; P281-F346 HydrophobicContact CG-CG 4.29Å; P281-F348 HydrophobicContact CB-CE2 4.38Å; P281-F348 HydrophobicContact CB-CZ 4.44Å; P281-F348 HydrophobicContact CG-CE2 3.99Å; P281-F348 HydrophobicContact CG-CZ 3.67Å; P281-P419 HydrophobicContact CG-CB 4.34Å
282	V	95.6	Very high	91.5	Very high	30 Å²	30	47.8 Å²	47.8	18%	0.182	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-104.7	3.4	-179.9	-61.7	0	0	0	0	112.6	A279 Q280 D397 P419 K420	A279-V282 HydrophobicContact CB-CG2 4.42Å; A279-V282 WeakPolarHBondContact O-CG2 3.32Å; A279-V282 PolarHBondContact O-N 3.47Å; Q280-V282 PolarHBondContact O-N 2.81Å; Q280-V282 VanDerWaalsContact O-N 3.07Å; V282-D397 HydrophobicContact CG1-CB 3.69Å; V282-D397 WeakPolarHBondContact CG1-O 3.27Å; V282-P419 HydrophobicContact CG1-CB 4.22Å; V282-P419 HydrophobicContact CG1-CG 4.1Å; V282-P419 HydrophobicContact CG2-CB 4.31Å; V282-K420 HydrophobicContact CG2-CD 4.41Å; V282-K420 HydrophobicContact CG2-CG 3.63Å
283	M	94.3	Very high	90.6	Very high	52 Å²	52	47.3 Å²	47.3	26%	0.256	25%	0.248	S	C	.	.			trans	-104.1	28.4	175.5	-64.2	175	66.8	0	0	111.2	R272 Y273 N276 A279 Q280	R272-M283 HydrophobicContact CG-CE 4.25Å; Y273-M283 HydrophobicContact CD2-CB 3.96Å; Y273-M283 HydrophobicContact CD2-CE 4.33Å; Y273-M283 HydrophobicContact CE2-CB 4.04Å; N276-M283 HydrophobicContact CB-SD 4Å; A279-M283 HydrophobicContact CB-SD 4.1Å; A279-M283 WeakPolarHBondContact O-CG 3.48Å; A279-M283 PolarHBondContact O-N 2.77Å; Q280-M283 PolarHBondContact O-N 3.1Å
284	Q	91.3	Very high	90.2	Very high	63 Å²	63	51 Å²	51	29%	0.294	27%	0.265	S	S	.	.			trans	-74.3	130.1	-176.8	-64.1	-52.7	-67.1	0	0	111.9	Y273 Q280 T288 G344	Y273-Q284 PolarHBondContact OH-NE2 2.78Å; Q280-Q284 PolarHBondContact O-NE2 3.02Å; Q284-T288 VanDerWaalsContact CA-OG1 3.26Å; Q284-T288 WeakPolarHBondContact CA-OG1 3.26Å; Q284-T288 PolarHBondContact OE1-OG1 3.49Å; Q284-G344 VanDerWaalsContact CD-O 3.25Å; Q284-G344 WeakPolarHBondContact CG-O 3.41Å; Q284-G344 PolarHBondContact OE1-O 2.93Å
285	T	91.3	Very high	90.1	Very high	60 Å²	60	55.2 Å²	55.2	37%	0.368	29%	0.285	S	S	.	.			trans	-130.6	173.4	170.6	74.7	0	0	0	0	108.7	R287 T288 A289	T285-R287 PolarHBondContact O-N 2.91Å; T285-R287 VanDerWaalsContact O-N 3.15Å; T285-R287 PolarHBondContact OG1-N 2.86Å; T285-T288 PolarHBondContact N-OG1 3Å; T285-T288 PolarHBondContact O-N 2.84Å; T285-T288 PolarHBondContact O-OG1 3.11Å; T285-A289 PolarHBondContact O-N 3.03Å
286	K	88.4	Confident	90.1	Very high	190 Å²	190	51.9 Å²	51.9	83%	0.826	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-35.8	172.2	-68.5	-174.4	177.2	-175	0	112.1	H236	H236-K286 PolarHBondContact CE1-O 3.06Å; H236-K286 PolarHBondContact NE2-O 3.32Å
287	R	89.9	Confident	90.2	Very high	45 Å²	45	48.3 Å²	48.3	17%	0.17	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.7	-179	-68.6	-170.5	-71.8	-103.8	3.4	114.8	E233 H236 P238 E269 T285	E233-R287 IonicContact OE1-NH1 2.72Å; H236-R287 WeakPolarHBondContact CA-O 3.46Å; H236-R287 WeakPolarHBondContact CB-O 3.17Å; P238-R287 WeakPolarHBondContact CD-O 3.43Å; E269-R287 IonicContact OE1-NE 3.46Å; E269-R287 IonicContact OE1-NH2 2.75Å; E269-R287 IonicContact OE2-CZ 2.82Å; E269-R287 IonicContact OE2-NE 2.95Å; E269-R287 PolarHBondContact OE2-NE 3.08Å; E269-R287 IonicContact OE2-NH2 3.55Å; E269-R287 PolarHBondContact OE2-NH2 2.86Å; T285-R287 PolarHBondContact O-N 2.91Å; T285-R287 VanDerWaalsContact O-N 3.15Å; T285-R287 PolarHBondContact OG1-N 2.86Å
288	T	89.6	Confident	90.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-16.8	175	64.9	0	0	0	0	112	P238 L239 Y273 Q284 T285 R373	P238-T288 HydrophobicContact CB-CG2 3.83Å; P238-T288 HydrophobicContact CG-CG2 3.87Å; L239-T288 WeakPolarHBondContact CD2-O 3.45Å; Y273-T288 HydrophobicContact CD2-CG2 3.85Å; Y273-T288 HydrophobicContact CE1-CG2 4.49Å; Y273-T288 HydrophobicContact CE2-CG2 3.63Å; Y273-T288 HydrophobicContact CG-CG2 4.37Å; Q284-T288 VanDerWaalsContact CA-OG1 3.26Å; Q284-T288 WeakPolarHBondContact CA-OG1 3.26Å; Q284-T288 PolarHBondContact OE1-OG1 3.49Å; T285-T288 PolarHBondContact N-OG1 3Å; T285-T288 PolarHBondContact O-N 2.84Å; T285-T288 PolarHBondContact O-OG1 3.11Å; T288-R373 PolarHBondContact O-NH1 2.84Å
289	A	87.1	Confident	90.5	Very high	42 Å²	42	43.9 Å²	43.9	35%	0.347	22%	0.221	S	C	.	.	S	Bend	trans	-71.1	145.2	178.8	0	0	0	0	0	111	H236 T285	H236-A289 PolarHBondContact CE1-O 2.88Å; H236-A289 PolarHBondContact ND1-O 2.94Å; T285-A289 PolarHBondContact O-N 3.03Å
290	L	86.4	Confident	90.5	Very high	23 Å²	23	43.3 Å²	43.3	12%	0.12	22%	0.216	C	C	.	.			trans	-60.5	146.9	168.1	-74.3	172.9	0	0	0	109.4	T292 P372 R373 E596	L290-T292 HydrophobicContact CB-CG2 4.02Å; L290-T292 HydrophobicContact CD1-CG2 4.48Å; L290-T292 PolarHBondContact O-N 3.16Å; L290-P372 HydrophobicContact CD1-CB 4.47Å; L290-P372 HydrophobicContact CD1-CG 4.32Å; L290-R373 HydrophobicContact CD1-CG 4.34Å; L290-R373 HydrophobicContact CD2-CB 4.17Å; L290-R373 HydrophobicContact CD2-CG 3.56Å; L290-R373 HydrophobicContact CG-CG 3.84Å; L290-E596 HydrophobicContact CD1-CG 4.33Å; L290-E596 HydrophobicContact CD2-CG 3.79Å
291	R	85.3	Confident	90.3	Very high	17 Å²	17	43.2 Å²	43.2	6%	0.064	22%	0.215	C	C	.	.	S	Bend	trans	-69.1	9.3	175.7	-70.4	-168.3	178.4	-83.3	-8.3	114.3	L197 S199 S200 Q203 E207 N234	L197-R291 VanDerWaalsContact O-CZ 3.24Å; L197-R291 PolarHBondContact O-NH1 3.16Å; L197-R291 PolarHBondContact O-NH2 3.47Å; L197-R291 VanDerWaalsContact O-NH2 3.16Å; S199-R291 PolarHBondContact O-NH1 2.94Å; S200-R291 CarbonylContact C-O 3.59Å; S200-R291 WeakPolarHBondContact CA-O 3.3Å; S200-R291 WeakPolarHBondContact CB-O 3.45Å; S200-R291 VanDerWaalsContact O-O 3.04Å; Q203-R291 HydrophobicContact CB-CB 4.04Å; E207-R291 WeakPolarHBondContact OE1-CD 3.14Å; E207-R291 IonicContact OE1-CZ 3.44Å; E207-R291 IonicContact OE1-NE 3.66Å; E207-R291 PolarHBondContact OE1-NE 2.69Å; E207-R291 IonicContact OE1-NH2 3.18Å; E207-R291 PolarHBondContact OE1-NH2 3.43Å; E207-R291 IonicContact OE2-CZ 3.51Å; E207-R291 IonicContact OE2-NE 3.39Å; E207-R291 IonicContact OE2-NH2 2.87Å; E207-R291 PolarHBondContact OE2-NH2 2.95Å; E207-R291 VanDerWaalsContact OE2-NH2 3.09Å; N234-R291 PolarHBondContact O-NH2 3.48Å
292	T	82.8	Confident	90.1	Very high	8 Å²	8	43 Å²	43	5%	0.049	21%	0.214	C	C	.	.			trans	-108.5	134.7	-176.9	-163.8	0	0	0	0	110.8	Q203 L290 Q294 A594 L595	Q203-T292 PolarHBondContact OE1-OG1 2.92Å; L290-T292 HydrophobicContact CB-CG2 4.02Å; L290-T292 HydrophobicContact CD1-CG2 4.48Å; L290-T292 PolarHBondContact O-N 3.16Å; T292-Q294 VanDerWaalsContact C-N 3.33Å; T292-Q294 PolarHBondContact OG1-N 2.82Å; T292-A594 HydrophobicContact CG2-CB 4.16Å; T292-L595 WeakPolarHBondContact CG2-O 3.47Å
293	N	76.6	Confident	89.9	Confident	136 Å²	136	42.4 Å²	42.4	73%	0.727	21%	0.209	S	C	*	.			trans	-94.1	4.2	168.9	-62.9	-30	0	0	0	111.6	E295	N293-E295 PolarHBondContact O-N 3.12Å
294	Q	84	Confident	89.5	Confident	83 Å²	83	40 Å²	40	39%	0.388	20%	0.198	S	C	.	.			trans	-87.3	100.5	-177.7	-66.1	-174.6	-0.5	0	0	110.5	T292	T292-Q294 VanDerWaalsContact C-N 3.33Å; T292-Q294 PolarHBondContact OG1-N 2.82Å
295	E	90.7	Very high	88.6	Confident	121 Å²	121	41 Å²	41	57%	0.565	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.7	167.2	-65.6	-170.9	155.2	0	0	110.7	N293 W544 V592	N293-E295 PolarHBondContact O-N 3.12Å; E295-W544 PolarHBondContact O-NE1 3.06Å; E295-V592 HydrophobicContact CB-CG1 3.6Å; E295-V592 HydrophobicContact CG-CG1 4.32Å
296	R	93.3	Very high	87.7	Confident	20 Å²	20	42.2 Å²	42.2	8%	0.075	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.3	-179.9	-57	-168.8	-178.5	-123.5	-9.3	110.3	L298 D319 V592 C593 L595	R296-L298 VanDerWaalsContact O-CD1 3.3Å; R296-L298 WeakPolarHBondContact O-CD1 3.43Å; R296-D319 IonicContact NH1-OD1 3.52Å; R296-D319 PolarHBondContact NH1-OD1 2.96Å; R296-D319 VanDerWaalsContact NH1-OD1 3.15Å; R296-V592 WeakPolarHBondContact O-CA 3.45Å; R296-C593 PolarHBondContact N-O 3.39Å; R296-C593 PolarHBondContact O-N 3.08Å; R296-L595 HydrophobicContact CB-CD1 4.21Å; R296-L595 HydrophobicContact CG-CB 4.41Å
297	L	96.3	Very high	86	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	120.2	170.9	176.1	62	0	0	0	109.9	Y317 L318 W325 A542 W544 Y549 L551 V592	L297-Y317 CarbonylContact O-C 3.57Å; L297-Y317 WeakPolarHBondContact O-CA 3.09Å; L297-Y317 WeakPolarHBondContact O-CB 3.29Å; L297-L318 HydrophobicContact CB-CB 4.43Å; L297-L318 PolarHBondContact O-N 2.87Å; L297-W325 HydrophobicContact CD2-CH2 4.27Å; L297-W325 HydrophobicContact CG-CH2 4.29Å; L297-A542 HydrophobicContact CD1-CB 3.39Å; L297-W544 HydrophobicContact CB-CB 4.44Å; L297-W544 HydrophobicContact CB-CD2 3.9Å; L297-W544 HydrophobicContact CB-CE3 4.05Å; L297-W544 HydrophobicContact CB-CG 4.07Å; L297-W544 HydrophobicContact CD2-CE3 4.33Å; L297-Y549 HydrophobicContact CD2-CD1 3.6Å; L297-Y549 HydrophobicContact CD2-CD2 4.43Å; L297-Y549 HydrophobicContact CD2-CE1 4.18Å; L297-Y549 HydrophobicContact CD2-CG 3.76Å; L297-L551 HydrophobicContact CD1-CD1 4.15Å; L297-L551 HydrophobicContact CD2-CD1 4.41Å; L297-L551 HydrophobicContact CD2-CD2 4.26Å; L297-V592 HydrophobicContact CD1-CG2 4.22Å
298	L	96.2	Very high	84.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	147.5	176.1	-61.9	100	0	0	0	112	R296 T315 C316 I347 A590 C591 C593 L595	R296-L298 VanDerWaalsContact O-CD1 3.3Å; R296-L298 WeakPolarHBondContact O-CD1 3.43Å; L298-T315 HydrophobicContact CD2-CG2 4.25Å; L298-C316 CarbonylContact C-O 3.56Å; L298-C316 VanDerWaalsContact CA-O 3.27Å; L298-C316 WeakPolarHBondContact CA-O 3.4Å; L298-I347 HydrophobicContact CD1-CD1 4.1Å; L298-I347 HydrophobicContact CD2-CD1 3.73Å; L298-A590 VanDerWaalsContact O-CA 3.25Å; L298-A590 WeakPolarHBondContact O-CA 3.24Å; L298-C591 PolarHBondContact N-O 3.11Å; L298-C591 PolarHBondContact O-N 3.02Å; L298-C593 HydrophobicContact CD1-CB 3.76Å; L298-L595 HydrophobicContact CD1-CD1 4.32Å; L298-L595 HydrophobicContact CD2-CD1 3.95Å; L298-L595 HydrophobicContact CG-CD1 4.19Å
299	F	95.8	Very high	83.3	Confident	9 Å²	9	52.1 Å²	52.1	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.9	169.4	-175.4	-91	0	0	0	109.9	G301 T315 C316 W325 L551 L581 I585 A590	F299-G301 WeakPolarHBondContact CE1-O 3.39Å; F299-T315 WeakPolarHBondContact O-CA 3.46Å; F299-C316 PolarHBondContact N-O 2.86Å; F299-C316 PolarHBondContact O-N 3.43Å; F299-W325 HydrophobicContact CB-CH2 4.08Å; F299-W325 HydrophobicContact CB-CZ3 3.79Å; F299-L551 HydrophobicContact CD2-CB 3.65Å; F299-L551 HydrophobicContact CD2-CD1 4.48Å; F299-L551 HydrophobicContact CD2-CD2 4.47Å; F299-L551 HydrophobicContact CD2-CG 4.42Å; F299-L551 HydrophobicContact CE2-CB 3.88Å; F299-L581 HydrophobicContact CB-CD2 4.17Å; F299-L581 HydrophobicContact CD1-CD2 4.15Å; F299-L581 HydrophobicContact CD2-CD1 4.34Å; F299-L581 HydrophobicContact CD2-CD2 4.38Å; F299-L581 HydrophobicContact CE1-CD1 4.34Å; F299-L581 HydrophobicContact CE2-CD1 4.14Å; F299-L581 HydrophobicContact CG-CD2 3.95Å; F299-L581 HydrophobicContact CZ-CD1 4.14Å; F299-I585 HydrophobicContact CE1-CD1 3.98Å; F299-I585 HydrophobicContact CE1-CG1 4.21Å; F299-I585 HydrophobicContact CE1-CG2 3.63Å; F299-I585 HydrophobicContact CZ-CD1 4.5Å; F299-I585 HydrophobicContact CZ-CG1 4.24Å; F299-I585 HydrophobicContact CZ-CG2 3.51Å; F299-A590 HydrophobicContact CD2-CB 4.45Å
300	V	94.9	Very high	83	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	121.4	-164.1	-172.6	0	0	0	0	111.1	T315 L331 H338 V340 I349 S589	V300-T315 HydrophobicContact CG2-CG2 4.19Å; V300-L331 HydrophobicContact CG1-CD1 4.06Å; V300-L331 HydrophobicContact CG1-CD2 3.68Å; V300-L331 HydrophobicContact CG1-CG 4.23Å; V300-H338 PolarHBondContact O-CE1 2.7Å; V300-H338 PolarHBondContact O-NE2 2.89Å; V300-V340 HydrophobicContact CB-CG2 4.12Å; V300-V340 HydrophobicContact CG1-CG2 4.32Å; V300-V340 HydrophobicContact CG2-CG2 4.17Å; V300-I349 HydrophobicContact CG1-CD1 3.56Å; V300-I349 HydrophobicContact CG1-CG1 4.44Å; V300-S589 PolarHBondContact N-O 2.86Å; V300-S589 PolarHBondContact O-N 2.96Å
301	G	91.9	Very high	83	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	57	-156.9	169.6	0	0	0	0	0	114.4	F299 D314 I585	F299-G301 WeakPolarHBondContact CE1-O 3.39Å; G301-D314 PolarHBondContact N-O 3.21Å; G301-I585 WeakPolarHBondContact O-CD1 3.47Å
302	G	91.6	Very high	83.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	117.7	-179.9	178.9	0	0	0	0	0	113.9	S312 R335 A586	G302-S312 PolarHBondContact O-N 3.11Å; G302-R335 PolarHBondContact N-O 3.43Å; G302-A586 CarbonylContact C-O 3.59Å; G302-A586 WeakPolarHBondContact CA-O 3.29Å
303	E	90.1	Very high	83.5	Confident	18 Å²	18	56 Å²	56	8%	0.084	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130	-179.7	-174.8	175.8	141.1	0	0	110.9	E310 L311 H337 R356 F561 I585 A586	E303-E310 WeakPolarHBondContact CA-O 3.29Å; E303-E310 WeakPolarHBondContact CG-O 3.22Å; E303-L311 HydrophobicContact CB-CD2 4.39Å; E303-H337 IonicContact OE2-CE1 3.48Å; E303-R356 HydrophobicContact CG-CG 4.46Å; E303-R356 WeakPolarHBondContact OE1-CD 3.49Å; E303-R356 WeakPolarHBondContact OE1-CG 3.23Å; E303-R356 IonicContact OE1-CZ 3.04Å; E303-R356 IonicContact OE1-NE 2.6Å; E303-R356 PolarHBondContact OE1-NE 3.49Å; E303-R356 IonicContact OE1-NH2 3.65Å; E303-R356 PolarHBondContact OE1-NH2 3.31Å; E303-F561 HydrophobicContact CB-CE1 4.18Å; E303-F561 HydrophobicContact CG-CE1 3.94Å; E303-F561 HydrophobicContact CG-CZ 3.98Å; E303-F561 WeakPolarHBondContact OE1-CZ 3.21Å; E303-I585 VanDerWaalsContact O-CA 3.3Å; E303-I585 WeakPolarHBondContact O-CA 3.47Å; E303-I585 WeakPolarHBondContact O-CG1 3.41Å; E303-A586 PolarHBondContact N-O 2.97Å; E303-A586 PolarHBondContact O-N 2.98Å
304	V	86.4	Confident	84.2	Confident	3 Å²	3	51 Å²	51	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.7	-175.9	-69.2	0	0	0	0	111	L309 E310 K583 I585	V304-L309 HydrophobicContact CG2-CB 4.23Å; V304-L309 WeakPolarHBondContact CG2-O 3.36Å; V304-E310 PolarHBondContact N-O 3.37Å; V304-K583 HydrophobicContact CG1-CD 4.4Å; V304-I585 HydrophobicContact CG1-CB 4.19Å; V304-I585 HydrophobicContact CG1-CD1 3.51Å; V304-I585 HydrophobicContact CG1-CG1 3.92Å
305	S	71.8	Confident	84.6	Confident	83 Å²	83	47.3 Å²	47.3	58%	0.58	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	60.8	174.1	177.1	0	0	0	0	111
306	E	72	Confident	84.8	Confident	86 Å²	86	42 Å²	42	40%	0.402	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.5	176.1	-70.5	-175.4	167.1	0	0	111	C308 L309	E306-C308 PolarHBondContact O-N 3.11Å; E306-L309 PolarHBondContact O-N 3.22Å
307	R	53	Low	84.9	Confident	244 Å²	244	41.4 Å²	41.4	92%	0.921	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.8	113.3	-172.7	-66.7	177	-179.8	173.6	-0.3	111.6
308	C	59.3	Low	84.8	Confident	138 Å²	138	42.1 Å²	42.1	93%	0.932	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	6	179.2	-49.8	0	0	0	0	117.3	E306	E306-C308 PolarHBondContact O-N 3.11Å
309	L	64.1	Low	84.5	Confident	63 Å²	63	43.6 Å²	43.6	33%	0.33	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.3	174.8	-69.9	169.7	0	0	0	109.3	V304 E306	V304-L309 HydrophobicContact CG2-CB 4.23Å; V304-L309 WeakPolarHBondContact CG2-O 3.36Å; E306-L309 PolarHBondContact O-N 3.22Å
310	E	80.6	Confident	83.9	Confident	109 Å²	109	46 Å²	46	51%	0.509	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-30.5	177.8	-63.9	-179.2	168.3	0	0	112	E303 V304	E303-E310 WeakPolarHBondContact CA-O 3.29Å; E303-E310 WeakPolarHBondContact CG-O 3.22Å; V304-E310 PolarHBondContact N-O 3.37Å
311	L	87.1	Confident	83.5	Confident	17 Å²	17	54 Å²	54	9%	0.089	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.9	-173.9	-60.3	176.1	0	0	0	111.6	E303 R334 S336 F354	E303-L311 HydrophobicContact CB-CD2 4.39Å; L311-R334 HydrophobicContact CB-CB 3.87Å; L311-R334 WeakPolarHBondContact O-CD 3.45Å; L311-S336 WeakPolarHBondContact CD2-OG 3.38Å; L311-F354 VanDerWaalsContact CD1-O 3.24Å; L311-F354 WeakPolarHBondContact CD1-O 3.44Å
312	S	88.5	Confident	83.2	Confident	6 Å²	6	56.8 Å²	56.8	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	142	178.8	-170.3	0	0	0	0	112	G302 D314	G302-S312 PolarHBondContact O-N 3.11Å; S312-D314 WeakPolarHBondContact OG-CB 3.08Å; S312-D314 PolarHBondContact OG-N 3.18Å; S312-D314 VanDerWaalsContact OG-N 3.12Å
313	D	90.3	Very high	83.1	Confident	39 Å²	39	63 Å²	63	21%	0.209	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	3.1	165.1	46.7	14	0	0	0	111.7	T315 P330 L331 R334	D313-T315 PolarHBondContact O-N 2.94Å; D313-P330 CarbonylContact O-C 3.5Å; D313-P330 VanDerWaalsContact O-CA 3.28Å; D313-P330 WeakPolarHBondContact O-CA 3.45Å; D313-P330 WeakPolarHBondContact O-CB 3.29Å; D313-L331 HydrophobicContact CB-CB 3.99Å; D313-L331 PolarHBondContact O-N 3.25Å; D313-R334 HydrophobicContact CB-CB 4.47Å; D313-R334 HydrophobicContact CB-CG 3.57Å; D313-R334 IonicContact OD1-NE 2.97Å; D313-R334 WeakPolarHBondContact OD2-CG 3.32Å; D313-R334 IonicContact OD2-CZ 2.98Å; D313-R334 IonicContact OD2-NE 3.75Å; D313-R334 PolarHBondContact OD2-NE 3.08Å; D313-R334 IonicContact OD2-NH2 3.86Å
314	D	90.9	Very high	83.2	Confident	32 Å²	32	67.8 Å²	67.8	17%	0.171	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	132.7	-179.8	-75.4	-45.5	0	0	0	110.2	G301 S312 K327 K583	G301-D314 PolarHBondContact N-O 3.21Å; S312-D314 WeakPolarHBondContact OG-CB 3.08Å; S312-D314 PolarHBondContact OG-N 3.18Å; S312-D314 VanDerWaalsContact OG-N 3.12Å; D314-K327 IonicContact OD1-NZ 3.85Å; D314-K327 PolarHBondContact OD1-NZ 2.95Å; D314-K327 IonicContact OD2-NZ 2.74Å; D314-K583 IonicContact OD2-NZ 3.11Å; D314-K583 PolarHBondContact OD2-NZ 3.46Å
315	T	92.9	Very high	83.6	Confident	5 Å²	5	69 Å²	69	3%	0.031	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.5	164	-61	0	0	0	0	107.1	L298 F299 V300 D313 E328 T329	L298-T315 HydrophobicContact CD2-CG2 4.25Å; F299-T315 WeakPolarHBondContact O-CA 3.46Å; V300-T315 HydrophobicContact CG2-CG2 4.19Å; D313-T315 PolarHBondContact O-N 2.94Å; T315-E328 HydrophobicContact CG2-CB 4.15Å; T315-E328 PolarHBondContact O-N 2.6Å; T315-T329 WeakPolarHBondContact CB-O 3.42Å; T315-T329 PolarHBondContact OG1-O 2.74Å
316	C	94.1	Very high	84.6	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.5	178.5	55	0	0	0	0	111.6	L298 F299 W325 V326	L298-C316 CarbonylContact C-O 3.56Å; L298-C316 VanDerWaalsContact CA-O 3.27Å; L298-C316 WeakPolarHBondContact CA-O 3.4Å; F299-C316 PolarHBondContact N-O 2.86Å; F299-C316 PolarHBondContact O-N 3.43Å; C316-W325 HydrophobicContact CB-CE3 4.01Å; C316-V326 CarbonylContact C-O 3.56Å; C316-V326 WeakPolarHBondContact CA-O 3.49Å; C316-V326 VanDerWaalsContact CB-O 3.25Å; C316-V326 WeakPolarHBondContact CB-O 3.31Å
317	Y	94.6	Very high	85.6	Confident	7 Å²	7	68 Å²	68	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.3	170.7	67.4	-97.5	0	0	0	110.9	L297 D319 W325 V326 E328 L595	L297-Y317 CarbonylContact O-C 3.57Å; L297-Y317 WeakPolarHBondContact O-CA 3.09Å; L297-Y317 WeakPolarHBondContact O-CB 3.29Å; Y317-D319 HydrophobicContact CE2-CB 4.15Å; Y317-W325 WeakPolarHBondContact O-CA 3.3Å; Y317-V326 HydrophobicContact CD1-CB 4.46Å; Y317-V326 HydrophobicContact CD2-CB 4.32Å; Y317-V326 HydrophobicContact CE1-CB 3.97Å; Y317-V326 HydrophobicContact CE1-CG1 3.91Å; Y317-V326 HydrophobicContact CE2-CB 3.77Å; Y317-V326 HydrophobicContact CE2-CG1 4.31Å; Y317-V326 HydrophobicContact CE2-CG2 4.1Å; Y317-V326 PolarHBondContact N-O 2.91Å; Y317-V326 PolarHBondContact O-N 2.94Å; Y317-V326 WeakPolarHBondContact OH-CG1 3.25Å; Y317-E328 HydrophobicContact CD1-CB 4.29Å; Y317-E328 WeakPolarHBondContact CE1-OE2 3.48Å; Y317-L595 HydrophobicContact CD1-CD1 3.7Å; Y317-L595 HydrophobicContact CE1-CD1 4.39Å; Y317-L595 HydrophobicContact CG-CD1 3.91Å
318	L	93.9	Very high	87.4	Confident	15 Å²	15	57.7 Å²	57.7	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.5	173.8	-177.7	62.8	0	0	0	109.7	L297 W325 W544 V579	L297-L318 HydrophobicContact CB-CB 4.43Å; L297-L318 PolarHBondContact O-N 2.87Å; L318-W325 HydrophobicContact CB-CD2 4.48Å; L318-W325 HydrophobicContact CB-CE3 4.36Å; L318-W325 HydrophobicContact CB-CH2 4.16Å; L318-W325 HydrophobicContact CB-CZ2 4.27Å; L318-W325 HydrophobicContact CB-CZ3 4.22Å; L318-W325 HydrophobicContact CD1-CD2 4.49Å; L318-W544 HydrophobicContact CD2-CH2 4.46Å; L318-W544 HydrophobicContact CD2-CZ3 3.93Å; L318-V579 HydrophobicContact CD1-CB 4.01Å; L318-V579 HydrophobicContact CD1-CG1 4.23Å; L318-V579 HydrophobicContact CD1-CG2 4.18Å
319	D	90	Very high	89	Confident	32 Å²	32	52.7 Å²	52.7	17%	0.171	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.1	171.6	-177	46.3	0	0	0	110	R296 Y317 K321 S322 E323 Q324 V326	R296-D319 IonicContact NH1-OD1 3.52Å; R296-D319 PolarHBondContact NH1-OD1 2.96Å; R296-D319 VanDerWaalsContact NH1-OD1 3.15Å; Y317-D319 HydrophobicContact CE2-CB 4.15Å; D319-K321 PolarHBondContact O-N 2.84Å; D319-S322 WeakPolarHBondContact CB-OG 3.22Å; D319-S322 PolarHBondContact O-N 2.87Å; D319-S322 WeakPolarHBondContact OD2-CB 3.34Å; D319-S322 PolarHBondContact OD2-N 3.07Å; D319-S322 PolarHBondContact OD2-OG 2.94Å; D319-E323 WeakPolarHBondContact O-CA 3.5Å; D319-E323 PolarHBondContact O-N 3.15Å; D319-Q324 PolarHBondContact N-O 2.83Å; D319-V326 HydrophobicContact CB-CG2 4.01Å
320	A	84.6	Confident	90.4	Very high	59 Å²	59	53 Å²	53	49%	0.488	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.3	-176.3	0	0	0	0	0	113.4	W544	A320-W544 HydrophobicContact CB-CH2 4.11Å
321	K	85.7	Confident	90.9	Very high	169 Å²	169	48.2 Å²	48.2	74%	0.735	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-40.7	-178.5	-67.3	-175.2	179.6	-176.9	0	112.9	D319	D319-K321 PolarHBondContact O-N 2.84Å
322	S	86.3	Confident	91.1	Very high	58 Å²	58	50.6 Å²	50.6	41%	0.406	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-10.3	-179.7	60	0	0	0	0	113.4	D319 Q324	D319-S322 WeakPolarHBondContact CB-OG 3.22Å; D319-S322 PolarHBondContact O-N 2.87Å; D319-S322 WeakPolarHBondContact OD2-CB 3.34Å; D319-S322 PolarHBondContact OD2-N 3.07Å; D319-S322 PolarHBondContact OD2-OG 2.94Å; S322-Q324 WeakPolarHBondContact O-CG 3.34Å; S322-Q324 PolarHBondContact O-N 2.89Å
323	E	89.2	Confident	91	Very high	132 Å²	132	51.9 Å²	51.9	62%	0.617	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	39.1	-171.8	-60.1	-173	155.1	0	0	111.9	D319 V579	D319-E323 WeakPolarHBondContact O-CA 3.5Å; D319-E323 PolarHBondContact O-N 3.15Å; E323-V579 HydrophobicContact CB-CG2 4.08Å; E323-V579 VanDerWaalsContact O-CG1 3.3Å; E323-V579 WeakPolarHBondContact O-CG1 3.39Å
324	Q	92.6	Very high	90.9	Very high	118 Å²	118	55.4 Å²	55.4	55%	0.551	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.5	-179.6	-65.3	-60	-56.8	0	0	111.7	D319 S322	D319-Q324 PolarHBondContact N-O 2.83Å; S322-Q324 WeakPolarHBondContact O-CG 3.34Å; S322-Q324 PolarHBondContact O-N 2.89Å
325	W	93.9	Very high	91	Very high	27 Å²	27	53.9 Å²	53.9	10%	0.102	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	120.7	170.7	-72.7	94.8	0	0	0	110.3	L297 F299 C316 Y317 L318 L551 V565 V579 D580 L581 P582	L297-W325 HydrophobicContact CD2-CH2 4.27Å; L297-W325 HydrophobicContact CG-CH2 4.29Å; F299-W325 HydrophobicContact CB-CH2 4.08Å; F299-W325 HydrophobicContact CB-CZ3 3.79Å; C316-W325 HydrophobicContact CB-CE3 4.01Å; Y317-W325 WeakPolarHBondContact O-CA 3.3Å; L318-W325 HydrophobicContact CB-CD2 4.48Å; L318-W325 HydrophobicContact CB-CE3 4.36Å; L318-W325 HydrophobicContact CB-CH2 4.16Å; L318-W325 HydrophobicContact CB-CZ2 4.27Å; L318-W325 HydrophobicContact CB-CZ3 4.22Å; L318-W325 HydrophobicContact CD1-CD2 4.49Å; W325-L551 HydrophobicContact CH2-CD2 3.35Å; W325-L551 HydrophobicContact CZ2-CD2 3.4Å; W325-L551 VanDerWaalsContact CZ2-CD2 3.4Å; W325-V565 HydrophobicContact CZ2-CG2 4.33Å; W325-V579 PolarHBondContact NE1-O 2.86Å; W325-V579 VanDerWaalsContact NE1-O 3.11Å; W325-D580 PolarHBondContact NE1-O 3.33Å; W325-L581 HydrophobicContact CD2-CD2 4.05Å; W325-L581 HydrophobicContact CE3-CD2 4.36Å; W325-L581 HydrophobicContact CH2-CD2 3.96Å; W325-L581 HydrophobicContact CZ2-CD2 3.62Å; W325-L581 HydrophobicContact CZ3-CD2 4.3Å; W325-P582 HydrophobicContact CB-CG 3.68Å; W325-P582 HydrophobicContact CG-CG 4.2Å
326	V	93.1	Very high	90.9	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.067	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.2	-179.3	-179.1	0	0	0	0	109.6	C316 Y317 D319 R598	C316-V326 CarbonylContact C-O 3.56Å; C316-V326 WeakPolarHBondContact CA-O 3.49Å; C316-V326 VanDerWaalsContact CB-O 3.25Å; C316-V326 WeakPolarHBondContact CB-O 3.31Å; Y317-V326 HydrophobicContact CD1-CB 4.46Å; Y317-V326 HydrophobicContact CD2-CB 4.32Å; Y317-V326 HydrophobicContact CE1-CB 3.97Å; Y317-V326 HydrophobicContact CE1-CG1 3.91Å; Y317-V326 HydrophobicContact CE2-CB 3.77Å; Y317-V326 HydrophobicContact CE2-CG1 4.31Å; Y317-V326 HydrophobicContact CE2-CG2 4.1Å; Y317-V326 PolarHBondContact N-O 2.91Å; Y317-V326 PolarHBondContact O-N 2.94Å; Y317-V326 WeakPolarHBondContact OH-CG1 3.25Å; D319-V326 HydrophobicContact CB-CG2 4.01Å; V326-R598 VanDerWaalsContact CG1-CZ 3.43Å
327	K	92.4	Very high	90.9	Very high	139 Å²	139	54.7 Å²	54.7	60%	0.604	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	137.1	176.5	-64.9	-165.9	175.2	-144.3	0	111.6	D314	D314-K327 IonicContact OD1-NZ 3.85Å; D314-K327 PolarHBondContact OD1-NZ 2.95Å; D314-K327 IonicContact OD2-NZ 2.74Å
328	E	91.6	Very high	90.9	Very high	27 Å²	27	54.6 Å²	54.6	13%	0.126	28%	0.283	C	S	.	.			trans	-114	-172.1	171.8	-161.3	52.1	-108.8	0	0	109.7	T315 Y317 Y370 K375	T315-E328 HydrophobicContact CG2-CB 4.15Å; T315-E328 PolarHBondContact O-N 2.6Å; Y317-E328 HydrophobicContact CD1-CB 4.29Å; Y317-E328 WeakPolarHBondContact CE1-OE2 3.48Å; E328-Y370 WeakPolarHBondContact CG-OH 3.37Å; E328-Y370 PolarHBondContact OE1-OH 2.72Å; E328-K375 IonicContact OE1-NZ 3.43Å; E328-K375 PolarHBondContact OE1-NZ 3.05Å; E328-K375 IonicContact OE2-NZ 3.09Å
329	T	92.1	Very high	91	Very high	33 Å²	33	54.6 Å²	54.6	20%	0.202	28%	0.284	C	S	.	.	S	Bend	trans	-54.2	120.3	177.3	-52	0	0	0	0	111.5	T315 Y370 K375	T315-T329 WeakPolarHBondContact CB-O 3.42Å; T315-T329 PolarHBondContact OG1-O 2.74Å; T329-Y370 HydrophobicContact CG2-CE2 4.09Å; T329-Y370 PolarHBondContact OG1-OH 3.06Å; T329-K375 WeakPolarHBondContact CG2-O 3.29Å; T329-K375 PolarHBondContact OG1-O 2.91Å; T329-K375 VanDerWaalsContact OG1-O 3.07Å
330	P	93.6	Very high	91.3	Very high	70 Å²	70	53.9 Å²	53.9	46%	0.455	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-67.8	161.2	180	29.7	-35.7	0	0	0	111.8	D313 W377	D313-P330 CarbonylContact O-C 3.5Å; D313-P330 VanDerWaalsContact O-CA 3.28Å; D313-P330 WeakPolarHBondContact O-CA 3.45Å; D313-P330 WeakPolarHBondContact O-CB 3.29Å; P330-W377 PolarHBondContact O-NE1 2.71Å
331	L	92	Very high	91.9	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.037	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-63.4	146	176.7	-61	-174.8	0	0	0	111.6	V300 D313 A333 R335 I349 W377	V300-L331 HydrophobicContact CG1-CD1 4.06Å; V300-L331 HydrophobicContact CG1-CD2 3.68Å; V300-L331 HydrophobicContact CG1-CG 4.23Å; D313-L331 HydrophobicContact CB-CB 3.99Å; D313-L331 PolarHBondContact O-N 3.25Å; L331-A333 PolarHBondContact O-N 2.76Å; L331-A333 VanDerWaalsContact O-N 3.15Å; L331-R335 HydrophobicContact CD1-CG 4.17Å; L331-I349 HydrophobicContact CD1-CD1 4.41Å; L331-I349 HydrophobicContact CD2-CD1 3.12Å; L331-I349 HydrophobicContact CG-CD1 4.37Å; L331-W377 HydrophobicContact CD2-CH2 4.13Å; L331-W377 HydrophobicContact CD2-CZ2 3.69Å
332	P	89.9	Confident	92.5	Very high	68 Å²	68	45.4 Å²	45.4	44%	0.442	24%	0.238	S	C	.	.	S	Bend	trans	-59.7	-26.1	174.1	-26.6	36.1	0	0	0	113.9	Y368 W377	P332-Y368 HydrophobicContact CB-CD1 4.27Å; P332-Y368 HydrophobicContact CB-CE1 3.86Å; P332-Y368 HydrophobicContact CG-CD1 3.78Å; P332-Y368 HydrophobicContact CG-CE1 3.9Å; P332-Y368 HydrophobicContact CG-CG 4.38Å; P332-W377 HydrophobicContact CG-CB 3.5Å; P332-W377 HydrophobicContact CG-CD2 4.32Å; P332-W377 HydrophobicContact CG-CG 3.73Å
333	A	87	Confident	92.9	Very high	32 Å²	32	43.3 Å²	43.3	26%	0.264	22%	0.222	S	C	.	.	S	Bend	trans	-153.5	137.5	174.1	0	0	0	0	0	110.2	L331 R335 F354	L331-A333 PolarHBondContact O-N 2.76Å; L331-A333 VanDerWaalsContact O-N 3.15Å; A333-R335 PolarHBondContact O-NE 2.84Å; A333-R335 PolarHBondContact O-NH2 3.32Å; A333-F354 HydrophobicContact CB-CE1 3.95Å
334	R	89.6	Confident	93.1	Very high	113 Å²	113	38.2 Å²	38.2	43%	0.426	21%	0.205	S	C	.	.			trans	-57.9	136.1	176.8	-63.9	173.1	-180	-163.6	-3.4	111	L311 D313 F354	L311-R334 HydrophobicContact CB-CB 3.87Å; L311-R334 WeakPolarHBondContact O-CD 3.45Å; D313-R334 HydrophobicContact CB-CB 4.47Å; D313-R334 HydrophobicContact CB-CG 3.57Å; D313-R334 IonicContact OD1-NE 2.97Å; D313-R334 WeakPolarHBondContact OD2-CG 3.32Å; D313-R334 IonicContact OD2-CZ 2.98Å; D313-R334 IonicContact OD2-NE 3.75Å; D313-R334 PolarHBondContact OD2-NE 3.08Å; D313-R334 IonicContact OD2-NH2 3.86Å; R334-F354 WeakPolarHBondContact O-CD1 3.45Å
335	R	91	Very high	93.1	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	19%	0.194	C	C	.	.			trans	-163.2	156	-178.6	65.3	-168.1	74	173	4	112.3	G302 L331 A333 H338 S353 Y368	G302-R335 PolarHBondContact N-O 3.43Å; L331-R335 HydrophobicContact CD1-CG 4.17Å; A333-R335 PolarHBondContact O-NE 2.84Å; A333-R335 PolarHBondContact O-NH2 3.32Å; R335-H338 HydrophobicContact CG-CB 4.12Å; R335-S353 WeakPolarHBondContact CA-O 3.45Å; R335-S353 WeakPolarHBondContact CB-O 3.4Å; R335-Y368 VanDerWaalsContact NH1-CD2 3.3Å
336	S	92.4	Very high	93.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-122.3	167.9	169.4	65	0	0	0	0	110.7	L311 H338 G352 S353 G587	L311-S336 WeakPolarHBondContact CD2-OG 3.38Å; S336-H338 PolarHBondContact O-N 2.75Å; S336-G352 CarbonylContact O-C 3.52Å; S336-G352 WeakPolarHBondContact O-CA 3.32Å; S336-S353 PolarHBondContact N-O 3.06Å; S336-S353 VanDerWaalsContact N-O 3.16Å; S336-S353 PolarHBondContact O-N 2.96Å; S336-G587 CarbonylContact C-O 3.58Å
337	H	93.3	Very high	93.3	Very high	30 Å²	30	32.4 Å²	32.4	14%	0.139	19%	0.187	C	C	.	.	S	Bend	trans	53.6	27.7	175.2	-58.8	87.7	0	0	0	113.7	E303 G352 V388 D389 E538 G587	E303-H337 IonicContact OE2-CE1 3.48Å; H337-G352 WeakPolarHBondContact O-CA 3.48Å; H337-V388 HydrophobicContact CB-CG2 3.32Å; H337-D389 IonicContact CD2-OD1 3.22Å; H337-D389 PolarHBondContact CD2-OD1 3.28Å; H337-D389 IonicContact CG-OD1 3.7Å; H337-D389 IonicContact NE2-OD1 2.76Å; H337-E538 IonicContact CE1-OE2 3.36Å; H337-E538 VanDerWaalsContact NE2-CD 3.29Å; H337-E538 IonicContact NE2-OE1 2.78Å; H337-E538 IonicContact NE2-OE2 3.37Å; H337-E538 PolarHBondContact NE2-OE2 3.21Å; H337-G587 PolarHBondContact N-O 3.31Å
338	H	94.9	Very high	93.6	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.019	16%	0.158	C	C	.	.			trans	-85.8	160.2	170.4	64.3	-78.6	0	0	0	108.5	V300 R335 S336 I349 S589	V300-H338 PolarHBondContact O-CE1 2.7Å; V300-H338 PolarHBondContact O-NE2 2.89Å; R335-H338 HydrophobicContact CG-CB 4.12Å; S336-H338 PolarHBondContact O-N 2.75Å; H338-I349 HydrophobicContact CB-CG2 4.22Å; H338-S589 PolarHBondContact O-OG 2.94Å
339	C	96.2	Very high	93.8	Very high	15 Å²	15	24.5 Å²	24.5	10%	0.101	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	146.6	175.8	-54.7	0	0	0	0	110.8	I349 A350 F390 L392	C339-I349 WeakPolarHBondContact O-CA 3.35Å; C339-A350 PolarHBondContact N-O 3.1Å; C339-A350 PolarHBondContact O-N 2.75Å; C339-F390 HydrophobicContact CB-CE1 4.44Å; C339-F390 HydrophobicContact CB-CE2 4.24Å; C339-F390 HydrophobicContact CB-CZ 4.04Å; C339-F390 PolarHBondContact SG-O 3.22Å; C339-L392 HydrophobicContact CB-CB 3.31Å; C339-L392 HydrophobicContact CB-CD2 4.2Å; C339-L392 HydrophobicContact CB-CG 4.4Å
340	V	96.6	Very high	94	Very high	18 Å²	18	23 Å²	23	11%	0.109	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.4	172.6	175.6	0	0	0	0	110.1	V300 I347 F348 I349 S589 C591	V300-V340 HydrophobicContact CB-CG2 4.12Å; V300-V340 HydrophobicContact CG1-CG2 4.32Å; V300-V340 HydrophobicContact CG2-CG2 4.17Å; V340-I347 HydrophobicContact CG1-CG2 3.52Å; V340-F348 VanDerWaalsContact CA-O 3.23Å; V340-F348 WeakPolarHBondContact CA-O 3.38Å; V340-I349 HydrophobicContact CG2-CG1 3.91Å; V340-S589 PolarHBondContact N-OG 3.47Å; V340-C591 HydrophobicContact CG1-CB 3.58Å
341	A	97.3	Very high	94.1	Very high	7 Å²	7	19.6 Å²	19.6	6%	0.058	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	150	168.8	0	0	0	0	0	110.1	F348 L392 L399	A341-F348 PolarHBondContact N-O 2.95Å; A341-F348 PolarHBondContact O-N 2.91Å; A341-L392 HydrophobicContact CB-CD2 3.67Å; A341-L392 HydrophobicContact CB-CG 3.92Å; A341-L399 HydrophobicContact CB-CD2 3.98Å
342	V	96.7	Very high	94.2	Very high	42 Å²	42	19.3 Å²	19.3	26%	0.255	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.3	177.5	-179.6	0	0	0	0	109	F346 I347 S394 C591	V342-F346 WeakPolarHBondContact CA-O 3.48Å; V342-I347 HydrophobicContact CG2-CG1 4.38Å; V342-S394 VanDerWaalsContact O-CB 3.26Å; V342-S394 WeakPolarHBondContact O-CB 3.34Å; V342-S394 PolarHBondContact O-OG 3.18Å; V342-C591 HydrophobicContact CG2-CB 3.83Å
343	L	96.3	Very high	94.2	Very high	14 Å²	14	16.2 Å²	16.2	7%	0.073	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	124.9	178.9	178.4	65.6	0	0	0	109.3	P281 G345 F346 F348 E396 L399 P419	P281-L343 HydrophobicContact CB-CD2 4.13Å; P281-L343 HydrophobicContact CB-CG 3.96Å; L343-G345 VanDerWaalsContact C-N 3.26Å; L343-G345 PolarHBondContact O-N 3.43Å; L343-F346 PolarHBondContact N-O 3.2Å; L343-F346 WeakPolarHBondContact O-CB 3.5Å; L343-F346 PolarHBondContact O-N 2.92Å; L343-F348 HydrophobicContact CB-CD2 4.2Å; L343-F348 HydrophobicContact CB-CE2 3.92Å; L343-E396 VanDerWaalsContact CD1-O 3.32Å; L343-E396 WeakPolarHBondContact CD1-O 3.46Å; L343-L399 HydrophobicContact CB-CD2 4.05Å; L343-L399 HydrophobicContact CD2-CD2 4.04Å; L343-L399 HydrophobicContact CD2-CG 4.4Å; L343-P419 HydrophobicContact CD2-CG 3.72Å
344	G	92.8	Very high	94.2	Very high	25 Å²	25	18.8 Å²	18.8	26%	0.258	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	30.6	177.1	0	0	0	0	0	115.1	P281 Q284 F346 R373	P281-G344 VanDerWaalsContact O-CA 3.3Å; P281-G344 WeakPolarHBondContact O-CA 3.43Å; Q284-G344 VanDerWaalsContact CD-O 3.25Å; Q284-G344 WeakPolarHBondContact CG-O 3.41Å; Q284-G344 PolarHBondContact OE1-O 2.93Å; G344-F346 VanDerWaalsContact C-N 3.28Å; G344-F346 WeakPolarHBondContact O-CD2 3.32Å; G344-F346 WeakPolarHBondContact O-CE2 3.3Å; G344-F346 PolarHBondContact O-N 3.01Å; G344-R373 PolarHBondContact O-NH2 2.74Å
345	G	92.4	Very high	93.8	Very high	32 Å²	32	15.8 Å²	15.8	33%	0.33	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	19.3	-174.6	0	0	0	0	0	114.2	L343 P372	L343-G345 VanDerWaalsContact C-N 3.26Å; L343-G345 PolarHBondContact O-N 3.43Å; G345-P372 WeakPolarHBondContact O-CD 3.4Å; G345-P372 VanDerWaalsContact O-CG 3.31Å; G345-P372 WeakPolarHBondContact O-CG 3.4Å
346	F	95.2	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.8	171	-61.9	-87.6	0	0	0	110.1	Y273 Q280 P281 V342 L343 G344 F348 R369 D371	Y273-F346 WeakPolarHBondContact OH-CZ 3.29Å; Q280-F346 HydrophobicContact CB-CE2 3.85Å; Q280-F346 HydrophobicContact CB-CZ 3.63Å; P281-F346 HydrophobicContact CB-CD2 3.85Å; P281-F346 HydrophobicContact CB-CE2 4.32Å; P281-F346 HydrophobicContact CG-CD2 3.71Å; P281-F346 HydrophobicContact CG-CE2 4.14Å; P281-F346 HydrophobicContact CG-CG 4.29Å; V342-F346 WeakPolarHBondContact CA-O 3.48Å; L343-F346 PolarHBondContact N-O 3.2Å; L343-F346 WeakPolarHBondContact O-CB 3.5Å; L343-F346 PolarHBondContact O-N 2.92Å; G344-F346 VanDerWaalsContact C-N 3.28Å; G344-F346 WeakPolarHBondContact O-CD2 3.32Å; G344-F346 WeakPolarHBondContact O-CE2 3.3Å; G344-F346 PolarHBondContact O-N 3.01Å; F346-F348 HydrophobicContact CB-CD2 4.48Å; F346-F348 HydrophobicContact CB-CE2 3.95Å; F346-R369 HydrophobicContact CB-CG 3.88Å; F346-R369 HydrophobicContact CD1-CG 4.26Å; F346-R369 HydrophobicContact CG-CG 4.3Å; F346-D371 HydrophobicContact CD1-CB 3.91Å; F346-D371 HydrophobicContact CE1-CB 3.74Å; F346-D371 VanDerWaalsContact CE1-CG 3.41Å
347	I	96.6	Very high	91.7	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.3	176.6	-52.7	176.3	0	0	0	108.2	L298 V340 V342 R369 Y370 W377 C593	L298-I347 HydrophobicContact CD1-CD1 4.1Å; L298-I347 HydrophobicContact CD2-CD1 3.73Å; V340-I347 HydrophobicContact CG1-CG2 3.52Å; V342-I347 HydrophobicContact CG2-CG1 4.38Å; I347-R369 CarbonylContact O-C 3.53Å; I347-R369 WeakPolarHBondContact O-CA 3.48Å; I347-Y370 HydrophobicContact CB-CD1 4.43Å; I347-Y370 HydrophobicContact CD1-CD1 4.01Å; I347-Y370 HydrophobicContact CG1-CD1 4.36Å; I347-Y370 PolarHBondContact N-O 3.21Å; I347-Y370 PolarHBondContact O-N 3.34Å; I347-W377 HydrophobicContact CG2-CH2 4.45Å; I347-C593 HydrophobicContact CD1-CB 3.89Å; I347-C593 HydrophobicContact CG1-CB 3.95Å
348	F	97.6	Very high	90.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.7	176.3	-74.4	-93.9	0	0	0	110.4	P281 V340 A341 L343 F346 L367 Y368 R369 L399 Y417	P281-F348 HydrophobicContact CB-CE2 4.38Å; P281-F348 HydrophobicContact CB-CZ 4.44Å; P281-F348 HydrophobicContact CG-CE2 3.99Å; P281-F348 HydrophobicContact CG-CZ 3.67Å; V340-F348 VanDerWaalsContact CA-O 3.23Å; V340-F348 WeakPolarHBondContact CA-O 3.38Å; A341-F348 PolarHBondContact N-O 2.95Å; A341-F348 PolarHBondContact O-N 2.91Å; L343-F348 HydrophobicContact CB-CD2 4.2Å; L343-F348 HydrophobicContact CB-CE2 3.92Å; F346-F348 HydrophobicContact CB-CD2 4.48Å; F346-F348 HydrophobicContact CB-CE2 3.95Å; F348-L367 HydrophobicContact CB-CD1 4.23Å; F348-L367 HydrophobicContact CD1-CD1 3.93Å; F348-L367 HydrophobicContact CD1-CD2 4.09Å; F348-L367 HydrophobicContact CD1-CG 4.11Å; F348-L367 HydrophobicContact CE1-CD2 4.36Å; F348-Y368 CarbonylContact C-O 3.49Å; F348-Y368 WeakPolarHBondContact CA-O 3.44Å; F348-R369 HydrophobicContact CD1-CB 3.95Å; F348-R369 HydrophobicContact CD1-CG 4.12Å; F348-R369 HydrophobicContact CD2-CG 4.43Å; F348-R369 HydrophobicContact CE1-CB 3.69Å; F348-R369 HydrophobicContact CE1-CG 3.66Å; F348-R369 HydrophobicContact CE2-CG 3.96Å; F348-R369 HydrophobicContact CZ-CB 4.16Å; F348-R369 HydrophobicContact CZ-CG 3.57Å; F348-L399 HydrophobicContact CB-CD1 3.81Å; F348-L399 HydrophobicContact CD1-CD1 3.62Å; F348-L399 HydrophobicContact CD2-CD1 4.14Å; F348-L399 HydrophobicContact CD2-CD2 4.42Å; F348-L399 HydrophobicContact CE1-CD1 4.14Å; F348-L399 HydrophobicContact CG-CD1 3.59Å; F348-Y417 AromaticContact CE1-CE1 3.98Å; F348-Y417 HydrophobicContact CE1-CE1 3.98Å; F348-Y417 HydrophobicContact CZ-CE1 4.48Å
349	I	96.4	Very high	88.9	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.1	172.3	-69.2	176.1	0	0	0	108.7	V300 L331 H338 C339 V340 L367 Y368 W377	V300-I349 HydrophobicContact CG1-CD1 3.56Å; V300-I349 HydrophobicContact CG1-CG1 4.44Å; L331-I349 HydrophobicContact CD1-CD1 4.41Å; L331-I349 HydrophobicContact CD2-CD1 3.12Å; L331-I349 HydrophobicContact CG-CD1 4.37Å; H338-I349 HydrophobicContact CB-CG2 4.22Å; C339-I349 WeakPolarHBondContact O-CA 3.35Å; V340-I349 HydrophobicContact CG2-CG1 3.91Å; I349-L367 WeakPolarHBondContact O-CA 3.35Å; I349-Y368 PolarHBondContact N-O 2.95Å; I349-Y368 PolarHBondContact O-N 2.95Å; I349-W377 HydrophobicContact CB-CZ3 4.23Å; I349-W377 HydrophobicContact CD1-CH2 3.1Å; I349-W377 HydrophobicContact CD1-CZ2 3.81Å; I349-W377 HydrophobicContact CD1-CZ3 3.57Å; I349-W377 HydrophobicContact CG1-CH2 3.68Å; I349-W377 HydrophobicContact CG1-CZ3 3.83Å
350	A	96.9	Very high	87.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141	179.6	0	0	0	0	0	111.5	C339 L367 M383 F390 L392	C339-A350 PolarHBondContact N-O 3.1Å; C339-A350 PolarHBondContact O-N 2.75Å; A350-L367 HydrophobicContact CB-CD1 3.74Å; A350-M383 HydrophobicContact CB-CE 4.17Å; A350-M383 HydrophobicContact CB-SD 4.34Å; A350-F390 HydrophobicContact CB-CE2 4.26Å; A350-F390 HydrophobicContact CB-CZ 3.78Å; A350-F390 WeakPolarHBondContact O-CZ 3.22Å; A350-L392 HydrophobicContact CB-CD1 4.07Å; A350-L392 HydrophobicContact CB-CD2 3.68Å; A350-L392 HydrophobicContact CB-CG 4.44Å
351	G	95.4	Very high	86.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.199	C	C	.	.			trans	60.5	-140.1	168.1	0	0	0	0	0	114.5	S364 L366	G351-S364 VanDerWaalsContact CA-O 3.3Å; G351-S364 WeakPolarHBondContact CA-O 3.35Å; G351-L366 PolarHBondContact N-O 3.12Å
352	G	93.6	Very high	86.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.206	C	C	.	.			trans	90.2	-176.9	-174	0	0	0	0	0	113.2	S336 H337 S364 R387	S336-G352 CarbonylContact O-C 3.52Å; S336-G352 WeakPolarHBondContact O-CA 3.32Å; H337-G352 WeakPolarHBondContact O-CA 3.48Å; G352-S364 WeakPolarHBondContact O-CB 3.14Å; G352-S364 PolarHBondContact O-N 3.36Å; G352-R387 PolarHBondContact N-O 2.88Å
353	S	90.9	Very high	85.9	Confident	4 Å²	4	32.7 Å²	32.7	3%	0.028	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-112.1	142.9	176.2	-170.1	0	0	0	0	112.4	R335 S336 S355 D357 A362	R335-S353 WeakPolarHBondContact CA-O 3.45Å; R335-S353 WeakPolarHBondContact CB-O 3.4Å; S336-S353 PolarHBondContact N-O 3.06Å; S336-S353 VanDerWaalsContact N-O 3.16Å; S336-S353 PolarHBondContact O-N 2.96Å; S353-S355 WeakPolarHBondContact CB-O 3.49Å; S353-S355 PolarHBondContact OG-N 3.05Å; S353-S355 PolarHBondContact OG-O 3.25Å; S353-D357 PolarHBondContact OG-OD1 2.82Å; S353-A362 WeakPolarHBondContact CA-O 3.42Å; S353-A362 VanDerWaalsContact OG-CB 3.29Å; S353-A362 WeakPolarHBondContact OG-CB 3.48Å; S353-A362 PolarHBondContact OG-O 3.49Å
354	F	85.9	Confident	85.8	Confident	85 Å²	85	32 Å²	32	37%	0.373	19%	0.191	S	C	.	.	S	Bend	trans	-90.4	0.3	171.8	-62	-67.8	0	0	0	113.4	L311 A333 R334 A362 S364 L366	L311-F354 VanDerWaalsContact CD1-O 3.24Å; L311-F354 WeakPolarHBondContact CD1-O 3.44Å; A333-F354 HydrophobicContact CB-CE1 3.95Å; R334-F354 WeakPolarHBondContact O-CD1 3.45Å; F354-A362 PolarHBondContact N-O 2.85Å; F354-S364 WeakPolarHBondContact CE2-OG 3.05Å; F354-L366 HydrophobicContact CZ-CD1 4.12Å
355	S	81.4	Confident	86	Confident	50 Å²	50	32.7 Å²	32.7	35%	0.35	19%	0.189	S	C	.	.	S	Bend	trans	-139.1	163	177.9	-168.3	0	0	0	0	110.4	S353 D357	S353-S355 WeakPolarHBondContact CB-O 3.49Å; S353-S355 PolarHBondContact OG-N 3.05Å; S353-S355 PolarHBondContact OG-O 3.25Å; S355-D357 PolarHBondContact O-N 2.92Å; S355-D357 VanDerWaalsContact O-N 3.09Å
356	R	72.6	Confident	86.2	Confident	111 Å²	111	32.6 Å²	32.6	42%	0.419	18%	0.18	S	C	.	.			trans	-84.1	48.7	173.4	-162.9	-177.4	-179.9	173.6	8	110.7	E303 F561	E303-R356 HydrophobicContact CG-CG 4.46Å; E303-R356 WeakPolarHBondContact OE1-CD 3.49Å; E303-R356 WeakPolarHBondContact OE1-CG 3.23Å; E303-R356 IonicContact OE1-CZ 3.04Å; E303-R356 IonicContact OE1-NE 2.6Å; E303-R356 PolarHBondContact OE1-NE 3.49Å; E303-R356 IonicContact OE1-NH2 3.65Å; E303-R356 PolarHBondContact OE1-NH2 3.31Å; R356-F561 VanDerWaalsContact NH2-CZ 3.34Å
357	D	67.8	Low	86.3	Confident	32 Å²	32	32.6 Å²	32.6	17%	0.171	18%	0.18	C	C	.	.			trans	-99.5	129.1	-174.9	71.1	-45.5	0	0	0	111.8	S353 S355 G359 G360 D361 A362	S353-D357 PolarHBondContact OG-OD1 2.82Å; S355-D357 PolarHBondContact O-N 2.92Å; S355-D357 VanDerWaalsContact O-N 3.09Å; D357-G359 PolarHBondContact O-N 2.91Å; D357-G360 PolarHBondContact OD2-N 3.25Å; D357-D361 PolarHBondContact OD2-N 3.48Å; D357-A362 WeakPolarHBondContact OD1-CB 3.24Å; D357-A362 PolarHBondContact OD2-N 3.46Å
358	N	64.8	Low	86.3	Confident	151 Å²	151	34 Å²	34	81%	0.807	19%	0.186	S	C	*	.	S	Bend	trans	-77.3	-8.3	175.5	-66.1	-18	0	0	0	112.2	R405	N358-R405 PolarHBondContact O-NH1 2.91Å
359	G	63.8	Low	86.3	Confident	44 Å²	44	34.3 Å²	34.3	45%	0.454	19%	0.187	S	C	.	.	S	Bend	trans	-82.1	-30.8	-176.5	0	0	0	0	0	114.7	D357 R405	D357-G359 PolarHBondContact O-N 2.91Å; G359-R405 PolarHBondContact O-NH1 2.91Å
360	G	69.5	Low	86.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.01	19%	0.187	C	C	.	.	S	Bend	trans	86	11.2	-175.2	0	0	0	0	0	113.1	D357 A362 A363 R405 N406 E407	D357-G360 PolarHBondContact OD2-N 3.25Å; G360-A362 VanDerWaalsContact C-N 3.28Å; G360-A362 PolarHBondContact O-N 3.02Å; G360-A363 WeakPolarHBondContact O-CB 3.31Å; G360-A363 PolarHBondContact O-N 3.22Å; G360-R405 VanDerWaalsContact N-NH1 3.11Å; G360-N406 CarbonylContact O-C 3.42Å; G360-E407 PolarHBondContact O-N 2.85Å; G360-E407 VanDerWaalsContact O-N 3.08Å
361	D	76.1	Confident	86	Confident	110 Å²	110	35 Å²	35	59%	0.588	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-32	177.3	-64	-26.9	0	0	0	110.8	D357 A363	D357-D361 PolarHBondContact OD2-N 3.48Å; D361-A363 VanDerWaalsContact C-N 3.27Å; D361-A363 PolarHBondContact O-N 3.43Å
362	A	86.5	Confident	85.7	Confident	23 Å²	23	35.2 Å²	35.2	19%	0.19	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	16.1	175.4	0	0	0	0	0	113.8	S353 F354 D357 G360	S353-A362 WeakPolarHBondContact CA-O 3.42Å; S353-A362 VanDerWaalsContact OG-CB 3.29Å; S353-A362 WeakPolarHBondContact OG-CB 3.48Å; S353-A362 PolarHBondContact OG-O 3.49Å; F354-A362 PolarHBondContact N-O 2.85Å; D357-A362 WeakPolarHBondContact OD1-CB 3.24Å; D357-A362 PolarHBondContact OD2-N 3.46Å; G360-A362 VanDerWaalsContact C-N 3.28Å; G360-A362 PolarHBondContact O-N 3.02Å
363	A	92.2	Very high	85.2	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.008	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-62.4	141	175.9	0	0	0	0	0	112.5	G360 D361 R386 V388 N406	G360-A363 WeakPolarHBondContact O-CB 3.31Å; G360-A363 PolarHBondContact O-N 3.22Å; D361-A363 VanDerWaalsContact C-N 3.27Å; D361-A363 PolarHBondContact O-N 3.43Å; A363-R386 HydrophobicContact CB-CB 3.96Å; A363-R386 WeakPolarHBondContact O-CD 3.18Å; A363-R386 PolarHBondContact O-NH1 3.39Å; A363-R386 VanDerWaalsContact O-NH1 3.11Å; A363-V388 HydrophobicContact CB-CB 4.39Å; A363-V388 HydrophobicContact CB-CG1 4.3Å; A363-N406 HydrophobicContact CB-CB 4.07Å
364	S	94.6	Very high	84.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-109.8	149.5	-177.6	-175	0	0	0	0	111.6	G351 G352 F354 L366 R386 R387	G351-S364 VanDerWaalsContact CA-O 3.3Å; G351-S364 WeakPolarHBondContact CA-O 3.35Å; G352-S364 WeakPolarHBondContact O-CB 3.14Å; G352-S364 PolarHBondContact O-N 3.36Å; F354-S364 WeakPolarHBondContact CE2-OG 3.05Å; S364-L366 WeakPolarHBondContact OG-CG 3.36Å; S364-L366 PolarHBondContact OG-N 3.16Å; S364-L366 VanDerWaalsContact OG-N 3.17Å; S364-R386 WeakPolarHBondContact O-CA 3.38Å; S364-R387 PolarHBondContact O-N 3.08Å
365	N	96.2	Very high	85	Confident	39 Å²	39	40.1 Å²	40.1	21%	0.209	22%	0.219	C	C	.	.			trans	-109.3	4.1	167.8	70.1	-27.7	0	0	0	112.5	S382 M383 Q385 R386	N365-S382 CarbonylContact O-C 3.58Å; N365-S382 VanDerWaalsContact O-CA 3.31Å; N365-S382 WeakPolarHBondContact O-CA 3.1Å; N365-S382 VanDerWaalsContact O-CB 3.3Å; N365-S382 WeakPolarHBondContact O-CB 3.36Å; N365-M383 HydrophobicContact CB-CB 4.12Å; N365-M383 WeakPolarHBondContact CB-O 3.34Å; N365-M383 PolarHBondContact ND2-O 2.88Å; N365-M383 PolarHBondContact O-N 3.29Å; N365-Q385 WeakPolarHBondContact CB-O 3.19Å; N365-R386 HydrophobicContact CB-CB 4.49Å; N365-R386 HydrophobicContact CB-CG 4Å
366	L	96.7	Very high	85.5	Confident	29 Å²	29	43.5 Å²	43.5	15%	0.152	23%	0.229	C	C	.	.			trans	-70.3	139.2	-173.8	-57.9	-176.4	0	0	0	111.2	G351 F354 S364 Y368	G351-L366 PolarHBondContact N-O 3.12Å; F354-L366 HydrophobicContact CZ-CD1 4.12Å; S364-L366 WeakPolarHBondContact OG-CG 3.36Å; S364-L366 PolarHBondContact OG-N 3.16Å; S364-L366 VanDerWaalsContact OG-N 3.17Å; L366-Y368 HydrophobicContact CB-CD2 4.28Å; L366-Y368 HydrophobicContact CB-CE2 3.7Å; L366-Y368 HydrophobicContact CD1-CE2 3.94Å; L366-Y368 HydrophobicContact CG-CE2 4.48Å
367	L	97.3	Very high	86.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126	170.5	-177.8	67.3	0	0	0	108.8	F348 I349 A350 V380 A381 L399 Y417 W424	F348-L367 HydrophobicContact CB-CD1 4.23Å; F348-L367 HydrophobicContact CD1-CD1 3.93Å; F348-L367 HydrophobicContact CD1-CD2 4.09Å; F348-L367 HydrophobicContact CD1-CG 4.11Å; F348-L367 HydrophobicContact CE1-CD2 4.36Å; I349-L367 WeakPolarHBondContact O-CA 3.35Å; A350-L367 HydrophobicContact CB-CD1 3.74Å; L367-V380 HydrophobicContact CB-CG2 3.81Å; L367-V380 HydrophobicContact CD2-CG2 3.34Å; L367-V380 HydrophobicContact CG-CG2 3.4Å; L367-V380 PolarHBondContact O-N 3.44Å; L367-V380 VanDerWaalsContact O-N 3.11Å; L367-A381 WeakPolarHBondContact CB-O 2.99Å; L367-L399 HydrophobicContact CD1-CD1 4.26Å; L367-L399 HydrophobicContact CD2-CD1 4.3Å; L367-Y417 HydrophobicContact CD2-CD1 3.8Å; L367-Y417 HydrophobicContact CD2-CD2 3.95Å; L367-Y417 HydrophobicContact CD2-CE1 3.86Å; L367-Y417 HydrophobicContact CD2-CE2 4Å; L367-Y417 HydrophobicContact CD2-CG 3.84Å; L367-W424 HydrophobicContact CB-CZ2 4.45Å; L367-W424 HydrophobicContact CD1-CZ2 4.34Å; L367-W424 HydrophobicContact CD2-CZ2 3.76Å; L367-W424 HydrophobicContact CG-CZ2 4.41Å
368	Y	96.8	Very high	87.8	Confident	33 Å²	33	40.5 Å²	40.5	13%	0.129	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.4	172.8	-67.5	-91.1	0	0	0	109.7	P332 R335 F348 I349 L366 I378 K379	P332-Y368 HydrophobicContact CB-CD1 4.27Å; P332-Y368 HydrophobicContact CB-CE1 3.86Å; P332-Y368 HydrophobicContact CG-CD1 3.78Å; P332-Y368 HydrophobicContact CG-CE1 3.9Å; P332-Y368 HydrophobicContact CG-CG 4.38Å; R335-Y368 VanDerWaalsContact NH1-CD2 3.3Å; F348-Y368 CarbonylContact C-O 3.49Å; F348-Y368 WeakPolarHBondContact CA-O 3.44Å; I349-Y368 PolarHBondContact N-O 2.95Å; I349-Y368 PolarHBondContact O-N 2.95Å; L366-Y368 HydrophobicContact CB-CD2 4.28Å; L366-Y368 HydrophobicContact CB-CE2 3.7Å; L366-Y368 HydrophobicContact CD1-CE2 3.94Å; L366-Y368 HydrophobicContact CG-CE2 4.48Å; Y368-I378 CarbonylContact C-O 3.59Å; Y368-I378 WeakPolarHBondContact CA-O 3.41Å; Y368-K379 HydrophobicContact CD1-CB 4.13Å; Y368-K379 HydrophobicContact CE1-CB 3.94Å; Y368-K379 HydrophobicContact CE1-CG 4.45Å
369	R	96.4	Very high	89.3	Confident	5 Å²	5	39.2 Å²	39.2	2%	0.019	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.5	174.6	-174.6	-169.4	71.2	130.6	0.5	109.2	L277 Q280 F346 I347 F348 W377 I378 V380	L277-R369 PolarHBondContact O-NH1 2.88Å; L277-R369 VanDerWaalsContact O-NH1 3.14Å; L277-R369 PolarHBondContact O-NH2 3.07Å; L277-R369 VanDerWaalsContact O-NH2 3.13Å; Q280-R369 VanDerWaalsContact OE1-CZ 3.31Å; F346-R369 HydrophobicContact CB-CG 3.88Å; F346-R369 HydrophobicContact CD1-CG 4.26Å; F346-R369 HydrophobicContact CG-CG 4.3Å; I347-R369 CarbonylContact O-C 3.53Å; I347-R369 WeakPolarHBondContact O-CA 3.48Å; F348-R369 HydrophobicContact CD1-CB 3.95Å; F348-R369 HydrophobicContact CD1-CG 4.12Å; F348-R369 HydrophobicContact CD2-CG 4.43Å; F348-R369 HydrophobicContact CE1-CB 3.69Å; F348-R369 HydrophobicContact CE1-CG 3.66Å; F348-R369 HydrophobicContact CE2-CG 3.96Å; F348-R369 HydrophobicContact CZ-CB 4.16Å; F348-R369 HydrophobicContact CZ-CG 3.57Å; R369-W377 CarbonylContact O-C 3.54Å; R369-W377 WeakPolarHBondContact O-CA 3.26Å; R369-I378 HydrophobicContact CB-CG1 4.09Å; R369-I378 PolarHBondContact N-O 2.98Å; R369-I378 VanDerWaalsContact NH2-CD1 3.29Å; R369-I378 PolarHBondContact O-N 3.01Å; R369-V380 HydrophobicContact CB-CG1 4.38Å
370	Y	95.4	Very high	90.9	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.6	172.1	-178.1	-116.1	0	0	0	110.5	E328 T329 I347 P372 Q376 W377	E328-Y370 WeakPolarHBondContact CG-OH 3.37Å; E328-Y370 PolarHBondContact OE1-OH 2.72Å; T329-Y370 HydrophobicContact CG2-CE2 4.09Å; T329-Y370 PolarHBondContact OG1-OH 3.06Å; I347-Y370 HydrophobicContact CB-CD1 4.43Å; I347-Y370 HydrophobicContact CD1-CD1 4.01Å; I347-Y370 HydrophobicContact CG1-CD1 4.36Å; I347-Y370 PolarHBondContact N-O 3.21Å; I347-Y370 PolarHBondContact O-N 3.34Å; Y370-P372 HydrophobicContact CD1-CB 4.42Å; Y370-P372 HydrophobicContact CE1-CB 3.98Å; Y370-Q376 WeakPolarHBondContact CA-O 3.44Å; Y370-Q376 WeakPolarHBondContact CD2-O 3.32Å; Y370-W377 VanDerWaalsContact CB-CH2 3.42Å; Y370-W377 VanDerWaalsContact CB-CZ3 3.42Å; Y370-W377 AromaticContact CD2-CD1 3.83Å; Y370-W377 AromaticContact CD2-CD2 3.83Å; Y370-W377 HydrophobicContact CD2-CD2 3.83Å; Y370-W377 AromaticContact CD2-CE2 3.55Å; Y370-W377 AromaticContact CD2-CG 3.99Å; Y370-W377 HydrophobicContact CD2-CG 3.99Å; Y370-W377 HydrophobicContact CD2-CZ2 4Å; Y370-W377 AromaticContact CD2-NE1 3.57Å; Y370-W377 HydrophobicContact CG-CD2 4.19Å; Y370-W377 AromaticContact CG-CE2 3.89Å; Y370-W377 HydrophobicContact CG-CE3 4.49Å; Y370-W377 HydrophobicContact CG-CH2 4.17Å; Y370-W377 AromaticContact CG-CZ2 3.89Å; Y370-W377 HydrophobicContact CG-CZ2 3.89Å; Y370-W377 HydrophobicContact CG-CZ3 4.5Å
371	D	92.4	Very high	92.2	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.08	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	110.3	167.7	-172.5	-5.7	0	0	0	109.8	F346 R373 K375 Q376	F346-D371 HydrophobicContact CD1-CB 3.91Å; F346-D371 HydrophobicContact CE1-CB 3.74Å; F346-D371 VanDerWaalsContact CE1-CG 3.41Å; D371-R373 PolarHBondContact O-N 3.21Å; D371-R373 WeakPolarHBondContact OD1-CB 3.3Å; D371-R373 WeakPolarHBondContact OD1-CD 3.41Å; D371-R373 VanDerWaalsContact OD1-CG 3.22Å; D371-R373 WeakPolarHBondContact OD1-CG 3.46Å; D371-R373 IonicContact OD1-CZ 2.76Å; D371-R373 PolarHBondContact OD1-N 3.3Å; D371-R373 IonicContact OD1-NE 2.64Å; D371-R373 PolarHBondContact OD1-NE 3.03Å; D371-R373 IonicContact OD2-NE 2.82Å; D371-K375 WeakPolarHBondContact O-CA 3.3Å; D371-K375 PolarHBondContact O-N 2.88Å; D371-Q376 PolarHBondContact N-O 2.86Å; D371-Q376 PolarHBondContact O-N 3.12Å
372	P	89.1	Confident	93.3	Very high	4 Å²	4	35 Å²	35	3%	0.026	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.5	178.3	27.8	-34.6	0	0	0	113.2	L290 G345 Y370 L595	L290-P372 HydrophobicContact CD1-CB 4.47Å; L290-P372 HydrophobicContact CD1-CG 4.32Å; G345-P372 WeakPolarHBondContact O-CD 3.4Å; G345-P372 VanDerWaalsContact O-CG 3.31Å; G345-P372 WeakPolarHBondContact O-CG 3.4Å; Y370-P372 HydrophobicContact CD1-CB 4.42Å; Y370-P372 HydrophobicContact CE1-CB 3.98Å; P372-L595 HydrophobicContact CB-CD2 3.56Å
373	R	83.6	Confident	93.8	Very high	34 Å²	34	34 Å²	34	13%	0.128	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-44.7	-179.1	-56.4	153.5	-122.8	-133.2	-10.2	111.8	L239 Y273 T288 L290 G344 D371	L239-R373 HydrophobicContact CD2-CB 4.4Å; L239-R373 VanDerWaalsContact CD2-CD 3.48Å; L239-R373 HydrophobicContact CD2-CG 3.82Å; Y273-R373 PolarHBondContact OH-NH1 3.15Å; T288-R373 PolarHBondContact O-NH1 2.84Å; L290-R373 HydrophobicContact CD1-CG 4.34Å; L290-R373 HydrophobicContact CD2-CB 4.17Å; L290-R373 HydrophobicContact CD2-CG 3.56Å; L290-R373 HydrophobicContact CG-CG 3.84Å; G344-R373 PolarHBondContact O-NH2 2.74Å; D371-R373 PolarHBondContact O-N 3.21Å; D371-R373 WeakPolarHBondContact OD1-CB 3.3Å; D371-R373 WeakPolarHBondContact OD1-CD 3.41Å; D371-R373 VanDerWaalsContact OD1-CG 3.22Å; D371-R373 WeakPolarHBondContact OD1-CG 3.46Å; D371-R373 IonicContact OD1-CZ 2.76Å; D371-R373 PolarHBondContact OD1-N 3.3Å; D371-R373 IonicContact OD1-NE 2.64Å; D371-R373 PolarHBondContact OD1-NE 3.03Å; D371-R373 IonicContact OD2-NE 2.82Å
374	C	83.1	Confident	94.1	Very high	63 Å²	63	38.2 Å²	38.2	43%	0.426	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	0.2	-179.4	65.5	0	0	0	0	113.2	Q376	C374-Q376 VanDerWaalsContact C-N 3.27Å; C374-Q376 WeakPolarHBondContact O-CG 3.47Å; C374-Q376 PolarHBondContact O-N 2.83Å
375	K	89.3	Confident	94.1	Very high	95 Å²	95	40.8 Å²	40.8	41%	0.413	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	36.8	179.9	-58.7	-170.6	174.3	-131.4	0	113.4	E328 T329 D371	E328-K375 IonicContact OE1-NZ 3.43Å; E328-K375 PolarHBondContact OE1-NZ 3.05Å; E328-K375 IonicContact OE2-NZ 3.09Å; T329-K375 WeakPolarHBondContact CG2-O 3.29Å; T329-K375 PolarHBondContact OG1-O 2.91Å; T329-K375 VanDerWaalsContact OG1-O 3.07Å; D371-K375 WeakPolarHBondContact O-CA 3.3Å; D371-K375 PolarHBondContact O-N 2.88Å
376	Q	91.1	Very high	94.1	Very high	120 Å²	120	44.4 Å²	44.4	56%	0.561	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.1	-176.1	-70.9	177.4	0.1	0	0	112.5	Y370 D371 C374	Y370-Q376 WeakPolarHBondContact CA-O 3.44Å; Y370-Q376 WeakPolarHBondContact CD2-O 3.32Å; D371-Q376 PolarHBondContact N-O 2.86Å; D371-Q376 PolarHBondContact O-N 3.12Å; C374-Q376 VanDerWaalsContact C-N 3.27Å; C374-Q376 WeakPolarHBondContact O-CG 3.47Å; C374-Q376 PolarHBondContact O-N 2.83Å
377	W	94.2	Very high	94.1	Very high	36 Å²	36	43 Å²	43	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.8	167.6	-69.9	98.1	0	0	0	109.9	P330 L331 P332 I347 I349 R369 Y370	P330-W377 PolarHBondContact O-NE1 2.71Å; L331-W377 HydrophobicContact CD2-CH2 4.13Å; L331-W377 HydrophobicContact CD2-CZ2 3.69Å; P332-W377 HydrophobicContact CG-CB 3.5Å; P332-W377 HydrophobicContact CG-CD2 4.32Å; P332-W377 HydrophobicContact CG-CG 3.73Å; I347-W377 HydrophobicContact CG2-CH2 4.45Å; I349-W377 HydrophobicContact CB-CZ3 4.23Å; I349-W377 HydrophobicContact CD1-CH2 3.1Å; I349-W377 HydrophobicContact CD1-CZ2 3.81Å; I349-W377 HydrophobicContact CD1-CZ3 3.57Å; I349-W377 HydrophobicContact CG1-CH2 3.68Å; I349-W377 HydrophobicContact CG1-CZ3 3.83Å; R369-W377 CarbonylContact O-C 3.54Å; R369-W377 WeakPolarHBondContact O-CA 3.26Å; Y370-W377 VanDerWaalsContact CB-CH2 3.42Å; Y370-W377 VanDerWaalsContact CB-CZ3 3.42Å; Y370-W377 AromaticContact CD2-CD1 3.83Å; Y370-W377 AromaticContact CD2-CD2 3.83Å; Y370-W377 HydrophobicContact CD2-CD2 3.83Å; Y370-W377 AromaticContact CD2-CE2 3.55Å; Y370-W377 AromaticContact CD2-CG 3.99Å; Y370-W377 HydrophobicContact CD2-CG 3.99Å; Y370-W377 HydrophobicContact CD2-CZ2 4Å; Y370-W377 AromaticContact CD2-NE1 3.57Å; Y370-W377 HydrophobicContact CG-CD2 4.19Å; Y370-W377 AromaticContact CG-CE2 3.89Å; Y370-W377 HydrophobicContact CG-CE3 4.49Å; Y370-W377 HydrophobicContact CG-CH2 4.17Å; Y370-W377 AromaticContact CG-CZ2 3.89Å; Y370-W377 HydrophobicContact CG-CZ2 3.89Å; Y370-W377 HydrophobicContact CG-CZ3 4.5Å
378	I	94.9	Very high	93.9	Very high	44 Å²	44	43.1 Å²	43.1	23%	0.226	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147	168	66.5	166.1	0	0	0	110.1	L277 Y368 R369 V380	L277-I378 HydrophobicContact CB-CD1 4.03Å; Y368-I378 CarbonylContact C-O 3.59Å; Y368-I378 WeakPolarHBondContact CA-O 3.41Å; R369-I378 HydrophobicContact CB-CG1 4.09Å; R369-I378 PolarHBondContact N-O 2.98Å; R369-I378 VanDerWaalsContact NH2-CD1 3.29Å; R369-I378 PolarHBondContact O-N 3.01Å; I378-V380 HydrophobicContact CD1-CG1 4.09Å; I378-V380 HydrophobicContact CG1-CG1 4.24Å
379	K	96.4	Very high	93.8	Very high	125 Å²	125	42.1 Å²	42.1	54%	0.543	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.5	169.1	-179.7	176.8	170.5	176.1	0	108.6	Y368	Y368-K379 HydrophobicContact CD1-CB 4.13Å; Y368-K379 HydrophobicContact CE1-CB 3.94Å; Y368-K379 HydrophobicContact CE1-CG 4.45Å
380	V	97.2	Very high	93.8	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-174.6	173.4	-65.1	0	0	0	0	109.4	L367 R369 I378 S382	L367-V380 HydrophobicContact CB-CG2 3.81Å; L367-V380 HydrophobicContact CD2-CG2 3.34Å; L367-V380 HydrophobicContact CG-CG2 3.4Å; L367-V380 PolarHBondContact O-N 3.44Å; L367-V380 VanDerWaalsContact O-N 3.11Å; R369-V380 HydrophobicContact CB-CG1 4.38Å; I378-V380 HydrophobicContact CD1-CG1 4.09Å; I378-V380 HydrophobicContact CG1-CG1 4.24Å; V380-S382 PolarHBondContact O-N 3.24Å
381	A	97.7	Very high	93.9	Very high	24 Å²	24	44 Å²	44	20%	0.198	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-55.5	134.3	-178.6	0	0	0	0	0	112.2	L367 Y417 D422 W424	L367-A381 WeakPolarHBondContact CB-O 2.99Å; A381-Y417 HydrophobicContact CB-CE2 4.18Å; A381-D422 WeakPolarHBondContact CB-O 3.14Å; A381-D422 WeakPolarHBondContact CB-OD1 3.46Å; A381-D422 PolarHBondContact N-OD1 3.24Å; A381-W424 PolarHBondContact O-NE1 3.1Å
382	S	97.8	Very high	94.2	Very high	34 Å²	34	43.6 Å²	43.6	24%	0.238	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-83.4	148.5	-178.3	-54.8	0	0	0	0	110.2	N365 V380	N365-S382 CarbonylContact O-C 3.58Å; N365-S382 VanDerWaalsContact O-CA 3.31Å; N365-S382 WeakPolarHBondContact O-CA 3.1Å; N365-S382 VanDerWaalsContact O-CB 3.3Å; N365-S382 WeakPolarHBondContact O-CB 3.36Å; V380-S382 PolarHBondContact O-N 3.24Å
383	M	98.1	Very high	94.5	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-56	152.3	175.5	-68.3	178	-65.3	0	0	110.7	A350 N365 Q385 R387 F390 A401 W424	A350-M383 HydrophobicContact CB-CE 4.17Å; A350-M383 HydrophobicContact CB-SD 4.34Å; N365-M383 HydrophobicContact CB-CB 4.12Å; N365-M383 WeakPolarHBondContact CB-O 3.34Å; N365-M383 PolarHBondContact ND2-O 2.88Å; N365-M383 PolarHBondContact O-N 3.29Å; M383-Q385 VanDerWaalsContact CB-O 3.3Å; M383-Q385 WeakPolarHBondContact CB-O 3.26Å; M383-Q385 PolarHBondContact O-N 3.12Å; M383-R387 HydrophobicContact CE-CB 4.22Å; M383-R387 HydrophobicContact CE-CG 4.37Å; M383-R387 HydrophobicContact SD-CG 4.47Å; M383-F390 HydrophobicContact CE-CZ 4.11Å; M383-F390 HydrophobicContact SD-CE2 4.26Å; M383-F390 HydrophobicContact SD-CZ 4.42Å; M383-A401 HydrophobicContact SD-CB 3.87Å; M383-W424 HydrophobicContact CB-CD2 4.33Å; M383-W424 HydrophobicContact CB-CZ2 4.49Å; M383-W424 HydrophobicContact CG-CD2 3.75Å; M383-W424 HydrophobicContact CG-CE3 4Å; M383-W424 HydrophobicContact CG-CG 4.49Å; M383-W424 HydrophobicContact CG-CH2 3.53Å; M383-W424 HydrophobicContact CG-CZ2 3.23Å; M383-W424 HydrophobicContact CG-CZ3 3.92Å; M383-W424 HydrophobicContact SD-CH2 3.89Å; M383-W424 HydrophobicContact SD-CZ2 4.07Å; M383-W424 HydrophobicContact SD-CZ3 4.37Å
384	N	97.6	Very high	95.1	Very high	88 Å²	88	43.9 Å²	43.9	47%	0.471	22%	0.218	S	C	.	.	S	Bend	trans	-69.2	-29.4	176.3	-58.5	-77.5	0	0	0	111	E415 W424 Y426	N384-E415 WeakPolarHBondContact CA-OE2 3.19Å; N384-E415 WeakPolarHBondContact CB-OE2 3.45Å; N384-E415 VanDerWaalsContact CG-OE2 3.29Å; N384-E415 PolarHBondContact N-OE2 2.92Å; N384-E415 PolarHBondContact ND2-OE2 3.04Å; N384-W424 WeakPolarHBondContact ND2-CB 3.12Å; N384-W424 PolarHBondContact ND2-O 3.26Å; N384-Y426 HydrophobicContact CB-CE2 4.04Å; N384-Y426 VanDerWaalsContact CB-OH 3.27Å; N384-Y426 WeakPolarHBondContact CB-OH 3.45Å
385	Q	95.8	Very high	95.7	Very high	55 Å²	55	41.1 Å²	41.1	26%	0.257	20%	0.199	S	C	.	.	S	Bend	trans	-114.6	146.2	173.3	-62.6	-167.5	-34.4	0	0	113	N365 M383 L411 S413 E415 Y426	N365-Q385 WeakPolarHBondContact CB-O 3.19Å; M383-Q385 VanDerWaalsContact CB-O 3.3Å; M383-Q385 WeakPolarHBondContact CB-O 3.26Å; M383-Q385 PolarHBondContact O-N 3.12Å; Q385-L411 HydrophobicContact CB-CD1 4.46Å; Q385-S413 PolarHBondContact OE1-OG 3.09Å; Q385-E415 PolarHBondContact N-OE1 2.97Å; Q385-Y426 HydrophobicContact CG-CE1 4.5Å; Q385-Y426 WeakPolarHBondContact CG-OH 3.31Å
386	R	95.9	Very high	95.8	Very high	115 Å²	115	41.2 Å²	41.2	43%	0.434	20%	0.201	S	C	.	.			trans	-70.6	137.6	167.5	-64.8	168.1	-176.1	-94.6	2.8	108.9	A363 S364 N365 N406	A363-R386 HydrophobicContact CB-CB 3.96Å; A363-R386 WeakPolarHBondContact O-CD 3.18Å; A363-R386 PolarHBondContact O-NH1 3.39Å; A363-R386 VanDerWaalsContact O-NH1 3.11Å; S364-R386 WeakPolarHBondContact O-CA 3.38Å; N365-R386 HydrophobicContact CB-CB 4.49Å; N365-R386 HydrophobicContact CB-CG 4Å; R386-N406 HydrophobicContact CB-CB 4.12Å; R386-N406 WeakPolarHBondContact O-CB 3.31Å; R386-N406 PolarHBondContact O-ND2 3.13Å; R386-N406 VanDerWaalsContact O-ND2 3.12Å
387	R	95.4	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-141.7	133.2	-176.1	-58.4	-178.9	-175	-94.2	-3	111.6	G352 S364 M383 F390 G403 L411 S413 E415	G352-R387 PolarHBondContact N-O 2.88Å; S364-R387 PolarHBondContact O-N 3.08Å; M383-R387 HydrophobicContact CE-CB 4.22Å; M383-R387 HydrophobicContact CE-CG 4.37Å; M383-R387 HydrophobicContact SD-CG 4.47Å; R387-F390 HydrophobicContact CB-CB 4.15Å; R387-F390 HydrophobicContact CB-CD1 3.5Å; R387-F390 VanDerWaalsContact CB-CD1 3.5Å; R387-F390 HydrophobicContact CB-CD2 4.23Å; R387-F390 HydrophobicContact CB-CE1 3.83Å; R387-F390 HydrophobicContact CB-CG 3.72Å; R387-F390 HydrophobicContact CB-CZ 4.31Å; R387-G403 PolarHBondContact NH1-O 3.32Å; R387-L411 HydrophobicContact CG-CD1 3.96Å; R387-S413 PolarHBondContact NH1-O 3.48Å; R387-S413 PolarHBondContact NH1-OG 3.09Å; R387-S413 PolarHBondContact NH2-O 3.05Å; R387-S413 PolarHBondContact NH2-OG 2.81Å; R387-E415 IonicContact CZ-OE1 3.39Å; R387-E415 IonicContact NE-OE1 3.81Å; R387-E415 PolarHBondContact NE-OE1 3.29Å; R387-E415 IonicContact NH2-OE1 3.9Å; R387-E415 PolarHBondContact NH2-OE1 2.86Å
388	V	94.5	Very high	96	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-130.6	156.4	162.4	69	0	0	0	0	108.3	H337 A363 F390 G404 R405	H337-V388 HydrophobicContact CB-CG2 3.32Å; A363-V388 HydrophobicContact CB-CB 4.39Å; A363-V388 HydrophobicContact CB-CG1 4.3Å; V388-F390 PolarHBondContact O-N 3.46Å; V388-G404 CarbonylContact O-C 3.57Å; V388-G404 VanDerWaalsContact O-CA 3.3Å; V388-G404 WeakPolarHBondContact O-CA 3.13Å; V388-R405 HydrophobicContact CG1-CG 3.51Å; V388-R405 PolarHBondContact N-O 2.84Å; V388-R405 PolarHBondContact O-N 2.64Å
389	D	94.1	Very high	96.2	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.064	19%	0.188	C	C	.	.	S	Bend	trans	56	37.5	-180	-56.4	-50.2	0	0	0	113.6	H337 G404 R405 Y435 G436 W485	H337-D389 IonicContact CD2-OD1 3.22Å; H337-D389 PolarHBondContact CD2-OD1 3.28Å; H337-D389 IonicContact CG-OD1 3.7Å; H337-D389 IonicContact NE2-OD1 2.76Å; D389-G404 WeakPolarHBondContact O-CA 3.35Å; D389-R405 IonicContact OD2-CZ 3.31Å; D389-R405 IonicContact OD2-NE 3.26Å; D389-R405 PolarHBondContact OD2-NE 2.92Å; D389-R405 IonicContact OD2-NH2 3.22Å; D389-R405 PolarHBondContact OD2-NH2 2.82Å; D389-R405 VanDerWaalsContact OD2-NH2 3.11Å; D389-Y435 HydrophobicContact CB-CD2 4.09Å; D389-G436 PolarHBondContact O-N 3.07Å; D389-W485 PolarHBondContact OD1-NE1 2.92Å
390	F	96.6	Very high	96.3	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.048	16%	0.162	C	C	.	.			trans	-108.5	179.9	-178.4	72.8	-75.6	0	0	0	110.8	C339 A350 M383 R387 V388 L392 A401 V402 G403	C339-F390 HydrophobicContact CB-CE1 4.44Å; C339-F390 HydrophobicContact CB-CE2 4.24Å; C339-F390 HydrophobicContact CB-CZ 4.04Å; C339-F390 PolarHBondContact SG-O 3.22Å; A350-F390 HydrophobicContact CB-CE2 4.26Å; A350-F390 HydrophobicContact CB-CZ 3.78Å; A350-F390 WeakPolarHBondContact O-CZ 3.22Å; M383-F390 HydrophobicContact CE-CZ 4.11Å; M383-F390 HydrophobicContact SD-CE2 4.26Å; M383-F390 HydrophobicContact SD-CZ 4.42Å; R387-F390 HydrophobicContact CB-CB 4.15Å; R387-F390 HydrophobicContact CB-CD1 3.5Å; R387-F390 VanDerWaalsContact CB-CD1 3.5Å; R387-F390 HydrophobicContact CB-CD2 4.23Å; R387-F390 HydrophobicContact CB-CE1 3.83Å; R387-F390 HydrophobicContact CB-CG 3.72Å; R387-F390 HydrophobicContact CB-CZ 4.31Å; V388-F390 PolarHBondContact O-N 3.46Å; F390-L392 HydrophobicContact CE2-CB 4.02Å; F390-L392 HydrophobicContact CE2-CD1 4.3Å; F390-A401 HydrophobicContact CD2-CB 4.15Å; F390-A401 HydrophobicContact CE2-CB 4.01Å; F390-V402 WeakPolarHBondContact CB-O 3.28Å; F390-G403 WeakPolarHBondContact CB-O 3.25Å
391	Y	97.7	Very high	96.3	Very high	37 Å²	37	31.4 Å²	31.4	15%	0.145	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.4	171.3	178.8	-108.8	0	0	0	111.5	A393 A401 V402 H437 G439 T440 V446 I448	Y391-A393 HydrophobicContact CE1-CB 3.58Å; Y391-A393 WeakPolarHBondContact OH-CB 3.2Å; Y391-A401 CarbonylContact O-C 3.6Å; Y391-A401 WeakPolarHBondContact O-CA 3.32Å; Y391-V402 HydrophobicContact CD1-CG2 4.38Å; Y391-V402 PolarHBondContact N-O 3Å; Y391-V402 VanDerWaalsContact N-O 3.12Å; Y391-V402 PolarHBondContact O-N 3.16Å; Y391-H437 WeakPolarHBondContact CB-NE2 3.38Å; Y391-G439 WeakPolarHBondContact CE2-O 3.5Å; Y391-G439 PolarHBondContact OH-O 3.41Å; Y391-T440 WeakPolarHBondContact OH-CA 3.36Å; Y391-T440 PolarHBondContact OH-N 3.14Å; Y391-V446 HydrophobicContact CD1-CG1 4.12Å; Y391-V446 HydrophobicContact CE1-CG1 3.74Å; Y391-I448 HydrophobicContact CD1-CD1 3.32Å; Y391-I448 HydrophobicContact CE1-CD1 4.03Å; Y391-I448 HydrophobicContact CG-CD1 3.66Å
392	L	98.1	Very high	96.4	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.1	173	-172.6	78.5	0	0	0	109.9	C339 A341 A350 F390 L399 V400 A401 W424	C339-L392 HydrophobicContact CB-CB 3.31Å; C339-L392 HydrophobicContact CB-CD2 4.2Å; C339-L392 HydrophobicContact CB-CG 4.4Å; A341-L392 HydrophobicContact CB-CD2 3.67Å; A341-L392 HydrophobicContact CB-CG 3.92Å; A350-L392 HydrophobicContact CB-CD1 4.07Å; A350-L392 HydrophobicContact CB-CD2 3.68Å; A350-L392 HydrophobicContact CB-CG 4.44Å; F390-L392 HydrophobicContact CE2-CB 4.02Å; F390-L392 HydrophobicContact CE2-CD1 4.3Å; L392-L399 HydrophobicContact CD1-CB 4.27Å; L392-V400 VanDerWaalsContact CA-O 3.31Å; L392-V400 WeakPolarHBondContact CA-O 3.4Å; L392-A401 HydrophobicContact CD1-CB 4.03Å; L392-W424 HydrophobicContact CD1-CH2 4.19Å
393	A	96.4	Very high	96.3	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.041	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	163.6	171.3	0	0	0	0	0	112.4	Y391 L399 V400 I441	Y391-A393 HydrophobicContact CE1-CB 3.58Å; Y391-A393 WeakPolarHBondContact OH-CB 3.2Å; A393-L399 CarbonylContact O-C 3.52Å; A393-L399 WeakPolarHBondContact O-CA 3.37Å; A393-V400 HydrophobicContact CB-CG1 3.96Å; A393-V400 PolarHBondContact N-O 3.06Å; A393-V400 PolarHBondContact O-N 3.5Å; A393-I441 HydrophobicContact CB-CD1 3.7Å; A393-I441 HydrophobicContact CB-CG1 3.59Å
394	S	96.5	Very high	96.1	Very high	40 Å²	40	28.5 Å²	28.5	28%	0.28	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.7	162.4	47	0	0	0	0	110.2	V342 M398	V342-S394 VanDerWaalsContact O-CB 3.26Å; V342-S394 WeakPolarHBondContact O-CB 3.34Å; V342-S394 PolarHBondContact O-OG 3.18Å; S394-M398 WeakPolarHBondContact CA-O 3.46Å
395	I	94.4	Very high	95.9	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	117.8	176.6	-165.7	171	0	0	0	108.2	D397 M398 V400 I441 D444 V446 H468	I395-D397 PolarHBondContact O-N 3.03Å; I395-D397 VanDerWaalsContact O-N 3.1Å; I395-M398 PolarHBondContact N-O 2.81Å; I395-M398 PolarHBondContact O-N 2.8Å; I395-V400 HydrophobicContact CG2-CB 4.28Å; I395-V400 HydrophobicContact CG2-CG1 4.16Å; I395-I441 HydrophobicContact CB-CD1 4.39Å; I395-I441 HydrophobicContact CD1-CD1 4.43Å; I395-D444 WeakPolarHBondContact CD1-O 3.35Å; I395-V446 HydrophobicContact CD1-CG2 3.75Å; I395-H468 HydrophobicContact CD1-CB 4Å; I395-H468 WeakPolarHBondContact CD1-CD2 3.34Å
396	E	90.9	Very high	95.7	Very high	97 Å²	97	23.5 Å²	23.5	45%	0.453	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	-115.6	-168.5	-59.7	-175.8	166.7	0	0	111.6	L343 H468 R469	L343-E396 VanDerWaalsContact CD1-O 3.32Å; L343-E396 WeakPolarHBondContact CD1-O 3.46Å; E396-H468 IonicContact OE1-CE1 2.81Å; E396-H468 PolarHBondContact OE1-CE1 2.95Å; E396-H468 VanDerWaalsContact OE1-CE1 3.26Å; E396-H468 IonicContact OE1-NE2 3.94Å; E396-H468 PolarHBondContact OE1-NE2 3.36Å; E396-H468 IonicContact OE2-CE1 3.46Å; E396-H468 PolarHBondContact OE2-CE1 2.92Å; E396-H468 IonicContact OE2-NE2 3.54Å; E396-R469 IonicContact OE1-CZ 3.78Å; E396-R469 IonicContact OE1-NE 3.56Å; E396-R469 PolarHBondContact OE1-NE 2.87Å; E396-R469 IonicContact OE1-NH2 3.58Å; E396-R469 PolarHBondContact OE1-NH2 2.92Å
397	D	94.4	Very high	95.4	Very high	73 Å²	73	23.1 Å²	23.1	39%	0.39	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	8.4	-177.4	-83.3	-5.6	0	0	0	113.6	V282 I395 P419 K420	V282-D397 HydrophobicContact CG1-CB 3.69Å; V282-D397 WeakPolarHBondContact CG1-O 3.27Å; I395-D397 PolarHBondContact O-N 3.03Å; I395-D397 VanDerWaalsContact O-N 3.1Å; D397-P419 WeakPolarHBondContact O-CD 3.42Å; D397-K420 IonicContact OD2-NZ 3.11Å; D397-K420 PolarHBondContact OD2-NZ 2.83Å
398	M	96.5	Very high	95	Very high	54 Å²	54	29.2 Å²	29.2	27%	0.266	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	165.8	-170.1	-64.6	-174.3	-66.9	0	0	112.6	S394 I395 Y417	S394-M398 WeakPolarHBondContact CA-O 3.46Å; I395-M398 PolarHBondContact N-O 2.81Å; I395-M398 PolarHBondContact O-N 2.8Å; M398-Y417 VanDerWaalsContact CA-O 3.31Å; M398-Y417 WeakPolarHBondContact CA-O 3.3Å; M398-Y417 VanDerWaalsContact CB-O 3.31Å; M398-Y417 WeakPolarHBondContact CB-O 3.01Å
399	L	98.2	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	149.4	163.8	-50.7	174.7	0	0	0	109.7	A341 L343 F348 L367 L392 A393 T416 Y417	A341-L399 HydrophobicContact CB-CD2 3.98Å; L343-L399 HydrophobicContact CB-CD2 4.05Å; L343-L399 HydrophobicContact CD2-CD2 4.04Å; L343-L399 HydrophobicContact CD2-CG 4.4Å; F348-L399 HydrophobicContact CB-CD1 3.81Å; F348-L399 HydrophobicContact CD1-CD1 3.62Å; F348-L399 HydrophobicContact CD2-CD1 4.14Å; F348-L399 HydrophobicContact CD2-CD2 4.42Å; F348-L399 HydrophobicContact CE1-CD1 4.14Å; F348-L399 HydrophobicContact CG-CD1 3.59Å; L367-L399 HydrophobicContact CD1-CD1 4.26Å; L367-L399 HydrophobicContact CD2-CD1 4.3Å; L392-L399 HydrophobicContact CD1-CB 4.27Å; A393-L399 CarbonylContact O-C 3.52Å; A393-L399 WeakPolarHBondContact O-CA 3.37Å; L399-T416 CarbonylContact O-C 3.5Å; L399-T416 WeakPolarHBondContact O-CA 3.47Å; L399-Y417 HydrophobicContact CD1-CD1 3.89Å; L399-Y417 HydrophobicContact CG-CD1 4.12Å; L399-Y417 PolarHBondContact N-O 3.16Å; L399-Y417 PolarHBondContact O-N 2.97Å
400	V	98.1	Very high	94.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125	175.5	60.6	0	0	0	0	109.5	L392 A393 I395 V402 V414 T416 V446	L392-V400 VanDerWaalsContact CA-O 3.31Å; L392-V400 WeakPolarHBondContact CA-O 3.4Å; A393-V400 HydrophobicContact CB-CG1 3.96Å; A393-V400 PolarHBondContact N-O 3.06Å; A393-V400 PolarHBondContact O-N 3.5Å; I395-V400 HydrophobicContact CG2-CB 4.28Å; I395-V400 HydrophobicContact CG2-CG1 4.16Å; V400-V402 HydrophobicContact CG2-CG2 3.92Å; V400-V414 HydrophobicContact CG2-CG1 3.77Å; V400-T416 HydrophobicContact CB-CG2 4.29Å; V400-T416 HydrophobicContact CG2-CG2 4.2Å; V400-V446 HydrophobicContact CG1-CG2 3.83Å
401	A	98.4	Very high	94.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.5	176	0	0	0	0	0	109.6	M383 F390 Y391 L392 V414 E415 W424	M383-A401 HydrophobicContact SD-CB 3.87Å; F390-A401 HydrophobicContact CD2-CB 4.15Å; F390-A401 HydrophobicContact CE2-CB 4.01Å; Y391-A401 CarbonylContact O-C 3.6Å; Y391-A401 WeakPolarHBondContact O-CA 3.32Å; L392-A401 HydrophobicContact CD1-CB 4.03Å; A401-V414 WeakPolarHBondContact O-CA 3.45Å; A401-V414 WeakPolarHBondContact O-CG1 3.49Å; A401-E415 PolarHBondContact N-O 2.72Å; A401-E415 PolarHBondContact O-N 2.84Å; A401-W424 HydrophobicContact CB-CH2 4.02Å; A401-W424 HydrophobicContact CB-CZ3 3.74Å
402	V	98.2	Very high	94.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.5	-170.7	-177.5	0	0	0	0	110.7	F390 Y391 V400 V414 L430 H437 V446 I448 W473	F390-V402 WeakPolarHBondContact CB-O 3.28Å; Y391-V402 HydrophobicContact CD1-CG2 4.38Å; Y391-V402 PolarHBondContact N-O 3Å; Y391-V402 VanDerWaalsContact N-O 3.12Å; Y391-V402 PolarHBondContact O-N 3.16Å; V400-V402 HydrophobicContact CG2-CG2 3.92Å; V402-V414 HydrophobicContact CG1-CG2 4.07Å; V402-V414 HydrophobicContact CG2-CG1 3.98Å; V402-L430 HydrophobicContact CG1-CD1 3.83Å; V402-L430 HydrophobicContact CG1-CD2 3.85Å; V402-L430 HydrophobicContact CG1-CG 3.96Å; V402-H437 PolarHBondContact O-CE1 3.32Å; V402-H437 PolarHBondContact O-NE2 3.09Å; V402-H437 VanDerWaalsContact O-NE2 3.15Å; V402-V446 HydrophobicContact CG2-CG1 4.49Å; V402-I448 HydrophobicContact CB-CD1 4.32Å; V402-I448 HydrophobicContact CG1-CD1 4.21Å; V402-I448 HydrophobicContact CG1-CG1 3.97Å; V402-I448 HydrophobicContact CG2-CD1 4.46Å; V402-W473 HydrophobicContact CG1-CH2 3.91Å; V402-W473 HydrophobicContact CG1-CZ2 4.04Å; V402-W473 HydrophobicContact CG2-CH2 4.21Å; V402-W473 HydrophobicContact CG2-CZ2 4.31Å
403	G	96.3	Very high	94.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.			trans	57.8	-142.8	171.1	0	0	0	0	0	114.5	R387 F390 S413	R387-G403 PolarHBondContact NH1-O 3.32Å; F390-G403 WeakPolarHBondContact CB-O 3.25Å; G403-S413 PolarHBondContact N-O 2.8Å; G403-S413 VanDerWaalsContact N-O 3.15Å
404	G	94.7	Very high	94.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.			trans	96.7	-163.3	-174.1	0	0	0	0	0	112.5	V388 D389 A410 L411 T434 Y435	V388-G404 CarbonylContact O-C 3.57Å; V388-G404 VanDerWaalsContact O-CA 3.3Å; V388-G404 WeakPolarHBondContact O-CA 3.13Å; D389-G404 WeakPolarHBondContact O-CA 3.35Å; G404-A410 CarbonylContact O-C 3.59Å; G404-L411 WeakPolarHBondContact O-CB 3.16Å; G404-L411 PolarHBondContact O-N 3.13Å; G404-T434 PolarHBondContact N-O 3.17Å; G404-Y435 VanDerWaalsContact C-CB 3.41Å
405	R	92.4	Very high	94.6	Very high	29 Å²	29	29 Å²	29	11%	0.109	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	164.8	178.3	66.4	-177.7	-179.3	102.9	2.1	112.4	N358 G359 G360 V388 D389 G409 Y435	N358-R405 PolarHBondContact O-NH1 2.91Å; G359-R405 PolarHBondContact O-NH1 2.91Å; G360-R405 VanDerWaalsContact N-NH1 3.11Å; V388-R405 HydrophobicContact CG1-CG 3.51Å; V388-R405 PolarHBondContact N-O 2.84Å; V388-R405 PolarHBondContact O-N 2.64Å; D389-R405 IonicContact OD2-CZ 3.31Å; D389-R405 IonicContact OD2-NE 3.26Å; D389-R405 PolarHBondContact OD2-NE 2.92Å; D389-R405 IonicContact OD2-NH2 3.22Å; D389-R405 PolarHBondContact OD2-NH2 2.82Å; D389-R405 VanDerWaalsContact OD2-NH2 3.11Å; R405-G409 CarbonylContact C-O 3.55Å; R405-G409 WeakPolarHBondContact CA-O 3.48Å; R405-G409 WeakPolarHBondContact CB-O 3.48Å; R405-Y435 HydrophobicContact CB-CD1 4.42Å; R405-Y435 HydrophobicContact CB-CG 4.09Å; R405-Y435 HydrophobicContact CG-CD2 4.26Å; R405-Y435 HydrophobicContact CG-CG 4.21Å
406	N	92.5	Very high	94.8	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.048	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	-167.8	168.8	58.9	35.9	0	0	0	110.2	G360 A363 R386 N408 G409	G360-N406 CarbonylContact O-C 3.42Å; A363-N406 HydrophobicContact CB-CB 4.07Å; R386-N406 HydrophobicContact CB-CB 4.12Å; R386-N406 WeakPolarHBondContact O-CB 3.31Å; R386-N406 PolarHBondContact O-ND2 3.13Å; R386-N406 VanDerWaalsContact O-ND2 3.12Å; N406-N408 PolarHBondContact O-N 2.9Å; N406-N408 WeakPolarHBondContact OD1-CB 2.97Å; N406-N408 PolarHBondContact OD1-N 3.26Å; N406-G409 PolarHBondContact N-O 2.85Å; N406-G409 PolarHBondContact O-N 3.11Å
407	E	88.6	Confident	95.2	Very high	107 Å²	107	25 Å²	25	50%	0.5	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-26.8	176.3	67.8	-166.1	-172.8	0	0	114.5	G360	G360-E407 PolarHBondContact O-N 2.85Å; G360-E407 VanDerWaalsContact O-N 3.08Å
408	N	88.3	Confident	95.3	Very high	129 Å²	129	22.6 Å²	22.6	69%	0.69	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	0.6	179.7	-57.9	-60.9	0	0	0	113.3	N406	N406-N408 PolarHBondContact O-N 2.9Å; N406-N408 WeakPolarHBondContact OD1-CB 2.97Å; N406-N408 PolarHBondContact OD1-N 3.26Å
409	G	89.5	Confident	95.4	Very high	26 Å²	26	20.1 Å²	20.1	27%	0.268	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	104.6	-156.3	-179.2	0	0	0	0	0	113.9	R405 N406	R405-G409 CarbonylContact C-O 3.55Å; R405-G409 WeakPolarHBondContact CA-O 3.48Å; R405-G409 WeakPolarHBondContact CB-O 3.48Å; N406-G409 PolarHBondContact N-O 2.85Å; N406-G409 PolarHBondContact O-N 3.11Å
410	A	92.2	Very high	95.2	Very high	16 Å²	16	26.2 Å²	26.2	13%	0.132	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	149.6	-177.2	0	0	0	0	0	112	G404 F433 Y435	G404-A410 CarbonylContact O-C 3.59Å; A410-F433 HydrophobicContact CB-CB 3.75Å; A410-F433 WeakPolarHBondContact O-CD1 3.42Å; A410-Y435 HydrophobicContact CB-CD1 3.76Å; A410-Y435 HydrophobicContact CB-CE1 4.36Å
411	L	94.5	Very high	95.1	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.079	17%	0.171	C	C	.	.			trans	-114.5	140.9	-176.9	-58.1	175.3	0	0	0	110.6	Q385 R387 G404 T434	Q385-L411 HydrophobicContact CB-CD1 4.46Å; R387-L411 HydrophobicContact CG-CD1 3.96Å; G404-L411 WeakPolarHBondContact O-CB 3.16Å; G404-L411 PolarHBondContact O-N 3.13Å; L411-T434 PolarHBondContact O-N 3.3Å
412	S	95.4	Very high	95.1	Very high	32 Å²	32	33.7 Å²	33.7	22%	0.224	19%	0.187	C	C	.	.			trans	-106.5	-9.3	166.9	56.4	0	0	0	0	111.9	G429 L430 F433	S412-G429 CarbonylContact O-C 3.44Å; S412-G429 VanDerWaalsContact O-CA 3.23Å; S412-G429 WeakPolarHBondContact O-CA 3.2Å; S412-L430 WeakPolarHBondContact CB-O 3.48Å; S412-L430 PolarHBondContact O-N 3.44Å; S412-F433 WeakPolarHBondContact OG-CE1 3.27Å
413	S	97.5	Very high	95.1	Very high	19 Å²	19	35.8 Å²	35.8	13%	0.133	20%	0.201	C	C	.	.			trans	-66.3	145.8	-178.5	59.4	0	0	0	0	111.5	Q385 R387 G403	Q385-S413 PolarHBondContact OE1-OG 3.09Å; R387-S413 PolarHBondContact NH1-O 3.48Å; R387-S413 PolarHBondContact NH1-OG 3.09Å; R387-S413 PolarHBondContact NH2-O 3.05Å; R387-S413 PolarHBondContact NH2-OG 2.81Å; G403-S413 PolarHBondContact N-O 2.8Å; G403-S413 VanDerWaalsContact N-O 3.15Å
414	V	98.3	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.4	173.4	-175.9	0	0	0	0	107.5	V400 A401 V402 V427 A428 L430 W473	V400-V414 HydrophobicContact CG2-CG1 3.77Å; A401-V414 WeakPolarHBondContact O-CA 3.45Å; A401-V414 WeakPolarHBondContact O-CG1 3.49Å; V402-V414 HydrophobicContact CG1-CG2 4.07Å; V402-V414 HydrophobicContact CG2-CG1 3.98Å; V414-V427 HydrophobicContact CB-CG2 3.76Å; V414-V427 HydrophobicContact CG1-CG2 3.43Å; V414-V427 VanDerWaalsContact CG1-CG2 3.43Å; V414-V427 PolarHBondContact O-N 3.47Å; V414-V427 VanDerWaalsContact O-N 3.08Å; V414-A428 WeakPolarHBondContact CB-O 3.49Å; V414-A428 WeakPolarHBondContact CG2-O 3.41Å; V414-L430 HydrophobicContact CG2-CG 4.27Å; V414-W473 HydrophobicContact CG2-CZ2 3.91Å
415	E	98.1	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143.6	-178.6	-61.5	177.6	-107.4	0	0	110.5	N384 Q385 R387 A401 W424 S425 Y426	N384-E415 WeakPolarHBondContact CA-OE2 3.19Å; N384-E415 WeakPolarHBondContact CB-OE2 3.45Å; N384-E415 VanDerWaalsContact CG-OE2 3.29Å; N384-E415 PolarHBondContact N-OE2 2.92Å; N384-E415 PolarHBondContact ND2-OE2 3.04Å; Q385-E415 PolarHBondContact N-OE1 2.97Å; R387-E415 IonicContact CZ-OE1 3.39Å; R387-E415 IonicContact NE-OE1 3.81Å; R387-E415 PolarHBondContact NE-OE1 3.29Å; R387-E415 IonicContact NH2-OE1 3.9Å; R387-E415 PolarHBondContact NH2-OE1 2.86Å; A401-E415 PolarHBondContact N-O 2.72Å; A401-E415 PolarHBondContact O-N 2.84Å; E415-W424 HydrophobicContact CB-CE3 3.73Å; E415-W424 HydrophobicContact CB-CZ3 4.21Å; E415-S425 CarbonylContact C-O 3.49Å; E415-S425 VanDerWaalsContact CA-O 3.26Å; E415-S425 WeakPolarHBondContact CA-O 3.47Å; E415-Y426 HydrophobicContact CG-CD1 3.48Å; E415-Y426 VanDerWaalsContact CG-CD1 3.48Å; E415-Y426 HydrophobicContact CG-CE1 3.53Å; E415-Y426 HydrophobicContact CG-CG 4.34Å
416	T	98.1	Very high	95.6	Very high	15 Å²	15	44.4 Å²	44.4	9%	0.092	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.4	174.7	56.4	0	0	0	0	111.5	L399 V400 W424 S425 V427	L399-T416 CarbonylContact O-C 3.5Å; L399-T416 WeakPolarHBondContact O-CA 3.47Å; V400-T416 HydrophobicContact CB-CG2 4.29Å; V400-T416 HydrophobicContact CG2-CG2 4.2Å; T416-W424 CarbonylContact O-C 3.55Å; T416-W424 WeakPolarHBondContact O-CA 3.47Å; T416-S425 PolarHBondContact N-O 3.17Å; T416-S425 PolarHBondContact O-N 3.02Å; T416-V427 HydrophobicContact CG2-CG1 3.79Å; T416-V427 HydrophobicContact CG2-CG2 4.11Å
417	Y	98.5	Very high	95.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.6	174.1	174.8	-110.2	0	0	0	110.7	F348 L367 A381 M398 L399 P419 D422 S423 W424	F348-Y417 AromaticContact CE1-CE1 3.98Å; F348-Y417 HydrophobicContact CE1-CE1 3.98Å; F348-Y417 HydrophobicContact CZ-CE1 4.48Å; L367-Y417 HydrophobicContact CD2-CD1 3.8Å; L367-Y417 HydrophobicContact CD2-CD2 3.95Å; L367-Y417 HydrophobicContact CD2-CE1 3.86Å; L367-Y417 HydrophobicContact CD2-CE2 4Å; L367-Y417 HydrophobicContact CD2-CG 3.84Å; A381-Y417 HydrophobicContact CB-CE2 4.18Å; M398-Y417 VanDerWaalsContact CA-O 3.31Å; M398-Y417 WeakPolarHBondContact CA-O 3.3Å; M398-Y417 VanDerWaalsContact CB-O 3.31Å; M398-Y417 WeakPolarHBondContact CB-O 3.01Å; L399-Y417 HydrophobicContact CD1-CD1 3.89Å; L399-Y417 HydrophobicContact CG-CD1 4.12Å; L399-Y417 PolarHBondContact N-O 3.16Å; L399-Y417 PolarHBondContact O-N 2.97Å; Y417-P419 HydrophobicContact CD1-CG 4.15Å; Y417-P419 HydrophobicContact CE1-CB 4.2Å; Y417-P419 HydrophobicContact CE1-CG 3.85Å; Y417-P419 WeakPolarHBondContact O-CD 3.43Å; Y417-D422 WeakPolarHBondContact CE2-OD1 3.42Å; Y417-D422 PolarHBondContact OH-OD1 2.99Å; Y417-S423 WeakPolarHBondContact CA-O 3.18Å; Y417-W424 AromaticContact CD2-CD1 3.81Å; Y417-W424 HydrophobicContact CD2-CD2 4.25Å; Y417-W424 AromaticContact CD2-CE2 3.86Å; Y417-W424 HydrophobicContact CD2-CG 4.27Å; Y417-W424 HydrophobicContact CD2-CZ2 4.46Å; Y417-W424 AromaticContact CD2-NE1 3.52Å; Y417-W424 HydrophobicContact CG-CD2 4.4Å; Y417-W424 AromaticContact CG-CE2 3.99Å; Y417-W424 HydrophobicContact CG-CZ2 4.2Å
418	S	97.5	Very high	96.3	Very high	24 Å²	24	41.7 Å²	41.7	17%	0.168	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	111.7	172.7	163.9	0	0	0	0	110.1	K420 T421 D422 S423	S418-K420 PolarHBondContact O-N 3.41Å; S418-K420 PolarHBondContact OG-N 2.76Å; S418-T421 VanDerWaalsContact CB-OG1 3.26Å; S418-T421 WeakPolarHBondContact CB-OG1 3.3Å; S418-T421 PolarHBondContact O-N 3.08Å; S418-T421 PolarHBondContact OG-N 2.83Å; S418-T421 PolarHBondContact OG-OG1 2.91Å; S418-D422 WeakPolarHBondContact O-CA 3.06Å; S418-D422 PolarHBondContact O-N 3.29Å; S418-S423 PolarHBondContact N-O 3.49Å; S418-S423 PolarHBondContact O-N 2.85Å
419	P	97.2	Very high	96.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28	172.7	-23.4	33.6	0	0	0	113.2	A278 A279 P281 V282 L343 D397 Y417 T421	A278-P419 CarbonylContact C-O 3.58Å; A278-P419 VanDerWaalsContact C-O 3.31Å; A278-P419 VanDerWaalsContact O-CB 3.3Å; A278-P419 WeakPolarHBondContact O-CB 3.45Å; A279-P419 WeakPolarHBondContact CA-O 3.46Å; A279-P419 WeakPolarHBondContact CB-O 3.41Å; A279-P419 PolarHBondContact N-O 3.15Å; P281-P419 HydrophobicContact CG-CB 4.34Å; V282-P419 HydrophobicContact CG1-CB 4.22Å; V282-P419 HydrophobicContact CG1-CG 4.1Å; V282-P419 HydrophobicContact CG2-CB 4.31Å; L343-P419 HydrophobicContact CD2-CG 3.72Å; D397-P419 WeakPolarHBondContact O-CD 3.42Å; Y417-P419 HydrophobicContact CD1-CG 4.15Å; Y417-P419 HydrophobicContact CE1-CB 4.2Å; Y417-P419 HydrophobicContact CE1-CG 3.85Å; Y417-P419 WeakPolarHBondContact O-CD 3.43Å; P419-T421 VanDerWaalsContact C-N 3.34Å; P419-T421 PolarHBondContact O-N 3.47Å
420	K	95.7	Very high	97.1	Very high	129 Å²	129	36.5 Å²	36.5	56%	0.561	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-37.1	-179.6	-65.2	-180	-177.6	159.7	0	112.2	V282 D397 S418	V282-K420 HydrophobicContact CG2-CD 4.41Å; V282-K420 HydrophobicContact CG2-CG 3.63Å; D397-K420 IonicContact OD2-NZ 3.11Å; D397-K420 PolarHBondContact OD2-NZ 2.83Å; S418-K420 PolarHBondContact O-N 3.41Å; S418-K420 PolarHBondContact OG-N 2.76Å
421	T	96.3	Very high	97.1	Very high	93 Å²	93	40.3 Å²	40.3	57%	0.571	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-5.6	-175.3	53	0	0	0	0	113	S418 P419 S423	S418-T421 VanDerWaalsContact CB-OG1 3.26Å; S418-T421 WeakPolarHBondContact CB-OG1 3.3Å; S418-T421 PolarHBondContact O-N 3.08Å; S418-T421 PolarHBondContact OG-N 2.83Å; S418-T421 PolarHBondContact OG-OG1 2.91Å; P419-T421 VanDerWaalsContact C-N 3.34Å; P419-T421 PolarHBondContact O-N 3.47Å; T421-S423 VanDerWaalsContact C-N 3.31Å; T421-S423 PolarHBondContact O-N 3.48Å; T421-S423 PolarHBondContact OG1-OG 3.06Å
422	D	97.5	Very high	96.8	Very high	64 Å²	64	46.6 Å²	46.6	34%	0.342	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	53.7	-172.6	-167.5	23.2	0	0	0	111.1	A278 A381 Y417 S418	A278-D422 HydrophobicContact CB-CB 3.8Å; A381-D422 WeakPolarHBondContact CB-O 3.14Å; A381-D422 WeakPolarHBondContact CB-OD1 3.46Å; A381-D422 PolarHBondContact N-OD1 3.24Å; Y417-D422 WeakPolarHBondContact CE2-OD1 3.42Å; Y417-D422 PolarHBondContact OH-OD1 2.99Å; S418-D422 WeakPolarHBondContact O-CA 3.06Å; S418-D422 PolarHBondContact O-N 3.29Å
423	S	97.9	Very high	96.7	Very high	44 Å²	44	49.1 Å²	49.1	31%	0.308	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	152	-176	65.9	0	0	0	0	112.9	Y417 S418 T421	Y417-S423 WeakPolarHBondContact CA-O 3.18Å; S418-S423 PolarHBondContact N-O 3.49Å; S418-S423 PolarHBondContact O-N 2.85Å; T421-S423 VanDerWaalsContact C-N 3.31Å; T421-S423 PolarHBondContact O-N 3.48Å; T421-S423 PolarHBondContact OG1-OG 3.06Å
424	W	98.6	Very high	96.4	Very high	16 Å²	16	48.8 Å²	48.8	6%	0.061	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.4	175.1	-71.7	87.6	0	0	0	110.6	L367 A381 M383 N384 L392 A401 E415 T416 Y417	L367-W424 HydrophobicContact CB-CZ2 4.45Å; L367-W424 HydrophobicContact CD1-CZ2 4.34Å; L367-W424 HydrophobicContact CD2-CZ2 3.76Å; L367-W424 HydrophobicContact CG-CZ2 4.41Å; A381-W424 PolarHBondContact O-NE1 3.1Å; M383-W424 HydrophobicContact CB-CD2 4.33Å; M383-W424 HydrophobicContact CB-CZ2 4.49Å; M383-W424 HydrophobicContact CG-CD2 3.75Å; M383-W424 HydrophobicContact CG-CE3 4Å; M383-W424 HydrophobicContact CG-CG 4.49Å; M383-W424 HydrophobicContact CG-CH2 3.53Å; M383-W424 HydrophobicContact CG-CZ2 3.23Å; M383-W424 HydrophobicContact CG-CZ3 3.92Å; M383-W424 HydrophobicContact SD-CH2 3.89Å; M383-W424 HydrophobicContact SD-CZ2 4.07Å; M383-W424 HydrophobicContact SD-CZ3 4.37Å; N384-W424 WeakPolarHBondContact ND2-CB 3.12Å; N384-W424 PolarHBondContact ND2-O 3.26Å; L392-W424 HydrophobicContact CD1-CH2 4.19Å; A401-W424 HydrophobicContact CB-CH2 4.02Å; A401-W424 HydrophobicContact CB-CZ3 3.74Å; E415-W424 HydrophobicContact CB-CE3 3.73Å; E415-W424 HydrophobicContact CB-CZ3 4.21Å; T416-W424 CarbonylContact O-C 3.55Å; T416-W424 WeakPolarHBondContact O-CA 3.47Å; Y417-W424 AromaticContact CD2-CD1 3.81Å; Y417-W424 HydrophobicContact CD2-CD2 4.25Å; Y417-W424 AromaticContact CD2-CE2 3.86Å; Y417-W424 HydrophobicContact CD2-CG 4.27Å; Y417-W424 HydrophobicContact CD2-CZ2 4.46Å; Y417-W424 AromaticContact CD2-NE1 3.52Å; Y417-W424 HydrophobicContact CG-CD2 4.4Å; Y417-W424 AromaticContact CG-CE2 3.99Å; Y417-W424 HydrophobicContact CG-CZ2 4.2Å
425	S	98	Very high	96.2	Very high	66 Å²	66	48.9 Å²	48.9	46%	0.462	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.8	176.5	-61.4	0	0	0	0	110.6	E415 T416	E415-S425 CarbonylContact C-O 3.49Å; E415-S425 VanDerWaalsContact CA-O 3.26Å; E415-S425 WeakPolarHBondContact CA-O 3.47Å; T416-S425 PolarHBondContact N-O 3.17Å; T416-S425 PolarHBondContact O-N 3.02Å
426	Y	98.4	Very high	95.9	Very high	128 Å²	128	49 Å²	49	50%	0.502	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	143.8	174.1	-68	-75.3	0	0	0	110.9	N384 Q385 E415	N384-Y426 HydrophobicContact CB-CE2 4.04Å; N384-Y426 VanDerWaalsContact CB-OH 3.27Å; N384-Y426 WeakPolarHBondContact CB-OH 3.45Å; Q385-Y426 HydrophobicContact CG-CE1 4.5Å; Q385-Y426 WeakPolarHBondContact CG-OH 3.31Å; E415-Y426 HydrophobicContact CG-CD1 3.48Å; E415-Y426 VanDerWaalsContact CG-CD1 3.48Å; E415-Y426 HydrophobicContact CG-CE1 3.53Å; E415-Y426 HydrophobicContact CG-CG 4.34Å
427	V	97.8	Very high	95.8	Very high	34 Å²	34	48.8 Å²	48.8	21%	0.206	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	-175.2	172.2	-61	0	0	0	0	109.1	V414 T416 G429 Y466 D471	V414-V427 HydrophobicContact CB-CG2 3.76Å; V414-V427 HydrophobicContact CG1-CG2 3.43Å; V414-V427 VanDerWaalsContact CG1-CG2 3.43Å; V414-V427 PolarHBondContact O-N 3.47Å; V414-V427 VanDerWaalsContact O-N 3.08Å; T416-V427 HydrophobicContact CG2-CG1 3.79Å; T416-V427 HydrophobicContact CG2-CG2 4.11Å; V427-G429 PolarHBondContact O-N 3.38Å; V427-G429 VanDerWaalsContact O-N 3.15Å; V427-Y466 WeakPolarHBondContact CB-OH 3.12Å; V427-Y466 WeakPolarHBondContact CG2-OH 3.5Å; V427-D471 WeakPolarHBondContact CB-OD1 3.41Å
428	A	97.8	Very high	95.8	Very high	25 Å²	25	49.1 Å²	49.1	21%	0.207	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-52.7	122.8	-179.9	0	0	0	0	0	111.7	V414 Y466 D471 W473	V414-A428 WeakPolarHBondContact CB-O 3.49Å; V414-A428 WeakPolarHBondContact CG2-O 3.41Å; A428-Y466 HydrophobicContact CB-CE2 4.22Å; A428-D471 VanDerWaalsContact CB-O 3.24Å; A428-D471 WeakPolarHBondContact CB-O 3.43Å; A428-D471 WeakPolarHBondContact CB-OD1 3.18Å; A428-D471 PolarHBondContact N-OD1 3.06Å; A428-W473 PolarHBondContact O-NE1 3.24Å
429	G	97.3	Very high	95.8	Very high	37 Å²	37	48.2 Å²	48.2	38%	0.381	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-72.7	159.8	177.9	0	0	0	0	0	112.6	S412 V427 W473	S412-G429 CarbonylContact O-C 3.44Å; S412-G429 VanDerWaalsContact O-CA 3.23Å; S412-G429 WeakPolarHBondContact O-CA 3.2Å; V427-G429 PolarHBondContact O-N 3.38Å; V427-G429 VanDerWaalsContact O-N 3.15Å; G429-W473 VanDerWaalsContact O-CD1 3.28Å
430	L	96.1	Very high	95.8	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.047	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-59.6	144.2	168	-65.6	173.8	0	0	0	110.3	V402 S412 V414 R432 L464 W473	V402-L430 HydrophobicContact CG1-CD1 3.83Å; V402-L430 HydrophobicContact CG1-CD2 3.85Å; V402-L430 HydrophobicContact CG1-CG 3.96Å; S412-L430 WeakPolarHBondContact CB-O 3.48Å; S412-L430 PolarHBondContact O-N 3.44Å; V414-L430 HydrophobicContact CG2-CG 4.27Å; L430-R432 WeakPolarHBondContact CB-O 3.3Å; L430-R432 PolarHBondContact O-N 2.93Å; L430-L464 HydrophobicContact CD2-CD1 3.91Å; L430-W473 HydrophobicContact CD2-CD2 4.06Å; L430-W473 HydrophobicContact CD2-CE3 4.12Å; L430-W473 HydrophobicContact CD2-CH2 3.78Å; L430-W473 HydrophobicContact CD2-CZ2 3.71Å; L430-W473 HydrophobicContact CD2-CZ3 3.97Å
431	P	91.8	Very high	95.9	Very high	95 Å²	95	44.4 Å²	44.4	62%	0.617	25%	0.246	S	C	*	.	S	Bend	trans	-59.6	-20.4	175.4	-24.8	33.9	0	0	0	114.4
432	R	89.4	Confident	95.9	Very high	147 Å²	147	40.8 Å²	40.8	56%	0.555	22%	0.222	S	C	*	.	S	Bend	trans	-143.6	149.9	179.8	-61.4	-172.9	-178.4	-160.7	0.4	110.6	L430 T434	L430-R432 WeakPolarHBondContact CB-O 3.3Å; L430-R432 PolarHBondContact O-N 2.93Å; R432-T434 PolarHBondContact O-N 2.93Å; R432-T434 PolarHBondContact O-OG1 3.14Å; R432-T434 VanDerWaalsContact O-OG1 3.11Å
433	F	92.1	Very high	95.7	Very high	86 Å²	86	43.5 Å²	43.5	38%	0.377	23%	0.231	S	C	.	.			trans	-58.6	133.2	170	-56.3	-81.5	0	0	0	109.9	A410 S412 D453 R460	A410-F433 HydrophobicContact CB-CB 3.75Å; A410-F433 WeakPolarHBondContact O-CD1 3.42Å; S412-F433 WeakPolarHBondContact OG-CE1 3.27Å; F433-D453 WeakPolarHBondContact O-CB 3.39Å; F433-R460 PolarHBondContact O-NH1 3.19Å
434	T	92.8	Very high	95.4	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.067	23%	0.233	C	C	.	.			trans	-153.1	130.4	-174.3	-50.8	0	0	0	0	111.1	G404 L411 R432 H437 H452 R460	G404-T434 PolarHBondContact N-O 3.17Å; L411-T434 PolarHBondContact O-N 3.3Å; R432-T434 PolarHBondContact O-N 2.93Å; R432-T434 PolarHBondContact O-OG1 3.14Å; R432-T434 VanDerWaalsContact O-OG1 3.11Å; T434-H437 HydrophobicContact CG2-CB 3.8Å; T434-H437 PolarHBondContact O-ND1 3.45Å; T434-H452 WeakPolarHBondContact CA-O 3.42Å; T434-R460 PolarHBondContact OG1-NH1 3.45Å; T434-R460 VanDerWaalsContact OG1-NH1 3.16Å
435	Y	93.4	Very high	95.3	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.012	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-136.1	166.2	168.6	73	-81.6	0	0	0	110.4	D389 G404 R405 A410 H437 G451 H452 Y454 W485	D389-Y435 HydrophobicContact CB-CD2 4.09Å; G404-Y435 VanDerWaalsContact C-CB 3.41Å; R405-Y435 HydrophobicContact CB-CD1 4.42Å; R405-Y435 HydrophobicContact CB-CG 4.09Å; R405-Y435 HydrophobicContact CG-CD2 4.26Å; R405-Y435 HydrophobicContact CG-CG 4.21Å; A410-Y435 HydrophobicContact CB-CD1 3.76Å; A410-Y435 HydrophobicContact CB-CE1 4.36Å; Y435-H437 PolarHBondContact O-N 3.46Å; Y435-G451 WeakPolarHBondContact O-CA 3.23Å; Y435-H452 VanDerWaalsContact CD1-O 3.27Å; Y435-H452 WeakPolarHBondContact CD1-O 3.49Å; Y435-H452 HydrophobicContact CE1-CB 4.18Å; Y435-H452 AromaticContact CE1-ND1 3.92Å; Y435-H452 WeakPolarHBondContact CE1-O 3.44Å; Y435-H452 AromaticContact CZ-ND1 3.67Å; Y435-H452 PolarHBondContact N-O 2.93Å; Y435-H452 VanDerWaalsContact N-O 3.09Å; Y435-H452 PolarHBondContact O-N 3.09Å; Y435-H452 PolarHBondContact OH-ND1 2.96Å; Y435-Y454 AromaticContact CE1-CD2 3.99Å; Y435-Y454 HydrophobicContact CE1-CD2 3.99Å; Y435-Y454 HydrophobicContact CE1-CE2 4.35Å; Y435-Y454 HydrophobicContact CE2-CE2 4.33Å; Y435-Y454 AromaticContact CZ-CD2 3.7Å; Y435-Y454 AromaticContact CZ-CE2 3.59Å; Y435-Y454 WeakPolarHBondContact OH-CD2 3.35Å; Y435-Y454 WeakPolarHBondContact OH-CE2 3.33Å; Y435-W485 HydrophobicContact CD2-CZ2 4.28Å; Y435-W485 AromaticContact CE2-CH2 3.76Å; Y435-W485 HydrophobicContact CE2-CH2 3.76Å; Y435-W485 AromaticContact CE2-CZ2 3.7Å; Y435-W485 HydrophobicContact CE2-CZ2 3.7Å
436	G	92.7	Very high	95.3	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.031	22%	0.219	C	C	.	.	S	Bend	trans	62.7	21.9	-175.2	0	0	0	0	0	112.7	D389 G484 W485	D389-G436 PolarHBondContact O-N 3.07Å; G436-G484 CarbonylContact O-C 3.53Å; G436-G484 WeakPolarHBondContact O-CA 3.46Å; G436-W485 PolarHBondContact O-N 2.82Å
437	H	96.1	Very high	95.3	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.046	20%	0.198	C	C	.	.			trans	-86.1	165.1	172.8	59.4	-88.9	0	0	0	109.8	Y391 V402 T434 Y435 I448 S449	Y391-H437 WeakPolarHBondContact CB-NE2 3.38Å; V402-H437 PolarHBondContact O-CE1 3.32Å; V402-H437 PolarHBondContact O-NE2 3.09Å; V402-H437 VanDerWaalsContact O-NE2 3.15Å; T434-H437 HydrophobicContact CG2-CB 3.8Å; T434-H437 PolarHBondContact O-ND1 3.45Å; Y435-H437 PolarHBondContact O-N 3.46Å; H437-I448 HydrophobicContact CB-CG2 3.93Å; H437-I448 WeakPolarHBondContact CD2-CG2 3.31Å; H437-S449 WeakPolarHBondContact CB-O 3.33Å
438	A	97.2	Very high	95.3	Very high	6 Å²	6	36.3 Å²	36.3	5%	0.05	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.2	175.3	0	0	0	0	0	110.8	I448 S449 H486 M488	A438-I448 CarbonylContact O-C 3.45Å; A438-I448 WeakPolarHBondContact O-CA 3.36Å; A438-S449 PolarHBondContact N-O 3.04Å; A438-S449 VanDerWaalsContact N-O 3.13Å; A438-S449 PolarHBondContact O-N 3.14Å; A438-H486 VanDerWaalsContact CB-CD2 3.45Å; A438-H486 WeakPolarHBondContact CB-CD2 3.45Å; A438-H486 VanDerWaalsContact CB-NE2 3.32Å; A438-H486 WeakPolarHBondContact CB-NE2 3.36Å; A438-H486 VanDerWaalsContact CB-O 3.28Å; A438-H486 WeakPolarHBondContact CB-O 3.48Å; A438-M488 HydrophobicContact CB-CB 3.61Å; A438-M488 WeakPolarHBondContact O-CE 3.48Å
439	G	97.3	Very high	95.2	Very high	5 Å²	5	35.1 Å²	35.1	5%	0.052	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.4	-176.8	0	0	0	0	0	113.7	Y391 Y447 M488	Y391-G439 WeakPolarHBondContact CE2-O 3.5Å; Y391-G439 PolarHBondContact OH-O 3.41Å; G439-Y447 CarbonylContact C-O 3.58Å; G439-Y447 WeakPolarHBondContact CA-O 3.43Å; G439-M488 VanDerWaalsContact C-CE 3.49Å; G439-M488 VanDerWaalsContact CA-CE 3.49Å; G439-M488 VanDerWaalsContact O-O 3.12Å
440	T	97.9	Very high	95.1	Very high	12 Å²	12	33.7 Å²	33.7	7%	0.074	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	161.3	166.8	-156.4	0	0	0	0	111.2	Y391 Y447 M488 C489 S490 I495	Y391-T440 WeakPolarHBondContact OH-CA 3.36Å; Y391-T440 PolarHBondContact OH-N 3.14Å; T440-Y447 PolarHBondContact N-O 3.13Å; T440-Y447 PolarHBondContact O-N 2.84Å; T440-M488 HydrophobicContact CG2-CE 4.03Å; T440-M488 HydrophobicContact CG2-CG 4.22Å; T440-M488 VanDerWaalsContact N-CE 3.32Å; T440-C489 WeakPolarHBondContact OG1-CA 3.23Å; T440-S490 PolarHBondContact OG1-N 3.12Å; T440-I495 HydrophobicContact CG2-CB 4.28Å; T440-I495 HydrophobicContact CG2-CD1 4.06Å; T440-I495 HydrophobicContact CG2-CG1 3.9Å; T440-I495 HydrophobicContact CG2-CG2 3.57Å
441	I	97.3	Very high	95	Very high	38 Å²	38	33.2 Å²	33.2	20%	0.195	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.2	171.4	-61.9	-66.9	0	0	0	108.8	A393 I395 F445 V446 S490	A393-I441 HydrophobicContact CB-CD1 3.7Å; A393-I441 HydrophobicContact CB-CG1 3.59Å; I395-I441 HydrophobicContact CB-CD1 4.39Å; I395-I441 HydrophobicContact CD1-CD1 4.43Å; I441-F445 WeakPolarHBondContact CA-O 3.2Å; I441-V446 HydrophobicContact CD1-CB 4.18Å; I441-V446 HydrophobicContact CD1-CG1 4.31Å; I441-V446 HydrophobicContact CD1-CG2 3.67Å; I441-S490 WeakPolarHBondContact O-CB 3.47Å; I441-S490 PolarHBondContact O-OG 3.06Å; I441-S490 VanDerWaalsContact O-OG 3.11Å
442	Y	96.4	Very high	94.6	Very high	17 Å²	17	29.2 Å²	29.2	7%	0.067	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	119.7	169.9	176.5	-95.8	0	0	0	109.9	D444 F445 Y447 D493 I495 P521	Y442-D444 VanDerWaalsContact C-N 3.31Å; Y442-D444 PolarHBondContact O-N 2.82Å; Y442-F445 PolarHBondContact N-O 2.83Å; Y442-F445 PolarHBondContact O-N 3Å; Y442-Y447 HydrophobicContact CD1-CE2 4.21Å; Y442-Y447 HydrophobicContact CG-CE2 4.49Å; Y442-D493 PolarHBondContact OH-OD1 2.96Å; Y442-I495 HydrophobicContact CG-CD1 4.26Å; Y442-I495 HydrophobicContact CG-CG1 4.37Å; Y442-P521 HydrophobicContact CD1-CB 4.12Å; Y442-P521 HydrophobicContact CD1-CG 3.69Å; Y442-P521 HydrophobicContact CE1-CB 3.76Å; Y442-P521 HydrophobicContact CE1-CG 3.56Å; Y442-P521 HydrophobicContact CG-CG 4.28Å
443	K	92.8	Very high	94.3	Very high	121 Å²	121	22.3 Å²	22.3	53%	0.526	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	49.2	-179.5	-65.2	-176.8	175.1	160.6	0	113.2	F445 D493	K443-F445 VanDerWaalsContact C-N 3.27Å; K443-F445 WeakPolarHBondContact O-CD2 3.19Å; K443-F445 WeakPolarHBondContact O-CE2 3.29Å; K443-F445 PolarHBondContact O-N 2.75Å; K443-D493 IonicContact NZ-OD1 3.8Å; K443-D493 PolarHBondContact NZ-OD1 2.76Å
444	D	91.8	Very high	93.1	Very high	69 Å²	69	25.8 Å²	25.8	37%	0.369	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	16.1	-178.7	-45.1	-34.3	0	0	0	116	I395 Y442 R469	I395-D444 WeakPolarHBondContact CD1-O 3.35Å; Y442-D444 VanDerWaalsContact C-N 3.31Å; Y442-D444 PolarHBondContact O-N 2.82Å; D444-R469 IonicContact OD2-CZ 3.6Å; D444-R469 IonicContact OD2-NH2 2.8Å; D444-R469 PolarHBondContact OD2-NH2 2.78Å
445	F	96.4	Very high	91.6	Very high	52 Å²	52	32 Å²	32	23%	0.228	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.3	169.9	-62.3	-91.4	0	0	0	110.3	I441 Y442 K443 Y447 Y466 D467	I441-F445 WeakPolarHBondContact CA-O 3.2Å; Y442-F445 PolarHBondContact N-O 2.83Å; Y442-F445 PolarHBondContact O-N 3Å; K443-F445 VanDerWaalsContact C-N 3.27Å; K443-F445 WeakPolarHBondContact O-CD2 3.19Å; K443-F445 WeakPolarHBondContact O-CE2 3.29Å; K443-F445 PolarHBondContact O-N 2.75Å; F445-Y447 HydrophobicContact CB-CD2 4.23Å; F445-Y447 HydrophobicContact CB-CE2 3.64Å; F445-Y466 WeakPolarHBondContact CA-O 3.45Å; F445-D467 HydrophobicContact CD1-CB 3.86Å; F445-D467 HydrophobicContact CE1-CB 3.65Å; F445-D467 WeakPolarHBondContact CE1-OD2 3.48Å
446	V	97.9	Very high	89.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.6	171.8	-167.3	0	0	0	0	108.6	Y391 I395 V400 V402 I441 I448 C465 Y466	Y391-V446 HydrophobicContact CD1-CG1 4.12Å; Y391-V446 HydrophobicContact CE1-CG1 3.74Å; I395-V446 HydrophobicContact CD1-CG2 3.75Å; V400-V446 HydrophobicContact CG1-CG2 3.83Å; V402-V446 HydrophobicContact CG2-CG1 4.49Å; I441-V446 HydrophobicContact CD1-CB 4.18Å; I441-V446 HydrophobicContact CD1-CG1 4.31Å; I441-V446 HydrophobicContact CD1-CG2 3.67Å; V446-I448 HydrophobicContact CG1-CD1 4.11Å; V446-I448 HydrophobicContact CG1-CG1 4.31Å; V446-C465 CarbonylContact O-C 3.58Å; V446-C465 VanDerWaalsContact O-CA 3.3Å; V446-C465 WeakPolarHBondContact O-CA 3.29Å; V446-Y466 HydrophobicContact CB-CD1 4.36Å; V446-Y466 HydrophobicContact CG2-CD1 3.88Å; V446-Y466 PolarHBondContact N-O 3.05Å; V446-Y466 VanDerWaalsContact N-O 3.1Å; V446-Y466 PolarHBondContact O-N 2.77Å
447	Y	98.3	Very high	88.4	Confident	11 Å²	11	38.1 Å²	38.1	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.7	171.4	-72	-97.3	0	0	0	109.1	G439 T440 Y442 F445 L463 L464 C465 R476 M488 I495 Y519	G439-Y447 CarbonylContact C-O 3.58Å; G439-Y447 WeakPolarHBondContact CA-O 3.43Å; T440-Y447 PolarHBondContact N-O 3.13Å; T440-Y447 PolarHBondContact O-N 2.84Å; Y442-Y447 HydrophobicContact CD1-CE2 4.21Å; Y442-Y447 HydrophobicContact CG-CE2 4.49Å; F445-Y447 HydrophobicContact CB-CD2 4.23Å; F445-Y447 HydrophobicContact CB-CE2 3.64Å; Y447-L463 HydrophobicContact CD1-CD1 4.15Å; Y447-L463 HydrophobicContact CD1-CD2 4.24Å; Y447-L463 HydrophobicContact CD1-CG 4.28Å; Y447-L464 CarbonylContact C-O 3.57Å; Y447-L464 VanDerWaalsContact CA-O 3.29Å; Y447-L464 WeakPolarHBondContact CA-O 3.36Å; Y447-C465 HydrophobicContact CD1-CB 4.03Å; Y447-C465 HydrophobicContact CE1-CB 3.78Å; Y447-C465 VanDerWaalsContact CZ-SG 3.55Å; Y447-R476 HydrophobicContact CE1-CG 4.22Å; Y447-M488 VanDerWaalsContact C-CE 3.45Å; Y447-M488 WeakPolarHBondContact O-CE 3.44Å; Y447-I495 HydrophobicContact CD1-CD1 3.82Å; Y447-I495 HydrophobicContact CD2-CD1 3.52Å; Y447-I495 HydrophobicContact CE1-CD1 4.14Å; Y447-I495 HydrophobicContact CE2-CD1 3.87Å; Y447-I495 HydrophobicContact CG-CD1 3.49Å; Y447-I495 VanDerWaalsContact CG-CD1 3.49Å; Y447-Y519 HydrophobicContact CE1-CE1 4.1Å
448	I	97.9	Very high	87.6	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.4	174.8	-61.6	-59.6	0	0	0	109.1	Y391 V402 H437 A438 V446 L463 L464 W473	Y391-I448 HydrophobicContact CD1-CD1 3.32Å; Y391-I448 HydrophobicContact CE1-CD1 4.03Å; Y391-I448 HydrophobicContact CG-CD1 3.66Å; V402-I448 HydrophobicContact CB-CD1 4.32Å; V402-I448 HydrophobicContact CG1-CD1 4.21Å; V402-I448 HydrophobicContact CG1-CG1 3.97Å; V402-I448 HydrophobicContact CG2-CD1 4.46Å; H437-I448 HydrophobicContact CB-CG2 3.93Å; H437-I448 WeakPolarHBondContact CD2-CG2 3.31Å; A438-I448 CarbonylContact O-C 3.45Å; A438-I448 WeakPolarHBondContact O-CA 3.36Å; V446-I448 HydrophobicContact CG1-CD1 4.11Å; V446-I448 HydrophobicContact CG1-CG1 4.31Å; I448-L463 CarbonylContact O-C 3.44Å; I448-L463 WeakPolarHBondContact O-CA 3.43Å; I448-L464 PolarHBondContact N-O 3.02Å; I448-L464 PolarHBondContact O-N 3.44Å; I448-W473 HydrophobicContact CB-CZ3 4.32Å; I448-W473 HydrophobicContact CG1-CH2 3.77Å; I448-W473 HydrophobicContact CG1-CZ3 3.89Å
449	S	97.2	Very high	87.2	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.5	176.9	66.5	0	0	0	0	112.9	H437 A438 N462 H486 M488	H437-S449 WeakPolarHBondContact CB-O 3.33Å; A438-S449 PolarHBondContact N-O 3.04Å; A438-S449 VanDerWaalsContact N-O 3.13Å; A438-S449 PolarHBondContact O-N 3.14Å; S449-N462 WeakPolarHBondContact CA-O 3.22Å; S449-H486 PolarHBondContact O-CE1 3.43Å; S449-H486 PolarHBondContact O-NE2 2.93Å; S449-H486 PolarHBondContact OG-NE2 3.39Å; S449-M488 PolarHBondContact OG-SD 3.3Å
450	G	95.1	Very high	86.9	Confident	6 Å²	6	43.4 Å²	43.4	6%	0.062	22%	0.217	C	C	.	.			trans	64.9	-142.1	170.8	0	0	0	0	0	114.8	R460 N462 R483	G450-R460 VanDerWaalsContact CA-O 3.27Å; G450-R460 WeakPolarHBondContact CA-O 3.36Å; G450-N462 PolarHBondContact N-O 3.03Å; G450-N462 VanDerWaalsContact N-O 3.12Å; G450-R483 WeakPolarHBondContact CA-O 3.5Å
451	G	92.1	Very high	86.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.			trans	87.6	-177.2	-176.6	0	0	0	0	0	114	Y435 R460 R483	Y435-G451 WeakPolarHBondContact O-CA 3.23Å; G451-R460 PolarHBondContact O-N 2.84Å; G451-R483 PolarHBondContact N-O 2.79Å
452	H	84.9	Confident	86.6	Confident	11 Å²	11	49 Å²	49	5%	0.051	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-134.7	161.1	-169.5	-166.9	-98.9	0	0	0	112.3	T434 Y435 Y454 G457 Y459	T434-H452 WeakPolarHBondContact CA-O 3.42Å; Y435-H452 VanDerWaalsContact CD1-O 3.27Å; Y435-H452 WeakPolarHBondContact CD1-O 3.49Å; Y435-H452 HydrophobicContact CE1-CB 4.18Å; Y435-H452 AromaticContact CE1-ND1 3.92Å; Y435-H452 WeakPolarHBondContact CE1-O 3.44Å; Y435-H452 AromaticContact CZ-ND1 3.67Å; Y435-H452 PolarHBondContact N-O 2.93Å; Y435-H452 VanDerWaalsContact N-O 3.09Å; Y435-H452 PolarHBondContact O-N 3.09Å; Y435-H452 PolarHBondContact OH-ND1 2.96Å; H452-Y454 AromaticContact CE1-CD1 3.37Å; H452-Y454 WeakPolarHBondContact CE1-CD1 3.37Å; H452-Y454 AromaticContact CE1-CE1 3.66Å; H452-Y454 AromaticContact CE1-CG 3.82Å; H452-Y454 AromaticContact ND1-CD1 3.87Å; H452-Y454 AromaticContact ND1-CG 3.95Å; H452-Y454 PolarHBondContact ND1-N 2.99Å; H452-G457 PolarHBondContact NE2-O 3.18Å; H452-Y459 HydrophobicContact CB-CD1 3.9Å; H452-Y459 HydrophobicContact CB-CE1 3.97Å; H452-Y459 AromaticContact CD2-CD1 3.97Å
453	D	81.9	Confident	86.6	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-151.1	102.4	173.3	-179.7	2.6	0	0	0	109.2	F433 Q455 I456 G457 R460	F433-D453 WeakPolarHBondContact O-CB 3.39Å; D453-Q455 PolarHBondContact O-N 3.11Å; D453-Q455 PolarHBondContact OD1-N 3.16Å; D453-I456 PolarHBondContact O-N 3.12Å; D453-I456 VanDerWaalsContact O-N 3.09Å; D453-I456 WeakPolarHBondContact OD2-CD1 3.43Å; D453-I456 WeakPolarHBondContact OD2-CG1 3.48Å; D453-G457 PolarHBondContact O-N 3.15Å; D453-R460 IonicContact OD2-NH2 3.89Å; D453-R460 PolarHBondContact OD2-NH2 2.9Å; D453-R460 VanDerWaalsContact OD2-NH2 3.11Å
454	Y	68	Low	86.9	Confident	159 Å²	159	43.8 Å²	43.8	62%	0.624	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-19.5	-176.6	-79.3	-61.5	0	0	0	113.6	Y435 H452	Y435-Y454 AromaticContact CE1-CD2 3.99Å; Y435-Y454 HydrophobicContact CE1-CD2 3.99Å; Y435-Y454 HydrophobicContact CE1-CE2 4.35Å; Y435-Y454 HydrophobicContact CE2-CE2 4.33Å; Y435-Y454 AromaticContact CZ-CD2 3.7Å; Y435-Y454 AromaticContact CZ-CE2 3.59Å; Y435-Y454 WeakPolarHBondContact OH-CD2 3.35Å; Y435-Y454 WeakPolarHBondContact OH-CE2 3.33Å; H452-Y454 AromaticContact CE1-CD1 3.37Å; H452-Y454 WeakPolarHBondContact CE1-CD1 3.37Å; H452-Y454 AromaticContact CE1-CE1 3.66Å; H452-Y454 AromaticContact CE1-CG 3.82Å; H452-Y454 AromaticContact ND1-CD1 3.87Å; H452-Y454 AromaticContact ND1-CG 3.95Å; H452-Y454 PolarHBondContact ND1-N 2.99Å
455	Q	60.8	Low	87.1	Confident	143 Å²	143	40.7 Å²	40.7	67%	0.668	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-19.6	-178.3	-63.2	-176.6	1.5	0	0	113.5	D453	D453-Q455 PolarHBondContact O-N 3.11Å; D453-Q455 PolarHBondContact OD1-N 3.16Å
456	I	54.3	Low	87.2	Confident	102 Å²	102	38.4 Å²	38.4	52%	0.523	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-22	-161.8	-56.4	-175.4	0	0	0	114.9	D453	D453-I456 PolarHBondContact O-N 3.12Å; D453-I456 VanDerWaalsContact O-N 3.09Å; D453-I456 WeakPolarHBondContact OD2-CD1 3.43Å; D453-I456 WeakPolarHBondContact OD2-CG1 3.48Å
457	G	64.5	Low	87.1	Confident	31 Å²	31	40 Å²	40	32%	0.32	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	153.2	-165	175	0	0	0	0	0	116.1	H452 D453	H452-G457 PolarHBondContact NE2-O 3.18Å; D453-G457 PolarHBondContact O-N 3.15Å
458	P	79.6	Confident	86.9	Confident	95 Å²	95	41 Å²	41	62%	0.617	21%	0.207	S	C	*	.	S	Bend	trans	-67.2	174.2	-172.2	30.6	-37.1	0	0	0	112.7
459	Y	88.3	Confident	86.8	Confident	11 Å²	11	47.1 Å²	47.1	4%	0.043	23%	0.23	C	C	.	.			trans	-52.4	152.3	173.4	-67.4	-80.1	0	0	0	112.7	H452 A482 W485 S501 D502 D503 R510	H452-Y459 HydrophobicContact CB-CD1 3.9Å; H452-Y459 HydrophobicContact CB-CE1 3.97Å; H452-Y459 AromaticContact CD2-CD1 3.97Å; Y459-A482 WeakPolarHBondContact O-CB 3.33Å; Y459-W485 AromaticContact CE1-CE3 3.8Å; Y459-W485 HydrophobicContact CE1-CE3 3.8Å; Y459-W485 AromaticContact CE1-CZ3 3.6Å; Y459-W485 HydrophobicContact CE1-CZ3 3.6Å; Y459-W485 AromaticContact CZ-CZ3 3.76Å; Y459-W485 WeakPolarHBondContact OH-CZ3 3.45Å; Y459-S501 PolarHBondContact OH-OG 3.36Å; Y459-D502 HydrophobicContact CD2-CB 4.43Å; Y459-D502 VanDerWaalsContact CD2-OD1 3.22Å; Y459-D502 WeakPolarHBondContact CD2-OD1 3.4Å; Y459-D503 HydrophobicContact CD2-CB 4.2Å; Y459-D503 HydrophobicContact CE2-CB 3.98Å; Y459-D503 WeakPolarHBondContact CE2-OD1 3.37Å; Y459-D503 WeakPolarHBondContact CE2-OD2 3.39Å; Y459-R510 PolarHBondContact OH-NE 3.15Å; Y459-R510 PolarHBondContact OH-NH2 2.89Å; Y459-R510 VanDerWaalsContact OH-NH2 3.11Å
460	R	90.4	Very high	86.8	Confident	27 Å²	27	51.2 Å²	51.2	10%	0.102	26%	0.255	C	S	.	.			trans	-106.7	158.8	-171.6	-61.8	176.6	-178.6	164.5	0.8	111.4	F433 T434 G450 G451 D453 A482 R483	F433-R460 PolarHBondContact O-NH1 3.19Å; T434-R460 PolarHBondContact OG1-NH1 3.45Å; T434-R460 VanDerWaalsContact OG1-NH1 3.16Å; G450-R460 VanDerWaalsContact CA-O 3.27Å; G450-R460 WeakPolarHBondContact CA-O 3.36Å; G451-R460 PolarHBondContact O-N 2.84Å; D453-R460 IonicContact OD2-NH2 3.89Å; D453-R460 PolarHBondContact OD2-NH2 2.9Å; D453-R460 VanDerWaalsContact OD2-NH2 3.11Å; R460-A482 WeakPolarHBondContact O-CA 3.39Å; R460-R483 PolarHBondContact O-N 2.95Å
461	K	94.3	Very high	86.8	Confident	105 Å²	105	54.3 Å²	54.3	46%	0.457	27%	0.27	S	S	.	.			trans	-116.9	-3.7	173.6	61	175.9	-179.4	-176	0	113.5	P478 M479 A482	K461-P478 HydrophobicContact CB-CB 4.34Å; K461-P478 HydrophobicContact CD-CB 4.14Å; K461-P478 HydrophobicContact CG-CB 3.87Å; K461-P478 CarbonylContact O-C 3.31Å; K461-P478 WeakPolarHBondContact O-CA 3.49Å; K461-P478 VanDerWaalsContact O-CB 3.29Å; K461-P478 WeakPolarHBondContact O-CB 3.26Å; K461-M479 HydrophobicContact CB-CB 4.29Å; K461-M479 WeakPolarHBondContact CD-O 3.26Å; K461-M479 PolarHBondContact O-N 3.45Å; K461-A482 HydrophobicContact CB-CB 4.46Å
462	N	95.1	Very high	87.1	Confident	63 Å²	63	57.6 Å²	57.6	34%	0.337	29%	0.29	S	S	.	.			trans	-60.3	145.7	-176.5	-55.1	80.3	0	0	0	110.7	S449 G450 E475	S449-N462 WeakPolarHBondContact CA-O 3.22Å; G450-N462 PolarHBondContact N-O 3.03Å; G450-N462 VanDerWaalsContact N-O 3.12Å; N462-E475 PolarHBondContact ND2-OE1 2.83Å
463	L	97.6	Very high	87.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.7	170.4	178.3	69.1	0	0	0	107.1	Y447 I448 R476 R477 Y519 W526	Y447-L463 HydrophobicContact CD1-CD1 4.15Å; Y447-L463 HydrophobicContact CD1-CD2 4.24Å; Y447-L463 HydrophobicContact CD1-CG 4.28Å; I448-L463 CarbonylContact O-C 3.44Å; I448-L463 WeakPolarHBondContact O-CA 3.43Å; L463-R476 HydrophobicContact CB-CB 4.17Å; L463-R476 HydrophobicContact CD2-CB 3.63Å; L463-R476 HydrophobicContact CD2-CG 4.39Å; L463-R476 HydrophobicContact CG-CB 3.9Å; L463-R476 PolarHBondContact O-N 3.34Å; L463-R477 WeakPolarHBondContact CB-O 3.45Å; L463-Y519 HydrophobicContact CD2-CD1 3.8Å; L463-Y519 HydrophobicContact CD2-CD2 3.98Å; L463-Y519 HydrophobicContact CD2-CE1 3.63Å; L463-Y519 HydrophobicContact CD2-CE2 3.82Å; L463-Y519 HydrophobicContact CD2-CG 3.97Å; L463-W526 HydrophobicContact CB-CZ2 4.37Å; L463-W526 HydrophobicContact CD1-CZ2 4.22Å; L463-W526 HydrophobicContact CD2-CZ2 3.8Å; L463-W526 HydrophobicContact CG-CZ2 4.36Å
464	L	97.7	Very high	88.4	Confident	28 Å²	28	63 Å²	63	15%	0.147	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.9	177.2	-61.6	175.9	0	0	0	109.4	L430 Y447 I448 W473 E474 E475	L430-L464 HydrophobicContact CD2-CD1 3.91Å; Y447-L464 CarbonylContact C-O 3.57Å; Y447-L464 VanDerWaalsContact CA-O 3.29Å; Y447-L464 WeakPolarHBondContact CA-O 3.36Å; I448-L464 PolarHBondContact N-O 3.02Å; I448-L464 PolarHBondContact O-N 3.44Å; L464-W473 HydrophobicContact CB-CE3 3.66Å; L464-W473 HydrophobicContact CB-CZ3 3.95Å; L464-E474 CarbonylContact C-O 3.5Å; L464-E474 WeakPolarHBondContact CA-O 3.37Å; L464-E475 HydrophobicContact CD2-CB 4.24Å; L464-E475 HydrophobicContact CD2-CG 4.39Å
465	C	97.7	Very high	89.8	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.02	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.8	179.1	178.9	0	0	0	0	108.7	V446 Y447 W473 E474 R476	V446-C465 CarbonylContact O-C 3.58Å; V446-C465 VanDerWaalsContact O-CA 3.3Å; V446-C465 WeakPolarHBondContact O-CA 3.29Å; Y447-C465 HydrophobicContact CD1-CB 4.03Å; Y447-C465 HydrophobicContact CE1-CB 3.78Å; Y447-C465 VanDerWaalsContact CZ-SG 3.55Å; C465-W473 CarbonylContact O-C 3.57Å; C465-W473 WeakPolarHBondContact O-CA 3.49Å; C465-E474 PolarHBondContact N-O 3.43Å; C465-E474 PolarHBondContact O-N 3.17Å; C465-R476 HydrophobicContact CB-CG 3.79Å
466	Y	97.8	Very high	91.5	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.6	178.2	176.4	-114.5	0	0	0	110.7	V427 A428 F445 V446 H468 D471 V472 W473	V427-Y466 WeakPolarHBondContact CB-OH 3.12Å; V427-Y466 WeakPolarHBondContact CG2-OH 3.5Å; A428-Y466 HydrophobicContact CB-CE2 4.22Å; F445-Y466 WeakPolarHBondContact CA-O 3.45Å; V446-Y466 HydrophobicContact CB-CD1 4.36Å; V446-Y466 HydrophobicContact CG2-CD1 3.88Å; V446-Y466 PolarHBondContact N-O 3.05Å; V446-Y466 VanDerWaalsContact N-O 3.1Å; V446-Y466 PolarHBondContact O-N 2.77Å; Y466-H468 HydrophobicContact CD1-CB 4.42Å; Y466-H468 HydrophobicContact CE1-CB 3.73Å; Y466-D471 PolarHBondContact OH-OD1 2.75Å; Y466-V472 WeakPolarHBondContact CA-O 3.43Å; Y466-V472 WeakPolarHBondContact CD2-O 3.25Å; Y466-W473 AromaticContact CD2-CD1 3.84Å; Y466-W473 AromaticContact CD2-CD2 3.97Å; Y466-W473 HydrophobicContact CD2-CD2 3.97Å; Y466-W473 AromaticContact CD2-CE2 3.64Å; Y466-W473 HydrophobicContact CD2-CG 4.1Å; Y466-W473 HydrophobicContact CD2-CZ2 4.11Å; Y466-W473 AromaticContact CD2-NE1 3.53Å; Y466-W473 HydrophobicContact CG-CD2 4.19Å; Y466-W473 AromaticContact CG-CE2 3.84Å; Y466-W473 HydrophobicContact CG-CH2 4.26Å; Y466-W473 AromaticContact CG-CZ2 3.87Å; Y466-W473 HydrophobicContact CG-CZ2 3.87Å
467	D	96.4	Very high	93.6	Very high	33 Å²	33	60.2 Å²	60.2	18%	0.176	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.8	167.8	-173.2	-17.4	0	0	0	109.1	F445 R469 T470 D471 V472	F445-D467 HydrophobicContact CD1-CB 3.86Å; F445-D467 HydrophobicContact CE1-CB 3.65Å; F445-D467 WeakPolarHBondContact CE1-OD2 3.48Å; D467-R469 PolarHBondContact O-N 3.39Å; D467-R469 VanDerWaalsContact OD1-CB 3.28Å; D467-R469 WeakPolarHBondContact OD1-CB 3.11Å; D467-R469 PolarHBondContact OD1-N 3.04Å; D467-T470 WeakPolarHBondContact CB-OG1 3.47Å; D467-D471 WeakPolarHBondContact O-CA 3.28Å; D467-D471 PolarHBondContact O-N 2.78Å; D467-V472 PolarHBondContact N-O 3.17Å; D467-V472 VanDerWaalsContact N-O 3.08Å; D467-V472 PolarHBondContact O-N 2.84Å
468	H	93.9	Very high	95.2	Very high	33 Å²	33	61.3 Å²	61.3	15%	0.153	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.1	-179.7	75.2	87	0	0	0	113.6	I395 E396 Y466	I395-H468 HydrophobicContact CD1-CB 4Å; I395-H468 WeakPolarHBondContact CD1-CD2 3.34Å; E396-H468 IonicContact OE1-CE1 2.81Å; E396-H468 PolarHBondContact OE1-CE1 2.95Å; E396-H468 VanDerWaalsContact OE1-CE1 3.26Å; E396-H468 IonicContact OE1-NE2 3.94Å; E396-H468 PolarHBondContact OE1-NE2 3.36Å; E396-H468 IonicContact OE2-CE1 3.46Å; E396-H468 PolarHBondContact OE2-CE1 2.92Å; E396-H468 IonicContact OE2-NE2 3.54Å; Y466-H468 HydrophobicContact CD1-CB 4.42Å; Y466-H468 HydrophobicContact CE1-CB 3.73Å
469	R	95.3	Very high	96	Very high	133 Å²	133	57 Å²	57	50%	0.502	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-36.2	-179.1	-56.4	177.8	179.4	117.9	0.6	110.8	E396 D444 D467	E396-R469 IonicContact OE1-CZ 3.78Å; E396-R469 IonicContact OE1-NE 3.56Å; E396-R469 PolarHBondContact OE1-NE 2.87Å; E396-R469 IonicContact OE1-NH2 3.58Å; E396-R469 PolarHBondContact OE1-NH2 2.92Å; D444-R469 IonicContact OD2-CZ 3.6Å; D444-R469 IonicContact OD2-NH2 2.8Å; D444-R469 PolarHBondContact OD2-NH2 2.78Å; D467-R469 PolarHBondContact O-N 3.39Å; D467-R469 VanDerWaalsContact OD1-CB 3.28Å; D467-R469 WeakPolarHBondContact OD1-CB 3.11Å; D467-R469 PolarHBondContact OD1-N 3.04Å
470	T	96.5	Very high	96.2	Very high	87 Å²	87	60.1 Å²	60.1	53%	0.534	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-11.9	176.2	63.1	0	0	0	0	113.2	D467	D467-T470 WeakPolarHBondContact CB-OG1 3.47Å
471	D	96.7	Very high	96.3	Very high	72 Å²	72	60.9 Å²	60.9	39%	0.385	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	49.7	-176	-166.7	26	0	0	0	112.4	V427 A428 Y466 D467	V427-D471 WeakPolarHBondContact CB-OD1 3.41Å; A428-D471 VanDerWaalsContact CB-O 3.24Å; A428-D471 WeakPolarHBondContact CB-O 3.43Å; A428-D471 WeakPolarHBondContact CB-OD1 3.18Å; A428-D471 PolarHBondContact N-OD1 3.06Å; Y466-D471 PolarHBondContact OH-OD1 2.75Å; D467-D471 WeakPolarHBondContact O-CA 3.28Å; D467-D471 PolarHBondContact O-N 2.78Å
472	V	96.8	Very high	96.3	Very high	68 Å²	68	56.9 Å²	56.9	41%	0.412	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.6	-175.2	173.8	0	0	0	0	111.4	Y466 D467	Y466-V472 WeakPolarHBondContact CA-O 3.43Å; Y466-V472 WeakPolarHBondContact CD2-O 3.25Å; D467-V472 PolarHBondContact N-O 3.17Å; D467-V472 VanDerWaalsContact N-O 3.08Å; D467-V472 PolarHBondContact O-N 2.84Å
473	W	97.9	Very high	96.2	Very high	31 Å²	31	53.9 Å²	53.9	12%	0.117	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128	168.7	-70.3	91.6	0	0	0	111.2	V402 V414 A428 G429 L430 I448 L464 C465 Y466	V402-W473 HydrophobicContact CG1-CH2 3.91Å; V402-W473 HydrophobicContact CG1-CZ2 4.04Å; V402-W473 HydrophobicContact CG2-CH2 4.21Å; V402-W473 HydrophobicContact CG2-CZ2 4.31Å; V414-W473 HydrophobicContact CG2-CZ2 3.91Å; A428-W473 PolarHBondContact O-NE1 3.24Å; G429-W473 VanDerWaalsContact O-CD1 3.28Å; L430-W473 HydrophobicContact CD2-CD2 4.06Å; L430-W473 HydrophobicContact CD2-CE3 4.12Å; L430-W473 HydrophobicContact CD2-CH2 3.78Å; L430-W473 HydrophobicContact CD2-CZ2 3.71Å; L430-W473 HydrophobicContact CD2-CZ3 3.97Å; I448-W473 HydrophobicContact CB-CZ3 4.32Å; I448-W473 HydrophobicContact CG1-CH2 3.77Å; I448-W473 HydrophobicContact CG1-CZ3 3.89Å; L464-W473 HydrophobicContact CB-CE3 3.66Å; L464-W473 HydrophobicContact CB-CZ3 3.95Å; C465-W473 CarbonylContact O-C 3.57Å; C465-W473 WeakPolarHBondContact O-CA 3.49Å; Y466-W473 AromaticContact CD2-CD1 3.84Å; Y466-W473 AromaticContact CD2-CD2 3.97Å; Y466-W473 HydrophobicContact CD2-CD2 3.97Å; Y466-W473 AromaticContact CD2-CE2 3.64Å; Y466-W473 HydrophobicContact CD2-CG 4.1Å; Y466-W473 HydrophobicContact CD2-CZ2 4.11Å; Y466-W473 AromaticContact CD2-NE1 3.53Å; Y466-W473 HydrophobicContact CG-CD2 4.19Å; Y466-W473 AromaticContact CG-CE2 3.84Å; Y466-W473 HydrophobicContact CG-CH2 4.26Å; Y466-W473 AromaticContact CG-CZ2 3.87Å; Y466-W473 HydrophobicContact CG-CZ2 3.87Å
474	E	97	Very high	96	Very high	96 Å²	96	53.9 Å²	53.9	45%	0.449	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.7	173.3	-64.7	-171.1	167.9	0	0	111.1	L464 C465 R476	L464-E474 CarbonylContact C-O 3.5Å; L464-E474 WeakPolarHBondContact CA-O 3.37Å; C465-E474 PolarHBondContact N-O 3.43Å; C465-E474 PolarHBondContact O-N 3.17Å; E474-R476 IonicContact OE2-CZ 2.74Å; E474-R476 IonicContact OE2-NH1 2.76Å; E474-R476 PolarHBondContact OE2-NH1 3.13Å; E474-R476 IonicContact OE2-NH2 2.79Å; E474-R476 PolarHBondContact OE2-NH2 3.34Å
475	E	97.1	Very high	95.8	Very high	121 Å²	121	53.8 Å²	53.8	57%	0.565	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.6	171.7	-169.3	167	-164.1	0	0	110.8	N462 L464	N462-E475 PolarHBondContact ND2-OE1 2.83Å; L464-E475 HydrophobicContact CD2-CB 4.24Å; L464-E475 HydrophobicContact CD2-CG 4.39Å
476	R	97.5	Very high	95.8	Very high	68 Å²	68	54.1 Å²	54.1	26%	0.257	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	178.2	174.8	-62.7	-62.5	-171.7	-141.4	-8.9	109.8	Y447 L463 C465 E474	Y447-R476 HydrophobicContact CE1-CG 4.22Å; L463-R476 HydrophobicContact CB-CB 4.17Å; L463-R476 HydrophobicContact CD2-CB 3.63Å; L463-R476 HydrophobicContact CD2-CG 4.39Å; L463-R476 HydrophobicContact CG-CB 3.9Å; L463-R476 PolarHBondContact O-N 3.34Å; C465-R476 HydrophobicContact CB-CG 3.79Å; E474-R476 IonicContact OE2-CZ 2.74Å; E474-R476 IonicContact OE2-NH1 2.76Å; E474-R476 PolarHBondContact OE2-NH1 3.13Å; E474-R476 IonicContact OE2-NH2 2.79Å; E474-R476 PolarHBondContact OE2-NH2 3.34Å
477	R	97.6	Very high	95.7	Very high	155 Å²	155	54.2 Å²	54.2	59%	0.585	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-59.9	130.7	179.3	-79.8	-145.9	-164.7	-146.5	-0.6	110.9	L463 Y519 N524 W526	L463-R477 WeakPolarHBondContact CB-O 3.45Å; R477-Y519 HydrophobicContact CB-CE2 4.47Å; R477-N524 VanDerWaalsContact CB-OD1 3.29Å; R477-N524 WeakPolarHBondContact CB-OD1 3.24Å; R477-N524 WeakPolarHBondContact CD-O 3.25Å; R477-N524 WeakPolarHBondContact CG-O 3.45Å; R477-N524 WeakPolarHBondContact CG-OD1 3.5Å; R477-N524 PolarHBondContact N-OD1 3.25Å; R477-N524 PolarHBondContact NE-O 2.86Å; R477-W526 PolarHBondContact O-NE1 2.79Å
478	P	97.3	Very high	95.8	Very high	54 Å²	54	53 Å²	53	35%	0.351	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-68.3	154.2	178.2	28.7	-34.6	0	0	0	111	K461 W526	K461-P478 HydrophobicContact CB-CB 4.34Å; K461-P478 HydrophobicContact CD-CB 4.14Å; K461-P478 HydrophobicContact CG-CB 3.87Å; K461-P478 CarbonylContact O-C 3.31Å; K461-P478 WeakPolarHBondContact O-CA 3.49Å; K461-P478 VanDerWaalsContact O-CB 3.29Å; K461-P478 WeakPolarHBondContact O-CB 3.26Å; P478-W526 PolarHBondContact O-NE1 3.39Å
479	M	96.4	Very high	96	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.02	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-58.4	161.8	169.2	-65.6	179.7	-63.3	0	0	111.2	K461 R483 S497 W526	K461-M479 HydrophobicContact CB-CB 4.29Å; K461-M479 WeakPolarHBondContact CD-O 3.26Å; K461-M479 PolarHBondContact O-N 3.45Å; M479-R483 HydrophobicContact CE-CG 3.53Å; M479-R483 HydrophobicContact SD-CG 4.06Å; M479-R483 PolarHBondContact SD-NE 2.88Å; M479-S497 PolarHBondContact SD-OG 3.07Å; M479-W526 HydrophobicContact CB-CZ2 4.46Å; M479-W526 HydrophobicContact CG-CD2 4.22Å; M479-W526 HydrophobicContact CG-CE3 4.42Å; M479-W526 HydrophobicContact CG-CH2 3.61Å; M479-W526 HydrophobicContact CG-CZ2 3.33Å; M479-W526 HydrophobicContact CG-CZ3 4.15Å; M479-W526 HydrophobicContact SD-CH2 4.17Å; M479-W526 HydrophobicContact SD-CZ2 4.39Å
480	T	94.2	Very high	96.1	Very high	78 Å²	78	47.4 Å²	47.4	48%	0.479	25%	0.245	S	C	.	.	S	Bend	trans	-72.1	-42.5	174.1	-45.7	0	0	0	0	111	E517	T480-E517 WeakPolarHBondContact CB-OE2 3.18Å; T480-E517 PolarHBondContact N-OE1 2.97Å; T480-E517 PolarHBondContact N-OE2 2.72Å; T480-E517 PolarHBondContact OG1-OE2 3.07Å
481	T	91.8	Very high	96.1	Very high	43 Å²	43	44 Å²	44	26%	0.264	22%	0.223	S	C	.	.	S	Bend	trans	-111.6	135.4	-176.9	-55	0	0	0	0	110.6	V513 E517	T481-V513 HydrophobicContact CG2-CG1 4.3Å; T481-V513 HydrophobicContact CG2-CG2 4.49Å; T481-E517 PolarHBondContact N-OE1 3.14Å
482	A	93.1	Very high	96	Very high	20 Å²	20	43 Å²	43	17%	0.165	23%	0.23	C	C	.	.			trans	-71.2	145.2	171.6	0	0	0	0	0	109.8	Y459 R460 K461	Y459-A482 WeakPolarHBondContact O-CB 3.33Å; R460-A482 WeakPolarHBondContact O-CA 3.39Å; K461-A482 HydrophobicContact CB-CB 4.46Å
483	R	94.1	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.			trans	-159.8	148.7	-176.2	53.4	-179.6	91.5	-135.8	10.1	112	G450 G451 R460 M479 H486 S497 G499 S501 G515 E517	G450-R483 WeakPolarHBondContact CA-O 3.5Å; G451-R483 PolarHBondContact N-O 2.79Å; R460-R483 PolarHBondContact O-N 2.95Å; M479-R483 HydrophobicContact CE-CG 3.53Å; M479-R483 HydrophobicContact SD-CG 4.06Å; M479-R483 PolarHBondContact SD-NE 2.88Å; R483-H486 HydrophobicContact CB-CB 4.38Å; R483-H486 VanDerWaalsContact CD-CD2 3.4Å; R483-H486 WeakPolarHBondContact CD-CD2 3.2Å; R483-H486 HydrophobicContact CG-CB 4.24Å; R483-S497 VanDerWaalsContact CD-OG 3.25Å; R483-S497 WeakPolarHBondContact CD-OG 3.41Å; R483-S497 PolarHBondContact NE-OG 3.3Å; R483-G499 PolarHBondContact NH1-O 3.36Å; R483-S501 CarbonylContact C-O 3.58Å; R483-S501 WeakPolarHBondContact CA-O 3.05Å; R483-G515 PolarHBondContact NH1-O 3.11Å; R483-G515 PolarHBondContact NH2-O 3.44Å; R483-E517 IonicContact CZ-OE1 3.47Å; R483-E517 IonicContact NH2-OE1 2.71Å; R483-E517 PolarHBondContact NH2-OE1 3.43Å
484	G	93.6	Very high	95.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-133.6	162.9	164.1	0	0	0	0	0	111.3	G436 H486 G500 S501	G436-G484 CarbonylContact O-C 3.53Å; G436-G484 WeakPolarHBondContact O-CA 3.46Å; G484-H486 PolarHBondContact O-N 2.96Å; G484-G500 WeakPolarHBondContact O-CA 3.44Å; G484-S501 PolarHBondContact N-O 3.02Å; G484-S501 PolarHBondContact O-N 3.27Å; G484-S501 PolarHBondContact O-OG 2.85Å
485	W	93.7	Very high	95.9	Very high	26 Å²	26	39 Å²	39	10%	0.098	21%	0.214	C	C	.	.	S	Bend	trans	52.7	25	-173.5	-66.1	-82.6	0	0	0	113.8	D389 Y435 G436 Y459 S537 E538	D389-W485 PolarHBondContact OD1-NE1 2.92Å; Y435-W485 HydrophobicContact CD2-CZ2 4.28Å; Y435-W485 AromaticContact CE2-CH2 3.76Å; Y435-W485 HydrophobicContact CE2-CH2 3.76Å; Y435-W485 AromaticContact CE2-CZ2 3.7Å; Y435-W485 HydrophobicContact CE2-CZ2 3.7Å; G436-W485 PolarHBondContact O-N 2.82Å; Y459-W485 AromaticContact CE1-CE3 3.8Å; Y459-W485 HydrophobicContact CE1-CE3 3.8Å; Y459-W485 AromaticContact CE1-CZ3 3.6Å; Y459-W485 HydrophobicContact CE1-CZ3 3.6Å; Y459-W485 AromaticContact CZ-CZ3 3.76Å; Y459-W485 WeakPolarHBondContact OH-CZ3 3.45Å; W485-S537 WeakPolarHBondContact O-CA 3.27Å; W485-E538 HydrophobicContact CB-CG 4.01Å; W485-E538 VanDerWaalsContact CD1-CG 3.5Å; W485-E538 HydrophobicContact CG-CG 3.95Å; W485-E538 PolarHBondContact O-N 3.43Å
486	H	96.6	Very high	96	Very high	11 Å²	11	33.7 Å²	33.7	5%	0.051	19%	0.189	C	C	.	.			trans	-80.7	170.8	172.2	64.1	-72.1	0	0	0	111.2	A438 S449 R483 G484 S497 G499	A438-H486 VanDerWaalsContact CB-CD2 3.45Å; A438-H486 WeakPolarHBondContact CB-CD2 3.45Å; A438-H486 VanDerWaalsContact CB-NE2 3.32Å; A438-H486 WeakPolarHBondContact CB-NE2 3.36Å; A438-H486 VanDerWaalsContact CB-O 3.28Å; A438-H486 WeakPolarHBondContact CB-O 3.48Å; S449-H486 PolarHBondContact O-CE1 3.43Å; S449-H486 PolarHBondContact O-NE2 2.93Å; S449-H486 PolarHBondContact OG-NE2 3.39Å; R483-H486 HydrophobicContact CB-CB 4.38Å; R483-H486 VanDerWaalsContact CD-CD2 3.4Å; R483-H486 WeakPolarHBondContact CD-CD2 3.2Å; R483-H486 HydrophobicContact CG-CB 4.24Å; G484-H486 PolarHBondContact O-N 2.96Å; H486-S497 PolarHBondContact CD2-OG 2.96Å; H486-G499 WeakPolarHBondContact CB-O 3.27Å
487	S	97.3	Very high	96	Very high	5 Å²	5	30.5 Å²	30.5	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.7	171.9	-79.3	0	0	0	0	110.8	I498 S539	S487-I498 PolarHBondContact N-O 2.97Å; S487-I498 PolarHBondContact O-N 2.88Å; S487-S539 PolarHBondContact OG-OG 2.96Å
488	M	97.7	Very high	96.1	Very high	7 Å²	7	23.1 Å²	23.1	3%	0.034	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.7	171	-165.3	164.3	81.3	0	0	110.7	A438 G439 T440 Y447 S449 I495 Y496	A438-M488 HydrophobicContact CB-CB 3.61Å; A438-M488 WeakPolarHBondContact O-CE 3.48Å; G439-M488 VanDerWaalsContact C-CE 3.49Å; G439-M488 VanDerWaalsContact CA-CE 3.49Å; G439-M488 VanDerWaalsContact O-O 3.12Å; T440-M488 HydrophobicContact CG2-CE 4.03Å; T440-M488 HydrophobicContact CG2-CG 4.22Å; T440-M488 VanDerWaalsContact N-CE 3.32Å; Y447-M488 VanDerWaalsContact C-CE 3.45Å; Y447-M488 WeakPolarHBondContact O-CE 3.44Å; S449-M488 PolarHBondContact OG-SD 3.3Å; M488-I495 HydrophobicContact CE-CG2 4.31Å; M488-I495 HydrophobicContact CG-CG2 3.7Å; M488-I495 HydrophobicContact SD-CG2 3.75Å; M488-Y496 WeakPolarHBondContact CA-O 3.43Å; M488-Y496 VanDerWaalsContact CG-O 3.29Å; M488-Y496 WeakPolarHBondContact CG-O 3.35Å
489	C	97.8	Very high	96	Very high	8 Å²	8	20.5 Å²	20.5	5%	0.054	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	156.8	177.1	65.3	0	0	0	0	112.1	T440 Y496 V541 V543 I548	T440-C489 WeakPolarHBondContact OG1-CA 3.23Å; C489-Y496 PolarHBondContact N-O 2.71Å; C489-Y496 VanDerWaalsContact N-O 3.11Å; C489-Y496 PolarHBondContact O-N 3.14Å; C489-V541 HydrophobicContact CB-CG2 3.87Å; C489-V543 HydrophobicContact CB-CG2 3.99Å; C489-I548 WeakPolarHBondContact SG-CG2 3.46Å
490	S	97.5	Very high	95.9	Very high	42 Å²	42	20.3 Å²	20.3	29%	0.294	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.2	173.2	59.7	0	0	0	0	110.8	T440 I441 S494	T440-S490 PolarHBondContact OG1-N 3.12Å; I441-S490 WeakPolarHBondContact O-CB 3.47Å; I441-S490 PolarHBondContact O-OG 3.06Å; I441-S490 VanDerWaalsContact O-OG 3.11Å; S490-S494 WeakPolarHBondContact CA-O 3.33Å
491	L	97.1	Very high	95.9	Very high	15 Å²	15	16.6 Å²	16.6	8%	0.079	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	115.8	171.9	173.2	64.7	0	0	0	109.9	D493 S494 Y496 V543 G546 I548 R570	L491-D493 PolarHBondContact O-N 3.42Å; L491-S494 PolarHBondContact N-O 2.85Å; L491-S494 PolarHBondContact O-N 2.82Å; L491-Y496 HydrophobicContact CB-CD2 4.19Å; L491-Y496 HydrophobicContact CB-CE2 3.86Å; L491-V543 HydrophobicContact CD1-CG1 3.71Å; L491-G546 WeakPolarHBondContact CD1-O 3.33Å; L491-I548 HydrophobicContact CB-CD1 4.34Å; L491-I548 HydrophobicContact CB-CG1 4.29Å; L491-I548 HydrophobicContact CD2-CD1 4.12Å; L491-I548 HydrophobicContact CD2-CG1 3.75Å; L491-R570 HydrophobicContact CD2-CB 4.09Å
492	G	94.4	Very high	95.9	Very high	50 Å²	50	15.7 Å²	15.7	52%	0.515	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	-127.7	-171.8	0	0	0	0	0	111.5
493	D	94.5	Very high	95.6	Very high	80 Å²	80	16.5 Å²	16.5	43%	0.428	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	12	-179.1	-84.1	-51.7	0	0	0	114.8	Y442 K443 L491 P521	Y442-D493 PolarHBondContact OH-OD1 2.96Å; K443-D493 IonicContact NZ-OD1 3.8Å; K443-D493 PolarHBondContact NZ-OD1 2.76Å; L491-D493 PolarHBondContact O-N 3.42Å; D493-P521 WeakPolarHBondContact O-CD 3.3Å
494	S	97.3	Very high	95.1	Very high	33 Å²	33	19.9 Å²	19.9	23%	0.231	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.2	-174.7	-62	0	0	0	0	112.5	S490 L491 Y519	S490-S494 WeakPolarHBondContact CA-O 3.33Å; L491-S494 PolarHBondContact N-O 2.85Å; L491-S494 PolarHBondContact O-N 2.82Å; S494-Y519 WeakPolarHBondContact CA-O 3.42Å
495	I	98.4	Very high	94.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.8	172.9	-63.6	174.1	0	0	0	108.6	T440 Y442 Y447 M488 A518 Y519 P521	T440-I495 HydrophobicContact CG2-CB 4.28Å; T440-I495 HydrophobicContact CG2-CD1 4.06Å; T440-I495 HydrophobicContact CG2-CG1 3.9Å; T440-I495 HydrophobicContact CG2-CG2 3.57Å; Y442-I495 HydrophobicContact CG-CD1 4.26Å; Y442-I495 HydrophobicContact CG-CG1 4.37Å; Y447-I495 HydrophobicContact CD1-CD1 3.82Å; Y447-I495 HydrophobicContact CD2-CD1 3.52Å; Y447-I495 HydrophobicContact CE1-CD1 4.14Å; Y447-I495 HydrophobicContact CE2-CD1 3.87Å; Y447-I495 HydrophobicContact CG-CD1 3.49Å; Y447-I495 VanDerWaalsContact CG-CD1 3.49Å; M488-I495 HydrophobicContact CE-CG2 4.31Å; M488-I495 HydrophobicContact CG-CG2 3.7Å; M488-I495 HydrophobicContact SD-CG2 3.75Å; I495-A518 CarbonylContact O-C 3.53Å; I495-A518 WeakPolarHBondContact O-CA 3.29Å; I495-Y519 HydrophobicContact CB-CD1 4.38Å; I495-Y519 HydrophobicContact CD1-CD1 4.19Å; I495-Y519 PolarHBondContact N-O 2.88Å; I495-Y519 PolarHBondContact O-N 2.84Å; I495-P521 HydrophobicContact CD1-CG 4.09Å; I495-P521 HydrophobicContact CG1-CG 4.41Å
496	Y	98.4	Very high	93.8	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.035	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.6	-176.6	-67.9	-98.7	0	0	0	110.5	M488 C489 L491 V516 E517 A518 V529 I548 Y568	M488-Y496 WeakPolarHBondContact CA-O 3.43Å; M488-Y496 VanDerWaalsContact CG-O 3.29Å; M488-Y496 WeakPolarHBondContact CG-O 3.35Å; C489-Y496 PolarHBondContact N-O 2.71Å; C489-Y496 VanDerWaalsContact N-O 3.11Å; C489-Y496 PolarHBondContact O-N 3.14Å; L491-Y496 HydrophobicContact CB-CD2 4.19Å; L491-Y496 HydrophobicContact CB-CE2 3.86Å; Y496-V516 HydrophobicContact CD1-CG1 4.45Å; Y496-E517 CarbonylContact C-O 3.48Å; Y496-E517 WeakPolarHBondContact CA-O 3.4Å; Y496-A518 HydrophobicContact CD1-CB 3.89Å; Y496-A518 HydrophobicContact CE1-CB 3.68Å; Y496-V529 HydrophobicContact CD1-CG2 4.37Å; Y496-V529 HydrophobicContact CE1-CG2 4.39Å; Y496-I548 HydrophobicContact CD1-CD1 4.04Å; Y496-I548 HydrophobicContact CD2-CD1 3.76Å; Y496-I548 HydrophobicContact CE1-CD1 4.48Å; Y496-I548 HydrophobicContact CE2-CD1 4.25Å; Y496-I548 HydrophobicContact CG-CD1 3.65Å; Y496-Y568 HydrophobicContact CD1-CE1 4.43Å; Y496-Y568 AromaticContact CE1-CE1 3.76Å; Y496-Y568 HydrophobicContact CE1-CE1 3.76Å
497	S	98.1	Very high	93	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.9	170.1	-172.4	0	0	0	0	109.3	M479 R483 H486 V516 E517	M479-S497 PolarHBondContact SD-OG 3.07Å; R483-S497 VanDerWaalsContact CD-OG 3.25Å; R483-S497 WeakPolarHBondContact CD-OG 3.41Å; R483-S497 PolarHBondContact NE-OG 3.3Å; H486-S497 PolarHBondContact CD2-OG 2.96Å; S497-V516 WeakPolarHBondContact O-CA 3.09Å; S497-E517 PolarHBondContact N-O 2.88Å; S497-E517 PolarHBondContact O-N 3.05Å
498	I	98	Very high	92.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	106.3	-158.8	-56.5	162.7	0	0	0	110	S487 V516 L532 N536 I548 I550 W575	S487-I498 PolarHBondContact N-O 2.97Å; S487-I498 PolarHBondContact O-N 2.88Å; I498-V516 HydrophobicContact CB-CG1 4.47Å; I498-V516 HydrophobicContact CG1-CG1 3.83Å; I498-V516 HydrophobicContact CG2-CG2 4.13Å; I498-L532 HydrophobicContact CG2-CD1 3.87Å; I498-L532 HydrophobicContact CG2-CD2 3.87Å; I498-L532 HydrophobicContact CG2-CG 4.08Å; I498-N536 PolarHBondContact O-ND2 2.98Å; I498-I548 HydrophobicContact CD1-CD1 4.28Å; I498-I548 HydrophobicContact CD1-CG2 3.75Å; I498-I550 HydrophobicContact CB-CD1 4.39Å; I498-I550 HydrophobicContact CD1-CD1 4.15Å; I498-I550 HydrophobicContact CG2-CD1 3.82Å; I498-I550 HydrophobicContact CG2-CG1 3.97Å; I498-W575 HydrophobicContact CD1-CH2 4.43Å; I498-W575 HydrophobicContact CG2-CH2 3.95Å; I498-W575 HydrophobicContact CG2-CZ2 4.02Å
499	G	96.1	Very high	91.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.277	C	S	.	.			trans	62.4	-131.5	171.1	0	0	0	0	0	115.5	R483 H486 V513 N536	R483-G499 PolarHBondContact NH1-O 3.36Å; H486-G499 WeakPolarHBondContact CB-O 3.27Å; G499-V513 CarbonylContact C-O 3.48Å; G499-V513 WeakPolarHBondContact CA-O 3.49Å; G499-N536 WeakPolarHBondContact CA-OD1 3.43Å
500	G	94.6	Very high	91.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.284	C	S	.	.			trans	91.3	-150.7	-173.8	0	0	0	0	0	113.7	G484 V513 N536 S537	G484-G500 WeakPolarHBondContact O-CA 3.44Å; G500-V513 PolarHBondContact O-N 2.83Å; G500-N536 PolarHBondContact N-OD1 3.11Å; G500-N536 VanDerWaalsContact N-OD1 3.16Å; G500-S537 VanDerWaalsContact C-OG 3.26Å; G500-S537 PolarHBondContact O-OG 3.17Å
501	S	93.1	Very high	90.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.7	-179.2	57.7	0	0	0	0	112	Y459 R483 G484 F511	Y459-S501 PolarHBondContact OH-OG 3.36Å; R483-S501 CarbonylContact C-O 3.58Å; R483-S501 WeakPolarHBondContact CA-O 3.05Å; G484-S501 PolarHBondContact N-O 3.02Å; G484-S501 PolarHBondContact O-N 3.27Å; G484-S501 PolarHBondContact O-OG 2.85Å; S501-F511 VanDerWaalsContact CA-O 3.29Å; S501-F511 WeakPolarHBondContact CA-O 3.5Å; S501-F511 WeakPolarHBondContact CB-O 3.3Å
502	D	91.8	Very high	90.6	Very high	24 Å²	24	54.2 Å²	54.2	13%	0.128	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	163.9	172.7	-166.9	11.9	0	0	0	108.7	Y459 R510 F511 V513	Y459-D502 HydrophobicContact CD2-CB 4.43Å; Y459-D502 VanDerWaalsContact CD2-OD1 3.22Å; Y459-D502 WeakPolarHBondContact CD2-OD1 3.4Å; D502-R510 WeakPolarHBondContact O-CA 3.32Å; D502-F511 HydrophobicContact CB-CE1 3.93Å; D502-F511 HydrophobicContact CB-CE2 4.19Å; D502-F511 HydrophobicContact CB-CZ 3.65Å; D502-F511 PolarHBondContact N-O 2.96Å; D502-F511 VanDerWaalsContact N-O 3.13Å; D502-F511 VanDerWaalsContact O-CD1 3.28Å; D502-F511 WeakPolarHBondContact O-CD1 3.39Å; D502-F511 PolarHBondContact O-N 3.42Å; D502-V513 HydrophobicContact CB-CG2 3.96Å
503	D	88.4	Confident	90.7	Very high	37 Å²	37	52.3 Å²	52.3	20%	0.198	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.5	179.6	-69.6	-17.7	0	0	0	109.6	Y459 I505 R510	Y459-D503 HydrophobicContact CD2-CB 4.2Å; Y459-D503 HydrophobicContact CE2-CB 3.98Å; Y459-D503 WeakPolarHBondContact CE2-OD1 3.37Å; Y459-D503 WeakPolarHBondContact CE2-OD2 3.39Å; D503-I505 PolarHBondContact O-N 3.41Å; D503-R510 WeakPolarHBondContact OD1-CA 3.41Å; D503-R510 VanDerWaalsContact OD1-CB 3.25Å; D503-R510 WeakPolarHBondContact OD1-CB 3.45Å; D503-R510 WeakPolarHBondContact OD1-CG 3.4Å; D503-R510 IonicContact OD1-NE 3.63Å; D503-R510 PolarHBondContact OD1-NE 3.35Å
504	N	83.4	Confident	90.8	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	26%	0.26	S	S	.	.			trans	-66.2	126.9	173.1	-175.2	-35.3	0	0	0	109.8	E506 S507 M508 E509	N504-E506 PolarHBondContact O-N 3.01Å; N504-E506 PolarHBondContact OD1-N 3.26Å; N504-S507 VanDerWaalsContact CB-OG 3.29Å; N504-S507 WeakPolarHBondContact CB-OG 3.39Å; N504-S507 PolarHBondContact OD1-N 2.82Å; N504-M508 WeakPolarHBondContact O-CA 3.12Å; N504-M508 PolarHBondContact O-N 2.66Å; N504-E509 PolarHBondContact N-O 2.93Å
505	I	78.8	Confident	90.7	Very high	162 Å²	162	51.8 Å²	51.8	83%	0.831	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.7	-176.7	-61.6	171.6	0	0	0	112.1	D503	D503-I505 PolarHBondContact O-N 3.41Å
506	E	80.1	Confident	90.7	Very high	184 Å²	184	51.9 Å²	51.9	86%	0.86	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-47.9	-176.5	-65.3	-177.5	-178.5	0	0	112.6	N504	N504-E506 PolarHBondContact O-N 3.01Å; N504-E506 PolarHBondContact OD1-N 3.26Å
507	S	81.1	Confident	90.7	Very high	52 Å²	52	51.6 Å²	51.6	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-13.7	-176.2	66.7	0	0	0	0	114	N504 E509	N504-S507 VanDerWaalsContact CB-OG 3.29Å; N504-S507 WeakPolarHBondContact CB-OG 3.39Å; N504-S507 PolarHBondContact OD1-N 2.82Å; S507-E509 PolarHBondContact O-N 2.53Å; S507-E509 VanDerWaalsContact O-N 3.1Å; S507-E509 WeakPolarHBondContact OG-CB 3.25Å; S507-E509 PolarHBondContact OG-N 3.28Å; S507-E509 PolarHBondContact OG-OE2 2.81Å
508	M	79.4	Confident	90.6	Very high	158 Å²	158	52 Å²	52	78%	0.778	27%	0.268	S	S	*	.			trans	55.9	16.3	-169.7	-57.3	179.4	63.3	0	0	113.6	N504	N504-M508 WeakPolarHBondContact O-CA 3.12Å; N504-M508 PolarHBondContact O-N 2.66Å
509	E	84	Confident	90.7	Very high	136 Å²	136	52.1 Å²	52.1	64%	0.636	27%	0.269	S	S	*	.			trans	-82.4	134.5	176.2	-67	176.5	148.9	0	0	110.2	N504 S507	N504-E509 PolarHBondContact N-O 2.93Å; S507-E509 PolarHBondContact O-N 2.53Å; S507-E509 VanDerWaalsContact O-N 3.1Å; S507-E509 WeakPolarHBondContact OG-CB 3.25Å; S507-E509 PolarHBondContact OG-N 3.28Å; S507-E509 PolarHBondContact OG-OE2 2.81Å
510	R	87.9	Confident	90.7	Very high	54 Å²	54	53.5 Å²	53.5	20%	0.204	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.2	178.7	-170	169.8	-66.7	-175.1	-2.5	111	Y459 D502 D503 W556	Y459-R510 PolarHBondContact OH-NE 3.15Å; Y459-R510 PolarHBondContact OH-NH2 2.89Å; Y459-R510 VanDerWaalsContact OH-NH2 3.11Å; D502-R510 WeakPolarHBondContact O-CA 3.32Å; D503-R510 WeakPolarHBondContact OD1-CA 3.41Å; D503-R510 VanDerWaalsContact OD1-CB 3.25Å; D503-R510 WeakPolarHBondContact OD1-CB 3.45Å; D503-R510 WeakPolarHBondContact OD1-CG 3.4Å; D503-R510 IonicContact OD1-NE 3.63Å; D503-R510 PolarHBondContact OD1-NE 3.35Å; R510-W556 HydrophobicContact CG-CB 4.2Å; R510-W556 HydrophobicContact CG-CD2 3.97Å; R510-W556 HydrophobicContact CG-CE3 4.37Å; R510-W556 HydrophobicContact CG-CG 3.84Å
511	F	91	Very high	90.8	Very high	76 Å²	76	54.8 Å²	54.8	33%	0.333	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157	176.6	67.1	-87.3	0	0	0	111.9	S501 D502 V513	S501-F511 VanDerWaalsContact CA-O 3.29Å; S501-F511 WeakPolarHBondContact CA-O 3.5Å; S501-F511 WeakPolarHBondContact CB-O 3.3Å; D502-F511 HydrophobicContact CB-CE1 3.93Å; D502-F511 HydrophobicContact CB-CE2 4.19Å; D502-F511 HydrophobicContact CB-CZ 3.65Å; D502-F511 PolarHBondContact N-O 2.96Å; D502-F511 VanDerWaalsContact N-O 3.13Å; D502-F511 VanDerWaalsContact O-CD1 3.28Å; D502-F511 WeakPolarHBondContact O-CD1 3.39Å; D502-F511 PolarHBondContact O-N 3.42Å; F511-V513 HydrophobicContact CE2-CG2 4.16Å
512	D	94	Very high	90.8	Very high	13 Å²	13	61.5 Å²	61.5	7%	0.07	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.9	-178	-70.8	-50	0	0	0	110.9	A535 S555 W556 E557	D512-A535 HydrophobicContact CB-CB 3.62Å; D512-A535 WeakPolarHBondContact OD2-CB 3.4Å; D512-S555 WeakPolarHBondContact OD2-CA 2.74Å; D512-S555 PolarHBondContact OD2-OG 3.35Å; D512-W556 VanDerWaalsContact CG-N 3.35Å; D512-W556 PolarHBondContact OD1-N 2.71Å; D512-W556 PolarHBondContact OD2-N 2.9Å; D512-E557 HydrophobicContact CB-CG 4.39Å; D512-E557 PolarHBondContact OD2-N 3.21Å; D512-E557 VanDerWaalsContact OD2-N 3.11Å
513	V	95.5	Very high	91	Very high	9 Å²	9	64 Å²	64	6%	0.055	34%	0.336	C	S	.	.			trans	-94.2	116.3	173.7	179.3	0	0	0	0	108.4	T481 G499 G500 D502 F511	T481-V513 HydrophobicContact CG2-CG1 4.3Å; T481-V513 HydrophobicContact CG2-CG2 4.49Å; G499-V513 CarbonylContact C-O 3.48Å; G499-V513 WeakPolarHBondContact CA-O 3.49Å; G500-V513 PolarHBondContact O-N 2.83Å; D502-V513 HydrophobicContact CB-CG2 3.96Å; F511-V513 HydrophobicContact CE2-CG2 4.16Å
514	L	96.4	Very high	91.4	Very high	70 Å²	70	64.7 Å²	64.7	37%	0.366	34%	0.34	S	S	.	.			trans	-93.4	-14.1	174	-58.1	-176.8	0	0	0	113.3	P531 L532 A535	L514-P531 WeakPolarHBondContact O-CA 3.3Å; L514-P531 WeakPolarHBondContact O-CB 3.31Å; L514-L532 HydrophobicContact CD2-CB 4.34Å; L514-L532 PolarHBondContact O-N 3.25Å; L514-A535 HydrophobicContact CD2-CB 4.27Å
515	G	96.3	Very high	92	Very high	32 Å²	32	66.6 Å²	66.6	33%	0.33	35%	0.347	S	S	.	.			trans	-67.3	131.3	-176.3	0	0	0	0	0	112.4	R483	R483-G515 PolarHBondContact NH1-O 3.11Å; R483-G515 PolarHBondContact NH2-O 3.44Å
516	V	98	Very high	92.9	Very high	2 Å²	2	60 Å²	60	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.7	175.5	-173.8	0	0	0	0	109.3	Y496 S497 I498 V529 L532 W575	Y496-V516 HydrophobicContact CD1-CG1 4.45Å; S497-V516 WeakPolarHBondContact O-CA 3.09Å; I498-V516 HydrophobicContact CB-CG1 4.47Å; I498-V516 HydrophobicContact CG1-CG1 3.83Å; I498-V516 HydrophobicContact CG2-CG2 4.13Å; V516-V529 HydrophobicContact CB-CG2 3.68Å; V516-V529 HydrophobicContact CG1-CG2 3.44Å; V516-V529 VanDerWaalsContact CG1-CG2 3.44Å; V516-V529 PolarHBondContact O-N 2.96Å; V516-V529 VanDerWaalsContact O-N 3.08Å; V516-L532 HydrophobicContact CG2-CG 3.97Å; V516-W575 HydrophobicContact CG2-CZ2 4.05Å
517	E	97.8	Very high	93.7	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.014	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.6	-179.8	-57.8	-179.3	-117.2	0	0	109.7	T480 T481 R483 Y496 S497 W526 T527 R528	T480-E517 WeakPolarHBondContact CB-OE2 3.18Å; T480-E517 PolarHBondContact N-OE1 2.97Å; T480-E517 PolarHBondContact N-OE2 2.72Å; T480-E517 PolarHBondContact OG1-OE2 3.07Å; T481-E517 PolarHBondContact N-OE1 3.14Å; R483-E517 IonicContact CZ-OE1 3.47Å; R483-E517 IonicContact NH2-OE1 2.71Å; R483-E517 PolarHBondContact NH2-OE1 3.43Å; Y496-E517 CarbonylContact C-O 3.48Å; Y496-E517 WeakPolarHBondContact CA-O 3.4Å; S497-E517 PolarHBondContact N-O 2.88Å; S497-E517 PolarHBondContact O-N 3.05Å; E517-W526 HydrophobicContact CB-CD2 4.43Å; E517-W526 HydrophobicContact CB-CE3 3.49Å; E517-W526 VanDerWaalsContact CB-CE3 3.49Å; E517-W526 HydrophobicContact CB-CZ3 3.97Å; E517-W526 WeakPolarHBondContact O-CZ3 3.28Å; E517-T527 CarbonylContact C-O 3.57Å; E517-T527 WeakPolarHBondContact CA-O 3.43Å; E517-R528 HydrophobicContact CG-CG 4.46Å
518	A	97.9	Very high	94.5	Very high	9 Å²	9	61.3 Å²	61.3	7%	0.074	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120	174.2	0	0	0	0	0	109.8	I495 Y496 W526 T527 V529	I495-A518 CarbonylContact O-C 3.53Å; I495-A518 WeakPolarHBondContact O-CA 3.29Å; Y496-A518 HydrophobicContact CD1-CB 3.89Å; Y496-A518 HydrophobicContact CE1-CB 3.68Å; A518-W526 CarbonylContact O-C 3.52Å; A518-W526 WeakPolarHBondContact O-CA 3.42Å; A518-T527 PolarHBondContact N-O 2.87Å; A518-T527 PolarHBondContact O-N 2.97Å; A518-V529 HydrophobicContact CB-CG1 3.87Å
519	Y	98.4	Very high	95.4	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.7	174.3	178	-109.5	0	0	0	110.4	Y447 L463 R477 S494 I495 P521 N524 Q525 W526	Y447-Y519 HydrophobicContact CE1-CE1 4.1Å; L463-Y519 HydrophobicContact CD2-CD1 3.8Å; L463-Y519 HydrophobicContact CD2-CD2 3.98Å; L463-Y519 HydrophobicContact CD2-CE1 3.63Å; L463-Y519 HydrophobicContact CD2-CE2 3.82Å; L463-Y519 HydrophobicContact CD2-CG 3.97Å; R477-Y519 HydrophobicContact CB-CE2 4.47Å; S494-Y519 WeakPolarHBondContact CA-O 3.42Å; I495-Y519 HydrophobicContact CB-CD1 4.38Å; I495-Y519 HydrophobicContact CD1-CD1 4.19Å; I495-Y519 PolarHBondContact N-O 2.88Å; I495-Y519 PolarHBondContact O-N 2.84Å; Y519-P521 HydrophobicContact CD1-CG 3.89Å; Y519-P521 HydrophobicContact CE1-CB 3.99Å; Y519-P521 HydrophobicContact CE1-CG 3.78Å; Y519-P521 WeakPolarHBondContact O-CD 3.39Å; Y519-N524 WeakPolarHBondContact CE2-OD1 3.27Å; Y519-N524 PolarHBondContact OH-OD1 3.17Å; Y519-Q525 WeakPolarHBondContact CA-O 3.04Å; Y519-W526 AromaticContact CD2-CD1 3.85Å; Y519-W526 AromaticContact CD2-CD2 3.97Å; Y519-W526 HydrophobicContact CD2-CD2 3.97Å; Y519-W526 AromaticContact CD2-CE2 3.66Å; Y519-W526 HydrophobicContact CD2-CG 4.1Å; Y519-W526 HydrophobicContact CD2-CZ2 4.18Å; Y519-W526 AromaticContact CD2-NE1 3.54Å; Y519-W526 HydrophobicContact CG-CD2 4.25Å; Y519-W526 AromaticContact CG-CE2 3.98Å; Y519-W526 HydrophobicContact CG-CH2 4.44Å; Y519-W526 HydrophobicContact CG-CZ2 4.1Å
520	S	97.3	Very high	96	Very high	29 Å²	29	49.5 Å²	49.5	20%	0.203	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112	168.1	178.8	0	0	0	0	109.6	Q522 C523 N524 Q525	S520-Q522 PolarHBondContact O-N 2.85Å; S520-C523 WeakPolarHBondContact CB-SG 3.4Å; S520-C523 PolarHBondContact O-N 3.38Å; S520-N524 WeakPolarHBondContact O-CA 3.44Å; S520-N524 PolarHBondContact O-N 2.88Å; S520-Q525 PolarHBondContact N-O 3.24Å; S520-Q525 PolarHBondContact O-N 3.07Å
521	P	95.8	Very high	96.5	Very high	27 Å²	27	50.7 Å²	50.7	18%	0.175	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.6	176.1	-25.5	36.6	0	0	0	113.5	Y442 D493 I495 Y519	Y442-P521 HydrophobicContact CD1-CB 4.12Å; Y442-P521 HydrophobicContact CD1-CG 3.69Å; Y442-P521 HydrophobicContact CE1-CB 3.76Å; Y442-P521 HydrophobicContact CE1-CG 3.56Å; Y442-P521 HydrophobicContact CG-CG 4.28Å; D493-P521 WeakPolarHBondContact O-CD 3.3Å; I495-P521 HydrophobicContact CD1-CG 4.09Å; I495-P521 HydrophobicContact CG1-CG 4.41Å; Y519-P521 HydrophobicContact CD1-CG 3.89Å; Y519-P521 HydrophobicContact CE1-CB 3.99Å; Y519-P521 HydrophobicContact CE1-CG 3.78Å; Y519-P521 WeakPolarHBondContact O-CD 3.39Å
522	Q	94.1	Very high	96.8	Very high	142 Å²	142	47.4 Å²	47.4	66%	0.664	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-42.4	-177.5	-61	-177.4	16.7	0	0	112.6	S520	S520-Q522 PolarHBondContact O-N 2.85Å
523	C	95.4	Very high	96.9	Very high	75 Å²	75	50.8 Å²	50.8	51%	0.507	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	0.3	178.7	62	0	0	0	0	113.6	S520 Q525	S520-C523 WeakPolarHBondContact CB-SG 3.4Å; S520-C523 PolarHBondContact O-N 3.38Å; C523-Q525 PolarHBondContact O-N 3.09Å
524	N	96.5	Very high	96.8	Very high	53 Å²	53	54.9 Å²	54.9	28%	0.283	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	53	-179.7	-171.5	17	0	0	0	111.3	R477 Y519 S520	R477-N524 VanDerWaalsContact CB-OD1 3.29Å; R477-N524 WeakPolarHBondContact CB-OD1 3.24Å; R477-N524 WeakPolarHBondContact CD-O 3.25Å; R477-N524 WeakPolarHBondContact CG-O 3.45Å; R477-N524 WeakPolarHBondContact CG-OD1 3.5Å; R477-N524 PolarHBondContact N-OD1 3.25Å; R477-N524 PolarHBondContact NE-O 2.86Å; Y519-N524 WeakPolarHBondContact CE2-OD1 3.27Å; Y519-N524 PolarHBondContact OH-OD1 3.17Å; S520-N524 WeakPolarHBondContact O-CA 3.44Å; S520-N524 PolarHBondContact O-N 2.88Å
525	Q	97.1	Very high	96.7	Very high	110 Å²	110	52.1 Å²	52.1	51%	0.514	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.2	-175	-175.9	174.9	-0.9	0	0	111.8	Y519 S520 C523	Y519-Q525 WeakPolarHBondContact CA-O 3.04Å; S520-Q525 PolarHBondContact N-O 3.24Å; S520-Q525 PolarHBondContact O-N 3.07Å; C523-Q525 PolarHBondContact O-N 3.09Å
526	W	97.9	Very high	96.6	Very high	25 Å²	25	50.6 Å²	50.6	10%	0.095	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.4	171.8	-67.2	92.1	0	0	0	111.5	L463 R477 P478 M479 E517 A518 Y519	L463-W526 HydrophobicContact CB-CZ2 4.37Å; L463-W526 HydrophobicContact CD1-CZ2 4.22Å; L463-W526 HydrophobicContact CD2-CZ2 3.8Å; L463-W526 HydrophobicContact CG-CZ2 4.36Å; R477-W526 PolarHBondContact O-NE1 2.79Å; P478-W526 PolarHBondContact O-NE1 3.39Å; M479-W526 HydrophobicContact CB-CZ2 4.46Å; M479-W526 HydrophobicContact CG-CD2 4.22Å; M479-W526 HydrophobicContact CG-CE3 4.42Å; M479-W526 HydrophobicContact CG-CH2 3.61Å; M479-W526 HydrophobicContact CG-CZ2 3.33Å; M479-W526 HydrophobicContact CG-CZ3 4.15Å; M479-W526 HydrophobicContact SD-CH2 4.17Å; M479-W526 HydrophobicContact SD-CZ2 4.39Å; E517-W526 HydrophobicContact CB-CD2 4.43Å; E517-W526 HydrophobicContact CB-CE3 3.49Å; E517-W526 VanDerWaalsContact CB-CE3 3.49Å; E517-W526 HydrophobicContact CB-CZ3 3.97Å; E517-W526 WeakPolarHBondContact O-CZ3 3.28Å; A518-W526 CarbonylContact O-C 3.52Å; A518-W526 WeakPolarHBondContact O-CA 3.42Å; Y519-W526 AromaticContact CD2-CD1 3.85Å; Y519-W526 AromaticContact CD2-CD2 3.97Å; Y519-W526 HydrophobicContact CD2-CD2 3.97Å; Y519-W526 AromaticContact CD2-CE2 3.66Å; Y519-W526 HydrophobicContact CD2-CG 4.1Å; Y519-W526 HydrophobicContact CD2-CZ2 4.18Å; Y519-W526 AromaticContact CD2-NE1 3.54Å; Y519-W526 HydrophobicContact CG-CD2 4.25Å; Y519-W526 AromaticContact CG-CE2 3.98Å; Y519-W526 HydrophobicContact CG-CH2 4.44Å; Y519-W526 HydrophobicContact CG-CZ2 4.1Å
527	T	96.9	Very high	96.3	Very high	86 Å²	86	50.5 Å²	50.5	53%	0.528	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.5	174.9	-57.7	0	0	0	0	108.9	E517 A518	E517-T527 CarbonylContact C-O 3.57Å; E517-T527 WeakPolarHBondContact CA-O 3.43Å; A518-T527 PolarHBondContact N-O 2.87Å; A518-T527 PolarHBondContact O-N 2.97Å
528	R	97.3	Very high	96.2	Very high	177 Å²	177	51.8 Å²	51.8	67%	0.668	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	136.2	174	-69.2	-178.6	177.5	-176.7	-3.1	110	E517	E517-R528 HydrophobicContact CG-CG 4.46Å
529	V	97.5	Very high	96	Very high	27 Å²	27	52 Å²	52	16%	0.164	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-179.3	175.3	-59.8	0	0	0	0	109.5	Y496 V516 A518 D573	Y496-V529 HydrophobicContact CD1-CG2 4.37Å; Y496-V529 HydrophobicContact CE1-CG2 4.39Å; V516-V529 HydrophobicContact CB-CG2 3.68Å; V516-V529 HydrophobicContact CG1-CG2 3.44Å; V516-V529 VanDerWaalsContact CG1-CG2 3.44Å; V516-V529 PolarHBondContact O-N 2.96Å; V516-V529 VanDerWaalsContact O-N 3.08Å; A518-V529 HydrophobicContact CB-CG1 3.87Å; V529-D573 WeakPolarHBondContact CB-OD1 3.3Å
530	A	97.6	Very high	95.9	Very high	18 Å²	18	52 Å²	52	15%	0.149	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-52.5	132.6	-178	0	0	0	0	0	112.4	Y568 D573 W575	A530-Y568 HydrophobicContact CB-CE2 4.35Å; A530-D573 VanDerWaalsContact CB-O 3.22Å; A530-D573 WeakPolarHBondContact CB-O 3.42Å; A530-D573 WeakPolarHBondContact CB-OD1 3.35Å; A530-D573 PolarHBondContact N-OD1 3.48Å; A530-W575 PolarHBondContact O-NE1 2.76Å
531	P	97.6	Very high	96	Very high	79 Å²	79	52.2 Å²	52.2	51%	0.513	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-73	157.7	179.7	32	-35.6	0	0	0	111.3	L514	L514-P531 WeakPolarHBondContact O-CA 3.3Å; L514-P531 WeakPolarHBondContact O-CB 3.31Å
532	L	96.9	Very high	96	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.037	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-60.1	152.7	173.7	-73.2	166.1	0	0	0	111.9	I498 L514 V516 N536 I550 W575	I498-L532 HydrophobicContact CG2-CD1 3.87Å; I498-L532 HydrophobicContact CG2-CD2 3.87Å; I498-L532 HydrophobicContact CG2-CG 4.08Å; L514-L532 HydrophobicContact CD2-CB 4.34Å; L514-L532 PolarHBondContact O-N 3.25Å; V516-L532 HydrophobicContact CG2-CG 3.97Å; L532-N536 HydrophobicContact CD1-CB 4.12Å; L532-N536 VanDerWaalsContact CD1-CG 3.4Å; L532-N536 WeakPolarHBondContact CD1-OD1 3.16Å; L532-I550 HydrophobicContact CD2-CG1 4.39Å; L532-W575 HydrophobicContact CD2-CD2 3.94Å; L532-W575 HydrophobicContact CD2-CE3 3.95Å; L532-W575 HydrophobicContact CD2-CH2 3.68Å; L532-W575 HydrophobicContact CD2-CZ2 3.67Å; L532-W575 HydrophobicContact CD2-CZ3 3.83Å; L532-W575 HydrophobicContact CG-CZ2 4.44Å
533	L	95.9	Very high	96.2	Very high	84 Å²	84	46.9 Å²	46.9	44%	0.44	25%	0.25	S	S	.	.	S	Bend	trans	-77.1	-35.7	174.3	-54.7	175	0	0	0	111.3	W575	L533-W575 HydrophobicContact CD1-CB 4.23Å; L533-W575 HydrophobicContact CD2-CB 4.22Å; L533-W575 HydrophobicContact CG-CB 3.85Å
534	H	94.6	Very high	96.2	Very high	95 Å²	95	44.2 Å²	44.2	44%	0.44	23%	0.23	S	C	.	.	S	Bend	trans	-139.4	152.3	-178.8	-57.9	-61.9	0	0	0	110.7	Q566	H534-Q566 PolarHBondContact O-NE2 2.9Å
535	A	93.6	Very high	96	Very high	12 Å²	12	48.5 Å²	48.5	10%	0.099	25%	0.248	C	C	.	.			trans	-57.2	147.4	173.1	0	0	0	0	0	111.9	D512 L514	D512-A535 HydrophobicContact CB-CB 3.62Å; D512-A535 WeakPolarHBondContact OD2-CB 3.4Å; L514-A535 HydrophobicContact CD2-CB 4.27Å
536	N	93.8	Very high	95.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.247	C	C	.	.			trans	-143.6	27	-168.8	77.9	-42.3	0	0	0	113.3	I498 G499 G500 L532 E538 S539 I550	I498-N536 PolarHBondContact O-ND2 2.98Å; G499-N536 WeakPolarHBondContact CA-OD1 3.43Å; G500-N536 PolarHBondContact N-OD1 3.11Å; G500-N536 VanDerWaalsContact N-OD1 3.16Å; L532-N536 HydrophobicContact CD1-CB 4.12Å; L532-N536 VanDerWaalsContact CD1-CG 3.4Å; L532-N536 WeakPolarHBondContact CD1-OD1 3.16Å; N536-E538 PolarHBondContact O-N 2.83Å; N536-S539 WeakPolarHBondContact CB-OG 3.21Å; N536-S539 PolarHBondContact ND2-OG 3.11Å; N536-S539 VanDerWaalsContact ND2-OG 3.09Å; N536-S539 WeakPolarHBondContact O-CB 3.37Å; N536-S539 PolarHBondContact O-N 3.23Å; N536-S539 VanDerWaalsContact O-N 3.07Å; N536-S539 PolarHBondContact O-OG 3.22Å; N536-I550 HydrophobicContact CB-CG2 3.61Å
537	S	93.3	Very high	95.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-55.2	138.5	177.7	-65.9	0	0	0	0	109.7	W485 G500 S539 G553 Y554 W556	W485-S537 WeakPolarHBondContact O-CA 3.27Å; G500-S537 VanDerWaalsContact C-OG 3.26Å; G500-S537 PolarHBondContact O-OG 3.17Å; S537-S539 PolarHBondContact O-N 3.11Å; S537-S539 VanDerWaalsContact O-N 3.14Å; S537-G553 CarbonylContact O-C 3.59Å; S537-G553 WeakPolarHBondContact O-CA 3.48Å; S537-Y554 WeakPolarHBondContact CB-O 3.48Å; S537-Y554 PolarHBondContact N-O 2.76Å; S537-Y554 VanDerWaalsContact N-O 3.12Å; S537-Y554 PolarHBondContact O-N 3.5Å; S537-W556 PolarHBondContact OG-NE1 3.16Å
538	E	93.8	Very high	96	Very high	30 Å²	30	45.4 Å²	45.4	14%	0.14	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	24.9	-179.4	-54	161.3	-159.6	0	0	113.9	H337 W485 N536 A586 G587	H337-E538 IonicContact CE1-OE2 3.36Å; H337-E538 VanDerWaalsContact NE2-CD 3.29Å; H337-E538 IonicContact NE2-OE1 2.78Å; H337-E538 IonicContact NE2-OE2 3.37Å; H337-E538 PolarHBondContact NE2-OE2 3.21Å; W485-E538 HydrophobicContact CB-CG 4.01Å; W485-E538 VanDerWaalsContact CD1-CG 3.5Å; W485-E538 HydrophobicContact CG-CG 3.95Å; W485-E538 PolarHBondContact O-N 3.43Å; N536-E538 PolarHBondContact O-N 2.83Å; E538-A586 HydrophobicContact CB-CB 4.23Å; E538-G587 WeakPolarHBondContact O-CA 3.38Å; E538-G587 PolarHBondContact O-N 3.45Å
539	S	95.6	Very high	96	Very high	13 Å²	13	37.9 Å²	37.9	9%	0.091	21%	0.209	C	C	.	.			trans	-76.1	155.3	176	54.1	0	0	0	0	112.8	S487 N536 S537	S487-S539 PolarHBondContact OG-OG 2.96Å; N536-S539 WeakPolarHBondContact CB-OG 3.21Å; N536-S539 PolarHBondContact ND2-OG 3.11Å; N536-S539 VanDerWaalsContact ND2-OG 3.09Å; N536-S539 WeakPolarHBondContact O-CB 3.37Å; N536-S539 PolarHBondContact O-N 3.23Å; N536-S539 VanDerWaalsContact O-N 3.07Å; N536-S539 PolarHBondContact O-OG 3.22Å; S537-S539 PolarHBondContact O-N 3.11Å; S537-S539 VanDerWaalsContact O-N 3.14Å
540	G	96.3	Very high	96	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.5	165.6	0	0	0	0	0	110.5	I550 L551	G540-I550 WeakPolarHBondContact O-CA 3.39Å; G540-L551 PolarHBondContact N-O 2.72Å; G540-L551 PolarHBondContact O-N 3.05Å
541	V	97.6	Very high	96	Very high	34 Å²	34	35.7 Å²	35.7	21%	0.206	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137	176.2	61.1	0	0	0	0	111.2	C489 I548 Y549 I550	C489-V541 HydrophobicContact CB-CG2 3.87Å; V541-I548 HydrophobicContact CG2-CG2 4.02Å; V541-Y549 WeakPolarHBondContact CA-O 3.3Å; V541-I550 HydrophobicContact CB-CD1 3.94Å; V541-I550 HydrophobicContact CG2-CD1 3.8Å
542	A	97.5	Very high	95.9	Very high	8 Å²	8	32 Å²	32	7%	0.066	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	152.6	173.1	0	0	0	0	0	110.8	L297 Y549 A590 V592	L297-A542 HydrophobicContact CD1-CB 3.39Å; A542-Y549 PolarHBondContact N-O 2.92Å; A542-Y549 VanDerWaalsContact N-O 3.08Å; A542-Y549 PolarHBondContact O-N 2.84Å; A542-A590 HydrophobicContact CB-CB 3.92Å; A542-V592 HydrophobicContact CB-CG2 4.29Å
543	V	97.3	Very high	95.7	Very high	48 Å²	48	31.7 Å²	31.7	29%	0.291	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.9	172.7	177.2	0	0	0	0	108	C489 L491 R547 I548 V592	C489-V543 HydrophobicContact CB-CG2 3.99Å; L491-V543 HydrophobicContact CD1-CG1 3.71Å; V543-R547 WeakPolarHBondContact CA-O 3.46Å; V543-I548 HydrophobicContact CG2-CG1 4.34Å; V543-V592 WeakPolarHBondContact O-CG2 3.44Å
544	W	96.1	Very high	95.6	Very high	20 Å²	20	29.2 Å²	29.2	8%	0.076	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	134.8	-175.9	-175.6	56.3	0	0	0	109.2	E295 L297 L318 A320 G546 R547 Y549 V592	E295-W544 PolarHBondContact O-NE1 3.06Å; L297-W544 HydrophobicContact CB-CB 4.44Å; L297-W544 HydrophobicContact CB-CD2 3.9Å; L297-W544 HydrophobicContact CB-CE3 4.05Å; L297-W544 HydrophobicContact CB-CG 4.07Å; L297-W544 HydrophobicContact CD2-CE3 4.33Å; L318-W544 HydrophobicContact CD2-CH2 4.46Å; L318-W544 HydrophobicContact CD2-CZ3 3.93Å; A320-W544 HydrophobicContact CB-CH2 4.11Å; W544-G546 PolarHBondContact O-N 3.22Å; W544-G546 VanDerWaalsContact O-N 3.1Å; W544-R547 PolarHBondContact N-O 3.41Å; W544-R547 PolarHBondContact O-N 3.1Å; W544-Y549 HydrophobicContact CB-CD2 4.04Å; W544-Y549 HydrophobicContact CB-CE2 3.97Å; W544-Y549 HydrophobicContact CE3-CE1 4.16Å; W544-Y549 AromaticContact CE3-CE2 3.86Å; W544-Y549 HydrophobicContact CE3-CE2 3.86Å; W544-Y549 AromaticContact CE3-CZ 3.61Å; W544-Y549 WeakPolarHBondContact O-CE2 3.36Å; W544-V592 HydrophobicContact CB-CG2 3.79Å; W544-V592 HydrophobicContact CG-CG2 4.14Å
545	E	93	Very high	95.5	Very high	143 Å²	143	25.3 Å²	25.3	67%	0.668	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	39	-178.1	-60.1	-171	162.2	0	0	114.3	R547	E545-R547 VanDerWaalsContact C-N 3.29Å; E545-R547 PolarHBondContact O-N 3.12Å
546	G	94.9	Very high	95.3	Very high	48 Å²	48	28 Å²	28	50%	0.495	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	10.5	178.2	0	0	0	0	0	115.4	L491 W544	L491-G546 WeakPolarHBondContact CD1-O 3.33Å; W544-G546 PolarHBondContact O-N 3.22Å; W544-G546 VanDerWaalsContact O-N 3.1Å
547	R	97.3	Very high	95	Very high	107 Å²	107	34.3 Å²	34.3	40%	0.404	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.4	179	-69.2	173.9	171	164.1	-1.6	111.5	V543 W544 E545 Y549 V567 Y568 D569	V543-R547 WeakPolarHBondContact CA-O 3.46Å; W544-R547 PolarHBondContact N-O 3.41Å; W544-R547 PolarHBondContact O-N 3.1Å; E545-R547 VanDerWaalsContact C-N 3.29Å; E545-R547 PolarHBondContact O-N 3.12Å; R547-Y549 HydrophobicContact CB-CD2 4.45Å; R547-Y549 HydrophobicContact CB-CE2 3.8Å; R547-V567 HydrophobicContact CB-CG1 3.93Å; R547-V567 HydrophobicContact CG-CG1 4.44Å; R547-Y568 WeakPolarHBondContact CB-O 3.38Å; R547-D569 IonicContact CZ-OD2 3.62Å; R547-D569 IonicContact NE-OD2 3.65Å; R547-D569 PolarHBondContact NE-OD2 3.12Å; R547-D569 IonicContact NH2-OD2 2.83Å; R547-D569 PolarHBondContact NH2-OD2 2.99Å
548	I	98.4	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.8	176.8	-49.5	172.7	0	0	0	108.9	C489 L491 Y496 I498 V541 V543 V567 Y568	C489-I548 WeakPolarHBondContact SG-CG2 3.46Å; L491-I548 HydrophobicContact CB-CD1 4.34Å; L491-I548 HydrophobicContact CB-CG1 4.29Å; L491-I548 HydrophobicContact CD2-CD1 4.12Å; L491-I548 HydrophobicContact CD2-CG1 3.75Å; Y496-I548 HydrophobicContact CD1-CD1 4.04Å; Y496-I548 HydrophobicContact CD2-CD1 3.76Å; Y496-I548 HydrophobicContact CE1-CD1 4.48Å; Y496-I548 HydrophobicContact CE2-CD1 4.25Å; Y496-I548 HydrophobicContact CG-CD1 3.65Å; I498-I548 HydrophobicContact CD1-CD1 4.28Å; I498-I548 HydrophobicContact CD1-CG2 3.75Å; V541-I548 HydrophobicContact CG2-CG2 4.02Å; V543-I548 HydrophobicContact CG2-CG1 4.34Å; I548-V567 CarbonylContact O-C 3.52Å; I548-V567 WeakPolarHBondContact O-CA 3.41Å; I548-Y568 HydrophobicContact CD1-CD1 3.84Å; I548-Y568 HydrophobicContact CD1-CE1 4.5Å; I548-Y568 HydrophobicContact CG1-CD1 4.25Å; I548-Y568 PolarHBondContact N-O 2.75Å; I548-Y568 PolarHBondContact O-N 3.41Å
549	Y	98.1	Very high	94.5	Very high	19 Å²	19	43.2 Å²	43.2	8%	0.075	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.2	177	-71	-104.8	0	0	0	109.6	L297 V541 A542 W544 R547 V565 V567	L297-Y549 HydrophobicContact CD2-CD1 3.6Å; L297-Y549 HydrophobicContact CD2-CD2 4.43Å; L297-Y549 HydrophobicContact CD2-CE1 4.18Å; L297-Y549 HydrophobicContact CD2-CG 3.76Å; V541-Y549 WeakPolarHBondContact CA-O 3.3Å; A542-Y549 PolarHBondContact N-O 2.92Å; A542-Y549 VanDerWaalsContact N-O 3.08Å; A542-Y549 PolarHBondContact O-N 2.84Å; W544-Y549 HydrophobicContact CB-CD2 4.04Å; W544-Y549 HydrophobicContact CB-CE2 3.97Å; W544-Y549 HydrophobicContact CE3-CE1 4.16Å; W544-Y549 AromaticContact CE3-CE2 3.86Å; W544-Y549 HydrophobicContact CE3-CE2 3.86Å; W544-Y549 AromaticContact CE3-CZ 3.61Å; W544-Y549 WeakPolarHBondContact O-CE2 3.36Å; R547-Y549 HydrophobicContact CB-CD2 4.45Å; R547-Y549 HydrophobicContact CB-CE2 3.8Å; Y549-V565 HydrophobicContact CD1-CG1 4.07Å; Y549-V567 HydrophobicContact CD1-CG1 4.4Å; Y549-V567 HydrophobicContact CD1-CG2 3.63Å; Y549-V567 HydrophobicContact CD2-CG1 4.49Å; Y549-V567 HydrophobicContact CE1-CB 4.35Å; Y549-V567 HydrophobicContact CE1-CG1 3.96Å; Y549-V567 HydrophobicContact CE1-CG2 3.44Å; Y549-V567 VanDerWaalsContact CE1-CG2 3.44Å; Y549-V567 HydrophobicContact CE2-CG1 4.04Å; Y549-V567 HydrophobicContact CG-CG2 4.44Å
550	I	98	Very high	94.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.3	170.1	-64.6	-63.3	0	0	0	107.9	I498 L532 N536 G540 V541 V565 Q566 W575	I498-I550 HydrophobicContact CB-CD1 4.39Å; I498-I550 HydrophobicContact CD1-CD1 4.15Å; I498-I550 HydrophobicContact CG2-CD1 3.82Å; I498-I550 HydrophobicContact CG2-CG1 3.97Å; L532-I550 HydrophobicContact CD2-CG1 4.39Å; N536-I550 HydrophobicContact CB-CG2 3.61Å; G540-I550 WeakPolarHBondContact O-CA 3.39Å; V541-I550 HydrophobicContact CB-CD1 3.94Å; V541-I550 HydrophobicContact CG2-CD1 3.8Å; I550-V565 CarbonylContact O-C 3.56Å; I550-V565 VanDerWaalsContact O-CA 3.3Å; I550-V565 WeakPolarHBondContact O-CA 3.39Å; I550-Q566 HydrophobicContact CB-CB 4.3Å; I550-Q566 PolarHBondContact N-O 2.87Å; I550-Q566 PolarHBondContact O-N 3.44Å; I550-W575 HydrophobicContact CB-CZ3 4.36Å; I550-W575 HydrophobicContact CG1-CH2 3.71Å; I550-W575 HydrophobicContact CG1-CZ3 3.76Å
551	L	96.8	Very high	94	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.5	-167.6	-64.8	131.4	0	0	0	110.2	L297 F299 W325 G540 V565 L581 A590	L297-L551 HydrophobicContact CD1-CD1 4.15Å; L297-L551 HydrophobicContact CD2-CD1 4.41Å; L297-L551 HydrophobicContact CD2-CD2 4.26Å; F299-L551 HydrophobicContact CD2-CB 3.65Å; F299-L551 HydrophobicContact CD2-CD1 4.48Å; F299-L551 HydrophobicContact CD2-CD2 4.47Å; F299-L551 HydrophobicContact CD2-CG 4.42Å; F299-L551 HydrophobicContact CE2-CB 3.88Å; W325-L551 HydrophobicContact CH2-CD2 3.35Å; W325-L551 HydrophobicContact CZ2-CD2 3.4Å; W325-L551 VanDerWaalsContact CZ2-CD2 3.4Å; G540-L551 PolarHBondContact N-O 2.72Å; G540-L551 PolarHBondContact O-N 3.05Å; L551-V565 HydrophobicContact CD2-CG1 4.07Å; L551-V565 HydrophobicContact CD2-CG2 3.8Å; L551-V565 HydrophobicContact CG-CG1 4.37Å; L551-V565 HydrophobicContact CG-CG2 4.47Å; L551-L581 HydrophobicContact CB-CD1 4.26Å; L551-L581 HydrophobicContact CD2-CD2 4.11Å; L551-A590 HydrophobicContact CD1-CB 3.31Å
552	G	94.8	Very high	93.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.01	24%	0.242	C	C	.	.			trans	68.4	-144.4	179.1	0	0	0	0	0	112.7	S562 T564	G552-S562 WeakPolarHBondContact CA-O 3.19Å; G552-T564 PolarHBondContact N-O 3.05Å; G552-T564 VanDerWaalsContact N-O 3.14Å
553	G	94	Very high	93.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.			trans	112.7	-177.3	-179.7	0	0	0	0	0	113.2	S537 S562 I585	S537-G553 CarbonylContact O-C 3.59Å; S537-G553 WeakPolarHBondContact O-CA 3.48Å; G553-S562 PolarHBondContact O-N 3.03Å; G553-I585 PolarHBondContact N-O 2.82Å
554	Y	92.8	Very high	93.5	Very high	33 Å²	33	48.5 Å²	48.5	13%	0.129	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.9	-176.7	-170.5	-103.4	0	0	0	110.4	S537 W556 T559 F561	S537-Y554 WeakPolarHBondContact CB-O 3.48Å; S537-Y554 PolarHBondContact N-O 2.76Å; S537-Y554 VanDerWaalsContact N-O 3.12Å; S537-Y554 PolarHBondContact O-N 3.5Å; Y554-W556 AromaticContact CD1-CD2 3.87Å; Y554-W556 HydrophobicContact CD1-CD2 3.87Å; Y554-W556 AromaticContact CD1-CE2 3.83Å; Y554-W556 HydrophobicContact CD1-CE3 4.37Å; Y554-W556 HydrophobicContact CD1-CG 4.09Å; Y554-W556 HydrophobicContact CD1-CZ2 4.26Å; Y554-W556 AromaticContact CE1-CD2 3.72Å; Y554-W556 HydrophobicContact CE1-CD2 3.72Å; Y554-W556 AromaticContact CE1-CE3 3.78Å; Y554-W556 HydrophobicContact CE1-CE3 3.78Å; Y554-W556 HydrophobicContact CE1-CG 4.16Å; Y554-W556 HydrophobicContact CE1-CH2 4.44Å; Y554-W556 HydrophobicContact CE1-CZ2 4.39Å; Y554-W556 HydrophobicContact CE1-CZ3 4.16Å; Y554-T559 VanDerWaalsContact OH-CA 3.24Å; Y554-T559 WeakPolarHBondContact OH-CA 2.99Å; Y554-F561 HydrophobicContact CD2-CD1 4.3Å; Y554-F561 HydrophobicContact CD2-CD2 4.34Å; Y554-F561 HydrophobicContact CD2-CE1 4.35Å; Y554-F561 HydrophobicContact CD2-CE2 4.37Å; Y554-F561 HydrophobicContact CD2-CG 4.3Å; Y554-F561 HydrophobicContact CD2-CZ 4.38Å; Y554-F561 HydrophobicContact CE2-CD2 4.36Å; Y554-F561 HydrophobicContact CE2-CE2 4.21Å; Y554-F561 HydrophobicContact CE2-CZ 4.5Å
555	S	93.5	Very high	93.6	Very high	13 Å²	13	47.6 Å²	47.6	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.7	168.1	175.1	0	0	0	0	109	D512 N558 T559 A560	D512-S555 WeakPolarHBondContact OD2-CA 2.74Å; D512-S555 PolarHBondContact OD2-OG 3.35Å; S555-N558 PolarHBondContact OG-N 3.47Å; S555-N558 PolarHBondContact OG-ND2 3.18Å; S555-T559 VanDerWaalsContact O-CA 3.25Å; S555-T559 WeakPolarHBondContact O-CA 3.37Å; S555-T559 PolarHBondContact O-N 2.89Å; S555-A560 PolarHBondContact N-O 2.78Å; S555-A560 PolarHBondContact O-N 2.73Å
556	W	88.4	Confident	93.8	Very high	69 Å²	69	40.9 Å²	40.9	26%	0.261	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-36.9	177.2	-72.5	98.1	0	0	0	112.1	R510 D512 S537 Y554 T559	R510-W556 HydrophobicContact CG-CB 4.2Å; R510-W556 HydrophobicContact CG-CD2 3.97Å; R510-W556 HydrophobicContact CG-CE3 4.37Å; R510-W556 HydrophobicContact CG-CG 3.84Å; D512-W556 VanDerWaalsContact CG-N 3.35Å; D512-W556 PolarHBondContact OD1-N 2.71Å; D512-W556 PolarHBondContact OD2-N 2.9Å; S537-W556 PolarHBondContact OG-NE1 3.16Å; Y554-W556 AromaticContact CD1-CD2 3.87Å; Y554-W556 HydrophobicContact CD1-CD2 3.87Å; Y554-W556 AromaticContact CD1-CE2 3.83Å; Y554-W556 HydrophobicContact CD1-CE3 4.37Å; Y554-W556 HydrophobicContact CD1-CG 4.09Å; Y554-W556 HydrophobicContact CD1-CZ2 4.26Å; Y554-W556 AromaticContact CE1-CD2 3.72Å; Y554-W556 HydrophobicContact CE1-CD2 3.72Å; Y554-W556 AromaticContact CE1-CE3 3.78Å; Y554-W556 HydrophobicContact CE1-CE3 3.78Å; Y554-W556 HydrophobicContact CE1-CG 4.16Å; Y554-W556 HydrophobicContact CE1-CH2 4.44Å; Y554-W556 HydrophobicContact CE1-CZ2 4.39Å; Y554-W556 HydrophobicContact CE1-CZ3 4.16Å; W556-T559 PolarHBondContact O-N 3.24Å
557	E	86.9	Confident	94	Very high	131 Å²	131	39 Å²	39	61%	0.612	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-39.3	179.7	-64.6	-177.6	156.8	0	0	112	D512	D512-E557 HydrophobicContact CB-CG 4.39Å; D512-E557 PolarHBondContact OD2-N 3.21Å; D512-E557 VanDerWaalsContact OD2-N 3.11Å
558	N	88.2	Confident	94	Very high	114 Å²	114	34.1 Å²	34.1	61%	0.61	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.8	-179.4	-60.4	-64.7	0	0	0	113.1	S555 A560	S555-N558 PolarHBondContact OG-N 3.47Å; S555-N558 PolarHBondContact OG-ND2 3.18Å; N558-A560 HydrophobicContact CB-CB 4.22Å; N558-A560 PolarHBondContact O-N 2.86Å
559	T	88.6	Confident	93.9	Very high	103 Å²	103	35.9 Å²	35.9	63%	0.632	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	38.8	-174.3	60.9	0	0	0	0	113.7	Y554 S555 W556	Y554-T559 VanDerWaalsContact OH-CA 3.24Å; Y554-T559 WeakPolarHBondContact OH-CA 2.99Å; S555-T559 VanDerWaalsContact O-CA 3.25Å; S555-T559 WeakPolarHBondContact O-CA 3.37Å; S555-T559 PolarHBondContact O-N 2.89Å; W556-T559 PolarHBondContact O-N 3.24Å
560	A	91.2	Very high	93.8	Very high	43 Å²	43	39.9 Å²	39.9	36%	0.355	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.8	-166.8	0	0	0	0	0	113.3	S555 N558	S555-A560 PolarHBondContact N-O 2.78Å; S555-A560 PolarHBondContact O-N 2.73Å; N558-A560 HydrophobicContact CB-CB 4.22Å; N558-A560 PolarHBondContact O-N 2.86Å
561	F	91.6	Very high	93.7	Very high	31 Å²	31	47 Å²	47	14%	0.136	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	143.1	169.1	-65.7	-93.8	0	0	0	110.8	E303 R356 Y554 A584 A586	E303-F561 HydrophobicContact CB-CE1 4.18Å; E303-F561 HydrophobicContact CG-CE1 3.94Å; E303-F561 HydrophobicContact CG-CZ 3.98Å; E303-F561 WeakPolarHBondContact OE1-CZ 3.21Å; R356-F561 VanDerWaalsContact NH2-CZ 3.34Å; Y554-F561 HydrophobicContact CD2-CD1 4.3Å; Y554-F561 HydrophobicContact CD2-CD2 4.34Å; Y554-F561 HydrophobicContact CD2-CE1 4.35Å; Y554-F561 HydrophobicContact CD2-CE2 4.37Å; Y554-F561 HydrophobicContact CD2-CG 4.3Å; Y554-F561 HydrophobicContact CD2-CZ 4.38Å; Y554-F561 HydrophobicContact CE2-CD2 4.36Å; Y554-F561 HydrophobicContact CE2-CE2 4.21Å; Y554-F561 HydrophobicContact CE2-CZ 4.5Å; F561-A584 HydrophobicContact CB-CB 3.78Å; F561-A586 HydrophobicContact CD1-CB 3.61Å; F561-A586 HydrophobicContact CE1-CB 3.72Å
562	S	92.7	Very high	93.6	Very high	23 Å²	23	50.2 Å²	50.2	16%	0.161	26%	0.261	C	S	.	.			trans	-107.2	144.6	177.8	-173.3	0	0	0	0	111.4	G552 G553 T564 A584 I585	G552-S562 WeakPolarHBondContact CA-O 3.19Å; G553-S562 PolarHBondContact O-N 3.03Å; S562-T564 WeakPolarHBondContact OG-CB 3.49Å; S562-T564 PolarHBondContact OG-N 3.23Å; S562-T564 PolarHBondContact OG-OG1 3.37Å; S562-A584 WeakPolarHBondContact O-CA 3.49Å; S562-I585 PolarHBondContact O-N 2.99Å
563	K	93.8	Very high	93.7	Very high	102 Å²	102	53.8 Å²	53.8	44%	0.443	28%	0.28	S	S	.	.			trans	-102.3	-2.9	165.2	65.6	174.6	-178	170.7	0	112.3	D580 L581 K583 A584	K563-D580 HydrophobicContact CD-CB 4.29Å; K563-D580 VanDerWaalsContact CE-OD2 3.3Å; K563-D580 WeakPolarHBondContact CE-OD2 3.14Å; K563-D580 HydrophobicContact CG-CB 4.3Å; K563-D580 IonicContact NZ-OD2 3.93Å; K563-D580 CarbonylContact O-C 3.54Å; K563-D580 WeakPolarHBondContact O-CA 3.42Å; K563-L581 HydrophobicContact CB-CB 4.45Å; K563-L581 PolarHBondContact O-N 3.16Å; K563-K583 WeakPolarHBondContact CB-O 3.43Å; K563-A584 HydrophobicContact CB-CB 4.45Å
564	T	95	Very high	93.9	Very high	18 Å²	18	60.5 Å²	60.5	11%	0.11	31%	0.309	C	S	.	.			trans	-72.7	138.6	-169.5	-58.8	0	0	0	0	110.7	G552 S562 Q566 R577	G552-T564 PolarHBondContact N-O 3.05Å; G552-T564 VanDerWaalsContact N-O 3.14Å; S562-T564 WeakPolarHBondContact OG-CB 3.49Å; S562-T564 PolarHBondContact OG-N 3.23Å; S562-T564 PolarHBondContact OG-OG1 3.37Å; T564-Q566 HydrophobicContact CG2-CG 4.14Å; T564-R577 HydrophobicContact CG2-CG 4.31Å
565	V	97.2	Very high	94.1	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.4	169.3	179.9	0	0	0	0	108.5	W325 Y549 I550 L551 V567 G578 V579 L581	W325-V565 HydrophobicContact CZ2-CG2 4.33Å; Y549-V565 HydrophobicContact CD1-CG1 4.07Å; I550-V565 CarbonylContact O-C 3.56Å; I550-V565 VanDerWaalsContact O-CA 3.3Å; I550-V565 WeakPolarHBondContact O-CA 3.39Å; L551-V565 HydrophobicContact CD2-CG1 4.07Å; L551-V565 HydrophobicContact CD2-CG2 3.8Å; L551-V565 HydrophobicContact CG-CG1 4.37Å; L551-V565 HydrophobicContact CG-CG2 4.47Å; V565-V567 HydrophobicContact CG1-CG2 4.4Å; V565-G578 PolarHBondContact O-N 2.86Å; V565-V579 WeakPolarHBondContact CB-O 3.37Å; V565-V579 WeakPolarHBondContact CG2-O 3.41Å; V565-L581 HydrophobicContact CG2-CG 3.97Å
566	Q	97.8	Very high	94.3	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.009	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.9	179.5	-54.5	-179.3	77.6	0	0	109	H534 I550 T564 W575 S576	H534-Q566 PolarHBondContact O-NE2 2.9Å; I550-Q566 HydrophobicContact CB-CB 4.3Å; I550-Q566 PolarHBondContact N-O 2.87Å; I550-Q566 PolarHBondContact O-N 3.44Å; T564-Q566 HydrophobicContact CG2-CG 4.14Å; Q566-W575 HydrophobicContact CB-CE3 3.79Å; Q566-W575 HydrophobicContact CB-CZ3 4.09Å; Q566-S576 WeakPolarHBondContact CA-O 3.47Å
567	V	98.1	Very high	94.7	Very high	7 Å²	7	65.5 Å²	65.5	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121	-174.8	-171.2	0	0	0	0	109.7	R547 I548 Y549 V565 W575 S576	R547-V567 HydrophobicContact CB-CG1 3.93Å; R547-V567 HydrophobicContact CG-CG1 4.44Å; I548-V567 CarbonylContact O-C 3.52Å; I548-V567 WeakPolarHBondContact O-CA 3.41Å; Y549-V567 HydrophobicContact CD1-CG1 4.4Å; Y549-V567 HydrophobicContact CD1-CG2 3.63Å; Y549-V567 HydrophobicContact CD2-CG1 4.49Å; Y549-V567 HydrophobicContact CE1-CB 4.35Å; Y549-V567 HydrophobicContact CE1-CG1 3.96Å; Y549-V567 HydrophobicContact CE1-CG2 3.44Å; Y549-V567 VanDerWaalsContact CE1-CG2 3.44Å; Y549-V567 HydrophobicContact CE2-CG1 4.04Å; Y549-V567 HydrophobicContact CG-CG2 4.44Å; V565-V567 HydrophobicContact CG1-CG2 4.4Å; V567-W575 CarbonylContact O-C 3.37Å; V567-W575 WeakPolarHBondContact O-CA 3.47Å; V567-S576 PolarHBondContact N-O 2.83Å; V567-S576 PolarHBondContact O-N 3.35Å; V567-S576 PolarHBondContact O-OG 3.11Å
568	Y	98.3	Very high	95.1	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.02	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.4	176.5	-178.3	-109.6	0	0	0	110.9	Y496 A530 R547 I548 R570 D573 W575	Y496-Y568 HydrophobicContact CD1-CE1 4.43Å; Y496-Y568 AromaticContact CE1-CE1 3.76Å; Y496-Y568 HydrophobicContact CE1-CE1 3.76Å; A530-Y568 HydrophobicContact CB-CE2 4.35Å; R547-Y568 WeakPolarHBondContact CB-O 3.38Å; I548-Y568 HydrophobicContact CD1-CD1 3.84Å; I548-Y568 HydrophobicContact CD1-CE1 4.5Å; I548-Y568 HydrophobicContact CG1-CD1 4.25Å; I548-Y568 PolarHBondContact N-O 2.75Å; I548-Y568 PolarHBondContact O-N 3.41Å; Y568-R570 HydrophobicContact CE1-CB 4.1Å; Y568-R570 HydrophobicContact CE1-CG 4.49Å; Y568-D573 PolarHBondContact OH-OD1 2.99Å; Y568-W575 AromaticContact CD2-CD1 3.84Å; Y568-W575 AromaticContact CD2-CD2 3.96Å; Y568-W575 HydrophobicContact CD2-CD2 3.96Å; Y568-W575 AromaticContact CD2-CE2 3.57Å; Y568-W575 HydrophobicContact CD2-CG 4.13Å; Y568-W575 HydrophobicContact CD2-CZ2 4.03Å; Y568-W575 AromaticContact CD2-NE1 3.48Å; Y568-W575 HydrophobicContact CG-CD2 4.33Å; Y568-W575 AromaticContact CG-CE2 3.98Å; Y568-W575 HydrophobicContact CG-CH2 4.41Å; Y568-W575 HydrophobicContact CG-CZ2 4.03Å
569	D	97	Very high	95.5	Very high	38 Å²	38	57 Å²	57	20%	0.203	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.6	168.6	-165.5	-48.7	0	0	0	109.2	R547 E571 A572 D573 K574	R547-D569 IonicContact CZ-OD2 3.62Å; R547-D569 IonicContact NE-OD2 3.65Å; R547-D569 PolarHBondContact NE-OD2 3.12Å; R547-D569 IonicContact NH2-OD2 2.83Å; R547-D569 PolarHBondContact NH2-OD2 2.99Å; D569-E571 PolarHBondContact OD1-N 3.09Å; D569-A572 HydrophobicContact CB-CB 4.22Å; D569-A572 PolarHBondContact OD1-N 3.21Å; D569-D573 WeakPolarHBondContact O-CA 3.44Å; D569-D573 PolarHBondContact O-N 2.98Å; D569-K574 PolarHBondContact N-O 2.94Å; D569-K574 PolarHBondContact O-N 2.92Å
570	R	95.4	Very high	95.8	Very high	103 Å²	103	54 Å²	54	39%	0.389	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-37.8	-177.3	-174.9	-172.3	73	-175.4	1.2	112.4	L491 Y568 A572 D573	L491-R570 HydrophobicContact CD2-CB 4.09Å; Y568-R570 HydrophobicContact CE1-CB 4.1Å; Y568-R570 HydrophobicContact CE1-CG 4.49Å; R570-A572 VanDerWaalsContact C-N 3.33Å; R570-D573 PolarHBondContact O-N 3.17Å
571	E	94.9	Very high	95.9	Very high	150 Å²	150	52.1 Å²	52.1	70%	0.701	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-32.7	-175.3	-58.8	-57.7	133.5	0	0	110.9	D569	D569-E571 PolarHBondContact OD1-N 3.09Å
572	A	95.5	Very high	95.9	Very high	66 Å²	66	54.9 Å²	54.9	55%	0.545	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.3	175.8	0	0	0	0	0	114.3	D569 R570 K574	D569-A572 HydrophobicContact CB-CB 4.22Å; D569-A572 PolarHBondContact OD1-N 3.21Å; R570-A572 VanDerWaalsContact C-N 3.33Å; A572-K574 VanDerWaalsContact C-N 3.33Å; A572-K574 HydrophobicContact CB-CB 4.32Å; A572-K574 PolarHBondContact O-N 3.01Å
573	D	96.9	Very high	95.8	Very high	76 Å²	76	56.2 Å²	56.2	41%	0.406	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.6	57.8	-168.3	-174.6	22.2	0	0	0	111.6	V529 A530 Y568 D569 R570	V529-D573 WeakPolarHBondContact CB-OD1 3.3Å; A530-D573 VanDerWaalsContact CB-O 3.22Å; A530-D573 WeakPolarHBondContact CB-O 3.42Å; A530-D573 WeakPolarHBondContact CB-OD1 3.35Å; A530-D573 PolarHBondContact N-OD1 3.48Å; Y568-D573 PolarHBondContact OH-OD1 2.99Å; D569-D573 WeakPolarHBondContact O-CA 3.44Å; D569-D573 PolarHBondContact O-N 2.98Å; R570-D573 PolarHBondContact O-N 3.17Å
574	K	97.8	Very high	95.7	Very high	142 Å²	142	53 Å²	53	62%	0.617	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.7	140.6	-174.5	-172	175.4	178.2	-176.9	0	112.7	D569 A572	D569-K574 PolarHBondContact N-O 2.94Å; D569-K574 PolarHBondContact O-N 2.92Å; A572-K574 VanDerWaalsContact C-N 3.33Å; A572-K574 HydrophobicContact CB-CB 4.32Å; A572-K574 PolarHBondContact O-N 3.01Å
575	W	98.1	Very high	95.6	Very high	7 Å²	7	52.4 Å²	52.4	3%	0.027	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	138.2	168	-66.4	90.1	0	0	0	111.6	I498 V516 A530 L532 L533 I550 Q566 V567 Y568	I498-W575 HydrophobicContact CD1-CH2 4.43Å; I498-W575 HydrophobicContact CG2-CH2 3.95Å; I498-W575 HydrophobicContact CG2-CZ2 4.02Å; V516-W575 HydrophobicContact CG2-CZ2 4.05Å; A530-W575 PolarHBondContact O-NE1 2.76Å; L532-W575 HydrophobicContact CD2-CD2 3.94Å; L532-W575 HydrophobicContact CD2-CE3 3.95Å; L532-W575 HydrophobicContact CD2-CH2 3.68Å; L532-W575 HydrophobicContact CD2-CZ2 3.67Å; L532-W575 HydrophobicContact CD2-CZ3 3.83Å; L532-W575 HydrophobicContact CG-CZ2 4.44Å; L533-W575 HydrophobicContact CD1-CB 4.23Å; L533-W575 HydrophobicContact CD2-CB 4.22Å; L533-W575 HydrophobicContact CG-CB 3.85Å; I550-W575 HydrophobicContact CB-CZ3 4.36Å; I550-W575 HydrophobicContact CG1-CH2 3.71Å; I550-W575 HydrophobicContact CG1-CZ3 3.76Å; Q566-W575 HydrophobicContact CB-CE3 3.79Å; Q566-W575 HydrophobicContact CB-CZ3 4.09Å; V567-W575 CarbonylContact O-C 3.37Å; V567-W575 WeakPolarHBondContact O-CA 3.47Å; Y568-W575 AromaticContact CD2-CD1 3.84Å; Y568-W575 AromaticContact CD2-CD2 3.96Å; Y568-W575 HydrophobicContact CD2-CD2 3.96Å; Y568-W575 AromaticContact CD2-CE2 3.57Å; Y568-W575 HydrophobicContact CD2-CG 4.13Å; Y568-W575 HydrophobicContact CD2-CZ2 4.03Å; Y568-W575 AromaticContact CD2-NE1 3.48Å; Y568-W575 HydrophobicContact CG-CD2 4.33Å; Y568-W575 AromaticContact CG-CE2 3.98Å; Y568-W575 HydrophobicContact CG-CH2 4.41Å; Y568-W575 HydrophobicContact CG-CZ2 4.03Å
576	S	97.4	Very high	95.4	Very high	61 Å²	61	52.4 Å²	52.4	43%	0.427	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	165.1	172.5	62.4	0	0	0	0	110.4	Q566 V567	Q566-S576 WeakPolarHBondContact CA-O 3.47Å; V567-S576 PolarHBondContact N-O 2.83Å; V567-S576 PolarHBondContact O-N 3.35Å; V567-S576 PolarHBondContact O-OG 3.11Å
577	R	96.7	Very high	95.1	Very high	151 Å²	151	52.5 Å²	52.5	57%	0.57	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	127.1	177.5	-173.6	173.5	-178.8	172.9	-0	109.7	T564 D580	T564-R577 HydrophobicContact CG2-CG 4.31Å; R577-D580 IonicContact CZ-OD1 3.11Å; R577-D580 IonicContact CZ-OD2 3.74Å; R577-D580 IonicContact NE-OD1 3.51Å; R577-D580 PolarHBondContact NE-OD1 3.11Å; R577-D580 VanDerWaalsContact NE-OD1 3.09Å; R577-D580 VanDerWaalsContact NH2-CG 3.31Å; R577-D580 IonicContact NH2-OD1 2.97Å; R577-D580 PolarHBondContact NH2-OD1 2.74Å; R577-D580 VanDerWaalsContact NH2-OD1 3.09Å; R577-D580 IonicContact NH2-OD2 3.88Å; R577-D580 PolarHBondContact NH2-OD2 2.96Å
578	G	95	Very high	94.8	Very high	24 Å²	24	52.5 Å²	52.5	25%	0.247	28%	0.28	C	S	.	.			trans	-91.8	-169.4	171.2	0	0	0	0	0	112.7	V565 D580	V565-G578 PolarHBondContact O-N 2.86Å; G578-D580 PolarHBondContact O-N 3.31Å
579	V	95.6	Very high	94.7	Very high	44 Å²	44	53.2 Å²	53.2	27%	0.267	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-70.6	116.5	176.5	-178.8	0	0	0	0	109.9	L318 E323 W325 V565	L318-V579 HydrophobicContact CD1-CB 4.01Å; L318-V579 HydrophobicContact CD1-CG1 4.23Å; L318-V579 HydrophobicContact CD1-CG2 4.18Å; E323-V579 HydrophobicContact CB-CG2 4.08Å; E323-V579 VanDerWaalsContact O-CG1 3.3Å; E323-V579 WeakPolarHBondContact O-CG1 3.39Å; W325-V579 PolarHBondContact NE1-O 2.86Å; W325-V579 VanDerWaalsContact NE1-O 3.11Å; V565-V579 WeakPolarHBondContact CB-O 3.37Å; V565-V579 WeakPolarHBondContact CG2-O 3.41Å
580	D	95.6	Very high	94.7	Very high	38 Å²	38	52 Å²	52	20%	0.203	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54.6	144.2	178.9	-74.5	-5.2	0	0	0	112.1	W325 K563 R577 G578	W325-D580 PolarHBondContact NE1-O 3.33Å; K563-D580 HydrophobicContact CD-CB 4.29Å; K563-D580 VanDerWaalsContact CE-OD2 3.3Å; K563-D580 WeakPolarHBondContact CE-OD2 3.14Å; K563-D580 HydrophobicContact CG-CB 4.3Å; K563-D580 IonicContact NZ-OD2 3.93Å; K563-D580 CarbonylContact O-C 3.54Å; K563-D580 WeakPolarHBondContact O-CA 3.42Å; R577-D580 IonicContact CZ-OD1 3.11Å; R577-D580 IonicContact CZ-OD2 3.74Å; R577-D580 IonicContact NE-OD1 3.51Å; R577-D580 PolarHBondContact NE-OD1 3.11Å; R577-D580 VanDerWaalsContact NE-OD1 3.09Å; R577-D580 VanDerWaalsContact NH2-CG 3.31Å; R577-D580 IonicContact NH2-OD1 2.97Å; R577-D580 PolarHBondContact NH2-OD1 2.74Å; R577-D580 VanDerWaalsContact NH2-OD1 3.09Å; R577-D580 IonicContact NH2-OD2 3.88Å; R577-D580 PolarHBondContact NH2-OD2 2.96Å; G578-D580 PolarHBondContact O-N 3.31Å
581	L	94.4	Very high	94.7	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.7	153.6	171.3	-70.1	170.6	0	0	0	111.1	F299 W325 L551 K563 V565 K583 I585	F299-L581 HydrophobicContact CB-CD2 4.17Å; F299-L581 HydrophobicContact CD1-CD2 4.15Å; F299-L581 HydrophobicContact CD2-CD1 4.34Å; F299-L581 HydrophobicContact CD2-CD2 4.38Å; F299-L581 HydrophobicContact CE1-CD1 4.34Å; F299-L581 HydrophobicContact CE2-CD1 4.14Å; F299-L581 HydrophobicContact CG-CD2 3.95Å; F299-L581 HydrophobicContact CZ-CD1 4.14Å; W325-L581 HydrophobicContact CD2-CD2 4.05Å; W325-L581 HydrophobicContact CE3-CD2 4.36Å; W325-L581 HydrophobicContact CH2-CD2 3.96Å; W325-L581 HydrophobicContact CZ2-CD2 3.62Å; W325-L581 HydrophobicContact CZ3-CD2 4.3Å; L551-L581 HydrophobicContact CB-CD1 4.26Å; L551-L581 HydrophobicContact CD2-CD2 4.11Å; K563-L581 HydrophobicContact CB-CB 4.45Å; K563-L581 PolarHBondContact O-N 3.16Å; V565-L581 HydrophobicContact CG2-CG 3.97Å; L581-K583 PolarHBondContact O-N 2.88Å; L581-I585 HydrophobicContact CD1-CG2 3.65Å
582	P	91.3	Very high	94.8	Very high	88 Å²	88	41.6 Å²	41.6	57%	0.571	24%	0.24	S	C	*	.	S	Bend	trans	-60.6	-26.2	178	-25.2	35	0	0	0	114.4	W325	W325-P582 HydrophobicContact CB-CG 3.68Å; W325-P582 HydrophobicContact CG-CG 4.2Å
583	K	90.4	Very high	94.7	Very high	51 Å²	51	38.7 Å²	38.7	22%	0.222	22%	0.215	C	C	.	.	S	Bend	trans	-137.2	153.2	-175.7	-65	176.9	176.8	167.3	0	110.3	V304 D314 K563 L581 I585	V304-K583 HydrophobicContact CG1-CD 4.4Å; D314-K583 IonicContact OD2-NZ 3.11Å; D314-K583 PolarHBondContact OD2-NZ 3.46Å; K563-K583 WeakPolarHBondContact CB-O 3.43Å; L581-K583 PolarHBondContact O-N 2.88Å; K583-I585 PolarHBondContact O-N 3.15Å
584	A	91.8	Very high	94.5	Very high	34 Å²	34	36.2 Å²	36.2	28%	0.281	21%	0.206	S	C	.	.			trans	-76.6	119.6	168.4	0	0	0	0	0	109.1	F561 S562 K563	F561-A584 HydrophobicContact CB-CB 3.78Å; S562-A584 WeakPolarHBondContact O-CA 3.49Å; K563-A584 HydrophobicContact CB-CB 4.45Å
585	I	92.3	Very high	93.9	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	141.8	-165.2	-168.5	149.3	0	0	0	111.6	F299 G301 E303 V304 G553 S562 L581 K583	F299-I585 HydrophobicContact CE1-CD1 3.98Å; F299-I585 HydrophobicContact CE1-CG1 4.21Å; F299-I585 HydrophobicContact CE1-CG2 3.63Å; F299-I585 HydrophobicContact CZ-CD1 4.5Å; F299-I585 HydrophobicContact CZ-CG1 4.24Å; F299-I585 HydrophobicContact CZ-CG2 3.51Å; G301-I585 WeakPolarHBondContact O-CD1 3.47Å; E303-I585 VanDerWaalsContact O-CA 3.3Å; E303-I585 WeakPolarHBondContact O-CA 3.47Å; E303-I585 WeakPolarHBondContact O-CG1 3.41Å; V304-I585 HydrophobicContact CG1-CB 4.19Å; V304-I585 HydrophobicContact CG1-CD1 3.51Å; V304-I585 HydrophobicContact CG1-CG1 3.92Å; G553-I585 PolarHBondContact N-O 2.82Å; S562-I585 PolarHBondContact O-N 2.99Å; L581-I585 HydrophobicContact CD1-CG2 3.65Å; K583-I585 PolarHBondContact O-N 3.15Å
586	A	92.8	Very high	93	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	167.9	173.6	0	0	0	0	0	110.1	G302 E303 E538 F561 G588	G302-A586 CarbonylContact C-O 3.59Å; G302-A586 WeakPolarHBondContact CA-O 3.29Å; E303-A586 PolarHBondContact N-O 2.97Å; E303-A586 PolarHBondContact O-N 2.98Å; E538-A586 HydrophobicContact CB-CB 4.23Å; F561-A586 HydrophobicContact CD1-CB 3.61Å; F561-A586 HydrophobicContact CE1-CB 3.72Å; A586-G588 PolarHBondContact O-N 2.6Å; A586-G588 VanDerWaalsContact O-N 3.11Å
587	G	91.4	Very high	91.5	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	19%	0.186	C	C	.	.	S	Bend	trans	61.7	21.3	-177.3	0	0	0	0	0	113.5	S336 H337 E538	S336-G587 CarbonylContact C-O 3.58Å; H337-G587 PolarHBondContact N-O 3.31Å; E538-G587 WeakPolarHBondContact O-CA 3.38Å; E538-G587 PolarHBondContact O-N 3.45Å
588	G	92.7	Very high	90.1	Very high	6 Å²	6	32.7 Å²	32.7	6%	0.062	19%	0.187	C	C	.	.			trans	-92.6	159.6	173.2	0	0	0	0	0	111	A586	A586-G588 PolarHBondContact O-N 2.6Å; A586-G588 VanDerWaalsContact O-N 3.11Å
589	S	95.4	Very high	88.2	Confident	20 Å²	20	37 Å²	37	14%	0.14	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	152.5	176.9	-86.9	0	0	0	0	111	V300 H338 V340	V300-S589 PolarHBondContact N-O 2.86Å; V300-S589 PolarHBondContact O-N 2.96Å; H338-S589 PolarHBondContact O-OG 2.94Å; V340-S589 PolarHBondContact N-OG 3.47Å
590	A	96.9	Very high	86.1	Confident	13 Å²	13	41.6 Å²	41.6	11%	0.107	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.9	175.7	0	0	0	0	0	110.8	L298 F299 A542 L551	L298-A590 VanDerWaalsContact O-CA 3.25Å; L298-A590 WeakPolarHBondContact O-CA 3.24Å; F299-A590 HydrophobicContact CD2-CB 4.45Å; A542-A590 HydrophobicContact CB-CB 3.92Å; L551-A590 HydrophobicContact CD1-CB 3.31Å
591	C	96.7	Very high	83.4	Confident	10 Å²	10	47.4 Å²	47.4	7%	0.068	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	170.5	175.3	69	0	0	0	0	111.1	L298 V340 V342	L298-C591 PolarHBondContact N-O 3.11Å; L298-C591 PolarHBondContact O-N 3.02Å; V340-C591 HydrophobicContact CG1-CB 3.58Å; V342-C591 HydrophobicContact CG2-CB 3.83Å
592	V	96.3	Very high	80.6	Confident	25 Å²	25	56.6 Å²	56.6	15%	0.152	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.8	173.4	175.3	0	0	0	0	108.3	E295 R296 L297 A542 V543 W544	E295-V592 HydrophobicContact CB-CG1 3.6Å; E295-V592 HydrophobicContact CG-CG1 4.32Å; R296-V592 WeakPolarHBondContact O-CA 3.45Å; L297-V592 HydrophobicContact CD1-CG2 4.22Å; A542-V592 HydrophobicContact CB-CG2 4.29Å; V543-V592 WeakPolarHBondContact O-CG2 3.44Å; W544-V592 HydrophobicContact CB-CG2 3.79Å; W544-V592 HydrophobicContact CG-CG2 4.14Å
593	C	93.9	Very high	77.8	Confident	4 Å²	4	61.9 Å²	61.9	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	149.5	178.6	-164.9	0	0	0	0	110.5	R296 L298 I347 L595	R296-C593 PolarHBondContact N-O 3.39Å; R296-C593 PolarHBondContact O-N 3.08Å; L298-C593 HydrophobicContact CD1-CB 3.76Å; I347-C593 HydrophobicContact CD1-CB 3.89Å; I347-C593 HydrophobicContact CG1-CB 3.95Å; C593-L595 PolarHBondContact O-N 3.2Å
594	A	90.9	Very high	75	Confident	25 Å²	25	69.2 Å²	69.2	21%	0.207	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.1	171.1	0	0	0	0	0	110	T292	T292-A594 HydrophobicContact CG2-CB 4.16Å
595	L	87.1	Confident	72.3	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.026	38%	0.375	C	S	.	.			trans	-127.8	143.5	177.7	-63.7	-178.7	0	0	0	109.6	T292 R296 L298 Y317 P372 C593	T292-L595 WeakPolarHBondContact CG2-O 3.47Å; R296-L595 HydrophobicContact CB-CD1 4.21Å; R296-L595 HydrophobicContact CG-CB 4.41Å; L298-L595 HydrophobicContact CD1-CD1 4.32Å; L298-L595 HydrophobicContact CD2-CD1 3.95Å; L298-L595 HydrophobicContact CG-CD1 4.19Å; Y317-L595 HydrophobicContact CD1-CD1 3.7Å; Y317-L595 HydrophobicContact CE1-CD1 4.39Å; Y317-L595 HydrophobicContact CG-CD1 3.91Å; P372-L595 HydrophobicContact CB-CD2 3.56Å; C593-L595 PolarHBondContact O-N 3.2Å
596	E	78.2	Confident	69.4	Low	90 Å²	90	80.3 Å²	80.3	42%	0.421	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-57	141.5	175.5	-70.1	-173.8	164.2	0	0	111.6	L290 R598	L290-E596 HydrophobicContact CD1-CG 4.33Å; L290-E596 HydrophobicContact CD2-CG 3.79Å; E596-R598 PolarHBondContact O-N 3.43Å
597	P	66.4	Low	66.6	Low	33 Å²	33	90.4 Å²	90.4	21%	0.214	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-57.8	142.4	172.8	-14.5	25.1	0	0	0	110.1	Q203	Q203-P597 HydrophobicContact CB-CG 4.35Å; Q203-P597 HydrophobicContact CG-CG 3.81Å
598	R	66.1	Low	63.7	Low	158 Å²	158	93.4 Å²	93.4	60%	0.596	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-60.5	134.1	168.3	-130.4	177.5	-176.6	180	0.5	108.4	V326 E596 E600	V326-R598 VanDerWaalsContact CG1-CZ 3.43Å; E596-R598 PolarHBondContact O-N 3.43Å; R598-E600 PolarHBondContact O-N 3.49Å; R598-E600 VanDerWaalsContact O-N 3.07Å
599	P	56.4	Low	60.9	Low	114 Å²	114	102.5 Å²	102.5	74%	0.74	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-57.5	119.1	164.2	-16.1	28	0	0	0	106.7	D601	P599-D601 PolarHBondContact O-N 3.05Å; P599-D601 VanDerWaalsContact O-N 3.13Å
600	E	51.4	Low	57.9	Low	142 Å²	142	113 Å²	113	66%	0.664	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-58.4	123	170.6	-70.7	-172.3	174.1	0	0	106.8	R598 K602	R598-E600 PolarHBondContact O-N 3.49Å; R598-E600 VanDerWaalsContact O-N 3.07Å; E600-K602 VanDerWaalsContact C-N 3.32Å; E600-K602 PolarHBondContact O-N 2.91Å
601	D	37.9	Very low	55	Low	159 Å²	159	120.9 Å²	120.9	85%	0.85	59%	0.591	S	S	*	*			trans	-54.5	102.7	171.5	-86.3	-39.1	0	0	0	106.7	P599 K603	P599-D601 PolarHBondContact O-N 3.05Å; P599-D601 VanDerWaalsContact O-N 3.13Å; D601-K603 PolarHBondContact O-N 3.26Å; D601-K603 VanDerWaalsContact C-N 3.34Å
602	K	36.1	Very low	52.1	Low	199 Å²	199	128.6 Å²	128.6	87%	0.865	63%	0.626	S	S	*	*			trans	-49.4	106.1	172.9	-76.4	-175	178.7	179.9	0	105.5	E600 K604	E600-K602 VanDerWaalsContact C-N 3.32Å; E600-K602 PolarHBondContact O-N 2.91Å; K602-K604 PolarHBondContact O-N 2.74Å
603	K	32.3	Very low	49.2	Very low	199 Å²	199	135.1 Å²	135.1	87%	0.865	66%	0.66	S	S	*	*			trans	-46.1	109.8	179.3	-83.3	178.3	177.3	171.4	0	106.1	D601 K605	D601-K603 PolarHBondContact O-N 3.26Å; D601-K603 VanDerWaalsContact C-N 3.34Å; K603-K605 PolarHBondContact O-N 3.47Å
604	K	32.7	Very low	46.6	Very low	205 Å²	205	146.2 Å²	146.2	89%	0.891	70%	0.701	S	S	*	*			trans	-57.9	93.4	171.4	-82	178.5	177.2	170	0	105.8	K602 G606	K602-K604 PolarHBondContact O-N 2.74Å; K604-G606 PolarHBondContact O-N 3.17Å
605	K	34	Very low	44.3	Very low	205 Å²	205	148.3 Å²	148.3	89%	0.891	73%	0.725	S	S	*	*			trans	-52.7	114.4	167.9	-84.8	-175.2	175.7	177.2	0	105.1	K603 K607	K603-K605 PolarHBondContact O-N 3.47Å; K605-K607 PolarHBondContact O-N 2.82Å
606	G	31.5	Very low	41.8	Very low	69 Å²	69	161.2 Å²	161.2	71%	0.711	79%	0.785	S	S	*	*			trans	-52.3	129.3	-169.3	0	0	0	0	0	110.6	K604 G608	K604-G606 PolarHBondContact O-N 3.17Å; G606-G608 PolarHBondContact O-N 3.35Å
607	K	34	Very low	40	Very low	212 Å²	212	164.8 Å²	164.8	92%	0.922	80%	0.803	S	S	*	*			trans	-57.4	105.9	160	-78.9	-176	174.5	-179.5	0	106.5	K605 K609	K605-K607 PolarHBondContact O-N 2.82Å; K607-K609 PolarHBondContact O-N 3.21Å; K607-K609 VanDerWaalsContact O-N 3.17Å
608	G	31.4	Very low	38.6	Very low	69 Å²	69	171.7 Å²	171.7	71%	0.711	83%	0.834	S	S	*	*			trans	-52	120.9	170.7	0	0	0	0	0	108.9	G606 R610	G606-G608 PolarHBondContact O-N 3.35Å; G608-R610 PolarHBondContact O-N 2.91Å
609	K	33	Very low	37.1	Very low	197 Å²	197	172.4 Å²	172.4	86%	0.857	85%	0.848	S	S	*	*			trans	-58.4	104.1	167.8	-80.7	177.2	172.6	177.3	0	107.5	K607 H611	K607-K609 PolarHBondContact O-N 3.21Å; K607-K609 VanDerWaalsContact O-N 3.17Å; K609-H611 PolarHBondContact O-N 3.09Å; K609-H611 VanDerWaalsContact O-N 3.16Å
610	R	33.7	Very low	36	Very low	240 Å²	240	175.9 Å²	175.9	91%	0.906	85%	0.854	S	S	*	*			trans	-67	105.2	157.6	-85.8	-177	171.8	178.2	-2.7	106.8	G608 Q612	G608-R610 PolarHBondContact O-N 2.91Å; R610-Q612 PolarHBondContact O-N 2.92Å
611	H	34.4	Very low	35	Very low	178 Å²	178	178 Å²	178	82%	0.824	87%	0.866	S	S	*	*			trans	-59	117.8	160.4	-97.7	-76.6	0	0	0	107.8	K609	K609-H611 PolarHBondContact O-N 3.09Å; K609-H611 VanDerWaalsContact O-N 3.16Å
612	Q	36.2	Very low	34.8	Very low	172 Å²	172	179.3 Å²	179.3	80%	0.804	87%	0.867	S	S	*	*			trans	-80.5	111.2	159.9	-85.2	-179.9	-17.7	0	0	107.2	R610 R614	R610-Q612 PolarHBondContact O-N 2.92Å; Q612-R614 PolarHBondContact O-N 3.03Å
613	D	36.3	Very low	34.7	Very low	163 Å²	163	177.9 Å²	177.9	87%	0.872	87%	0.867	S	S	*	*			trans	-59.7	118.3	155.8	-93.6	-33.1	0	0	0	108.4
614	R	39.3	Very low	34.9	Very low	237 Å²	237	176.2 Å²	176.2	89%	0.894	87%	0.867	S	S	*	*			trans	-96	101.5	158.1	-81.9	-171.5	175.8	-173.3	-1.8	107.5	Q612	Q612-R614 PolarHBondContact O-N 3.03Å
615	G	41.6	Very low	35.1	Very low	68 Å²	68	173.8 Å²	173.8	70%	0.701	87%	0.865	S	S	*	*			trans	-91.6	140.4	154	0	0	0	0	0	109.8
616	Q	36	Very low	35.2	Very low	276 Å²	276	171 Å²	171	100%	1.29	86%	0.863	S	S	*	*			trans	82.8	0	176.6	-62.3	-172.6	-7.6	0	0	117.4

Retrieved 616 of 616 residues in 238.6 ms (Link to these results)

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