A0A093I7Y6_STRCA Loading...

Ligand of Numb protein X 2

AlphaFold DB , UniProt , Accession A0A093I7Y6, Species STRCA (Struthio camelus australis), Gene n/a, Length 687 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	31.1	Very low	32.4	Very low	256 Å²	256	147.8 Å²	147.8	100%	1.261	85%	0.85	S	S	*	*				0	125.3	0	-57.3	-165.4	-153.3	0	0	106.5
2	G	30	Very low	32.3	Very low	61 Å²	61	151.6 Å²	151.6	63%	0.629	85%	0.854	S	S	*	*			cis	172	149.6	-0.7	0	0	0	0	0	105.6
3	T	31.9	Very low	32.3	Very low	136 Å²	136	152.7 Å²	152.7	83%	0.834	85%	0.848	S	S	*	*			trans	66.8	138.2	154.4	63.7	0	0	0	0	118.2
4	T	32.3	Very low	32.1	Very low	128 Å²	128	152.4 Å²	152.4	79%	0.785	84%	0.844	S	S	*	*			cis	-173	155.4	6.5	17.1	0	0	0	0	108.5
5	N	34.8	Very low	32.1	Very low	149 Å²	149	148.1 Å²	148.1	80%	0.797	84%	0.837	S	S	*	*			trans	-49.8	144.4	165.1	-67.5	-21.1	0	0	0	113.6
6	D	30.2	Very low	32.7	Very low	151 Å²	151	145.6 Å²	145.6	81%	0.807	83%	0.831	S	S	*	*				173.5	113.5	114.6	-100.4	-31.6	0	0	0	109.6
7	D	29.7	Very low	33.4	Very low	168 Å²	168	145.4 Å²	145.4	90%	0.898	83%	0.826	S	S	*	*			trans	-176.4	63.3	144.8	-96	-25.7	0	0	0	109.2
8	M	36.9	Very low	34.3	Very low	188 Å²	188	140.2 Å²	140.2	93%	0.926	80%	0.796	S	S	*	*			trans	-95.6	95.5	154.7	-95.8	-165.9	74.1	0	0	107.6
9	A	33.8	Very low	35.9	Very low	83 Å²	83	138.2 Å²	138.2	69%	0.686	79%	0.789	S	S	*	*			trans	169.5	110.5	147.1	0	0	0	0	0	110
10	L	33	Very low	37.5	Very low	155 Å²	155	132.8 Å²	132.8	81%	0.812	76%	0.757	S	S	*	*			trans	156.6	66	143.1	-87.1	153.2	0	0	0	111.7
11	V	32.8	Very low	39.4	Very low	151 Å²	151	127.5 Å²	127.5	92%	0.915	73%	0.729	S	S	*	*			trans	-144.6	38.6	148.6	-157	0	0	0	0	110.4
12	E	30.9	Very low	41.2	Very low	193 Å²	193	123 Å²	123	90%	0.902	70%	0.702	S	S	*	*			trans	-105.2	64.2	164.5	-82.1	-162	145.3	0	0	109.4
13	Q	32.8	Very low	43.3	Very low	166 Å²	166	125 Å²	125	78%	0.776	70%	0.695	S	S	*	*	S	Bend	trans	-159.9	69.2	171.4	-109.4	164.3	39.9	0	0	109.5
14	N	28.7	Very low	45.5	Very low	148 Å²	148	118.5 Å²	118.5	79%	0.791	66%	0.655	S	S	*	*	S	Bend	trans	-178.4	23.3	153.3	-93.4	-22.3	0	0	0	114.4	S16	N14-S16 VanDerWaalsContact C-N 3.27Å; N14-S16 PolarHBondContact O-N 3.48Å
15	A	33	Very low	47.5	Very low	89 Å²	89	112.7 Å²	112.7	74%	0.736	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	8.1	-178.4	0	0	0	0	0	115.1
16	S	41.3	Very low	49.6	Very low	107 Å²	107	107.6 Å²	107.6	75%	0.748	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	12.8	-162.4	43.5	0	0	0	0	116.5	N14	N14-S16 VanDerWaalsContact C-N 3.27Å; N14-S16 PolarHBondContact O-N 3.48Å
17	L	44.7	Very low	51.9	Low	142 Å²	142	105 Å²	105	74%	0.743	58%	0.576	S	S	*	*	S	Bend	trans	-126.8	-4.2	-175.7	-75.8	163.8	0	0	0	117.7	P19	L17-P19 WeakPolarHBondContact O-CD 3.31Å
18	N	49.8	Very low	54.1	Low	52 Å²	52	98 Å²	98	28%	0.278	54%	0.537	S	S	.	.			trans	-94.6	115	177.1	-76.2	-20	0	0	0	112.1	W29	N18-W29 VanDerWaalsContact ND2-CE2 3.3Å; N18-W29 WeakPolarHBondContact ND2-CZ2 3.47Å; N18-W29 VanDerWaalsContact OD1-CZ3 3.3Å; N18-W29 WeakPolarHBondContact OD1-CZ3 3.12Å
19	P	64.4	Low	55.7	Low	102 Å²	102	96.4 Å²	96.4	66%	0.662	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-63.4	140	172.1	26.9	-31.8	0	0	0	109.4	L17 C21	L17-P19 WeakPolarHBondContact O-CD 3.31Å; P19-C21 PolarHBondContact O-N 3.03Å
20	L	68.7	Low	57.2	Low	31 Å²	31	98.5 Å²	98.5	16%	0.162	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-57.7	138.7	174.4	-72.5	166.5	0	0	0	110	F22 G25 Q27 F114 R141	L20-F22 PolarHBondContact O-N 3Å; L20-G25 WeakPolarHBondContact CD2-O 3.32Å; L20-Q27 HydrophobicContact CD2-CG 3.41Å; L20-Q27 VanDerWaalsContact CD2-CG 3.41Å; L20-Q27 HydrophobicContact CG-CG 4.27Å; L20-F114 HydrophobicContact CD1-CE1 4.46Å; L20-F114 HydrophobicContact CD1-CZ 4.05Å; L20-R141 HydrophobicContact CD1-CG 4.44Å
21	C	75.9	Confident	58.7	Low	22 Å²	22	100.7 Å²	100.7	15%	0.149	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-64.9	128.1	174.5	179.5	0	0	0	0	110.5	P19 E23 G25 Q26 H28 H34	P19-C21 PolarHBondContact O-N 3.03Å; C21-E23 PolarHBondContact O-N 2.88Å; C21-E23 PolarHBondContact SG-N 3.26Å; C21-E23 VanDerWaalsContact SG-N 3.39Å; C21-G25 WeakPolarHBondContact O-CA 2.96Å; C21-G25 PolarHBondContact O-N 2.8Å; C21-Q26 WeakPolarHBondContact CB-O 2.92Å; C21-Q26 PolarHBondContact N-O 3.26Å; C21-H28 VanDerWaalsContact CB-NE2 3.25Å; C21-H28 WeakPolarHBondContact CB-NE2 3.47Å; C21-H28 PolarHBondContact SG-NE2 2.73Å; C21-H34 PolarHBondContact SG-CE1 3.15Å; C21-H34 PolarHBondContact SG-ND1 3.07Å
22	F	70.5	Confident	60.6	Low	160 Å²	160	98 Å²	98	70%	0.702	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.8	178.6	-66.9	-76	0	0	0	113.8	L20	L20-F22 PolarHBondContact O-N 3Å
23	E	73.1	Confident	63	Low	103 Å²	103	90.1 Å²	90.1	48%	0.481	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-38.4	-179.7	-65.1	-176.3	-175.3	0	0	112.7	C21 H34	C21-E23 PolarHBondContact O-N 2.88Å; C21-E23 PolarHBondContact SG-N 3.26Å; C21-E23 VanDerWaalsContact SG-N 3.39Å; E23-H34 IonicContact OE2-CD2 3.33Å; E23-H34 IonicContact OE2-CE1 3.59Å; E23-H34 IonicContact OE2-NE2 3.48Å; E23-H34 PolarHBondContact OE2-NE2 3.33Å; E23-H34 VanDerWaalsContact OE2-NE2 3.09Å
24	C	78.8	Confident	65.4	Low	0 Å²	0	84 Å²	84	0%	0	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-5.3	-175.2	79.7	0	0	0	0	114.4	Q26 H34 L35 Y36	C24-Q26 PolarHBondContact O-N 2.96Å; C24-H34 HydrophobicContact CB-CB 3.97Å; C24-L35 VanDerWaalsContact CB-O 3.27Å; C24-L35 WeakPolarHBondContact CB-O 3.4Å; C24-L35 PolarHBondContact SG-N 3.44Å; C24-L35 PolarHBondContact SG-O 3Å; C24-L35 VanDerWaalsContact SG-O 3.35Å; C24-Y36 HydrophobicContact CB-CD1 4.27Å; C24-Y36 HydrophobicContact CB-CE1 3.91Å; C24-Y36 HydrophobicContact CB-CE2 4.4Å
25	G	73.3	Confident	68.1	Low	7 Å²	7	80.4 Å²	80.4	7%	0.072	42%	0.416	C	S	.	.	S	Bend	trans	68.9	9.8	175.5	0	0	0	0	0	115.2	L20 C21	L20-G25 WeakPolarHBondContact CD2-O 3.32Å; C21-G25 WeakPolarHBondContact O-CA 2.96Å; C21-G25 PolarHBondContact O-N 2.8Å
26	Q	79.9	Confident	70.7	Confident	41 Å²	41	77.8 Å²	77.8	19%	0.192	39%	0.388	C	S	.	.	S	Bend	trans	-107.3	161.8	178.9	-58.7	-155	30.5	0	0	112.5	C21 C24 L35 N37 P113	C21-Q26 WeakPolarHBondContact CB-O 2.92Å; C21-Q26 PolarHBondContact N-O 3.26Å; C24-Q26 PolarHBondContact O-N 2.96Å; Q26-L35 HydrophobicContact CB-CB 4.12Å; Q26-L35 HydrophobicContact CG-CB 4.21Å; Q26-L35 PolarHBondContact NE2-O 3.14Å; Q26-L35 VanDerWaalsContact NE2-O 3.14Å; Q26-N37 PolarHBondContact NE2-OD1 2.73Å; Q26-P113 HydrophobicContact CG-CB 4.08Å
27	Q	78.5	Confident	72.8	Confident	98 Å²	98	76 Å²	76	46%	0.458	37%	0.369	S	S	.	.			trans	-88.6	114.4	174.3	-64.8	-176.1	-21.8	0	0	109.4	L20	L20-Q27 HydrophobicContact CD2-CG 3.41Å; L20-Q27 VanDerWaalsContact CD2-CG 3.41Å; L20-Q27 HydrophobicContact CG-CG 4.27Å
28	H	75.1	Confident	74.9	Confident	19 Å²	19	71.2 Å²	71.2	9%	0.088	34%	0.342	C	S	.	.			trans	-150.2	160.1	172.5	65.1	81	0	0	0	109	C21 E32 H34 L35	C21-H28 VanDerWaalsContact CB-NE2 3.25Å; C21-H28 WeakPolarHBondContact CB-NE2 3.47Å; C21-H28 PolarHBondContact SG-NE2 2.73Å; H28-E32 HydrophobicContact CB-CB 4.29Å; H28-H34 AromaticContact CE1-CE1 3.74Å; H28-H34 AromaticContact CE1-ND1 3.31Å; H28-H34 PolarHBondContact CE1-ND1 2.77Å; H28-H34 VanDerWaalsContact CE1-ND1 3.31Å; H28-H34 AromaticContact NE2-CE1 3.83Å; H28-H34 AromaticContact NE2-ND1 3.03Å; H28-H34 PolarHBondContact NE2-ND1 3.31Å; H28-L35 HydrophobicContact CB-CD1 4.23Å
29	W	70.6	Confident	76.6	Confident	156 Å²	156	73.4 Å²	73.4	59%	0.591	35%	0.35	S	S	*	.			trans	-71.6	154.4	176.2	-62.6	95.2	0	0	0	110.7	N18 R31 E32	N18-W29 VanDerWaalsContact ND2-CE2 3.3Å; N18-W29 WeakPolarHBondContact ND2-CZ2 3.47Å; N18-W29 VanDerWaalsContact OD1-CZ3 3.3Å; N18-W29 WeakPolarHBondContact OD1-CZ3 3.12Å; W29-R31 PolarHBondContact O-N 3.16Å; W29-R31 VanDerWaalsContact O-N 3.15Å; W29-E32 HydrophobicContact CB-CG 4.06Å; W29-E32 PolarHBondContact N-OE2 3.2Å; W29-E32 WeakPolarHBondContact O-CB 3.01Å; W29-E32 PolarHBondContact O-N 3.11Å
30	T	64.7	Low	77.5	Confident	127 Å²	127	73.3 Å²	73.3	78%	0.779	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.4	179.7	52.3	0	0	0	0	113.2	E32 K70	T30-E32 VanDerWaalsContact C-N 3.33Å; T30-K70 PolarHBondContact O-NZ 3.48Å
31	R	65.6	Low	78	Confident	201 Å²	201	81.4 Å²	81.4	76%	0.758	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.8	176.1	-65.1	-176	177.4	-173.1	-0.3	113.6	W29	W29-R31 PolarHBondContact O-N 3.16Å; W29-R31 VanDerWaalsContact O-N 3.15Å
32	E	73	Confident	78.4	Confident	94 Å²	94	81.5 Å²	81.5	44%	0.439	38%	0.381	S	S	.	.	S	Bend	trans	-89.3	160.9	178.9	-67.6	171.8	167	0	0	111.4	H28 W29 T30 K70	H28-E32 HydrophobicContact CB-CB 4.29Å; W29-E32 HydrophobicContact CB-CG 4.06Å; W29-E32 PolarHBondContact N-OE2 3.2Å; W29-E32 WeakPolarHBondContact O-CB 3.01Å; W29-E32 PolarHBondContact O-N 3.11Å; T30-E32 VanDerWaalsContact C-N 3.33Å; E32-K70 PolarHBondContact O-NZ 3.15Å
33	N	81.1	Confident	79.2	Confident	27 Å²	27	78.5 Å²	78.5	14%	0.144	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-71	154.8	173.8	-82	-23.8	0	0	0	111.1	L56 K70 C71	N33-L56 HydrophobicContact CB-CD1 3.66Å; N33-K70 WeakPolarHBondContact OD1-CB 3.49Å; N33-C71 PolarHBondContact ND2-SG 2.68Å
34	H	83.8	Confident	79.7	Confident	39 Å²	39	79.8 Å²	79.8	18%	0.181	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-62.7	143.2	169.6	-64.1	-55.1	0	0	0	110.6	C21 E23 C24 H28 Y36 L56	C21-H34 PolarHBondContact SG-CE1 3.15Å; C21-H34 PolarHBondContact SG-ND1 3.07Å; E23-H34 IonicContact OE2-CD2 3.33Å; E23-H34 IonicContact OE2-CE1 3.59Å; E23-H34 IonicContact OE2-NE2 3.48Å; E23-H34 PolarHBondContact OE2-NE2 3.33Å; E23-H34 VanDerWaalsContact OE2-NE2 3.09Å; C24-H34 HydrophobicContact CB-CB 3.97Å; H28-H34 AromaticContact CE1-CE1 3.74Å; H28-H34 AromaticContact CE1-ND1 3.31Å; H28-H34 PolarHBondContact CE1-ND1 2.77Å; H28-H34 VanDerWaalsContact CE1-ND1 3.31Å; H28-H34 AromaticContact NE2-CE1 3.83Å; H28-H34 AromaticContact NE2-ND1 3.03Å; H28-H34 PolarHBondContact NE2-ND1 3.31Å; H34-Y36 HydrophobicContact CB-CD2 4.32Å; H34-Y36 HydrophobicContact CB-CE2 3.53Å; H34-L56 HydrophobicContact CB-CD1 4.34Å; H34-L56 WeakPolarHBondContact O-CD1 3.43Å
35	L	83.9	Confident	80	Confident	72 Å²	72	86.6 Å²	86.6	38%	0.377	42%	0.419	S	S	.	.			trans	-109.3	126.9	-179.9	-66.3	170	0	0	0	109.2	C24 Q26 H28	C24-L35 VanDerWaalsContact CB-O 3.27Å; C24-L35 WeakPolarHBondContact CB-O 3.4Å; C24-L35 PolarHBondContact SG-N 3.44Å; C24-L35 PolarHBondContact SG-O 3Å; C24-L35 VanDerWaalsContact SG-O 3.35Å; Q26-L35 HydrophobicContact CB-CB 4.12Å; Q26-L35 HydrophobicContact CG-CB 4.21Å; Q26-L35 PolarHBondContact NE2-O 3.14Å; Q26-L35 VanDerWaalsContact NE2-O 3.14Å; H28-L35 HydrophobicContact CB-CD1 4.23Å
36	Y	87.3	Confident	80.9	Confident	34 Å²	34	87.1 Å²	87.1	13%	0.133	42%	0.42	C	S	.	.			trans	-123.7	140	-179.5	-64.1	-88.7	0	0	0	109.2	C24 H34 Y38 L56 V110 R124 L127	C24-Y36 HydrophobicContact CB-CD1 4.27Å; C24-Y36 HydrophobicContact CB-CE1 3.91Å; C24-Y36 HydrophobicContact CB-CE2 4.4Å; H34-Y36 HydrophobicContact CB-CD2 4.32Å; H34-Y36 HydrophobicContact CB-CE2 3.53Å; Y36-Y38 WeakPolarHBondContact O-CD2 3.06Å; Y36-Y38 PolarHBondContact O-N 3.18Å; Y36-L56 HydrophobicContact CD2-CD2 4.08Å; Y36-L56 HydrophobicContact CE2-CD2 3.55Å; Y36-V110 HydrophobicContact CD1-CG1 4.26Å; Y36-V110 HydrophobicContact CG-CG1 4.42Å; Y36-R124 HydrophobicContact CD1-CG 3.75Å; Y36-R124 HydrophobicContact CE1-CG 3.74Å; Y36-R124 HydrophobicContact CG-CG 4.16Å; Y36-L127 HydrophobicContact CD1-CD2 3.59Å; Y36-L127 HydrophobicContact CE1-CD2 3.83Å
37	N	86.8	Confident	81.5	Confident	68 Å²	68	86.4 Å²	86.4	36%	0.364	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	86.6	176.2	-66.6	-18.9	0	0	0	108.4	Q26 V110 L111	Q26-N37 PolarHBondContact NE2-OD1 2.73Å; N37-V110 CarbonylContact O-C 3.6Å; N37-V110 VanDerWaalsContact O-CA 3.28Å; N37-V110 WeakPolarHBondContact O-CA 3.29Å; N37-L111 HydrophobicContact CB-CB 4.1Å; N37-L111 PolarHBondContact O-N 3.26Å
38	Y	89.3	Confident	82.1	Confident	43 Å²	43	81.7 Å²	81.7	17%	0.169	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	134.5	179.4	-63.5	-81.3	0	0	0	110.6	Y36 V42 P54 L108 F109 V110 R124	Y36-Y38 WeakPolarHBondContact O-CD2 3.06Å; Y36-Y38 PolarHBondContact O-N 3.18Å; Y38-V42 HydrophobicContact CD1-CG2 4.09Å; Y38-V42 HydrophobicContact CG-CG2 4.17Å; Y38-P54 HydrophobicContact CD1-CG 4.47Å; Y38-P54 HydrophobicContact CD2-CG 3.86Å; Y38-P54 HydrophobicContact CE1-CB 4.24Å; Y38-P54 HydrophobicContact CE1-CG 4.15Å; Y38-P54 HydrophobicContact CE2-CB 3.98Å; Y38-P54 HydrophobicContact CE2-CG 3.49Å; Y38-P54 VanDerWaalsContact CE2-CG 3.49Å; Y38-P54 HydrophobicContact CG-CG 4.34Å; Y38-L108 HydrophobicContact CD1-CB 3.98Å; Y38-L108 HydrophobicContact CD1-CD1 4.25Å; Y38-L108 HydrophobicContact CE1-CB 3.83Å; Y38-L108 HydrophobicContact CE1-CD1 3.73Å; Y38-L108 HydrophobicContact CE1-CG 4.44Å; Y38-F109 WeakPolarHBondContact CA-O 3.46Å; Y38-V110 HydrophobicContact CD1-CG1 3.65Å; Y38-V110 HydrophobicContact CE1-CG1 3.72Å; Y38-V110 HydrophobicContact CG-CG1 4.35Å; Y38-R124 VanDerWaalsContact OH-CD 3.31Å; Y38-R124 WeakPolarHBondContact OH-CD 3.43Å; Y38-R124 PolarHBondContact OH-NH1 3.5Å
39	Q	83.8	Confident	82.8	Confident	98 Å²	98	85.8 Å²	85.8	46%	0.458	42%	0.415	S	S	.	.	S	Bend	trans	-79.5	-38.1	-179.8	-174.9	-176.2	15.1	0	0	112.1	F109 L111	Q39-F109 HydrophobicContact CB-CB 4.44Å; Q39-F109 PolarHBondContact N-O 2.83Å; Q39-L111 HydrophobicContact CB-CD1 4.05Å; Q39-L111 HydrophobicContact CB-CG 4.36Å; Q39-L111 HydrophobicContact CG-CD1 4.4Å
40	N	84.4	Confident	83.6	Confident	99 Å²	99	81.2 Å²	81.2	53%	0.529	40%	0.402	S	S	.	.	S	Bend	trans	-112	158.3	-175.9	-58.3	-30.2	0	0	0	110.1	V42	N40-V42 PolarHBondContact O-N 3.1Å
41	E	77.9	Confident	84.7	Confident	201 Å²	201	77.3 Å²	77.3	94%	0.939	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-58.9	137	167	-65.7	-177.4	173.6	0	0	109.6
42	V	85.3	Confident	85.8	Confident	25 Å²	25	73.6 Å²	73.6	15%	0.152	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-101.8	137.2	-177.9	-179.5	0	0	0	0	108.1	Y38 N40 D44 L46 P54 L108	Y38-V42 HydrophobicContact CD1-CG2 4.09Å; Y38-V42 HydrophobicContact CG-CG2 4.17Å; N40-V42 PolarHBondContact O-N 3.1Å; V42-D44 PolarHBondContact O-N 3.39Å; V42-L46 HydrophobicContact CG1-CB 4.01Å; V42-P54 HydrophobicContact CB-CG 3.82Å; V42-P54 HydrophobicContact CG1-CB 4.07Å; V42-P54 HydrophobicContact CG1-CG 3.83Å; V42-P54 HydrophobicContact CG2-CB 4.49Å; V42-P54 HydrophobicContact CG2-CG 3.6Å; V42-L108 HydrophobicContact CG1-CD1 3.71Å; V42-L108 HydrophobicContact CG1-CD2 3.97Å; V42-L108 HydrophobicContact CG2-CD1 4.01Å; V42-L108 HydrophobicContact CG2-CD2 4.1Å
43	D	87.3	Confident	86.6	Confident	97 Å²	97	73.5 Å²	73.5	52%	0.519	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-49.1	130.7	176.6	-165.3	-44.3	0	0	0	111.2	D45 L46	D43-D45 PolarHBondContact O-N 3.02Å; D43-D45 WeakPolarHBondContact OD1-CB 3.44Å; D43-D45 PolarHBondContact OD1-N 3.29Å; D43-L46 HydrophobicContact CB-CD1 4.3Å; D43-L46 HydrophobicContact CB-CG 4.32Å; D43-L46 WeakPolarHBondContact O-CA 3.11Å; D43-L46 WeakPolarHBondContact O-CB 3.44Å; D43-L46 PolarHBondContact O-N 2.92Å
44	D	83.9	Confident	87.1	Confident	130 Å²	130	72.6 Å²	72.6	70%	0.695	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-57.6	-30.2	-178.4	-73.7	-28.5	0	0	0	112.1	V42 L46 V47	V42-D44 PolarHBondContact O-N 3.39Å; D44-L46 PolarHBondContact O-N 2.72Å; D44-V47 WeakPolarHBondContact O-CB 3.35Å; D44-V47 PolarHBondContact O-N 2.75Å; D44-V47 VanDerWaalsContact O-N 3.08Å
45	D	85.6	Confident	87.6	Confident	142 Å²	142	70.8 Å²	70.8	76%	0.759	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-67.3	-18.3	176.2	-74.5	-20.2	0	0	0	112.6	D43	D43-D45 PolarHBondContact O-N 3.02Å; D43-D45 WeakPolarHBondContact OD1-CB 3.44Å; D43-D45 PolarHBondContact OD1-N 3.29Å
46	L	91.2	Very high	88	Confident	19 Å²	19	68.3 Å²	68.3	10%	0.099	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-99.8	5	176.8	-62.8	-179.2	0	0	0	112.7	V42 D43 D44 P54 L55 V101 L104 L105	V42-L46 HydrophobicContact CG1-CB 4.01Å; D43-L46 HydrophobicContact CB-CD1 4.3Å; D43-L46 HydrophobicContact CB-CG 4.32Å; D43-L46 WeakPolarHBondContact O-CA 3.11Å; D43-L46 WeakPolarHBondContact O-CB 3.44Å; D43-L46 PolarHBondContact O-N 2.92Å; D44-L46 PolarHBondContact O-N 2.72Å; L46-P54 CarbonylContact O-C 3.56Å; L46-P54 WeakPolarHBondContact O-CA 3.33Å; L46-L55 VanDerWaalsContact O-CG 3.27Å; L46-L55 WeakPolarHBondContact O-CG 3.36Å; L46-L55 PolarHBondContact O-N 3.06Å; L46-V101 HydrophobicContact CD2-CG1 4.22Å; L46-L104 HydrophobicContact CD1-CB 4.01Å; L46-L104 HydrophobicContact CD2-CB 4.36Å; L46-L104 HydrophobicContact CD2-CD1 4.46Å; L46-L105 HydrophobicContact CB-CD2 3.84Å; L46-L105 HydrophobicContact CD1-CD2 4.42Å; L46-L105 HydrophobicContact CD2-CD2 4.29Å; L46-L105 HydrophobicContact CD2-CG 4.3Å; L46-L105 HydrophobicContact CG-CD2 4.42Å
47	V	92.3	Very high	88.1	Confident	25 Å²	25	72.5 Å²	72.5	15%	0.152	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.7	-179	176.8	0	0	0	0	111.2	D44 H49	D44-V47 WeakPolarHBondContact O-CB 3.35Å; D44-V47 PolarHBondContact O-N 2.75Å; D44-V47 VanDerWaalsContact O-N 3.08Å; V47-H49 PolarHBondContact O-N 2.88Å; V47-H49 PolarHBondContact O-ND1 3.25Å; V47-H49 VanDerWaalsContact O-ND1 3.1Å
48	C	92.4	Very high	88.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	121.8	172.9	-175.4	0	0	0	0	110.5	I50 C51 L52 Q53 L55 C68	C48-I50 PolarHBondContact O-N 3.42Å; C48-I50 VanDerWaalsContact O-N 3.11Å; C48-C51 VanDerWaalsContact CB-SG 3.57Å; C48-C51 PolarHBondContact O-N 3.42Å; C48-L52 WeakPolarHBondContact O-CA 3.26Å; C48-L52 PolarHBondContact O-N 3.38Å; C48-Q53 WeakPolarHBondContact CB-O 3.47Å; C48-Q53 PolarHBondContact N-O 3.05Å; C48-L55 HydrophobicContact CB-CD2 3.69Å; C48-L55 HydrophobicContact CB-CG 4.36Å; C48-C68 WeakPolarHBondContact CB-SG 3.26Å; C48-C68 PolarHBondContact SG-N 3.49Å
49	H	88.1	Confident	88.7	Confident	105 Å²	105	67.9 Å²	67.9	49%	0.486	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-2.8	-178.6	-68	64.5	0	0	0	114.7	V47 F67 L84	V47-H49 PolarHBondContact O-N 2.88Å; V47-H49 PolarHBondContact O-ND1 3.25Å; V47-H49 VanDerWaalsContact O-ND1 3.1Å; H49-F67 HydrophobicContact CB-CE1 4.19Å; H49-L84 HydrophobicContact CB-CD1 4.24Å; H49-L84 HydrophobicContact CB-CD2 3.9Å; H49-L84 HydrophobicContact CB-CG 4.34Å
50	I	88.1	Confident	89.2	Confident	59 Å²	59	65.6 Å²	65.6	30%	0.303	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-48.4	173.9	-61.5	167.4	0	0	0	110.7	C48 F67 C71 F75 P83	C48-I50 PolarHBondContact O-N 3.42Å; C48-I50 VanDerWaalsContact O-N 3.11Å; I50-F67 HydrophobicContact CD1-CB 4.22Å; I50-F67 HydrophobicContact CD1-CD1 3.66Å; I50-F67 HydrophobicContact CD1-CE1 4.26Å; I50-F67 HydrophobicContact CD1-CG 4.06Å; I50-F67 HydrophobicContact CG1-CD1 3.72Å; I50-F67 HydrophobicContact CG1-CE1 4.06Å; I50-C71 HydrophobicContact CB-CB 3.86Å; I50-C71 HydrophobicContact CD1-CB 3.72Å; I50-C71 HydrophobicContact CG1-CB 4.4Å; I50-C71 HydrophobicContact CG2-CB 3.84Å; I50-F75 HydrophobicContact CD1-CB 4.38Å; I50-P83 HydrophobicContact CD1-CG 3.92Å; I50-P83 HydrophobicContact CG1-CB 4.36Å; I50-P83 HydrophobicContact CG1-CG 4.1Å
51	C	88.4	Confident	89.5	Confident	46 Å²	46	61.1 Å²	61.1	31%	0.311	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-3.8	-177.7	62.9	0	0	0	0	113.8	C48 Q53 C71	C48-C51 VanDerWaalsContact CB-SG 3.57Å; C48-C51 PolarHBondContact O-N 3.42Å; C51-Q53 WeakPolarHBondContact O-CG 3.37Å; C51-Q53 PolarHBondContact O-N 2.97Å; C51-C71 VanDerWaalsContact SG-SG 3.61Å
52	L	88.8	Confident	90	Very high	123 Å²	123	55.9 Å²	55.9	64%	0.644	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	36.5	-178	-51.5	-179.6	0	0	0	112.7	C48	C48-L52 WeakPolarHBondContact O-CA 3.26Å; C48-L52 PolarHBondContact O-N 3.38Å
53	Q	88.9	Confident	90.1	Very high	91 Å²	91	56.3 Å²	56.3	43%	0.425	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.1	178.7	-69.4	-63.9	-65.7	0	0	109	C48 C51 L55	C48-Q53 WeakPolarHBondContact CB-O 3.47Å; C48-Q53 PolarHBondContact N-O 3.05Å; C51-Q53 WeakPolarHBondContact O-CG 3.37Å; C51-Q53 PolarHBondContact O-N 2.97Å; Q53-L55 PolarHBondContact O-N 3.11Å
54	P	92.8	Very high	90.1	Very high	8 Å²	8	54.7 Å²	54.7	5%	0.052	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	140.5	175	-29.1	37.8	0	0	0	111.9	Y38 V42 L46 L56 L105 L108	Y38-P54 HydrophobicContact CD1-CG 4.47Å; Y38-P54 HydrophobicContact CD2-CG 3.86Å; Y38-P54 HydrophobicContact CE1-CB 4.24Å; Y38-P54 HydrophobicContact CE1-CG 4.15Å; Y38-P54 HydrophobicContact CE2-CB 3.98Å; Y38-P54 HydrophobicContact CE2-CG 3.49Å; Y38-P54 VanDerWaalsContact CE2-CG 3.49Å; Y38-P54 HydrophobicContact CG-CG 4.34Å; V42-P54 HydrophobicContact CB-CG 3.82Å; V42-P54 HydrophobicContact CG1-CB 4.07Å; V42-P54 HydrophobicContact CG1-CG 3.83Å; V42-P54 HydrophobicContact CG2-CB 4.49Å; V42-P54 HydrophobicContact CG2-CG 3.6Å; L46-P54 CarbonylContact O-C 3.56Å; L46-P54 WeakPolarHBondContact O-CA 3.33Å; P54-L56 PolarHBondContact O-N 2.9Å; P54-L105 HydrophobicContact CB-CD2 4.4Å; P54-L108 HydrophobicContact CB-CD1 4.02Å
55	L	93.9	Very high	90.6	Very high	2 Å²	2	51 Å²	51	1%	0.01	29%	0.285	C	S	.	.			trans	-59.5	137.7	-171.7	-72.4	158.8	0	0	0	112.4	L46 C48 Q53 P58 T66 L105 R124	L46-L55 VanDerWaalsContact O-CG 3.27Å; L46-L55 WeakPolarHBondContact O-CG 3.36Å; L46-L55 PolarHBondContact O-N 3.06Å; C48-L55 HydrophobicContact CB-CD2 3.69Å; C48-L55 HydrophobicContact CB-CG 4.36Å; Q53-L55 PolarHBondContact O-N 3.11Å; L55-P58 HydrophobicContact CB-CB 4.01Å; L55-P58 HydrophobicContact CD1-CB 4.21Å; L55-P58 HydrophobicContact CD2-CB 4.37Å; L55-P58 HydrophobicContact CG-CB 4.44Å; L55-T66 HydrophobicContact CD1-CG2 3.7Å; L55-T66 HydrophobicContact CD2-CG2 4.07Å; L55-L105 HydrophobicContact CB-CD1 3.71Å; L55-L105 HydrophobicContact CB-CD2 3.95Å; L55-L105 HydrophobicContact CB-CG 4.5Å; L55-R124 PolarHBondContact O-NH1 3.1Å
56	L	90.8	Very high	91	Very high	19 Å²	19	46 Å²	46	10%	0.099	26%	0.26	C	S	.	.	S	Bend	trans	-124.6	120.3	176.7	-67.5	169.5	0	0	0	109.3	N33 H34 Y36 P54 C68 Y69	N33-L56 HydrophobicContact CB-CD1 3.66Å; H34-L56 HydrophobicContact CB-CD1 4.34Å; H34-L56 WeakPolarHBondContact O-CD1 3.43Å; Y36-L56 HydrophobicContact CD2-CD2 4.08Å; Y36-L56 HydrophobicContact CE2-CD2 3.55Å; P54-L56 PolarHBondContact O-N 2.9Å; L56-C68 HydrophobicContact CB-CB 4.49Å; L56-C68 PolarHBondContact N-SG 3.49Å; L56-C68 WeakPolarHBondContact O-CA 3.46Å; L56-C68 VanDerWaalsContact O-CB 3.29Å; L56-C68 WeakPolarHBondContact O-CB 3.49Å; L56-Y69 PolarHBondContact O-N 3.26Å
57	Q	90.1	Very high	91.2	Very high	123 Å²	123	45 Å²	45	58%	0.575	26%	0.255	S	S	*	.	S	Bend	trans	47.2	62.8	-169.8	-62.8	178	-25.9	0	0	110.5	L59 Y69	Q57-L59 PolarHBondContact O-N 3.2Å; Q57-Y69 VanDerWaalsContact O-CB 3.25Å; Q57-Y69 WeakPolarHBondContact O-CB 3.49Å; Q57-Y69 PolarHBondContact O-N 2.68Å
58	P	94.9	Very high	91.3	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	135.4	-173.3	26.2	-36.3	0	0	0	111.9	L55 T66 F67 S97 V101 L105	L55-P58 HydrophobicContact CB-CB 4.01Å; L55-P58 HydrophobicContact CD1-CB 4.21Å; L55-P58 HydrophobicContact CD2-CB 4.37Å; L55-P58 HydrophobicContact CG-CB 4.44Å; P58-T66 HydrophobicContact CB-CG2 3.68Å; P58-F67 WeakPolarHBondContact CA-O 3.31Å; P58-S97 WeakPolarHBondContact CB-OG 3.45Å; P58-S97 PolarHBondContact O-N 3.12Å; P58-S97 PolarHBondContact O-OG 2.71Å; P58-S97 VanDerWaalsContact O-OG 3.12Å; P58-V101 HydrophobicContact CB-CG1 4.23Å; P58-V101 HydrophobicContact CG-CG1 3.97Å; P58-L105 HydrophobicContact CB-CD1 4.48Å; P58-L105 HydrophobicContact CG-CD1 3.83Å
59	L	94.1	Very high	91.3	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.058	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.9	173.9	-73	-176.5	0	0	0	110	Q57 T66 F67 Y69 L72 F91 C94 K95 K96 S97	Q57-L59 PolarHBondContact O-N 3.2Å; L59-T66 WeakPolarHBondContact O-CA 3.43Å; L59-F67 PolarHBondContact N-O 2.99Å; L59-F67 PolarHBondContact O-N 3.25Å; L59-Y69 HydrophobicContact CD1-CD2 3.63Å; L59-Y69 HydrophobicContact CD1-CE2 4.41Å; L59-Y69 HydrophobicContact CD1-CG 4.24Å; L59-Y69 HydrophobicContact CD2-CD2 4.23Å; L59-Y69 HydrophobicContact CG-CD2 4.06Å; L59-L72 HydrophobicContact CB-CD2 4.25Å; L59-L72 HydrophobicContact CD1-CD2 4.27Å; L59-F91 HydrophobicContact CD1-CE2 3.73Å; L59-F91 HydrophobicContact CD1-CZ 4.03Å; L59-C94 HydrophobicContact CD1-CB 4.42Å; L59-K95 CarbonylContact C-O 3.59Å; L59-K95 WeakPolarHBondContact CA-O 3.38Å; L59-K96 HydrophobicContact CD2-CG 4.36Å; L59-S97 PolarHBondContact N-OG 3.41Å
60	D	93.6	Very high	91.4	Very high	50 Å²	50	44 Å²	44	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.1	173.4	-66.2	-15.3	0	0	0	110	T66 C94 K95 S97	D60-T66 WeakPolarHBondContact OD1-CB 3.46Å; D60-T66 VanDerWaalsContact OD1-CG2 3.26Å; D60-T66 WeakPolarHBondContact OD1-CG2 3.33Å; D60-T66 PolarHBondContact OD1-OG1 2.86Å; D60-C94 WeakPolarHBondContact O-CA 3.43Å; D60-K95 PolarHBondContact N-O 2.94Å; D60-K95 PolarHBondContact O-N 2.95Å; D60-S97 PolarHBondContact N-OG 2.79Å; D60-S97 VanDerWaalsContact OD1-CB 3.28Å; D60-S97 WeakPolarHBondContact OD1-CB 3.47Å; D60-S97 PolarHBondContact OD1-OG 3.32Å; D60-S97 VanDerWaalsContact OD2-CA 3.25Å; D60-S97 WeakPolarHBondContact OD2-CA 3.42Å
61	T	92.1	Very high	91.5	Very high	6 Å²	6	42 Å²	42	4%	0.037	24%	0.236	C	C	.	.			trans	-85.1	150.4	173.5	60.2	0	0	0	0	110.3	C63 G64 H65 F67 L72 L89	T61-C63 VanDerWaalsContact CB-SG 3.57Å; T61-C63 PolarHBondContact O-N 2.61Å; T61-C63 PolarHBondContact OG1-SG 3.26Å; T61-G64 PolarHBondContact O-N 3.33Å; T61-H65 WeakPolarHBondContact CB-O 3.27Å; T61-H65 WeakPolarHBondContact CG2-O 3.38Å; T61-H65 PolarHBondContact N-O 3.18Å; T61-H65 WeakPolarHBondContact OG1-CA 3.14Å; T61-H65 WeakPolarHBondContact OG1-CB 3.33Å; T61-H65 PolarHBondContact OG1-N 3.48Å; T61-H65 PolarHBondContact OG1-O 3.35Å; T61-F67 HydrophobicContact CG2-CD2 3.87Å; T61-F67 HydrophobicContact CG2-CE2 3.89Å; T61-L72 HydrophobicContact CG2-CD2 3.83Å; T61-L89 HydrophobicContact CG2-CD1 4.14Å; T61-L89 HydrophobicContact CG2-CD2 3.51Å; T61-L89 HydrophobicContact CG2-CG 4.49Å
62	P	87.6	Confident	91.7	Very high	90 Å²	90	39.8 Å²	39.8	58%	0.584	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22	176.1	-25.4	34.5	0	0	0	114.4	G64 L89 L93	P62-G64 VanDerWaalsContact C-N 3.28Å; P62-L89 VanDerWaalsContact CD-CD1 3.49Å; P62-L89 HydrophobicContact CG-CD1 4.37Å; P62-L93 HydrophobicContact CG-CB 3.83Å
63	C	88.2	Confident	91.8	Very high	34 Å²	34	38.1 Å²	38.1	23%	0.23	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3	174.3	49.5	0	0	0	0	114.4	T61 D85 K87	T61-C63 VanDerWaalsContact CB-SG 3.57Å; T61-C63 PolarHBondContact O-N 2.61Å; T61-C63 PolarHBondContact OG1-SG 3.26Å; C63-D85 WeakPolarHBondContact CB-OD2 3.37Å; C63-K87 HydrophobicContact CB-CD 4.06Å
64	G	87.5	Confident	91.8	Very high	63 Å²	63	37 Å²	37	65%	0.649	20%	0.204	S	C	*	.	S	Bend	trans	95.7	7.9	174.4	0	0	0	0	0	115.8	T61 P62	T61-G64 PolarHBondContact O-N 3.33Å; P62-G64 VanDerWaalsContact C-N 3.28Å
65	H	92.5	Very high	91.7	Very high	52 Å²	52	38.8 Å²	38.8	24%	0.241	21%	0.211	C	C	.	.			trans	-99.3	147.9	178	-61.2	112.7	0	0	0	112.4	T61 F67 C82 L84 D85	T61-H65 WeakPolarHBondContact CB-O 3.27Å; T61-H65 WeakPolarHBondContact CG2-O 3.38Å; T61-H65 PolarHBondContact N-O 3.18Å; T61-H65 WeakPolarHBondContact OG1-CA 3.14Å; T61-H65 WeakPolarHBondContact OG1-CB 3.33Å; T61-H65 PolarHBondContact OG1-N 3.48Å; T61-H65 PolarHBondContact OG1-O 3.35Å; H65-F67 HydrophobicContact CB-CD2 4.48Å; H65-F67 HydrophobicContact CB-CE2 3.6Å; H65-F67 HydrophobicContact CB-CZ 3.9Å; H65-C82 PolarHBondContact ND1-SG 2.82Å; H65-L84 HydrophobicContact CB-CD1 3.94Å; H65-L84 WeakPolarHBondContact CD2-CD1 3.39Å; H65-D85 IonicContact CE1-OD2 3.67Å; H65-D85 PolarHBondContact CE1-OD2 3.42Å; H65-D85 IonicContact ND1-OD2 3.69Å
66	T	94	Very high	91.5	Very high	37 Å²	37	40 Å²	40	23%	0.227	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134	-177.8	-51.7	0	0	0	0	111.9	L55 P58 L59 D60 S97	L55-T66 HydrophobicContact CD1-CG2 3.7Å; L55-T66 HydrophobicContact CD2-CG2 4.07Å; P58-T66 HydrophobicContact CB-CG2 3.68Å; L59-T66 WeakPolarHBondContact O-CA 3.43Å; D60-T66 WeakPolarHBondContact OD1-CB 3.46Å; D60-T66 VanDerWaalsContact OD1-CG2 3.26Å; D60-T66 WeakPolarHBondContact OD1-CG2 3.33Å; D60-T66 PolarHBondContact OD1-OG1 2.86Å; T66-S97 VanDerWaalsContact CG2-OG 3.28Å; T66-S97 WeakPolarHBondContact CG2-OG 3.34Å
67	F	95.3	Very high	91.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160.6	-179.6	-56.6	-82.6	0	0	0	111.6	H49 I50 P58 L59 T61 H65 L72 P83 L84	H49-F67 HydrophobicContact CB-CE1 4.19Å; I50-F67 HydrophobicContact CD1-CB 4.22Å; I50-F67 HydrophobicContact CD1-CD1 3.66Å; I50-F67 HydrophobicContact CD1-CE1 4.26Å; I50-F67 HydrophobicContact CD1-CG 4.06Å; I50-F67 HydrophobicContact CG1-CD1 3.72Å; I50-F67 HydrophobicContact CG1-CE1 4.06Å; P58-F67 WeakPolarHBondContact CA-O 3.31Å; L59-F67 PolarHBondContact N-O 2.99Å; L59-F67 PolarHBondContact O-N 3.25Å; T61-F67 HydrophobicContact CG2-CD2 3.87Å; T61-F67 HydrophobicContact CG2-CE2 3.89Å; H65-F67 HydrophobicContact CB-CD2 4.48Å; H65-F67 HydrophobicContact CB-CE2 3.6Å; H65-F67 HydrophobicContact CB-CZ 3.9Å; F67-L72 HydrophobicContact CB-CB 3.97Å; F67-L72 HydrophobicContact CD2-CD1 3.96Å; F67-L72 HydrophobicContact CD2-CD2 4.25Å; F67-L72 HydrophobicContact CE2-CD1 4.45Å; F67-L72 HydrophobicContact CG-CD1 4.4Å; F67-P83 HydrophobicContact CE1-CB 4.12Å; F67-P83 HydrophobicContact CE1-CG 4.04Å; F67-P83 HydrophobicContact CE2-CG 4.44Å; F67-P83 HydrophobicContact CZ-CB 4.1Å; F67-P83 HydrophobicContact CZ-CG 3.93Å; F67-L84 HydrophobicContact CE1-CD1 3.92Å; F67-L84 HydrophobicContact CE1-CG 4.01Å; F67-L84 HydrophobicContact CZ-CB 4.36Å; F67-L84 HydrophobicContact CZ-CD1 3.67Å; F67-L84 HydrophobicContact CZ-CG 3.75Å
68	C	94.6	Very high	91.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	141.4	170	-57.2	0	0	0	0	110.4	C48 L56 K70 C71 L72	C48-C68 WeakPolarHBondContact CB-SG 3.26Å; C48-C68 PolarHBondContact SG-N 3.49Å; L56-C68 HydrophobicContact CB-CB 4.49Å; L56-C68 PolarHBondContact N-SG 3.49Å; L56-C68 WeakPolarHBondContact O-CA 3.46Å; L56-C68 VanDerWaalsContact O-CB 3.29Å; L56-C68 WeakPolarHBondContact O-CB 3.49Å; C68-K70 VanDerWaalsContact C-N 3.34Å; C68-K70 PolarHBondContact O-N 2.83Å; C68-C71 HydrophobicContact CB-CB 3.92Å; C68-C71 PolarHBondContact O-N 3.11Å; C68-C71 VanDerWaalsContact O-N 3.14Å; C68-L72 PolarHBondContact O-N 3.41Å
69	Y	93.6	Very high	90.8	Very high	76 Å²	76	53 Å²	53	30%	0.298	28%	0.276	S	S	.	.	H	α-helix	trans	-49.8	-51.7	177.8	174.3	-86.9	0	0	0	112.4	L56 Q57 L59 R73 F91	L56-Y69 PolarHBondContact O-N 3.26Å; Q57-Y69 VanDerWaalsContact O-CB 3.25Å; Q57-Y69 WeakPolarHBondContact O-CB 3.49Å; Q57-Y69 PolarHBondContact O-N 2.68Å; L59-Y69 HydrophobicContact CD1-CD2 3.63Å; L59-Y69 HydrophobicContact CD1-CE2 4.41Å; L59-Y69 HydrophobicContact CD1-CG 4.24Å; L59-Y69 HydrophobicContact CD2-CD2 4.23Å; L59-Y69 HydrophobicContact CG-CD2 4.06Å; Y69-R73 WeakPolarHBondContact O-CB 3.41Å; Y69-R73 PolarHBondContact O-N 3.04Å; Y69-F91 HydrophobicContact CD2-CZ 4.05Å; Y69-F91 HydrophobicContact CE2-CE1 4.18Å; Y69-F91 AromaticContact CE2-CZ 3.51Å; Y69-F91 HydrophobicContact CE2-CZ 3.51Å; Y69-F91 AromaticContact CZ-CZ 3.83Å
70	K	88.8	Confident	90.6	Very high	33 Å²	33	56.6 Å²	56.6	14%	0.143	30%	0.295	C	S	.	.	H	α-helix	trans	-68.5	-38.5	-178	-58.9	-172	-173.8	-178.6	0	112	T30 E32 N33 C68 R73 N74	T30-K70 PolarHBondContact O-NZ 3.48Å; E32-K70 PolarHBondContact O-NZ 3.15Å; N33-K70 WeakPolarHBondContact OD1-CB 3.49Å; C68-K70 VanDerWaalsContact C-N 3.34Å; C68-K70 PolarHBondContact O-N 2.83Å; K70-R73 PolarHBondContact O-N 2.91Å; K70-N74 WeakPolarHBondContact O-CB 3.26Å; K70-N74 PolarHBondContact O-N 2.85Å; K70-N74 PolarHBondContact O-ND2 2.98Å; K70-N74 PolarHBondContact O-OD1 2.66Å
71	C	91.6	Very high	90.5	Very high	15 Å²	15	57.2 Å²	57.2	10%	0.101	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-49.3	178.8	-67.2	0	0	0	0	111.4	N33 I50 C51 C68 F75	N33-C71 PolarHBondContact ND2-SG 2.68Å; I50-C71 HydrophobicContact CB-CB 3.86Å; I50-C71 HydrophobicContact CD1-CB 3.72Å; I50-C71 HydrophobicContact CG1-CB 4.4Å; I50-C71 HydrophobicContact CG2-CB 3.84Å; C51-C71 VanDerWaalsContact SG-SG 3.61Å; C68-C71 HydrophobicContact CB-CB 3.92Å; C68-C71 PolarHBondContact O-N 3.11Å; C68-C71 VanDerWaalsContact O-N 3.14Å; C71-F75 WeakPolarHBondContact O-CB 3.41Å; C71-F75 PolarHBondContact O-N 3.32Å
72	L	91.8	Very high	90.5	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.3	-39.6	-180	-173.1	60.5	0	0	0	111.7	L59 T61 F67 C68 F75 L76 L89 C94	L59-L72 HydrophobicContact CB-CD2 4.25Å; L59-L72 HydrophobicContact CD1-CD2 4.27Å; T61-L72 HydrophobicContact CG2-CD2 3.83Å; F67-L72 HydrophobicContact CB-CB 3.97Å; F67-L72 HydrophobicContact CD2-CD1 3.96Å; F67-L72 HydrophobicContact CD2-CD2 4.25Å; F67-L72 HydrophobicContact CE2-CD1 4.45Å; F67-L72 HydrophobicContact CG-CD1 4.4Å; C68-L72 PolarHBondContact O-N 3.41Å; L72-F75 PolarHBondContact O-N 3.27Å; L72-L76 HydrophobicContact CD1-CD1 3.93Å; L72-L76 HydrophobicContact CD1-CG 4.01Å; L72-L76 HydrophobicContact CG-CD1 3.91Å; L72-L76 HydrophobicContact CG-CG 4.32Å; L72-L76 WeakPolarHBondContact O-CB 3.5Å; L72-L76 WeakPolarHBondContact O-CG 3.45Å; L72-L76 PolarHBondContact O-N 3.5Å; L72-L89 HydrophobicContact CD1-CD2 3.98Å; L72-C94 HydrophobicContact CD2-CB 4.42Å
73	R	90.9	Very high	90.5	Very high	88 Å²	88	54.4 Å²	54.4	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-45.3	177.4	-170.6	-179.8	70.2	177.6	2.2	111.9	Y69 K70 Q77 F91	Y69-R73 WeakPolarHBondContact O-CB 3.41Å; Y69-R73 PolarHBondContact O-N 3.04Å; K70-R73 PolarHBondContact O-N 2.91Å; R73-Q77 WeakPolarHBondContact O-CG 3.43Å; R73-Q77 PolarHBondContact O-N 3.43Å; R73-F91 HydrophobicContact CB-CD2 4.27Å; R73-F91 HydrophobicContact CB-CE2 3.58Å; R73-F91 HydrophobicContact CB-CZ 3.92Å; R73-F91 HydrophobicContact CG-CD2 4.5Å; R73-F91 HydrophobicContact CG-CE2 3.99Å; R73-F91 HydrophobicContact CG-CZ 3.98Å
74	N	88.8	Confident	90.5	Very high	67 Å²	67	56.2 Å²	56.2	36%	0.358	28%	0.284	S	S	.	.	H	α-helix	trans	-69.2	-40.1	179.4	-66.8	-5.5	0	0	0	111.1	K70 L76 Q77	K70-N74 WeakPolarHBondContact O-CB 3.26Å; K70-N74 PolarHBondContact O-N 2.85Å; K70-N74 PolarHBondContact O-ND2 2.98Å; K70-N74 PolarHBondContact O-OD1 2.66Å; N74-L76 PolarHBondContact O-N 3.35Å; N74-Q77 WeakPolarHBondContact O-CB 3.45Å; N74-Q77 PolarHBondContact O-N 3.44Å
75	F	90	Very high	90.6	Very high	46 Å²	46	55.5 Å²	55.5	20%	0.202	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-43.5	176.1	-173.1	-87	0	0	0	112.1	I50 C71 L72 Q77 E78 K79 F81 P83	I50-F75 HydrophobicContact CD1-CB 4.38Å; C71-F75 WeakPolarHBondContact O-CB 3.41Å; C71-F75 PolarHBondContact O-N 3.32Å; L72-F75 PolarHBondContact O-N 3.27Å; F75-Q77 PolarHBondContact O-N 2.94Å; F75-E78 PolarHBondContact O-N 3.23Å; F75-K79 HydrophobicContact CD1-CB 4.19Å; F75-K79 HydrophobicContact CE1-CB 3.73Å; F75-K79 HydrophobicContact CE1-CD 4Å; F75-K79 HydrophobicContact CE1-CG 4.47Å; F75-K79 HydrophobicContact CE2-CD 3.85Å; F75-K79 HydrophobicContact CZ-CB 4.16Å; F75-K79 HydrophobicContact CZ-CD 3.52Å; F75-K79 HydrophobicContact CZ-CG 4.44Å; F75-K79 PolarHBondContact O-N 3.25Å; F75-K79 VanDerWaalsContact O-N 3.1Å; F75-F81 HydrophobicContact CE1-CD2 4.29Å; F75-F81 HydrophobicContact CE1-CE2 4.22Å; F75-F81 VanDerWaalsContact CE1-O 3.27Å; F75-F81 WeakPolarHBondContact CE1-O 3.04Å; F75-F81 HydrophobicContact CZ-CD2 4.43Å; F75-F81 AromaticContact CZ-CE2 3.95Å; F75-F81 HydrophobicContact CZ-CE2 3.95Å; F75-P83 HydrophobicContact CD1-CG 3.73Å; F75-P83 HydrophobicContact CD2-CG 4.19Å; F75-P83 HydrophobicContact CE1-CB 4.31Å; F75-P83 HydrophobicContact CE1-CG 3.7Å; F75-P83 HydrophobicContact CE2-CB 4.25Å; F75-P83 HydrophobicContact CE2-CG 4.15Å; F75-P83 HydrophobicContact CG-CG 3.98Å; F75-P83 HydrophobicContact CZ-CB 4.04Å; F75-P83 HydrophobicContact CZ-CG 3.9Å
76	L	90.1	Very high	90.5	Very high	29 Å²	29	62.5 Å²	62.5	15%	0.152	29%	0.29	C	S	.	.	H	α-helix	trans	-74.9	-5	-178.9	-67.3	-179.4	0	0	0	114.6	L72 N74 K79 L89 F91	L72-L76 HydrophobicContact CD1-CD1 3.93Å; L72-L76 HydrophobicContact CD1-CG 4.01Å; L72-L76 HydrophobicContact CG-CD1 3.91Å; L72-L76 HydrophobicContact CG-CG 4.32Å; L72-L76 WeakPolarHBondContact O-CB 3.5Å; L72-L76 WeakPolarHBondContact O-CG 3.45Å; L72-L76 PolarHBondContact O-N 3.5Å; N74-L76 PolarHBondContact O-N 3.35Å; L76-K79 VanDerWaalsContact CA-O 3.26Å; L76-K79 WeakPolarHBondContact CA-O 3.35Å; L76-K79 WeakPolarHBondContact CD2-O 3.39Å; L76-L89 HydrophobicContact CD1-CD2 4Å; L76-L89 HydrophobicContact CD1-CG 4.01Å; L76-L89 HydrophobicContact CD2-CB 4.28Å; L76-L89 HydrophobicContact CD2-CD2 4.2Å; L76-L89 HydrophobicContact CD2-CG 4.28Å; L76-F91 HydrophobicContact CD1-CB 3.96Å; L76-F91 HydrophobicContact CD1-CD2 4.13Å
77	Q	87.8	Confident	90.1	Very high	146 Å²	146	66 Å²	66	68%	0.682	30%	0.302	S	S	*	.	H	α-helix	trans	-73.7	-28.9	169.2	-77.3	173.3	-13.1	0	0	112.2	R73 N74 F75	R73-Q77 WeakPolarHBondContact O-CG 3.43Å; R73-Q77 PolarHBondContact O-N 3.43Å; N74-Q77 WeakPolarHBondContact O-CB 3.45Å; N74-Q77 PolarHBondContact O-N 3.44Å; F75-Q77 PolarHBondContact O-N 2.94Å
78	E	86.5	Confident	89.8	Confident	174 Å²	174	76.3 Å²	76.3	81%	0.813	34%	0.341	S	S	*	.	H	α-helix	trans	-107.5	-25.9	-177.5	-63.8	-176.6	-179.7	0	0	113.1	F75	F75-E78 PolarHBondContact O-N 3.23Å
79	K	88.1	Confident	89.7	Confident	95 Å²	95	76.8 Å²	76.8	41%	0.413	34%	0.344	S	S	.	.			trans	-135.4	134.2	-171.6	-63.8	177.3	-179.8	179	0	110.6	F75 L76 F81	F75-K79 HydrophobicContact CD1-CB 4.19Å; F75-K79 HydrophobicContact CE1-CB 3.73Å; F75-K79 HydrophobicContact CE1-CD 4Å; F75-K79 HydrophobicContact CE1-CG 4.47Å; F75-K79 HydrophobicContact CE2-CD 3.85Å; F75-K79 HydrophobicContact CZ-CB 4.16Å; F75-K79 HydrophobicContact CZ-CD 3.52Å; F75-K79 HydrophobicContact CZ-CG 4.44Å; F75-K79 PolarHBondContact O-N 3.25Å; F75-K79 VanDerWaalsContact O-N 3.1Å; L76-K79 VanDerWaalsContact CA-O 3.26Å; L76-K79 WeakPolarHBondContact CA-O 3.35Å; L76-K79 WeakPolarHBondContact CD2-O 3.39Å; K79-F81 HydrophobicContact CB-CD1 4.19Å; K79-F81 HydrophobicContact CB-CE1 3.83Å; K79-F81 HydrophobicContact CB-CZ 4.06Å; K79-F81 HydrophobicContact CD-CE1 4.22Å; K79-F81 HydrophobicContact CD-CE2 4.33Å; K79-F81 HydrophobicContact CD-CZ 3.72Å; K79-F81 HydrophobicContact CG-CE1 4.12Å; K79-F81 HydrophobicContact CG-CZ 4.14Å; K79-F81 PolarHBondContact O-N 3.43Å
80	D	89.9	Confident	89.4	Confident	87 Å²	87	78.5 Å²	78.5	47%	0.465	35%	0.354	S	S	.	.	S	Bend	trans	-98.6	32	-176.3	72.8	-33.4	0	0	0	113.9	R88 L89	D80-R88 CarbonylContact O-C 3.46Å; D80-R88 WeakPolarHBondContact O-CA 3.42Å; D80-R88 WeakPolarHBondContact O-CG 3.44Å; D80-R88 IonicContact OD2-CZ 3.9Å; D80-R88 IonicContact OD2-NE 3.9Å; D80-R88 PolarHBondContact OD2-NE 2.89Å; D80-R88 IonicContact OD2-NH2 2.98Å; D80-L89 CarbonylContact C-O 3.54Å; D80-L89 PolarHBondContact O-N 3.02Å
81	F	91.4	Very high	89.4	Confident	64 Å²	64	79.8 Å²	79.8	28%	0.281	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-137.5	161.3	-178	58	-98.4	0	0	0	113.2	F75 K79 R86 K87	F75-F81 HydrophobicContact CE1-CD2 4.29Å; F75-F81 HydrophobicContact CE1-CE2 4.22Å; F75-F81 VanDerWaalsContact CE1-O 3.27Å; F75-F81 WeakPolarHBondContact CE1-O 3.04Å; F75-F81 HydrophobicContact CZ-CD2 4.43Å; F75-F81 AromaticContact CZ-CE2 3.95Å; F75-F81 HydrophobicContact CZ-CE2 3.95Å; K79-F81 HydrophobicContact CB-CD1 4.19Å; K79-F81 HydrophobicContact CB-CE1 3.83Å; K79-F81 HydrophobicContact CB-CZ 4.06Å; K79-F81 HydrophobicContact CD-CE1 4.22Å; K79-F81 HydrophobicContact CD-CE2 4.33Å; K79-F81 HydrophobicContact CD-CZ 3.72Å; K79-F81 HydrophobicContact CG-CE1 4.12Å; K79-F81 HydrophobicContact CG-CZ 4.14Å; K79-F81 PolarHBondContact O-N 3.43Å; F81-R86 HydrophobicContact CD2-CB 4.24Å; F81-R86 HydrophobicContact CD2-CG 4.28Å; F81-R86 HydrophobicContact CE2-CG 4.39Å; F81-K87 CarbonylContact C-O 3.59Å; F81-K87 VanDerWaalsContact CA-O 3.24Å; F81-K87 WeakPolarHBondContact CA-O 3.32Å; F81-K87 WeakPolarHBondContact CB-O 3.45Å
82	C	91.1	Very high	89.1	Confident	0 Å²	0	87.6 Å²	87.6	0%	0	39%	0.392	C	S	.	.			trans	-68.7	131.6	176.1	-177.5	0	0	0	0	110.8	H65 L84 D85 R86 K87 L89	H65-C82 PolarHBondContact ND1-SG 2.82Å; C82-L84 PolarHBondContact O-N 2.77Å; C82-L84 VanDerWaalsContact O-N 3.15Å; C82-D85 WeakPolarHBondContact CB-OD1 3.41Å; C82-R86 WeakPolarHBondContact O-CA 3.38Å; C82-R86 PolarHBondContact O-N 2.89Å; C82-K87 PolarHBondContact N-O 3.36Å; C82-L89 HydrophobicContact CB-CB 4.47Å; C82-L89 HydrophobicContact CB-CD2 4.09Å
83	P	88.9	Confident	88.9	Confident	36 Å²	36	93 Å²	93	23%	0.234	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.2	179	-24	29.5	0	0	0	115.4	I50 F67 F75	I50-P83 HydrophobicContact CD1-CG 3.92Å; I50-P83 HydrophobicContact CG1-CB 4.36Å; I50-P83 HydrophobicContact CG1-CG 4.1Å; F67-P83 HydrophobicContact CE1-CB 4.12Å; F67-P83 HydrophobicContact CE1-CG 4.04Å; F67-P83 HydrophobicContact CE2-CG 4.44Å; F67-P83 HydrophobicContact CZ-CB 4.1Å; F67-P83 HydrophobicContact CZ-CG 3.93Å; F75-P83 HydrophobicContact CD1-CG 3.73Å; F75-P83 HydrophobicContact CD2-CG 4.19Å; F75-P83 HydrophobicContact CE1-CB 4.31Å; F75-P83 HydrophobicContact CE1-CG 3.7Å; F75-P83 HydrophobicContact CE2-CB 4.25Å; F75-P83 HydrophobicContact CE2-CG 4.15Å; F75-P83 HydrophobicContact CG-CG 3.98Å; F75-P83 HydrophobicContact CZ-CB 4.04Å; F75-P83 HydrophobicContact CZ-CG 3.9Å
84	L	86.9	Confident	88.8	Confident	73 Å²	73	89.7 Å²	89.7	38%	0.382	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-55.3	-173.6	-73.6	173.1	0	0	0	113	H49 H65 F67 C82	H49-L84 HydrophobicContact CB-CD1 4.24Å; H49-L84 HydrophobicContact CB-CD2 3.9Å; H49-L84 HydrophobicContact CB-CG 4.34Å; H65-L84 HydrophobicContact CB-CD1 3.94Å; H65-L84 WeakPolarHBondContact CD2-CD1 3.39Å; F67-L84 HydrophobicContact CE1-CD1 3.92Å; F67-L84 HydrophobicContact CE1-CG 4.01Å; F67-L84 HydrophobicContact CZ-CB 4.36Å; F67-L84 HydrophobicContact CZ-CD1 3.67Å; F67-L84 HydrophobicContact CZ-CG 3.75Å; C82-L84 PolarHBondContact O-N 2.77Å; C82-L84 VanDerWaalsContact O-N 3.15Å
85	D	90.4	Very high	89	Confident	48 Å²	48	94.1 Å²	94.1	26%	0.257	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	1.7	-176.2	70.6	1	0	0	0	114.4	C63 H65 C82 K87	C63-D85 WeakPolarHBondContact CB-OD2 3.37Å; H65-D85 IonicContact CE1-OD2 3.67Å; H65-D85 PolarHBondContact CE1-OD2 3.42Å; H65-D85 IonicContact ND1-OD2 3.69Å; C82-D85 WeakPolarHBondContact CB-OD1 3.41Å; D85-K87 PolarHBondContact O-N 2.74Å; D85-K87 WeakPolarHBondContact OD1-CB 3.26Å; D85-K87 PolarHBondContact OD1-N 3.01Å; D85-K87 VanDerWaalsContact OD1-N 3.1Å; D85-K87 WeakPolarHBondContact OD2-CD 3.44Å; D85-K87 VanDerWaalsContact OD2-CE 3.24Å; D85-K87 WeakPolarHBondContact OD2-CE 3.29Å; D85-K87 IonicContact OD2-NZ 3.84Å; D85-K87 PolarHBondContact OD2-NZ 3.19Å
86	R	89.4	Confident	89	Confident	199 Å²	199	100.5 Å²	100.5	75%	0.751	45%	0.454	S	S	*	.			trans	56.9	17.1	179.3	-54.7	-178.9	-179.2	-179.5	-0.2	114.5	F81 C82	F81-R86 HydrophobicContact CD2-CB 4.24Å; F81-R86 HydrophobicContact CD2-CG 4.28Å; F81-R86 HydrophobicContact CE2-CG 4.39Å; C82-R86 WeakPolarHBondContact O-CA 3.38Å; C82-R86 PolarHBondContact O-N 2.89Å
87	K	86.8	Confident	89	Confident	111 Å²	111	99.4 Å²	99.4	48%	0.483	45%	0.449	S	S	.	.			trans	-69.6	143.5	171.9	-68.8	-177.4	-167.2	133.9	0	110.1	C63 F81 C82 D85 L89	C63-K87 HydrophobicContact CB-CD 4.06Å; F81-K87 CarbonylContact C-O 3.59Å; F81-K87 VanDerWaalsContact CA-O 3.24Å; F81-K87 WeakPolarHBondContact CA-O 3.32Å; F81-K87 WeakPolarHBondContact CB-O 3.45Å; C82-K87 PolarHBondContact N-O 3.36Å; D85-K87 PolarHBondContact O-N 2.74Å; D85-K87 WeakPolarHBondContact OD1-CB 3.26Å; D85-K87 PolarHBondContact OD1-N 3.01Å; D85-K87 VanDerWaalsContact OD1-N 3.1Å; D85-K87 WeakPolarHBondContact OD2-CD 3.44Å; D85-K87 VanDerWaalsContact OD2-CE 3.24Å; D85-K87 WeakPolarHBondContact OD2-CE 3.29Å; D85-K87 IonicContact OD2-NZ 3.84Å; D85-K87 PolarHBondContact OD2-NZ 3.19Å; K87-L89 PolarHBondContact O-N 2.78Å
88	R	89.1	Confident	89.1	Confident	216 Å²	216	95.3 Å²	95.3	82%	0.815	44%	0.437	S	S	*	.	B	Isolated β-bridge	trans	-56.9	129.4	179.7	-161.2	176.2	-169.7	-168.3	-0.9	110.5	D80	D80-R88 CarbonylContact O-C 3.46Å; D80-R88 WeakPolarHBondContact O-CA 3.42Å; D80-R88 WeakPolarHBondContact O-CG 3.44Å; D80-R88 IonicContact OD2-CZ 3.9Å; D80-R88 IonicContact OD2-NE 3.9Å; D80-R88 PolarHBondContact OD2-NE 2.89Å; D80-R88 IonicContact OD2-NH2 2.98Å
89	L	90.9	Very high	89	Confident	10 Å²	10	91.4 Å²	91.4	5%	0.052	42%	0.42	C	S	.	.			trans	-139.6	126.7	-170	-177.9	63.8	0	0	0	110.4	T61 P62 L72 L76 D80 C82 K87	T61-L89 HydrophobicContact CG2-CD1 4.14Å; T61-L89 HydrophobicContact CG2-CD2 3.51Å; T61-L89 HydrophobicContact CG2-CG 4.49Å; P62-L89 VanDerWaalsContact CD-CD1 3.49Å; P62-L89 HydrophobicContact CG-CD1 4.37Å; L72-L89 HydrophobicContact CD1-CD2 3.98Å; L76-L89 HydrophobicContact CD1-CD2 4Å; L76-L89 HydrophobicContact CD1-CG 4.01Å; L76-L89 HydrophobicContact CD2-CB 4.28Å; L76-L89 HydrophobicContact CD2-CD2 4.2Å; L76-L89 HydrophobicContact CD2-CG 4.28Å; D80-L89 CarbonylContact C-O 3.54Å; D80-L89 PolarHBondContact O-N 3.02Å; C82-L89 HydrophobicContact CB-CB 4.47Å; C82-L89 HydrophobicContact CB-CD2 4.09Å; K87-L89 PolarHBondContact O-N 2.78Å
90	H	88.9	Confident	88.9	Confident	111 Å²	111	92.4 Å²	92.4	51%	0.514	43%	0.429	S	S	.	.			trans	-114.3	132.2	174.6	-168.4	-87.6	0	0	0	110.1	K92 L93	H90-K92 PolarHBondContact ND1-N 2.98Å; H90-K92 PolarHBondContact O-N 3.43Å; H90-K92 VanDerWaalsContact O-N 3.09Å; H90-L93 HydrophobicContact CB-CD1 4.3Å; H90-L93 HydrophobicContact CB-CG 4.49Å; H90-L93 WeakPolarHBondContact O-CB 3.15Å; H90-L93 PolarHBondContact O-N 3.24Å
91	F	87.6	Confident	88.8	Confident	60 Å²	60	89.7 Å²	89.7	26%	0.263	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-56.1	-34	-171.5	-173.2	-100.5	0	0	0	113.9	L59 Y69 R73 L76 L93 C94	L59-F91 HydrophobicContact CD1-CE2 3.73Å; L59-F91 HydrophobicContact CD1-CZ 4.03Å; Y69-F91 HydrophobicContact CD2-CZ 4.05Å; Y69-F91 HydrophobicContact CE2-CE1 4.18Å; Y69-F91 AromaticContact CE2-CZ 3.51Å; Y69-F91 HydrophobicContact CE2-CZ 3.51Å; Y69-F91 AromaticContact CZ-CZ 3.83Å; R73-F91 HydrophobicContact CB-CD2 4.27Å; R73-F91 HydrophobicContact CB-CE2 3.58Å; R73-F91 HydrophobicContact CB-CZ 3.92Å; R73-F91 HydrophobicContact CG-CD2 4.5Å; R73-F91 HydrophobicContact CG-CE2 3.99Å; R73-F91 HydrophobicContact CG-CZ 3.98Å; L76-F91 HydrophobicContact CD1-CB 3.96Å; L76-F91 HydrophobicContact CD1-CD2 4.13Å; F91-L93 PolarHBondContact O-N 3.08Å; F91-C94 WeakPolarHBondContact O-CB 3.48Å; F91-C94 PolarHBondContact O-N 2.89Å
92	K	86.3	Confident	88.5	Confident	179 Å²	179	89.2 Å²	89.2	78%	0.778	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-64.7	-19.6	177.8	-65.9	-176.7	-179.8	179.5	0	114.6	H90	H90-K92 PolarHBondContact ND1-N 2.98Å; H90-K92 PolarHBondContact O-N 3.43Å; H90-K92 VanDerWaalsContact O-N 3.09Å
93	L	86.8	Confident	88.3	Confident	113 Å²	113	94.2 Å²	94.2	59%	0.592	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-89.9	-10.7	179.8	-60.2	175.5	0	0	0	112.3	P62 H90 F91	P62-L93 HydrophobicContact CG-CB 3.83Å; H90-L93 HydrophobicContact CB-CD1 4.3Å; H90-L93 HydrophobicContact CB-CG 4.49Å; H90-L93 WeakPolarHBondContact O-CB 3.15Å; H90-L93 PolarHBondContact O-N 3.24Å; F91-L93 PolarHBondContact O-N 3.08Å
94	C	90	Very high	88.3	Confident	19 Å²	19	96.4 Å²	96.4	13%	0.128	45%	0.446	C	S	.	.			trans	-74.1	135.1	176.2	-59	0	0	0	0	110.1	L59 D60 L72 F91	L59-C94 HydrophobicContact CD1-CB 4.42Å; D60-C94 WeakPolarHBondContact O-CA 3.43Å; L72-C94 HydrophobicContact CD2-CB 4.42Å; F91-C94 WeakPolarHBondContact O-CB 3.48Å; F91-C94 PolarHBondContact O-N 2.89Å
95	K	91.9	Very high	88.5	Confident	160 Å²	160	93 Å²	93	70%	0.696	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	154.7	178.5	-65.6	-176.5	179.6	-178	0	109.6	L59 D60 S97	L59-K95 CarbonylContact C-O 3.59Å; L59-K95 WeakPolarHBondContact CA-O 3.38Å; D60-K95 PolarHBondContact N-O 2.94Å; D60-K95 PolarHBondContact O-N 2.95Å; K95-S97 PolarHBondContact O-N 3.4Å
96	K	90.5	Very high	88.5	Confident	180 Å²	180	93.5 Å²	93.5	78%	0.783	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	137.9	168.1	-67.3	-175.8	179.6	-179.8	0	108.7	L59	L59-K96 HydrophobicContact CD2-CG 4.36Å
97	S	89.9	Confident	88.5	Confident	6 Å²	6	90.2 Å²	90.2	4%	0.042	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-65.9	160.3	178.7	-52.4	0	0	0	0	112	P58 L59 D60 T66 K95 H102	P58-S97 WeakPolarHBondContact CB-OG 3.45Å; P58-S97 PolarHBondContact O-N 3.12Å; P58-S97 PolarHBondContact O-OG 2.71Å; P58-S97 VanDerWaalsContact O-OG 3.12Å; L59-S97 PolarHBondContact N-OG 3.41Å; D60-S97 PolarHBondContact N-OG 2.79Å; D60-S97 VanDerWaalsContact OD1-CB 3.28Å; D60-S97 WeakPolarHBondContact OD1-CB 3.47Å; D60-S97 PolarHBondContact OD1-OG 3.32Å; D60-S97 VanDerWaalsContact OD2-CA 3.25Å; D60-S97 WeakPolarHBondContact OD2-CA 3.42Å; T66-S97 VanDerWaalsContact CG2-OG 3.28Å; T66-S97 WeakPolarHBondContact CG2-OG 3.34Å; K95-S97 PolarHBondContact O-N 3.4Å; S97-H102 PolarHBondContact O-CE1 3.35Å; S97-H102 PolarHBondContact O-ND1 2.86Å
98	S	90.1	Very high	88.7	Confident	61 Å²	61	86.3 Å²	86.3	43%	0.427	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-53.4	152.3	-177.6	74	0	0	0	0	112.8	L100 V101 H102	S98-L100 PolarHBondContact O-N 3.44Å; S98-V101 PolarHBondContact O-N 3.19Å; S98-V101 VanDerWaalsContact O-N 3.11Å; S98-V101 WeakPolarHBondContact OG-CG2 3.43Å; S98-V101 PolarHBondContact OG-N 3.12Å; S98-H102 PolarHBondContact O-N 3.36Å; S98-H102 PolarHBondContact O-ND1 3.16Å
99	I	84.8	Confident	88.9	Confident	92 Å²	92	80.3 Å²	80.3	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-29.5	176.5	-64.9	165.2	0	0	0	110.6	H102 K103 I226	I99-H102 PolarHBondContact O-N 3.47Å; I99-K103 HydrophobicContact CG2-CD 4.25Å; I99-K103 HydrophobicContact CG2-CG 4.22Å; I99-K103 WeakPolarHBondContact O-CB 3.39Å; I99-K103 WeakPolarHBondContact O-CG 3.41Å; I99-K103 PolarHBondContact O-N 3.44Å; I99-I226 HydrophobicContact CB-CD1 4.4Å; I99-I226 HydrophobicContact CD1-CD1 3.99Å
100	L	86.1	Confident	88.9	Confident	115 Å²	115	79.8 Å²	79.8	60%	0.602	38%	0.383	S	S	*	.	H	α-helix	trans	-61.2	-46.6	175.4	-177.4	64	0	0	0	111.6	S98 H102 K103 L104	S98-L100 PolarHBondContact O-N 3.44Å; L100-H102 VanDerWaalsContact C-N 3.29Å; L100-H102 PolarHBondContact O-N 2.96Å; L100-K103 PolarHBondContact O-N 2.89Å; L100-L104 HydrophobicContact CD1-CG 4.45Å; L100-L104 HydrophobicContact CG-CD1 4.2Å; L100-L104 HydrophobicContact CG-CG 4.48Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.29Å; L100-L104 PolarHBondContact O-N 3.17Å
101	V	86.8	Confident	89	Confident	30 Å²	30	77.5 Å²	77.5	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-60.6	-41.8	177.4	175.6	0	0	0	0	110.4	L46 P58 S98 L104 L105	L46-V101 HydrophobicContact CD2-CG1 4.22Å; P58-V101 HydrophobicContact CB-CG1 4.23Å; P58-V101 HydrophobicContact CG-CG1 3.97Å; S98-V101 PolarHBondContact O-N 3.19Å; S98-V101 VanDerWaalsContact O-N 3.11Å; S98-V101 WeakPolarHBondContact OG-CG2 3.43Å; S98-V101 PolarHBondContact OG-N 3.12Å; V101-L104 PolarHBondContact O-N 3.35Å; V101-L105 HydrophobicContact CG1-CD1 3.84Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 WeakPolarHBondContact O-CD1 3.38Å; V101-L105 WeakPolarHBondContact O-CG 3.38Å; V101-L105 PolarHBondContact O-N 3.08Å
102	H	86.2	Confident	89.1	Confident	54 Å²	54	74.7 Å²	74.7	25%	0.25	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-48.3	174.9	-69.2	81	0	0	0	111.8	S97 S98 I99 L100 L104 L105 D106	S97-H102 PolarHBondContact O-CE1 3.35Å; S97-H102 PolarHBondContact O-ND1 2.86Å; S98-H102 PolarHBondContact O-N 3.36Å; S98-H102 PolarHBondContact O-ND1 3.16Å; I99-H102 PolarHBondContact O-N 3.47Å; L100-H102 VanDerWaalsContact C-N 3.29Å; L100-H102 PolarHBondContact O-N 2.96Å; H102-L104 VanDerWaalsContact C-N 3.31Å; H102-L104 PolarHBondContact O-N 2.83Å; H102-L105 PolarHBondContact O-N 2.77Å; H102-D106 WeakPolarHBondContact O-CB 3.39Å; H102-D106 PolarHBondContact O-N 3.15Å
103	K	85	Confident	89.1	Confident	106 Å²	106	67.6 Å²	67.6	46%	0.461	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-36	177.4	-75.2	-173.1	176	-169.6	0	112.9	I99 L100 K107	I99-K103 HydrophobicContact CG2-CD 4.25Å; I99-K103 HydrophobicContact CG2-CG 4.22Å; I99-K103 WeakPolarHBondContact O-CB 3.39Å; I99-K103 WeakPolarHBondContact O-CG 3.41Å; I99-K103 PolarHBondContact O-N 3.44Å; L100-K103 PolarHBondContact O-N 2.89Å; K103-K107 VanDerWaalsContact O-CG 3.31Å; K103-K107 WeakPolarHBondContact O-CG 3.48Å; K103-K107 PolarHBondContact O-N 2.93Å
104	L	89.8	Confident	89.1	Confident	82 Å²	82	63.6 Å²	63.6	43%	0.429	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-45.9	176.2	-72.6	172.6	0	0	0	111.2	L46 L100 V101 H102 D106 K107	L46-L104 HydrophobicContact CD1-CB 4.01Å; L46-L104 HydrophobicContact CD2-CB 4.36Å; L46-L104 HydrophobicContact CD2-CD1 4.46Å; L100-L104 HydrophobicContact CD1-CG 4.45Å; L100-L104 HydrophobicContact CG-CD1 4.2Å; L100-L104 HydrophobicContact CG-CG 4.48Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.29Å; L100-L104 PolarHBondContact O-N 3.17Å; V101-L104 PolarHBondContact O-N 3.35Å; H102-L104 VanDerWaalsContact C-N 3.31Å; H102-L104 PolarHBondContact O-N 2.83Å; L104-D106 VanDerWaalsContact C-N 3.32Å; L104-D106 PolarHBondContact O-N 2.86Å; L104-K107 PolarHBondContact O-N 2.88Å
105	L	90.5	Very high	88.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67.1	-33.8	178.3	-65.8	161.1	0	0	0	112.3	L46 P54 L55 P58 V101 H102 K107 L108 R124	L46-L105 HydrophobicContact CB-CD2 3.84Å; L46-L105 HydrophobicContact CD1-CD2 4.42Å; L46-L105 HydrophobicContact CD2-CD2 4.29Å; L46-L105 HydrophobicContact CD2-CG 4.3Å; L46-L105 HydrophobicContact CG-CD2 4.42Å; P54-L105 HydrophobicContact CB-CD2 4.4Å; L55-L105 HydrophobicContact CB-CD1 3.71Å; L55-L105 HydrophobicContact CB-CD2 3.95Å; L55-L105 HydrophobicContact CB-CG 4.5Å; P58-L105 HydrophobicContact CB-CD1 4.48Å; P58-L105 HydrophobicContact CG-CD1 3.83Å; V101-L105 HydrophobicContact CG1-CD1 3.84Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 WeakPolarHBondContact O-CD1 3.38Å; V101-L105 WeakPolarHBondContact O-CG 3.38Å; V101-L105 PolarHBondContact O-N 3.08Å; H102-L105 PolarHBondContact O-N 2.77Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-L108 HydrophobicContact CD2-CD1 4.09Å; L105-L108 WeakPolarHBondContact O-CB 3.38Å; L105-L108 VanDerWaalsContact O-CG 3.31Å; L105-L108 WeakPolarHBondContact O-CG 3.45Å; L105-L108 PolarHBondContact O-N 2.87Å; L105-R124 VanDerWaalsContact CB-CZ 3.5Å; L105-R124 PolarHBondContact O-NE 3.16Å
106	D	90.3	Very high	88.1	Confident	59 Å²	59	64.1 Å²	64.1	32%	0.316	34%	0.336	S	S	.	.	H	α-helix	trans	-70.7	-29.3	179.8	-72.7	-10.9	0	0	0	113.1	H102 L104 L108 R124 C125	H102-D106 WeakPolarHBondContact O-CB 3.39Å; H102-D106 PolarHBondContact O-N 3.15Å; L104-D106 VanDerWaalsContact C-N 3.32Å; L104-D106 PolarHBondContact O-N 2.86Å; D106-L108 VanDerWaalsContact C-N 3.26Å; D106-L108 PolarHBondContact O-N 2.89Å; D106-R124 PolarHBondContact O-N 3.19Å; D106-R124 VanDerWaalsContact O-N 3.12Å; D106-R124 IonicContact OD1-CZ 3.47Å; D106-R124 IonicContact OD1-NE 2.77Å; D106-R124 IonicContact OD1-NH2 2.74Å; D106-R124 PolarHBondContact OD1-NH2 3.09Å; D106-C125 HydrophobicContact CB-CB 3.96Å; D106-C125 PolarHBondContact O-N 3.37Å
107	K	90.1	Very high	87.8	Confident	131 Å²	131	59.6 Å²	59.6	57%	0.57	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.8	174.5	-73.2	178.3	180	-172.3	0	114.2	K103 L104 L105 F109	K103-K107 VanDerWaalsContact O-CG 3.31Å; K103-K107 WeakPolarHBondContact O-CG 3.48Å; K103-K107 PolarHBondContact O-N 2.93Å; L104-K107 PolarHBondContact O-N 2.88Å; L105-K107 VanDerWaalsContact C-N 3.33Å; K107-F109 PolarHBondContact O-N 2.76Å
108	L	91.7	Very high	87.6	Confident	28 Å²	28	59.8 Å²	59.8	15%	0.147	33%	0.325	C	S	.	.	S	Bend	trans	-63.2	132.5	177.2	-64.9	176.3	0	0	0	110.1	Y38 V42 P54 L105 D106 Q123 R124	Y38-L108 HydrophobicContact CD1-CB 3.98Å; Y38-L108 HydrophobicContact CD1-CD1 4.25Å; Y38-L108 HydrophobicContact CE1-CB 3.83Å; Y38-L108 HydrophobicContact CE1-CD1 3.73Å; Y38-L108 HydrophobicContact CE1-CG 4.44Å; V42-L108 HydrophobicContact CG1-CD1 3.71Å; V42-L108 HydrophobicContact CG1-CD2 3.97Å; V42-L108 HydrophobicContact CG2-CD1 4.01Å; V42-L108 HydrophobicContact CG2-CD2 4.1Å; P54-L108 HydrophobicContact CB-CD1 4.02Å; L105-L108 HydrophobicContact CD2-CD1 4.09Å; L105-L108 WeakPolarHBondContact O-CB 3.38Å; L105-L108 VanDerWaalsContact O-CG 3.31Å; L105-L108 WeakPolarHBondContact O-CG 3.45Å; L105-L108 PolarHBondContact O-N 2.87Å; D106-L108 VanDerWaalsContact C-N 3.26Å; D106-L108 PolarHBondContact O-N 2.89Å; L108-Q123 CarbonylContact O-C 3.59Å; L108-R124 WeakPolarHBondContact O-CB 3.49Å; L108-R124 PolarHBondContact O-N 2.78Å
109	F	92.5	Very high	87.4	Confident	90 Å²	90	65.3 Å²	65.3	40%	0.395	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.3	179.2	-74.8	-80.3	0	0	0	111.3	Y38 Q39 K107 V121 M122 Q123	Y38-F109 WeakPolarHBondContact CA-O 3.46Å; Q39-F109 HydrophobicContact CB-CB 4.44Å; Q39-F109 PolarHBondContact N-O 2.83Å; K107-F109 PolarHBondContact O-N 2.76Å; F109-V121 HydrophobicContact CB-CG1 4.14Å; F109-V121 HydrophobicContact CD1-CG1 3.9Å; F109-V121 HydrophobicContact CG-CG1 4.39Å; F109-M122 CarbonylContact C-O 3.56Å; F109-M122 WeakPolarHBondContact CA-O 2.79Å; F109-Q123 HydrophobicContact CE1-CG 4.14Å; F109-Q123 HydrophobicContact CZ-CG 4.44Å
110	V	92.1	Very high	87.4	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.4	179.1	-59.5	0	0	0	0	110.5	Y36 N37 Y38 M122 R124 L127	Y36-V110 HydrophobicContact CD1-CG1 4.26Å; Y36-V110 HydrophobicContact CG-CG1 4.42Å; N37-V110 CarbonylContact O-C 3.6Å; N37-V110 VanDerWaalsContact O-CA 3.28Å; N37-V110 WeakPolarHBondContact O-CA 3.29Å; Y38-V110 HydrophobicContact CD1-CG1 3.65Å; Y38-V110 HydrophobicContact CE1-CG1 3.72Å; Y38-V110 HydrophobicContact CG-CG1 4.35Å; V110-M122 HydrophobicContact CG2-CG 4.38Å; V110-M122 PolarHBondContact N-O 2.87Å; V110-M122 PolarHBondContact O-N 2.74Å; V110-M122 VanDerWaalsContact O-N 3.1Å; V110-R124 HydrophobicContact CG1-CB 3.94Å; V110-R124 HydrophobicContact CG1-CG 3.99Å; V110-R124 HydrophobicContact CG2-CB 4.42Å; V110-L127 HydrophobicContact CG2-CB 3.94Å; V110-L127 HydrophobicContact CG2-CD1 4.45Å; V110-L127 HydrophobicContact CG2-CD2 3.93Å; V110-L127 HydrophobicContact CG2-CG 4.32Å
111	L	90.6	Very high	87.6	Confident	62 Å²	62	63.4 Å²	63.4	33%	0.325	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.6	173.3	-66.9	132.1	0	0	0	109.7	N37 Q39 V121	N37-L111 HydrophobicContact CB-CB 4.1Å; N37-L111 PolarHBondContact O-N 3.26Å; Q39-L111 HydrophobicContact CB-CD1 4.05Å; Q39-L111 HydrophobicContact CB-CG 4.36Å; Q39-L111 HydrophobicContact CG-CD1 4.4Å; L111-V121 HydrophobicContact CD2-CG2 3.81Å; L111-V121 HydrophobicContact CG-CG2 4.32Å
112	C	89.8	Confident	87.8	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.014	33%	0.329	C	S	.	.			trans	-57.3	130.6	169.5	-173.1	0	0	0	0	110.2	F114 S115 C118 E120	C112-F114 PolarHBondContact O-N 3.4Å; C112-F114 VanDerWaalsContact O-N 3.12Å; C112-S115 PolarHBondContact O-N 2.82Å; C112-C118 HydrophobicContact CB-CB 4.35Å; C112-E120 PolarHBondContact N-O 3.29Å; C112-E120 VanDerWaalsContact N-O 3.09Å
113	P	86.5	Confident	88.1	Confident	30 Å²	30	63.6 Å²	63.6	20%	0.195	33%	0.333	C	S	.	.	S	Bend	trans	-67	-12.2	-179.6	27.9	-36.6	0	0	0	113.3	Q26 S115 L131	Q26-P113 HydrophobicContact CG-CB 4.08Å; P113-S115 VanDerWaalsContact C-N 3.31Å; P113-S115 PolarHBondContact O-N 3.43Å; P113-L131 HydrophobicContact CG-CD2 4.24Å
114	F	85.1	Confident	88.4	Confident	28 Å²	28	59.4 Å²	59.4	12%	0.123	31%	0.314	C	S	.	.			trans	-94.1	48.1	175	-61.5	-78.7	0	0	0	111.9	L20 C112 S116 V117 C118 L131 A138	L20-F114 HydrophobicContact CD1-CE1 4.46Å; L20-F114 HydrophobicContact CD1-CZ 4.05Å; C112-F114 PolarHBondContact O-N 3.4Å; C112-F114 VanDerWaalsContact O-N 3.12Å; F114-S116 PolarHBondContact O-N 3.04Å; F114-V117 HydrophobicContact CB-CG2 3.91Å; F114-V117 PolarHBondContact O-N 3.49Å; F114-C118 PolarHBondContact O-N 2.69Å; F114-L131 HydrophobicContact CD2-CD2 3.87Å; F114-L131 HydrophobicContact CE2-CD2 3.76Å; F114-A138 HydrophobicContact CD2-CB 4.33Å; F114-A138 HydrophobicContact CE2-CB 3.83Å; F114-A138 HydrophobicContact CZ-CB 4.4Å
115	S	80.8	Confident	88.4	Confident	81 Å²	81	58.3 Å²	58.3	57%	0.566	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.2	-173.5	58.2	0	0	0	0	114.7	C112 P113 V117 C118	C112-S115 PolarHBondContact O-N 2.82Å; P113-S115 VanDerWaalsContact C-N 3.31Å; P113-S115 PolarHBondContact O-N 3.43Å; S115-V117 VanDerWaalsContact C-N 3.28Å; S115-V117 PolarHBondContact O-N 2.87Å; S115-C118 WeakPolarHBondContact CA-O 3.34Å
116	S	81.4	Confident	88.4	Confident	109 Å²	109	62 Å²	62	76%	0.762	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.9	176.6	63	0	0	0	0	114.3	F114	F114-S116 PolarHBondContact O-N 3.04Å
117	V	84	Confident	88.3	Confident	86 Å²	86	59.3 Å²	59.3	52%	0.521	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-9.4	-175.4	-68.8	0	0	0	0	113.4	F114 S115 G137	F114-V117 HydrophobicContact CB-CG2 3.91Å; F114-V117 PolarHBondContact O-N 3.49Å; S115-V117 VanDerWaalsContact C-N 3.28Å; S115-V117 PolarHBondContact O-N 2.87Å; V117-G137 VanDerWaalsContact CG2-CA 3.4Å
118	C	85.4	Confident	88.1	Confident	10 Å²	10	54.9 Å²	54.9	7%	0.068	31%	0.306	C	S	.	.			trans	-144.9	112.2	178.4	-176.2	0	0	0	0	109.3	C112 F114 S115 H130	C112-C118 HydrophobicContact CB-CB 4.35Å; F114-C118 PolarHBondContact O-N 2.69Å; S115-C118 WeakPolarHBondContact CA-O 3.34Å; C118-H130 VanDerWaalsContact SG-CE1 3.5Å; C118-H130 PolarHBondContact SG-NE2 3.01Å
119	Q	86.1	Confident	87.8	Confident	177 Å²	177	56 Å²	56	83%	0.827	32%	0.319	S	S	*	.			trans	-97.6	17.6	179.6	-64.3	-174.6	-1.9	0	0	112.8
120	E	84.9	Confident	87.6	Confident	109 Å²	109	52.2 Å²	52.2	51%	0.509	30%	0.302	S	S	.	.			trans	-69.8	137.7	-177.4	-68.9	-130.3	142.9	0	0	112.2	C112 M122 H130	C112-E120 PolarHBondContact N-O 3.29Å; C112-E120 VanDerWaalsContact N-O 3.09Å; E120-M122 HydrophobicContact CB-CE 3.57Å; E120-H130 IonicContact OE2-CE1 2.71Å; E120-H130 IonicContact OE2-ND1 3.66Å; E120-H130 PolarHBondContact OE2-ND1 2.86Å
121	V	89.8	Confident	87.3	Confident	57 Å²	57	52.5 Å²	52.5	35%	0.345	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.3	172.1	174	0	0	0	0	107.2	F109 L111	F109-V121 HydrophobicContact CB-CG1 4.14Å; F109-V121 HydrophobicContact CD1-CG1 3.9Å; F109-V121 HydrophobicContact CG-CG1 4.39Å; L111-V121 HydrophobicContact CD2-CG2 3.81Å; L111-V121 HydrophobicContact CG-CG2 4.32Å
122	M	90.9	Very high	86.9	Confident	18 Å²	18	56.3 Å²	56.3	9%	0.089	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	170	-177.5	64.9	-156.8	66	0	0	111.4	F109 V110 E120 D126 L127 H130	F109-M122 CarbonylContact C-O 3.56Å; F109-M122 WeakPolarHBondContact CA-O 2.79Å; V110-M122 HydrophobicContact CG2-CG 4.38Å; V110-M122 PolarHBondContact N-O 2.87Å; V110-M122 PolarHBondContact O-N 2.74Å; V110-M122 VanDerWaalsContact O-N 3.1Å; E120-M122 HydrophobicContact CB-CE 3.57Å; M122-D126 HydrophobicContact CB-CB 4.36Å; M122-D126 HydrophobicContact CG-CB 4.38Å; M122-L127 HydrophobicContact CG-CB 4.5Å; M122-L127 HydrophobicContact SD-CB 4.29Å; M122-L127 HydrophobicContact SD-CD1 3.9Å; M122-H130 HydrophobicContact CE-CB 3.86Å; M122-H130 WeakPolarHBondContact CE-ND1 3.41Å; M122-H130 HydrophobicContact SD-CB 3.28Å; M122-H130 WeakPolarHBondContact SD-CB 3.24Å; M122-H130 VanDerWaalsContact SD-CG 3.52Å
123	Q	93.4	Very high	86.6	Confident	70 Å²	70	62 Å²	62	33%	0.327	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	147.4	171.9	-65.8	-176.3	6.1	0	0	110.2	L108 F109 C125 D126 L127	L108-Q123 CarbonylContact O-C 3.59Å; F109-Q123 HydrophobicContact CE1-CG 4.14Å; F109-Q123 HydrophobicContact CZ-CG 4.44Å; Q123-C125 PolarHBondContact O-N 2.93Å; Q123-C125 VanDerWaalsContact O-N 3.17Å; Q123-D126 PolarHBondContact O-N 2.92Å; Q123-L127 PolarHBondContact O-N 3.2Å
124	R	91.3	Very high	86.5	Confident	19 Å²	19	70.6 Å²	70.6	7%	0.072	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-56.1	-35.9	-175.8	-170.8	-176.7	70.5	166.8	6.8	112.5	Y36 Y38 L55 L105 D106 L108 V110 D126 L127	Y36-R124 HydrophobicContact CD1-CG 3.75Å; Y36-R124 HydrophobicContact CE1-CG 3.74Å; Y36-R124 HydrophobicContact CG-CG 4.16Å; Y38-R124 VanDerWaalsContact OH-CD 3.31Å; Y38-R124 WeakPolarHBondContact OH-CD 3.43Å; Y38-R124 PolarHBondContact OH-NH1 3.5Å; L55-R124 PolarHBondContact O-NH1 3.1Å; L105-R124 VanDerWaalsContact CB-CZ 3.5Å; L105-R124 PolarHBondContact O-NE 3.16Å; D106-R124 PolarHBondContact O-N 3.19Å; D106-R124 VanDerWaalsContact O-N 3.12Å; D106-R124 IonicContact OD1-CZ 3.47Å; D106-R124 IonicContact OD1-NE 2.77Å; D106-R124 IonicContact OD1-NH2 2.74Å; D106-R124 PolarHBondContact OD1-NH2 3.09Å; L108-R124 WeakPolarHBondContact O-CB 3.49Å; L108-R124 PolarHBondContact O-N 2.78Å; V110-R124 HydrophobicContact CG1-CB 3.94Å; V110-R124 HydrophobicContact CG1-CG 3.99Å; V110-R124 HydrophobicContact CG2-CB 4.42Å; R124-D126 VanDerWaalsContact C-N 3.28Å; R124-D126 PolarHBondContact O-N 2.9Å; R124-L127 PolarHBondContact O-N 2.92Å
125	C	89.8	Confident	86.5	Confident	59 Å²	59	69.4 Å²	69.4	40%	0.399	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-64.6	-30	176.3	56.8	0	0	0	0	113.6	D106 Q123	D106-C125 HydrophobicContact CB-CB 3.96Å; D106-C125 PolarHBondContact O-N 3.37Å; Q123-C125 PolarHBondContact O-N 2.93Å; Q123-C125 VanDerWaalsContact O-N 3.17Å
126	D	90.8	Very high	86.5	Confident	78 Å²	78	68.6 Å²	68.6	42%	0.417	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-85.1	-15.4	-175.4	-62	-30	0	0	0	112.6	M122 Q123 R124 A128 A129 H130	M122-D126 HydrophobicContact CB-CB 4.36Å; M122-D126 HydrophobicContact CG-CB 4.38Å; Q123-D126 PolarHBondContact O-N 2.92Å; R124-D126 VanDerWaalsContact C-N 3.28Å; R124-D126 PolarHBondContact O-N 2.9Å; D126-A128 VanDerWaalsContact C-N 3.34Å; D126-A128 PolarHBondContact O-N 2.86Å; D126-A129 PolarHBondContact O-N 3.14Å; D126-A129 VanDerWaalsContact O-N 3.13Å; D126-H130 WeakPolarHBondContact O-CB 3.45Å; D126-H130 PolarHBondContact O-N 3.49Å
127	L	87.8	Confident	86.4	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-43.1	-176	-176.5	64.1	0	0	0	112.4	Y36 V110 M122 Q123 R124 A129 H130 L131	Y36-L127 HydrophobicContact CD1-CD2 3.59Å; Y36-L127 HydrophobicContact CE1-CD2 3.83Å; V110-L127 HydrophobicContact CG2-CB 3.94Å; V110-L127 HydrophobicContact CG2-CD1 4.45Å; V110-L127 HydrophobicContact CG2-CD2 3.93Å; V110-L127 HydrophobicContact CG2-CG 4.32Å; M122-L127 HydrophobicContact CG-CB 4.5Å; M122-L127 HydrophobicContact SD-CB 4.29Å; M122-L127 HydrophobicContact SD-CD1 3.9Å; Q123-L127 PolarHBondContact O-N 3.2Å; R124-L127 PolarHBondContact O-N 2.92Å; L127-A129 VanDerWaalsContact C-N 3.33Å; L127-A129 PolarHBondContact O-N 2.83Å; L127-H130 PolarHBondContact O-N 3.21Å; L127-L131 HydrophobicContact CD1-CD1 4.27Å; L127-L131 HydrophobicContact CD1-CG 4.09Å; L127-L131 HydrophobicContact CG-CD1 3.98Å; L127-L131 HydrophobicContact CG-CG 4.24Å; L127-L131 WeakPolarHBondContact O-CB 3.23Å; L127-L131 VanDerWaalsContact O-CG 3.22Å; L127-L131 WeakPolarHBondContact O-CG 3.2Å; L127-L131 PolarHBondContact O-N 3.47Å
128	A	84.9	Confident	86.3	Confident	39 Å²	39	60 Å²	60	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-41.5	178.8	0	0	0	0	0	111.6	D126 K132	D126-A128 VanDerWaalsContact C-N 3.34Å; D126-A128 PolarHBondContact O-N 2.86Å; A128-K132 VanDerWaalsContact O-CB 3.31Å; A128-K132 WeakPolarHBondContact O-CB 3.45Å; A128-K132 PolarHBondContact O-N 2.89Å
129	A	86.9	Confident	86.1	Confident	50 Å²	50	62.6 Å²	62.6	41%	0.413	33%	0.328	S	S	.	.	H	α-helix	trans	-69.1	-41.8	178.1	0	0	0	0	0	111.9	D126 L127 K132 N133	D126-A129 PolarHBondContact O-N 3.14Å; D126-A129 VanDerWaalsContact O-N 3.13Å; L127-A129 VanDerWaalsContact C-N 3.33Å; L127-A129 PolarHBondContact O-N 2.83Å; A129-K132 PolarHBondContact O-N 2.94Å; A129-N133 WeakPolarHBondContact O-CB 3.46Å; A129-N133 PolarHBondContact O-N 3.34Å
130	H	88.2	Confident	85.6	Confident	11 Å²	11	61.1 Å²	61.1	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-51.1	173.9	169.2	90.7	0	0	0	111.1	C118 E120 M122 D126 L127 K132 N133 R134 C135	C118-H130 VanDerWaalsContact SG-CE1 3.5Å; C118-H130 PolarHBondContact SG-NE2 3.01Å; E120-H130 IonicContact OE2-CE1 2.71Å; E120-H130 IonicContact OE2-ND1 3.66Å; E120-H130 PolarHBondContact OE2-ND1 2.86Å; M122-H130 HydrophobicContact CE-CB 3.86Å; M122-H130 WeakPolarHBondContact CE-ND1 3.41Å; M122-H130 HydrophobicContact SD-CB 3.28Å; M122-H130 WeakPolarHBondContact SD-CB 3.24Å; M122-H130 VanDerWaalsContact SD-CG 3.52Å; D126-H130 WeakPolarHBondContact O-CB 3.45Å; D126-H130 PolarHBondContact O-N 3.49Å; L127-H130 PolarHBondContact O-N 3.21Å; H130-K132 VanDerWaalsContact C-N 3.25Å; H130-K132 PolarHBondContact O-N 2.97Å; H130-N133 PolarHBondContact O-N 3.1Å; H130-R134 CarbonylContact O-C 3.53Å; H130-R134 PolarHBondContact O-N 2.91Å; H130-C135 VanDerWaalsContact NE2-CB 3.33Å; H130-C135 WeakPolarHBondContact NE2-CB 3.31Å; H130-C135 WeakPolarHBondContact O-CB 3.33Å; H130-C135 PolarHBondContact O-N 3.13Å
131	L	85.2	Confident	85	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-56.4	-43.8	177	-72.9	176.5	0	0	0	110.3	P113 F114 L127 C135 A138 R142	P113-L131 HydrophobicContact CG-CD2 4.24Å; F114-L131 HydrophobicContact CD2-CD2 3.87Å; F114-L131 HydrophobicContact CE2-CD2 3.76Å; L127-L131 HydrophobicContact CD1-CD1 4.27Å; L127-L131 HydrophobicContact CD1-CG 4.09Å; L127-L131 HydrophobicContact CG-CD1 3.98Å; L127-L131 HydrophobicContact CG-CG 4.24Å; L127-L131 WeakPolarHBondContact O-CB 3.23Å; L127-L131 VanDerWaalsContact O-CG 3.22Å; L127-L131 WeakPolarHBondContact O-CG 3.2Å; L127-L131 PolarHBondContact O-N 3.47Å; L131-C135 HydrophobicContact CD2-CB 4.28Å; L131-A138 HydrophobicContact CD2-CB 4.21Å; L131-A138 WeakPolarHBondContact O-CB 3.26Å; L131-R142 PolarHBondContact O-NH2 2.78Å
132	K	82	Confident	84.3	Confident	143 Å²	143	62.3 Å²	62.3	62%	0.622	32%	0.315	S	S	*	.	H	α-helix	trans	-64.9	-47.5	-179.8	-162.5	177.6	176.6	179	0	113.5	A128 A129 H130 R142	A128-K132 VanDerWaalsContact O-CB 3.31Å; A128-K132 WeakPolarHBondContact O-CB 3.45Å; A128-K132 PolarHBondContact O-N 2.89Å; A129-K132 PolarHBondContact O-N 2.94Å; H130-K132 VanDerWaalsContact C-N 3.25Å; H130-K132 PolarHBondContact O-N 2.97Å; K132-R142 PolarHBondContact O-NH1 3.45Å; K132-R142 PolarHBondContact O-NH2 3.18Å
133	N	82.9	Confident	83.4	Confident	121 Å²	121	64.5 Å²	64.5	65%	0.647	33%	0.329	S	S	*	.	H	α-helix	trans	-118.1	-20.3	-161.1	-59.2	-33.9	0	0	0	115	A129 H130	A129-N133 WeakPolarHBondContact O-CB 3.46Å; A129-N133 PolarHBondContact O-N 3.34Å; H130-N133 PolarHBondContact O-N 3.1Å
134	R	84.1	Confident	82.3	Confident	210 Å²	210	63.8 Å²	63.8	79%	0.792	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	-23.7	-166.9	-60.6	-177.6	-178.6	-179	0.6	114.3	H130 P136	H130-R134 CarbonylContact O-C 3.53Å; H130-R134 PolarHBondContact O-N 2.91Å; R134-P136 VanDerWaalsContact O-CD 3.31Å; R134-P136 WeakPolarHBondContact O-CD 3.29Å
135	C	85.6	Confident	81.2	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.02	36%	0.355	C	S	.	.			trans	-73.6	119.4	-172.5	-173.7	0	0	0	0	113.2	H130 L131 G137 A138 S139	H130-C135 VanDerWaalsContact NE2-CB 3.33Å; H130-C135 WeakPolarHBondContact NE2-CB 3.31Å; H130-C135 WeakPolarHBondContact O-CB 3.33Å; H130-C135 PolarHBondContact O-N 3.13Å; L131-C135 HydrophobicContact CD2-CB 4.28Å; C135-G137 PolarHBondContact O-N 3.23Å; C135-A138 HydrophobicContact CB-CB 3.79Å; C135-A138 PolarHBondContact O-N 3.12Å; C135-S139 WeakPolarHBondContact O-CB 2.94Å; C135-S139 PolarHBondContact O-N 3.1Å
136	P	80.4	Confident	80	Confident	64 Å²	64	70.8 Å²	70.8	42%	0.416	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-43.6	176.3	-22.5	33.7	0	0	0	112.6	R134 A138 S139 H140	R134-P136 VanDerWaalsContact O-CD 3.31Å; R134-P136 WeakPolarHBondContact O-CD 3.29Å; P136-A138 PolarHBondContact O-N 2.98Å; P136-S139 PolarHBondContact O-N 3.19Å; P136-H140 PolarHBondContact O-CD2 3.16Å; P136-H140 PolarHBondContact O-N 3.31Å
137	G	81.1	Confident	78.8	Confident	7 Å²	7	75.7 Å²	75.7	7%	0.072	38%	0.378	C	S	.	.	H	α-helix	trans	-64.5	-39.7	-179.4	0	0	0	0	0	113.8	V117 C135 R141	V117-G137 VanDerWaalsContact CG2-CA 3.4Å; C135-G137 PolarHBondContact O-N 3.23Å; G137-R141 PolarHBondContact O-N 3.2Å
138	A	81.1	Confident	77.5	Confident	8 Å²	8	84.4 Å²	84.4	7%	0.066	41%	0.411	C	S	.	.	H	α-helix	trans	-69.8	-38.2	175.4	0	0	0	0	0	111.8	F114 L131 C135 P136 R141 R142	F114-A138 HydrophobicContact CD2-CB 4.33Å; F114-A138 HydrophobicContact CE2-CB 3.83Å; F114-A138 HydrophobicContact CZ-CB 4.4Å; L131-A138 HydrophobicContact CD2-CB 4.21Å; L131-A138 WeakPolarHBondContact O-CB 3.26Å; C135-A138 HydrophobicContact CB-CB 3.79Å; C135-A138 PolarHBondContact O-N 3.12Å; P136-A138 PolarHBondContact O-N 2.98Å; A138-R141 PolarHBondContact O-N 3.26Å; A138-R142 WeakPolarHBondContact O-CG 3.36Å; A138-R142 PolarHBondContact O-N 3.09Å
139	S	80.3	Confident	76.3	Confident	64 Å²	64	90.2 Å²	90.2	45%	0.448	43%	0.429	S	S	.	.	H	α-helix	trans	-63.6	-51	177.8	-175.1	0	0	0	0	112.1	C135 P136 R141 R142 V143	C135-S139 WeakPolarHBondContact O-CB 2.94Å; C135-S139 PolarHBondContact O-N 3.1Å; P136-S139 PolarHBondContact O-N 3.19Å; S139-R141 PolarHBondContact O-N 3.26Å; S139-R142 PolarHBondContact O-N 2.96Å; S139-R142 VanDerWaalsContact O-N 3.15Å; S139-V143 WeakPolarHBondContact O-CG2 3.36Å; S139-V143 PolarHBondContact O-N 3.4Å; S139-V143 VanDerWaalsContact O-N 3.15Å
140	H	76.8	Confident	74.8	Confident	146 Å²	146	92.8 Å²	92.8	68%	0.676	44%	0.439	S	S	*	.	H	α-helix	trans	-56.2	-38	177.1	-84.1	-74.3	0	0	0	112.6	P136 A144	P136-H140 PolarHBondContact O-CD2 3.16Å; P136-H140 PolarHBondContact O-N 3.31Å; H140-A144 PolarHBondContact O-N 2.88Å; H140-A144 VanDerWaalsContact O-N 3.11Å
141	R	71.8	Confident	73.3	Confident	110 Å²	110	96 Å²	96	42%	0.415	46%	0.463	S	S	.	.	H	α-helix	trans	-77.1	-31.1	-179.4	-163.6	159.5	-178.5	171.4	-1.6	113.3	L20 G137 A138 S139 A144 L145	L20-R141 HydrophobicContact CD1-CG 4.44Å; G137-R141 PolarHBondContact O-N 3.2Å; A138-R141 PolarHBondContact O-N 3.26Å; S139-R141 PolarHBondContact O-N 3.26Å; R141-A144 PolarHBondContact O-N 2.64Å; R141-L145 HydrophobicContact CG-CD1 4.46Å; R141-L145 WeakPolarHBondContact O-CB 3.3Å; R141-L145 WeakPolarHBondContact O-CG 3.5Å; R141-L145 PolarHBondContact O-N 3.31Å
142	R	75.1	Confident	71.7	Confident	81 Å²	81	104.2 Å²	104.2	31%	0.306	50%	0.499	S	S	.	.	H	α-helix	trans	-63	-45.8	170.4	-76.8	-174	-150.1	142.8	18.3	111.5	L131 K132 A138 S139 A144 L145 E146	L131-R142 PolarHBondContact O-NH2 2.78Å; K132-R142 PolarHBondContact O-NH1 3.45Å; K132-R142 PolarHBondContact O-NH2 3.18Å; A138-R142 WeakPolarHBondContact O-CG 3.36Å; A138-R142 PolarHBondContact O-N 3.09Å; S139-R142 PolarHBondContact O-N 2.96Å; S139-R142 VanDerWaalsContact O-N 3.15Å; R142-A144 VanDerWaalsContact C-N 3.27Å; R142-A144 PolarHBondContact O-N 2.95Å; R142-L145 PolarHBondContact O-N 3.41Å; R142-L145 VanDerWaalsContact O-N 3.13Å; R142-E146 WeakPolarHBondContact O-CG 3.3Å; R142-E146 PolarHBondContact O-N 2.76Å
143	V	72.3	Confident	69.8	Low	65 Å²	65	104.5 Å²	104.5	39%	0.394	51%	0.506	S	S	.	.	H	α-helix	trans	-60.2	-39.3	175.9	177.7	0	0	0	0	110.9	S139 R147	S139-V143 WeakPolarHBondContact O-CG2 3.36Å; S139-V143 PolarHBondContact O-N 3.4Å; S139-V143 VanDerWaalsContact O-N 3.15Å; V143-R147 WeakPolarHBondContact O-CB 3.46Å; V143-R147 VanDerWaalsContact O-CG 3.31Å; V143-R147 WeakPolarHBondContact O-CG 3.37Å; V143-R147 PolarHBondContact O-N 3.3Å
144	A	69.9	Low	67.5	Low	54 Å²	54	106.8 Å²	106.8	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-67.1	-38	175.1	0	0	0	0	0	113.4	H140 R141 R142 R148	H140-A144 PolarHBondContact O-N 2.88Å; H140-A144 VanDerWaalsContact O-N 3.11Å; R141-A144 PolarHBondContact O-N 2.64Å; R142-A144 VanDerWaalsContact C-N 3.27Å; R142-A144 PolarHBondContact O-N 2.95Å; A144-R148 PolarHBondContact O-N 2.91Å; A144-R148 VanDerWaalsContact O-N 3.12Å
145	L	67.6	Low	65.3	Low	95 Å²	95	102.3 Å²	102.3	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-70.9	-38.9	176.3	-77.3	165.8	0	0	0	112.2	R141 R142 R148 K149	R141-L145 HydrophobicContact CG-CD1 4.46Å; R141-L145 WeakPolarHBondContact O-CB 3.3Å; R141-L145 WeakPolarHBondContact O-CG 3.5Å; R141-L145 PolarHBondContact O-N 3.31Å; R142-L145 PolarHBondContact O-N 3.41Å; R142-L145 VanDerWaalsContact O-N 3.13Å; L145-R148 CarbonylContact O-C 3.56Å; L145-R148 PolarHBondContact O-N 2.61Å; L145-K149 WeakPolarHBondContact O-CB 3.38Å; L145-K149 PolarHBondContact O-N 2.91Å
146	E	65.3	Low	63.1	Low	131 Å²	131	111.6 Å²	111.6	61%	0.612	55%	0.554	S	S	*	*	H	α-helix	trans	-64.4	-42.1	174.8	-74.5	-177.5	173.5	0	0	111.4	R142 R148 K149 T150	R142-E146 WeakPolarHBondContact O-CG 3.3Å; R142-E146 PolarHBondContact O-N 2.76Å; E146-R148 VanDerWaalsContact C-N 3.26Å; E146-R148 PolarHBondContact O-N 2.83Å; E146-K149 PolarHBondContact O-N 3.13Å; E146-K149 VanDerWaalsContact O-N 3.12Å; E146-T150 PolarHBondContact O-N 3.49Å; E146-T150 PolarHBondContact O-OG1 2.91Å; E146-T150 VanDerWaalsContact O-OG1 3.11Å
147	R	65.4	Low	60.7	Low	181 Å²	181	114.7 Å²	114.7	68%	0.683	57%	0.572	S	S	*	*	H	α-helix	trans	-61.6	-31.3	171.4	-73.8	179.1	-177.6	-165.3	1.1	113.4	V143 T150 S151	V143-R147 WeakPolarHBondContact O-CB 3.46Å; V143-R147 VanDerWaalsContact O-CG 3.31Å; V143-R147 WeakPolarHBondContact O-CG 3.37Å; V143-R147 PolarHBondContact O-N 3.3Å; R147-T150 WeakPolarHBondContact CA-OG1 3.41Å; R147-T150 PolarHBondContact O-OG1 3.34Å; R147-T150 VanDerWaalsContact O-OG1 3.1Å; R147-S151 PolarHBondContact O-N 2.79Å; R147-S151 PolarHBondContact O-OG 3.16Å
148	R	61.8	Low	58.5	Low	183 Å²	183	123.7 Å²	123.7	69%	0.691	61%	0.612	S	S	*	*	H	α-helix	trans	-78.5	-25.2	174.9	-115.4	178.7	-179	-178.1	1.3	113.4	A144 L145 E146 S151 K152	A144-R148 PolarHBondContact O-N 2.91Å; A144-R148 VanDerWaalsContact O-N 3.12Å; L145-R148 CarbonylContact O-C 3.56Å; L145-R148 PolarHBondContact O-N 2.61Å; E146-R148 VanDerWaalsContact C-N 3.26Å; E146-R148 PolarHBondContact O-N 2.83Å; R148-S151 VanDerWaalsContact CA-OG 3.24Å; R148-S151 WeakPolarHBondContact CA-OG 3.46Å; R148-S151 PolarHBondContact O-OG 3.07Å; R148-K152 PolarHBondContact O-N 2.76Å
149	K	58.9	Low	55.9	Low	161 Å²	161	129.4 Å²	129.4	70%	0.7	65%	0.651	S	S	*	*	H	α-helix	trans	-81.5	-35.2	177.9	-146.7	175.6	-177.1	-175.1	0	111	L145 E146 K152	L145-K149 WeakPolarHBondContact O-CB 3.38Å; L145-K149 PolarHBondContact O-N 2.91Å; E146-K149 PolarHBondContact O-N 3.13Å; E146-K149 VanDerWaalsContact O-N 3.12Å; K149-K152 PolarHBondContact O-N 2.85Å
150	T	56.2	Low	53.5	Low	104 Å²	104	135.7 Å²	135.7	64%	0.638	67%	0.674	S	S	*	*	H	α-helix	trans	-72.2	-26.7	172.2	50	0	0	0	0	113.2	E146 R147	E146-T150 PolarHBondContact O-N 3.49Å; E146-T150 PolarHBondContact O-OG1 2.91Å; E146-T150 VanDerWaalsContact O-OG1 3.11Å; R147-T150 WeakPolarHBondContact CA-OG1 3.41Å; R147-T150 PolarHBondContact O-OG1 3.34Å; R147-T150 VanDerWaalsContact O-OG1 3.1Å
151	S	55.1	Low	51.2	Low	80 Å²	80	134 Å²	134	56%	0.559	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-10	174	41.5	0	0	0	0	114.7	R147 R148	R147-S151 PolarHBondContact O-N 2.79Å; R147-S151 PolarHBondContact O-OG 3.16Å; R148-S151 VanDerWaalsContact CA-OG 3.24Å; R148-S151 WeakPolarHBondContact CA-OG 3.46Å; R148-S151 PolarHBondContact O-OG 3.07Å
152	K	51.9	Low	49	Very low	178 Å²	178	132.2 Å²	132.2	77%	0.774	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-2	173.1	-82.1	-173.4	174.9	-169.7	0	114	R148 K149	R148-K152 PolarHBondContact O-N 2.76Å; K149-K152 PolarHBondContact O-N 2.85Å
153	L	43.4	Very low	47.2	Very low	148 Å²	148	135 Å²	135	78%	0.775	73%	0.729	S	S	*	*			trans	-101.9	65.7	165.9	-86	103.9	0	0	0	109.9
154	Q	34.6	Very low	45	Very low	170 Å²	170	135.8 Å²	135.8	79%	0.794	75%	0.751	S	S	*	*	S	Bend	trans	-139.1	128.3	154.5	-102.6	179.5	-12.6	0	0	107.4
155	P	37.3	Very low	43	Very low	115 Å²	115	137 Å²	137	75%	0.747	77%	0.769	S	S	*	*			trans	-71.2	144.3	-179.1	22.9	-18.9	0	0	0	110.2	T157	P155-T157 PolarHBondContact O-N 2.86Å
156	E	39.9	Very low	41.1	Very low	199 Å²	199	138.9 Å²	138.9	93%	0.93	79%	0.785	S	S	*	*			trans	-54.9	115.5	167.4	-63.9	177.9	144.7	0	0	109.2
157	T	30	Very low	39.2	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	80%	0.797	S	S	*	*			trans	-141.4	118.3	154.6	43.8	0	0	0	0	108.9	P155	P155-T157 PolarHBondContact O-N 2.86Å
158	E	33.1	Very low	37.2	Very low	196 Å²	196	141.7 Å²	141.7	92%	0.916	81%	0.805	S	S	*	*			trans	-34.7	141.4	176.5	-64.6	160.9	148.4	0	0	115.2
159	S	26.8	Very low	36.3	Very low	128 Å²	128	137.6 Å²	137.6	90%	0.895	80%	0.803	S	S	*	*			trans	-106.4	103.3	155.8	-81	0	0	0	0	108.4
160	E	30.7	Very low	34.6	Very low	196 Å²	196	134.6 Å²	134.6	92%	0.916	80%	0.802	S	S	*	*			trans	-110.8	138.8	143.8	-86.3	-148.1	132	0	0	109.1
161	A	27.7	Very low	33.1	Very low	111 Å²	111	139.9 Å²	139.9	92%	0.917	81%	0.81	S	S	*	*			trans	-68.1	147.9	-172.7	0	0	0	0	0	113.2
162	G	26.5	Very low	31.5	Very low	72 Å²	72	143 Å²	143	74%	0.742	82%	0.819	S	S	*	*			trans	172.6	113.6	163.6	0	0	0	0	0	112.1
163	P	37.9	Very low	30.6	Very low	139 Å²	139	139.5 Å²	139.5	90%	0.903	82%	0.818	S	S	*	*			trans	-93.8	147.7	-167	35.9	-31.7	0	0	0	112.4
164	G	25.5	Very low	30.8	Very low	83 Å²	83	137.3 Å²	137.3	86%	0.856	81%	0.812	S	S	*	*			trans	163	123.1	159.1	0	0	0	0	0	113.6
165	G	27.3	Very low	30.3	Very low	79 Å²	79	136 Å²	136	81%	0.814	81%	0.81	S	S	*	*			trans	128.3	73.9	156.9	0	0	0	0	0	115.9
166	T	27.2	Very low	29.9	Very low	135 Å²	135	135.8 Å²	135.8	83%	0.828	81%	0.807	S	S	*	*			trans	-54.4	132.2	160.4	-26.1	0	0	0	0	111.5
167	E	25.3	Very low	29.1	Very low	187 Å²	187	132.7 Å²	132.7	87%	0.874	80%	0.797	S	S	*	*				160.2	135.3	115.7	-84.8	-169.7	149.5	0	0	113.1
168	Q	24.4	Very low	28.9	Very low	184 Å²	184	135.2 Å²	135.2	86%	0.86	80%	0.799	S	S	*	*			trans	-60.9	-173.6	170.2	-108.3	176.7	-37.8	0	0	112.8
169	P	42.9	Very low	28.4	Very low	97 Å²	97	129.6 Å²	129.6	63%	0.63	79%	0.794	S	S	*	*			cis	-142.5	-173.1	-23.6	32.9	-11.7	0	0	0	113.4
170	S	24	Very low	28.4	Very low	97 Å²	97	130 Å²	130	68%	0.678	79%	0.791	S	S	*	*			trans	91.8	129.3	137.2	-63.8	0	0	0	0	122
171	R	22.7	Very low	28.4	Very low	216 Å²	216	126.5 Å²	126.5	82%	0.815	78%	0.783	S	S	*	*			trans	86.1	120.5	130.9	-81	-179.2	177	-161.7	0.9	120.9
172	L	22.3	Very low	28.5	Very low	145 Å²	145	127 Å²	127	76%	0.759	78%	0.777	S	S	*	*			trans	70.5	131.6	130.4	-64.1	162.6	0	0	0	119
173	S	32.9	Very low	28.4	Very low	105 Å²	105	127.4 Å²	127.4	73%	0.734	77%	0.773	S	S	*	*			trans	-34.6	175.1	153.3	-32.4	0	0	0	0	114.1
174	P	47.1	Very low	27.8	Very low	101 Å²	101	128.6 Å²	128.6	66%	0.656	77%	0.767	S	S	*	*			cis	-154.7	-163.3	25.9	37.7	-11.1	0	0	0	116.1
175	D	25	Very low	27.8	Very low	143 Å²	143	131.6 Å²	131.6	77%	0.765	76%	0.759	S	S	*	*			trans	68.3	156.5	145.4	-69.2	-14.1	0	0	0	120.7
176	V	27.9	Very low	27.5	Very low	110 Å²	110	132.4 Å²	132.4	67%	0.667	75%	0.752	S	S	*	*			cis	-173.8	155.1	-17.7	141.8	0	0	0	0	104.4
177	D	23.6	Very low	27.3	Very low	135 Å²	135	134.4 Å²	134.4	72%	0.722	75%	0.749	S	S	*	*			trans	72.4	126.3	158.3	-96.8	3.2	0	0	0	121.2
178	Q	25.2	Very low	27.1	Very low	180 Å²	180	131.7 Å²	131.7	84%	0.841	75%	0.746	S	S	*	*				170	141.5	77.5	-123.4	163.7	36.4	0	0	112
179	G	24.1	Very low	27.2	Very low	78 Å²	78	128.3 Å²	128.3	80%	0.804	74%	0.742	S	S	*	*			trans	116	112	145.2	0	0	0	0	0	118.5
180	T	25.4	Very low	26.6	Very low	136 Å²	136	129.9 Å²	129.9	83%	0.834	75%	0.752	S	S	*	*			trans	-116.5	132.5	-177.7	-48.1	0	0	0	0	110.2
181	V	30.7	Very low	26.5	Very low	123 Å²	123	129.8 Å²	129.8	75%	0.745	76%	0.757	S	S	*	*			trans	20.5	154.1	151.1	-138.1	0	0	0	0	122
182	P	31.4	Very low	26.6	Very low	122 Å²	122	127 Å²	127	79%	0.792	76%	0.758	S	S	*	*				-149	146.2	83.5	34.6	-13	0	0	0	118.4
183	A	24.5	Very low	26.7	Very low	80 Å²	80	126.4 Å²	126.4	66%	0.661	76%	0.763	S	S	*	*			trans	25.4	148.3	135	0	0	0	0	0	127.9
184	E	24.4	Very low	26.1	Very low	165 Å²	165	125.1 Å²	125.1	77%	0.771	76%	0.759	S	S	*	*			trans	77.8	150.9	143.2	-64.6	-166.8	135.6	0	0	121.2
185	Q	24.6	Very low	24.9	Very low	146 Å²	146	132.4 Å²	132.4	68%	0.682	77%	0.773	S	S	*	*			cis	-173.2	149.9	-4.8	-111	179.7	19.1	0	0	110.4
186	S	21.9	Very low	24.7	Very low	95 Å²	95	129.6 Å²	129.6	66%	0.664	77%	0.769	S	S	*	*			trans	54.9	161.7	138.8	-106.1	0	0	0	0	128.5
187	F	22.2	Very low	24.4	Very low	178 Å²	178	132.4 Å²	132.4	78%	0.781	78%	0.781	S	S	*	*			trans	94.9	135.9	165.1	-54.9	-64.7	0	0	0	116.6
188	T	22.3	Very low	24.4	Very low	130 Å²	130	134.4 Å²	134.4	80%	0.798	79%	0.786	S	S	*	*			cis	-174	155.2	17.1	7.5	0	0	0	0	110.6
189	S	26.2	Very low	24.8	Very low	112 Å²	112	130.6 Å²	130.6	78%	0.783	78%	0.777	S	S	*	*			trans	-79.1	171.8	162.9	-47	0	0	0	0	112.3
190	P	30.2	Very low	24.6	Very low	130 Å²	130	131.3 Å²	131.3	84%	0.844	77%	0.77	S	S	*	*				-152.7	-180	98.2	35.2	-15.1	0	0	0	112.7
191	A	22.6	Very low	24.7	Very low	95 Å²	95	131.7 Å²	131.7	79%	0.785	77%	0.765	S	S	*	*			cis	-172.1	160.3	-23.6	0	0	0	0	0	106.5
192	L	24.5	Very low	24.3	Very low	159 Å²	159	133.2 Å²	133.2	83%	0.832	77%	0.769	S	S	*	*			trans	-68.3	-179.8	164.9	-74	160.4	0	0	0	111.9
193	P	23.8	Very low	24	Very low	131 Å²	131	134.6 Å²	134.6	85%	0.851	77%	0.77	S	S	*	*				-128.9	147.9	117.3	29	-15.7	0	0	0	114.2
194	A	20.7	Very low	24.6	Very low	79 Å²	79	135.4 Å²	135.4	65%	0.653	77%	0.768	S	S	*	*			trans	-106.3	154.4	171.4	0	0	0	0	0	110.1
195	W	21.2	Very low	24.5	Very low	254 Å²	254	134.4 Å²	134.4	96%	0.962	77%	0.774	S	S	*	*			trans	-152.1	110.7	139.4	-72.1	-26.1	0	0	0	104.2
196	A	21.8	Very low	24.7	Very low	83 Å²	83	136 Å²	136	69%	0.686	78%	0.779	S	S	*	*				57.5	103.2	76.7	0	0	0	0	0	113
197	D	21.6	Very low	24.9	Very low	170 Å²	170	140.3 Å²	140.3	91%	0.909	79%	0.788	S	S	*	*				-168.3	117.5	128.2	-89.5	-26.6	0	0	0	110
198	E	22.6	Very low	25.4	Very low	177 Å²	177	139.4 Å²	139.4	83%	0.827	79%	0.786	S	S	*	*			trans	-105.7	167.6	154.1	-91.5	-92.2	123.4	0	0	105.6
199	P	33.5	Very low	25.5	Very low	100 Å²	100	140.5 Å²	140.5	65%	0.649	79%	0.787	S	S	*	*			cis	-137.7	-179.5	10	32.2	-9.7	0	0	0	113.9
200	S	20.7	Very low	26	Very low	93 Å²	93	141.5 Å²	141.5	65%	0.65	79%	0.789	S	S	*	*				148.3	114.2	124.2	-59.7	0	0	0	0	114.5
201	I	26.9	Very low	25.9	Very low	143 Å²	143	141.6 Å²	141.6	73%	0.733	79%	0.787	S	S	*	*				72.2	125.6	128.8	-61.3	174	0	0	0	119.8
202	D	23.3	Very low	26.3	Very low	155 Å²	155	141.4 Å²	141.4	83%	0.829	79%	0.785	S	S	*	*			trans	104.5	108.5	151.4	-70.3	-25.1	0	0	0	120.7
203	N	24.6	Very low	26.3	Very low	152 Å²	152	141 Å²	141	81%	0.813	78%	0.784	S	S	*	*			trans	-69.1	179.5	150.9	-139.1	10.2	0	0	0	108.8
204	P	36.9	Very low	26.6	Very low	97 Å²	97	140.4 Å²	140.4	63%	0.63	78%	0.778	S	S	*	*			cis	-121.5	151.7	-45.5	33.1	-17.9	0	0	0	110.9
205	T	22.3	Very low	27	Very low	144 Å²	144	143.5 Å²	143.5	88%	0.883	78%	0.783	S	S	*	*			trans	-150.6	111.7	156.9	-6.6	0	0	0	0	112.8	E207	T205-E207 PolarHBondContact O-N 2.94Å
206	F	28.3	Very low	27.6	Very low	180 Å²	180	139.3 Å²	139.3	79%	0.789	78%	0.775	S	S	*	*			trans	-23.2	120.4	147.8	-175.7	-98.5	0	0	0	112.8
207	E	27.8	Very low	28.5	Very low	184 Å²	184	143.6 Å²	143.6	86%	0.86	78%	0.78	S	S	*	*			trans	-160.8	125.2	136.3	-108.8	172.1	-160.5	0	0	112	T205	T205-E207 PolarHBondContact O-N 2.94Å
208	E	32.2	Very low	29.7	Very low	160 Å²	160	139 Å²	139	75%	0.748	76%	0.76	S	S	*	*			trans	-41.1	120.8	175.7	-171.5	171.4	-169.5	0	0	114.1
209	N	25	Very low	31.4	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	75%	0.754	S	S	*	*			trans	-139.4	111	158.5	-100.3	-24.2	0	0	0	110	V211	N209-V211 PolarHBondContact O-N 2.89Å
210	T	36.4	Very low	33.1	Very low	133 Å²	133	135.1 Å²	135.1	82%	0.816	76%	0.755	S	S	*	*			trans	-49.8	110.1	172.5	47.5	0	0	0	0	111.6
211	V	28.3	Very low	35.9	Very low	132 Å²	132	131.3 Å²	131.3	80%	0.8	73%	0.727	S	S	*	*			trans	-111.9	118.4	160.8	-173.3	0	0	0	0	106.8	N209 D213	N209-V211 PolarHBondContact O-N 2.89Å; V211-D213 PolarHBondContact O-N 3.1Å; V211-D213 VanDerWaalsContact O-N 3.1Å
212	A	29.3	Very low	38.2	Very low	90 Å²	90	126.9 Å²	126.9	74%	0.744	71%	0.708	S	S	*	*			trans	-55	112.7	177.6	0	0	0	0	0	110.2	T214	A212-T214 PolarHBondContact O-N 2.65Å
213	D	25.3	Very low	40.8	Very low	152 Å²	152	122.5 Å²	122.5	81%	0.813	68%	0.682	S	S	*	*			trans	-58.6	109	167.2	-104.7	-28.3	0	0	0	108.3	V211 N215	V211-D213 PolarHBondContact O-N 3.1Å; V211-D213 VanDerWaalsContact O-N 3.1Å; D213-N215 PolarHBondContact O-N 2.92Å
214	T	29.2	Very low	43	Very low	118 Å²	118	116.7 Å²	116.7	72%	0.724	66%	0.658	S	S	*	*			trans	-74.5	81.6	164.7	-42.1	0	0	0	0	105.7	A212 Q216	A212-T214 PolarHBondContact O-N 2.65Å; T214-Q216 HydrophobicContact CG2-CG 4.36Å; T214-Q216 PolarHBondContact O-N 2.75Å
215	N	29.2	Very low	45	Very low	143 Å²	143	117.4 Å²	117.4	77%	0.765	65%	0.653	S	S	*	*			trans	-67.4	79.8	175.7	-138.7	-5.8	0	0	0	107.7	D213 Q217	D213-N215 PolarHBondContact O-N 2.92Å; N215-Q217 PolarHBondContact O-N 2.88Å
216	Q	35	Very low	47.8	Very low	167 Å²	167	113.9 Å²	113.9	78%	0.78	63%	0.629	S	S	*	*			trans	-68.3	90.3	168.5	-72.4	-176	5.7	0	0	106.8	T214	T214-Q216 HydrophobicContact CG2-CG 4.36Å; T214-Q216 PolarHBondContact O-N 2.75Å
217	Q	39.3	Very low	50.5	Low	173 Å²	173	106.8 Å²	106.8	81%	0.808	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-50.5	130.3	160	-84	175.3	-28.1	0	0	107.8	N215 A219	N215-Q217 PolarHBondContact O-N 2.88Å; Q217-A219 PolarHBondContact O-N 3.09Å
218	P	46.7	Very low	53.4	Low	73 Å²	73	101.9 Å²	101.9	47%	0.474	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-51.3	129.5	173.7	-23.2	31.2	0	0	0	109.2	T220 D269 R271	P218-T220 PolarHBondContact O-N 3.4Å; P218-T220 VanDerWaalsContact O-N 3.12Å; P218-D269 WeakPolarHBondContact CG-O 3.49Å; P218-R271 HydrophobicContact CB-CG 3.73Å
219	A	58.2	Low	56.2	Low	85 Å²	85	94.5 Å²	94.5	70%	0.702	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-54.1	122.7	179	0	0	0	0	0	109.5	Q217	Q217-A219 PolarHBondContact O-N 3.09Å
220	T	70.7	Confident	59.5	Low	111 Å²	111	92.2 Å²	92.2	68%	0.681	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-63.9	142.1	178.4	31.2	0	0	0	0	110.5	P218	P218-T220 PolarHBondContact O-N 3.4Å; P218-T220 VanDerWaalsContact O-N 3.12Å
221	L	78.9	Confident	62	Low	12 Å²	12	86 Å²	86	6%	0.063	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-61.4	132.5	-179.2	-64.3	173.6	0	0	0	111.5	T227 I229 R271 L272 V309	L221-T227 HydrophobicContact CD2-CG2 3.64Å; L221-I229 HydrophobicContact CD2-CG2 3.6Å; L221-R271 WeakPolarHBondContact CD1-O 3.49Å; L221-R271 HydrophobicContact CG-CB 4.19Å; L221-L272 HydrophobicContact CD1-CD2 3.72Å; L221-V309 HydrophobicContact CD1-CG2 3.64Å
222	P	76.3	Confident	64.9	Low	50 Å²	50	86.2 Å²	86.2	33%	0.325	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-66.5	142.7	177.8	26.8	-33.4	0	0	0	111.7	E225 T227	P222-E225 HydrophobicContact CB-CB 4.2Å; P222-E225 HydrophobicContact CB-CG 4.44Å; P222-E225 HydrophobicContact CG-CB 3.96Å; P222-T227 WeakPolarHBondContact CD-OG1 3.48Å; P222-T227 WeakPolarHBondContact CG-OG1 3.24Å
223	E	77.9	Confident	67.7	Low	63 Å²	63	82.7 Å²	82.7	29%	0.294	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-82.6	129.3	-177.8	-69.7	-174.7	-165.9	0	0	112.7	E225 R311 R313 R314	E223-E225 PolarHBondContact O-N 2.84Å; E223-R311 HydrophobicContact CG-CG 4.16Å; E223-R313 HydrophobicContact CB-CG 4.17Å; E223-R313 PolarHBondContact O-NE 2.99Å; E223-R314 VanDerWaalsContact OE1-CD 3.32Å; E223-R314 WeakPolarHBondContact OE1-CD 3.46Å; E223-R314 WeakPolarHBondContact OE1-CG 3.47Å; E223-R314 IonicContact OE1-CZ 3.89Å; E223-R314 IonicContact OE1-NE 2.92Å; E223-R314 PolarHBondContact OE1-NE 2.77Å; E223-R314 IonicContact OE1-NH2 3.13Å; E223-R314 PolarHBondContact OE1-NH2 3.4Å; E223-R314 WeakPolarHBondContact OE2-CB 3.38Å; E223-R314 VanDerWaalsContact OE2-CG 3.28Å; E223-R314 WeakPolarHBondContact OE2-CG 3.4Å; E223-R314 PolarHBondContact OE2-N 3.49Å; E223-R314 IonicContact OE2-NE 2.76Å
224	G	70.1	Confident	70.6	Confident	30 Å²	30	81 Å²	81	31%	0.309	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	8.9	-178.9	0	0	0	0	0	114.5	R311	G224-R311 WeakPolarHBondContact CA-O 3.48Å; G224-R311 PolarHBondContact N-O 3.19Å
225	E	77.6	Confident	73.3	Confident	112 Å²	112	79 Å²	79	52%	0.523	44%	0.439	S	S	.	.	S	Bend	trans	-111.4	138.8	174.8	-66.1	-173.9	176	0	0	109.8	P222 E223 T227	P222-E225 HydrophobicContact CB-CB 4.2Å; P222-E225 HydrophobicContact CB-CG 4.44Å; P222-E225 HydrophobicContact CG-CB 3.96Å; E223-E225 PolarHBondContact O-N 2.84Å; E225-T227 PolarHBondContact O-N 2.92Å
226	I	81.8	Confident	76	Confident	71 Å²	71	74 Å²	74	36%	0.364	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.6	172.7	-64.4	173.6	0	0	0	107.1	I99 L279 T308 V309 L310	I99-I226 HydrophobicContact CB-CD1 4.4Å; I99-I226 HydrophobicContact CD1-CD1 3.99Å; I226-L279 HydrophobicContact CD1-CD1 3.84Å; I226-L279 HydrophobicContact CG1-CD1 3.87Å; I226-L279 HydrophobicContact CG2-CD1 4.14Å; I226-T308 HydrophobicContact CG2-CG2 3.24Å; I226-V309 WeakPolarHBondContact CA-O 3.42Å; I226-L310 HydrophobicContact CG1-CB 4.44Å; I226-L310 HydrophobicContact CG1-CD1 4.17Å
227	T	84.2	Confident	78.3	Confident	30 Å²	30	74.8 Å²	74.8	18%	0.184	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133	-176.1	-52.4	0	0	0	0	109.6	L221 P222 E225 I229 T308 V309	L221-T227 HydrophobicContact CD2-CG2 3.64Å; P222-T227 WeakPolarHBondContact CD-OG1 3.48Å; P222-T227 WeakPolarHBondContact CG-OG1 3.24Å; E225-T227 PolarHBondContact O-N 2.92Å; T227-I229 HydrophobicContact CG2-CG2 4.24Å; T227-T308 CarbonylContact O-C 3.55Å; T227-T308 WeakPolarHBondContact O-CA 3.1Å; T227-V309 PolarHBondContact N-O 2.89Å; T227-V309 PolarHBondContact O-N 3.44Å
228	T	89.4	Confident	80.5	Confident	81 Å²	81	69.9 Å²	69.9	50%	0.497	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.5	170.4	-56	0	0	0	0	109.2	L307 T308	T228-L307 CarbonylContact C-O 3.48Å; T228-L307 VanDerWaalsContact CA-O 3.32Å; T228-L307 WeakPolarHBondContact CA-O 3.4Å; T228-T308 PolarHBondContact OG1-OG1 2.92Å
229	I	92.3	Very high	82.4	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.026	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.5	175.7	60	173.1	0	0	0	111	L221 T227 I231 L272 H306 L307	L221-I229 HydrophobicContact CD2-CG2 3.6Å; T227-I229 HydrophobicContact CG2-CG2 4.24Å; I229-I231 HydrophobicContact CD1-CD1 3.93Å; I229-I231 HydrophobicContact CD1-CG1 4.28Å; I229-I231 HydrophobicContact CG1-CG1 4.48Å; I229-L272 HydrophobicContact CD1-CD1 3.78Å; I229-L272 HydrophobicContact CD1-CD2 3.82Å; I229-L272 HydrophobicContact CD1-CG 3.58Å; I229-H306 CarbonylContact O-C 3.56Å; I229-H306 WeakPolarHBondContact O-CA 3.47Å; I229-L307 HydrophobicContact CG1-CB 3.94Å; I229-L307 WeakPolarHBondContact CG1-O 3.16Å; I229-L307 PolarHBondContact N-O 3.33Å; I229-L307 PolarHBondContact O-N 3.44Å
230	E	92.3	Very high	83.9	Confident	105 Å²	105	66.1 Å²	66.1	49%	0.491	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.7	175.5	-64.7	178.9	-172.6	0	0	109.3	R271 V304 L305 H306	E230-R271 PolarHBondContact O-NH2 2.74Å; E230-V304 HydrophobicContact CB-CG1 4.36Å; E230-L305 CarbonylContact C-O 3.5Å; E230-L305 WeakPolarHBondContact CA-O 3.32Å; E230-H306 VanDerWaalsContact CG-CD2 3.47Å; E230-H306 WeakPolarHBondContact CG-CD2 3.41Å; E230-H306 IonicContact OE1-CD2 2.74Å; E230-H306 IonicContact OE1-NE2 3.42Å
231	I	90.9	Very high	84.8	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.9	-179.1	-57.1	-177.5	0	0	0	108.1	I229 I265 I266 L272 L305 L307	I229-I231 HydrophobicContact CD1-CD1 3.93Å; I229-I231 HydrophobicContact CD1-CG1 4.28Å; I229-I231 HydrophobicContact CG1-CG1 4.48Å; I231-I265 HydrophobicContact CG2-CG2 3.4Å; I231-I265 VanDerWaalsContact CG2-CG2 3.4Å; I231-I266 HydrophobicContact CD1-CD1 3.25Å; I231-I266 HydrophobicContact CG2-CD1 4.43Å; I231-L272 HydrophobicContact CD1-CD1 4.16Å; I231-L305 HydrophobicContact CB-CB 4.36Å; I231-L305 PolarHBondContact N-O 2.89Å; I231-L305 PolarHBondContact O-N 3.42Å; I231-L307 HydrophobicContact CD1-CD1 3.98Å
232	H	88.5	Confident	85.4	Confident	136 Å²	136	60.7 Å²	60.7	63%	0.63	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.7	-179.1	-68.9	77.7	0	0	0	110.1
233	R	88.8	Confident	86	Confident	15 Å²	15	58.3 Å²	58.3	6%	0.057	31%	0.305	C	S	.	.			trans	-101.8	126.3	176.2	-52.6	-166.4	-168.1	171.1	0.5	109.3	N235 P236 I238 L240 I265 L298 Q300 C302 T303	R233-N235 PolarHBondContact O-N 2.85Å; R233-P236 PolarHBondContact NH1-O 3.3Å; R233-I238 HydrophobicContact CB-CG2 4.33Å; R233-L240 VanDerWaalsContact CZ-CD2 3.48Å; R233-L240 VanDerWaalsContact NH2-CD2 3.33Å; R233-I265 HydrophobicContact CB-CD1 4.28Å; R233-I265 HydrophobicContact CG-CD1 4.17Å; R233-L298 PolarHBondContact NH2-O 3.17Å; R233-Q300 PolarHBondContact NH1-O 3.47Å; R233-C302 WeakPolarHBondContact CD-O 3.41Å; R233-T303 PolarHBondContact N-O 2.91Å
234	S	84.5	Confident	86.7	Confident	116 Å²	116	55.3 Å²	55.3	81%	0.811	29%	0.291	S	S	*	.	S	Bend	trans	-67.3	-28.2	174.8	52	0	0	0	0	112.7
235	N	86.4	Confident	87.8	Confident	77 Å²	77	53.9 Å²	53.9	41%	0.412	28%	0.276	S	S	.	.	S	Bend	trans	-132.3	127.5	173.9	177	-10.6	0	0	0	107.9	R233 Y237 I238	R233-N235 PolarHBondContact O-N 2.85Å; N235-Y237 PolarHBondContact O-N 2.74Å; N235-Y237 VanDerWaalsContact O-N 3.15Å; N235-Y237 WeakPolarHBondContact OD1-CD2 3.37Å; N235-Y237 PolarHBondContact OD1-N 3.21Å; N235-I238 HydrophobicContact CB-CB 4.34Å; N235-I238 WeakPolarHBondContact O-CG2 3.48Å; N235-I238 PolarHBondContact O-N 2.97Å
236	P	86.6	Confident	88.3	Confident	39 Å²	39	48.5 Å²	48.5	25%	0.253	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.7	178.6	-27.7	36	0	0	0	115	R233 P301 C302 T303	R233-P236 PolarHBondContact NH1-O 3.3Å; P236-P301 HydrophobicContact CB-CB 3.8Å; P236-P301 VanDerWaalsContact O-CA 3.26Å; P236-P301 WeakPolarHBondContact O-CA 3.23Å; P236-C302 WeakPolarHBondContact CA-O 3.36Å; P236-C302 PolarHBondContact O-N 3.47Å; P236-T303 HydrophobicContact CG-CG2 3.87Å
237	Y	83.8	Confident	88.3	Confident	182 Å²	182	45.1 Å²	45.1	71%	0.714	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.3	-172.7	-61.3	-83.7	0	0	0	114.7	N235 P301	N235-Y237 PolarHBondContact O-N 2.74Å; N235-Y237 VanDerWaalsContact O-N 3.15Å; N235-Y237 WeakPolarHBondContact OD1-CD2 3.37Å; N235-Y237 PolarHBondContact OD1-N 3.21Å; Y237-P301 HydrophobicContact CD1-CB 4.06Å; Y237-P301 HydrophobicContact CD1-CG 3.69Å; Y237-P301 HydrophobicContact CE1-CB 3.95Å; Y237-P301 HydrophobicContact CE1-CG 3.54Å
238	I	85.2	Confident	88.1	Confident	70 Å²	70	46.4 Å²	46.4	36%	0.359	24%	0.24	S	C	.	.	S	Bend	trans	-70.3	139.5	179	-166.2	166.6	0	0	0	110.3	R233 N235 I265	R233-I238 HydrophobicContact CB-CG2 4.33Å; N235-I238 HydrophobicContact CB-CB 4.34Å; N235-I238 WeakPolarHBondContact O-CG2 3.48Å; N235-I238 PolarHBondContact O-N 2.97Å; I238-I265 HydrophobicContact CB-CD1 4.33Å; I238-I265 HydrophobicContact CD1-CD1 4.17Å; I238-I265 HydrophobicContact CG1-CD1 4.28Å; I238-I265 HydrophobicContact CG2-CD1 3.18Å; I238-I265 HydrophobicContact CG2-CG1 4.41Å
239	E	85.5	Confident	87.6	Confident	79 Å²	79	44.8 Å²	44.8	37%	0.369	23%	0.227	S	C	.	.			trans	-62.8	149.8	174.7	-68.3	177.7	-179.6	0	0	111	G241 S577 I687	E239-G241 VanDerWaalsContact C-N 3.26Å; E239-G241 PolarHBondContact O-N 3.08Å; E239-S577 WeakPolarHBondContact OE1-CB 3.36Å; E239-S577 PolarHBondContact OE1-OG 3.2Å; E239-I687 VanDerWaalsContact CA-OXT 3.27Å; E239-I687 WeakPolarHBondContact CA-OXT 3.44Å; E239-I687 WeakPolarHBondContact CB-OXT 3.38Å
240	L	89.6	Confident	87	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.			trans	-70.1	-30.2	177.8	-68	-174.8	0	0	0	111.6	R233 I242 I265 I266 L298 L305 I687	R233-L240 VanDerWaalsContact CZ-CD2 3.48Å; R233-L240 VanDerWaalsContact NH2-CD2 3.33Å; L240-I242 HydrophobicContact CB-CD1 4.4Å; L240-I242 HydrophobicContact CB-CG1 3.97Å; L240-I242 HydrophobicContact CD1-CD1 4.18Å; L240-I265 PolarHBondContact O-N 3.19Å; L240-I265 VanDerWaalsContact O-N 3.12Å; L240-I266 HydrophobicContact CB-CD1 4.45Å; L240-I266 HydrophobicContact CB-CG1 3.89Å; L240-I266 HydrophobicContact CD2-CD1 4.16Å; L240-I266 HydrophobicContact CD2-CG1 4.45Å; L240-I266 WeakPolarHBondContact O-CG1 3.31Å; L240-I266 PolarHBondContact O-N 3.42Å; L240-I266 VanDerWaalsContact O-N 3.16Å; L240-L298 HydrophobicContact CD1-CB 4.49Å; L240-L298 HydrophobicContact CD1-CD2 4.31Å; L240-L305 HydrophobicContact CD1-CD2 3.97Å; L240-L305 HydrophobicContact CD2-CD2 3.67Å; L240-L305 HydrophobicContact CG-CD2 4.49Å; L240-I687 CarbonylContact C-O 3.53Å; L240-I687 HydrophobicContact CB-CG2 4.37Å; L240-I687 WeakPolarHBondContact CB-O 3.14Å; L240-I687 HydrophobicContact CD1-CG2 3.86Å; L240-I687 HydrophobicContact CG-CG2 4.18Å; L240-I687 PolarHBondContact N-O 3.26Å; L240-I687 VanDerWaalsContact N-O 3.16Å; L240-I687 PolarHBondContact N-OXT 2.95Å
241	G	89.4	Confident	86.2	Confident	9 Å²	9	40.5 Å²	40.5	9%	0.093	21%	0.208	C	C	.	.			trans	72.2	45.1	-173.1	0	0	0	0	0	110.9	E239 Y261 I687	E239-G241 VanDerWaalsContact C-N 3.26Å; E239-G241 PolarHBondContact O-N 3.08Å; G241-Y261 WeakPolarHBondContact O-CD2 3.1Å; G241-Y261 PolarHBondContact O-N 3.33Å; G241-I687 PolarHBondContact N-O 2.86Å
242	I	91.7	Very high	85.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.5	170.1	59.9	176.8	0	0	0	110.4	L240 I244 I257 E259 V260 I266 I278 I687	L240-I242 HydrophobicContact CB-CD1 4.4Å; L240-I242 HydrophobicContact CB-CG1 3.97Å; L240-I242 HydrophobicContact CD1-CD1 4.18Å; I242-I244 HydrophobicContact CD1-CG2 4.07Å; I242-I244 HydrophobicContact CG1-CG2 4.37Å; I242-I257 HydrophobicContact CB-CG2 4.42Å; I242-I257 HydrophobicContact CD1-CD1 4.45Å; I242-I257 HydrophobicContact CD1-CG1 4.44Å; I242-I257 HydrophobicContact CG2-CG2 4.46Å; I242-E259 CarbonylContact C-O 3.54Å; I242-E259 VanDerWaalsContact CA-O 3.26Å; I242-E259 WeakPolarHBondContact CA-O 3.48Å; I242-V260 HydrophobicContact CG2-CB 4.47Å; I242-V260 HydrophobicContact CG2-CG1 4.35Å; I242-V260 HydrophobicContact CG2-CG2 4.1Å; I242-I266 HydrophobicContact CG2-CB 3.54Å; I242-I266 HydrophobicContact CG2-CG1 3.57Å; I242-I266 HydrophobicContact CG2-CG2 3.64Å; I242-I278 HydrophobicContact CD1-CD1 4.34Å; I242-I687 HydrophobicContact CG1-CB 4.05Å; I242-I687 PolarHBondContact N-O 2.92Å; I242-I687 VanDerWaalsContact N-O 3.15Å; I242-I687 PolarHBondContact O-N 2.72Å
243	S	90.4	Very high	85.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140.6	162	67.1	0	0	0	0	110.4	Q258 E259 S685	S243-Q258 PolarHBondContact O-N 3.35Å; S243-Q258 PolarHBondContact OG-OE1 3.42Å; S243-E259 PolarHBondContact N-O 2.8Å; S243-E259 PolarHBondContact O-N 3.09Å; S243-E259 WeakPolarHBondContact OG-CB 3.32Å; S243-E259 PolarHBondContact OG-N 3.37Å; S243-S685 CarbonylContact C-O 3.52Å; S243-S685 VanDerWaalsContact CA-O 3.3Å; S243-S685 WeakPolarHBondContact CA-O 3.26Å
244	I	92.6	Very high	85.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.4	177.6	65.5	171.9	0	0	0	111.4	I242 I255 V256 I278 L298 G684 S685 I687	I242-I244 HydrophobicContact CD1-CG2 4.07Å; I242-I244 HydrophobicContact CG1-CG2 4.37Å; I244-I255 HydrophobicContact CB-CG2 4.36Å; I244-I255 HydrophobicContact CD1-CG2 4.3Å; I244-V256 WeakPolarHBondContact CA-O 3.28Å; I244-I278 HydrophobicContact CG2-CD1 4.37Å; I244-L298 HydrophobicContact CD1-CD1 3.64Å; I244-L298 HydrophobicContact CG2-CD1 4.22Å; I244-G684 WeakPolarHBondContact O-CA 3.37Å; I244-S685 PolarHBondContact N-O 3.35Å; I244-S685 PolarHBondContact O-N 2.59Å; I244-I687 HydrophobicContact CD1-CD1 3.79Å; I244-I687 HydrophobicContact CD1-CG1 3.92Å; I244-I687 HydrophobicContact CG1-CD1 4.07Å; I244-I687 HydrophobicContact CG1-CG1 3.88Å; I244-I687 HydrophobicContact CG2-CG1 4.14Å
245	V	91.4	Very high	85.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	164.6	172.5	-66.7	0	0	0	0	110.2	L252 V256 Q258 W582 C644	V245-L252 HydrophobicContact CB-CD1 3.95Å; V245-L252 HydrophobicContact CG2-CD1 3.63Å; V245-V256 HydrophobicContact CG2-CB 4.16Å; V245-V256 PolarHBondContact N-O 3.13Å; V245-V256 PolarHBondContact O-N 3.17Å; V245-Q258 HydrophobicContact CG1-CB 3.95Å; V245-Q258 HydrophobicContact CG1-CG 4.3Å; V245-Q258 HydrophobicContact CG2-CB 4.13Å; V245-W582 HydrophobicContact CG1-CG 4.32Å; V245-C644 HydrophobicContact CG2-CB 4.36Å
246	G	88.8	Confident	85.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.			trans	93.2	-159.3	174.5	0	0	0	0	0	114.2	T250 N254 H291	G246-T250 VanDerWaalsContact C-CG2 3.45Å; G246-T250 WeakPolarHBondContact CA-OG1 3.32Å; G246-T250 VanDerWaalsContact O-CG2 3.32Å; G246-T250 WeakPolarHBondContact O-CG2 3.4Å; G246-N254 WeakPolarHBondContact CA-O 3.44Å; G246-H291 VanDerWaalsContact O-CB 3.26Å; G246-H291 WeakPolarHBondContact O-CB 3.44Å; G246-H291 VanDerWaalsContact O-CG 3.31Å; G246-H291 PolarHBondContact O-ND1 3.49Å
247	G	83.1	Confident	86.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.			trans	121.1	159.1	-167.5	0	0	0	0	0	111.4	E249 T250 I253 N254	G247-E249 WeakPolarHBondContact CA-OE2 3.42Å; G247-E249 PolarHBondContact O-N 3.25Å; G247-T250 PolarHBondContact N-OG1 2.74Å; G247-T250 WeakPolarHBondContact O-CA 3.47Å; G247-T250 VanDerWaalsContact O-CB 3.29Å; G247-T250 WeakPolarHBondContact O-CB 3.31Å; G247-T250 WeakPolarHBondContact O-CG2 3.16Å; G247-T250 PolarHBondContact O-N 3.33Å; G247-T250 PolarHBondContact O-OG1 3.12Å; G247-I253 CarbonylContact C-O 3.55Å; G247-I253 WeakPolarHBondContact CA-O 3.48Å; G247-I253 CarbonylContact O-C 3.55Å; G247-I253 WeakPolarHBondContact O-CA 3.34Å; G247-I253 PolarHBondContact O-N 3.1Å; G247-N254 PolarHBondContact N-O 2.84Å
248	N	80.1	Confident	86.4	Confident	57 Å²	57	19 Å²	19	31%	0.305	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22	-170.9	70.1	2.5	0	0	0	114.1	T250 I253 N288 V289 S290	N248-T250 PolarHBondContact O-N 3.22Å; N248-I253 PolarHBondContact N-O 3.34Å; N248-N288 VanDerWaalsContact CB-OD1 3.31Å; N248-N288 WeakPolarHBondContact CB-OD1 3.36Å; N248-N288 PolarHBondContact ND2-O 3.36Å; N248-N288 VanDerWaalsContact ND2-O 3.08Å; N248-V289 VanDerWaalsContact CG-C 3.49Å; N248-V289 PolarHBondContact N-O 2.9Å; N248-V289 PolarHBondContact OD1-O 2.7Å; N248-S290 PolarHBondContact OD1-N 2.96Å
249	E	78.1	Confident	86.5	Confident	47 Å²	47	18.5 Å²	18.5	22%	0.22	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.2	173.6	74.6	-83.9	-131.3	0	0	112.5	G247 S290 H291 V583	G247-E249 WeakPolarHBondContact CA-OE2 3.42Å; G247-E249 PolarHBondContact O-N 3.25Å; E249-S290 WeakPolarHBondContact OE1-CA 3.35Å; E249-S290 WeakPolarHBondContact OE1-CB 3.39Å; E249-S290 VanDerWaalsContact OE2-CA 3.23Å; E249-S290 WeakPolarHBondContact OE2-CA 3.32Å; E249-H291 VanDerWaalsContact OE1-CB 3.25Å; E249-H291 WeakPolarHBondContact OE1-CB 3.19Å; E249-H291 PolarHBondContact OE1-N 2.71Å; E249-H291 PolarHBondContact OE2-N 3.25Å; E249-V583 HydrophobicContact CG-CG1 4.49Å; E249-V583 HydrophobicContact CG-CG2 3.9Å
250	T	79.7	Confident	86.7	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.006	9%	0.088	C	C	.	.	S	Bend	trans	-108.5	156.2	-173.9	82.8	0	0	0	0	111.6	G246 G247 N248 L252 I253 W582 V583	G246-T250 VanDerWaalsContact C-CG2 3.45Å; G246-T250 WeakPolarHBondContact CA-OG1 3.32Å; G246-T250 VanDerWaalsContact O-CG2 3.32Å; G246-T250 WeakPolarHBondContact O-CG2 3.4Å; G247-T250 PolarHBondContact N-OG1 2.74Å; G247-T250 WeakPolarHBondContact O-CA 3.47Å; G247-T250 VanDerWaalsContact O-CB 3.29Å; G247-T250 WeakPolarHBondContact O-CB 3.31Å; G247-T250 WeakPolarHBondContact O-CG2 3.16Å; G247-T250 PolarHBondContact O-N 3.33Å; G247-T250 PolarHBondContact O-OG1 3.12Å; N248-T250 PolarHBondContact O-N 3.22Å; T250-L252 PolarHBondContact O-N 3.45Å; T250-L252 VanDerWaalsContact O-N 3.14Å; T250-L252 PolarHBondContact OG1-N 2.92Å; T250-I253 PolarHBondContact O-N 3.06Å; T250-I253 PolarHBondContact OG1-N 3.25Å; T250-W582 HydrophobicContact CG2-CE3 3.75Å; T250-W582 HydrophobicContact CG2-CH2 4.12Å; T250-W582 HydrophobicContact CG2-CZ3 3.16Å; T250-V583 HydrophobicContact CG2-CG2 4.2Å
251	P	75.3	Confident	86.6	Confident	18 Å²	18	19.9 Å²	19.9	12%	0.117	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.2	174.8	-28.4	39.4	0	0	0	114.5	L455 V613 F626	P251-L455 HydrophobicContact CG-CD1 4.19Å; P251-V613 HydrophobicContact CB-CG2 4.33Å; P251-V613 WeakPolarHBondContact O-CG2 3.15Å; P251-F626 HydrophobicContact CB-CD2 3.73Å; P251-F626 HydrophobicContact CB-CE2 4.05Å; P251-F626 HydrophobicContact CG-CD2 3.81Å; P251-F626 HydrophobicContact CG-CE2 3.57Å; P251-F626 HydrophobicContact CG-CZ 4.41Å
252	L	81.4	Confident	86.3	Confident	5 Å²	5	30.7 Å²	30.7	3%	0.026	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-27.6	175.4	-66.8	177	0	0	0	112.3	V245 T250 N254 W582 V613 F626 K628	V245-L252 HydrophobicContact CB-CD1 3.95Å; V245-L252 HydrophobicContact CG2-CD1 3.63Å; T250-L252 PolarHBondContact O-N 3.45Å; T250-L252 VanDerWaalsContact O-N 3.14Å; T250-L252 PolarHBondContact OG1-N 2.92Å; L252-N254 PolarHBondContact O-N 3.11Å; L252-W582 HydrophobicContact CD1-CH2 4.46Å; L252-W582 HydrophobicContact CD1-CZ2 4.37Å; L252-V613 HydrophobicContact CD2-CG2 3.94Å; L252-F626 HydrophobicContact CD2-CB 4.47Å; L252-K628 HydrophobicContact CD2-CB 4.07Å; L252-K628 HydrophobicContact CD2-CG 4.09Å
253	I	80.8	Confident	85.9	Confident	59 Å²	59	37.4 Å²	37.4	30%	0.303	18%	0.175	S	C	.	.			trans	64.4	-45.9	-178	-57.5	170	0	0	0	113.5	G247 N248 T250	G247-I253 CarbonylContact C-O 3.55Å; G247-I253 WeakPolarHBondContact CA-O 3.48Å; G247-I253 CarbonylContact O-C 3.55Å; G247-I253 WeakPolarHBondContact O-CA 3.34Å; G247-I253 PolarHBondContact O-N 3.1Å; N248-I253 PolarHBondContact N-O 3.34Å; T250-I253 PolarHBondContact O-N 3.06Å; T250-I253 PolarHBondContact OG1-N 3.25Å
254	N	86.2	Confident	85.6	Confident	42 Å²	42	37.8 Å²	37.8	23%	0.225	18%	0.18	C	C	.	.	S	Bend	trans	-89.3	151.3	-177.7	-58.4	-11.6	0	0	0	111	G246 G247 L252 V256 Q277	G246-N254 WeakPolarHBondContact CA-O 3.44Å; G247-N254 PolarHBondContact N-O 2.84Å; L252-N254 PolarHBondContact O-N 3.11Å; N254-V256 HydrophobicContact CB-CG2 4.32Å; N254-Q277 PolarHBondContact ND2-OE1 2.84Å
255	I	91.2	Very high	85.5	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	120.1	168.1	-56.5	-62.3	0	0	0	108.9	I244 Q277 I278 I286 A294	I244-I255 HydrophobicContact CB-CG2 4.36Å; I244-I255 HydrophobicContact CD1-CG2 4.3Å; I255-Q277 CarbonylContact O-C 3.47Å; I255-Q277 WeakPolarHBondContact O-CA 3.48Å; I255-I278 HydrophobicContact CG2-CB 4.3Å; I255-I278 HydrophobicContact CG2-CD1 4.43Å; I255-I278 PolarHBondContact O-N 2.89Å; I255-I286 HydrophobicContact CB-CD1 4.35Å; I255-I286 HydrophobicContact CG1-CD1 4.32Å; I255-I286 HydrophobicContact CG2-CD1 4.23Å; I255-A294 HydrophobicContact CD1-CB 3.36Å; I255-A294 HydrophobicContact CG1-CB 3.59Å; I255-A294 HydrophobicContact CG2-CB 4.38Å
256	V	91.8	Very high	85.6	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.5	-175.7	-172.1	0	0	0	0	109.9	I244 V245 N254 Q258 Q277	I244-V256 WeakPolarHBondContact CA-O 3.28Å; V245-V256 HydrophobicContact CG2-CB 4.16Å; V245-V256 PolarHBondContact N-O 3.13Å; V245-V256 PolarHBondContact O-N 3.17Å; N254-V256 HydrophobicContact CB-CG2 4.32Å; V256-Q258 PolarHBondContact O-N 3.15Å; V256-Q277 HydrophobicContact CG2-CG 4.27Å
257	I	92	Very high	85.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	114.7	169.4	-59.3	-177.6	0	0	0	107.9	I242 V260 L272 A274 G275 D276 I278	I242-I257 HydrophobicContact CB-CG2 4.42Å; I242-I257 HydrophobicContact CD1-CD1 4.45Å; I242-I257 HydrophobicContact CD1-CG1 4.44Å; I242-I257 HydrophobicContact CG2-CG2 4.46Å; I257-V260 HydrophobicContact CG2-CG2 3.76Å; I257-L272 HydrophobicContact CD1-CB 4.1Å; I257-L272 HydrophobicContact CD1-CD1 4.03Å; I257-L272 HydrophobicContact CD1-CD2 4.13Å; I257-L272 HydrophobicContact CD1-CG 4.33Å; I257-A274 CarbonylContact O-C 3.44Å; I257-A274 WeakPolarHBondContact O-CA 3.46Å; I257-G275 PolarHBondContact O-N 3.2Å; I257-D276 HydrophobicContact CD1-CB 4.2Å; I257-D276 PolarHBondContact N-O 2.83Å; I257-I278 HydrophobicContact CD1-CD1 4.2Å; I257-I278 HydrophobicContact CD1-CG1 4.26Å; I257-I278 HydrophobicContact CG1-CD1 3.82Å; I257-I278 HydrophobicContact CG1-CG1 3.93Å
258	Q	90.3	Very high	85.8	Confident	7 Å²	7	49.6 Å²	49.6	3%	0.033	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-44.7	175.9	178.3	-172.9	55.1	0	0	111.1	S243 V245 V256 A274 K643 C644 W682 P683	S243-Q258 PolarHBondContact O-N 3.35Å; S243-Q258 PolarHBondContact OG-OE1 3.42Å; V245-Q258 HydrophobicContact CG1-CB 3.95Å; V245-Q258 HydrophobicContact CG1-CG 4.3Å; V245-Q258 HydrophobicContact CG2-CB 4.13Å; V256-Q258 PolarHBondContact O-N 3.15Å; Q258-A274 WeakPolarHBondContact O-CB 3.47Å; Q258-K643 HydrophobicContact CG-CB 4.15Å; Q258-K643 HydrophobicContact CG-CD 4.47Å; Q258-C644 WeakPolarHBondContact CG-O 3.31Å; Q258-C644 PolarHBondContact NE2-O 3.45Å; Q258-W682 PolarHBondContact NE2-O 2.69Å; Q258-P683 PolarHBondContact OE1-O 3.12Å
259	E	87.8	Confident	86.3	Confident	61 Å²	61	48.4 Å²	48.4	29%	0.285	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.2	-178.4	-168.8	163	-170	0	0	111.7	I242 S243 K643	I242-E259 CarbonylContact C-O 3.54Å; I242-E259 VanDerWaalsContact CA-O 3.26Å; I242-E259 WeakPolarHBondContact CA-O 3.48Å; S243-E259 PolarHBondContact N-O 2.8Å; S243-E259 PolarHBondContact O-N 3.09Å; S243-E259 WeakPolarHBondContact OG-CB 3.32Å; S243-E259 PolarHBondContact OG-N 3.37Å; E259-K643 IonicContact OE1-NZ 3.85Å; E259-K643 IonicContact OE2-NZ 3.84Å; E259-K643 PolarHBondContact OE2-NZ 2.81Å
260	V	89.2	Confident	86.7	Confident	35 Å²	35	48.1 Å²	48.1	21%	0.212	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119	174.4	-178.5	0	0	0	0	107.8	I242 I257 I266 A267	I242-V260 HydrophobicContact CG2-CB 4.47Å; I242-V260 HydrophobicContact CG2-CG1 4.35Å; I242-V260 HydrophobicContact CG2-CG2 4.1Å; I257-V260 HydrophobicContact CG2-CG2 3.76Å; V260-I266 HydrophobicContact CG1-CB 4.26Å; V260-I266 HydrophobicContact CG1-CG2 3.96Å; V260-I266 HydrophobicContact CG2-CG2 4.39Å; V260-A267 HydrophobicContact CG1-CB 3.83Å
261	Y	88.3	Confident	87.2	Confident	73 Å²	73	50.5 Å²	50.5	29%	0.286	24%	0.244	S	C	.	.			trans	-86.5	133.4	-173.8	-67.2	-85.7	0	0	0	111.5	G241 D263 G264 A267 L686	G241-Y261 WeakPolarHBondContact O-CD2 3.1Å; G241-Y261 PolarHBondContact O-N 3.33Å; Y261-D263 PolarHBondContact O-N 2.71Å; Y261-G264 PolarHBondContact O-N 2.82Å; Y261-A267 WeakPolarHBondContact O-CB 3.46Å; Y261-L686 HydrophobicContact CD2-CD1 3.7Å; Y261-L686 HydrophobicContact CE2-CD1 3.28Å
262	R	81.3	Confident	87.9	Confident	235 Å²	235	49.8 Å²	49.8	89%	0.887	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.8	-168.1	-71.8	-176.9	179.2	162.9	1.1	116.2
263	D	83.8	Confident	88.2	Confident	141 Å²	141	52.6 Å²	52.6	75%	0.754	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-3	179.7	-59.7	-51.3	0	0	0	113.6	Y261	Y261-D263 PolarHBondContact O-N 2.71Å
264	G	85.6	Confident	88.5	Confident	9 Å²	9	52.1 Å²	52.1	9%	0.093	26%	0.259	C	S	.	.	S	Bend	trans	-71.3	158.3	179.5	0	0	0	0	0	113.4	Y261 I266 A267 R268	Y261-G264 PolarHBondContact O-N 2.82Å; G264-I266 PolarHBondContact O-N 2.64Å; G264-A267 PolarHBondContact O-N 3.2Å; G264-R268 WeakPolarHBondContact O-CG 3.45Å; G264-R268 PolarHBondContact O-N 2.98Å; G264-R268 VanDerWaalsContact O-N 3.08Å
265	I	90.6	Very high	88.4	Confident	20 Å²	20	50.7 Å²	50.7	10%	0.103	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-39.2	174.7	-70.9	176.4	0	0	0	110.9	I231 R233 I238 L240 A267 R268 D269	I231-I265 HydrophobicContact CG2-CG2 3.4Å; I231-I265 VanDerWaalsContact CG2-CG2 3.4Å; R233-I265 HydrophobicContact CB-CD1 4.28Å; R233-I265 HydrophobicContact CG-CD1 4.17Å; I238-I265 HydrophobicContact CB-CD1 4.33Å; I238-I265 HydrophobicContact CD1-CD1 4.17Å; I238-I265 HydrophobicContact CG1-CD1 4.28Å; I238-I265 HydrophobicContact CG2-CD1 3.18Å; I238-I265 HydrophobicContact CG2-CG1 4.41Å; L240-I265 PolarHBondContact O-N 3.19Å; L240-I265 VanDerWaalsContact O-N 3.12Å; I265-A267 VanDerWaalsContact C-N 3.31Å; I265-A267 PolarHBondContact O-N 3.43Å; I265-R268 PolarHBondContact O-N 2.97Å; I265-D269 PolarHBondContact O-N 3.34Å
266	I	92.2	Very high	88.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-37.6	179.2	-57.7	-53.8	0	0	0	111.3	I231 L240 I242 V260 G264 D269 G270 L272 L307	I231-I266 HydrophobicContact CD1-CD1 3.25Å; I231-I266 HydrophobicContact CG2-CD1 4.43Å; L240-I266 HydrophobicContact CB-CD1 4.45Å; L240-I266 HydrophobicContact CB-CG1 3.89Å; L240-I266 HydrophobicContact CD2-CD1 4.16Å; L240-I266 HydrophobicContact CD2-CG1 4.45Å; L240-I266 WeakPolarHBondContact O-CG1 3.31Å; L240-I266 PolarHBondContact O-N 3.42Å; L240-I266 VanDerWaalsContact O-N 3.16Å; I242-I266 HydrophobicContact CG2-CB 3.54Å; I242-I266 HydrophobicContact CG2-CG1 3.57Å; I242-I266 HydrophobicContact CG2-CG2 3.64Å; V260-I266 HydrophobicContact CG1-CB 4.26Å; V260-I266 HydrophobicContact CG1-CG2 3.96Å; V260-I266 HydrophobicContact CG2-CG2 4.39Å; G264-I266 PolarHBondContact O-N 2.64Å; I266-D269 PolarHBondContact O-N 3.25Å; I266-G270 PolarHBondContact O-N 2.8Å; I266-L272 HydrophobicContact CD1-CD1 4.1Å; I266-L272 HydrophobicContact CG2-CB 3.59Å; I266-L272 HydrophobicContact CG2-CD1 3.67Å; I266-L272 HydrophobicContact CG2-CG 4.2Å; I266-L307 HydrophobicContact CD1-CD1 4.38Å
267	A	88.6	Confident	88.3	Confident	30 Å²	30	51.2 Å²	51.2	25%	0.248	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-39.1	174.8	0	0	0	0	0	112.6	V260 Y261 G264 I265 D269 G270	V260-A267 HydrophobicContact CG1-CB 3.83Å; Y261-A267 WeakPolarHBondContact O-CB 3.46Å; G264-A267 PolarHBondContact O-N 3.2Å; I265-A267 VanDerWaalsContact C-N 3.31Å; I265-A267 PolarHBondContact O-N 3.43Å; A267-D269 VanDerWaalsContact C-N 3.34Å; A267-G270 PolarHBondContact O-N 3.18Å
268	R	88.7	Confident	88.4	Confident	198 Å²	198	51.3 Å²	51.3	75%	0.747	26%	0.256	S	S	*	.	H	α-helix	trans	-65.9	-36.5	177.2	-69.5	177.1	175.4	-168.3	-1.5	112.4	G264 I265	G264-R268 WeakPolarHBondContact O-CG 3.45Å; G264-R268 PolarHBondContact O-N 2.98Å; G264-R268 VanDerWaalsContact O-N 3.08Å; I265-R268 PolarHBondContact O-N 2.97Å
269	D	89.9	Confident	88.4	Confident	32 Å²	32	52.4 Å²	52.4	17%	0.171	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-38.6	172.5	-177.6	-90.7	0	0	0	111.8	P218 I265 I266 A267 R271	P218-D269 WeakPolarHBondContact CG-O 3.49Å; I265-D269 PolarHBondContact O-N 3.34Å; I266-D269 PolarHBondContact O-N 3.25Å; A267-D269 VanDerWaalsContact C-N 3.34Å; D269-R271 PolarHBondContact O-N 2.89Å; D269-R271 VanDerWaalsContact O-N 3.09Å; D269-R271 VanDerWaalsContact OD1-CB 3.31Å; D269-R271 WeakPolarHBondContact OD1-CB 3.31Å; D269-R271 WeakPolarHBondContact OD1-CG 3.5Å; D269-R271 IonicContact OD1-CZ 3.36Å; D269-R271 PolarHBondContact OD1-N 2.99Å; D269-R271 IonicContact OD1-NE 2.71Å; D269-R271 PolarHBondContact OD1-NE 3.23Å; D269-R271 IonicContact OD1-NH2 2.77Å; D269-R271 PolarHBondContact OD1-NH2 3.06Å; D269-R271 IonicContact OD2-CZ 2.63Å; D269-R271 IonicContact OD2-NE 3.93Å; D269-R271 PolarHBondContact OD2-NE 3.26Å; D269-R271 IonicContact OD2-NH2 3.53Å; D269-R271 PolarHBondContact OD2-NH2 2.96Å
270	G	86.4	Confident	88.5	Confident	40 Å²	40	53 Å²	53	41%	0.412	27%	0.265	S	S	.	.			trans	73.5	-4	168.3	0	0	0	0	0	116	I266 A267	I266-G270 PolarHBondContact O-N 2.8Å; A267-G270 PolarHBondContact O-N 3.18Å
271	R	89.3	Confident	88.7	Confident	52 Å²	52	51.3 Å²	51.3	20%	0.196	26%	0.255	C	S	.	.			trans	-77.9	-38.9	179.4	-65.7	-179.8	-70.5	-178	-6	112.7	P218 L221 E230 D269 R311	P218-R271 HydrophobicContact CB-CG 3.73Å; L221-R271 WeakPolarHBondContact CD1-O 3.49Å; L221-R271 HydrophobicContact CG-CB 4.19Å; E230-R271 PolarHBondContact O-NH2 2.74Å; D269-R271 PolarHBondContact O-N 2.89Å; D269-R271 VanDerWaalsContact O-N 3.09Å; D269-R271 VanDerWaalsContact OD1-CB 3.31Å; D269-R271 WeakPolarHBondContact OD1-CB 3.31Å; D269-R271 WeakPolarHBondContact OD1-CG 3.5Å; D269-R271 IonicContact OD1-CZ 3.36Å; D269-R271 PolarHBondContact OD1-N 2.99Å; D269-R271 IonicContact OD1-NE 2.71Å; D269-R271 PolarHBondContact OD1-NE 3.23Å; D269-R271 IonicContact OD1-NH2 2.77Å; D269-R271 PolarHBondContact OD1-NH2 3.06Å; D269-R271 IonicContact OD2-CZ 2.63Å; D269-R271 IonicContact OD2-NE 3.93Å; D269-R271 PolarHBondContact OD2-NE 3.26Å; D269-R271 IonicContact OD2-NH2 3.53Å; D269-R271 PolarHBondContact OD2-NH2 2.96Å; R271-R311 PolarHBondContact O-NH2 3.34Å
272	L	90.8	Very high	88.9	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	25%	0.25	C	S	.	.			trans	-82.7	143.3	179.8	-68.5	172.6	0	0	0	111.9	L221 I229 I231 I257 I266 D276 L307 V309	L221-L272 HydrophobicContact CD1-CD2 3.72Å; I229-L272 HydrophobicContact CD1-CD1 3.78Å; I229-L272 HydrophobicContact CD1-CD2 3.82Å; I229-L272 HydrophobicContact CD1-CG 3.58Å; I231-L272 HydrophobicContact CD1-CD1 4.16Å; I257-L272 HydrophobicContact CD1-CB 4.1Å; I257-L272 HydrophobicContact CD1-CD1 4.03Å; I257-L272 HydrophobicContact CD1-CD2 4.13Å; I257-L272 HydrophobicContact CD1-CG 4.33Å; I266-L272 HydrophobicContact CD1-CD1 4.1Å; I266-L272 HydrophobicContact CG2-CB 3.59Å; I266-L272 HydrophobicContact CG2-CD1 3.67Å; I266-L272 HydrophobicContact CG2-CG 4.2Å; L272-D276 WeakPolarHBondContact CA-OD2 3.4Å; L272-D276 HydrophobicContact CD2-CB 4.42Å; L272-L307 HydrophobicContact CD1-CD1 3.65Å; L272-V309 HydrophobicContact CD2-CB 4.13Å; L272-V309 HydrophobicContact CD2-CG1 3.71Å; L272-V309 HydrophobicContact CD2-CG2 3.82Å
273	L	88.4	Confident	89	Confident	64 Å²	64	43 Å²	43	34%	0.335	24%	0.241	S	C	.	.			trans	-133.4	161.7	-179.8	-62.1	176.2	0	0	0	110.6	G275 D276 R311 L632	L273-G275 PolarHBondContact O-N 2.89Å; L273-D276 PolarHBondContact N-OD2 2.89Å; L273-D276 WeakPolarHBondContact O-CB 3.24Å; L273-D276 VanDerWaalsContact O-CG 3.31Å; L273-D276 PolarHBondContact O-N 3.36Å; L273-R311 VanDerWaalsContact CG-NH2 3.3Å; L273-L632 HydrophobicContact CD1-CD1 4.08Å
274	A	87.4	Confident	89.2	Confident	50 Å²	50	40.4 Å²	40.4	41%	0.413	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	134.7	166	0	0	0	0	0	110.6	I257 Q258	I257-A274 CarbonylContact O-C 3.44Å; I257-A274 WeakPolarHBondContact O-CA 3.46Å; Q258-A274 WeakPolarHBondContact O-CB 3.47Å
275	G	83.9	Confident	89.2	Confident	11 Å²	11	44.2 Å²	44.2	11%	0.113	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	-11.9	-175.4	0	0	0	0	0	114.9	I257 L273	I257-G275 PolarHBondContact O-N 3.2Å; L273-G275 PolarHBondContact O-N 2.89Å
276	D	89.4	Confident	89.1	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.016	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-68.1	135.2	175.4	-69.1	-19.4	0	0	0	110.9	I257 L272 L273 R311	I257-D276 HydrophobicContact CD1-CB 4.2Å; I257-D276 PolarHBondContact N-O 2.83Å; L272-D276 WeakPolarHBondContact CA-OD2 3.4Å; L272-D276 HydrophobicContact CD2-CB 4.42Å; L273-D276 PolarHBondContact N-OD2 2.89Å; L273-D276 WeakPolarHBondContact O-CB 3.24Å; L273-D276 VanDerWaalsContact O-CG 3.31Å; L273-D276 PolarHBondContact O-N 3.36Å; D276-R311 WeakPolarHBondContact OD1-CB 3.44Å; D276-R311 WeakPolarHBondContact OD1-CG 3.41Å; D276-R311 IonicContact OD1-CZ 3.4Å; D276-R311 IonicContact OD1-NE 3.54Å; D276-R311 PolarHBondContact OD1-NE 2.98Å; D276-R311 IonicContact OD1-NH2 3.52Å; D276-R311 PolarHBondContact OD1-NH2 3.35Å; D276-R311 IonicContact OD2-CZ 3.32Å; D276-R311 IonicContact OD2-NE 3.33Å; D276-R311 IonicContact OD2-NH2 3.64Å; D276-R311 PolarHBondContact OD2-NH2 3.4Å
277	Q	90.8	Very high	88.7	Confident	13 Å²	13	44.4 Å²	44.4	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.1	178.5	-56.1	-177.5	10.2	0	0	109.6	N254 I255 V256 V309 L310	N254-Q277 PolarHBondContact ND2-OE1 2.84Å; I255-Q277 CarbonylContact O-C 3.47Å; I255-Q277 WeakPolarHBondContact O-CA 3.48Å; V256-Q277 HydrophobicContact CG2-CG 4.27Å; Q277-V309 CarbonylContact O-C 3.56Å; Q277-V309 WeakPolarHBondContact O-CA 3.31Å; Q277-L310 HydrophobicContact CB-CB 4.4Å; Q277-L310 PolarHBondContact N-O 3.35Å; Q277-L310 PolarHBondContact O-N 3.19Å
278	I	93.8	Very high	88.4	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.6	176.7	-46.6	178	0	0	0	108.3	I242 I244 I255 I257 V281 I286 L298 L307 V309	I242-I278 HydrophobicContact CD1-CD1 4.34Å; I244-I278 HydrophobicContact CG2-CD1 4.37Å; I255-I278 HydrophobicContact CG2-CB 4.3Å; I255-I278 HydrophobicContact CG2-CD1 4.43Å; I255-I278 PolarHBondContact O-N 2.89Å; I257-I278 HydrophobicContact CD1-CD1 4.2Å; I257-I278 HydrophobicContact CD1-CG1 4.26Å; I257-I278 HydrophobicContact CG1-CD1 3.82Å; I257-I278 HydrophobicContact CG1-CG1 3.93Å; I278-V281 HydrophobicContact CG2-CG2 3.9Å; I278-I286 HydrophobicContact CB-CD1 4.1Å; I278-I286 HydrophobicContact CG2-CD1 3.73Å; I278-I286 HydrophobicContact CG2-CG1 4.26Å; I278-L298 HydrophobicContact CD1-CD1 4.16Å; I278-L298 HydrophobicContact CD1-CD2 4.09Å; I278-L307 HydrophobicContact CG2-CD2 4.37Å; I278-V309 HydrophobicContact CG1-CG1 4.41Å; I278-V309 HydrophobicContact CG2-CG1 4.48Å
279	L	90	Very high	88.1	Confident	31 Å²	31	39.8 Å²	39.8	16%	0.162	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-37.4	-177.3	-57.3	-179.9	0	0	0	111.8	I226 D285 I286 S287 T308 L310	I226-L279 HydrophobicContact CD1-CD1 3.84Å; I226-L279 HydrophobicContact CG1-CD1 3.87Å; I226-L279 HydrophobicContact CG2-CD1 4.14Å; L279-D285 VanDerWaalsContact O-OD1 3.07Å; L279-I286 PolarHBondContact O-N 2.85Å; L279-S287 PolarHBondContact O-N 3.17Å; L279-S287 VanDerWaalsContact O-N 3.17Å; L279-T308 PolarHBondContact N-O 3.15Å; L279-L310 HydrophobicContact CD1-CB 3.95Å; L279-L310 HydrophobicContact CG-CB 4.41Å
280	Q	91	Very high	87.9	Confident	72 Å²	72	40.2 Å²	40.2	34%	0.336	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.9	-178.3	-160.3	-177.2	-43.9	0	0	110.3	N282 F284 T308	Q280-N282 PolarHBondContact NE2-O 2.94Å; Q280-F284 CarbonylContact C-O 3.59Å; Q280-F284 VanDerWaalsContact CA-O 3.32Å; Q280-F284 WeakPolarHBondContact CA-O 3.39Å; Q280-F284 WeakPolarHBondContact CG-O 3.49Å; Q280-T308 PolarHBondContact N-O 3.2Å; Q280-T308 PolarHBondContact O-N 3.11Å
281	V	93.5	Very high	87.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.3	174.4	-178.4	0	0	0	0	107.6	I278 S283 F284 I286 V297 L298 L305 H306 L307	I278-V281 HydrophobicContact CG2-CG2 3.9Å; V281-S283 PolarHBondContact O-N 2.99Å; V281-F284 PolarHBondContact N-O 3.25Å; V281-F284 WeakPolarHBondContact O-CB 3.36Å; V281-F284 PolarHBondContact O-N 2.96Å; V281-I286 HydrophobicContact CG2-CD1 3.47Å; V281-I286 VanDerWaalsContact CG2-CD1 3.47Å; V281-I286 HydrophobicContact CG2-CG1 3.96Å; V281-I286 HydrophobicContact CG2-CG2 4.47Å; V281-V297 HydrophobicContact CB-CG1 3.71Å; V281-V297 HydrophobicContact CG1-CG1 3.89Å; V281-V297 HydrophobicContact CG2-CG1 4.39Å; V281-L298 HydrophobicContact CB-CD2 4.4Å; V281-L298 HydrophobicContact CG1-CD2 4.14Å; V281-L298 HydrophobicContact CG2-CD2 3.35Å; V281-L298 HydrophobicContact CG2-CG 3.86Å; V281-L305 HydrophobicContact CG1-CD1 3.7Å; V281-H306 CarbonylContact C-O 3.53Å; V281-H306 WeakPolarHBondContact CA-O 3.47Å; V281-L307 HydrophobicContact CB-CD2 4.29Å; V281-L307 HydrophobicContact CG1-CD2 4.04Å; V281-L307 HydrophobicContact CG2-CD2 3.82Å
282	N	91.4	Very high	87.8	Confident	36 Å²	36	37.1 Å²	37.1	19%	0.193	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-120.6	-170.2	-59	-35.5	0	0	0	110.1	Q280 H306	Q280-N282 PolarHBondContact NE2-O 2.94Å; N282-H306 PolarHBondContact N-O 3.35Å; N282-H306 PolarHBondContact OD1-N 3.12Å
283	S	84.4	Confident	87.6	Confident	99 Å²	99	41.1 Å²	41.1	69%	0.692	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	0.7	176.6	51.1	0	0	0	0	114.3	V281	V281-S283 PolarHBondContact O-N 2.99Å
284	F	86.9	Confident	87.7	Confident	85 Å²	85	38.1 Å²	38.1	37%	0.373	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.3	-174.5	-61.1	-78.4	0	0	0	111.4	Q280 V281 I286 V297	Q280-F284 CarbonylContact C-O 3.59Å; Q280-F284 VanDerWaalsContact CA-O 3.32Å; Q280-F284 WeakPolarHBondContact CA-O 3.39Å; Q280-F284 WeakPolarHBondContact CG-O 3.49Å; V281-F284 PolarHBondContact N-O 3.25Å; V281-F284 WeakPolarHBondContact O-CB 3.36Å; V281-F284 PolarHBondContact O-N 2.96Å; F284-I286 PolarHBondContact O-N 3.26Å; F284-V297 HydrophobicContact CB-CG1 3.93Å; F284-V297 HydrophobicContact CD2-CG1 4.09Å; F284-V297 HydrophobicContact CG-CG1 4.26Å
285	D	85.2	Confident	87.8	Confident	89 Å²	89	39.3 Å²	39.3	48%	0.476	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	118	169.8	-174.7	-8.8	0	0	0	109.1	L279 S287 V289	L279-D285 VanDerWaalsContact O-OD1 3.07Å; D285-S287 WeakPolarHBondContact OD1-CB 3.41Å; D285-S287 PolarHBondContact OD1-N 2.89Å; D285-S287 PolarHBondContact OD1-OG 3.29Å; D285-S287 PolarHBondContact OD2-OG 3.15Å; D285-V289 WeakPolarHBondContact O-CG1 3.21Å
286	I	89.9	Confident	88	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.			trans	-113.6	15.1	178.3	67.3	158.6	0	0	0	112.3	I255 I278 L279 V281 F284 N288 V289 A294 V297 L298	I255-I286 HydrophobicContact CB-CD1 4.35Å; I255-I286 HydrophobicContact CG1-CD1 4.32Å; I255-I286 HydrophobicContact CG2-CD1 4.23Å; I278-I286 HydrophobicContact CB-CD1 4.1Å; I278-I286 HydrophobicContact CG2-CD1 3.73Å; I278-I286 HydrophobicContact CG2-CG1 4.26Å; L279-I286 PolarHBondContact O-N 2.85Å; V281-I286 HydrophobicContact CG2-CD1 3.47Å; V281-I286 VanDerWaalsContact CG2-CD1 3.47Å; V281-I286 HydrophobicContact CG2-CG1 3.96Å; V281-I286 HydrophobicContact CG2-CG2 4.47Å; F284-I286 PolarHBondContact O-N 3.26Å; I286-N288 VanDerWaalsContact C-N 3.27Å; I286-N288 PolarHBondContact O-N 3.26Å; I286-V289 HydrophobicContact CB-CG2 3.7Å; I286-V289 HydrophobicContact CG2-CG2 4.16Å; I286-V289 WeakPolarHBondContact O-CG2 3.48Å; I286-A294 HydrophobicContact CD1-CB 4.21Å; I286-V297 HydrophobicContact CG2-CB 4.24Å; I286-V297 HydrophobicContact CG2-CG1 4.06Å; I286-V297 HydrophobicContact CG2-CG2 4.43Å; I286-L298 HydrophobicContact CD1-CD1 4.29Å; I286-L298 HydrophobicContact CD1-CG 4.39Å
287	S	82.6	Confident	88.1	Confident	24 Å²	24	40.1 Å²	40.1	17%	0.168	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.1	-178.1	64.4	0	0	0	0	114.1	L279 D285	L279-S287 PolarHBondContact O-N 3.17Å; L279-S287 VanDerWaalsContact O-N 3.17Å; D285-S287 WeakPolarHBondContact OD1-CB 3.41Å; D285-S287 PolarHBondContact OD1-N 2.89Å; D285-S287 PolarHBondContact OD1-OG 3.29Å; D285-S287 PolarHBondContact OD2-OG 3.15Å
288	N	81.9	Confident	88.1	Confident	108 Å²	108	39.5 Å²	39.5	58%	0.578	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-143.3	48.2	-179.6	-172.2	44.7	0	0	0	112.1	N248 I286	N248-N288 VanDerWaalsContact CB-OD1 3.31Å; N248-N288 WeakPolarHBondContact CB-OD1 3.36Å; N248-N288 PolarHBondContact ND2-O 3.36Å; N248-N288 VanDerWaalsContact ND2-O 3.08Å; I286-N288 VanDerWaalsContact C-N 3.27Å; I286-N288 PolarHBondContact O-N 3.26Å
289	V	83.3	Confident	87.9	Confident	24 Å²	24	42 Å²	42	15%	0.145	23%	0.231	C	C	.	.	S	Bend	trans	-113.5	167.9	178.2	-58.9	0	0	0	0	110.4	N248 D285 I286 H293 A294	N248-V289 VanDerWaalsContact CG-C 3.49Å; N248-V289 PolarHBondContact N-O 2.9Å; N248-V289 PolarHBondContact OD1-O 2.7Å; D285-V289 WeakPolarHBondContact O-CG1 3.21Å; I286-V289 HydrophobicContact CB-CG2 3.7Å; I286-V289 HydrophobicContact CG2-CG2 4.16Å; I286-V289 WeakPolarHBondContact O-CG2 3.48Å; V289-H293 HydrophobicContact CB-CB 4.21Å; V289-H293 HydrophobicContact CG2-CB 4.39Å; V289-A294 HydrophobicContact CG2-CB 3.9Å
290	S	84.8	Confident	87.7	Confident	41 Å²	41	42.6 Å²	42.6	29%	0.287	23%	0.233	S	C	.	.			trans	-65.5	151	171.6	67.8	0	0	0	0	110.9	N248 E249 N292 H293 A294	N248-S290 PolarHBondContact OD1-N 2.96Å; E249-S290 WeakPolarHBondContact OE1-CA 3.35Å; E249-S290 WeakPolarHBondContact OE1-CB 3.39Å; E249-S290 VanDerWaalsContact OE2-CA 3.23Å; E249-S290 WeakPolarHBondContact OE2-CA 3.32Å; S290-N292 PolarHBondContact O-N 2.6Å; S290-H293 WeakPolarHBondContact O-CB 3.41Å; S290-H293 PolarHBondContact O-N 3.48Å; S290-H293 VanDerWaalsContact O-N 3.08Å; S290-H293 VanDerWaalsContact OG-CB 3.28Å; S290-H293 WeakPolarHBondContact OG-CB 3.47Å; S290-H293 PolarHBondContact OG-N 3.49Å; S290-A294 PolarHBondContact O-N 2.93Å
291	H	86.5	Confident	87.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-51.6	-45.4	173.8	-172.8	83.5	0	0	0	111.8	G246 E249 H293 A294 R295 V583 S685	G246-H291 VanDerWaalsContact O-CB 3.26Å; G246-H291 WeakPolarHBondContact O-CB 3.44Å; G246-H291 VanDerWaalsContact O-CG 3.31Å; G246-H291 PolarHBondContact O-ND1 3.49Å; E249-H291 VanDerWaalsContact OE1-CB 3.25Å; E249-H291 WeakPolarHBondContact OE1-CB 3.19Å; E249-H291 PolarHBondContact OE1-N 2.71Å; E249-H291 PolarHBondContact OE2-N 3.25Å; H291-H293 VanDerWaalsContact C-N 3.34Å; H291-H293 PolarHBondContact O-N 2.67Å; H291-A294 PolarHBondContact O-N 3.08Å; H291-R295 WeakPolarHBondContact O-CB 3.36Å; H291-R295 PolarHBondContact O-N 2.86Å; H291-V583 HydrophobicContact CB-CG2 3.69Å; H291-S685 WeakPolarHBondContact NE2-CB 3.22Å; H291-S685 PolarHBondContact NE2-OG 2.81Å
292	N	87.8	Confident	87.3	Confident	26 Å²	26	43.5 Å²	43.5	14%	0.139	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-39.1	178.5	-79.8	-14	0	0	0	112.1	S290 R295 A296 E556 S581	S290-N292 PolarHBondContact O-N 2.6Å; N292-R295 PolarHBondContact O-N 2.81Å; N292-A296 WeakPolarHBondContact O-CB 3.34Å; N292-A296 PolarHBondContact O-N 3.13Å; N292-E556 PolarHBondContact ND2-OE1 3.37Å; N292-S581 VanDerWaalsContact OD1-CB 3.31Å; N292-S581 WeakPolarHBondContact OD1-CB 3.44Å
293	H	87.4	Confident	87.2	Confident	87 Å²	87	46.2 Å²	46.2	40%	0.403	26%	0.264	S	S	.	.	H	α-helix	trans	-65.4	-45.4	175.4	-175.2	86.3	0	0	0	111.3	V289 S290 H291 R295 A296 V297	V289-H293 HydrophobicContact CB-CB 4.21Å; V289-H293 HydrophobicContact CG2-CB 4.39Å; S290-H293 WeakPolarHBondContact O-CB 3.41Å; S290-H293 PolarHBondContact O-N 3.48Å; S290-H293 VanDerWaalsContact O-N 3.08Å; S290-H293 VanDerWaalsContact OG-CB 3.28Å; S290-H293 WeakPolarHBondContact OG-CB 3.47Å; S290-H293 PolarHBondContact OG-N 3.49Å; H291-H293 VanDerWaalsContact C-N 3.34Å; H291-H293 PolarHBondContact O-N 2.67Å; H293-R295 VanDerWaalsContact C-N 3.33Å; H293-R295 PolarHBondContact O-N 3.43Å; H293-A296 PolarHBondContact O-N 2.96Å; H293-V297 WeakPolarHBondContact O-CG2 3.46Å; H293-V297 PolarHBondContact O-N 2.6Å
294	A	90.1	Very high	87.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-44.2	175.4	0	0	0	0	0	112.1	I255 I286 V289 S290 H291 A296 V297 L298	I255-A294 HydrophobicContact CD1-CB 3.36Å; I255-A294 HydrophobicContact CG1-CB 3.59Å; I255-A294 HydrophobicContact CG2-CB 4.38Å; I286-A294 HydrophobicContact CD1-CB 4.21Å; V289-A294 HydrophobicContact CG2-CB 3.9Å; S290-A294 PolarHBondContact O-N 2.93Å; H291-A294 PolarHBondContact O-N 3.08Å; A294-A296 PolarHBondContact O-N 3.38Å; A294-V297 PolarHBondContact O-N 3.36Å; A294-L298 WeakPolarHBondContact O-CB 3.38Å; A294-L298 WeakPolarHBondContact O-CD1 3.26Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 2.92Å
295	R	89.9	Confident	87.9	Confident	76 Å²	76	39.5 Å²	39.5	29%	0.287	23%	0.225	S	C	.	.	H	α-helix	trans	-57.8	-47.7	174.5	-177.5	176	83.7	78.7	4.5	111.4	H291 N292 H293 L298 S299 I687	H291-R295 WeakPolarHBondContact O-CB 3.36Å; H291-R295 PolarHBondContact O-N 2.86Å; N292-R295 PolarHBondContact O-N 2.81Å; H293-R295 VanDerWaalsContact C-N 3.33Å; H293-R295 PolarHBondContact O-N 3.43Å; R295-L298 PolarHBondContact O-N 3.31Å; R295-S299 VanDerWaalsContact O-CB 3.29Å; R295-S299 WeakPolarHBondContact O-CB 3.25Å; R295-S299 PolarHBondContact O-N 2.89Å; R295-S299 PolarHBondContact O-OG 3.44Å; R295-I687 HydrophobicContact CB-CD1 4.11Å; R295-I687 HydrophobicContact CG-CD1 3.52Å
296	A	88.2	Confident	88.2	Confident	28 Å²	28	38.4 Å²	38.4	23%	0.231	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-47.2	179	0	0	0	0	0	111.4	N292 H293 A294 S299 Q300 I569	N292-A296 WeakPolarHBondContact O-CB 3.34Å; N292-A296 PolarHBondContact O-N 3.13Å; H293-A296 PolarHBondContact O-N 2.96Å; A294-A296 PolarHBondContact O-N 3.38Å; A296-S299 PolarHBondContact O-N 2.85Å; A296-Q300 WeakPolarHBondContact O-CG 3.34Å; A296-Q300 PolarHBondContact O-N 3.05Å; A296-I569 HydrophobicContact CB-CD1 4.43Å
297	V	90.9	Very high	88.5	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-44.7	179.7	174.3	0	0	0	0	111.9	V281 F284 I286 H293 A294 S299 Q300	V281-V297 HydrophobicContact CB-CG1 3.71Å; V281-V297 HydrophobicContact CG1-CG1 3.89Å; V281-V297 HydrophobicContact CG2-CG1 4.39Å; F284-V297 HydrophobicContact CB-CG1 3.93Å; F284-V297 HydrophobicContact CD2-CG1 4.09Å; F284-V297 HydrophobicContact CG-CG1 4.26Å; I286-V297 HydrophobicContact CG2-CB 4.24Å; I286-V297 HydrophobicContact CG2-CG1 4.06Å; I286-V297 HydrophobicContact CG2-CG2 4.43Å; H293-V297 WeakPolarHBondContact O-CG2 3.46Å; H293-V297 PolarHBondContact O-N 2.6Å; A294-V297 PolarHBondContact O-N 3.36Å; V297-S299 VanDerWaalsContact C-N 3.3Å; V297-S299 PolarHBondContact O-N 3.05Å; V297-Q300 WeakPolarHBondContact O-CB 3.32Å; V297-Q300 PolarHBondContact O-N 3.28Å
298	L	90.8	Very high	88.9	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.2	-31.8	179.3	-73	159.9	0	0	0	113	R233 L240 I244 I278 V281 I286 A294 R295 Q300 L307 I687	R233-L298 PolarHBondContact NH2-O 3.17Å; L240-L298 HydrophobicContact CD1-CB 4.49Å; L240-L298 HydrophobicContact CD1-CD2 4.31Å; I244-L298 HydrophobicContact CD1-CD1 3.64Å; I244-L298 HydrophobicContact CG2-CD1 4.22Å; I278-L298 HydrophobicContact CD1-CD1 4.16Å; I278-L298 HydrophobicContact CD1-CD2 4.09Å; V281-L298 HydrophobicContact CB-CD2 4.4Å; V281-L298 HydrophobicContact CG1-CD2 4.14Å; V281-L298 HydrophobicContact CG2-CD2 3.35Å; V281-L298 HydrophobicContact CG2-CG 3.86Å; I286-L298 HydrophobicContact CD1-CD1 4.29Å; I286-L298 HydrophobicContact CD1-CG 4.39Å; A294-L298 WeakPolarHBondContact O-CB 3.38Å; A294-L298 WeakPolarHBondContact O-CD1 3.26Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 2.92Å; R295-L298 PolarHBondContact O-N 3.31Å; L298-Q300 VanDerWaalsContact C-N 3.27Å; L298-Q300 PolarHBondContact O-N 3.32Å; L298-L307 HydrophobicContact CD2-CD2 3.97Å; L298-I687 HydrophobicContact CB-CG2 3.71Å
299	S	89	Confident	89.4	Confident	53 Å²	53	32.9 Å²	32.9	37%	0.371	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.1	177.4	-50.5	0	0	0	0	113.2	R295 A296 V297	R295-S299 VanDerWaalsContact O-CB 3.29Å; R295-S299 WeakPolarHBondContact O-CB 3.25Å; R295-S299 PolarHBondContact O-N 2.89Å; R295-S299 PolarHBondContact O-OG 3.44Å; A296-S299 PolarHBondContact O-N 2.85Å; V297-S299 VanDerWaalsContact C-N 3.3Å; V297-S299 PolarHBondContact O-N 3.05Å
300	Q	86.8	Confident	89.5	Confident	43 Å²	43	33.6 Å²	33.6	20%	0.201	19%	0.189	C	C	.	.	S	Bend	trans	-61.9	133.3	179	-73.2	-176.7	2.9	0	0	110.8	R233 A296 V297 L298 C302	R233-Q300 PolarHBondContact NH1-O 3.47Å; A296-Q300 WeakPolarHBondContact O-CG 3.34Å; A296-Q300 PolarHBondContact O-N 3.05Å; V297-Q300 WeakPolarHBondContact O-CB 3.32Å; V297-Q300 PolarHBondContact O-N 3.28Å; L298-Q300 VanDerWaalsContact C-N 3.27Å; L298-Q300 PolarHBondContact O-N 3.32Å; Q300-C302 PolarHBondContact O-N 3.47Å
301	P	87.6	Confident	89.5	Confident	73 Å²	73	32.7 Å²	32.7	47%	0.474	18%	0.179	S	C	.	.			trans	-63.4	124.2	177.2	-22.2	32.6	0	0	0	111.5	P236 Y237	P236-P301 HydrophobicContact CB-CB 3.8Å; P236-P301 VanDerWaalsContact O-CA 3.26Å; P236-P301 WeakPolarHBondContact O-CA 3.23Å; Y237-P301 HydrophobicContact CD1-CB 4.06Å; Y237-P301 HydrophobicContact CD1-CG 3.69Å; Y237-P301 HydrophobicContact CE1-CB 3.95Å; Y237-P301 HydrophobicContact CE1-CG 3.54Å
302	C	87.6	Confident	88.8	Confident	19 Å²	19	36 Å²	36	13%	0.128	20%	0.195	C	C	.	.			trans	-150.4	147.8	174.9	57.4	0	0	0	0	111.2	R233 P236 Q300	R233-C302 WeakPolarHBondContact CD-O 3.41Å; P236-C302 WeakPolarHBondContact CA-O 3.36Å; P236-C302 PolarHBondContact O-N 3.47Å; Q300-C302 PolarHBondContact O-N 3.47Å
303	T	89.4	Confident	87.7	Confident	92 Å²	92	42.7 Å²	42.7	56%	0.564	22%	0.218	S	C	*	.	S	Bend	trans	-80.6	-34.7	175.5	49.2	0	0	0	0	112	R233 P236	R233-T303 PolarHBondContact N-O 2.91Å; P236-T303 HydrophobicContact CG-CG2 3.87Å
304	V	92.6	Very high	86.3	Confident	42 Å²	42	45.2 Å²	45.2	26%	0.255	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.3	174.3	-173.5	0	0	0	0	108.3	E230	E230-V304 HydrophobicContact CB-CG1 4.36Å
305	L	93.1	Very high	84.2	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.8	176.5	179.2	71.1	0	0	0	109.3	E230 I231 L240 V281 L307	E230-L305 CarbonylContact C-O 3.5Å; E230-L305 WeakPolarHBondContact CA-O 3.32Å; I231-L305 HydrophobicContact CB-CB 4.36Å; I231-L305 PolarHBondContact N-O 2.89Å; I231-L305 PolarHBondContact O-N 3.42Å; L240-L305 HydrophobicContact CD1-CD2 3.97Å; L240-L305 HydrophobicContact CD2-CD2 3.67Å; L240-L305 HydrophobicContact CG-CD2 4.49Å; V281-L305 HydrophobicContact CG1-CD1 3.7Å; L305-L307 HydrophobicContact CD1-CD2 4Å; L305-L307 HydrophobicContact CD2-CD1 3.74Å; L305-L307 HydrophobicContact CD2-CD2 3.88Å; L305-L307 HydrophobicContact CD2-CG 3.74Å; L305-L307 HydrophobicContact CG-CD1 4.39Å; L305-L307 HydrophobicContact CG-CD2 3.85Å; L305-L307 HydrophobicContact CG-CG 3.83Å
306	H	93.2	Very high	81.7	Confident	67 Å²	67	52.3 Å²	52.3	31%	0.31	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.8	171.9	-56.5	70	0	0	0	108.7	I229 E230 V281 N282	I229-H306 CarbonylContact O-C 3.56Å; I229-H306 WeakPolarHBondContact O-CA 3.47Å; E230-H306 VanDerWaalsContact CG-CD2 3.47Å; E230-H306 WeakPolarHBondContact CG-CD2 3.41Å; E230-H306 IonicContact OE1-CD2 2.74Å; E230-H306 IonicContact OE1-NE2 3.42Å; V281-H306 CarbonylContact C-O 3.53Å; V281-H306 WeakPolarHBondContact CA-O 3.47Å; N282-H306 PolarHBondContact N-O 3.35Å; N282-H306 PolarHBondContact OD1-N 3.12Å
307	L	95.1	Very high	78.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.3	176	-62.6	178.6	0	0	0	109.5	T228 I229 I231 I266 L272 I278 V281 L298 L305 V309	T228-L307 CarbonylContact C-O 3.48Å; T228-L307 VanDerWaalsContact CA-O 3.32Å; T228-L307 WeakPolarHBondContact CA-O 3.4Å; I229-L307 HydrophobicContact CG1-CB 3.94Å; I229-L307 WeakPolarHBondContact CG1-O 3.16Å; I229-L307 PolarHBondContact N-O 3.33Å; I229-L307 PolarHBondContact O-N 3.44Å; I231-L307 HydrophobicContact CD1-CD1 3.98Å; I266-L307 HydrophobicContact CD1-CD1 4.38Å; L272-L307 HydrophobicContact CD1-CD1 3.65Å; I278-L307 HydrophobicContact CG2-CD2 4.37Å; V281-L307 HydrophobicContact CB-CD2 4.29Å; V281-L307 HydrophobicContact CG1-CD2 4.04Å; V281-L307 HydrophobicContact CG2-CD2 3.82Å; L298-L307 HydrophobicContact CD2-CD2 3.97Å; L305-L307 HydrophobicContact CD1-CD2 4Å; L305-L307 HydrophobicContact CD2-CD1 3.74Å; L305-L307 HydrophobicContact CD2-CD2 3.88Å; L305-L307 HydrophobicContact CD2-CG 3.74Å; L305-L307 HydrophobicContact CG-CD1 4.39Å; L305-L307 HydrophobicContact CG-CD2 3.85Å; L305-L307 HydrophobicContact CG-CG 3.83Å; L307-V309 HydrophobicContact CB-CG1 4.07Å
308	T	90.4	Very high	75.9	Confident	14 Å²	14	66.6 Å²	66.6	9%	0.086	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116	167.4	-57.3	0	0	0	0	108.3	I226 T227 T228 L279 Q280	I226-T308 HydrophobicContact CG2-CG2 3.24Å; T227-T308 CarbonylContact O-C 3.55Å; T227-T308 WeakPolarHBondContact O-CA 3.1Å; T228-T308 PolarHBondContact OG1-OG1 2.92Å; L279-T308 PolarHBondContact N-O 3.15Å; Q280-T308 PolarHBondContact N-O 3.2Å; Q280-T308 PolarHBondContact O-N 3.11Å
309	V	92.9	Very high	72.8	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.006	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.9	-171.9	-61.4	0	0	0	0	112	L221 I226 T227 L272 Q277 I278 L307	L221-V309 HydrophobicContact CD1-CG2 3.64Å; I226-V309 WeakPolarHBondContact CA-O 3.42Å; T227-V309 PolarHBondContact N-O 2.89Å; T227-V309 PolarHBondContact O-N 3.44Å; L272-V309 HydrophobicContact CD2-CB 4.13Å; L272-V309 HydrophobicContact CD2-CG1 3.71Å; L272-V309 HydrophobicContact CD2-CG2 3.82Å; Q277-V309 CarbonylContact O-C 3.56Å; Q277-V309 WeakPolarHBondContact O-CA 3.31Å; I278-V309 HydrophobicContact CG1-CG1 4.41Å; I278-V309 HydrophobicContact CG2-CG1 4.48Å; L307-V309 HydrophobicContact CB-CG1 4.07Å
310	L	85.7	Confident	70.1	Confident	40 Å²	40	76.8 Å²	76.8	21%	0.209	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117	172.7	174.1	65.9	0	0	0	109.1	I226 Q277 L279	I226-L310 HydrophobicContact CG1-CB 4.44Å; I226-L310 HydrophobicContact CG1-CD1 4.17Å; Q277-L310 HydrophobicContact CB-CB 4.4Å; Q277-L310 PolarHBondContact N-O 3.35Å; Q277-L310 PolarHBondContact O-N 3.19Å; L279-L310 HydrophobicContact CD1-CB 3.95Å; L279-L310 HydrophobicContact CG-CB 4.41Å
311	R	84.8	Confident	67.3	Low	21 Å²	21	82 Å²	82	8%	0.079	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-87	117.9	168	-178.2	164	-70.7	164.1	3.4	109	E223 G224 R271 L273 D276	E223-R311 HydrophobicContact CG-CG 4.16Å; G224-R311 WeakPolarHBondContact CA-O 3.48Å; G224-R311 PolarHBondContact N-O 3.19Å; R271-R311 PolarHBondContact O-NH2 3.34Å; L273-R311 VanDerWaalsContact CG-NH2 3.3Å; D276-R311 WeakPolarHBondContact OD1-CB 3.44Å; D276-R311 WeakPolarHBondContact OD1-CG 3.41Å; D276-R311 IonicContact OD1-CZ 3.4Å; D276-R311 IonicContact OD1-NE 3.54Å; D276-R311 PolarHBondContact OD1-NE 2.98Å; D276-R311 IonicContact OD1-NH2 3.52Å; D276-R311 PolarHBondContact OD1-NH2 3.35Å; D276-R311 IonicContact OD2-CZ 3.32Å; D276-R311 IonicContact OD2-NE 3.33Å; D276-R311 IonicContact OD2-NH2 3.64Å; D276-R311 PolarHBondContact OD2-NH2 3.4Å
312	E	72.6	Confident	64.8	Low	70 Å²	70	86.7 Å²	86.7	33%	0.327	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-62.8	139.8	177.9	-164.2	164.1	173	0	0	110	R314 T629	E312-R314 PolarHBondContact O-N 2.76Å; E312-T629 WeakPolarHBondContact OE2-CG2 3.31Å
313	R	63.5	Low	62	Low	166 Å²	166	90.4 Å²	90.4	63%	0.626	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-60.8	134.4	178.3	-72.8	-176.9	176	152.7	0.5	109.3	E223 F315	E223-R313 HydrophobicContact CB-CG 4.17Å; E223-R313 PolarHBondContact O-NE 2.99Å; R313-F315 PolarHBondContact O-N 3.16Å
314	R	58.3	Low	59.4	Low	141 Å²	141	94.1 Å²	94.1	53%	0.532	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-51.5	131.4	166.4	-70	174.8	-158.6	-166.8	8.8	107.4	E223 E312 G316	E223-R314 VanDerWaalsContact OE1-CD 3.32Å; E223-R314 WeakPolarHBondContact OE1-CD 3.46Å; E223-R314 WeakPolarHBondContact OE1-CG 3.47Å; E223-R314 IonicContact OE1-CZ 3.89Å; E223-R314 IonicContact OE1-NE 2.92Å; E223-R314 PolarHBondContact OE1-NE 2.77Å; E223-R314 IonicContact OE1-NH2 3.13Å; E223-R314 PolarHBondContact OE1-NH2 3.4Å; E223-R314 WeakPolarHBondContact OE2-CB 3.38Å; E223-R314 VanDerWaalsContact OE2-CG 3.28Å; E223-R314 WeakPolarHBondContact OE2-CG 3.4Å; E223-R314 PolarHBondContact OE2-N 3.49Å; E223-R314 IonicContact OE2-NE 2.76Å; E312-R314 PolarHBondContact O-N 2.76Å; R314-G316 PolarHBondContact O-N 2.92Å
315	F	45.8	Very low	56.3	Low	173 Å²	173	99.7 Å²	99.7	76%	0.759	50%	0.502	S	S	*	.			trans	-69.8	66.2	159.5	-80.8	-88.5	0	0	0	108.2	R313	R313-F315 PolarHBondContact O-N 3.16Å
316	G	36.5	Very low	53.7	Low	52 Å²	52	105.8 Å²	105.8	54%	0.536	54%	0.539	S	S	.	.			trans	-94.3	124.5	171.3	0	0	0	0	0	108.5	R314 R318	R314-G316 PolarHBondContact O-N 2.92Å; G316-R318 PolarHBondContact O-N 2.66Å
317	S	28.4	Very low	50.7	Low	107 Å²	107	107.4 Å²	107.4	75%	0.748	56%	0.558	S	S	*	*			trans	-25.4	123.9	152.5	-175.4	0	0	0	0	111.3	T319	S317-T319 PolarHBondContact O-N 3.41Å
318	R	29.9	Very low	48.1	Very low	224 Å²	224	112.9 Å²	112.9	85%	0.845	60%	0.596	S	S	*	*			trans	-62.3	88.8	170.9	-73.5	-179.7	171.8	178.7	-2.4	108.2	G316 H320	G316-R318 PolarHBondContact O-N 2.66Å; R318-H320 PolarHBondContact O-N 3.46Å
319	T	26.4	Very low	45.4	Very low	120 Å²	120	120.5 Å²	120.5	74%	0.736	64%	0.636	S	S	*	*			trans	-68.7	87.7	155	43	0	0	0	0	106.1	S317 N321	S317-T319 PolarHBondContact O-N 3.41Å; T319-N321 PolarHBondContact O-N 2.77Å
320	H	32.6	Very low	43	Very low	147 Å²	147	131.9 Å²	131.9	68%	0.681	68%	0.679	S	S	*	*			trans	-62.3	96.1	160.3	-102	-68.7	0	0	0	106.6	R318 H322	R318-H320 PolarHBondContact O-N 3.46Å; H320-H322 VanDerWaalsContact C-N 3.29Å; H320-H322 PolarHBondContact O-N 2.93Å
321	N	27.8	Very low	41.2	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	69%	0.693	S	S	*	*			trans	-59.3	104.4	150.9	-86.3	-16.9	0	0	0	106.1	T319 A323	T319-N321 PolarHBondContact O-N 2.77Å; N321-A323 PolarHBondContact O-N 2.78Å
322	H	35	Very low	39.9	Very low	172 Å²	172	139.6 Å²	139.6	80%	0.796	72%	0.718	S	S	*	*			trans	-60.1	116.9	169	-93.2	-79.6	0	0	0	109	H320	H320-H322 VanDerWaalsContact C-N 3.29Å; H320-H322 PolarHBondContact O-N 2.93Å
323	A	28.6	Very low	40.1	Very low	96 Å²	96	139.6 Å²	139.6	79%	0.793	73%	0.726	S	S	*	*			trans	-114.8	118.8	140.4	0	0	0	0	0	105.9	N321 N325	N321-A323 PolarHBondContact O-N 2.78Å; A323-N325 PolarHBondContact O-N 2.8Å
324	E	35.3	Very low	40.9	Very low	171 Å²	171	134.9 Å²	134.9	80%	0.799	71%	0.71	S	S	*	*			trans	-53.3	129.2	-175.3	-62.3	167.8	144.3	0	0	111.9
325	N	26.1	Very low	42	Very low	158 Å²	158	133.6 Å²	133.6	85%	0.845	71%	0.71	S	S	*	*				-168.3	134.3	121.6	-102.3	-23.6	0	0	0	113.2	A323	A323-N325 PolarHBondContact O-N 2.8Å
326	T	38.7	Very low	43.9	Very low	129 Å²	129	125.4 Å²	125.4	79%	0.791	67%	0.674	S	S	*	*			trans	-55.8	131.4	179.4	46.3	0	0	0	0	115.2
327	S	30.9	Very low	46.3	Very low	102 Å²	102	124.9 Å²	124.9	71%	0.713	66%	0.66	S	S	*	*				174.5	106.7	126.8	59.4	0	0	0	0	113.3
328	S	39.4	Very low	49	Very low	114 Å²	114	120 Å²	120	80%	0.797	63%	0.626	S	S	*	*			trans	46.3	95.2	142.9	60.8	0	0	0	0	120.8
329	L	33.9	Very low	51.6	Low	175 Å²	175	114.4 Å²	114.4	92%	0.916	61%	0.609	S	S	*	*			trans	-97.5	128.5	145	-83.6	149.6	0	0	0	107.4	E331	L329-E331 PolarHBondContact O-N 2.77Å
330	R	42.1	Very low	54.3	Low	240 Å²	240	109.2 Å²	109.2	91%	0.906	58%	0.577	S	S	*	*			trans	-74	109.7	179.7	-65.3	-149.7	-169	-108.1	6.1	109.6
331	E	48.7	Very low	56.3	Low	108 Å²	108	112 Å²	112	51%	0.505	58%	0.581	S	S	.	*			trans	-80	122.8	159.6	-73.4	-177	-177	0	0	107.9	L329 S333 R382 S415	L329-E331 PolarHBondContact O-N 2.77Å; E331-S333 PolarHBondContact O-N 3.22Å; E331-R382 IonicContact OE1-NH1 2.63Å; E331-S415 PolarHBondContact OE2-OG 3.47Å
332	D	57.9	Low	58.6	Low	114 Å²	114	108.1 Å²	108.1	61%	0.61	56%	0.56	S	S	*	*			trans	-71.1	95.1	170.4	-80.9	-21.4	0	0	0	108.6
333	S	77.4	Confident	60.3	Low	70 Å²	70	104 Å²	104	49%	0.49	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.9	130.4	173	65.1	0	0	0	0	110.7	E331 I414	E331-S333 PolarHBondContact O-N 3.22Å; S333-I414 CarbonylContact C-O 3.57Å; S333-I414 WeakPolarHBondContact CA-O 3.4Å
334	F	80.1	Confident	62.4	Low	68 Å²	68	104 Å²	104	30%	0.298	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	164.3	175.7	67.2	-83.6	0	0	0	111.3	V336 I414 R416	F334-V336 HydrophobicContact CD2-CG2 3.88Å; F334-V336 HydrophobicContact CE2-CG2 3.56Å; F334-I414 HydrophobicContact CE1-CB 4.13Å; F334-I414 HydrophobicContact CE1-CG2 3.89Å; F334-I414 HydrophobicContact CE2-CB 4.32Å; F334-I414 HydrophobicContact CZ-CB 4Å; F334-I414 HydrophobicContact CZ-CG2 3.82Å; F334-I414 PolarHBondContact N-O 3.2Å; F334-I414 PolarHBondContact O-N 3.11Å; F334-R416 HydrophobicContact CE1-CB 4.01Å
335	Q	80.7	Confident	64.5	Low	114 Å²	114	97.5 Å²	97.5	53%	0.533	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.7	-171.7	-168.7	169.1	28.1	0	0	111.6	N411 L412 V413	Q335-N411 VanDerWaalsContact CD-OD1 3.23Å; Q335-N411 WeakPolarHBondContact CG-OD1 3.31Å; Q335-N411 PolarHBondContact NE2-ND2 3.09Å; Q335-N411 PolarHBondContact NE2-OD1 3.41Å; Q335-L412 CarbonylContact C-O 3.55Å; Q335-L412 WeakPolarHBondContact CA-O 3.34Å; Q335-V413 HydrophobicContact CG-CG2 4.46Å
336	V	85.7	Confident	67.1	Low	0 Å²	0	97.2 Å²	97.2	0%	0	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.5	-179.8	178.1	0	0	0	0	108.9	F334 L338 D374 R376 L377 N411 L412	F334-V336 HydrophobicContact CD2-CG2 3.88Å; F334-V336 HydrophobicContact CE2-CG2 3.56Å; V336-L338 HydrophobicContact CG1-CD2 3.97Å; V336-L338 HydrophobicContact CG1-CG 4.19Å; V336-D374 WeakPolarHBondContact CG1-OD2 3.38Å; V336-R376 HydrophobicContact CG2-CB 4.01Å; V336-L377 HydrophobicContact CB-CD2 4.13Å; V336-L377 HydrophobicContact CG1-CD1 4.35Å; V336-L377 HydrophobicContact CG1-CD2 4.24Å; V336-L377 HydrophobicContact CG1-CG 4.13Å; V336-L377 HydrophobicContact CG2-CD2 3.85Å; V336-L377 HydrophobicContact CG2-CG 4.43Å; V336-N411 CarbonylContact O-C 3.57Å; V336-L412 HydrophobicContact CB-CB 4.5Å; V336-L412 PolarHBondContact N-O 3.29Å; V336-L412 PolarHBondContact O-N 2.97Å
337	T	86.6	Confident	69.1	Low	41 Å²	41	91.3 Å²	91.3	25%	0.252	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.5	174.5	-59.5	0	0	0	0	109.3	R376 R409 V410	T337-R376 PolarHBondContact O-NH2 3.03Å; T337-R409 HydrophobicContact CG2-CG 3.51Å; T337-V410 CarbonylContact C-O 3.56Å; T337-V410 WeakPolarHBondContact CA-O 2.87Å
338	L	84.8	Confident	71.5	Confident	5 Å²	5	86.7 Å²	86.7	3%	0.026	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.3	175.6	-59.5	-179.5	0	0	0	109.8	V336 L347 I349 A371 D374 L377 V410 L412	V336-L338 HydrophobicContact CG1-CD2 3.97Å; V336-L338 HydrophobicContact CG1-CG 4.19Å; L338-L347 HydrophobicContact CB-CD2 3.98Å; L338-L347 HydrophobicContact CD1-CB 4.32Å; L338-L347 HydrophobicContact CD1-CD1 4.23Å; L338-L347 HydrophobicContact CD1-CD2 4.03Å; L338-L347 HydrophobicContact CD1-CG 4.43Å; L338-I349 HydrophobicContact CD1-CD1 4.18Å; L338-A371 HydrophobicContact CD1-CB 3.98Å; L338-D374 HydrophobicContact CD2-CB 3.39Å; L338-D374 VanDerWaalsContact CD2-CG 3.46Å; L338-L377 HydrophobicContact CD1-CD1 3.98Å; L338-V410 PolarHBondContact N-O 3.04Å; L338-V410 PolarHBondContact O-N 3.48Å; L338-L412 HydrophobicContact CD1-CD1 3.93Å; L338-L412 HydrophobicContact CG-CD1 4.24Å
339	H	84.5	Confident	73.7	Confident	107 Å²	107	82.7 Å²	82.7	50%	0.495	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.3	178.5	-73	-106	0	0	0	109.9	E408 R409	H339-E408 CarbonylContact C-O 3.48Å; H339-E408 VanDerWaalsContact CA-O 3.26Å; H339-E408 WeakPolarHBondContact CA-O 3.32Å; H339-R409 PolarHBondContact CE1-NE 3.12Å; H339-R409 VanDerWaalsContact CE1-NE 3.35Å
340	K	82.8	Confident	75.8	Confident	11 Å²	11	79.6 Å²	79.6	5%	0.048	39%	0.389	C	S	.	.			trans	-88.7	144.7	170.2	-56.1	175.8	-177.7	170.5	0	109	D342 E345 L347 L370 I403 S406 E408	K340-D342 VanDerWaalsContact C-N 3.31Å; K340-D342 WeakPolarHBondContact CB-O 3.47Å; K340-E345 HydrophobicContact CB-CB 4.25Å; K340-E345 VanDerWaalsContact CD-O 3.31Å; K340-E345 WeakPolarHBondContact CD-O 3.19Å; K340-E345 WeakPolarHBondContact CE-O 3.49Å; K340-L347 HydrophobicContact CG-CD2 3.9Å; K340-L370 HydrophobicContact CB-CD1 4.4Å; K340-L370 HydrophobicContact CG-CD1 4.09Å; K340-I403 PolarHBondContact NZ-O 2.99Å; K340-S406 PolarHBondContact NZ-O 3.49Å; K340-S406 VanDerWaalsContact NZ-O 3.08Å; K340-E408 PolarHBondContact N-O 3.37Å
341	R	75.8	Confident	77.7	Confident	204 Å²	204	69.5 Å²	69.5	77%	0.77	35%	0.353	S	S	*	.	S	Bend	trans	-71.1	-29.5	172.5	-67.3	-178.2	-73	179.7	-1.9	112.1	E345	R341-E345 WeakPolarHBondContact CB-OE2 3.02Å; R341-E345 IonicContact CZ-OE1 3.25Å; R341-E345 VanDerWaalsContact CZ-OE1 3.25Å; R341-E345 PolarHBondContact N-OE2 3.33Å; R341-E345 IonicContact NE-OE1 2.92Å; R341-E345 PolarHBondContact NE-OE1 3.45Å; R341-E345 IonicContact NE-OE2 3.59Å; R341-E345 IonicContact NH2-OE1 2.72Å; R341-E345 PolarHBondContact NH2-OE1 2.88Å
342	D	75.6	Confident	79.2	Confident	71 Å²	71	66.2 Å²	66.2	38%	0.38	34%	0.34	S	S	.	.	S	Bend	trans	-150.3	167.2	172.4	63.4	56.5	0	0	0	110.6	K340 S344 E345	K340-D342 VanDerWaalsContact C-N 3.31Å; K340-D342 WeakPolarHBondContact CB-O 3.47Å; D342-S344 PolarHBondContact O-N 3.38Å; D342-S344 VanDerWaalsContact O-N 3.12Å; D342-S344 VanDerWaalsContact OD1-CA 3.3Å; D342-S344 WeakPolarHBondContact OD1-CA 3.34Å; D342-S344 WeakPolarHBondContact OD1-CB 3.47Å; D342-S344 PolarHBondContact OD1-N 3.19Å; D342-S344 PolarHBondContact OD1-OG 3.34Å; D342-E345 PolarHBondContact O-N 3.09Å; D342-E345 PolarHBondContact OD1-N 3.13Å
343	S	71.7	Confident	79.9	Confident	85 Å²	85	67 Å²	67	59%	0.594	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.3	-178.3	52.8	0	0	0	0	114.9
344	S	71	Confident	79.6	Confident	96 Å²	96	66.4 Å²	66.4	67%	0.671	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.1	-178.3	73.1	0	0	0	0	113.8	D342	D342-S344 PolarHBondContact O-N 3.38Å; D342-S344 VanDerWaalsContact O-N 3.12Å; D342-S344 VanDerWaalsContact OD1-CA 3.3Å; D342-S344 WeakPolarHBondContact OD1-CA 3.34Å; D342-S344 WeakPolarHBondContact OD1-CB 3.47Å; D342-S344 PolarHBondContact OD1-N 3.19Å; D342-S344 PolarHBondContact OD1-OG 3.34Å
345	E	79.1	Confident	78.1	Confident	36 Å²	36	70.6 Å²	70.6	17%	0.168	35%	0.352	C	S	.	.			trans	-68.6	130.4	178.8	-168.5	171.8	-139.3	0	0	111.8	K340 R341 D342 L370	K340-E345 HydrophobicContact CB-CB 4.25Å; K340-E345 VanDerWaalsContact CD-O 3.31Å; K340-E345 WeakPolarHBondContact CD-O 3.19Å; K340-E345 WeakPolarHBondContact CE-O 3.49Å; R341-E345 WeakPolarHBondContact CB-OE2 3.02Å; R341-E345 IonicContact CZ-OE1 3.25Å; R341-E345 VanDerWaalsContact CZ-OE1 3.25Å; R341-E345 PolarHBondContact N-OE2 3.33Å; R341-E345 IonicContact NE-OE1 2.92Å; R341-E345 PolarHBondContact NE-OE1 3.45Å; R341-E345 IonicContact NE-OE2 3.59Å; R341-E345 IonicContact NH2-OE1 2.72Å; R341-E345 PolarHBondContact NH2-OE1 2.88Å; D342-E345 PolarHBondContact O-N 3.09Å; D342-E345 PolarHBondContact OD1-N 3.13Å; E345-L370 HydrophobicContact CG-CD1 3.92Å; E345-L370 HydrophobicContact CG-CG 4.48Å
346	Q	81.1	Confident	76.7	Confident	151 Å²	151	70.8 Å²	70.8	71%	0.706	36%	0.357	S	S	*	.			trans	-84.2	143.6	-179.6	-63	-176.8	3.2	0	0	111	G348	Q346-G348 PolarHBondContact O-N 2.75Å
347	L	81.6	Confident	75.3	Confident	6 Å²	6	75.1 Å²	75.1	3%	0.031	38%	0.377	C	S	.	.			trans	-71.1	-17.3	177.5	-60.1	-179.1	0	0	0	113.1	L338 K340 I349 L370 A371 I403 V410	L338-L347 HydrophobicContact CB-CD2 3.98Å; L338-L347 HydrophobicContact CD1-CB 4.32Å; L338-L347 HydrophobicContact CD1-CD1 4.23Å; L338-L347 HydrophobicContact CD1-CD2 4.03Å; L338-L347 HydrophobicContact CD1-CG 4.43Å; K340-L347 HydrophobicContact CG-CD2 3.9Å; L347-I349 HydrophobicContact CB-CD1 3.98Å; L347-I349 HydrophobicContact CB-CG1 4.07Å; L347-I349 HydrophobicContact CD1-CD1 4.19Å; L347-L370 HydrophobicContact CD2-CD1 4.06Å; L347-L370 PolarHBondContact O-N 3.03Å; L347-A371 WeakPolarHBondContact O-CB 3.42Å; L347-A371 PolarHBondContact O-N 3.48Å; L347-I403 HydrophobicContact CD1-CB 4.47Å; L347-I403 HydrophobicContact CD1-CD1 4.26Å; L347-I403 HydrophobicContact CD1-CG1 4.15Å; L347-I403 HydrophobicContact CD1-CG2 3.5Å; L347-I403 VanDerWaalsContact CD1-CG2 3.5Å; L347-I403 HydrophobicContact CG-CG2 3.89Å; L347-V410 HydrophobicContact CD1-CB 4.04Å; L347-V410 HydrophobicContact CD1-CG1 3.88Å; L347-V410 HydrophobicContact CD1-CG2 4.1Å; L347-V410 HydrophobicContact CD2-CB 4.49Å; L347-V410 HydrophobicContact CD2-CG2 4.21Å
348	G	81.9	Confident	74.1	Confident	5 Å²	5	76.8 Å²	76.8	5%	0.052	39%	0.389	C	S	.	.			trans	71.7	34.7	-176	0	0	0	0	0	113.9	Q346 L365 L366	Q346-G348 PolarHBondContact O-N 2.75Å; G348-L365 CarbonylContact O-C 3.49Å; G348-L365 WeakPolarHBondContact O-CA 3.29Å; G348-L366 PolarHBondContact O-N 2.79Å
349	I	83.9	Confident	73.9	Confident	29 Å²	29	76.5 Å²	76.5	15%	0.149	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.9	179.2	-53.7	170.4	0	0	0	109.1	L338 L347 L351 I362 L365 A371 L377 L412	L338-I349 HydrophobicContact CD1-CD1 4.18Å; L347-I349 HydrophobicContact CB-CD1 3.98Å; L347-I349 HydrophobicContact CB-CG1 4.07Å; L347-I349 HydrophobicContact CD1-CD1 4.19Å; I349-L351 HydrophobicContact CG2-CD2 3.63Å; I349-L351 HydrophobicContact CG2-CG 4.11Å; I349-I362 HydrophobicContact CG2-CB 4.36Å; I349-I362 HydrophobicContact CG2-CD1 3.99Å; I349-I362 HydrophobicContact CG2-CG1 3.85Å; I349-I362 HydrophobicContact CG2-CG2 3.86Å; I349-L365 HydrophobicContact CB-CD2 4.3Å; I349-L365 HydrophobicContact CG1-CD2 3.94Å; I349-L365 HydrophobicContact CG2-CD2 4.13Å; I349-A371 HydrophobicContact CD1-CB 3.73Å; I349-A371 HydrophobicContact CG1-CB 3.23Å; I349-L377 HydrophobicContact CD1-CD1 3.67Å; I349-L377 HydrophobicContact CG1-CD1 4.41Å; I349-L412 HydrophobicContact CD1-CD1 4.32Å
350	K	78.5	Confident	73.9	Confident	110 Å²	110	71.4 Å²	71.4	48%	0.478	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.9	172	-167.6	174.7	-176.4	-178.1	0	109.5	I362 L363 D364	K350-I362 CarbonylContact O-C 3.04Å; K350-L363 HydrophobicContact CB-CB 4.43Å; K350-L363 HydrophobicContact CD-CB 4.47Å; K350-L363 HydrophobicContact CD-CD2 3.72Å; K350-L363 HydrophobicContact CD-CG 4.32Å; K350-L363 HydrophobicContact CG-CB 4.28Å; K350-L363 HydrophobicContact CG-CD2 4.21Å; K350-L363 PolarHBondContact O-N 2.61Å; K350-D364 HydrophobicContact CB-CB 4.19Å; K350-D364 WeakPolarHBondContact CB-O 3.46Å; K350-D364 HydrophobicContact CD-CB 4.37Å; K350-D364 PolarHBondContact N-O 3.32Å
351	L	82.9	Confident	74.2	Confident	29 Å²	29	71 Å²	71	15%	0.152	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	139.5	-178.8	-61.2	175.2	0	0	0	111.1	I349 V360 F361 I362 V383 P396 A399 I403	I349-L351 HydrophobicContact CG2-CD2 3.63Å; I349-L351 HydrophobicContact CG2-CG 4.11Å; L351-V360 HydrophobicContact CB-CG1 3.82Å; L351-V360 HydrophobicContact CD1-CG1 4.06Å; L351-V360 HydrophobicContact CD2-CG1 4.02Å; L351-V360 HydrophobicContact CG-CG1 4.18Å; L351-F361 CarbonylContact C-O 3.59Å; L351-F361 WeakPolarHBondContact CA-O 3.42Å; L351-I362 HydrophobicContact CD2-CG1 4.01Å; L351-V383 HydrophobicContact CD2-CG2 3.97Å; L351-P396 HydrophobicContact CB-CB 4.17Å; L351-A399 HydrophobicContact CD1-CB 3.63Å; L351-I403 HydrophobicContact CD1-CD1 3.89Å
352	V	79.8	Confident	74.6	Confident	38 Å²	38	61.3 Å²	61.3	23%	0.23	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153.4	176.8	-66.6	0	0	0	0	111.5	F361 L363 P396	V352-F361 HydrophobicContact CG2-CB 4.34Å; V352-F361 PolarHBondContact N-O 3.39Å; V352-F361 PolarHBondContact O-N 3.25Å; V352-L363 HydrophobicContact CB-CB 4.31Å; V352-L363 HydrophobicContact CG1-CB 3.65Å; V352-L363 HydrophobicContact CG1-CD2 3.63Å; V352-L363 HydrophobicContact CG1-CG 4.16Å; V352-L363 HydrophobicContact CG2-CB 3.75Å; V352-P396 VanDerWaalsContact C-CG 3.48Å
353	R	73.3	Confident	74.8	Confident	130 Å²	130	61.6 Å²	61.6	49%	0.491	33%	0.327	S	S	.	.			trans	-94	127.8	163.3	177	174.7	-87.2	-173.1	-11.7	107.3	G394 P396	R353-G394 PolarHBondContact NH2-O 3.2Å; R353-P396 HydrophobicContact CB-CG 3.88Å; R353-P396 VanDerWaalsContact N-CG 3.3Å
354	R	69.6	Low	75.1	Confident	58 Å²	58	61.3 Å²	61.3	22%	0.219	32%	0.319	C	S	.	.			trans	-87.7	156.9	172.5	-55.5	-179.5	173.4	160.1	2.7	110.5	D356 F361 N380	R354-D356 WeakPolarHBondContact CB-OD1 3.39Å; R354-D356 WeakPolarHBondContact CD-OD1 3.47Å; R354-F361 HydrophobicContact CB-CD2 4.21Å; R354-F361 HydrophobicContact CB-CE2 4.22Å; R354-F361 HydrophobicContact CG-CB 4.33Å; R354-F361 HydrophobicContact CG-CD2 3.62Å; R354-F361 HydrophobicContact CG-CE2 4.04Å; R354-F361 HydrophobicContact CG-CG 3.97Å; R354-N380 VanDerWaalsContact NH2-CG 3.33Å; R354-N380 PolarHBondContact NH2-O 3.31Å; R354-N380 PolarHBondContact NH2-OD1 3.33Å
355	T	50.3	Low	75.6	Confident	156 Å²	156	58.2 Å²	58.2	96%	0.957	29%	0.294	S	S	*	.	S	Bend	trans	-91.3	-11.3	179.3	52.3	0	0	0	0	112.9
356	D	50.6	Low	75.4	Confident	118 Å²	118	60.7 Å²	60.7	63%	0.631	31%	0.308	S	S	*	.	S	Bend	trans	-91.6	-31.7	177.9	57.3	-9.8	0	0	0	112.7	R354	R354-D356 WeakPolarHBondContact CB-OD1 3.39Å; R354-D356 WeakPolarHBondContact CD-OD1 3.47Å
357	E	56.6	Low	74.8	Confident	91 Å²	91	63 Å²	63	43%	0.425	32%	0.319	S	S	.	.	S	Bend	trans	-136.5	134.7	179	-65.8	-173.5	171	0	0	113	F361	E357-F361 HydrophobicContact CB-CE2 4.23Å; E357-F361 HydrophobicContact CB-CZ 3.73Å
358	P	61.8	Low	74.2	Confident	76 Å²	76	65.4 Å²	65.4	49%	0.494	35%	0.345	S	S	.	.	S	Bend	trans	-72.7	132.5	175.4	29.8	-33.2	0	0	0	110.9	R382 K392	P358-R382 PolarHBondContact O-NH2 3.48Å; P358-K392 CarbonylContact C-O 3.5Å
359	G	79.4	Confident	74.2	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	140.6	-177	179.2	0	0	0	0	0	111.8	K392	G359-K392 VanDerWaalsContact CA-O 3.24Å; G359-K392 WeakPolarHBondContact CA-O 3.2Å
360	V	84	Confident	73.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.9	179.9	-173.6	0	0	0	0	109	L351 V383 L391 P396 A399	L351-V360 HydrophobicContact CB-CG1 3.82Å; L351-V360 HydrophobicContact CD1-CG1 4.06Å; L351-V360 HydrophobicContact CD2-CG1 4.02Å; L351-V360 HydrophobicContact CG-CG1 4.18Å; V360-V383 HydrophobicContact CB-CB 4.46Å; V360-V383 PolarHBondContact O-N 2.94Å; V360-L391 HydrophobicContact CG2-CB 4.38Å; V360-P396 HydrophobicContact CG1-CB 4.49Å; V360-P396 HydrophobicContact CG1-CG 4.49Å; V360-A399 HydrophobicContact CG1-CB 4.01Å; V360-A399 HydrophobicContact CG2-CB 4.35Å
361	F	89	Confident	74.2	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.013	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149	-176.4	-60.9	-95.7	0	0	0	110.8	L351 V352 R354 E357 L363 D381 R382	L351-F361 CarbonylContact C-O 3.59Å; L351-F361 WeakPolarHBondContact CA-O 3.42Å; V352-F361 HydrophobicContact CG2-CB 4.34Å; V352-F361 PolarHBondContact N-O 3.39Å; V352-F361 PolarHBondContact O-N 3.25Å; R354-F361 HydrophobicContact CB-CD2 4.21Å; R354-F361 HydrophobicContact CB-CE2 4.22Å; R354-F361 HydrophobicContact CG-CB 4.33Å; R354-F361 HydrophobicContact CG-CD2 3.62Å; R354-F361 HydrophobicContact CG-CE2 4.04Å; R354-F361 HydrophobicContact CG-CG 3.97Å; E357-F361 HydrophobicContact CB-CE2 4.23Å; E357-F361 HydrophobicContact CB-CZ 3.73Å; F361-L363 PolarHBondContact O-N 3.46Å; F361-D381 WeakPolarHBondContact CA-O 3.21Å; F361-R382 HydrophobicContact CD1-CB 3.8Å; F361-R382 HydrophobicContact CD1-CG 3.97Å; F361-R382 HydrophobicContact CE1-CB 3.67Å; F361-R382 HydrophobicContact CE1-CG 3.56Å; F361-R382 HydrophobicContact CZ-CG 3.98Å
362	I	85.9	Confident	73.9	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	113.8	171.3	-56.8	-174.7	0	0	0	107.9	I349 K350 L351 L365 L377 N380 D381 V383	I349-I362 HydrophobicContact CG2-CB 4.36Å; I349-I362 HydrophobicContact CG2-CD1 3.99Å; I349-I362 HydrophobicContact CG2-CG1 3.85Å; I349-I362 HydrophobicContact CG2-CG2 3.86Å; K350-I362 CarbonylContact O-C 3.04Å; L351-I362 HydrophobicContact CD2-CG1 4.01Å; I362-L365 HydrophobicContact CG2-CD2 3.81Å; I362-L365 HydrophobicContact CG2-CG 4.38Å; I362-L377 HydrophobicContact CD1-CB 4.11Å; I362-L377 HydrophobicContact CD1-CD1 4.42Å; I362-L377 HydrophobicContact CD1-CD2 4.08Å; I362-L377 HydrophobicContact CD1-CG 4.44Å; I362-N380 WeakPolarHBondContact O-CA 3.14Å; I362-N380 PolarHBondContact O-N 3.48Å; I362-D381 HydrophobicContact CB-CB 4.41Å; I362-D381 HydrophobicContact CD1-CB 4Å; I362-D381 HydrophobicContact CG1-CB 4.25Å; I362-D381 PolarHBondContact N-O 3.32Å; I362-V383 HydrophobicContact CD1-CG2 4.44Å; I362-V383 HydrophobicContact CG1-CG2 3.95Å
363	L	79.9	Confident	73.7	Confident	77 Å²	77	65.8 Å²	65.8	40%	0.403	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-44.9	171.9	176.8	62.4	0	0	0	110.6	K350 V352 F361 S379	K350-L363 HydrophobicContact CB-CB 4.43Å; K350-L363 HydrophobicContact CD-CB 4.47Å; K350-L363 HydrophobicContact CD-CD2 3.72Å; K350-L363 HydrophobicContact CD-CG 4.32Å; K350-L363 HydrophobicContact CG-CB 4.28Å; K350-L363 HydrophobicContact CG-CD2 4.21Å; K350-L363 PolarHBondContact O-N 2.61Å; V352-L363 HydrophobicContact CB-CB 4.31Å; V352-L363 HydrophobicContact CG1-CB 3.65Å; V352-L363 HydrophobicContact CG1-CD2 3.63Å; V352-L363 HydrophobicContact CG1-CG 4.16Å; V352-L363 HydrophobicContact CG2-CB 3.75Å; F361-L363 PolarHBondContact O-N 3.46Å; L363-S379 WeakPolarHBondContact O-CB 3.48Å; L363-S379 PolarHBondContact O-OG 3.15Å
364	D	76.9	Confident	74.1	Confident	79 Å²	79	62.2 Å²	62.2	42%	0.422	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	160.9	-172.6	-157	9.3	0	0	0	112	K350	K350-D364 HydrophobicContact CB-CB 4.19Å; K350-D364 WeakPolarHBondContact CB-O 3.46Å; K350-D364 HydrophobicContact CD-CB 4.37Å; K350-D364 PolarHBondContact N-O 3.32Å
365	L	81.9	Confident	74.2	Confident	30 Å²	30	62 Å²	62	16%	0.157	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.8	173.3	-59.7	-178.8	0	0	0	109.6	G348 I349 I362 E367 A371 A372 L377	G348-L365 CarbonylContact O-C 3.49Å; G348-L365 WeakPolarHBondContact O-CA 3.29Å; I349-L365 HydrophobicContact CB-CD2 4.3Å; I349-L365 HydrophobicContact CG1-CD2 3.94Å; I349-L365 HydrophobicContact CG2-CD2 4.13Å; I362-L365 HydrophobicContact CG2-CD2 3.81Å; I362-L365 HydrophobicContact CG2-CG 4.38Å; L365-E367 PolarHBondContact O-N 3.26Å; L365-A371 HydrophobicContact CD2-CB 3.86Å; L365-A372 HydrophobicContact CB-CB 4.22Å; L365-L377 HydrophobicContact CD1-CB 4.12Å; L365-L377 WeakPolarHBondContact CD1-O 3.43Å; L365-L377 HydrophobicContact CD2-CB 4.38Å
366	L	74.4	Confident	75.4	Confident	89 Å²	89	59.8 Å²	59.8	47%	0.466	34%	0.335	S	S	.	.			trans	-71.2	129.1	-179.9	-62.4	-178.1	0	0	0	110.4	G348 G368 G369 A372	G348-L366 PolarHBondContact O-N 2.79Å; L366-G368 PolarHBondContact O-N 2.98Å; L366-G369 PolarHBondContact O-N 2.63Å; L366-A372 WeakPolarHBondContact O-CB 3.47Å
367	E	67.9	Low	77	Confident	200 Å²	200	54.4 Å²	54.4	94%	0.935	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	123.5	177.9	-166.5	172.6	-171.3	0	0	110.5	L365	L365-E367 PolarHBondContact O-N 3.26Å
368	G	69.9	Low	78.1	Confident	56 Å²	56	52.5 Å²	52.5	58%	0.577	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-1.6	-174.4	0	0	0	0	0	116.1	L366 Q373	L366-G368 PolarHBondContact O-N 2.98Å; G368-Q373 PolarHBondContact O-NE2 3Å
369	G	80.7	Confident	78.9	Confident	14 Å²	14	51.3 Å²	51.3	14%	0.144	30%	0.296	C	S	.	.	S	Bend	trans	-79.5	159.6	175.8	0	0	0	0	0	114.4	L366 A371 A372 Q373	L366-G369 PolarHBondContact O-N 2.63Å; G369-A371 VanDerWaalsContact C-N 3.28Å; G369-A371 PolarHBondContact O-N 3.42Å; G369-A372 PolarHBondContact O-N 2.74Å; G369-Q373 WeakPolarHBondContact O-CG 3.44Å; G369-Q373 PolarHBondContact O-N 3.15Å
370	L	79.5	Confident	78.8	Confident	27 Å²	27	55 Å²	55	14%	0.141	32%	0.316	C	S	.	.	H	α-helix	trans	-55.3	-38.2	-174.9	-67.7	172.4	0	0	0	113.9	K340 E345 L347 Q373 D374	K340-L370 HydrophobicContact CB-CD1 4.4Å; K340-L370 HydrophobicContact CG-CD1 4.09Å; E345-L370 HydrophobicContact CG-CD1 3.92Å; E345-L370 HydrophobicContact CG-CG 4.48Å; L347-L370 HydrophobicContact CD2-CD1 4.06Å; L347-L370 PolarHBondContact O-N 3.03Å; L370-Q373 PolarHBondContact O-N 3.09Å; L370-D374 WeakPolarHBondContact O-CB 3.17Å; L370-D374 PolarHBondContact O-N 3.39Å
371	A	84	Confident	78.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-71.4	-33.9	178.6	0	0	0	0	0	113.3	L338 L347 I349 L365 G369 G375 L377	L338-A371 HydrophobicContact CD1-CB 3.98Å; L347-A371 WeakPolarHBondContact O-CB 3.42Å; L347-A371 PolarHBondContact O-N 3.48Å; I349-A371 HydrophobicContact CD1-CB 3.73Å; I349-A371 HydrophobicContact CG1-CB 3.23Å; L365-A371 HydrophobicContact CD2-CB 3.86Å; G369-A371 VanDerWaalsContact C-N 3.28Å; G369-A371 PolarHBondContact O-N 3.42Å; A371-G375 PolarHBondContact O-N 2.91Å; A371-L377 HydrophobicContact CB-CD1 3.86Å
372	A	77.3	Confident	78.8	Confident	39 Å²	39	56.7 Å²	56.7	32%	0.322	32%	0.322	S	S	.	.	H	α-helix	trans	-72.1	-36.2	172.6	0	0	0	0	0	111.1	L365 L366 G369 G375	L365-A372 HydrophobicContact CB-CB 4.22Å; L366-A372 WeakPolarHBondContact O-CB 3.47Å; G369-A372 PolarHBondContact O-N 2.74Å; A372-G375 PolarHBondContact O-N 3.37Å
373	Q	75.5	Confident	78.9	Confident	139 Å²	139	56.7 Å²	56.7	65%	0.65	32%	0.322	S	S	*	.	H	α-helix	trans	-68.6	-35.4	176.1	-67.9	179.5	19.1	0	0	113.1	G368 G369 L370	G368-Q373 PolarHBondContact O-NE2 3Å; G369-Q373 WeakPolarHBondContact O-CG 3.44Å; G369-Q373 PolarHBondContact O-N 3.15Å; L370-Q373 PolarHBondContact O-N 3.09Å
374	D	80.8	Confident	79.2	Confident	54 Å²	54	53.6 Å²	53.6	29%	0.289	31%	0.306	S	S	.	.	H	α-helix	trans	-71.8	-28.2	175.7	-178.4	82	0	0	0	112.7	V336 L338 L370 R376	V336-D374 WeakPolarHBondContact CG1-OD2 3.38Å; L338-D374 HydrophobicContact CD2-CB 3.39Å; L338-D374 VanDerWaalsContact CD2-CG 3.46Å; L370-D374 WeakPolarHBondContact O-CB 3.17Å; L370-D374 PolarHBondContact O-N 3.39Å; D374-R376 PolarHBondContact O-N 3.17Å; D374-R376 IonicContact OD1-CZ 3.51Å; D374-R376 IonicContact OD1-NE 3.56Å; D374-R376 PolarHBondContact OD1-NE 3.03Å; D374-R376 IonicContact OD1-NH2 3.5Å; D374-R376 PolarHBondContact OD1-NH2 3.22Å; D374-R376 WeakPolarHBondContact OD2-CB 3.31Å; D374-R376 IonicContact OD2-CZ 3.52Å; D374-R376 IonicContact OD2-NE 3.59Å; D374-R376 PolarHBondContact OD2-NE 3.31Å; D374-R376 IonicContact OD2-NH2 3.59Å; D374-R376 PolarHBondContact OD2-NH2 3.46Å
375	G	71.8	Confident	79.7	Confident	54 Å²	54	50.6 Å²	50.6	56%	0.557	29%	0.292	S	S	*	.			trans	70.6	-5.3	169.4	0	0	0	0	0	116.6	A371 A372	A371-G375 PolarHBondContact O-N 2.91Å; A372-G375 PolarHBondContact O-N 3.37Å
376	R	75.8	Confident	80.1	Confident	110 Å²	110	49.1 Å²	49.1	42%	0.415	29%	0.285	S	S	.	.			trans	-83.7	-26	179.5	-65.1	-178.8	-69.8	-176.7	-10.1	113.7	V336 T337 D374 R416	V336-R376 HydrophobicContact CG2-CB 4.01Å; T337-R376 PolarHBondContact O-NH2 3.03Å; D374-R376 PolarHBondContact O-N 3.17Å; D374-R376 IonicContact OD1-CZ 3.51Å; D374-R376 IonicContact OD1-NE 3.56Å; D374-R376 PolarHBondContact OD1-NE 3.03Å; D374-R376 IonicContact OD1-NH2 3.5Å; D374-R376 PolarHBondContact OD1-NH2 3.22Å; D374-R376 WeakPolarHBondContact OD2-CB 3.31Å; D374-R376 IonicContact OD2-CZ 3.52Å; D374-R376 IonicContact OD2-NE 3.59Å; D374-R376 PolarHBondContact OD2-NE 3.31Å; D374-R376 IonicContact OD2-NH2 3.59Å; D374-R376 PolarHBondContact OD2-NH2 3.46Å; R376-R416 PolarHBondContact O-NH2 3.05Å
377	L	83	Confident	80.6	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	28%	0.278	C	S	.	.			trans	-84	145.1	177.6	-61.5	174	0	0	0	109.9	V336 L338 I349 I362 L365 A371 L412 I414	V336-L377 HydrophobicContact CB-CD2 4.13Å; V336-L377 HydrophobicContact CG1-CD1 4.35Å; V336-L377 HydrophobicContact CG1-CD2 4.24Å; V336-L377 HydrophobicContact CG1-CG 4.13Å; V336-L377 HydrophobicContact CG2-CD2 3.85Å; V336-L377 HydrophobicContact CG2-CG 4.43Å; L338-L377 HydrophobicContact CD1-CD1 3.98Å; I349-L377 HydrophobicContact CD1-CD1 3.67Å; I349-L377 HydrophobicContact CG1-CD1 4.41Å; I362-L377 HydrophobicContact CD1-CB 4.11Å; I362-L377 HydrophobicContact CD1-CD1 4.42Å; I362-L377 HydrophobicContact CD1-CD2 4.08Å; I362-L377 HydrophobicContact CD1-CG 4.44Å; L365-L377 HydrophobicContact CD1-CB 4.12Å; L365-L377 WeakPolarHBondContact CD1-O 3.43Å; L365-L377 HydrophobicContact CD2-CB 4.38Å; A371-L377 HydrophobicContact CB-CD1 3.86Å; L377-L412 HydrophobicContact CD1-CD1 4.19Å; L377-I414 HydrophobicContact CD2-CD1 3.93Å; L377-I414 HydrophobicContact CD2-CG1 3.59Å
378	C	80.6	Confident	80.9	Confident	51 Å²	51	41.9 Å²	41.9	35%	0.345	27%	0.271	S	S	.	.			trans	-135.6	155.3	178.7	-68.3	0	0	0	0	111.2	N380 D381 R416	C378-N380 PolarHBondContact O-N 3.39Å; C378-D381 PolarHBondContact N-OD2 3.44Å; C378-D381 VanDerWaalsContact O-CB 3.25Å; C378-D381 WeakPolarHBondContact O-CB 3.01Å; C378-D381 VanDerWaalsContact O-CG 3.24Å; C378-D381 PolarHBondContact O-N 3.37Å; C378-R416 PolarHBondContact SG-NH2 3.14Å
379	S	79.1	Confident	81.4	Confident	52 Å²	52	44.5 Å²	44.5	36%	0.364	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	136.7	168.3	-51.1	0	0	0	0	109.6	L363	L363-S379 WeakPolarHBondContact O-CB 3.48Å; L363-S379 PolarHBondContact O-OG 3.15Å
380	N	77.6	Confident	81.4	Confident	77 Å²	77	48.5 Å²	48.5	41%	0.412	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	1.6	-172.7	-55.1	-55.2	0	0	0	117.8	R354 I362 C378	R354-N380 VanDerWaalsContact NH2-CG 3.33Å; R354-N380 PolarHBondContact NH2-O 3.31Å; R354-N380 PolarHBondContact NH2-OD1 3.33Å; I362-N380 WeakPolarHBondContact O-CA 3.14Å; I362-N380 PolarHBondContact O-N 3.48Å; C378-N380 PolarHBondContact O-N 3.39Å
381	D	84.7	Confident	81.6	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	28%	0.279	C	S	.	.			trans	-63	136.3	169.9	-79.2	-7.9	0	0	0	111.4	F361 I362 C378 I414 R416	F361-D381 WeakPolarHBondContact CA-O 3.21Å; I362-D381 HydrophobicContact CB-CB 4.41Å; I362-D381 HydrophobicContact CD1-CB 4Å; I362-D381 HydrophobicContact CG1-CB 4.25Å; I362-D381 PolarHBondContact N-O 3.32Å; C378-D381 PolarHBondContact N-OD2 3.44Å; C378-D381 VanDerWaalsContact O-CB 3.25Å; C378-D381 WeakPolarHBondContact O-CB 3.01Å; C378-D381 VanDerWaalsContact O-CG 3.24Å; C378-D381 PolarHBondContact O-N 3.37Å; D381-I414 HydrophobicContact CB-CG2 3.55Å; D381-R416 IonicContact OD1-CZ 3.3Å; D381-R416 IonicContact OD1-NE 2.77Å; D381-R416 PolarHBondContact OD1-NE 2.84Å; D381-R416 IonicContact OD1-NH2 3.47Å; D381-R416 PolarHBondContact OD1-NH2 3.38Å; D381-R416 IonicContact OD2-CZ 2.81Å; D381-R416 IonicContact OD2-NE 3.37Å; D381-R416 IonicContact OD2-NH2 3.09Å; D381-R416 PolarHBondContact OD2-NH2 3.32Å
382	R	87.9	Confident	81.3	Confident	36 Å²	36	51.8 Å²	51.8	14%	0.136	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.7	175	-172	177.1	-174.9	-171.4	3.3	109.5	E331 P358 F361 L384 K392 I414 S415	E331-R382 IonicContact OE1-NH1 2.63Å; P358-R382 PolarHBondContact O-NH2 3.48Å; F361-R382 HydrophobicContact CD1-CB 3.8Å; F361-R382 HydrophobicContact CD1-CG 3.97Å; F361-R382 HydrophobicContact CE1-CB 3.67Å; F361-R382 HydrophobicContact CE1-CG 3.56Å; F361-R382 HydrophobicContact CZ-CG 3.98Å; R382-L384 HydrophobicContact CG-CD2 4.26Å; R382-L384 PolarHBondContact O-N 2.97Å; R382-K392 PolarHBondContact NH2-O 2.8Å; R382-I414 CarbonylContact O-C 3.41Å; R382-I414 WeakPolarHBondContact O-CA 3.42Å; R382-S415 WeakPolarHBondContact CB-O 3.25Å; R382-S415 PolarHBondContact N-O 2.85Å; R382-S415 PolarHBondContact O-N 3.23Å
383	V	88.2	Confident	81.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	107.5	176.6	-172.6	0	0	0	0	108.7	L351 V360 I362 I386 L391 L412 I414	L351-V383 HydrophobicContact CD2-CG2 3.97Å; V360-V383 HydrophobicContact CB-CB 4.46Å; V360-V383 PolarHBondContact O-N 2.94Å; I362-V383 HydrophobicContact CD1-CG2 4.44Å; I362-V383 HydrophobicContact CG1-CG2 3.95Å; V383-I386 HydrophobicContact CG1-CD1 4.05Å; V383-I386 HydrophobicContact CG1-CG1 3.77Å; V383-L391 HydrophobicContact CG1-CD1 4.06Å; V383-L412 HydrophobicContact CG1-CD2 4.04Å; V383-I414 HydrophobicContact CB-CD1 4.23Å; V383-I414 HydrophobicContact CG1-CD1 4.26Å; V383-I414 HydrophobicContact CG2-CD1 3.83Å
384	L	86.4	Confident	81.2	Confident	12 Å²	12	50.2 Å²	50.2	6%	0.063	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-37.1	178	-60.9	-176.7	0	0	0	112	R382 L391 K392 V413	R382-L384 HydrophobicContact CG-CD2 4.26Å; R382-L384 PolarHBondContact O-N 2.97Å; L384-L391 PolarHBondContact O-N 3.49Å; L384-K392 HydrophobicContact CB-CG 4.38Å; L384-K392 HydrophobicContact CD2-CG 3.92Å; L384-K392 PolarHBondContact O-N 3.48Å; L384-V413 WeakPolarHBondContact CA-O 3.22Å; L384-V413 HydrophobicContact CB-CB 4.36Å; L384-V413 HydrophobicContact CB-CG1 4.16Å; L384-V413 WeakPolarHBondContact CB-O 3.33Å; L384-V413 HydrophobicContact CD1-CG1 4.25Å; L384-V413 PolarHBondContact N-O 2.83Å
385	A	86.9	Confident	81.2	Confident	15 Å²	15	49.7 Å²	49.7	12%	0.124	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	156	177.8	0	0	0	0	0	113	H389 L412 V413	A385-H389 CarbonylContact C-O 3.58Å; A385-H389 WeakPolarHBondContact CA-O 3.18Å; A385-H389 VanDerWaalsContact CB-O 3.23Å; A385-H389 WeakPolarHBondContact CB-O 3.33Å; A385-L412 CarbonylContact O-C 3.59Å; A385-L412 WeakPolarHBondContact O-CA 3.48Å; A385-V413 HydrophobicContact CB-CB 4.08Å; A385-V413 HydrophobicContact CB-CG2 4.13Å; A385-V413 PolarHBondContact N-O 3.34Å; A385-V413 PolarHBondContact O-N 3.5Å
386	I	89.4	Confident	81.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123	171.3	-61.9	173.8	0	0	0	109.4	V383 G388 H389 L391 A399 V402 I403 V410 N411 L412	V383-I386 HydrophobicContact CG1-CD1 4.05Å; V383-I386 HydrophobicContact CG1-CG1 3.77Å; I386-G388 PolarHBondContact O-N 3.48Å; I386-G388 VanDerWaalsContact O-N 3.08Å; I386-H389 PolarHBondContact N-O 3.03Å; I386-H389 VanDerWaalsContact O-CB 3.32Å; I386-H389 WeakPolarHBondContact O-CB 3.37Å; I386-H389 PolarHBondContact O-CD2 3.01Å; I386-H389 PolarHBondContact O-N 3.44Å; I386-L391 HydrophobicContact CB-CD1 4.03Å; I386-L391 HydrophobicContact CD1-CD1 3.44Å; I386-L391 VanDerWaalsContact CD1-CD1 3.44Å; I386-L391 HydrophobicContact CG1-CD1 3.51Å; I386-A399 HydrophobicContact CD1-CB 4.06Å; I386-V402 HydrophobicContact CB-CG1 3.95Å; I386-V402 HydrophobicContact CG2-CG1 3.73Å; I386-I403 HydrophobicContact CD1-CD1 3.69Å; I386-I403 HydrophobicContact CD1-CG1 3.65Å; I386-I403 HydrophobicContact CG2-CG1 4.1Å; I386-V410 HydrophobicContact CG2-CG1 3.62Å; I386-N411 CarbonylContact C-O 3.42Å; I386-N411 VanDerWaalsContact CA-O 3.3Å; I386-N411 WeakPolarHBondContact CA-O 3.15Å; I386-L412 HydrophobicContact CD1-CD2 3.85Å; I386-L412 HydrophobicContact CG1-CD2 3.62Å; I386-L412 HydrophobicContact CG1-CG 4.26Å
387	N	85.6	Confident	82	Confident	61 Å²	61	48.2 Å²	48.2	33%	0.326	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	33.2	-177.6	-80.5	-20.7	0	0	0	113.7	S406 R409 N411	N387-S406 VanDerWaalsContact ND2-CB 3.29Å; N387-S406 WeakPolarHBondContact ND2-CB 3.3Å; N387-S406 PolarHBondContact ND2-OG 3.35Å; N387-R409 PolarHBondContact ND2-O 2.94Å; N387-R409 VanDerWaalsContact ND2-O 3.13Å; N387-N411 PolarHBondContact N-O 3.41Å; N387-N411 WeakPolarHBondContact OD1-CB 3.38Å; N387-N411 PolarHBondContact OD1-N 2.78Å
388	G	73.5	Confident	82	Confident	76 Å²	76	51.7 Å²	51.7	78%	0.784	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-3.8	-177.9	0	0	0	0	0	115.1	I386	I386-G388 PolarHBondContact O-N 3.48Å; I386-G388 VanDerWaalsContact O-N 3.08Å
389	H	81.6	Confident	82.2	Confident	110 Å²	110	49.2 Å²	49.2	51%	0.509	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	122	171.6	-65.7	-83.7	0	0	0	110.8	A385 I386 V402	A385-H389 CarbonylContact C-O 3.58Å; A385-H389 WeakPolarHBondContact CA-O 3.18Å; A385-H389 VanDerWaalsContact CB-O 3.23Å; A385-H389 WeakPolarHBondContact CB-O 3.33Å; I386-H389 PolarHBondContact N-O 3.03Å; I386-H389 VanDerWaalsContact O-CB 3.32Å; I386-H389 WeakPolarHBondContact O-CB 3.37Å; I386-H389 PolarHBondContact O-CD2 3.01Å; I386-H389 PolarHBondContact O-N 3.44Å; H389-V402 HydrophobicContact CB-CG1 4.26Å; H389-V402 HydrophobicContact CB-CG2 4.25Å
390	D	80.8	Confident	82.4	Confident	98 Å²	98	48.6 Å²	48.6	52%	0.524	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.3	179.1	-170.1	4	0	0	0	111.4	K392	D390-K392 VanDerWaalsContact OD1-CB 3.28Å; D390-K392 WeakPolarHBondContact OD1-CB 3.43Å; D390-K392 WeakPolarHBondContact OD1-CD 3.13Å; D390-K392 WeakPolarHBondContact OD1-CG 3.28Å; D390-K392 PolarHBondContact OD1-N 2.82Å
391	L	82.8	Confident	82.7	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.277	C	S	.	.			trans	-123.5	10.3	179.8	-67.6	171.7	0	0	0	112.6	V360 V383 L384 I386 H393 G394 L398 A399	V360-L391 HydrophobicContact CG2-CB 4.38Å; V383-L391 HydrophobicContact CG1-CD1 4.06Å; L384-L391 PolarHBondContact O-N 3.49Å; I386-L391 HydrophobicContact CB-CD1 4.03Å; I386-L391 HydrophobicContact CD1-CD1 3.44Å; I386-L391 VanDerWaalsContact CD1-CD1 3.44Å; I386-L391 HydrophobicContact CG1-CD1 3.51Å; L391-H393 PolarHBondContact O-N 3.25Å; L391-H393 VanDerWaalsContact O-N 3.07Å; L391-G394 PolarHBondContact O-N 2.63Å; L391-L398 HydrophobicContact CD2-CD2 4.12Å; L391-L398 HydrophobicContact CD2-CG 4.16Å; L391-A399 HydrophobicContact CD1-CB 3.66Å; L391-A399 HydrophobicContact CD2-CB 4.13Å
392	K	78	Confident	82.8	Confident	95 Å²	95	51.3 Å²	51.3	41%	0.413	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-34.6	175.8	-74.2	170.4	-174.3	179.7	0	113.5	P358 G359 R382 L384 D390	P358-K392 CarbonylContact C-O 3.5Å; G359-K392 VanDerWaalsContact CA-O 3.24Å; G359-K392 WeakPolarHBondContact CA-O 3.2Å; R382-K392 PolarHBondContact NH2-O 2.8Å; L384-K392 HydrophobicContact CB-CG 4.38Å; L384-K392 HydrophobicContact CD2-CG 3.92Å; L384-K392 PolarHBondContact O-N 3.48Å; D390-K392 VanDerWaalsContact OD1-CB 3.28Å; D390-K392 WeakPolarHBondContact OD1-CB 3.43Å; D390-K392 WeakPolarHBondContact OD1-CD 3.13Å; D390-K392 WeakPolarHBondContact OD1-CG 3.28Å; D390-K392 PolarHBondContact OD1-N 2.82Å
393	H	76.6	Confident	82.7	Confident	137 Å²	137	50.5 Å²	50.5	63%	0.634	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	14.4	174.1	-57	-68	0	0	0	112.8	L391	L391-H393 PolarHBondContact O-N 3.25Å; L391-H393 VanDerWaalsContact O-N 3.07Å
394	G	73.4	Confident	82.4	Confident	9 Å²	9	57.4 Å²	57.4	9%	0.093	31%	0.312	C	S	.	.			trans	-69.8	178	-175.9	0	0	0	0	0	113.6	R353 L391	R353-G394 PolarHBondContact NH2-O 3.2Å; L391-G394 PolarHBondContact O-N 2.63Å
395	T	80.8	Confident	82.1	Confident	42 Å²	42	61.1 Å²	61.1	26%	0.258	34%	0.344	S	S	.	.			trans	-107.9	153.9	170.9	76.6	0	0	0	0	110.6	E397 L398 A399	T395-E397 WeakPolarHBondContact CB-OE2 3.46Å; T395-E397 PolarHBondContact O-N 3.39Å; T395-E397 PolarHBondContact OG1-OE2 3.3Å; T395-L398 PolarHBondContact O-N 3.37Å; T395-L398 PolarHBondContact OG1-N 2.58Å; T395-A399 PolarHBondContact O-N 3.48Å
396	P	81.9	Confident	81.8	Confident	16 Å²	16	61 Å²	61	10%	0.104	34%	0.342	C	S	.	.	H	α-helix	trans	-58	-31.2	174.4	-24.3	35.1	0	0	0	112.8	L351 V352 R353 V360 A399 A400	L351-P396 HydrophobicContact CB-CB 4.17Å; V352-P396 VanDerWaalsContact C-CG 3.48Å; R353-P396 HydrophobicContact CB-CG 3.88Å; R353-P396 VanDerWaalsContact N-CG 3.3Å; V360-P396 HydrophobicContact CG1-CB 4.49Å; V360-P396 HydrophobicContact CG1-CG 4.49Å; P396-A399 PolarHBondContact O-N 2.76Å; P396-A400 WeakPolarHBondContact O-CB 3.37Å; P396-A400 PolarHBondContact O-N 2.83Å
397	E	83.3	Confident	81.2	Confident	118 Å²	118	62.9 Å²	62.9	55%	0.551	36%	0.362	S	S	*	.	H	α-helix	trans	-67.8	-43.1	177.3	-57	72.1	-152.1	0	0	111.2	T395 A400 Q401	T395-E397 WeakPolarHBondContact CB-OE2 3.46Å; T395-E397 PolarHBondContact O-N 3.39Å; T395-E397 PolarHBondContact OG1-OE2 3.3Å; E397-A400 PolarHBondContact O-N 3.16Å; E397-Q401 VanDerWaalsContact O-CG 3.29Å; E397-Q401 WeakPolarHBondContact O-CG 3.32Å; E397-Q401 PolarHBondContact O-N 2.96Å
398	L	83.1	Confident	80.9	Confident	76 Å²	76	66.3 Å²	66.3	40%	0.398	38%	0.376	S	S	.	.	H	α-helix	trans	-63.8	-42.1	174	-179.8	62.8	0	0	0	111	L391 T395 Q401 V402	L391-L398 HydrophobicContact CD2-CD2 4.12Å; L391-L398 HydrophobicContact CD2-CG 4.16Å; T395-L398 PolarHBondContact O-N 3.37Å; T395-L398 PolarHBondContact OG1-N 2.58Å; L398-Q401 PolarHBondContact O-N 2.8Å; L398-V402 HydrophobicContact CD1-CG2 4.49Å; L398-V402 VanDerWaalsContact O-CG2 3.3Å; L398-V402 WeakPolarHBondContact O-CG2 3.24Å; L398-V402 PolarHBondContact O-N 3Å
399	A	84.2	Confident	81.3	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-42.9	176	0	0	0	0	0	112	L351 V360 I386 L391 T395 P396 V402 I403	L351-A399 HydrophobicContact CD1-CB 3.63Å; V360-A399 HydrophobicContact CG1-CB 4.01Å; V360-A399 HydrophobicContact CG2-CB 4.35Å; I386-A399 HydrophobicContact CD1-CB 4.06Å; L391-A399 HydrophobicContact CD1-CB 3.66Å; L391-A399 HydrophobicContact CD2-CB 4.13Å; T395-A399 PolarHBondContact O-N 3.48Å; P396-A399 PolarHBondContact O-N 2.76Å; A399-V402 PolarHBondContact O-N 3.34Å; A399-I403 WeakPolarHBondContact O-CD1 3.4Å; A399-I403 VanDerWaalsContact O-CG1 3.23Å; A399-I403 WeakPolarHBondContact O-CG1 3.45Å; A399-I403 PolarHBondContact O-N 3.3Å
400	A	84	Confident	81.6	Confident	39 Å²	39	65 Å²	65	32%	0.322	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-41.6	175.9	0	0	0	0	0	112.1	P396 E397 I403 Q404	P396-A400 WeakPolarHBondContact O-CB 3.37Å; P396-A400 PolarHBondContact O-N 2.83Å; E397-A400 PolarHBondContact O-N 3.16Å; A400-I403 PolarHBondContact O-N 2.83Å; A400-Q404 WeakPolarHBondContact O-CB 3.46Å; A400-Q404 VanDerWaalsContact O-CG 3.26Å; A400-Q404 WeakPolarHBondContact O-CG 3.48Å; A400-Q404 PolarHBondContact O-N 2.86Å
401	Q	83.6	Confident	81.9	Confident	120 Å²	120	62.2 Å²	62.2	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-61.8	-45.5	174.7	-74.9	172.9	7.4	0	0	111.8	E397 L398 I403 Q404 A405	E397-Q401 VanDerWaalsContact O-CG 3.29Å; E397-Q401 WeakPolarHBondContact O-CG 3.32Å; E397-Q401 PolarHBondContact O-N 2.96Å; L398-Q401 PolarHBondContact O-N 2.8Å; Q401-I403 PolarHBondContact O-N 2.84Å; Q401-Q404 PolarHBondContact O-N 3.45Å; Q401-A405 VanDerWaalsContact O-CB 3.28Å; Q401-A405 WeakPolarHBondContact O-CB 3.26Å; Q401-A405 PolarHBondContact O-N 2.69Å
402	V	87.4	Confident	82.1	Confident	16 Å²	16	62.2 Å²	62.2	10%	0.097	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-42.1	176.8	174.7	0	0	0	0	110.7	I386 H389 L398 A399 Q404 A405 S406	I386-V402 HydrophobicContact CB-CG1 3.95Å; I386-V402 HydrophobicContact CG2-CG1 3.73Å; H389-V402 HydrophobicContact CB-CG1 4.26Å; H389-V402 HydrophobicContact CB-CG2 4.25Å; L398-V402 HydrophobicContact CD1-CG2 4.49Å; L398-V402 VanDerWaalsContact O-CG2 3.3Å; L398-V402 WeakPolarHBondContact O-CG2 3.24Å; L398-V402 PolarHBondContact O-N 3Å; A399-V402 PolarHBondContact O-N 3.34Å; V402-Q404 PolarHBondContact O-N 2.95Å; V402-A405 PolarHBondContact O-N 2.95Å; V402-S406 WeakPolarHBondContact O-CB 3.28Å; V402-S406 PolarHBondContact O-N 3.28Å; V402-S406 PolarHBondContact O-OG 2.81Å
403	I	85.6	Confident	82.5	Confident	20 Å²	20	59.5 Å²	59.5	10%	0.103	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-40.4	175.7	-69.8	163.9	0	0	0	111.7	K340 L347 L351 I386 A399 A400 Q401 S406 V410	K340-I403 PolarHBondContact NZ-O 2.99Å; L347-I403 HydrophobicContact CD1-CB 4.47Å; L347-I403 HydrophobicContact CD1-CD1 4.26Å; L347-I403 HydrophobicContact CD1-CG1 4.15Å; L347-I403 HydrophobicContact CD1-CG2 3.5Å; L347-I403 VanDerWaalsContact CD1-CG2 3.5Å; L347-I403 HydrophobicContact CG-CG2 3.89Å; L351-I403 HydrophobicContact CD1-CD1 3.89Å; I386-I403 HydrophobicContact CD1-CD1 3.69Å; I386-I403 HydrophobicContact CD1-CG1 3.65Å; I386-I403 HydrophobicContact CG2-CG1 4.1Å; A399-I403 WeakPolarHBondContact O-CD1 3.4Å; A399-I403 VanDerWaalsContact O-CG1 3.23Å; A399-I403 WeakPolarHBondContact O-CG1 3.45Å; A399-I403 PolarHBondContact O-N 3.3Å; A400-I403 PolarHBondContact O-N 2.83Å; Q401-I403 PolarHBondContact O-N 2.84Å; I403-S406 WeakPolarHBondContact O-CB 3.13Å; I403-S406 PolarHBondContact O-N 3.19Å; I403-V410 HydrophobicContact CG1-CG1 4.36Å
404	Q	82.4	Confident	83.1	Confident	144 Å²	144	53 Å²	53	67%	0.673	29%	0.289	S	S	*	.	H	α-helix	trans	-73.2	-38.3	-180	-74.2	173.3	-1.4	0	0	112.4	A400 Q401 V402 S406	A400-Q404 WeakPolarHBondContact O-CB 3.46Å; A400-Q404 VanDerWaalsContact O-CG 3.26Å; A400-Q404 WeakPolarHBondContact O-CG 3.48Å; A400-Q404 PolarHBondContact O-N 2.86Å; Q401-Q404 PolarHBondContact O-N 3.45Å; V402-Q404 PolarHBondContact O-N 2.95Å; Q404-S406 PolarHBondContact O-N 3.23Å
405	A	79.9	Confident	83.6	Confident	91 Å²	91	52.8 Å²	52.8	75%	0.752	29%	0.287	S	S	*	.	H	α-helix	trans	-73.3	-14.3	174.7	0	0	0	0	0	113	Q401 V402	Q401-A405 VanDerWaalsContact O-CB 3.28Å; Q401-A405 WeakPolarHBondContact O-CB 3.26Å; Q401-A405 PolarHBondContact O-N 2.69Å; V402-A405 PolarHBondContact O-N 2.95Å
406	S	79.2	Confident	83.5	Confident	12 Å²	12	55.1 Å²	55.1	8%	0.084	29%	0.29	C	S	.	.			trans	-76.8	132.1	174.1	-62	0	0	0	0	110.7	K340 N387 V402 I403 Q404	K340-S406 PolarHBondContact NZ-O 3.49Å; K340-S406 VanDerWaalsContact NZ-O 3.08Å; N387-S406 VanDerWaalsContact ND2-CB 3.29Å; N387-S406 WeakPolarHBondContact ND2-CB 3.3Å; N387-S406 PolarHBondContact ND2-OG 3.35Å; V402-S406 WeakPolarHBondContact O-CB 3.28Å; V402-S406 PolarHBondContact O-N 3.28Å; V402-S406 PolarHBondContact O-OG 2.81Å; I403-S406 WeakPolarHBondContact O-CB 3.13Å; I403-S406 PolarHBondContact O-N 3.19Å; Q404-S406 PolarHBondContact O-N 3.23Å
407	G	78	Confident	82.2	Confident	40 Å²	40	58.3 Å²	58.3	41%	0.412	31%	0.311	S	S	.	.			trans	-68.8	-143.4	176.1	0	0	0	0	0	113	R409	G407-R409 PolarHBondContact O-N 2.56Å
408	E	79.6	Confident	80.3	Confident	132 Å²	132	58.2 Å²	58.2	62%	0.617	32%	0.318	S	S	*	.	S	Bend	trans	-65.5	-9.6	-175.1	-64.9	174.3	-175.1	0	0	114.3	H339 K340	H339-E408 CarbonylContact C-O 3.48Å; H339-E408 VanDerWaalsContact CA-O 3.26Å; H339-E408 WeakPolarHBondContact CA-O 3.32Å; K340-E408 PolarHBondContact N-O 3.37Å
409	R	81.2	Confident	78.1	Confident	159 Å²	159	62.3 Å²	62.3	60%	0.6	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	127.1	-178.6	-171.2	178.2	-73.1	165.3	0.7	111.8	T337 H339 N387 G407	T337-R409 HydrophobicContact CG2-CG 3.51Å; H339-R409 PolarHBondContact CE1-NE 3.12Å; H339-R409 VanDerWaalsContact CE1-NE 3.35Å; N387-R409 PolarHBondContact ND2-O 2.94Å; N387-R409 VanDerWaalsContact ND2-O 3.13Å; G407-R409 PolarHBondContact O-N 2.56Å
410	V	88.4	Confident	75.5	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.6	174.9	-171.1	0	0	0	0	110.2	T337 L338 L347 I386 I403 L412	T337-V410 CarbonylContact C-O 3.56Å; T337-V410 WeakPolarHBondContact CA-O 2.87Å; L338-V410 PolarHBondContact N-O 3.04Å; L338-V410 PolarHBondContact O-N 3.48Å; L347-V410 HydrophobicContact CD1-CB 4.04Å; L347-V410 HydrophobicContact CD1-CG1 3.88Å; L347-V410 HydrophobicContact CD1-CG2 4.1Å; L347-V410 HydrophobicContact CD2-CB 4.49Å; L347-V410 HydrophobicContact CD2-CG2 4.21Å; I386-V410 HydrophobicContact CG2-CG1 3.62Å; I403-V410 HydrophobicContact CG1-CG1 4.36Å; V410-L412 HydrophobicContact CG1-CD1 4.41Å; V410-L412 HydrophobicContact CG1-CG 4.44Å
411	N	85.5	Confident	72.9	Confident	39 Å²	39	74.3 Å²	74.3	21%	0.209	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.9	-176.9	-171.1	-15.2	0	0	0	110.6	Q335 V336 I386 N387	Q335-N411 VanDerWaalsContact CD-OD1 3.23Å; Q335-N411 WeakPolarHBondContact CG-OD1 3.31Å; Q335-N411 PolarHBondContact NE2-ND2 3.09Å; Q335-N411 PolarHBondContact NE2-OD1 3.41Å; V336-N411 CarbonylContact O-C 3.57Å; I386-N411 CarbonylContact C-O 3.42Å; I386-N411 VanDerWaalsContact CA-O 3.3Å; I386-N411 WeakPolarHBondContact CA-O 3.15Å; N387-N411 PolarHBondContact N-O 3.41Å; N387-N411 WeakPolarHBondContact OD1-CB 3.38Å; N387-N411 PolarHBondContact OD1-N 2.78Å
412	L	88.8	Confident	70.1	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.005	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.1	-177.9	-66.6	128.4	0	0	0	110.3	Q335 V336 L338 I349 L377 V383 A385 I386 V410 I414	Q335-L412 CarbonylContact C-O 3.55Å; Q335-L412 WeakPolarHBondContact CA-O 3.34Å; V336-L412 HydrophobicContact CB-CB 4.5Å; V336-L412 PolarHBondContact N-O 3.29Å; V336-L412 PolarHBondContact O-N 2.97Å; L338-L412 HydrophobicContact CD1-CD1 3.93Å; L338-L412 HydrophobicContact CG-CD1 4.24Å; I349-L412 HydrophobicContact CD1-CD1 4.32Å; L377-L412 HydrophobicContact CD1-CD1 4.19Å; V383-L412 HydrophobicContact CG1-CD2 4.04Å; A385-L412 CarbonylContact O-C 3.59Å; A385-L412 WeakPolarHBondContact O-CA 3.48Å; I386-L412 HydrophobicContact CD1-CD2 3.85Å; I386-L412 HydrophobicContact CG1-CD2 3.62Å; I386-L412 HydrophobicContact CG1-CG 4.26Å; V410-L412 HydrophobicContact CG1-CD1 4.41Å; V410-L412 HydrophobicContact CG1-CG 4.44Å; L412-I414 HydrophobicContact CB-CD1 4.05Å; L412-I414 HydrophobicContact CB-CG1 4.27Å; L412-I414 HydrophobicContact CD2-CD1 4.46Å
413	V	86.5	Confident	67.2	Low	39 Å²	39	82.4 Å²	82.4	24%	0.236	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.2	167	-176	0	0	0	0	107.6	Q335 L384 A385	Q335-V413 HydrophobicContact CG-CG2 4.46Å; L384-V413 WeakPolarHBondContact CA-O 3.22Å; L384-V413 HydrophobicContact CB-CB 4.36Å; L384-V413 HydrophobicContact CB-CG1 4.16Å; L384-V413 WeakPolarHBondContact CB-O 3.33Å; L384-V413 HydrophobicContact CD1-CG1 4.25Å; L384-V413 PolarHBondContact N-O 2.83Å; A385-V413 HydrophobicContact CB-CB 4.08Å; A385-V413 HydrophobicContact CB-CG2 4.13Å; A385-V413 PolarHBondContact N-O 3.34Å; A385-V413 PolarHBondContact O-N 3.5Å
414	I	88.8	Confident	64.3	Low	0 Å²	0	87 Å²	87	0%	0	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135	-171.4	-58.2	-59.3	0	0	0	109.7	S333 F334 L377 D381 R382 V383 L412	S333-I414 CarbonylContact C-O 3.57Å; S333-I414 WeakPolarHBondContact CA-O 3.4Å; F334-I414 HydrophobicContact CE1-CB 4.13Å; F334-I414 HydrophobicContact CE1-CG2 3.89Å; F334-I414 HydrophobicContact CE2-CB 4.32Å; F334-I414 HydrophobicContact CZ-CB 4Å; F334-I414 HydrophobicContact CZ-CG2 3.82Å; F334-I414 PolarHBondContact N-O 3.2Å; F334-I414 PolarHBondContact O-N 3.11Å; L377-I414 HydrophobicContact CD2-CD1 3.93Å; L377-I414 HydrophobicContact CD2-CG1 3.59Å; D381-I414 HydrophobicContact CB-CG2 3.55Å; R382-I414 CarbonylContact O-C 3.41Å; R382-I414 WeakPolarHBondContact O-CA 3.42Å; V383-I414 HydrophobicContact CB-CD1 4.23Å; V383-I414 HydrophobicContact CG1-CD1 4.26Å; V383-I414 HydrophobicContact CG2-CD1 3.83Å; L412-I414 HydrophobicContact CB-CD1 4.05Å; L412-I414 HydrophobicContact CB-CG1 4.27Å; L412-I414 HydrophobicContact CD2-CD1 4.46Å
415	S	84.3	Confident	61.7	Low	5 Å²	5	87.2 Å²	87.2	4%	0.035	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.1	166.8	176.6	0	0	0	0	108	E331 R382	E331-S415 PolarHBondContact OE2-OG 3.47Å; R382-S415 WeakPolarHBondContact CB-O 3.25Å; R382-S415 PolarHBondContact N-O 2.85Å; R382-S415 PolarHBondContact O-N 3.23Å
416	R	78.2	Confident	59.5	Low	90 Å²	90	90.3 Å²	90.3	34%	0.34	48%	0.483	S	S	.	.			trans	-106.4	115.9	175.9	-177.6	174.8	-68.8	163.9	6.1	107.7	F334 R376 C378 D381 V418	F334-R416 HydrophobicContact CE1-CB 4.01Å; R376-R416 PolarHBondContact O-NH2 3.05Å; C378-R416 PolarHBondContact SG-NH2 3.14Å; D381-R416 IonicContact OD1-CZ 3.3Å; D381-R416 IonicContact OD1-NE 2.77Å; D381-R416 PolarHBondContact OD1-NE 2.84Å; D381-R416 IonicContact OD1-NH2 3.47Å; D381-R416 PolarHBondContact OD1-NH2 3.38Å; D381-R416 IonicContact OD2-CZ 2.81Å; D381-R416 IonicContact OD2-NE 3.37Å; D381-R416 IonicContact OD2-NH2 3.09Å; D381-R416 PolarHBondContact OD2-NH2 3.32Å; R416-V418 PolarHBondContact O-N 3.13Å
417	P	54.7	Low	57.1	Low	83 Å²	83	100.5 Å²	100.5	54%	0.539	52%	0.52	S	S	.	.			trans	-63	122.5	169.7	25.2	-30.1	0	0	0	107.6	K419	P417-K419 VanDerWaalsContact C-N 3.35Å; P417-K419 PolarHBondContact O-N 3.29Å
418	V	42.6	Very low	54.6	Low	116 Å²	116	104.3 Å²	104.3	70%	0.703	53%	0.531	S	S	*	.			trans	-64.7	96.8	178.9	-177.4	0	0	0	0	108.2	R416 S420	R416-V418 PolarHBondContact O-N 3.13Å; V418-S420 PolarHBondContact O-N 3.27Å
419	K	38.1	Very low	51.9	Low	163 Å²	163	104.8 Å²	104.8	71%	0.709	54%	0.543	S	S	*	.			trans	-72	114.3	152.8	-79.2	-176.9	177	180	0	105.6	P417 Q421	P417-K419 VanDerWaalsContact C-N 3.35Å; P417-K419 PolarHBondContact O-N 3.29Å; K419-Q421 PolarHBondContact O-N 2.99Å
420	S	29.3	Very low	49.2	Very low	121 Å²	121	100.5 Å²	100.5	85%	0.846	55%	0.548	S	S	*	.			trans	-55.4	107.8	165	-175.8	0	0	0	0	107.6	V418	V418-S420 PolarHBondContact O-N 3.27Å
421	Q	28.6	Very low	46.2	Very low	170 Å²	170	106.5 Å²	106.5	79%	0.794	59%	0.585	S	S	*	*			trans	-128.8	111.9	173.5	-115.2	-179.4	-12.7	0	0	108.8	K419	K419-Q421 PolarHBondContact O-N 2.99Å
422	M	24.6	Very low	43.5	Very low	184 Å²	184	112.4 Å²	112.4	91%	0.906	61%	0.611	S	S	*	*			trans	-25.7	126.7	157.6	-157.4	175	177.8	0	0	113.3	S424	M422-S424 PolarHBondContact O-N 2.97Å
423	V	27.1	Very low	40.4	Very low	121 Å²	121	119.1 Å²	119.1	73%	0.733	65%	0.647	S	S	*	*			trans	-63.7	121.5	177.8	177.5	0	0	0	0	110.4	I425	V423-I425 HydrophobicContact CG1-CD1 3.97Å; V423-I425 HydrophobicContact CG1-CG1 3.77Å
424	S	24	Very low	37.6	Very low	116 Å²	116	123.1 Å²	123.1	81%	0.811	68%	0.677	S	S	*	*			trans	-108.6	112.1	158.9	-76.6	0	0	0	0	108.6	M422	M422-S424 PolarHBondContact O-N 2.97Å
425	I	28.6	Very low	34.7	Very low	149 Å²	149	130.7 Å²	130.7	76%	0.764	72%	0.717	S	S	*	*			trans	-104.1	118.8	164.5	-64.5	166.3	0	0	0	106.4	V423	V423-I425 HydrophobicContact CG1-CD1 3.97Å; V423-I425 HydrophobicContact CG1-CG1 3.77Å
426	I	32.6	Very low	32.6	Very low	156 Å²	156	134.8 Å²	134.8	80%	0.8	74%	0.744	S	S	*	*			trans	-129.6	125.6	160.8	-58.2	178	0	0	0	108.5
427	R	29.5	Very low	30.1	Very low	226 Å²	226	138.4 Å²	138.4	85%	0.853	76%	0.764	S	S	*	*			trans	-163.5	136.9	152.6	-111.5	-169.1	158.6	-179.6	-2.1	105.5
428	D	24.9	Very low	29	Very low	121 Å²	121	142.4 Å²	142.4	65%	0.647	78%	0.775	S	S	*	*			cis	-174.8	162	-11.4	-131.2	-22.1	0	0	0	105.4
429	T	24.4	Very low	28.2	Very low	141 Å²	141	146 Å²	146	87%	0.865	78%	0.784	S	S	*	*			trans	81.2	126.1	161.4	67.4	0	0	0	0	122.2
430	G	23.8	Very low	27.6	Very low	69 Å²	69	147.3 Å²	147.3	71%	0.711	79%	0.793	S	S	*	*			trans	125.4	78.5	133.4	0	0	0	0	0	120.6
431	T	25.8	Very low	27.4	Very low	127 Å²	127	148 Å²	148	78%	0.779	79%	0.792	S	S	*	*			trans	33.8	131.4	134.6	30.1	0	0	0	0	124.8
432	H	27.8	Very low	27.4	Very low	163 Å²	163	148.7 Å²	148.7	76%	0.755	80%	0.795	S	S	*	*			trans	97.6	118.3	141.3	-73.9	-60.7	0	0	0	123.5
433	N	25.1	Very low	27.5	Very low	142 Å²	142	146.7 Å²	146.7	76%	0.759	78%	0.784	S	S	*	*			trans	50.4	111	141.9	-74.9	3.8	0	0	0	121.2
434	S	26.6	Very low	27.4	Very low	123 Å²	123	148.6 Å²	148.6	86%	0.86	79%	0.789	S	S	*	*				166.6	136.4	96.7	35.5	0	0	0	0	111.5
435	N	27.5	Very low	27.4	Very low	159 Å²	159	149.2 Å²	149.2	85%	0.85	78%	0.777	S	S	*	*			trans	-83.6	171.9	174.5	-113.8	2.9	0	0	0	110.5
436	P	41.4	Very low	27.3	Very low	91 Å²	91	150.7 Å²	150.7	59%	0.591	78%	0.781	S	S	*	*			cis	-131.4	160.4	-5.8	36.1	-18.5	0	0	0	113.5
437	H	25.6	Very low	26.8	Very low	166 Å²	166	148.5 Å²	148.5	77%	0.769	78%	0.779	S	S	*	*			trans	157.8	124.5	140.5	-85.6	-64.3	0	0	0	111.3
438	Q	30.6	Very low	26.7	Very low	166 Å²	166	147.4 Å²	147.4	78%	0.776	78%	0.775	S	S	*	*			trans	30.6	107.8	151.9	-67.6	176	-16.6	0	0	117.9
439	H	26.4	Very low	26.7	Very low	193 Å²	193	147.7 Å²	147.7	89%	0.894	78%	0.783	S	S	*	*				-167.8	98.3	121.4	-96	-65.6	0	0	0	108.5
440	Q	26.4	Very low	27.1	Very low	189 Å²	189	147.9 Å²	147.9	88%	0.883	78%	0.779	S	S	*	*			trans	-79	122.7	174.4	-147.9	169.9	15.3	0	0	107.7	Q442	Q440-Q442 PolarHBondContact O-N 3.49Å; Q440-Q442 VanDerWaalsContact O-N 3.14Å
441	T	24.3	Very low	27.6	Very low	136 Å²	136	148.8 Å²	148.8	83%	0.834	78%	0.775	S	S	*	*			trans	-58	108.7	-179	-39.7	0	0	0	0	110.6	Q443	T441-Q443 PolarHBondContact O-N 2.97Å
442	Q	27.7	Very low	28.5	Very low	184 Å²	184	146.1 Å²	146.1	86%	0.86	75%	0.753	S	S	*	*			trans	-77.6	104.1	175.6	-78.8	-179.3	-15	0	0	110.1	Q440	Q440-Q442 PolarHBondContact O-N 3.49Å; Q440-Q442 VanDerWaalsContact O-N 3.14Å
443	Q	27.6	Very low	29.5	Very low	143 Å²	143	141.4 Å²	141.4	67%	0.668	73%	0.731	S	S	*	*			trans	-63.4	125.6	157.4	-63.7	-177.7	-12.8	0	0	108.2	T441 F445	T441-Q443 PolarHBondContact O-N 2.97Å; Q443-F445 VanDerWaalsContact C-N 3.34Å; Q443-F445 HydrophobicContact CB-CD2 4.43Å; Q443-F445 HydrophobicContact CB-CE2 3.95Å; Q443-F445 HydrophobicContact CB-CZ 4.44Å; Q443-F445 WeakPolarHBondContact O-CD2 3.33Å; Q443-F445 PolarHBondContact O-N 3.24Å
444	L	25	Very low	30.9	Very low	161 Å²	161	138.1 Å²	138.1	84%	0.843	71%	0.713	S	S	*	*			trans	-79	86.7	177.3	-84.9	157.3	0	0	0	110.1
445	F	24.7	Very low	32.4	Very low	128 Å²	128	133 Å²	133	56%	0.561	68%	0.676	S	S	*	*			trans	-57.1	126.5	157.3	-62.5	-86.3	0	0	0	109.6	Q443 S447	Q443-F445 VanDerWaalsContact C-N 3.34Å; Q443-F445 HydrophobicContact CB-CD2 4.43Å; Q443-F445 HydrophobicContact CB-CE2 3.95Å; Q443-F445 HydrophobicContact CB-CZ 4.44Å; Q443-F445 WeakPolarHBondContact O-CD2 3.33Å; Q443-F445 PolarHBondContact O-N 3.24Å; F445-S447 PolarHBondContact O-N 2.95Å
446	H	26.5	Very low	33.8	Very low	181 Å²	181	128.7 Å²	128.7	84%	0.838	66%	0.658	S	S	*	*			trans	-85.6	96.7	155.4	-82.3	60.4	0	0	0	107.6	R448	H446-R448 PolarHBondContact O-N 3.28Å
447	S	21.6	Very low	34.7	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	66%	0.655	S	S	*	*			trans	-55.9	104	167.4	-55.4	0	0	0	0	109.5	F445	F445-S447 PolarHBondContact O-N 2.95Å
448	R	26.5	Very low	36.6	Very low	203 Å²	203	122.4 Å²	122.4	77%	0.766	62%	0.623	S	S	*	*			trans	-61.7	141.7	156.6	-83.4	176	168.2	177.6	-4.4	108	H446 N450	H446-R448 PolarHBondContact O-N 3.28Å; R448-N450 PolarHBondContact O-N 3.14Å; R448-N450 VanDerWaalsContact O-N 3.09Å
449	P	24.4	Very low	38.9	Very low	126 Å²	126	114.8 Å²	114.8	82%	0.818	59%	0.588	S	S	*	*			trans	-54.8	121.7	163	-18.1	29.9	0	0	0	108.2	S451	P449-S451 PolarHBondContact O-N 3.44Å
450	N	33.3	Very low	41.6	Very low	145 Å²	145	109 Å²	109	78%	0.775	57%	0.566	S	S	*	*			trans	-77.9	107.3	-175.1	-161.3	24.4	0	0	0	108.5	R448	R448-N450 PolarHBondContact O-N 3.14Å; R448-N450 VanDerWaalsContact O-N 3.09Å
451	S	34.3	Very low	44.5	Very low	89 Å²	89	102.6 Å²	102.6	62%	0.622	54%	0.541	S	S	*	.			trans	-139.9	15.3	163.9	72	0	0	0	0	114	P449 K453	P449-S451 PolarHBondContact O-N 3.44Å; S451-K453 PolarHBondContact O-N 2.82Å
452	H	45	Very low	47.6	Very low	71 Å²	71	102 Å²	102	33%	0.329	53%	0.529	S	S	.	.			trans	-77.6	82.3	170.6	-79.1	-70.1	0	0	0	109.3
453	K	48	Very low	50.7	Low	64 Å²	64	98.1 Å²	98.1	28%	0.278	51%	0.511	S	S	.	.			trans	-52.4	148.2	166.5	-65.6	-177.6	178.9	-175.2	0	109.4	S451 L455 Q457 E557	S451-K453 PolarHBondContact O-N 2.82Å; K453-L455 PolarHBondContact O-N 3.4Å; K453-Q457 HydrophobicContact CB-CB 4.25Å; K453-E557 WeakPolarHBondContact CE-OE1 3.39Å; K453-E557 VanDerWaalsContact NZ-CG 3.28Å; K453-E557 IonicContact NZ-OE1 3.78Å; K453-E557 PolarHBondContact NZ-OE1 3.3Å; K453-E557 IonicContact NZ-OE2 3.58Å
454	D	55.6	Low	53.8	Low	72 Å²	72	92.5 Å²	92.5	39%	0.385	48%	0.484	S	S	.	.			trans	-55.7	136.9	165.4	-176.2	3.2	0	0	0	107.9	S456 Q457	D454-S456 PolarHBondContact O-N 3.39Å; D454-S456 VanDerWaalsContact O-N 3.08Å; D454-S456 PolarHBondContact OD1-N 2.87Å; D454-S456 PolarHBondContact OD2-OG 3.04Å; D454-Q457 HydrophobicContact CB-CG 4.05Å; D454-Q457 WeakPolarHBondContact O-CA 3.34Å; D454-Q457 VanDerWaalsContact O-CB 3.3Å; D454-Q457 WeakPolarHBondContact O-CB 3.42Å; D454-Q457 PolarHBondContact O-N 3.36Å
455	L	58.5	Low	57.2	Low	17 Å²	17	90.1 Å²	90.1	9%	0.089	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-55	-30.3	179.3	-76.1	164.7	0	0	0	110.9	P251 K453 Q457 C458 L586 P624 F626	P251-L455 HydrophobicContact CG-CD1 4.19Å; K453-L455 PolarHBondContact O-N 3.4Å; L455-Q457 PolarHBondContact O-N 3.21Å; L455-C458 WeakPolarHBondContact O-CB 3.34Å; L455-C458 PolarHBondContact O-N 2.86Å; L455-C458 VanDerWaalsContact O-N 3.15Å; L455-L586 HydrophobicContact CD1-CD1 4.24Å; L455-L586 HydrophobicContact CD2-CB 4.49Å; L455-L586 HydrophobicContact CD2-CD1 3.62Å; L455-P624 HydrophobicContact CD1-CG 3.86Å; L455-F626 HydrophobicContact CD1-CE2 4.15Å; L455-F626 HydrophobicContact CD1-CZ 4Å
456	S	56.2	Low	60.5	Low	68 Å²	68	84.1 Å²	84.1	48%	0.476	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-63.1	-19.3	173.2	75.8	0	0	0	0	114.5	D454 V459	D454-S456 PolarHBondContact O-N 3.39Å; D454-S456 VanDerWaalsContact O-N 3.08Å; D454-S456 PolarHBondContact OD1-N 2.87Å; D454-S456 PolarHBondContact OD2-OG 3.04Å; S456-V459 VanDerWaalsContact O-O 3.06Å
457	Q	60.9	Low	63.8	Low	110 Å²	110	79.5 Å²	79.5	51%	0.514	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-93.9	-8.4	177.9	-62.4	171.1	5.9	0	0	112.7	K453 D454 L455 V459	K453-Q457 HydrophobicContact CB-CB 4.25Å; D454-Q457 HydrophobicContact CB-CG 4.05Å; D454-Q457 WeakPolarHBondContact O-CA 3.34Å; D454-Q457 VanDerWaalsContact O-CB 3.3Å; D454-Q457 WeakPolarHBondContact O-CB 3.42Å; D454-Q457 PolarHBondContact O-N 3.36Å; L455-Q457 PolarHBondContact O-N 3.21Å; Q457-V459 VanDerWaalsContact C-N 3.28Å
458	C	66	Low	67.2	Low	14 Å²	14	74.7 Å²	74.7	10%	0.095	39%	0.393	C	S	.	.	S	Bend	trans	-79.1	-15.1	176.4	-62.6	0	0	0	0	112.1	L455 V554 V555 V583	L455-C458 WeakPolarHBondContact O-CB 3.34Å; L455-C458 PolarHBondContact O-N 2.86Å; L455-C458 VanDerWaalsContact O-N 3.15Å; C458-V554 WeakPolarHBondContact O-CA 3.27Å; C458-V555 PolarHBondContact O-N 3.41Å; C458-V583 HydrophobicContact CB-CG1 4.01Å
459	V	77.1	Confident	70.3	Confident	7 Å²	7	73.5 Å²	73.5	4%	0.042	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	156.8	173.4	-51.2	0	0	0	0	111.5	S456 Q457 V552 Q553 V554 G587	S456-V459 VanDerWaalsContact O-O 3.06Å; Q457-V459 VanDerWaalsContact C-N 3.28Å; V459-V552 HydrophobicContact CB-CG1 4Å; V459-V552 HydrophobicContact CG1-CG1 4.24Å; V459-V552 HydrophobicContact CG2-CG1 4.16Å; V459-Q553 CarbonylContact C-O 3.58Å; V459-Q553 WeakPolarHBondContact CA-O 3.3Å; V459-Q553 WeakPolarHBondContact CB-O 3.49Å; V459-V554 HydrophobicContact CG1-CG2 4.29Å; V459-G587 WeakPolarHBondContact CG2-O 3.36Å
460	T	83.8	Confident	73.4	Confident	71 Å²	71	68 Å²	68	44%	0.436	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.6	163.3	60.5	0	0	0	0	109.2	V552 Q553 V555	T460-V552 WeakPolarHBondContact O-CA 3.47Å; T460-Q553 PolarHBondContact N-O 3.02Å; T460-Q553 PolarHBondContact O-N 3.38Å; T460-V555 HydrophobicContact CG2-CG2 3.87Å
461	C	87.3	Confident	75.9	Confident	54 Å²	54	67.6 Å²	67.6	37%	0.365	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.9	178.8	-70.2	0	0	0	0	109.6	L550 E551	C461-L550 HydrophobicContact CB-CD1 4.06Å; C461-L550 HydrophobicContact CB-CD2 4.25Å; C461-L550 HydrophobicContact CB-CG 4.27Å; C461-E551 CarbonylContact C-O 3.6Å; C461-E551 VanDerWaalsContact CA-O 3.31Å; C461-E551 WeakPolarHBondContact CA-O 3.21Å
462	Q	89.5	Confident	78	Confident	125 Å²	125	66.7 Å²	66.7	58%	0.584	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.4	177.4	-174.7	176	5.6	0	0	110.9	E551	Q462-E551 PolarHBondContact N-O 3.43Å; Q462-E551 PolarHBondContact O-N 2.76Å
463	E	92.9	Very high	79.7	Confident	102 Å²	102	71.1 Å²	71.1	48%	0.477	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131.7	175.1	-168.6	177.5	141.9	0	0	110.6	H465 L517 A549 L550	E463-H465 IonicContact OE1-CD2 3.41Å; E463-H465 IonicContact OE1-CE1 3.14Å; E463-H465 IonicContact OE1-NE2 2.89Å; E463-H465 PolarHBondContact OE1-NE2 2.65Å; E463-L517 HydrophobicContact CG-CD1 4.31Å; E463-A549 CarbonylContact C-O 3.51Å; E463-A549 WeakPolarHBondContact CA-O 3.44Å; E463-L550 HydrophobicContact CB-CD1 4.31Å
464	K	93.6	Very high	81.5	Confident	25 Å²	25	70.3 Å²	70.3	11%	0.109	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.7	179.1	-64.6	173.3	173.3	167.7	0	109.9	I466 R509 D514 K548 A549 E551	K464-I466 HydrophobicContact CB-CD1 3.8Å; K464-I466 HydrophobicContact CB-CG1 4.15Å; K464-I466 HydrophobicContact CD-CD1 4.08Å; K464-R509 WeakPolarHBondContact CE-O 3.32Å; K464-R509 PolarHBondContact NZ-O 3.42Å; K464-D514 IonicContact NZ-OD1 3.23Å; K464-D514 PolarHBondContact NZ-OD1 3.04Å; K464-D514 VanDerWaalsContact NZ-OD1 3.14Å; K464-D514 IonicContact NZ-OD2 3.72Å; K464-D514 PolarHBondContact NZ-OD2 2.72Å; K464-K548 VanDerWaalsContact O-CA 3.31Å; K464-K548 WeakPolarHBondContact O-CA 3.33Å; K464-A549 PolarHBondContact N-O 3.03Å; K464-A549 PolarHBondContact O-N 2.93Å; K464-E551 HydrophobicContact CD-CB 4.2Å; K464-E551 VanDerWaalsContact CE-CB 3.44Å; K464-E551 WeakPolarHBondContact CE-OE2 3.49Å; K464-E551 VanDerWaalsContact NZ-CD 3.27Å; K464-E551 IonicContact NZ-OE1 3.48Å; K464-E551 IonicContact NZ-OE2 3.47Å; K464-E551 PolarHBondContact NZ-OE2 3.08Å
465	H	95.1	Very high	83.1	Confident	110 Å²	110	70 Å²	70	51%	0.509	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.4	170.9	-70.9	-130.3	0	0	0	108.3	E463 K548	E463-H465 IonicContact OE1-CD2 3.41Å; E463-H465 IonicContact OE1-CE1 3.14Å; E463-H465 IonicContact OE1-NE2 2.89Å; E463-H465 PolarHBondContact OE1-NE2 2.65Å; H465-K548 WeakPolarHBondContact CE1-CE 3.46Å
466	I	94.8	Very high	84.6	Confident	2 Å²	2	70 Å²	70	1%	0.01	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	110	-166.7	-68.8	164.3	0	0	0	108.8	K464 V468 R509 I510 A546 L547	K464-I466 HydrophobicContact CB-CD1 3.8Å; K464-I466 HydrophobicContact CB-CG1 4.15Å; K464-I466 HydrophobicContact CD-CD1 4.08Å; I466-V468 HydrophobicContact CG2-CG2 3.47Å; I466-V468 VanDerWaalsContact CG2-CG2 3.47Å; I466-R509 HydrophobicContact CD1-CB 3.69Å; I466-R509 HydrophobicContact CG1-CB 3.96Å; I466-I510 HydrophobicContact CD1-CD1 3.34Å; I466-I510 HydrophobicContact CD1-CG1 3.71Å; I466-A546 CarbonylContact O-C 3.53Å; I466-A546 WeakPolarHBondContact O-CA 3.37Å; I466-L547 HydrophobicContact CB-CB 4.28Å; I466-L547 PolarHBondContact N-O 3.43Å; I466-L547 PolarHBondContact O-N 3.18Å
467	T	94.6	Very high	86.2	Confident	85 Å²	85	66.8 Å²	66.8	52%	0.521	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.1	169.9	-55.3	0	0	0	0	108.6	R509 V544 V545	T467-R509 PolarHBondContact O-NH2 2.75Å; T467-V544 HydrophobicContact CG2-CG1 3.52Å; T467-V545 CarbonylContact C-O 3.59Å; T467-V545 WeakPolarHBondContact CA-O 3.17Å
468	V	92.9	Very high	87.6	Confident	9 Å²	9	62.9 Å²	62.9	6%	0.055	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.2	-178.3	-171.2	0	0	0	0	109.9	I466 C503 L504 D507 V544 V545	I466-V468 HydrophobicContact CG2-CG2 3.47Å; I466-V468 VanDerWaalsContact CG2-CG2 3.47Å; V468-C503 WeakPolarHBondContact CG1-SG 3.41Å; V468-L504 HydrophobicContact CG2-CD2 3.91Å; V468-D507 HydrophobicContact CG1-CB 4.3Å; V468-D507 HydrophobicContact CG2-CB 4.13Å; V468-V544 WeakPolarHBondContact O-CA 3.34Å; V468-V545 PolarHBondContact N-O 2.87Å; V468-V545 PolarHBondContact O-N 3.23Å
469	K	91.6	Very high	88.8	Confident	177 Å²	177	64.8 Å²	64.8	77%	0.77	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	135	172.7	-62.8	-175.1	-180	178.5	0	109	S543 V544	K469-S543 WeakPolarHBondContact CA-O 3.28Å; K469-V544 HydrophobicContact CG-CG2 4.36Å
470	K	90	Very high	89.5	Confident	10 Å²	10	65.4 Å²	65.4	4%	0.043	34%	0.339	C	S	.	.			trans	-143.7	161.7	-178.1	69.4	175.8	-161.1	67.3	0	110.5	E474 L476 C503 A540 S542 S543 V545	K470-E474 HydrophobicContact CB-CB 4.43Å; K470-E474 WeakPolarHBondContact CB-OE2 3.37Å; K470-E474 WeakPolarHBondContact CD-O 3.42Å; K470-E474 VanDerWaalsContact CE-O 3.29Å; K470-E474 WeakPolarHBondContact CE-O 3.4Å; K470-E474 PolarHBondContact NZ-O 3.46Å; K470-L476 HydrophobicContact CD-CD2 4.17Å; K470-C503 HydrophobicContact CB-CB 4.48Å; K470-C503 VanDerWaalsContact CB-SG 3.6Å; K470-A540 PolarHBondContact NZ-O 3.28Å; K470-S542 WeakPolarHBondContact CE-O 3.47Å; K470-S542 PolarHBondContact NZ-O 3.5Å; K470-S542 VanDerWaalsContact NZ-O 3.1Å; K470-S543 PolarHBondContact N-O 3.36Å; K470-S543 WeakPolarHBondContact O-CA 3.5Å; K470-V545 HydrophobicContact CD-CG2 4.21Å
471	E	85.9	Confident	89.8	Confident	138 Å²	138	63.3 Å²	63.3	65%	0.645	33%	0.328	S	S	*	.			trans	-68.4	147.7	172.5	-66.4	-58	140.7	0	0	110.6	H473 E474	E471-H473 PolarHBondContact O-N 3.5Å; E471-E474 HydrophobicContact CB-CB 4.08Å; E471-E474 PolarHBondContact N-OE2 3.01Å; E471-E474 VanDerWaalsContact N-OE2 3.16Å; E471-E474 VanDerWaalsContact O-CB 3.31Å; E471-E474 WeakPolarHBondContact O-CB 3.26Å; E471-E474 PolarHBondContact O-N 3.19Å
472	P	78.1	Confident	89.8	Confident	69 Å²	69	60.9 Å²	60.9	45%	0.448	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	132.4	167.9	-22.1	33.2	0	0	0	109.2	E474	P472-E474 PolarHBondContact O-N 2.99Å
473	H	80.4	Confident	89.7	Confident	165 Å²	165	55 Å²	55	76%	0.764	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-5.8	-175.5	-41.7	-71.2	0	0	0	116.8	E471 A540	E471-H473 PolarHBondContact O-N 3.5Å; H473-A540 PolarHBondContact N-O 3.27Å; H473-A540 VanDerWaalsContact N-O 3.07Å
474	E	87.1	Confident	89.3	Confident	46 Å²	46	57 Å²	57	22%	0.215	29%	0.289	C	S	.	.			trans	-67.5	135.3	168	-168	-174.7	-174.1	0	0	109.8	K470 E471 P472 R506	K470-E474 HydrophobicContact CB-CB 4.43Å; K470-E474 WeakPolarHBondContact CB-OE2 3.37Å; K470-E474 WeakPolarHBondContact CD-O 3.42Å; K470-E474 VanDerWaalsContact CE-O 3.29Å; K470-E474 WeakPolarHBondContact CE-O 3.4Å; K470-E474 PolarHBondContact NZ-O 3.46Å; E471-E474 HydrophobicContact CB-CB 4.08Å; E471-E474 PolarHBondContact N-OE2 3.01Å; E471-E474 VanDerWaalsContact N-OE2 3.16Å; E471-E474 VanDerWaalsContact O-CB 3.31Å; E471-E474 WeakPolarHBondContact O-CB 3.26Å; E471-E474 PolarHBondContact O-N 3.19Å; P472-E474 PolarHBondContact O-N 2.99Å; E474-R506 IonicContact OE1-CZ 2.82Å; E474-R506 VanDerWaalsContact OE1-CZ 3.23Å; E474-R506 IonicContact OE1-NH1 2.8Å; E474-R506 PolarHBondContact OE1-NH1 2.89Å; E474-R506 IonicContact OE1-NH2 2.73Å; E474-R506 PolarHBondContact OE1-NH2 2.79Å; E474-R506 IonicContact OE2-NH2 3.26Å; E474-R506 PolarHBondContact OE2-NH2 2.66Å
475	S	88	Confident	88.3	Confident	67 Å²	67	58.6 Å²	58.6	47%	0.469	31%	0.313	S	S	.	.			trans	-74.8	158.5	174.4	85.1	0	0	0	0	111.2	G477 C503	S475-G477 PolarHBondContact O-N 3.3Å; S475-G477 PolarHBondContact OG-N 3.28Å; S475-C503 WeakPolarHBondContact O-CB 3.28Å
476	L	89.9	Confident	87.2	Confident	15 Å²	15	54.6 Å²	54.6	8%	0.079	30%	0.297	C	S	.	.			trans	-64.7	-20.7	171.4	-68.9	173.8	0	0	0	112.3	K470 M478 L504 I519 L536 V545	K470-L476 HydrophobicContact CD-CD2 4.17Å; L476-M478 HydrophobicContact CB-CE 4.27Å; L476-M478 HydrophobicContact CD1-CE 3.79Å; L476-L504 HydrophobicContact CB-CD1 3.88Å; L476-L504 HydrophobicContact CB-CG 4.21Å; L476-L504 HydrophobicContact CD2-CG 4.49Å; L476-L504 WeakPolarHBondContact O-CB 3.35Å; L476-L504 VanDerWaalsContact O-CG 3.26Å; L476-L504 WeakPolarHBondContact O-CG 3.28Å; L476-L504 PolarHBondContact O-N 3.09Å; L476-I519 HydrophobicContact CD1-CD1 4.15Å; L476-L536 HydrophobicContact CD1-CD2 4.49Å; L476-V545 HydrophobicContact CD1-CG1 4.36Å; L476-V545 HydrophobicContact CD2-CB 4.12Å; L476-V545 HydrophobicContact CD2-CG1 4.14Å; L476-V545 HydrophobicContact CD2-CG2 4.1Å
477	G	89.8	Confident	85.6	Confident	2 Å²	2	64.7 Å²	64.7	2%	0.021	34%	0.341	C	S	.	.			trans	69.3	42.7	-179.5	0	0	0	0	0	112.7	S475 V498 Q499	S475-G477 PolarHBondContact O-N 3.3Å; S475-G477 PolarHBondContact OG-N 3.28Å; G477-V498 CarbonylContact O-C 3.57Å; G477-Q499 WeakPolarHBondContact O-CB 3.31Å; G477-Q499 PolarHBondContact O-N 2.83Å
478	M	92	Very high	84	Confident	27 Å²	27	64.3 Å²	64.3	13%	0.133	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	156.7	171.1	69.7	175.4	144.3	0	0	111.6	L476 V480 V495 S497 L504 I510 L516 L536 L547	L476-M478 HydrophobicContact CB-CE 4.27Å; L476-M478 HydrophobicContact CD1-CE 3.79Å; M478-V480 HydrophobicContact SD-CG1 4.38Å; M478-V495 HydrophobicContact CB-CG1 4.35Å; M478-V495 HydrophobicContact SD-CG2 3.79Å; M478-S497 CarbonylContact C-O 3.52Å; M478-S497 VanDerWaalsContact CA-O 3.26Å; M478-S497 WeakPolarHBondContact CA-O 3.25Å; M478-S497 WeakPolarHBondContact CB-O 3.11Å; M478-L504 HydrophobicContact CB-CD1 4.1Å; M478-L504 HydrophobicContact CE-CD1 3.22Å; M478-L504 HydrophobicContact CG-CD1 3.84Å; M478-L504 HydrophobicContact SD-CD1 3.45Å; M478-L504 WeakPolarHBondContact SD-CD1 3.48Å; M478-I510 HydrophobicContact SD-CG2 4.38Å; M478-L516 HydrophobicContact CE-CD1 4.08Å; M478-L516 HydrophobicContact SD-CD1 4.16Å; M478-L536 HydrophobicContact CE-CD2 4.32Å; M478-L547 HydrophobicContact CE-CD1 4.03Å
479	T	90.6	Very high	82.8	Confident	54 Å²	54	65 Å²	65	33%	0.331	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.7	168.5	64	0	0	0	0	109.5	V495 T496 S497	T479-V495 WeakPolarHBondContact O-CA 3.47Å; T479-T496 WeakPolarHBondContact CB-OG1 3.42Å; T479-T496 PolarHBondContact O-N 2.89Å; T479-T496 PolarHBondContact O-OG1 3.47Å; T479-T496 PolarHBondContact OG1-OG1 2.96Å; T479-S497 PolarHBondContact N-O 3.41Å; T479-S497 WeakPolarHBondContact OG1-CB 3.42Å; T479-S497 PolarHBondContact OG1-N 3.47Å; T479-S497 PolarHBondContact OG1-OG 3.24Å
480	V	92.1	Very high	82.1	Confident	21 Å²	21	58.6 Å²	58.6	13%	0.127	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.9	-179.8	-61.4	0	0	0	0	110.6	M478 I493 F494 T496 L516 H529 V533 L536	M478-V480 HydrophobicContact SD-CG1 4.38Å; V480-I493 HydrophobicContact CB-CG2 4.02Å; V480-I493 HydrophobicContact CG1-CG2 4.28Å; V480-I493 HydrophobicContact CG2-CG2 4.32Å; V480-F494 CarbonylContact C-O 3.59Å; V480-F494 WeakPolarHBondContact CA-O 3.29Å; V480-F494 WeakPolarHBondContact CB-O 3.31Å; V480-T496 PolarHBondContact N-OG1 3Å; V480-L516 HydrophobicContact CG1-CD1 3.72Å; V480-H529 PolarHBondContact O-CE1 3.05Å; V480-V533 HydrophobicContact CG2-CG2 3.94Å; V480-L536 HydrophobicContact CB-CD1 4.43Å; V480-L536 HydrophobicContact CG1-CD1 3.83Å; V480-L536 HydrophobicContact CG2-CD1 3.76Å
481	A	89.4	Confident	81.7	Confident	26 Å²	26	58.6 Å²	58.6	22%	0.215	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	-176.2	169.9	0	0	0	0	0	110.4	I493 F494 T496	A481-I493 WeakPolarHBondContact O-CA 3.2Å; A481-F494 HydrophobicContact CB-CE1 3.86Å; A481-F494 HydrophobicContact CB-CE2 4.07Å; A481-F494 HydrophobicContact CB-CZ 3.59Å; A481-F494 PolarHBondContact N-O 3.09Å; A481-F494 PolarHBondContact O-N 3.1Å; A481-T496 HydrophobicContact CB-CG2 3.48Å; A481-T496 VanDerWaalsContact CB-CG2 3.48Å
482	G	88.2	Confident	81.9	Confident	4 Å²	4	52.3 Å²	52.3	4%	0.041	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.4	-162.4	-174.2	0	0	0	0	0	112.9	H529	G482-H529 VanDerWaalsContact O-CB 3.23Å; G482-H529 WeakPolarHBondContact O-CB 3.36Å; G482-H529 PolarHBondContact O-ND1 3.1Å; G482-H529 VanDerWaalsContact O-ND1 3.08Å
483	G	86.1	Confident	82.5	Confident	2 Å²	2	49 Å²	49	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.7	159.6	-172.7	0	0	0	0	0	112.2	G485 S486 L491 I493 L527	G483-G485 PolarHBondContact O-N 2.78Å; G483-S486 WeakPolarHBondContact O-CB 3.21Å; G483-S486 PolarHBondContact O-N 3.42Å; G483-S486 VanDerWaalsContact O-N 3.12Å; G483-L491 CarbonylContact C-O 3.57Å; G483-L491 WeakPolarHBondContact CA-O 3.25Å; G483-L491 PolarHBondContact N-O 3.36Å; G483-I493 VanDerWaalsContact CA-CD1 3.47Å; G483-L527 WeakPolarHBondContact CA-O 3.44Å
484	R	84.8	Confident	83	Confident	142 Å²	142	41.6 Å²	41.6	54%	0.536	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	132.1	179.4	-167.4	-179.1	73.2	-146.6	-0.1	111.1	S486 N526 L527	R484-S486 VanDerWaalsContact C-N 3.29Å; R484-S486 PolarHBondContact O-N 3.42Å; R484-N526 PolarHBondContact NH1-O 2.95Å; R484-L527 PolarHBondContact N-O 2.85Å
485	G	72.9	Confident	83.3	Confident	60 Å²	60	39.4 Å²	39.4	62%	0.619	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	67.3	20.2	-178.5	0	0	0	0	0	115.6	G483 E490	G483-G485 PolarHBondContact O-N 2.78Å; G485-E490 PolarHBondContact N-OE1 3.12Å; G485-E490 VanDerWaalsContact N-OE1 3.09Å
486	S	72.6	Confident	83.3	Confident	25 Å²	25	37.4 Å²	37.4	18%	0.175	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	150.8	175.2	98.6	0	0	0	0	111.6	G483 R484 S488 G489	G483-S486 WeakPolarHBondContact O-CB 3.21Å; G483-S486 PolarHBondContact O-N 3.42Å; G483-S486 VanDerWaalsContact O-N 3.12Å; R484-S486 VanDerWaalsContact C-N 3.29Å; R484-S486 PolarHBondContact O-N 3.42Å; S486-S488 PolarHBondContact O-N 3.09Å; S486-S488 PolarHBondContact OG-N 3.35Å; S486-G489 WeakPolarHBondContact CB-O 3.35Å; S486-G489 PolarHBondContact O-N 2.87Å; S486-G489 VanDerWaalsContact O-N 3.1Å; S486-G489 PolarHBondContact OG-O 3.48Å
487	K	60.2	Low	83.3	Confident	214 Å²	214	38 Å²	38	93%	0.93	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.7	177.2	-66.6	-174.9	179.3	-178.5	0	112.8	G489	K487-G489 VanDerWaalsContact C-N 3.3Å
488	S	60.5	Low	83.4	Confident	77 Å²	77	39.5 Å²	39.5	54%	0.538	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	22.1	179.6	-49.5	0	0	0	0	112	S486 P683	S486-S488 PolarHBondContact O-N 3.09Å; S486-S488 PolarHBondContact OG-N 3.35Å; S488-P683 WeakPolarHBondContact O-CB 3.5Å; S488-P683 VanDerWaalsContact O-CG 3.29Å; S488-P683 WeakPolarHBondContact O-CG 3.3Å
489	G	68.6	Low	83.2	Confident	24 Å²	24	42.5 Å²	42.5	25%	0.247	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.7	174.2	-179.8	0	0	0	0	0	114.7	S486 K487 L491	S486-G489 WeakPolarHBondContact CB-O 3.35Å; S486-G489 PolarHBondContact O-N 2.87Å; S486-G489 VanDerWaalsContact O-N 3.1Å; S486-G489 PolarHBondContact OG-O 3.48Å; K487-G489 VanDerWaalsContact C-N 3.3Å; G489-L491 PolarHBondContact O-N 3.14Å
490	E	75.9	Confident	83	Confident	42 Å²	42	42 Å²	42	20%	0.196	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	59.7	-179.5	-74	-96.1	148.2	0	0	111.2	G485 S594 H596	G485-E490 PolarHBondContact N-OE1 3.12Å; G485-E490 VanDerWaalsContact N-OE1 3.09Å; E490-S594 WeakPolarHBondContact OE2-CB 3.35Å; E490-S594 PolarHBondContact OE2-OG 2.78Å; E490-H596 WeakPolarHBondContact CG-CE1 3.3Å; E490-H596 IonicContact OE1-CE1 3.34Å; E490-H596 IonicContact OE1-NE2 3.74Å; E490-H596 PolarHBondContact OE1-NE2 2.84Å; E490-H596 IonicContact OE2-CE1 2.78Å; E490-H596 PolarHBondContact OE2-CE1 3.4Å; E490-H596 IonicContact OE2-NE2 3.01Å; E490-H596 PolarHBondContact OE2-NE2 3.42Å
491	L	82.6	Confident	82.7	Confident	10 Å²	10	48.9 Å²	48.9	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	151.6	-177.9	-67.9	176.4	0	0	0	111.7	G483 G489 F494 W585 W682 P683	G483-L491 CarbonylContact C-O 3.57Å; G483-L491 WeakPolarHBondContact CA-O 3.25Å; G483-L491 PolarHBondContact N-O 3.36Å; G489-L491 PolarHBondContact O-N 3.14Å; L491-F494 HydrophobicContact CB-CE1 4.45Å; L491-F494 HydrophobicContact CD1-CE1 3.98Å; L491-W585 HydrophobicContact CB-CZ2 4.35Å; L491-W585 HydrophobicContact CD1-CZ2 3.56Å; L491-W585 HydrophobicContact CD2-CD2 3.88Å; L491-W585 HydrophobicContact CD2-CG 4.14Å; L491-W585 HydrophobicContact CD2-CH2 4.47Å; L491-W585 HydrophobicContact CD2-CZ2 3.78Å; L491-W585 HydrophobicContact CG-CZ2 4.1Å; L491-W682 HydrophobicContact CD2-CE3 4.35Å; L491-W682 HydrophobicContact CD2-CZ3 4.38Å; L491-P683 HydrophobicContact CD1-CG 3.62Å; L491-P683 HydrophobicContact CD2-CG 3.71Å; L491-P683 HydrophobicContact CG-CG 3.76Å
492	P	89.1	Confident	82.6	Confident	7 Å²	7	48.2 Å²	48.2	5%	0.045	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	165	169.7	31.3	-36.8	0	0	0	110.7	F494 V515 W585 L588	P492-F494 WeakPolarHBondContact O-CD1 3.34Å; P492-F494 PolarHBondContact O-N 3.17Å; P492-V515 HydrophobicContact CB-CG1 3.64Å; P492-V515 HydrophobicContact CG-CG1 3.77Å; P492-V515 HydrophobicContact CG-CG2 4.4Å; P492-W585 HydrophobicContact CG-CH2 4.37Å; P492-W585 HydrophobicContact CG-CZ3 4.05Å; P492-L588 HydrophobicContact CG-CD1 3.87Å
493	I	91.7	Very high	82.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	122.1	175.6	-57.9	-65.7	0	0	0	109	V480 A481 G483 V515 L516 A532	V480-I493 HydrophobicContact CB-CG2 4.02Å; V480-I493 HydrophobicContact CG1-CG2 4.28Å; V480-I493 HydrophobicContact CG2-CG2 4.32Å; A481-I493 WeakPolarHBondContact O-CA 3.2Å; G483-I493 VanDerWaalsContact CA-CD1 3.47Å; I493-V515 CarbonylContact O-C 3.56Å; I493-V515 WeakPolarHBondContact O-CA 3.44Å; I493-V515 WeakPolarHBondContact O-CG1 3.41Å; I493-L516 HydrophobicContact CB-CB 4.5Å; I493-L516 HydrophobicContact CG2-CB 4.18Å; I493-L516 HydrophobicContact CG2-CD1 4.18Å; I493-L516 HydrophobicContact CG2-CG 4.48Å; I493-L516 PolarHBondContact O-N 2.83Å; I493-A532 HydrophobicContact CD1-CB 3.42Å; I493-A532 VanDerWaalsContact CD1-CB 3.42Å; I493-A532 HydrophobicContact CG1-CB 3.6Å; I493-A532 HydrophobicContact CG2-CB 4.37Å
494	F	91.8	Very high	83	Confident	9 Å²	9	48 Å²	48	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.2	180	68.4	-87.4	0	0	0	112.4	V480 A481 L491 P492 T496 D514 V515 W578 P580 W585	V480-F494 CarbonylContact C-O 3.59Å; V480-F494 WeakPolarHBondContact CA-O 3.29Å; V480-F494 WeakPolarHBondContact CB-O 3.31Å; A481-F494 HydrophobicContact CB-CE1 3.86Å; A481-F494 HydrophobicContact CB-CE2 4.07Å; A481-F494 HydrophobicContact CB-CZ 3.59Å; A481-F494 PolarHBondContact N-O 3.09Å; A481-F494 PolarHBondContact O-N 3.1Å; L491-F494 HydrophobicContact CB-CE1 4.45Å; L491-F494 HydrophobicContact CD1-CE1 3.98Å; P492-F494 WeakPolarHBondContact O-CD1 3.34Å; P492-F494 PolarHBondContact O-N 3.17Å; F494-T496 HydrophobicContact CD2-CG2 4.17Å; F494-T496 HydrophobicContact CE2-CG2 3.57Å; F494-T496 HydrophobicContact CZ-CG2 4.23Å; F494-D514 CarbonylContact C-O 3.59Å; F494-D514 WeakPolarHBondContact CA-O 3.39Å; F494-V515 HydrophobicContact CB-CG2 4.33Å; F494-W578 HydrophobicContact CD2-CZ3 4.05Å; F494-W578 HydrophobicContact CE2-CE3 4.24Å; F494-W578 HydrophobicContact CE2-CZ3 4.01Å; F494-P580 HydrophobicContact CD2-CG 4.33Å; F494-P580 HydrophobicContact CE2-CG 3.94Å; F494-P580 HydrophobicContact CZ-CG 4.06Å; F494-W585 HydrophobicContact CB-CH2 4.13Å; F494-W585 AromaticContact CD1-CH2 3.58Å; F494-W585 HydrophobicContact CD1-CH2 3.58Å; F494-W585 AromaticContact CD1-CZ2 3.85Å; F494-W585 HydrophobicContact CD1-CZ2 3.85Å; F494-W585 HydrophobicContact CE1-CH2 4.08Å; F494-W585 AromaticContact CE1-CZ2 3.85Å; F494-W585 HydrophobicContact CE1-CZ2 3.85Å; F494-W585 AromaticContact CG-CH2 3.85Å; F494-W585 HydrophobicContact CG-CH2 3.85Å; F494-W585 HydrophobicContact CG-CZ2 4.34Å; F494-W585 HydrophobicContact CZ-CZ2 4.32Å
495	V	92.1	Very high	83.3	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.4	-178.4	-180	0	0	0	0	110.5	M478 T479 V498 I510 G513 D514 L516	M478-V495 HydrophobicContact CB-CG1 4.35Å; M478-V495 HydrophobicContact SD-CG2 3.79Å; T479-V495 WeakPolarHBondContact O-CA 3.47Å; V495-V498 HydrophobicContact CG1-CG2 3.81Å; V495-I510 HydrophobicContact CG1-CG2 4.27Å; V495-I510 HydrophobicContact CG2-CG2 3.95Å; V495-G513 PolarHBondContact O-N 3.37Å; V495-D514 HydrophobicContact CG2-CB 4.41Å; V495-D514 PolarHBondContact N-O 3.28Å; V495-L516 HydrophobicContact CG2-CD1 4.32Å; V495-L516 HydrophobicContact CG2-CD2 3.89Å; V495-L516 HydrophobicContact CG2-CG 4.04Å
496	T	89.2	Confident	84.1	Confident	25 Å²	25	47 Å²	47	15%	0.153	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-33.5	177.3	40	0	0	0	0	112.8	T479 V480 A481 F494 R512	T479-T496 WeakPolarHBondContact CB-OG1 3.42Å; T479-T496 PolarHBondContact O-N 2.89Å; T479-T496 PolarHBondContact O-OG1 3.47Å; T479-T496 PolarHBondContact OG1-OG1 2.96Å; V480-T496 PolarHBondContact N-OG1 3Å; A481-T496 HydrophobicContact CB-CG2 3.48Å; A481-T496 VanDerWaalsContact CB-CG2 3.48Å; F494-T496 HydrophobicContact CD2-CG2 4.17Å; F494-T496 HydrophobicContact CE2-CG2 3.57Å; F494-T496 HydrophobicContact CZ-CG2 4.23Å; T496-R512 WeakPolarHBondContact O-CD 3.31Å; T496-R512 WeakPolarHBondContact O-CG 3.38Å
497	S	89.6	Confident	85.1	Confident	28 Å²	28	48.3 Å²	48.3	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	153.1	173.9	74.3	0	0	0	0	111.4	M478 T479	M478-S497 CarbonylContact C-O 3.52Å; M478-S497 VanDerWaalsContact CA-O 3.26Å; M478-S497 WeakPolarHBondContact CA-O 3.25Å; M478-S497 WeakPolarHBondContact CB-O 3.11Å; T479-S497 PolarHBondContact N-O 3.41Å; T479-S497 WeakPolarHBondContact OG1-CB 3.42Å; T479-S497 PolarHBondContact OG1-N 3.47Å; T479-S497 PolarHBondContact OG1-OG 3.24Å
498	V	91.3	Very high	86.6	Confident	32 Å²	32	40.2 Å²	40.2	19%	0.194	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.6	170.2	-172.6	0	0	0	0	106.6	G477 V495 P500 L504 A505 I510	G477-V498 CarbonylContact O-C 3.57Å; V495-V498 HydrophobicContact CG1-CG2 3.81Å; V498-P500 VanDerWaalsContact O-CD 3.32Å; V498-P500 WeakPolarHBondContact O-CD 3.36Å; V498-L504 HydrophobicContact CG1-CB 4.07Å; V498-A505 HydrophobicContact CG1-CB 3.92Å; V498-I510 HydrophobicContact CG2-CG2 4.05Å
499	Q	89	Confident	88.2	Confident	90 Å²	90	41.3 Å²	41.3	42%	0.421	22%	0.223	S	C	.	.			trans	-68.9	122.7	-178.3	-69.1	178.8	0.5	0	0	110	G477 G502 A505	G477-Q499 WeakPolarHBondContact O-CB 3.31Å; G477-Q499 PolarHBondContact O-N 2.83Å; Q499-G502 WeakPolarHBondContact O-CA 3.37Å; Q499-G502 PolarHBondContact O-N 3.4Å; Q499-A505 WeakPolarHBondContact O-CB 3.27Å
500	P	85.8	Confident	89.4	Confident	44 Å²	44	40.5 Å²	40.5	29%	0.286	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	139	170.2	-33.9	43.2	0	0	0	112.2	V498 G502 Y574	V498-P500 VanDerWaalsContact O-CD 3.32Å; V498-P500 WeakPolarHBondContact O-CD 3.36Å; P500-G502 PolarHBondContact O-N 3.12Å; P500-Y574 WeakPolarHBondContact CD-OH 3.49Å; P500-Y574 HydrophobicContact CG-CE1 4.18Å; P500-Y574 HydrophobicContact CG-CE2 4.08Å; P500-Y574 VanDerWaalsContact CG-CZ 3.46Å; P500-Y574 WeakPolarHBondContact CG-OH 3.49Å
501	H	85.4	Confident	90.1	Very high	166 Å²	166	43.4 Å²	43.4	77%	0.769	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	-4	-173.7	-44	-65.4	0	0	0	115.7	R506	H501-R506 PolarHBondContact O-NH1 2.82Å
502	G	86.8	Confident	90.5	Very high	11 Å²	11	47.2 Å²	47.2	11%	0.113	24%	0.239	C	C	.	.	S	Bend	trans	-66.8	164.2	172.3	0	0	0	0	0	112.8	Q499 P500 L504 A505 R506	Q499-G502 WeakPolarHBondContact O-CA 3.37Å; Q499-G502 PolarHBondContact O-N 3.4Å; P500-G502 PolarHBondContact O-N 3.12Å; G502-L504 PolarHBondContact O-N 3.31Å; G502-A505 WeakPolarHBondContact O-CB 3.46Å; G502-A505 PolarHBondContact O-N 3.42Å; G502-R506 WeakPolarHBondContact O-CG 3.36Å; G502-R506 PolarHBondContact O-N 3.11Å
503	C	90.6	Very high	90.5	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-50.4	-50.4	-176.5	174.6	0	0	0	0	113.2	V468 K470 S475 R506 D507	V468-C503 WeakPolarHBondContact CG1-SG 3.41Å; K470-C503 HydrophobicContact CB-CB 4.48Å; K470-C503 VanDerWaalsContact CB-SG 3.6Å; S475-C503 WeakPolarHBondContact O-CB 3.28Å; C503-R506 PolarHBondContact O-N 3.01Å; C503-D507 PolarHBondContact O-N 2.73Å
504	L	92.2	Very high	90.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-73.5	-27.9	178.6	-69.4	176.8	0	0	0	114	V468 L476 M478 V498 G502 D507 G508 I510 L547	V468-L504 HydrophobicContact CG2-CD2 3.91Å; L476-L504 HydrophobicContact CB-CD1 3.88Å; L476-L504 HydrophobicContact CB-CG 4.21Å; L476-L504 HydrophobicContact CD2-CG 4.49Å; L476-L504 WeakPolarHBondContact O-CB 3.35Å; L476-L504 VanDerWaalsContact O-CG 3.26Å; L476-L504 WeakPolarHBondContact O-CG 3.28Å; L476-L504 PolarHBondContact O-N 3.09Å; M478-L504 HydrophobicContact CB-CD1 4.1Å; M478-L504 HydrophobicContact CE-CD1 3.22Å; M478-L504 HydrophobicContact CG-CD1 3.84Å; M478-L504 HydrophobicContact SD-CD1 3.45Å; M478-L504 WeakPolarHBondContact SD-CD1 3.48Å; V498-L504 HydrophobicContact CG1-CB 4.07Å; G502-L504 PolarHBondContact O-N 3.31Å; L504-D507 PolarHBondContact O-N 3.21Å; L504-G508 PolarHBondContact O-N 3.49Å; L504-I510 HydrophobicContact CB-CB 4.47Å; L504-I510 HydrophobicContact CD1-CB 4.42Å; L504-I510 HydrophobicContact CD1-CG1 4.27Å; L504-I510 HydrophobicContact CD1-CG2 4.37Å; L504-I510 HydrophobicContact CD2-CG1 4Å; L504-L547 HydrophobicContact CD1-CD1 4.22Å; L504-L547 HydrophobicContact CD2-CD1 3.93Å
505	A	90.8	Very high	90.6	Very high	38 Å²	38	46.9 Å²	46.9	31%	0.314	24%	0.238	S	C	.	.	H	α-helix	trans	-67.3	-38.6	173.1	0	0	0	0	0	111.8	V498 Q499 G502 D507 G508	V498-A505 HydrophobicContact CG1-CB 3.92Å; Q499-A505 WeakPolarHBondContact O-CB 3.27Å; G502-A505 WeakPolarHBondContact O-CB 3.46Å; G502-A505 PolarHBondContact O-N 3.42Å; A505-D507 VanDerWaalsContact C-N 3.32Å; A505-G508 PolarHBondContact O-N 3.25Å
506	R	91.3	Very high	90.7	Very high	144 Å²	144	46.9 Å²	46.9	54%	0.543	24%	0.238	S	C	.	.	H	α-helix	trans	-66.9	-34.3	175.7	-64	-170.9	-52.4	-97.1	6.3	112.4	E474 H501 G502 C503	E474-R506 IonicContact OE1-CZ 2.82Å; E474-R506 VanDerWaalsContact OE1-CZ 3.23Å; E474-R506 IonicContact OE1-NH1 2.8Å; E474-R506 PolarHBondContact OE1-NH1 2.89Å; E474-R506 IonicContact OE1-NH2 2.73Å; E474-R506 PolarHBondContact OE1-NH2 2.79Å; E474-R506 IonicContact OE2-NH2 3.26Å; E474-R506 PolarHBondContact OE2-NH2 2.66Å; H501-R506 PolarHBondContact O-NH1 2.82Å; G502-R506 WeakPolarHBondContact O-CG 3.36Å; G502-R506 PolarHBondContact O-N 3.11Å; C503-R506 PolarHBondContact O-N 3.01Å
507	D	92.9	Very high	91	Very high	52 Å²	52	47 Å²	47	28%	0.278	24%	0.238	S	C	.	.	H	α-helix	trans	-73	-37.7	174.3	-177	-92.8	0	0	0	112.2	V468 C503 L504 A505 R509	V468-D507 HydrophobicContact CG1-CB 4.3Å; V468-D507 HydrophobicContact CG2-CB 4.13Å; C503-D507 PolarHBondContact O-N 2.73Å; L504-D507 PolarHBondContact O-N 3.21Å; A505-D507 VanDerWaalsContact C-N 3.32Å; D507-R509 PolarHBondContact O-N 2.8Å; D507-R509 VanDerWaalsContact OD1-CB 3.32Å; D507-R509 WeakPolarHBondContact OD1-CB 3.48Å; D507-R509 WeakPolarHBondContact OD1-CG 3.48Å; D507-R509 IonicContact OD1-CZ 3.49Å; D507-R509 PolarHBondContact OD1-N 3.2Å; D507-R509 IonicContact OD1-NE 3.48Å; D507-R509 PolarHBondContact OD1-NE 2.91Å; D507-R509 IonicContact OD1-NH2 2.8Å; D507-R509 PolarHBondContact OD1-NH2 2.88Å; D507-R509 IonicContact OD2-CZ 3.33Å; D507-R509 IonicContact OD2-NE 3.92Å; D507-R509 PolarHBondContact OD2-NE 3.23Å; D507-R509 IonicContact OD2-NH2 3.23Å; D507-R509 PolarHBondContact OD2-NH2 2.83Å
508	G	91	Very high	91.2	Very high	44 Å²	44	46.8 Å²	46.8	45%	0.454	24%	0.235	S	C	.	.			trans	75.6	-3.4	170.4	0	0	0	0	0	116.1	L504 A505	L504-G508 PolarHBondContact O-N 3.49Å; A505-G508 PolarHBondContact O-N 3.25Å
509	R	93.8	Very high	91.4	Very high	100 Å²	100	45.3 Å²	45.3	38%	0.377	23%	0.226	S	C	.	.			trans	-83.4	-29.9	-179.1	-64.5	-179.9	-72	177.7	-8.7	114	K464 I466 T467 D507	K464-R509 WeakPolarHBondContact CE-O 3.32Å; K464-R509 PolarHBondContact NZ-O 3.42Å; I466-R509 HydrophobicContact CD1-CB 3.69Å; I466-R509 HydrophobicContact CG1-CB 3.96Å; T467-R509 PolarHBondContact O-NH2 2.75Å; D507-R509 PolarHBondContact O-N 2.8Å; D507-R509 VanDerWaalsContact OD1-CB 3.32Å; D507-R509 WeakPolarHBondContact OD1-CB 3.48Å; D507-R509 WeakPolarHBondContact OD1-CG 3.48Å; D507-R509 IonicContact OD1-CZ 3.49Å; D507-R509 PolarHBondContact OD1-N 3.2Å; D507-R509 IonicContact OD1-NE 3.48Å; D507-R509 PolarHBondContact OD1-NE 2.91Å; D507-R509 IonicContact OD1-NH2 2.8Å; D507-R509 PolarHBondContact OD1-NH2 2.88Å; D507-R509 IonicContact OD2-CZ 3.33Å; D507-R509 IonicContact OD2-NE 3.92Å; D507-R509 PolarHBondContact OD2-NE 3.23Å; D507-R509 IonicContact OD2-NH2 3.23Å; D507-R509 PolarHBondContact OD2-NH2 2.83Å
510	I	94.1	Very high	91.6	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	22%	0.223	C	C	.	.			trans	-83.6	131.2	171.9	-67.2	-63.5	0	0	0	109.1	I466 M478 V495 V498 L504 D514 L516 L547 A549	I466-I510 HydrophobicContact CD1-CD1 3.34Å; I466-I510 HydrophobicContact CD1-CG1 3.71Å; M478-I510 HydrophobicContact SD-CG2 4.38Å; V495-I510 HydrophobicContact CG1-CG2 4.27Å; V495-I510 HydrophobicContact CG2-CG2 3.95Å; V498-I510 HydrophobicContact CG2-CG2 4.05Å; L504-I510 HydrophobicContact CB-CB 4.47Å; L504-I510 HydrophobicContact CD1-CB 4.42Å; L504-I510 HydrophobicContact CD1-CG1 4.27Å; L504-I510 HydrophobicContact CD1-CG2 4.37Å; L504-I510 HydrophobicContact CD2-CG1 4Å; I510-D514 WeakPolarHBondContact CA-OD2 3.44Å; I510-L516 HydrophobicContact CD1-CD2 4.47Å; I510-L547 HydrophobicContact CD1-CD1 4.46Å; I510-L547 HydrophobicContact CG1-CD1 4.29Å; I510-A549 HydrophobicContact CD1-CB 3.79Å
511	K	92	Very high	91.9	Very high	104 Å²	104	45.3 Å²	45.3	45%	0.452	24%	0.241	S	C	.	.			trans	-125.4	163.3	177.3	-60.4	177.2	-170.5	163.9	0	111	G513 D514 E551	K511-G513 PolarHBondContact O-N 3.3Å; K511-D514 PolarHBondContact N-OD2 3.02Å; K511-D514 WeakPolarHBondContact O-CB 3.19Å; K511-D514 PolarHBondContact O-N 3.07Å; K511-E551 IonicContact NZ-OE1 2.79Å; K511-E551 PolarHBondContact NZ-OE1 3.11Å; K511-E551 VanDerWaalsContact NZ-OE1 3.13Å
512	R	89.9	Confident	92.2	Very high	90 Å²	90	40.9 Å²	40.9	34%	0.34	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	134.1	166.8	175.5	174.7	175.8	-176	1.6	109.4	T496 W578	T496-R512 WeakPolarHBondContact O-CD 3.31Å; T496-R512 WeakPolarHBondContact O-CG 3.38Å; R512-W578 HydrophobicContact CG-CD2 3.99Å; R512-W578 HydrophobicContact CG-CE3 3.88Å; R512-W578 HydrophobicContact CG-CH2 4.38Å; R512-W578 HydrophobicContact CG-CZ2 4.47Å; R512-W578 HydrophobicContact CG-CZ3 4.09Å; R512-W578 VanDerWaalsContact CZ-CD1 3.42Å; R512-W578 VanDerWaalsContact NE-CD2 3.25Å
513	G	88.6	Confident	92.6	Very high	5 Å²	5	44.2 Å²	44.2	5%	0.052	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-13.8	-176.4	0	0	0	0	0	115.5	V495 K511 V515 W578 M584	V495-G513 PolarHBondContact O-N 3.37Å; K511-G513 PolarHBondContact O-N 3.3Å; G513-V515 PolarHBondContact O-N 2.88Å; G513-W578 VanDerWaalsContact CA-CH2 3.42Å; G513-M584 WeakPolarHBondContact O-CE 3.33Å
514	D	92.3	Very high	92.7	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-62.1	133.7	175	-74.8	-14.5	0	0	0	110.3	K464 F494 V495 I510 K511 A549 L550 E551	K464-D514 IonicContact NZ-OD1 3.23Å; K464-D514 PolarHBondContact NZ-OD1 3.04Å; K464-D514 VanDerWaalsContact NZ-OD1 3.14Å; K464-D514 IonicContact NZ-OD2 3.72Å; K464-D514 PolarHBondContact NZ-OD2 2.72Å; F494-D514 CarbonylContact C-O 3.59Å; F494-D514 WeakPolarHBondContact CA-O 3.39Å; V495-D514 HydrophobicContact CG2-CB 4.41Å; V495-D514 PolarHBondContact N-O 3.28Å; I510-D514 WeakPolarHBondContact CA-OD2 3.44Å; K511-D514 PolarHBondContact N-OD2 3.02Å; K511-D514 WeakPolarHBondContact O-CB 3.19Å; K511-D514 PolarHBondContact O-N 3.07Å; D514-A549 HydrophobicContact CB-CB 4.46Å; D514-L550 WeakPolarHBondContact CA-O 3.35Å; D514-E551 WeakPolarHBondContact OD1-CA 3.21Å; D514-E551 WeakPolarHBondContact OD1-CB 3.48Å
515	V	93.3	Very high	92.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	124	177.2	-179.7	0	0	0	0	109.3	P492 I493 F494 G513 L517 A549 L550 V552 W585 L588 L592	P492-V515 HydrophobicContact CB-CG1 3.64Å; P492-V515 HydrophobicContact CG-CG1 3.77Å; P492-V515 HydrophobicContact CG-CG2 4.4Å; I493-V515 CarbonylContact O-C 3.56Å; I493-V515 WeakPolarHBondContact O-CA 3.44Å; I493-V515 WeakPolarHBondContact O-CG1 3.41Å; F494-V515 HydrophobicContact CB-CG2 4.33Å; G513-V515 PolarHBondContact O-N 2.88Å; V515-L517 HydrophobicContact CG1-CD2 4.32Å; V515-A549 CarbonylContact O-C 3.58Å; V515-A549 WeakPolarHBondContact O-CA 3.4Å; V515-L550 HydrophobicContact CB-CB 4.23Å; V515-L550 PolarHBondContact N-O 2.97Å; V515-L550 PolarHBondContact O-N 2.96Å; V515-V552 HydrophobicContact CG2-CG2 4.35Å; V515-W585 HydrophobicContact CG2-CZ3 4.09Å; V515-L588 HydrophobicContact CG2-CD2 4.32Å; V515-L592 HydrophobicContact CG1-CD1 4.29Å
516	L	94.9	Very high	92.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.7	179.8	-58.5	-175.5	0	0	0	110.5	M478 V480 I493 V495 I510 L524 L536 A549	M478-L516 HydrophobicContact CE-CD1 4.08Å; M478-L516 HydrophobicContact SD-CD1 4.16Å; V480-L516 HydrophobicContact CG1-CD1 3.72Å; I493-L516 HydrophobicContact CB-CB 4.5Å; I493-L516 HydrophobicContact CG2-CB 4.18Å; I493-L516 HydrophobicContact CG2-CD1 4.18Å; I493-L516 HydrophobicContact CG2-CG 4.48Å; I493-L516 PolarHBondContact O-N 2.83Å; V495-L516 HydrophobicContact CG2-CD1 4.32Å; V495-L516 HydrophobicContact CG2-CD2 3.89Å; V495-L516 HydrophobicContact CG2-CG 4.04Å; I510-L516 HydrophobicContact CD1-CD2 4.47Å; L516-L524 HydrophobicContact CB-CD1 3.85Å; L516-L536 HydrophobicContact CD1-CD1 4.3Å; L516-L536 HydrophobicContact CD1-CD2 4.19Å; L516-A549 HydrophobicContact CD2-CB 4.06Å
517	L	94.6	Very high	92.2	Very high	26 Å²	26	44.4 Å²	44.4	14%	0.136	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-39.2	179.3	-54.9	-179.3	0	0	0	111.4	E463 V515 L524 T525 K548 L550 L592	E463-L517 HydrophobicContact CG-CD1 4.31Å; V515-L517 HydrophobicContact CG1-CD2 4.32Å; L517-L524 PolarHBondContact O-N 3.02Å; L517-T525 HydrophobicContact CD2-CG2 4.01Å; L517-K548 HydrophobicContact CB-CB 4.23Å; L517-K548 PolarHBondContact N-O 3.08Å; L517-L550 HydrophobicContact CD1-CB 4.27Å; L517-L550 HydrophobicContact CD2-CB 4.48Å; L517-L550 HydrophobicContact CG-CB 4.41Å; L517-L592 HydrophobicContact CD2-CD1 4.07Å; L517-L592 HydrophobicContact CD2-CD2 3.65Å
518	N	95.7	Very high	92.1	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.134	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	146.8	-171.8	-169.6	-87.8	0	0	0	112	G521 I522 D523 L547 K548	N518-G521 PolarHBondContact ND2-O 3.1Å; N518-G521 WeakPolarHBondContact OD1-CA 3.18Å; N518-G521 PolarHBondContact OD1-N 3.44Å; N518-I522 CarbonylContact C-O 3.54Å; N518-I522 VanDerWaalsContact CA-O 3.24Å; N518-I522 WeakPolarHBondContact CA-O 3.46Å; N518-I522 VanDerWaalsContact CG-O 3.29Å; N518-I522 PolarHBondContact ND2-N 3Å; N518-I522 PolarHBondContact ND2-O 3.47Å; N518-I522 VanDerWaalsContact ND2-O 3.13Å; N518-I522 PolarHBondContact OD1-N 3.01Å; N518-D523 PolarHBondContact ND2-N 3.4Å; N518-L547 WeakPolarHBondContact O-CA 3.26Å; N518-K548 HydrophobicContact CB-CB 3.79Å; N518-K548 HydrophobicContact CB-CD 4.13Å; N518-K548 HydrophobicContact CB-CG 4Å; N518-K548 PolarHBondContact N-O 3.33Å; N518-K548 VanDerWaalsContact N-O 3.09Å; N518-K548 PolarHBondContact O-N 2.99Å
519	I	95.3	Very high	92.1	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	125.2	165	-174.8	167.2	0	0	0	111	L476 G521 I522 L524 M535 L536 S539 V545 A546 L547	L476-I519 HydrophobicContact CD1-CD1 4.15Å; I519-G521 PolarHBondContact O-N 2.84Å; I519-G521 VanDerWaalsContact O-N 3.16Å; I519-I522 PolarHBondContact N-O 2.92Å; I519-I522 WeakPolarHBondContact O-CA 3.33Å; I519-I522 VanDerWaalsContact O-CB 3.3Å; I519-I522 WeakPolarHBondContact O-CB 3.42Å; I519-I522 PolarHBondContact O-N 3.24Å; I519-L524 HydrophobicContact CB-CD1 4.23Å; I519-L524 HydrophobicContact CG2-CD1 3.95Å; I519-L524 HydrophobicContact CG2-CD2 3.84Å; I519-L524 HydrophobicContact CG2-CG 4.11Å; I519-M535 HydrophobicContact CG2-CB 4.22Å; I519-L536 HydrophobicContact CB-CD2 4.48Å; I519-L536 HydrophobicContact CD1-CD2 3.61Å; I519-L536 HydrophobicContact CG2-CD2 4.45Å; I519-S539 WeakPolarHBondContact CD1-OG 3.4Å; I519-V545 HydrophobicContact CD1-CG1 3.74Å; I519-V545 HydrophobicContact CG1-CG1 3.83Å; I519-A546 CarbonylContact C-O 3.6Å; I519-A546 WeakPolarHBondContact CA-O 3.42Å; I519-L547 HydrophobicContact CB-CD2 3.85Å; I519-L547 HydrophobicContact CD1-CD2 3.82Å; I519-L547 HydrophobicContact CG1-CD2 3.72Å
520	N	93.4	Very high	92	Very high	69 Å²	69	43.6 Å²	43.6	37%	0.369	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	36.9	177.9	-63.8	-25.6	0	0	0	113.9	I522 V545 A546	N520-I522 VanDerWaalsContact C-N 3.3Å; N520-V545 WeakPolarHBondContact OD1-CA 3.19Å; N520-A546 PolarHBondContact N-O 3.03Å; N520-A546 PolarHBondContact OD1-N 2.65Å
521	G	90.5	Very high	92	Very high	64 Å²	64	47.4 Å²	47.4	66%	0.66	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-6.2	-176.9	0	0	0	0	0	114.2	N518 I519	N518-G521 PolarHBondContact ND2-O 3.1Å; N518-G521 WeakPolarHBondContact OD1-CA 3.18Å; N518-G521 PolarHBondContact OD1-N 3.44Å; I519-G521 PolarHBondContact O-N 2.84Å; I519-G521 VanDerWaalsContact O-N 3.16Å
522	I	93.2	Very high	92.1	Very high	74 Å²	74	42.5 Å²	42.5	38%	0.379	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.4	-179	-54.4	177.2	0	0	0	109.6	N518 I519 N520 M535	N518-I522 CarbonylContact C-O 3.54Å; N518-I522 VanDerWaalsContact CA-O 3.24Å; N518-I522 WeakPolarHBondContact CA-O 3.46Å; N518-I522 VanDerWaalsContact CG-O 3.29Å; N518-I522 PolarHBondContact ND2-N 3Å; N518-I522 PolarHBondContact ND2-O 3.47Å; N518-I522 VanDerWaalsContact ND2-O 3.13Å; N518-I522 PolarHBondContact OD1-N 3.01Å; I519-I522 PolarHBondContact N-O 2.92Å; I519-I522 WeakPolarHBondContact O-CA 3.33Å; I519-I522 VanDerWaalsContact O-CB 3.3Å; I519-I522 WeakPolarHBondContact O-CB 3.42Å; I519-I522 PolarHBondContact O-N 3.24Å; N520-I522 VanDerWaalsContact C-N 3.3Å; I522-M535 HydrophobicContact CB-CE 4.49Å; I522-M535 HydrophobicContact CD1-CE 3.15Å; I522-M535 HydrophobicContact CG1-CE 4.34Å; I522-M535 HydrophobicContact CG2-CE 4.09Å; I522-M535 HydrophobicContact CG2-CG 4.37Å
523	D	93.4	Very high	92.2	Very high	80 Å²	80	39.7 Å²	39.7	43%	0.428	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	131.5	177.7	-178.3	15.4	0	0	0	111	N518 T525	N518-D523 PolarHBondContact ND2-N 3.4Å; D523-T525 VanDerWaalsContact CG-OG1 3.25Å; D523-T525 WeakPolarHBondContact OD1-CB 3.46Å; D523-T525 WeakPolarHBondContact OD1-CG2 3.44Å; D523-T525 PolarHBondContact OD1-N 3.33Å; D523-T525 PolarHBondContact OD1-OG1 3.03Å; D523-T525 PolarHBondContact OD2-OG1 3.13Å; D523-T525 VanDerWaalsContact OD2-OG1 3.06Å
524	L	92.9	Very high	92.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.252	C	S	.	.			trans	-105.1	-11.4	-178.8	-63	178.5	0	0	0	112.7	L516 L517 I519 N526 L527 A532 M535 L536	L516-L524 HydrophobicContact CB-CD1 3.85Å; L517-L524 PolarHBondContact O-N 3.02Å; I519-L524 HydrophobicContact CB-CD1 4.23Å; I519-L524 HydrophobicContact CG2-CD1 3.95Å; I519-L524 HydrophobicContact CG2-CD2 3.84Å; I519-L524 HydrophobicContact CG2-CG 4.11Å; L524-N526 VanDerWaalsContact C-N 3.31Å; L524-N526 PolarHBondContact O-N 3.46Å; L524-L527 HydrophobicContact CD2-CD1 3.75Å; L524-L527 PolarHBondContact O-N 2.83Å; L524-A532 HydrophobicContact CD2-CB 4.35Å; L524-M535 HydrophobicContact CD2-CB 4.18Å; L524-L536 HydrophobicContact CD1-CD2 4.44Å
525	T	88.8	Confident	92.5	Very high	38 Å²	38	44.6 Å²	44.6	23%	0.233	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-31	-167.9	57.1	0	0	0	0	114.2	L517 D523 L592	L517-T525 HydrophobicContact CD2-CG2 4.01Å; D523-T525 VanDerWaalsContact CG-OG1 3.25Å; D523-T525 WeakPolarHBondContact OD1-CB 3.46Å; D523-T525 WeakPolarHBondContact OD1-CG2 3.44Å; D523-T525 PolarHBondContact OD1-N 3.33Å; D523-T525 PolarHBondContact OD1-OG1 3.03Å; D523-T525 PolarHBondContact OD2-OG1 3.13Å; D523-T525 VanDerWaalsContact OD2-OG1 3.06Å; T525-L592 HydrophobicContact CG2-CD2 3.71Å
526	N	84.9	Confident	92.4	Very high	110 Å²	110	45.6 Å²	45.6	59%	0.588	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	11	-176.7	-72.5	-54.3	0	0	0	114.2	R484 L524	R484-N526 PolarHBondContact NH1-O 2.95Å; L524-N526 VanDerWaalsContact C-N 3.31Å; L524-N526 PolarHBondContact O-N 3.46Å
527	L	90.6	Very high	92.2	Very high	40 Å²	40	52.7 Å²	52.7	21%	0.209	30%	0.3	C	S	.	.			trans	-85.1	149.3	-178.7	-63	-172	0	0	0	111.7	G483 R484 L524 E531 A532 M535	G483-L527 WeakPolarHBondContact CA-O 3.44Å; R484-L527 PolarHBondContact N-O 2.85Å; L524-L527 HydrophobicContact CD2-CD1 3.75Å; L524-L527 PolarHBondContact O-N 2.83Å; L527-E531 HydrophobicContact CB-CB 4.02Å; L527-E531 HydrophobicContact CD1-CB 4.34Å; L527-E531 HydrophobicContact CD2-CB 4.33Å; L527-E531 HydrophobicContact CG-CB 4.47Å; L527-A532 HydrophobicContact CB-CB 4.26Å; L527-M535 HydrophobicContact CD1-CG 3.99Å
528	S	91	Very high	91.9	Very high	19 Å²	19	54.6 Å²	54.6	13%	0.133	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-65.8	160.4	163.3	66.1	0	0	0	0	110.6	S530 E531 A532	S528-S530 VanDerWaalsContact C-N 3.27Å; S528-S530 PolarHBondContact O-N 3.03Å; S528-S530 PolarHBondContact OG-OG 3.27Å; S528-E531 VanDerWaalsContact CB-OE2 3.24Å; S528-E531 WeakPolarHBondContact CB-OE2 3.3Å; S528-E531 PolarHBondContact N-OE2 3.31Å; S528-E531 PolarHBondContact O-N 3.01Å; S528-E531 VanDerWaalsContact O-N 3.16Å; S528-E531 WeakPolarHBondContact OG-CB 3.17Å; S528-E531 WeakPolarHBondContact OG-CG 3.26Å; S528-E531 PolarHBondContact OG-N 2.91Å; S528-E531 PolarHBondContact OG-OE2 2.79Å; S528-A532 PolarHBondContact O-N 3.29Å
529	H	90.3	Very high	91.4	Very high	75 Å²	75	53.6 Å²	53.6	35%	0.347	32%	0.315	S	S	.	.	H	α-helix	trans	-50.3	-48.3	175.8	-175.5	74.1	0	0	0	112.4	V480 G482 A532 V533	V480-H529 PolarHBondContact O-CE1 3.05Å; G482-H529 VanDerWaalsContact O-CB 3.23Å; G482-H529 WeakPolarHBondContact O-CB 3.36Å; G482-H529 PolarHBondContact O-ND1 3.1Å; G482-H529 VanDerWaalsContact O-ND1 3.08Å; H529-A532 PolarHBondContact O-N 3.04Å; H529-V533 WeakPolarHBondContact O-CB 3.46Å; H529-V533 VanDerWaalsContact O-CG2 3.26Å; H529-V533 WeakPolarHBondContact O-CG2 3.26Å; H529-V533 PolarHBondContact O-N 2.89Å
530	S	92.4	Very high	90.7	Very high	85 Å²	85	55 Å²	55	59%	0.594	33%	0.327	S	S	*	.	H	α-helix	trans	-65.5	-39.5	-178.9	43	0	0	0	0	113.1	S528 A534	S528-S530 VanDerWaalsContact C-N 3.27Å; S528-S530 PolarHBondContact O-N 3.03Å; S528-S530 PolarHBondContact OG-OG 3.27Å; S530-A534 WeakPolarHBondContact O-CB 3.38Å; S530-A534 PolarHBondContact O-N 3.49Å
531	E	94.3	Very high	90.1	Very high	87 Å²	87	55.5 Å²	55.5	41%	0.407	34%	0.34	S	S	.	.	H	α-helix	trans	-66.2	-48.2	177.6	-73.1	162.8	145.6	0	0	110.2	L527 S528 V533 A534 M535	L527-E531 HydrophobicContact CB-CB 4.02Å; L527-E531 HydrophobicContact CD1-CB 4.34Å; L527-E531 HydrophobicContact CD2-CB 4.33Å; L527-E531 HydrophobicContact CG-CB 4.47Å; S528-E531 VanDerWaalsContact CB-OE2 3.24Å; S528-E531 WeakPolarHBondContact CB-OE2 3.3Å; S528-E531 PolarHBondContact N-OE2 3.31Å; S528-E531 PolarHBondContact O-N 3.01Å; S528-E531 VanDerWaalsContact O-N 3.16Å; S528-E531 WeakPolarHBondContact OG-CB 3.17Å; S528-E531 WeakPolarHBondContact OG-CG 3.26Å; S528-E531 PolarHBondContact OG-N 2.91Å; S528-E531 PolarHBondContact OG-OE2 2.79Å; E531-V533 VanDerWaalsContact C-N 3.35Å; E531-V533 PolarHBondContact O-N 2.93Å; E531-A534 WeakPolarHBondContact O-CB 3.39Å; E531-A534 PolarHBondContact O-N 2.63Å; E531-A534 VanDerWaalsContact O-N 3.12Å; E531-M535 WeakPolarHBondContact O-CG 3.47Å; E531-M535 PolarHBondContact O-N 2.77Å
532	A	93.2	Very high	89.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-45.6	176.9	0	0	0	0	0	111.8	I493 L524 L527 S528 H529 A534 M535 L536	I493-A532 HydrophobicContact CD1-CB 3.42Å; I493-A532 VanDerWaalsContact CD1-CB 3.42Å; I493-A532 HydrophobicContact CG1-CB 3.6Å; I493-A532 HydrophobicContact CG2-CB 4.37Å; L524-A532 HydrophobicContact CD2-CB 4.35Å; L527-A532 HydrophobicContact CB-CB 4.26Å; S528-A532 PolarHBondContact O-N 3.29Å; H529-A532 PolarHBondContact O-N 3.04Å; A532-A534 VanDerWaalsContact C-N 3.31Å; A532-A534 PolarHBondContact O-N 2.83Å; A532-M535 PolarHBondContact O-N 3.2Å; A532-M535 VanDerWaalsContact O-N 3.17Å; A532-L536 VanDerWaalsContact O-CG 3.29Å; A532-L536 WeakPolarHBondContact O-CG 3.33Å; A532-L536 PolarHBondContact O-N 2.94Å
533	V	92.8	Very high	89.7	Confident	32 Å²	32	54.2 Å²	54.2	19%	0.194	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-39.3	175.7	169.7	0	0	0	0	111.6	V480 H529 E531 M535 L536 K537	V480-V533 HydrophobicContact CG2-CG2 3.94Å; H529-V533 WeakPolarHBondContact O-CB 3.46Å; H529-V533 VanDerWaalsContact O-CG2 3.26Å; H529-V533 WeakPolarHBondContact O-CG2 3.26Å; H529-V533 PolarHBondContact O-N 2.89Å; E531-V533 VanDerWaalsContact C-N 3.35Å; E531-V533 PolarHBondContact O-N 2.93Å; V533-M535 VanDerWaalsContact C-N 3.35Å; V533-L536 PolarHBondContact O-N 2.86Å; V533-K537 HydrophobicContact CG1-CD 3.97Å; V533-K537 HydrophobicContact CG1-CG 4.37Å; V533-K537 WeakPolarHBondContact O-CB 3.41Å; V533-K537 VanDerWaalsContact O-CG 3.31Å; V533-K537 WeakPolarHBondContact O-CG 3.46Å; V533-K537 PolarHBondContact O-N 3.08Å
534	A	92.7	Very high	89.6	Confident	55 Å²	55	53.3 Å²	53.3	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-42.6	175.3	0	0	0	0	0	111.4	S530 E531 A532 K537 A538	S530-A534 WeakPolarHBondContact O-CB 3.38Å; S530-A534 PolarHBondContact O-N 3.49Å; E531-A534 WeakPolarHBondContact O-CB 3.39Å; E531-A534 PolarHBondContact O-N 2.63Å; E531-A534 VanDerWaalsContact O-N 3.12Å; A532-A534 VanDerWaalsContact C-N 3.31Å; A532-A534 PolarHBondContact O-N 2.83Å; A534-K537 PolarHBondContact O-N 2.85Å; A534-A538 WeakPolarHBondContact O-CB 3.21Å; A534-A538 PolarHBondContact O-N 2.77Å
535	M	93.9	Very high	89.7	Confident	57 Å²	57	53.3 Å²	53.3	28%	0.281	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-43.4	176.5	-60.7	-41.8	-54.4	0	0	112.5	I519 I522 L524 L527 E531 A532 V533 K537 A538 S539	I519-M535 HydrophobicContact CG2-CB 4.22Å; I522-M535 HydrophobicContact CB-CE 4.49Å; I522-M535 HydrophobicContact CD1-CE 3.15Å; I522-M535 HydrophobicContact CG1-CE 4.34Å; I522-M535 HydrophobicContact CG2-CE 4.09Å; I522-M535 HydrophobicContact CG2-CG 4.37Å; L524-M535 HydrophobicContact CD2-CB 4.18Å; L527-M535 HydrophobicContact CD1-CG 3.99Å; E531-M535 WeakPolarHBondContact O-CG 3.47Å; E531-M535 PolarHBondContact O-N 2.77Å; A532-M535 PolarHBondContact O-N 3.2Å; A532-M535 VanDerWaalsContact O-N 3.17Å; V533-M535 VanDerWaalsContact C-N 3.35Å; M535-K537 PolarHBondContact O-N 2.93Å; M535-A538 PolarHBondContact O-N 2.76Å; M535-S539 PolarHBondContact O-N 3.04Å
536	L	92.1	Very high	89.9	Confident	20 Å²	20	53.3 Å²	53.3	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-43.9	174.8	-67.8	173.7	0	0	0	111.3	L476 M478 V480 L516 I519 L524 A532 V533 S539	L476-L536 HydrophobicContact CD1-CD2 4.49Å; M478-L536 HydrophobicContact CE-CD2 4.32Å; V480-L536 HydrophobicContact CB-CD1 4.43Å; V480-L536 HydrophobicContact CG1-CD1 3.83Å; V480-L536 HydrophobicContact CG2-CD1 3.76Å; L516-L536 HydrophobicContact CD1-CD1 4.3Å; L516-L536 HydrophobicContact CD1-CD2 4.19Å; I519-L536 HydrophobicContact CB-CD2 4.48Å; I519-L536 HydrophobicContact CD1-CD2 3.61Å; I519-L536 HydrophobicContact CG2-CD2 4.45Å; L524-L536 HydrophobicContact CD1-CD2 4.44Å; A532-L536 VanDerWaalsContact O-CG 3.29Å; A532-L536 WeakPolarHBondContact O-CG 3.33Å; A532-L536 PolarHBondContact O-N 2.94Å; V533-L536 PolarHBondContact O-N 2.86Å; L536-S539 WeakPolarHBondContact O-CB 3.27Å; L536-S539 PolarHBondContact O-N 3.48Å; L536-S539 PolarHBondContact O-OG 2.79Å
537	K	90.4	Very high	90.5	Very high	149 Å²	149	48.2 Å²	48.2	65%	0.648	30%	0.302	S	S	*	.	H	α-helix	trans	-67.8	-37.9	177.2	-74.8	177.7	179	178.1	0	112.7	V533 A534 M535 S539 A540	V533-K537 HydrophobicContact CG1-CD 3.97Å; V533-K537 HydrophobicContact CG1-CG 4.37Å; V533-K537 WeakPolarHBondContact O-CB 3.41Å; V533-K537 VanDerWaalsContact O-CG 3.31Å; V533-K537 WeakPolarHBondContact O-CG 3.46Å; V533-K537 PolarHBondContact O-N 3.08Å; A534-K537 PolarHBondContact O-N 2.85Å; M535-K537 PolarHBondContact O-N 2.93Å; K537-S539 PolarHBondContact O-N 3.49Å; K537-A540 WeakPolarHBondContact O-CB 3.41Å; K537-A540 PolarHBondContact O-N 3.33Å
538	A	88.2	Confident	90.7	Very high	66 Å²	66	50.1 Å²	50.1	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-30.9	176.4	0	0	0	0	0	112.1	A534 M535 A540 A541	A534-A538 WeakPolarHBondContact O-CB 3.21Å; A534-A538 PolarHBondContact O-N 2.77Å; M535-A538 PolarHBondContact O-N 2.76Å; A538-A540 PolarHBondContact O-N 3.06Å; A538-A541 PolarHBondContact O-N 3.1Å
539	S	85.6	Confident	90.9	Very high	5 Å²	5	49.2 Å²	49.2	4%	0.035	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-65.6	-15.5	175	82.5	0	0	0	0	114.2	I519 M535 L536 K537 A541 S542	I519-S539 WeakPolarHBondContact CD1-OG 3.4Å; M535-S539 PolarHBondContact O-N 3.04Å; L536-S539 WeakPolarHBondContact O-CB 3.27Å; L536-S539 PolarHBondContact O-N 3.48Å; L536-S539 PolarHBondContact O-OG 2.79Å; K537-S539 PolarHBondContact O-N 3.49Å; S539-A541 PolarHBondContact O-N 3.15Å; S539-S542 WeakPolarHBondContact O-CB 3.38Å; S539-S542 PolarHBondContact O-N 3.07Å
540	A	80.1	Confident	91.1	Very high	31 Å²	31	46.2 Å²	46.2	26%	0.256	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-62	-24.9	179.6	0	0	0	0	0	113.2	K470 H473 K537 A538 S542	K470-A540 PolarHBondContact NZ-O 3.28Å; H473-A540 PolarHBondContact N-O 3.27Å; H473-A540 VanDerWaalsContact N-O 3.07Å; K537-A540 WeakPolarHBondContact O-CB 3.41Å; K537-A540 PolarHBondContact O-N 3.33Å; A538-A540 PolarHBondContact O-N 3.06Å; A540-S542 VanDerWaalsContact C-N 3.3Å
541	A	81	Confident	91	Very high	79 Å²	79	43.1 Å²	43.1	65%	0.653	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-74.7	-18.8	175.4	0	0	0	0	0	113.4	A538 S539	A538-A541 PolarHBondContact O-N 3.1Å; S539-A541 PolarHBondContact O-N 3.15Å
542	S	86.9	Confident	90.7	Very high	46 Å²	46	39.6 Å²	39.6	32%	0.322	25%	0.249	S	C	.	.			trans	-87.3	141.1	179.4	-168.3	0	0	0	0	111.5	K470 S539 A540 V544	K470-S542 WeakPolarHBondContact CE-O 3.47Å; K470-S542 PolarHBondContact NZ-O 3.5Å; K470-S542 VanDerWaalsContact NZ-O 3.1Å; S539-S542 WeakPolarHBondContact O-CB 3.38Å; S539-S542 PolarHBondContact O-N 3.07Å; A540-S542 VanDerWaalsContact C-N 3.3Å; S542-V544 VanDerWaalsContact C-N 3.31Å; S542-V544 WeakPolarHBondContact CB-O 3.39Å; S542-V544 PolarHBondContact OG-N 2.9Å; S542-V544 PolarHBondContact OG-O 3.1Å
543	S	88.4	Confident	90.1	Very high	65 Å²	65	44 Å²	44	46%	0.455	27%	0.27	S	S	.	.	S	Bend	trans	-81.6	-12.3	171.4	56.5	0	0	0	0	113	K469 K470	K469-S543 WeakPolarHBondContact CA-O 3.28Å; K470-S543 PolarHBondContact N-O 3.36Å; K470-S543 WeakPolarHBondContact O-CA 3.5Å
544	V	91.8	Very high	89.4	Confident	60 Å²	60	44.7 Å²	44.7	36%	0.364	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.3	175.6	-174.5	0	0	0	0	109	T467 V468 K469 S542	T467-V544 HydrophobicContact CG2-CG1 3.52Å; V468-V544 WeakPolarHBondContact O-CA 3.34Å; K469-V544 HydrophobicContact CG-CG2 4.36Å; S542-V544 VanDerWaalsContact C-N 3.31Å; S542-V544 WeakPolarHBondContact CB-O 3.39Å; S542-V544 PolarHBondContact OG-N 2.9Å; S542-V544 PolarHBondContact OG-O 3.1Å
545	V	93.4	Very high	88.5	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128	176.4	-178.7	0	0	0	0	108.9	T467 V468 K470 L476 I519 N520 L547	T467-V545 CarbonylContact C-O 3.59Å; T467-V545 WeakPolarHBondContact CA-O 3.17Å; V468-V545 PolarHBondContact N-O 2.87Å; V468-V545 PolarHBondContact O-N 3.23Å; K470-V545 HydrophobicContact CD-CG2 4.21Å; L476-V545 HydrophobicContact CD1-CG1 4.36Å; L476-V545 HydrophobicContact CD2-CB 4.12Å; L476-V545 HydrophobicContact CD2-CG1 4.14Å; L476-V545 HydrophobicContact CD2-CG2 4.1Å; I519-V545 HydrophobicContact CD1-CG1 3.74Å; I519-V545 HydrophobicContact CG1-CG1 3.83Å; N520-V545 WeakPolarHBondContact OD1-CA 3.19Å; V545-L547 HydrophobicContact CG1-CD2 4.29Å; V545-L547 HydrophobicContact CG1-CG 4.23Å
546	A	94.8	Very high	87	Confident	38 Å²	38	49 Å²	49	31%	0.314	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.6	172.8	0	0	0	0	0	109.4	I466 I519 N520	I466-A546 CarbonylContact O-C 3.53Å; I466-A546 WeakPolarHBondContact O-CA 3.37Å; I519-A546 CarbonylContact C-O 3.6Å; I519-A546 WeakPolarHBondContact CA-O 3.42Å; N520-A546 PolarHBondContact N-O 3.03Å; N520-A546 PolarHBondContact OD1-N 2.65Å
547	L	95.9	Very high	84.9	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.7	178.2	-65.6	170	0	0	0	109.3	I466 M478 L504 I510 N518 I519 V545	I466-L547 HydrophobicContact CB-CB 4.28Å; I466-L547 PolarHBondContact N-O 3.43Å; I466-L547 PolarHBondContact O-N 3.18Å; M478-L547 HydrophobicContact CE-CD1 4.03Å; L504-L547 HydrophobicContact CD1-CD1 4.22Å; L504-L547 HydrophobicContact CD2-CD1 3.93Å; I510-L547 HydrophobicContact CD1-CD1 4.46Å; I510-L547 HydrophobicContact CG1-CD1 4.29Å; N518-L547 WeakPolarHBondContact O-CA 3.26Å; I519-L547 HydrophobicContact CB-CD2 3.85Å; I519-L547 HydrophobicContact CD1-CD2 3.82Å; I519-L547 HydrophobicContact CG1-CD2 3.72Å; V545-L547 HydrophobicContact CG1-CD2 4.29Å; V545-L547 HydrophobicContact CG1-CG 4.23Å
548	K	95.8	Very high	82.3	Confident	80 Å²	80	56.1 Å²	56.1	35%	0.348	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.9	157.4	-57.5	-175.5	-179.8	-174.4	0	108.4	K464 H465 L517 N518	K464-K548 VanDerWaalsContact O-CA 3.31Å; K464-K548 WeakPolarHBondContact O-CA 3.33Å; H465-K548 WeakPolarHBondContact CE1-CE 3.46Å; L517-K548 HydrophobicContact CB-CB 4.23Å; L517-K548 PolarHBondContact N-O 3.08Å; N518-K548 HydrophobicContact CB-CB 3.79Å; N518-K548 HydrophobicContact CB-CD 4.13Å; N518-K548 HydrophobicContact CB-CG 4Å; N518-K548 PolarHBondContact N-O 3.33Å; N518-K548 VanDerWaalsContact N-O 3.09Å; N518-K548 PolarHBondContact O-N 2.99Å
549	A	95.3	Very high	79.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.3	179.1	0	0	0	0	0	110.3	E463 K464 I510 D514 V515 L516	E463-A549 CarbonylContact C-O 3.51Å; E463-A549 WeakPolarHBondContact CA-O 3.44Å; K464-A549 PolarHBondContact N-O 3.03Å; K464-A549 PolarHBondContact O-N 2.93Å; I510-A549 HydrophobicContact CD1-CB 3.79Å; D514-A549 HydrophobicContact CB-CB 4.46Å; V515-A549 CarbonylContact O-C 3.58Å; V515-A549 WeakPolarHBondContact O-CA 3.4Å; L516-A549 HydrophobicContact CD2-CB 4.06Å
550	L	93.5	Very high	77.4	Confident	12 Å²	12	67.7 Å²	67.7	6%	0.063	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.6	173.7	-168.8	72	0	0	0	108.2	C461 E463 D514 V515 L517 V552 L588 P589 L592	C461-L550 HydrophobicContact CB-CD1 4.06Å; C461-L550 HydrophobicContact CB-CD2 4.25Å; C461-L550 HydrophobicContact CB-CG 4.27Å; E463-L550 HydrophobicContact CB-CD1 4.31Å; D514-L550 WeakPolarHBondContact CA-O 3.35Å; V515-L550 HydrophobicContact CB-CB 4.23Å; V515-L550 PolarHBondContact N-O 2.97Å; V515-L550 PolarHBondContact O-N 2.96Å; L517-L550 HydrophobicContact CD1-CB 4.27Å; L517-L550 HydrophobicContact CD2-CB 4.48Å; L517-L550 HydrophobicContact CG-CB 4.41Å; L550-V552 HydrophobicContact CD2-CG2 4.06Å; L550-V552 HydrophobicContact CG-CG2 4.13Å; L550-L588 HydrophobicContact CD2-CD2 4.41Å; L550-P589 HydrophobicContact CD2-CG 3.92Å; L550-L592 HydrophobicContact CD2-CD1 3.71Å
551	E	91.6	Very high	75.1	Confident	20 Å²	20	71.4 Å²	71.4	9%	0.093	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.7	168.3	177.5	166.7	-152.4	0	0	108.9	C461 Q462 K464 K511 D514 Q553	C461-E551 CarbonylContact C-O 3.6Å; C461-E551 VanDerWaalsContact CA-O 3.31Å; C461-E551 WeakPolarHBondContact CA-O 3.21Å; Q462-E551 PolarHBondContact N-O 3.43Å; Q462-E551 PolarHBondContact O-N 2.76Å; K464-E551 HydrophobicContact CD-CB 4.2Å; K464-E551 VanDerWaalsContact CE-CB 3.44Å; K464-E551 WeakPolarHBondContact CE-OE2 3.49Å; K464-E551 VanDerWaalsContact NZ-CD 3.27Å; K464-E551 IonicContact NZ-OE1 3.48Å; K464-E551 IonicContact NZ-OE2 3.47Å; K464-E551 PolarHBondContact NZ-OE2 3.08Å; K511-E551 IonicContact NZ-OE1 2.79Å; K511-E551 PolarHBondContact NZ-OE1 3.11Å; K511-E551 VanDerWaalsContact NZ-OE1 3.13Å; D514-E551 WeakPolarHBondContact OD1-CA 3.21Å; D514-E551 WeakPolarHBondContact OD1-CB 3.48Å; E551-Q553 VanDerWaalsContact CD-NE2 3.3Å; E551-Q553 HydrophobicContact CG-CG 4.03Å; E551-Q553 PolarHBondContact OE1-NE2 2.83Å
552	V	86.6	Confident	72.8	Confident	13 Å²	13	74.8 Å²	74.8	8%	0.079	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114.2	179.8	-172.8	0	0	0	0	107.6	V459 T460 V515 L550 M584 L588	V459-V552 HydrophobicContact CB-CG1 4Å; V459-V552 HydrophobicContact CG1-CG1 4.24Å; V459-V552 HydrophobicContact CG2-CG1 4.16Å; T460-V552 WeakPolarHBondContact O-CA 3.47Å; V515-V552 HydrophobicContact CG2-CG2 4.35Å; L550-V552 HydrophobicContact CD2-CG2 4.06Å; L550-V552 HydrophobicContact CG-CG2 4.13Å; V552-M584 HydrophobicContact CB-CE 3.83Å; V552-M584 HydrophobicContact CB-CG 4.25Å; V552-M584 HydrophobicContact CG1-CE 4.36Å; V552-M584 HydrophobicContact CG1-CG 3.74Å; V552-L588 HydrophobicContact CG1-CD2 4.41Å; V552-L588 HydrophobicContact CG2-CD2 3.65Å
553	Q	82.6	Confident	70.6	Confident	93 Å²	93	81.1 Å²	81.1	44%	0.435	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.6	179.1	-64.3	177.8	4.1	0	0	109.7	V459 T460 E551	V459-Q553 CarbonylContact C-O 3.58Å; V459-Q553 WeakPolarHBondContact CA-O 3.3Å; V459-Q553 WeakPolarHBondContact CB-O 3.49Å; T460-Q553 PolarHBondContact N-O 3.02Å; T460-Q553 PolarHBondContact O-N 3.38Å; E551-Q553 VanDerWaalsContact CD-NE2 3.3Å; E551-Q553 HydrophobicContact CG-CG 4.03Å; E551-Q553 PolarHBondContact OE1-NE2 2.83Å
554	V	77.6	Confident	68	Low	46 Å²	46	86 Å²	86	28%	0.279	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130	174	-177.1	0	0	0	0	108.8	C458 V459 E556 V583 M584	C458-V554 WeakPolarHBondContact O-CA 3.27Å; V459-V554 HydrophobicContact CG1-CG2 4.29Å; V554-E556 PolarHBondContact O-N 3.18Å; V554-V583 HydrophobicContact CG1-CG1 4.31Å; V554-M584 HydrophobicContact CG2-CB 3.94Å
555	V	73.4	Confident	65.5	Low	65 Å²	65	91.4 Å²	91.4	39%	0.394	47%	0.469	S	S	.	.			trans	-84	96.2	178.2	-176.7	0	0	0	0	108.6	C458 T460	C458-V555 PolarHBondContact O-N 3.41Å; T460-V555 HydrophobicContact CG2-CG2 3.87Å
556	E	61.6	Low	62.6	Low	137 Å²	137	97.1 Å²	97.1	64%	0.64	50%	0.498	S	S	*	.			trans	-82.6	119.9	173.1	-67	-171.6	163.3	0	0	110.4	N292 V554 Q558	N292-E556 PolarHBondContact ND2-OE1 3.37Å; V554-E556 PolarHBondContact O-N 3.18Å; E556-Q558 PolarHBondContact O-N 3.5Å
557	E	49.7	Very low	59.5	Low	140 Å²	140	102.9 Å²	102.9	65%	0.654	52%	0.524	S	S	*	.			trans	-72.8	108.4	167.1	-78.8	-174.5	158.1	0	0	108.9	K453 P559	K453-E557 WeakPolarHBondContact CE-OE1 3.39Å; K453-E557 VanDerWaalsContact NZ-CG 3.28Å; K453-E557 IonicContact NZ-OE1 3.78Å; K453-E557 PolarHBondContact NZ-OE1 3.3Å; K453-E557 IonicContact NZ-OE2 3.58Å; E557-P559 WeakPolarHBondContact O-CD 3.1Å
558	Q	35	Very low	56.6	Low	178 Å²	178	109 Å²	109	83%	0.832	56%	0.562	S	S	*	*			trans	-69	122.2	168.8	-70.4	-164.4	-17.1	0	0	109.8	E556 Q560	E556-Q558 PolarHBondContact O-N 3.5Å; Q558-Q560 PolarHBondContact O-N 3.04Å
559	P	36.8	Very low	53.6	Low	122 Å²	122	110.8 Å²	110.8	79%	0.792	57%	0.574	S	S	*	*			trans	-71.5	120.5	168.4	-7.1	23.2	0	0	0	108.8	E557 S561	E557-P559 WeakPolarHBondContact O-CD 3.1Å; P559-S561 PolarHBondContact O-N 3.5Å; P559-S561 VanDerWaalsContact O-N 3.1Å
560	Q	34.3	Very low	50.7	Low	193 Å²	193	114.3 Å²	114.3	90%	0.902	60%	0.598	S	S	*	*			trans	-71.1	97.3	166	-72	-175.8	-20.2	0	0	109.4	Q558	Q558-Q560 PolarHBondContact O-N 3.04Å
561	S	31.8	Very low	47.8	Very low	109 Å²	109	122.7 Å²	122.7	76%	0.762	64%	0.637	S	S	*	*	S	Bend	trans	174.5	111.4	137.2	37.9	0	0	0	0	112.8	P559	P559-S561 PolarHBondContact O-N 3.5Å; P559-S561 VanDerWaalsContact O-N 3.1Å
562	N	32	Very low	44.9	Very low	150 Å²	150	127.3 Å²	127.3	80%	0.802	66%	0.663	S	S	*	*			trans	33.2	105.6	153.1	-65.8	3.4	0	0	0	121.7
563	E	40.8	Very low	42.7	Very low	179 Å²	179	133.6 Å²	133.6	84%	0.836	69%	0.691	S	S	*	*				47.1	127.9	129.9	-59.5	-176.2	157.1	0	0	118.5
564	E	34.3	Very low	40.9	Very low	167 Å²	167	136.2 Å²	136.2	78%	0.78	70%	0.698	S	S	*	*			cis	-154.1	146.9	45.5	-72	176.4	144.3	0	0	111.7
565	Q	38.4	Very low	39.4	Very low	174 Å²	174	137.9 Å²	137.9	81%	0.813	71%	0.705	S	S	*	*	S	Bend	trans	70.9	78.6	157.7	-64.1	170.9	4.9	0	0	119.5
566	L	33.6	Very low	38	Very low	121 Å²	121	139.9 Å²	139.9	63%	0.634	73%	0.728	S	S	*	*				-159.5	39.4	125.3	-132.8	87.8	0	0	0	112
567	N	29.6	Very low	37.9	Very low	158 Å²	158	135.7 Å²	135.7	85%	0.845	71%	0.714	S	S	*	*			trans	-76.9	135.8	170.6	-85.4	-14.7	0	0	0	109.7
568	T	33.9	Very low	38.9	Very low	133 Å²	133	131.7 Å²	131.7	82%	0.816	69%	0.693	S	S	*	*			trans	63.1	76.7	177.6	50.6	0	0	0	0	115.1	S570	T568-S570 VanDerWaalsContact C-N 3.31Å; T568-S570 PolarHBondContact O-N 2.78Å
569	I	33.9	Very low	40.6	Very low	117 Å²	117	124.6 Å²	124.6	60%	0.6	66%	0.664	S	S	*	*			trans	-59.1	111.9	139.2	-61.8	173.7	0	0	0	104.2	A296 E571	A296-I569 HydrophobicContact CB-CD1 4.43Å; I569-E571 PolarHBondContact O-N 3.19Å; I569-E571 VanDerWaalsContact O-N 3.11Å
570	S	33.6	Very low	42.4	Very low	73 Å²	73	118.9 Å²	118.9	51%	0.51	63%	0.626	S	S	.	*			trans	-34	117.8	175.1	-179	0	0	0	0	110	T568 N572	T568-S570 VanDerWaalsContact C-N 3.31Å; T568-S570 PolarHBondContact O-N 2.78Å; S570-N572 PolarHBondContact O-N 2.61Å; S570-N572 PolarHBondContact OG-OD1 3.36Å; S570-N572 VanDerWaalsContact OG-OD1 3.11Å
571	E	32.8	Very low	44.7	Very low	188 Å²	188	110.1 Å²	110.1	88%	0.879	59%	0.586	S	S	*	*			trans	-59.8	76.8	153.2	-70.7	-170.7	152.5	0	0	106.2	I569 E573	I569-E571 PolarHBondContact O-N 3.19Å; I569-E571 VanDerWaalsContact O-N 3.11Å; E571-E573 PolarHBondContact O-N 3.43Å
572	N	30.9	Very low	47.1	Very low	118 Å²	118	105 Å²	105	63%	0.631	55%	0.55	S	S	*	*			trans	-63.4	100.9	162.3	-86.9	-25.5	0	0	0	104.8	S570 Y574	S570-N572 PolarHBondContact O-N 2.61Å; S570-N572 PolarHBondContact OG-OD1 3.36Å; S570-N572 VanDerWaalsContact OG-OD1 3.11Å; N572-Y574 PolarHBondContact O-N 3.39Å
573	E	40.8	Very low	49.5	Very low	145 Å²	145	98 Å²	98	68%	0.678	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	132	158.7	-78.2	-179.6	123.9	0	0	107.3	E571	E571-E573 PolarHBondContact O-N 3.43Å
574	Y	44.4	Very low	51.5	Low	148 Å²	148	90.1 Å²	90.1	58%	0.58	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	33.3	176.8	-47.4	-85.4	0	0	0	118.8	P500 N572 A576	P500-Y574 WeakPolarHBondContact CD-OH 3.49Å; P500-Y574 HydrophobicContact CG-CE1 4.18Å; P500-Y574 HydrophobicContact CG-CE2 4.08Å; P500-Y574 VanDerWaalsContact CG-CZ 3.46Å; P500-Y574 WeakPolarHBondContact CG-OH 3.49Å; N572-Y574 PolarHBondContact O-N 3.39Å; Y574-A576 PolarHBondContact O-N 2.84Å; Y574-A576 VanDerWaalsContact O-N 3.14Å
575	D	45.7	Very low	53.8	Low	81 Å²	81	82.2 Å²	82.2	43%	0.433	44%	0.44	S	S	.	.			trans	-73.9	102.8	159.6	-163.9	7.6	0	0	0	110.9	S577 W578	D575-S577 PolarHBondContact O-N 2.89Å; D575-S577 PolarHBondContact OD1-N 2.99Å; D575-S577 PolarHBondContact OD1-OG 3.25Å; D575-S577 VanDerWaalsContact OD1-OG 3.11Å; D575-W578 PolarHBondContact O-N 3.39Å
576	A	45.1	Very low	55.8	Low	106 Å²	106	74.7 Å²	74.7	88%	0.876	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-9.2	179.7	0	0	0	0	0	113.3	Y574	Y574-A576 PolarHBondContact O-N 2.84Å; Y574-A576 VanDerWaalsContact O-N 3.14Å
577	S	58.3	Low	58	Low	49 Å²	49	69.4 Å²	69.4	34%	0.343	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	12.3	178.2	70.1	0	0	0	0	114.4	E239 D575 S579	E239-S577 WeakPolarHBondContact OE1-CB 3.36Å; E239-S577 PolarHBondContact OE1-OG 3.2Å; D575-S577 PolarHBondContact O-N 2.89Å; D575-S577 PolarHBondContact OD1-N 2.99Å; D575-S577 PolarHBondContact OD1-OG 3.25Å; D575-S577 VanDerWaalsContact OD1-OG 3.11Å; S577-S579 PolarHBondContact O-N 3.04Å; S577-S579 VanDerWaalsContact O-N 3.09Å
578	W	70.6	Confident	60.5	Low	56 Å²	56	62.3 Å²	62.3	21%	0.212	34%	0.341	C	S	.	.			trans	-59	120	179.8	-168.8	67.1	0	0	0	113.6	F494 R512 G513 D575 P580 M584	F494-W578 HydrophobicContact CD2-CZ3 4.05Å; F494-W578 HydrophobicContact CE2-CE3 4.24Å; F494-W578 HydrophobicContact CE2-CZ3 4.01Å; R512-W578 HydrophobicContact CG-CD2 3.99Å; R512-W578 HydrophobicContact CG-CE3 3.88Å; R512-W578 HydrophobicContact CG-CH2 4.38Å; R512-W578 HydrophobicContact CG-CZ2 4.47Å; R512-W578 HydrophobicContact CG-CZ3 4.09Å; R512-W578 VanDerWaalsContact CZ-CD1 3.42Å; R512-W578 VanDerWaalsContact NE-CD2 3.25Å; G513-W578 VanDerWaalsContact CA-CH2 3.42Å; D575-W578 PolarHBondContact O-N 3.39Å; W578-P580 HydrophobicContact CH2-CB 3.7Å; W578-P580 HydrophobicContact CH2-CG 4.2Å; W578-P580 HydrophobicContact CZ2-CB 4.24Å; W578-P580 HydrophobicContact CZ3-CB 4.1Å; W578-P580 HydrophobicContact CZ3-CG 4.08Å; W578-M584 HydrophobicContact CH2-SD 4.43Å
579	S	70.8	Confident	62.8	Low	30 Å²	30	58.1 Å²	58.1	21%	0.21	32%	0.316	C	S	.	.			trans	-111.9	134.3	164.9	66.6	0	0	0	0	110.7	S577	S577-S579 PolarHBondContact O-N 3.04Å; S577-S579 VanDerWaalsContact O-N 3.09Å
580	P	76	Confident	64.9	Low	2 Å²	2	57.3 Å²	57.3	1%	0.013	32%	0.322	C	S	.	.			trans	-60.4	152.3	167.9	20.1	-29.5	0	0	0	112.2	F494 W578 M584 W585	F494-P580 HydrophobicContact CD2-CG 4.33Å; F494-P580 HydrophobicContact CE2-CG 3.94Å; F494-P580 HydrophobicContact CZ-CG 4.06Å; W578-P580 HydrophobicContact CH2-CB 3.7Å; W578-P580 HydrophobicContact CH2-CG 4.2Å; W578-P580 HydrophobicContact CZ2-CB 4.24Å; W578-P580 HydrophobicContact CZ3-CB 4.1Å; W578-P580 HydrophobicContact CZ3-CG 4.08Å; P580-M584 HydrophobicContact CB-CE 4.26Å; P580-M584 HydrophobicContact CB-CG 4.49Å; P580-M584 HydrophobicContact CB-SD 3.38Å; P580-M584 WeakPolarHBondContact CB-SD 3.24Å; P580-W585 HydrophobicContact CB-CD2 4.43Å; P580-W585 HydrophobicContact CB-CH2 4.38Å; P580-W585 HydrophobicContact CB-CZ2 3.84Å; P580-W585 HydrophobicContact CG-CD2 4.28Å; P580-W585 HydrophobicContact CG-CH2 3.66Å; P580-W585 HydrophobicContact CG-CZ2 2.91Å
581	S	80.8	Confident	67.1	Low	9 Å²	9	58.7 Å²	58.7	6%	0.063	33%	0.33	C	S	.	.			trans	-71.7	152.9	-177.7	71.1	0	0	0	0	112.2	N292 V583 M584 W585 S685	N292-S581 VanDerWaalsContact OD1-CB 3.31Å; N292-S581 WeakPolarHBondContact OD1-CB 3.44Å; S581-V583 PolarHBondContact O-N 3Å; S581-M584 WeakPolarHBondContact O-CB 3.16Å; S581-M584 PolarHBondContact O-N 2.95Å; S581-M584 VanDerWaalsContact O-N 3.15Å; S581-M584 WeakPolarHBondContact OG-CB 3.32Å; S581-M584 PolarHBondContact OG-N 3.42Å; S581-W585 PolarHBondContact O-N 2.94Å; S581-S685 WeakPolarHBondContact CA-OG 3.37Å
582	W	82.6	Confident	69.5	Low	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.6	-35.1	173	-176.3	81	0	0	0	113.2	V245 T250 L252 W585 L586 F626 W682 S685	V245-W582 HydrophobicContact CG1-CG 4.32Å; T250-W582 HydrophobicContact CG2-CE3 3.75Å; T250-W582 HydrophobicContact CG2-CH2 4.12Å; T250-W582 HydrophobicContact CG2-CZ3 3.16Å; L252-W582 HydrophobicContact CD1-CH2 4.46Å; L252-W582 HydrophobicContact CD1-CZ2 4.37Å; W582-W585 WeakPolarHBondContact O-CB 3.29Å; W582-W585 PolarHBondContact O-N 3.28Å; W582-L586 HydrophobicContact CD2-CD1 4.24Å; W582-L586 HydrophobicContact CD2-CG 4.08Å; W582-L586 HydrophobicContact CE3-CD1 3.74Å; W582-L586 HydrophobicContact CE3-CG 3.99Å; W582-L586 HydrophobicContact CH2-CD1 3.21Å; W582-L586 HydrophobicContact CH2-CD2 4.33Å; W582-L586 HydrophobicContact CH2-CG 3.98Å; W582-L586 HydrophobicContact CZ2-CD1 3.71Å; W582-L586 HydrophobicContact CZ2-CD2 3.98Å; W582-L586 HydrophobicContact CZ2-CG 4.01Å; W582-L586 HydrophobicContact CZ3-CD1 3.11Å; W582-L586 HydrophobicContact CZ3-CG 3.85Å; W582-L586 PolarHBondContact O-N 3.38Å; W582-F626 HydrophobicContact CZ2-CD1 4.36Å; W582-F626 HydrophobicContact CZ2-CE1 4.32Å; W582-W682 AromaticContact NE1-CG 3.97Å; W582-S685 PolarHBondContact N-OG 2.73Å; W582-S685 VanDerWaalsContact N-OG 3.1Å
583	V	81.9	Confident	71.9	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-41.7	177.1	178.4	0	0	0	0	111.7	E249 T250 H291 C458 V554 S581 W585 L586 G587	E249-V583 HydrophobicContact CG-CG1 4.49Å; E249-V583 HydrophobicContact CG-CG2 3.9Å; T250-V583 HydrophobicContact CG2-CG2 4.2Å; H291-V583 HydrophobicContact CB-CG2 3.69Å; C458-V583 HydrophobicContact CB-CG1 4.01Å; V554-V583 HydrophobicContact CG1-CG1 4.31Å; S581-V583 PolarHBondContact O-N 3Å; V583-W585 PolarHBondContact O-N 3.34Å; V583-L586 PolarHBondContact O-N 3.28Å; V583-G587 PolarHBondContact O-N 3.26Å
584	M	84.1	Confident	73.8	Confident	12 Å²	12	41.3 Å²	41.3	6%	0.059	25%	0.249	C	C	.	.	H	α-helix	trans	-56.7	-39.9	174.7	179.9	-178.8	172.1	0	0	111.1	G513 V552 V554 W578 P580 S581	G513-M584 WeakPolarHBondContact O-CE 3.33Å; V552-M584 HydrophobicContact CB-CE 3.83Å; V552-M584 HydrophobicContact CB-CG 4.25Å; V552-M584 HydrophobicContact CG1-CE 4.36Å; V552-M584 HydrophobicContact CG1-CG 3.74Å; V554-M584 HydrophobicContact CG2-CB 3.94Å; W578-M584 HydrophobicContact CH2-SD 4.43Å; P580-M584 HydrophobicContact CB-CE 4.26Å; P580-M584 HydrophobicContact CB-CG 4.49Å; P580-M584 HydrophobicContact CB-SD 3.38Å; P580-M584 WeakPolarHBondContact CB-SD 3.24Å; S581-M584 WeakPolarHBondContact O-CB 3.16Å; S581-M584 PolarHBondContact O-N 2.95Å; S581-M584 VanDerWaalsContact O-N 3.15Å; S581-M584 WeakPolarHBondContact OG-CB 3.32Å; S581-M584 PolarHBondContact OG-N 3.42Å
585	W	82.9	Confident	75.8	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-72.4	-43.3	-179.5	-70.4	142.9	0	0	0	114.4	L491 P492 F494 V515 P580 S581 W582 V583 G587 L588 W682	L491-W585 HydrophobicContact CB-CZ2 4.35Å; L491-W585 HydrophobicContact CD1-CZ2 3.56Å; L491-W585 HydrophobicContact CD2-CD2 3.88Å; L491-W585 HydrophobicContact CD2-CG 4.14Å; L491-W585 HydrophobicContact CD2-CH2 4.47Å; L491-W585 HydrophobicContact CD2-CZ2 3.78Å; L491-W585 HydrophobicContact CG-CZ2 4.1Å; P492-W585 HydrophobicContact CG-CH2 4.37Å; P492-W585 HydrophobicContact CG-CZ3 4.05Å; F494-W585 HydrophobicContact CB-CH2 4.13Å; F494-W585 AromaticContact CD1-CH2 3.58Å; F494-W585 HydrophobicContact CD1-CH2 3.58Å; F494-W585 AromaticContact CD1-CZ2 3.85Å; F494-W585 HydrophobicContact CD1-CZ2 3.85Å; F494-W585 HydrophobicContact CE1-CH2 4.08Å; F494-W585 AromaticContact CE1-CZ2 3.85Å; F494-W585 HydrophobicContact CE1-CZ2 3.85Å; F494-W585 AromaticContact CG-CH2 3.85Å; F494-W585 HydrophobicContact CG-CH2 3.85Å; F494-W585 HydrophobicContact CG-CZ2 4.34Å; F494-W585 HydrophobicContact CZ-CZ2 4.32Å; V515-W585 HydrophobicContact CG2-CZ3 4.09Å; P580-W585 HydrophobicContact CB-CD2 4.43Å; P580-W585 HydrophobicContact CB-CH2 4.38Å; P580-W585 HydrophobicContact CB-CZ2 3.84Å; P580-W585 HydrophobicContact CG-CD2 4.28Å; P580-W585 HydrophobicContact CG-CH2 3.66Å; P580-W585 HydrophobicContact CG-CZ2 2.91Å; S581-W585 PolarHBondContact O-N 2.94Å; W582-W585 WeakPolarHBondContact O-CB 3.29Å; W582-W585 PolarHBondContact O-N 3.28Å; V583-W585 PolarHBondContact O-N 3.34Å; W585-G587 PolarHBondContact O-N 3.15Å; W585-L588 HydrophobicContact CE3-CD1 3.43Å; W585-L588 VanDerWaalsContact CE3-CD1 3.43Å; W585-L588 HydrophobicContact CE3-CD2 4.42Å; W585-L588 HydrophobicContact CE3-CG 3.96Å; W585-L588 HydrophobicContact CZ3-CD1 3.75Å; W585-L588 HydrophobicContact CZ3-CG 4.46Å; W585-L588 WeakPolarHBondContact O-CB 3.23Å; W585-L588 WeakPolarHBondContact O-CG 3.41Å; W585-L588 PolarHBondContact O-N 3.01Å; W585-L588 VanDerWaalsContact O-N 3.09Å; W585-W682 HydrophobicContact CB-CD2 4.41Å; W585-W682 HydrophobicContact CB-CE3 3.6Å; W585-W682 HydrophobicContact CB-CH2 4.17Å; W585-W682 HydrophobicContact CB-CZ3 3.49Å; W585-W682 VanDerWaalsContact CB-CZ3 3.49Å; W585-W682 HydrophobicContact CG-CE3 4.27Å; W585-W682 HydrophobicContact CG-CZ3 4.18Å; W585-W682 WeakPolarHBondContact O-CH2 3.4Å
586	L	79	Confident	77.7	Confident	15 Å²	15	36.2 Å²	36.2	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-57.8	-30.9	173.9	-77.3	-162.2	0	0	0	113.9	L455 W582 V583 L588 F626 W682	L455-L586 HydrophobicContact CD1-CD1 4.24Å; L455-L586 HydrophobicContact CD2-CB 4.49Å; L455-L586 HydrophobicContact CD2-CD1 3.62Å; W582-L586 HydrophobicContact CD2-CD1 4.24Å; W582-L586 HydrophobicContact CD2-CG 4.08Å; W582-L586 HydrophobicContact CE3-CD1 3.74Å; W582-L586 HydrophobicContact CE3-CG 3.99Å; W582-L586 HydrophobicContact CH2-CD1 3.21Å; W582-L586 HydrophobicContact CH2-CD2 4.33Å; W582-L586 HydrophobicContact CH2-CG 3.98Å; W582-L586 HydrophobicContact CZ2-CD1 3.71Å; W582-L586 HydrophobicContact CZ2-CD2 3.98Å; W582-L586 HydrophobicContact CZ2-CG 4.01Å; W582-L586 HydrophobicContact CZ3-CD1 3.11Å; W582-L586 HydrophobicContact CZ3-CG 3.85Å; W582-L586 PolarHBondContact O-N 3.38Å; V583-L586 PolarHBondContact O-N 3.28Å; L586-L588 VanDerWaalsContact C-N 3.26Å; L586-L588 PolarHBondContact O-N 3.11Å; L586-F626 HydrophobicContact CD1-CE1 4.37Å; L586-F626 HydrophobicContact CD1-CZ 4.25Å; L586-F626 HydrophobicContact CD2-CE1 3.67Å; L586-F626 HydrophobicContact CD2-CZ 4.05Å; L586-W682 HydrophobicContact CD2-CD2 4.46Å; L586-W682 HydrophobicContact CD2-CG 4.4Å; L586-W682 HydrophobicContact CD2-CZ2 4.36Å
587	G	80.1	Confident	79.9	Confident	10 Å²	10	35.6 Å²	35.6	10%	0.103	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.2	-179.1	0	0	0	0	0	114.5	V459 V583 W585	V459-G587 WeakPolarHBondContact CG2-O 3.36Å; V583-G587 PolarHBondContact O-N 3.26Å; W585-G587 PolarHBondContact O-N 3.15Å
588	L	82.1	Confident	81.6	Confident	9 Å²	9	33.4 Å²	33.4	5%	0.047	20%	0.201	C	C	.	.	S	Bend	trans	-64.8	150.3	178.9	-73	-176.5	0	0	0	112.2	P492 V515 L550 V552 W585 L586 S590 L592 H593	P492-L588 HydrophobicContact CG-CD1 3.87Å; V515-L588 HydrophobicContact CG2-CD2 4.32Å; L550-L588 HydrophobicContact CD2-CD2 4.41Å; V552-L588 HydrophobicContact CG1-CD2 4.41Å; V552-L588 HydrophobicContact CG2-CD2 3.65Å; W585-L588 HydrophobicContact CE3-CD1 3.43Å; W585-L588 VanDerWaalsContact CE3-CD1 3.43Å; W585-L588 HydrophobicContact CE3-CD2 4.42Å; W585-L588 HydrophobicContact CE3-CG 3.96Å; W585-L588 HydrophobicContact CZ3-CD1 3.75Å; W585-L588 HydrophobicContact CZ3-CG 4.46Å; W585-L588 WeakPolarHBondContact O-CB 3.23Å; W585-L588 WeakPolarHBondContact O-CG 3.41Å; W585-L588 PolarHBondContact O-N 3.01Å; W585-L588 VanDerWaalsContact O-N 3.09Å; L586-L588 VanDerWaalsContact C-N 3.26Å; L586-L588 PolarHBondContact O-N 3.11Å; L588-S590 PolarHBondContact O-N 2.99Å; L588-L592 HydrophobicContact CD1-CB 4.42Å; L588-L592 HydrophobicContact CD2-CD1 4.31Å; L588-H593 PolarHBondContact O-CE1 3.07Å; L588-H593 PolarHBondContact O-NE2 3.2Å; L588-H593 VanDerWaalsContact O-NE2 3.13Å
589	P	82.3	Confident	82.7	Confident	45 Å²	45	32.5 Å²	32.5	29%	0.292	20%	0.202	S	C	.	.			trans	-56.2	139.4	168	-25.1	34.5	0	0	0	111.4	L550 C591 L592	L550-P589 HydrophobicContact CD2-CG 3.92Å; P589-C591 PolarHBondContact O-N 2.84Å; P589-L592 WeakPolarHBondContact O-CB 3.49Å; P589-L592 PolarHBondContact O-N 3.23Å
590	S	78.6	Confident	83.8	Confident	101 Å²	101	31.1 Å²	31.1	71%	0.706	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-58.7	-23	-178	57	0	0	0	0	114.5	L588 L592 H593	L588-S590 PolarHBondContact O-N 2.99Å; S590-L592 PolarHBondContact O-N 3.14Å; S590-H593 WeakPolarHBondContact O-CB 3.27Å; S590-H593 PolarHBondContact O-N 2.99Å
591	C	79.3	Confident	84.4	Confident	102 Å²	102	39.3 Å²	39.3	69%	0.689	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-68.5	-15.6	174	62.1	0	0	0	0	114	P589	P589-C591 PolarHBondContact O-N 2.84Å
592	L	83.1	Confident	84.6	Confident	20 Å²	20	39.9 Å²	39.9	11%	0.105	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-97.4	-1.6	175.5	-57.1	-176.1	0	0	0	112.7	V515 L517 T525 L550 L588 P589 S590	V515-L592 HydrophobicContact CG1-CD1 4.29Å; L517-L592 HydrophobicContact CD2-CD1 4.07Å; L517-L592 HydrophobicContact CD2-CD2 3.65Å; T525-L592 HydrophobicContact CG2-CD2 3.71Å; L550-L592 HydrophobicContact CD2-CD1 3.71Å; L588-L592 HydrophobicContact CD1-CB 4.42Å; L588-L592 HydrophobicContact CD2-CD1 4.31Å; P589-L592 WeakPolarHBondContact O-CB 3.49Å; P589-L592 PolarHBondContact O-N 3.23Å; S590-L592 PolarHBondContact O-N 3.14Å
593	H	82.6	Confident	84.1	Confident	30 Å²	30	46.2 Å²	46.2	14%	0.139	27%	0.267	C	S	.	.			trans	-83.5	126	178.7	-62.3	172	0	0	0	110.5	L588 S590 I680 W682	L588-H593 PolarHBondContact O-CE1 3.07Å; L588-H593 PolarHBondContact O-NE2 3.2Å; L588-H593 VanDerWaalsContact O-NE2 3.13Å; S590-H593 WeakPolarHBondContact O-CB 3.27Å; S590-H593 PolarHBondContact O-N 2.99Å; H593-I680 HydrophobicContact CB-CD1 3.48Å; H593-I680 VanDerWaalsContact CB-CD1 3.48Å; H593-I680 HydrophobicContact CB-CG1 3.94Å; H593-I680 HydrophobicContact CB-CG2 4.02Å; H593-W682 AromaticContact CD2-CH2 3.46Å; H593-W682 VanDerWaalsContact CD2-CH2 3.46Å; H593-W682 WeakPolarHBondContact CD2-CH2 3.3Å; H593-W682 AromaticContact CD2-CZ2 3.76Å; H593-W682 AromaticContact CE1-CZ2 3.96Å; H593-W682 AromaticContact NE2-CH2 3.51Å; H593-W682 AromaticContact NE2-CZ2 3.59Å
594	S	80.7	Confident	83.7	Confident	35 Å²	35	51.2 Å²	51.2	25%	0.245	29%	0.294	C	S	.	.			trans	-89.4	114.4	172.7	-167.8	0	0	0	0	110.2	E490 H596	E490-S594 WeakPolarHBondContact OE2-CB 3.35Å; E490-S594 PolarHBondContact OE2-OG 2.78Å; S594-H596 PolarHBondContact O-ND1 2.8Å; S594-H596 PolarHBondContact OG-CE1 3.25Å
595	C	84.6	Confident	82.8	Confident	66 Å²	66	57.1 Å²	57.1	45%	0.446	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	139.1	-178.5	-59.2	0	0	0	0	111.5	T678 V679 I680	C595-T678 HydrophobicContact CB-CG2 3.91Å; C595-V679 CarbonylContact C-O 3.54Å; C595-V679 WeakPolarHBondContact CA-O 3.31Å; C595-I680 VanDerWaalsContact SG-CG1 3.56Å
596	H	85.6	Confident	82.3	Confident	57 Å²	57	58.5 Å²	58.5	26%	0.264	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.1	179.6	-60.9	81	0	0	0	112.2	E490 S594 T678 V679	E490-H596 WeakPolarHBondContact CG-CE1 3.3Å; E490-H596 IonicContact OE1-CE1 3.34Å; E490-H596 IonicContact OE1-NE2 3.74Å; E490-H596 PolarHBondContact OE1-NE2 2.84Å; E490-H596 IonicContact OE2-CE1 2.78Å; E490-H596 PolarHBondContact OE2-CE1 3.4Å; E490-H596 IonicContact OE2-NE2 3.01Å; E490-H596 PolarHBondContact OE2-NE2 3.42Å; S594-H596 PolarHBondContact O-ND1 2.8Å; S594-H596 PolarHBondContact OG-CE1 3.25Å; H596-T678 CarbonylContact O-C 3.39Å; H596-T678 WeakPolarHBondContact O-CA 3.43Å; H596-V679 PolarHBondContact N-O 2.95Å; H596-V679 PolarHBondContact O-N 2.9Å
597	D	92	Very high	82.6	Confident	92 Å²	92	61.8 Å²	61.8	49%	0.492	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.1	172	-78.6	-5.9	0	0	0	111.2	R641 T676 L677 T678	D597-R641 PolarHBondContact O-NH1 2.81Å; D597-T676 HydrophobicContact CB-CG2 3.91Å; D597-L677 WeakPolarHBondContact CA-O 3.44Å; D597-T678 WeakPolarHBondContact OD1-CB 3.46Å; D597-T678 PolarHBondContact OD1-OG1 2.94Å
598	V	93.2	Very high	82.9	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.018	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.2	169.2	-178.8	0	0	0	0	108.4	L600 R641 T676 L677 V679	V598-L600 HydrophobicContact CG1-CD2 3.77Å; V598-L600 HydrophobicContact CG1-CG 4.18Å; V598-R641 HydrophobicContact CG2-CB 4.18Å; V598-T676 WeakPolarHBondContact O-CA 3.48Å; V598-L677 PolarHBondContact N-O 3.18Å; V598-L677 PolarHBondContact O-N 2.91Å; V598-V679 HydrophobicContact CG2-CG2 3.77Å
599	V	94.4	Very high	83.2	Confident	37 Å²	37	61.4 Å²	61.4	22%	0.224	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	98.8	-178.4	-179.2	0	0	0	0	109	R601 K674 V675 T676	V599-R601 HydrophobicContact CG1-CG 4.42Å; V599-K674 HydrophobicContact CG1-CD 4.17Å; V599-K674 VanDerWaalsContact CG1-CE 3.41Å; V599-K674 HydrophobicContact CG1-CG 3.92Å; V599-V675 CarbonylContact C-O 3.47Å; V599-V675 WeakPolarHBondContact CA-O 3.21Å; V599-T676 HydrophobicContact CG2-CG2 4.17Å
600	L	93.3	Very high	83.6	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.6	175.9	-57.1	-179.2	0	0	0	110.1	V598 W608 F610 A636 D639 K674 V675 L677	V598-L600 HydrophobicContact CG1-CD2 3.77Å; V598-L600 HydrophobicContact CG1-CG 4.18Å; L600-W608 HydrophobicContact CB-CE3 3.8Å; L600-W608 HydrophobicContact CB-CZ3 3.95Å; L600-W608 HydrophobicContact CD1-CB 4.46Å; L600-F610 HydrophobicContact CD1-CD1 4.16Å; L600-F610 HydrophobicContact CD1-CE1 3.76Å; L600-A636 HydrophobicContact CD1-CB 4.06Å; L600-D639 HydrophobicContact CD2-CB 3.66Å; L600-K674 WeakPolarHBondContact O-CA 3.43Å; L600-V675 HydrophobicContact CB-CG1 3.86Å; L600-V675 HydrophobicContact CD1-CG1 4.42Å; L600-V675 HydrophobicContact CG-CG1 4.49Å; L600-V675 PolarHBondContact N-O 3.26Å; L600-V675 PolarHBondContact O-N 2.96Å; L600-L677 HydrophobicContact CD1-CD1 4.09Å
601	R	90.3	Very high	84	Confident	175 Å²	175	57.3 Å²	57.3	66%	0.66	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.6	178.1	-64	177	-178.5	-96.1	5.7	109.4	V599 N673	V599-R601 HydrophobicContact CG1-CG 4.42Å; R601-N673 WeakPolarHBondContact CA-O 3.29Å
602	R	84.9	Confident	84.5	Confident	21 Å²	21	53.5 Å²	53.5	8%	0.079	30%	0.301	C	S	.	.			trans	-131.3	141.6	176.9	68.1	-177.3	-175.9	178.7	1.8	110.5	N604 G606 W608 P635 K669 Q671 R672 N673	R602-N604 WeakPolarHBondContact CD-O 3.35Å; R602-N604 WeakPolarHBondContact CG-O 3.46Å; R602-N604 PolarHBondContact NE-O 2.83Å; R602-G606 VanDerWaalsContact CD-O 3.26Å; R602-G606 WeakPolarHBondContact CD-O 3.36Å; R602-G606 PolarHBondContact NH1-O 2.78Å; R602-W608 HydrophobicContact CB-CE3 4.29Å; R602-W608 HydrophobicContact CB-CH2 4.32Å; R602-W608 HydrophobicContact CB-CZ3 3.81Å; R602-W608 HydrophobicContact CG-CE3 4.13Å; R602-W608 HydrophobicContact CG-CH2 3.52Å; R602-W608 HydrophobicContact CG-CZ2 4.15Å; R602-W608 HydrophobicContact CG-CZ3 3.51Å; R602-P635 HydrophobicContact CB-CG 3.88Å; R602-K669 PolarHBondContact NH2-O 3.01Å; R602-Q671 VanDerWaalsContact CZ-O 3.31Å; R602-Q671 PolarHBondContact NH2-O 2.97Å; R602-R672 WeakPolarHBondContact CG-O 3.15Å; R602-R672 PolarHBondContact NE-O 3.04Å; R602-N673 PolarHBondContact N-O 2.85Å
603	S	72.2	Confident	84.7	Confident	132 Å²	132	54 Å²	54	92%	0.923	31%	0.305	S	S	*	.	S	Bend	trans	-88.6	-14.4	179.9	-47.8	0	0	0	0	112.9
604	N	71.7	Confident	84.8	Confident	110 Å²	110	53.7 Å²	53.7	59%	0.588	31%	0.31	S	S	*	.	S	Bend	trans	-134.2	167	179.7	61	28.6	0	0	0	110	R602 G606	R602-N604 WeakPolarHBondContact CD-O 3.35Å; R602-N604 WeakPolarHBondContact CG-O 3.46Å; R602-N604 PolarHBondContact NE-O 2.83Å; N604-G606 PolarHBondContact O-N 3.02Å; N604-G606 PolarHBondContact OD1-N 3.38Å; N604-G606 VanDerWaalsContact OD1-N 3.1Å
605	L	66.9	Low	84.7	Confident	136 Å²	136	52.5 Å²	52.5	71%	0.712	30%	0.303	S	S	*	.	S	Bend	trans	-74.3	15	177.5	-63.9	172.1	0	0	0	113.4
606	G	72.4	Confident	84.1	Confident	31 Å²	31	54 Å²	54	32%	0.32	30%	0.3	S	S	.	.	S	Bend	trans	-67.9	162.8	177.6	0	0	0	0	0	112.3	R602 N604	R602-G606 VanDerWaalsContact CD-O 3.26Å; R602-G606 WeakPolarHBondContact CD-O 3.36Å; R602-G606 PolarHBondContact NH1-O 2.78Å; N604-G606 PolarHBondContact O-N 3.02Å; N604-G606 PolarHBondContact OD1-N 3.38Å; N604-G606 VanDerWaalsContact OD1-N 3.1Å
607	S	83.5	Confident	83.3	Confident	85 Å²	85	56.6 Å²	56.6	59%	0.594	31%	0.312	S	S	*	.			trans	-51.3	146.5	-177.2	-177.3	0	0	0	0	113.1	G609	S607-G609 PolarHBondContact O-N 2.83Å; S607-G609 PolarHBondContact OG-N 3.38Å; S607-G609 VanDerWaalsContact OG-N 3.11Å
608	W	88.1	Confident	81.5	Confident	11 Å²	11	60.4 Å²	60.4	4%	0.042	33%	0.327	C	S	.	.			trans	-63.2	-19.9	169.4	-65.9	114.4	0	0	0	112.8	L600 R602 F610 A636 L668 Q671 V675	L600-W608 HydrophobicContact CB-CE3 3.8Å; L600-W608 HydrophobicContact CB-CZ3 3.95Å; L600-W608 HydrophobicContact CD1-CB 4.46Å; R602-W608 HydrophobicContact CB-CE3 4.29Å; R602-W608 HydrophobicContact CB-CH2 4.32Å; R602-W608 HydrophobicContact CB-CZ3 3.81Å; R602-W608 HydrophobicContact CG-CE3 4.13Å; R602-W608 HydrophobicContact CG-CH2 3.52Å; R602-W608 HydrophobicContact CG-CZ2 4.15Å; R602-W608 HydrophobicContact CG-CZ3 3.51Å; W608-F610 HydrophobicContact CB-CD1 3.87Å; W608-F610 HydrophobicContact CB-CE1 3.45Å; W608-F610 VanDerWaalsContact CB-CE1 3.45Å; W608-F610 HydrophobicContact CB-CZ 4.34Å; W608-F610 HydrophobicContact CG-CE1 4.29Å; W608-A636 WeakPolarHBondContact O-CB 3.38Å; W608-A636 PolarHBondContact O-N 3.38Å; W608-L668 PolarHBondContact NE1-O 2.82Å; W608-Q671 HydrophobicContact CZ2-CB 3.64Å; W608-Q671 WeakPolarHBondContact CZ2-O 3.24Å; W608-V675 HydrophobicContact CD2-CG1 3.65Å; W608-V675 HydrophobicContact CE3-CG1 3.75Å; W608-V675 HydrophobicContact CG-CG1 4.31Å; W608-V675 HydrophobicContact CH2-CB 4.18Å; W608-V675 HydrophobicContact CH2-CG1 3.84Å; W608-V675 HydrophobicContact CZ2-CB 3.9Å; W608-V675 HydrophobicContact CZ2-CG1 3.74Å; W608-V675 HydrophobicContact CZ3-CG1 3.84Å
609	G	87.2	Confident	79.4	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.357	C	S	.	.	S	Bend	trans	95.8	23.8	169.2	0	0	0	0	0	115.8	S607 I630 V631 T634	S607-G609 PolarHBondContact O-N 2.83Å; S607-G609 PolarHBondContact OG-N 3.38Å; S607-G609 VanDerWaalsContact OG-N 3.11Å; G609-I630 WeakPolarHBondContact O-CA 3.06Å; G609-V631 PolarHBondContact O-N 3.34Å; G609-T634 VanDerWaalsContact CA-CB 3.44Å; G609-T634 WeakPolarHBondContact CA-OG1 3.47Å; G609-T634 PolarHBondContact O-OG1 3.41Å
610	F	90.8	Very high	77.5	Confident	25 Å²	25	70 Å²	70	11%	0.11	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.4	174.6	62.4	-91	0	0	0	110.7	L600 W608 I612 I627 T629 I630 A636 L642 I648 L668 L677	L600-F610 HydrophobicContact CD1-CD1 4.16Å; L600-F610 HydrophobicContact CD1-CE1 3.76Å; W608-F610 HydrophobicContact CB-CD1 3.87Å; W608-F610 HydrophobicContact CB-CE1 3.45Å; W608-F610 VanDerWaalsContact CB-CE1 3.45Å; W608-F610 HydrophobicContact CB-CZ 4.34Å; W608-F610 HydrophobicContact CG-CE1 4.29Å; F610-I612 HydrophobicContact CD2-CG2 3.72Å; F610-I612 HydrophobicContact CE2-CG2 3.66Å; F610-I627 HydrophobicContact CB-CD1 4.46Å; F610-I627 HydrophobicContact CB-CG2 4.28Å; F610-I627 HydrophobicContact CD2-CD1 3.48Å; F610-I627 VanDerWaalsContact CD2-CD1 3.48Å; F610-I627 HydrophobicContact CE2-CD1 3.88Å; F610-I627 HydrophobicContact CG-CD1 4.08Å; F610-T629 CarbonylContact C-O 3.55Å; F610-T629 WeakPolarHBondContact CA-O 3.14Å; F610-T629 VanDerWaalsContact CB-O 3.32Å; F610-T629 WeakPolarHBondContact CB-O 3.24Å; F610-I630 HydrophobicContact CB-CG1 4.39Å; F610-A636 HydrophobicContact CB-CB 4.45Å; F610-A636 HydrophobicContact CD1-CB 3.97Å; F610-L642 HydrophobicContact CB-CD2 4.2Å; F610-L642 HydrophobicContact CD1-CD2 3.83Å; F610-L642 HydrophobicContact CE1-CD2 4.33Å; F610-L642 HydrophobicContact CG-CD2 3.97Å; F610-I648 HydrophobicContact CE2-CD1 4.24Å; F610-L668 HydrophobicContact CE2-CD1 4.15Å; F610-L668 HydrophobicContact CZ-CD1 4.19Å; F610-L668 HydrophobicContact CZ-CD2 4.35Å; F610-L677 HydrophobicContact CE1-CD1 3.86Å; F610-L677 HydrophobicContact CE2-CD1 4.5Å; F610-L677 HydrophobicContact CZ-CD1 3.7Å
611	S	87.5	Confident	75.8	Confident	35 Å²	35	72.6 Å²	72.6	25%	0.245	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	155.3	169.8	67.8	0	0	0	0	110.5	K628 T629	S611-K628 PolarHBondContact O-N 2.74Å; S611-T629 PolarHBondContact N-O 3.41Å; S611-T629 PolarHBondContact OG-N 3.44Å; S611-T629 PolarHBondContact OG-OG1 2.95Å
612	I	90.5	Very high	74.6	Confident	22 Å²	22	68.1 Å²	68.1	11%	0.113	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.2	-177.7	63.1	173.9	0	0	0	111.3	F610 F625 F626 I627 I648 L664 V665 L668	F610-I612 HydrophobicContact CD2-CG2 3.72Å; F610-I612 HydrophobicContact CE2-CG2 3.66Å; I612-F625 HydrophobicContact CD1-CD1 4.01Å; I612-F625 HydrophobicContact CD1-CE1 4.35Å; I612-F626 CarbonylContact C-O 3.59Å; I612-F626 WeakPolarHBondContact CA-O 3.04Å; I612-I627 HydrophobicContact CG2-CD1 4.14Å; I612-I648 HydrophobicContact CG2-CD1 3.73Å; I612-L664 HydrophobicContact CD1-CD2 3.68Å; I612-L664 HydrophobicContact CD1-CG 4.07Å; I612-V665 HydrophobicContact CD1-CG2 3.91Å; I612-V665 HydrophobicContact CG1-CG2 4.38Å; I612-L668 HydrophobicContact CD1-CD1 4.31Å
613	V	86.4	Confident	74.1	Confident	29 Å²	29	68.4 Å²	68.4	18%	0.176	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	163.2	168.2	-68.4	0	0	0	0	109.4	P251 L252 F625 F626 K628	P251-V613 HydrophobicContact CB-CG2 4.33Å; P251-V613 WeakPolarHBondContact O-CG2 3.15Å; L252-V613 HydrophobicContact CD2-CG2 3.94Å; V613-F625 VanDerWaalsContact O-CA 3.3Å; V613-F625 WeakPolarHBondContact O-CA 3.5Å; V613-F626 HydrophobicContact CG2-CB 3.94Å; V613-F626 PolarHBondContact N-O 3.18Å; V613-F626 PolarHBondContact O-N 2.88Å; V613-K628 HydrophobicContact CG1-CB 3.99Å; V613-K628 HydrophobicContact CG1-CD 3.75Å; V613-K628 HydrophobicContact CG1-CG 4.12Å; V613-K628 HydrophobicContact CG2-CB 4.47Å
614	G	84.4	Confident	74.6	Confident	25 Å²	25	64.1 Å²	64.1	26%	0.258	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	96.1	-173.5	-177.3	0	0	0	0	0	113.7	F625 H661	G614-F625 VanDerWaalsContact O-CE1 3.23Å; G614-F625 WeakPolarHBondContact O-CE1 3.27Å; G614-H661 PolarHBondContact O-ND1 2.82Å; G614-H661 VanDerWaalsContact O-ND1 3.07Å
615	G	79.2	Confident	75.5	Confident	10 Å²	10	59 Å²	59	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	123.2	154.4	-174.6	0	0	0	0	0	113	Q623 F625	G615-Q623 PolarHBondContact N-O 3.45Å; G615-F625 VanDerWaalsContact CA-CE1 3.47Å
616	Y	71.1	Confident	76.6	Confident	98 Å²	98	52.5 Å²	52.5	38%	0.384	29%	0.288	S	S	.	.			trans	-76.7	131.7	174.6	-178.6	-100.9	0	0	0	111.2	E618 N622 G658 M659 S660	Y616-E618 HydrophobicContact CE1-CG 4.13Å; Y616-N622 HydrophobicContact CD2-CB 3.94Å; Y616-G658 WeakPolarHBondContact CB-O 3.44Å; Y616-M659 PolarHBondContact N-O 3.29Å; Y616-S660 VanDerWaalsContact O-CA 3.29Å; Y616-S660 WeakPolarHBondContact O-CA 3.23Å; Y616-S660 VanDerWaalsContact O-CB 3.27Å; Y616-S660 WeakPolarHBondContact O-CB 3.37Å
617	E	69.2	Low	77.5	Confident	110 Å²	110	51 Å²	51	51%	0.514	27%	0.273	S	S	.	.			trans	-130.7	137.2	166.4	-65	-170.3	170.8	0	0	108.5	N619 H620	E617-N619 PolarHBondContact O-N 2.81Å; E617-H620 HydrophobicContact CB-CB 4.28Å; E617-H620 PolarHBondContact O-N 2.89Å; E617-H620 VanDerWaalsContact O-O 3.11Å; E617-H620 IonicContact OE2-CD2 3.49Å; E617-H620 PolarHBondContact OE2-CD2 2.89Å
618	E	53.7	Low	77.6	Confident	173 Å²	173	49.6 Å²	49.6	81%	0.808	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.6	-171.8	-68	177.8	168.2	0	0	114.2	Y616	Y616-E618 HydrophobicContact CE1-CG 4.13Å
619	N	49.3	Very low	77.3	Confident	121 Å²	121	49.7 Å²	49.7	65%	0.647	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	0.6	-177.9	-63	-22.2	0	0	0	114.4	E617	E617-N619 PolarHBondContact O-N 2.81Å
620	H	54.8	Low	77.2	Confident	119 Å²	119	51 Å²	51	55%	0.551	27%	0.265	S	S	*	.	S	Bend	trans	-127.5	165.8	-177.7	-71.4	-64.6	0	0	0	111.9	E617	E617-H620 HydrophobicContact CB-CB 4.28Å; E617-H620 PolarHBondContact O-N 2.89Å; E617-H620 VanDerWaalsContact O-O 3.11Å; E617-H620 IonicContact OE2-CD2 3.49Å; E617-H620 PolarHBondContact OE2-CD2 2.89Å
621	T	57.2	Low	76.8	Confident	57 Å²	57	51.1 Å²	51.1	35%	0.35	27%	0.267	S	S	.	.			trans	-60.6	137.8	177.2	41.9	0	0	0	0	110.5	Q623	T621-Q623 PolarHBondContact O-N 2.76Å; T621-Q623 PolarHBondContact OG1-NE2 2.96Å
622	N	66.1	Low	76.3	Confident	80 Å²	80	52 Å²	52	43%	0.428	27%	0.269	S	S	.	.			trans	-65.3	101.8	176.9	-176	27.2	0	0	0	109.4	Y616	Y616-N622 HydrophobicContact CD2-CB 3.94Å
623	Q	74.6	Confident	75.7	Confident	28 Å²	28	53.1 Å²	53.1	13%	0.131	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.9	-177.7	-66.9	-61.8	-26.6	0	0	110.8	G615 T621	G615-Q623 PolarHBondContact N-O 3.45Å; T621-Q623 PolarHBondContact O-N 2.76Å; T621-Q623 PolarHBondContact OG1-NE2 2.96Å
624	P	82.9	Confident	75.7	Confident	41 Å²	41	52.8 Å²	52.8	27%	0.266	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	158.7	170.9	-5.3	15	0	0	0	111.1	L455 F626 M647	L455-P624 HydrophobicContact CD1-CG 3.86Å; P624-F626 HydrophobicContact CB-CD2 4.39Å; P624-F626 HydrophobicContact CB-CE2 3.6Å; P624-F626 HydrophobicContact CB-CZ 3.98Å; P624-F626 HydrophobicContact CG-CE2 3.68Å; P624-F626 HydrophobicContact CG-CZ 3.94Å; P624-F626 VanDerWaalsContact O-CD2 3.26Å; P624-F626 WeakPolarHBondContact O-CD2 2.91Å; P624-F626 WeakPolarHBondContact O-CE2 3.44Å; P624-M647 HydrophobicContact CB-CG 3.9Å; P624-M647 HydrophobicContact CB-SD 3.42Å; P624-M647 WeakPolarHBondContact CB-SD 3.23Å; P624-M647 HydrophobicContact CG-SD 3.87Å
625	F	89.6	Confident	75.9	Confident	2 Å²	2	53 Å²	53	1%	0.009	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.1	175	-70.1	-78.5	0	0	0	111.3	I612 V613 G614 G615 M647 I648 M659 H661 L664	I612-F625 HydrophobicContact CD1-CD1 4.01Å; I612-F625 HydrophobicContact CD1-CE1 4.35Å; V613-F625 VanDerWaalsContact O-CA 3.3Å; V613-F625 WeakPolarHBondContact O-CA 3.5Å; G614-F625 VanDerWaalsContact O-CE1 3.23Å; G614-F625 WeakPolarHBondContact O-CE1 3.27Å; G615-F625 VanDerWaalsContact CA-CE1 3.47Å; F625-M647 CarbonylContact O-C 3.51Å; F625-M647 WeakPolarHBondContact O-CA 3.07Å; F625-I648 HydrophobicContact CB-CB 4.18Å; F625-I648 PolarHBondContact O-N 2.9Å; F625-M659 HydrophobicContact CE2-CB 4.01Å; F625-M659 WeakPolarHBondContact CE2-O 3.29Å; F625-M659 HydrophobicContact CZ-CB 4.45Å; F625-M659 VanDerWaalsContact CZ-O 3.29Å; F625-M659 WeakPolarHBondContact CZ-O 3.07Å; F625-H661 HydrophobicContact CE1-CB 4.38Å; F625-L664 HydrophobicContact CB-CD2 3.93Å; F625-L664 HydrophobicContact CD1-CD2 3.42Å; F625-L664 VanDerWaalsContact CD1-CD2 3.42Å; F625-L664 HydrophobicContact CD2-CD2 3.46Å; F625-L664 VanDerWaalsContact CD2-CD2 3.46Å; F625-L664 HydrophobicContact CE1-CB 4.12Å; F625-L664 HydrophobicContact CE1-CD2 3.62Å; F625-L664 HydrophobicContact CE1-CG 4.48Å; F625-L664 HydrophobicContact CE2-CB 4.26Å; F625-L664 HydrophobicContact CE2-CD2 3.67Å; F625-L664 HydrophobicContact CG-CD2 3.29Å; F625-L664 HydrophobicContact CZ-CB 3.82Å; F625-L664 HydrophobicContact CZ-CD2 3.71Å; F625-L664 HydrophobicContact CZ-CG 4.41Å
626	F	90.2	Very high	76.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.9	177	-65.3	-90.3	0	0	0	111.5	P251 L252 L455 W582 L586 I612 V613 P624 K628 D646 M647	P251-F626 HydrophobicContact CB-CD2 3.73Å; P251-F626 HydrophobicContact CB-CE2 4.05Å; P251-F626 HydrophobicContact CG-CD2 3.81Å; P251-F626 HydrophobicContact CG-CE2 3.57Å; P251-F626 HydrophobicContact CG-CZ 4.41Å; L252-F626 HydrophobicContact CD2-CB 4.47Å; L455-F626 HydrophobicContact CD1-CE2 4.15Å; L455-F626 HydrophobicContact CD1-CZ 4Å; W582-F626 HydrophobicContact CZ2-CD1 4.36Å; W582-F626 HydrophobicContact CZ2-CE1 4.32Å; L586-F626 HydrophobicContact CD1-CE1 4.37Å; L586-F626 HydrophobicContact CD1-CZ 4.25Å; L586-F626 HydrophobicContact CD2-CE1 3.67Å; L586-F626 HydrophobicContact CD2-CZ 4.05Å; I612-F626 CarbonylContact C-O 3.59Å; I612-F626 WeakPolarHBondContact CA-O 3.04Å; V613-F626 HydrophobicContact CG2-CB 3.94Å; V613-F626 PolarHBondContact N-O 3.18Å; V613-F626 PolarHBondContact O-N 2.88Å; P624-F626 HydrophobicContact CB-CD2 4.39Å; P624-F626 HydrophobicContact CB-CE2 3.6Å; P624-F626 HydrophobicContact CB-CZ 3.98Å; P624-F626 HydrophobicContact CG-CE2 3.68Å; P624-F626 HydrophobicContact CG-CZ 3.94Å; P624-F626 VanDerWaalsContact O-CD2 3.26Å; P624-F626 WeakPolarHBondContact O-CD2 2.91Å; P624-F626 WeakPolarHBondContact O-CE2 3.44Å; F626-K628 PolarHBondContact O-N 3.19Å; F626-D646 CarbonylContact C-O 3.54Å; F626-D646 VanDerWaalsContact CA-O 3.3Å; F626-D646 WeakPolarHBondContact CA-O 3.29Å; F626-M647 HydrophobicContact CD1-CB 3.96Å; F626-M647 HydrophobicContact CD1-CG 4.37Å; F626-M647 HydrophobicContact CE1-CB 3.73Å; F626-M647 HydrophobicContact CE1-CG 3.97Å; F626-M647 HydrophobicContact CE1-SD 4.02Å; F626-M647 HydrophobicContact CZ-CB 4.4Å; F626-M647 HydrophobicContact CZ-CG 4.14Å; F626-M647 HydrophobicContact CZ-SD 3.79Å
627	I	91.3	Very high	77.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	115.6	168.1	-56.9	-60.8	0	0	0	108.4	F610 I612 I630 L642 K643 G645 D646 I648	F610-I627 HydrophobicContact CB-CD1 4.46Å; F610-I627 HydrophobicContact CB-CG2 4.28Å; F610-I627 HydrophobicContact CD2-CD1 3.48Å; F610-I627 VanDerWaalsContact CD2-CD1 3.48Å; F610-I627 HydrophobicContact CE2-CD1 3.88Å; F610-I627 HydrophobicContact CG-CD1 4.08Å; I612-I627 HydrophobicContact CG2-CD1 4.14Å; I627-I630 HydrophobicContact CG2-CD1 4.34Å; I627-I630 HydrophobicContact CG2-CG1 3.9Å; I627-L642 HydrophobicContact CD1-CD1 4.07Å; I627-L642 HydrophobicContact CD1-CD2 3.84Å; I627-L642 HydrophobicContact CD1-CG 4.2Å; I627-L642 HydrophobicContact CG1-CD1 3.8Å; I627-L642 HydrophobicContact CG1-CD2 4.19Å; I627-L642 HydrophobicContact CG1-CG 4Å; I627-K643 WeakPolarHBondContact CB-O 3.18Å; I627-K643 WeakPolarHBondContact CG2-O 3.25Å; I627-G645 PolarHBondContact O-N 3.08Å; I627-D646 HydrophobicContact CB-CB 4.46Å; I627-D646 HydrophobicContact CG1-CB 3.99Å; I627-D646 PolarHBondContact N-O 3.34Å; I627-I648 HydrophobicContact CD1-CD1 3.69Å; I627-I648 HydrophobicContact CD1-CG1 3.93Å; I627-I648 HydrophobicContact CG1-CG1 4.45Å
628	K	84.9	Confident	78	Confident	56 Å²	56	55 Å²	55	24%	0.243	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-46.7	178.1	-173.5	-167.8	-178.1	-179.1	0	111.9	L252 S611 V613 F626	L252-K628 HydrophobicContact CD2-CB 4.07Å; L252-K628 HydrophobicContact CD2-CG 4.09Å; S611-K628 PolarHBondContact O-N 2.74Å; V613-K628 HydrophobicContact CG1-CB 3.99Å; V613-K628 HydrophobicContact CG1-CD 3.75Å; V613-K628 HydrophobicContact CG1-CG 4.12Å; V613-K628 HydrophobicContact CG2-CB 4.47Å; F626-K628 PolarHBondContact O-N 3.19Å
629	T	81.9	Confident	79.7	Confident	12 Å²	12	49.2 Å²	49.2	7%	0.074	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.1	-178.9	66.7	0	0	0	0	111.4	E312 F610 S611	E312-T629 WeakPolarHBondContact OE2-CG2 3.31Å; F610-T629 CarbonylContact C-O 3.55Å; F610-T629 WeakPolarHBondContact CA-O 3.14Å; F610-T629 VanDerWaalsContact CB-O 3.32Å; F610-T629 WeakPolarHBondContact CB-O 3.24Å; S611-T629 PolarHBondContact N-O 3.41Å; S611-T629 PolarHBondContact OG-N 3.44Å; S611-T629 PolarHBondContact OG-OG1 2.95Å
630	I	85.7	Confident	81.5	Confident	29 Å²	29	45.5 Å²	45.5	15%	0.149	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.5	169.5	-61.1	-177.6	0	0	0	108.3	G609 F610 I627 A636 L642 K643	G609-I630 WeakPolarHBondContact O-CA 3.06Å; F610-I630 HydrophobicContact CB-CG1 4.39Å; I627-I630 HydrophobicContact CG2-CD1 4.34Å; I627-I630 HydrophobicContact CG2-CG1 3.9Å; I630-A636 HydrophobicContact CG2-CB 4.21Å; I630-L642 HydrophobicContact CD1-CB 4.03Å; I630-L642 HydrophobicContact CD1-CD2 4.47Å; I630-L642 HydrophobicContact CD1-CG 4.09Å; I630-L642 WeakPolarHBondContact CD1-O 3.4Å; I630-K643 VanDerWaalsContact CD1-CA 3.45Å
631	V	82.4	Confident	83.1	Confident	27 Å²	27	45.7 Å²	45.7	16%	0.164	25%	0.246	C	C	.	.			trans	-88.5	122	-174.9	-177.5	0	0	0	0	109.1	G609 G633 T634 Y637	G609-V631 PolarHBondContact O-N 3.34Å; V631-G633 PolarHBondContact O-N 3.36Å; V631-T634 HydrophobicContact CB-CG2 3.69Å; V631-T634 HydrophobicContact CG1-CG2 3.7Å; V631-T634 WeakPolarHBondContact O-CB 3.39Å; V631-T634 WeakPolarHBondContact O-CG2 3.13Å; V631-T634 PolarHBondContact O-N 3.18Å; V631-T634 PolarHBondContact O-OG1 2.93Å; V631-Y637 VanDerWaalsContact O-CB 3.24Å; V631-Y637 WeakPolarHBondContact O-CB 3.49Å
632	L	77.2	Confident	84.7	Confident	53 Å²	53	43.2 Å²	43.2	28%	0.277	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	138.6	177.1	-59.6	177.2	0	0	0	111.8	L273 T634 Y637	L273-L632 HydrophobicContact CD1-CD1 4.08Å; L632-T634 VanDerWaalsContact C-N 3.35Å; L632-Y637 HydrophobicContact CD2-CD2 3.52Å; L632-Y637 HydrophobicContact CD2-CE2 3.1Å; L632-Y637 HydrophobicContact CD2-CG 4.39Å; L632-Y637 HydrophobicContact CG-CE2 4.39Å
633	G	77.7	Confident	85.7	Confident	46 Å²	46	42.6 Å²	42.6	47%	0.474	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	13.5	176.8	0	0	0	0	0	115.6	V631 F638	V631-G633 PolarHBondContact O-N 3.36Å; G633-F638 WeakPolarHBondContact O-CE2 3.37Å
634	T	85.9	Confident	86.5	Confident	22 Å²	22	41.5 Å²	41.5	14%	0.135	22%	0.219	C	C	.	.	S	Bend	trans	-105.1	169.9	177.9	64.7	0	0	0	0	112.2	G609 V631 L632 A636 Y637 F638	G609-T634 VanDerWaalsContact CA-CB 3.44Å; G609-T634 WeakPolarHBondContact CA-OG1 3.47Å; G609-T634 PolarHBondContact O-OG1 3.41Å; V631-T634 HydrophobicContact CB-CG2 3.69Å; V631-T634 HydrophobicContact CG1-CG2 3.7Å; V631-T634 WeakPolarHBondContact O-CB 3.39Å; V631-T634 WeakPolarHBondContact O-CG2 3.13Å; V631-T634 PolarHBondContact O-N 3.18Å; V631-T634 PolarHBondContact O-OG1 2.93Å; L632-T634 VanDerWaalsContact C-N 3.35Å; T634-A636 VanDerWaalsContact C-N 3.32Å; T634-A636 PolarHBondContact O-N 2.87Å; T634-Y637 WeakPolarHBondContact O-CB 3.28Å; T634-Y637 PolarHBondContact O-N 2.98Å; T634-Y637 VanDerWaalsContact O-N 3.09Å; T634-F638 WeakPolarHBondContact O-CD2 3.33Å; T634-F638 PolarHBondContact O-N 3.26Å
635	P	90	Very high	86.7	Confident	30 Å²	30	39.5 Å²	39.5	20%	0.195	21%	0.207	C	C	.	.	H	α-helix	trans	-52.6	-44.5	177.6	-29.6	37.2	0	0	0	114.4	R602 Y637 F638 D639	R602-P635 HydrophobicContact CB-CG 3.88Å; P635-Y637 VanDerWaalsContact C-N 3.35Å; P635-Y637 PolarHBondContact O-N 2.87Å; P635-F638 PolarHBondContact O-N 2.77Å; P635-D639 WeakPolarHBondContact O-CB 3.32Å; P635-D639 PolarHBondContact O-N 2.84Å
636	A	90.4	Very high	86.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-41.3	176.6	0	0	0	0	0	112.6	L600 W608 F610 I630 T634 G640 L642	L600-A636 HydrophobicContact CD1-CB 4.06Å; W608-A636 WeakPolarHBondContact O-CB 3.38Å; W608-A636 PolarHBondContact O-N 3.38Å; F610-A636 HydrophobicContact CB-CB 4.45Å; F610-A636 HydrophobicContact CD1-CB 3.97Å; I630-A636 HydrophobicContact CG2-CB 4.21Å; T634-A636 VanDerWaalsContact C-N 3.32Å; T634-A636 PolarHBondContact O-N 2.87Å; A636-G640 PolarHBondContact O-N 2.87Å; A636-G640 VanDerWaalsContact O-N 3.16Å; A636-L642 HydrophobicContact CB-CD2 4.14Å
637	Y	86.4	Confident	86.7	Confident	109 Å²	109	40.5 Å²	40.5	43%	0.427	21%	0.211	S	C	.	.	H	α-helix	trans	-65.2	-44.7	177.1	173.6	-101	0	0	0	112.8	V631 L632 T634 P635 G640	V631-Y637 VanDerWaalsContact O-CB 3.24Å; V631-Y637 WeakPolarHBondContact O-CB 3.49Å; L632-Y637 HydrophobicContact CD2-CD2 3.52Å; L632-Y637 HydrophobicContact CD2-CE2 3.1Å; L632-Y637 HydrophobicContact CD2-CG 4.39Å; L632-Y637 HydrophobicContact CG-CE2 4.39Å; T634-Y637 WeakPolarHBondContact O-CB 3.28Å; T634-Y637 PolarHBondContact O-N 2.98Å; T634-Y637 VanDerWaalsContact O-N 3.09Å; P635-Y637 VanDerWaalsContact C-N 3.35Å; P635-Y637 PolarHBondContact O-N 2.87Å; Y637-G640 PolarHBondContact O-N 2.84Å
638	F	85.6	Confident	86.8	Confident	151 Å²	151	40.5 Å²	40.5	66%	0.662	21%	0.212	S	C	*	.	H	α-helix	trans	-71.6	-30.2	-179.2	-68.9	-54	0	0	0	113.4	G633 T634 P635 G640	G633-F638 WeakPolarHBondContact O-CE2 3.37Å; T634-F638 WeakPolarHBondContact O-CD2 3.33Å; T634-F638 PolarHBondContact O-N 3.26Å; P635-F638 PolarHBondContact O-N 2.77Å; F638-G640 VanDerWaalsContact C-N 3.35Å
639	D	90.3	Very high	87.1	Confident	50 Å²	50	39.4 Å²	39.4	27%	0.267	21%	0.21	S	C	.	.	H	α-helix	trans	-66.4	-40.3	171.5	-174.7	-78.5	0	0	0	110.7	L600 P635 R641	L600-D639 HydrophobicContact CD2-CB 3.66Å; P635-D639 WeakPolarHBondContact O-CB 3.32Å; P635-D639 PolarHBondContact O-N 2.84Å; D639-R641 PolarHBondContact O-N 2.83Å; D639-R641 VanDerWaalsContact OD1-CB 3.26Å; D639-R641 WeakPolarHBondContact OD1-CB 3.33Å; D639-R641 WeakPolarHBondContact OD1-CG 3.46Å; D639-R641 IonicContact OD1-CZ 2.67Å; D639-R641 PolarHBondContact OD1-N 2.77Å; D639-R641 IonicContact OD1-NE 2.99Å; D639-R641 PolarHBondContact OD1-NE 2.84Å; D639-R641 IonicContact OD1-NH2 3.34Å; D639-R641 PolarHBondContact OD1-NH2 3.39Å; D639-R641 IonicContact OD2-CZ 2.64Å; D639-R641 IonicContact OD2-NE 3.4Å; D639-R641 PolarHBondContact OD2-NE 3.32Å; D639-R641 IonicContact OD2-NH2 3.55Å; D639-R641 PolarHBondContact OD2-NH2 2.85Å
640	G	86.8	Confident	87.7	Confident	44 Å²	44	39.4 Å²	39.4	45%	0.454	21%	0.21	S	C	.	.			trans	71.5	-5.8	170.2	0	0	0	0	0	115.5	A636 Y637 F638	A636-G640 PolarHBondContact O-N 2.87Å; A636-G640 VanDerWaalsContact O-N 3.16Å; Y637-G640 PolarHBondContact O-N 2.84Å; F638-G640 VanDerWaalsContact C-N 3.35Å
641	R	87.8	Confident	88.1	Confident	123 Å²	123	38 Å²	38	46%	0.464	20%	0.203	S	C	.	.			trans	-81.3	-28.5	175.6	-62.2	179.4	-69.6	165.5	-5.5	113	D597 V598 D639	D597-R641 PolarHBondContact O-NH1 2.81Å; V598-R641 HydrophobicContact CG2-CB 4.18Å; D639-R641 PolarHBondContact O-N 2.83Å; D639-R641 VanDerWaalsContact OD1-CB 3.26Å; D639-R641 WeakPolarHBondContact OD1-CB 3.33Å; D639-R641 WeakPolarHBondContact OD1-CG 3.46Å; D639-R641 IonicContact OD1-CZ 2.67Å; D639-R641 PolarHBondContact OD1-N 2.77Å; D639-R641 IonicContact OD1-NE 2.99Å; D639-R641 PolarHBondContact OD1-NE 2.84Å; D639-R641 IonicContact OD1-NH2 3.34Å; D639-R641 PolarHBondContact OD1-NH2 3.39Å; D639-R641 IonicContact OD2-CZ 2.64Å; D639-R641 IonicContact OD2-NE 3.4Å; D639-R641 PolarHBondContact OD2-NE 3.32Å; D639-R641 IonicContact OD2-NH2 3.55Å; D639-R641 PolarHBondContact OD2-NH2 2.85Å
642	L	90.3	Very high	88.7	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	21%	0.213	C	C	.	.			trans	-78.1	138	173.5	-163.2	67.6	0	0	0	109.1	F610 I627 I630 A636 D646 L677 V679	F610-L642 HydrophobicContact CB-CD2 4.2Å; F610-L642 HydrophobicContact CD1-CD2 3.83Å; F610-L642 HydrophobicContact CE1-CD2 4.33Å; F610-L642 HydrophobicContact CG-CD2 3.97Å; I627-L642 HydrophobicContact CD1-CD1 4.07Å; I627-L642 HydrophobicContact CD1-CD2 3.84Å; I627-L642 HydrophobicContact CD1-CG 4.2Å; I627-L642 HydrophobicContact CG1-CD1 3.8Å; I627-L642 HydrophobicContact CG1-CD2 4.19Å; I627-L642 HydrophobicContact CG1-CG 4Å; I630-L642 HydrophobicContact CD1-CB 4.03Å; I630-L642 HydrophobicContact CD1-CD2 4.47Å; I630-L642 HydrophobicContact CD1-CG 4.09Å; I630-L642 WeakPolarHBondContact CD1-O 3.4Å; A636-L642 HydrophobicContact CB-CD2 4.14Å; L642-D646 HydrophobicContact CD1-CB 4.34Å; L642-L677 HydrophobicContact CD2-CD1 4.29Å; L642-V679 HydrophobicContact CD1-CG1 3.95Å
643	K	88.9	Confident	89.3	Confident	67 Å²	67	40.5 Å²	40.5	29%	0.291	23%	0.231	S	C	.	.			trans	-133.6	159.7	178.4	-63.1	-175.3	-177.2	-177.4	0	111.7	Q258 E259 I627 I630 D646	Q258-K643 HydrophobicContact CG-CB 4.15Å; Q258-K643 HydrophobicContact CG-CD 4.47Å; E259-K643 IonicContact OE1-NZ 3.85Å; E259-K643 IonicContact OE2-NZ 3.84Å; E259-K643 PolarHBondContact OE2-NZ 2.81Å; I627-K643 WeakPolarHBondContact CB-O 3.18Å; I627-K643 WeakPolarHBondContact CG2-O 3.25Å; I630-K643 VanDerWaalsContact CD1-CA 3.45Å; K643-D646 PolarHBondContact N-OD2 3.27Å; K643-D646 WeakPolarHBondContact O-CB 3.3Å; K643-D646 PolarHBondContact O-N 3.48Å
644	C	89.4	Confident	90	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.034	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	137.1	169.1	-59.1	0	0	0	0	109.7	V245 Q258	V245-C644 HydrophobicContact CG2-CB 4.36Å; Q258-C644 WeakPolarHBondContact CG-O 3.31Å; Q258-C644 PolarHBondContact NE2-O 3.45Å
645	G	87.7	Confident	90.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-6.2	-176.2	0	0	0	0	0	115.5	I627	I627-G645 PolarHBondContact O-N 3.08Å
646	D	90.3	Very high	90.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.245	C	C	.	.			trans	-66.3	142.1	172.9	-70.9	-10.6	0	0	0	110.9	F626 I627 L642 K643 C681 W682	F626-D646 CarbonylContact C-O 3.54Å; F626-D646 VanDerWaalsContact CA-O 3.3Å; F626-D646 WeakPolarHBondContact CA-O 3.29Å; I627-D646 HydrophobicContact CB-CB 4.46Å; I627-D646 HydrophobicContact CG1-CB 3.99Å; I627-D646 PolarHBondContact N-O 3.34Å; L642-D646 HydrophobicContact CD1-CB 4.34Å; K643-D646 PolarHBondContact N-OD2 3.27Å; K643-D646 WeakPolarHBondContact O-CB 3.3Å; K643-D646 PolarHBondContact O-N 3.48Å; D646-C681 WeakPolarHBondContact OD1-CA 3.48Å; D646-W682 PolarHBondContact OD1-N 2.82Å
647	M	89.7	Confident	90	Very high	21 Å²	21	50 Å²	50	10%	0.103	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	125	-179.9	-174.6	168.7	68.9	0	0	110.7	P624 F625 F626 V649 V679 I680	P624-M647 HydrophobicContact CB-CG 3.9Å; P624-M647 HydrophobicContact CB-SD 3.42Å; P624-M647 WeakPolarHBondContact CB-SD 3.23Å; P624-M647 HydrophobicContact CG-SD 3.87Å; F625-M647 CarbonylContact O-C 3.51Å; F625-M647 WeakPolarHBondContact O-CA 3.07Å; F626-M647 HydrophobicContact CD1-CB 3.96Å; F626-M647 HydrophobicContact CD1-CG 4.37Å; F626-M647 HydrophobicContact CE1-CB 3.73Å; F626-M647 HydrophobicContact CE1-CG 3.97Å; F626-M647 HydrophobicContact CE1-SD 4.02Å; F626-M647 HydrophobicContact CZ-CB 4.4Å; F626-M647 HydrophobicContact CZ-CG 4.14Å; F626-M647 HydrophobicContact CZ-SD 3.79Å; M647-V649 HydrophobicContact CE-CG1 3.99Å; M647-V649 HydrophobicContact CG-CG1 4.44Å; M647-V679 CarbonylContact O-C 3.54Å; M647-V679 WeakPolarHBondContact O-CA 3.39Å; M647-I680 HydrophobicContact CB-CB 4.39Å; M647-I680 HydrophobicContact CE-CB 4.27Å; M647-I680 HydrophobicContact CE-CD1 3.3Å; M647-I680 HydrophobicContact CE-CG1 4.33Å; M647-I680 PolarHBondContact N-O 3.48Å; M647-I680 PolarHBondContact O-N 3.31Å
648	I	93	Very high	89.8	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.8	175.5	-53.2	171.8	0	0	0	109	F610 I612 F625 I627 V651 T656 V679	F610-I648 HydrophobicContact CE2-CD1 4.24Å; I612-I648 HydrophobicContact CG2-CD1 3.73Å; F625-I648 HydrophobicContact CB-CB 4.18Å; F625-I648 PolarHBondContact O-N 2.9Å; I627-I648 HydrophobicContact CD1-CD1 3.69Å; I627-I648 HydrophobicContact CD1-CG1 3.93Å; I627-I648 HydrophobicContact CG1-CG1 4.45Å; I648-V651 HydrophobicContact CG2-CG2 4.01Å; I648-T656 HydrophobicContact CG2-CG2 3.95Å; I648-T656 PolarHBondContact O-OG1 2.94Å; I648-V679 HydrophobicContact CG1-CG1 4.31Å
649	V	91.8	Very high	89.9	Confident	33 Å²	33	41.4 Å²	41.4	20%	0.2	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-24	177.6	-66.3	0	0	0	0	113.8	M647 S655 T656 T678 I680	M647-V649 HydrophobicContact CE-CG1 3.99Å; M647-V649 HydrophobicContact CG-CG1 4.44Å; V649-S655 WeakPolarHBondContact O-CA 3.35Å; V649-T656 WeakPolarHBondContact CA-OG1 3.32Å; V649-T656 PolarHBondContact O-N 3.31Å; V649-T656 PolarHBondContact O-OG1 2.8Å; V649-T656 VanDerWaalsContact O-OG1 3.08Å; V649-T678 HydrophobicContact CG2-CG2 3.66Å; V649-T678 WeakPolarHBondContact CG2-O 3.21Å; V649-T678 PolarHBondContact N-O 3.37Å; V649-I680 HydrophobicContact CG1-CD1 3.56Å; V649-I680 HydrophobicContact CG1-CG1 4.16Å
650	A	93.4	Very high	89.8	Confident	11 Å²	11	40.6 Å²	40.6	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	155.1	172.7	0	0	0	0	0	112.5	L654 T678	A650-L654 CarbonylContact C-O 3.54Å; A650-L654 WeakPolarHBondContact CA-O 3.42Å; A650-L654 VanDerWaalsContact CB-O 3.27Å; A650-L654 WeakPolarHBondContact CB-O 3.43Å; A650-T678 PolarHBondContact N-O 3.01Å; A650-T678 PolarHBondContact O-N 2.81Å
651	V	95.4	Very high	89.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.5	170.6	-179.4	0	0	0	0	108.5	I648 G653 L654 T656 L664 M667 L668 V675 T676 L677	I648-V651 HydrophobicContact CG2-CG2 4.01Å; V651-G653 PolarHBondContact O-N 2.58Å; V651-L654 PolarHBondContact N-O 3.34Å; V651-L654 WeakPolarHBondContact O-CB 3.41Å; V651-L654 PolarHBondContact O-N 3.01Å; V651-T656 HydrophobicContact CG2-CG2 4.1Å; V651-L664 HydrophobicContact CG2-CD1 3.61Å; V651-M667 HydrophobicContact CB-CE 3.57Å; V651-M667 HydrophobicContact CB-SD 4.46Å; V651-M667 HydrophobicContact CG1-CE 4.06Å; V651-M667 HydrophobicContact CG2-CE 3.85Å; V651-L668 HydrophobicContact CG1-CD2 3.8Å; V651-L668 HydrophobicContact CG2-CD2 3.95Å; V651-V675 HydrophobicContact CG1-CG2 3.7Å; V651-T676 CarbonylContact C-O 3.58Å; V651-T676 WeakPolarHBondContact CA-O 3.42Å; V651-L677 HydrophobicContact CB-CD2 4.5Å; V651-L677 HydrophobicContact CG1-CD2 4.25Å; V651-L677 HydrophobicContact CG2-CD2 3.85Å
652	N	93.7	Very high	89.6	Confident	67 Å²	67	40.5 Å²	40.5	36%	0.358	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	36.4	-175.2	-63.9	-29.9	0	0	0	113.3	L654 Q671 T676	N652-L654 VanDerWaalsContact C-N 3.26Å; N652-L654 PolarHBondContact O-N 2.73Å; N652-Q671 PolarHBondContact ND2-OE1 3.32Å; N652-T676 PolarHBondContact N-O 2.77Å; N652-T676 PolarHBondContact OD1-N 3.3Å
653	G	91.1	Very high	89.5	Confident	65 Å²	65	42.3 Å²	42.3	67%	0.67	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-3.3	-177.4	0	0	0	0	0	115	V651	V651-G653 PolarHBondContact O-N 2.58Å
654	L	92.4	Very high	89.5	Confident	107 Å²	107	39.1 Å²	39.1	56%	0.56	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	121	172.6	-60.7	175	0	0	0	109.8	A650 V651 N652 M667	A650-L654 CarbonylContact C-O 3.54Å; A650-L654 WeakPolarHBondContact CA-O 3.42Å; A650-L654 VanDerWaalsContact CB-O 3.27Å; A650-L654 WeakPolarHBondContact CB-O 3.43Å; V651-L654 PolarHBondContact N-O 3.34Å; V651-L654 WeakPolarHBondContact O-CB 3.41Å; V651-L654 PolarHBondContact O-N 3.01Å; N652-L654 VanDerWaalsContact C-N 3.26Å; N652-L654 PolarHBondContact O-N 2.73Å; L654-M667 HydrophobicContact CD1-SD 4.01Å
655	S	90.8	Very high	89.4	Confident	69 Å²	69	40.6 Å²	40.6	48%	0.483	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	136.6	177.5	-179.2	0	0	0	0	111.5	V649 V657 M659	V649-S655 WeakPolarHBondContact O-CA 3.35Å; S655-V657 VanDerWaalsContact C-N 3.35Å; S655-V657 WeakPolarHBondContact OG-CB 3.28Å; S655-V657 WeakPolarHBondContact OG-CG2 3.26Å; S655-V657 PolarHBondContact OG-N 2.8Å; S655-M659 VanDerWaalsContact O-SD 3.42Å
656	T	90	Very high	89.4	Confident	9 Å²	9	43.2 Å²	43.2	6%	0.055	28%	0.284	C	S	.	.			trans	-87.7	-4.2	174.5	57.4	0	0	0	0	113.4	I648 V649 V651 G658 M659 L664	I648-T656 HydrophobicContact CG2-CG2 3.95Å; I648-T656 PolarHBondContact O-OG1 2.94Å; V649-T656 WeakPolarHBondContact CA-OG1 3.32Å; V649-T656 PolarHBondContact O-N 3.31Å; V649-T656 PolarHBondContact O-OG1 2.8Å; V649-T656 VanDerWaalsContact O-OG1 3.08Å; V651-T656 HydrophobicContact CG2-CG2 4.1Å; T656-G658 PolarHBondContact O-N 2.81Å; T656-M659 HydrophobicContact CG2-SD 4.39Å; T656-M659 WeakPolarHBondContact O-CB 3.21Å; T656-M659 PolarHBondContact O-N 2.74Å; T656-L664 HydrophobicContact CG2-CD1 3.93Å; T656-L664 HydrophobicContact CG2-CD2 4.3Å
657	V	85.4	Confident	89.4	Confident	113 Å²	113	44.5 Å²	44.5	69%	0.685	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	123.9	-178.9	177.9	0	0	0	0	110.3	S655 M659	S655-V657 VanDerWaalsContact C-N 3.35Å; S655-V657 WeakPolarHBondContact OG-CB 3.28Å; S655-V657 WeakPolarHBondContact OG-CG2 3.26Å; S655-V657 PolarHBondContact OG-N 2.8Å; V657-M659 PolarHBondContact O-N 2.93Å
658	G	82.1	Confident	89.4	Confident	39 Å²	39	44 Å²	44	40%	0.402	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	3.2	-179.3	0	0	0	0	0	114.5	Y616 T656	Y616-G658 WeakPolarHBondContact CB-O 3.44Å; T656-G658 PolarHBondContact O-N 2.81Å
659	M	88.1	Confident	89.1	Confident	41 Å²	41	51 Å²	51	20%	0.202	32%	0.318	C	S	.	.			trans	-74.5	139.8	173.6	-64.9	-171.3	70	0	0	110.7	Y616 F625 S655 T656 V657 A663 M667	Y616-M659 PolarHBondContact N-O 3.29Å; F625-M659 HydrophobicContact CE2-CB 4.01Å; F625-M659 WeakPolarHBondContact CE2-O 3.29Å; F625-M659 HydrophobicContact CZ-CB 4.45Å; F625-M659 VanDerWaalsContact CZ-O 3.29Å; F625-M659 WeakPolarHBondContact CZ-O 3.07Å; S655-M659 VanDerWaalsContact O-SD 3.42Å; T656-M659 HydrophobicContact CG2-SD 4.39Å; T656-M659 WeakPolarHBondContact O-CB 3.21Å; T656-M659 PolarHBondContact O-N 2.74Å; V657-M659 PolarHBondContact O-N 2.93Å; M659-A663 HydrophobicContact CE-CB 3.9Å; M659-M667 HydrophobicContact CE-CE 3.67Å; M659-M667 HydrophobicContact CE-SD 4.17Å; M659-M667 HydrophobicContact SD-CE 3.95Å
660	S	87.8	Confident	88.9	Confident	32 Å²	32	56.3 Å²	56.3	22%	0.224	34%	0.34	C	S	.	.			trans	-76.6	158.2	170.8	68.5	0	0	0	0	111.5	Y616 S662 A663 L664	Y616-S660 VanDerWaalsContact O-CA 3.29Å; Y616-S660 WeakPolarHBondContact O-CA 3.23Å; Y616-S660 VanDerWaalsContact O-CB 3.27Å; Y616-S660 WeakPolarHBondContact O-CB 3.37Å; S660-S662 PolarHBondContact O-N 3.46Å; S660-S662 PolarHBondContact OG-OG 3.01Å; S660-A663 PolarHBondContact O-N 3.35Å; S660-A663 WeakPolarHBondContact OG-CB 3.47Å; S660-A663 PolarHBondContact OG-N 3.43Å; S660-A663 VanDerWaalsContact OG-N 3.15Å; S660-L664 PolarHBondContact O-N 3.4Å; S660-L664 VanDerWaalsContact O-N 3.11Å
661	H	84.7	Confident	88.7	Confident	72 Å²	72	57.9 Å²	57.9	33%	0.333	35%	0.346	S	S	.	.	H	α-helix	trans	-57.5	-37.6	173.2	-164.6	94.3	0	0	0	111.9	G614 F625 A663 V665	G614-H661 PolarHBondContact O-ND1 2.82Å; G614-H661 VanDerWaalsContact O-ND1 3.07Å; F625-H661 HydrophobicContact CE1-CB 4.38Å; H661-A663 PolarHBondContact O-N 3.5Å; H661-V665 WeakPolarHBondContact O-CG2 2.94Å; H661-V665 PolarHBondContact O-N 2.77Å
662	S	84.8	Confident	88.1	Confident	94 Å²	94	66.9 Å²	66.9	66%	0.657	38%	0.38	S	S	*	.	H	α-helix	trans	-67.5	-19	176.3	56.8	0	0	0	0	114.1	S660 P666	S660-S662 PolarHBondContact O-N 3.46Å; S660-S662 PolarHBondContact OG-OG 3.01Å; S662-P666 WeakPolarHBondContact O-CD 3.42Å; S662-P666 WeakPolarHBondContact O-CG 3.15Å
663	A	88.5	Confident	87.9	Confident	41 Å²	41	68.7 Å²	68.7	34%	0.339	39%	0.39	S	S	.	.	H	α-helix	trans	-90.1	-43.2	175.1	0	0	0	0	0	112.4	M659 S660 H661 M667	M659-A663 HydrophobicContact CE-CB 3.9Å; S660-A663 PolarHBondContact O-N 3.35Å; S660-A663 WeakPolarHBondContact OG-CB 3.47Å; S660-A663 PolarHBondContact OG-N 3.43Å; S660-A663 VanDerWaalsContact OG-N 3.15Å; H661-A663 PolarHBondContact O-N 3.5Å; A663-M667 PolarHBondContact O-N 3.13Å
664	L	89	Confident	88	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-70.2	-41.8	-175.5	-178.4	60.1	0	0	0	112.9	I612 F625 V651 T656 S660 M667 L668	I612-L664 HydrophobicContact CD1-CD2 3.68Å; I612-L664 HydrophobicContact CD1-CG 4.07Å; F625-L664 HydrophobicContact CB-CD2 3.93Å; F625-L664 HydrophobicContact CD1-CD2 3.42Å; F625-L664 VanDerWaalsContact CD1-CD2 3.42Å; F625-L664 HydrophobicContact CD2-CD2 3.46Å; F625-L664 VanDerWaalsContact CD2-CD2 3.46Å; F625-L664 HydrophobicContact CE1-CB 4.12Å; F625-L664 HydrophobicContact CE1-CD2 3.62Å; F625-L664 HydrophobicContact CE1-CG 4.48Å; F625-L664 HydrophobicContact CE2-CB 4.26Å; F625-L664 HydrophobicContact CE2-CD2 3.67Å; F625-L664 HydrophobicContact CG-CD2 3.29Å; F625-L664 HydrophobicContact CZ-CB 3.82Å; F625-L664 HydrophobicContact CZ-CD2 3.71Å; F625-L664 HydrophobicContact CZ-CG 4.41Å; V651-L664 HydrophobicContact CG2-CD1 3.61Å; T656-L664 HydrophobicContact CG2-CD1 3.93Å; T656-L664 HydrophobicContact CG2-CD2 4.3Å; S660-L664 PolarHBondContact O-N 3.4Å; S660-L664 VanDerWaalsContact O-N 3.11Å; L664-M667 HydrophobicContact CD1-CE 3.25Å; L664-M667 WeakPolarHBondContact O-CB 3.3Å; L664-M667 PolarHBondContact O-N 3.08Å; L664-L668 HydrophobicContact CD1-CD1 4.28Å; L664-L668 HydrophobicContact CD1-CG 4.24Å; L664-L668 HydrophobicContact CG-CD1 4.06Å; L664-L668 HydrophobicContact CG-CG 4.46Å; L664-L668 WeakPolarHBondContact O-CG 3.44Å; L664-L668 PolarHBondContact O-N 3.45Å
665	V	88.7	Confident	88.1	Confident	37 Å²	37	65.2 Å²	65.2	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-47.7	-176.5	171.8	0	0	0	0	112.4	I612 H661 L668 K669	I612-V665 HydrophobicContact CD1-CG2 3.91Å; I612-V665 HydrophobicContact CG1-CG2 4.38Å; H661-V665 WeakPolarHBondContact O-CG2 2.94Å; H661-V665 PolarHBondContact O-N 2.77Å; V665-L668 PolarHBondContact O-N 2.74Å; V665-K669 HydrophobicContact CG1-CD 4.05Å; V665-K669 WeakPolarHBondContact O-CG 3.37Å; V665-K669 PolarHBondContact O-N 2.82Å
666	P	87.7	Confident	88.3	Confident	55 Å²	55	62.9 Å²	62.9	36%	0.357	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-44.7	172.6	-26.1	36.8	0	0	0	112.7	S662 L668 K669 E670	S662-P666 WeakPolarHBondContact O-CD 3.42Å; S662-P666 WeakPolarHBondContact O-CG 3.15Å; P666-L668 VanDerWaalsContact C-N 3.27Å; P666-L668 PolarHBondContact O-N 2.81Å; P666-K669 PolarHBondContact O-N 2.88Å; P666-E670 WeakPolarHBondContact O-CG 3.35Å; P666-E670 PolarHBondContact O-N 3.39Å
667	M	89.4	Confident	88.6	Confident	27 Å²	27	62.4 Å²	62.4	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-56.2	-41.2	179	-178	176.5	61.7	0	0	112.2	V651 L654 M659 A663 L664 Q671	V651-M667 HydrophobicContact CB-CE 3.57Å; V651-M667 HydrophobicContact CB-SD 4.46Å; V651-M667 HydrophobicContact CG1-CE 4.06Å; V651-M667 HydrophobicContact CG2-CE 3.85Å; L654-M667 HydrophobicContact CD1-SD 4.01Å; M659-M667 HydrophobicContact CE-CE 3.67Å; M659-M667 HydrophobicContact CE-SD 4.17Å; M659-M667 HydrophobicContact SD-CE 3.95Å; A663-M667 PolarHBondContact O-N 3.13Å; L664-M667 HydrophobicContact CD1-CE 3.25Å; L664-M667 WeakPolarHBondContact O-CB 3.3Å; L664-M667 PolarHBondContact O-N 3.08Å; M667-Q671 WeakPolarHBondContact O-CG 3.4Å; M667-Q671 PolarHBondContact O-NE2 3.41Å
668	L	90.5	Very high	89	Confident	11 Å²	11	58.2 Å²	58.2	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-68.3	-40.8	174.4	-71.8	170.3	0	0	0	112.4	W608 F610 I612 V651 L664 V665 P666 Q671 V675 L677	W608-L668 PolarHBondContact NE1-O 2.82Å; F610-L668 HydrophobicContact CE2-CD1 4.15Å; F610-L668 HydrophobicContact CZ-CD1 4.19Å; F610-L668 HydrophobicContact CZ-CD2 4.35Å; I612-L668 HydrophobicContact CD1-CD1 4.31Å; V651-L668 HydrophobicContact CG1-CD2 3.8Å; V651-L668 HydrophobicContact CG2-CD2 3.95Å; L664-L668 HydrophobicContact CD1-CD1 4.28Å; L664-L668 HydrophobicContact CD1-CG 4.24Å; L664-L668 HydrophobicContact CG-CD1 4.06Å; L664-L668 HydrophobicContact CG-CG 4.46Å; L664-L668 WeakPolarHBondContact O-CG 3.44Å; L664-L668 PolarHBondContact O-N 3.45Å; V665-L668 PolarHBondContact O-N 2.74Å; P666-L668 VanDerWaalsContact C-N 3.27Å; P666-L668 PolarHBondContact O-N 2.81Å; L668-Q671 PolarHBondContact O-N 2.81Å; L668-V675 HydrophobicContact CD2-CG2 4.06Å; L668-L677 HydrophobicContact CD2-CD2 3.67Å
669	K	86.6	Confident	89.5	Confident	149 Å²	149	56.4 Å²	56.4	65%	0.648	29%	0.287	S	S	*	.	H	α-helix	trans	-67.6	-35.5	-179.3	-75.7	177.4	176.5	178.4	0	112.8	R602 V665 P666 Q671	R602-K669 PolarHBondContact NH2-O 3.01Å; V665-K669 HydrophobicContact CG1-CD 4.05Å; V665-K669 WeakPolarHBondContact O-CG 3.37Å; V665-K669 PolarHBondContact O-N 2.82Å; P666-K669 PolarHBondContact O-N 2.88Å; K669-Q671 PolarHBondContact O-N 3.19Å
670	E	87.6	Confident	89.5	Confident	143 Å²	143	54.8 Å²	54.8	67%	0.668	28%	0.279	S	S	*	.	H	α-helix	trans	-66.9	-22.7	179.2	-75.9	175.6	-173	0	0	113.4	P666 R672	P666-E670 WeakPolarHBondContact O-CG 3.35Å; P666-E670 PolarHBondContact O-N 3.39Å; E670-R672 PolarHBondContact O-N 2.94Å
671	Q	88.1	Confident	89.3	Confident	44 Å²	44	54.7 Å²	54.7	21%	0.206	28%	0.278	C	S	.	.			trans	-64.8	117.4	178.6	-59	-44.6	-53.9	0	0	110.7	R602 W608 N652 M667 L668 K669 V675	R602-Q671 VanDerWaalsContact CZ-O 3.31Å; R602-Q671 PolarHBondContact NH2-O 2.97Å; W608-Q671 HydrophobicContact CZ2-CB 3.64Å; W608-Q671 WeakPolarHBondContact CZ2-O 3.24Å; N652-Q671 PolarHBondContact ND2-OE1 3.32Å; M667-Q671 WeakPolarHBondContact O-CG 3.4Å; M667-Q671 PolarHBondContact O-NE2 3.41Å; L668-Q671 PolarHBondContact O-N 2.81Å; K669-Q671 PolarHBondContact O-N 3.19Å; Q671-V675 HydrophobicContact CB-CB 4.11Å; Q671-V675 HydrophobicContact CG-CB 4.04Å; Q671-V675 HydrophobicContact CG-CG2 3.94Å
672	R	83.1	Confident	89.1	Confident	190 Å²	190	51.7 Å²	51.7	72%	0.717	26%	0.264	S	S	*	.			trans	-72.5	-70.4	-173.5	-69.3	-173.9	177.6	178.5	-0.3	113.4	R602 E670	R602-R672 WeakPolarHBondContact CG-O 3.15Å; R602-R672 PolarHBondContact NE-O 3.04Å; E670-R672 PolarHBondContact O-N 2.94Å
673	N	89.1	Confident	88.5	Confident	105 Å²	105	48.1 Å²	48.1	56%	0.561	24%	0.239	S	C	*	.	S	Bend	trans	-116.5	-15.7	-167.5	-59.3	-11.9	0	0	0	113.1	R601 R602	R601-N673 WeakPolarHBondContact CA-O 3.29Å; R602-N673 PolarHBondContact N-O 2.85Å
674	K	92.7	Very high	88.2	Confident	99 Å²	99	46.4 Å²	46.4	43%	0.43	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	137	-177.3	-177.9	-173.4	172.5	-168.2	0	109.8	V599 L600	V599-K674 HydrophobicContact CG1-CD 4.17Å; V599-K674 VanDerWaalsContact CG1-CE 3.41Å; V599-K674 HydrophobicContact CG1-CG 3.92Å; L600-K674 WeakPolarHBondContact O-CA 3.43Å
675	V	94.9	Very high	88	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.4	163.7	63.1	0	0	0	0	108.7	V599 L600 W608 V651 L668 Q671 L677	V599-V675 CarbonylContact C-O 3.47Å; V599-V675 WeakPolarHBondContact CA-O 3.21Å; L600-V675 HydrophobicContact CB-CG1 3.86Å; L600-V675 HydrophobicContact CD1-CG1 4.42Å; L600-V675 HydrophobicContact CG-CG1 4.49Å; L600-V675 PolarHBondContact N-O 3.26Å; L600-V675 PolarHBondContact O-N 2.96Å; W608-V675 HydrophobicContact CD2-CG1 3.65Å; W608-V675 HydrophobicContact CE3-CG1 3.75Å; W608-V675 HydrophobicContact CG-CG1 4.31Å; W608-V675 HydrophobicContact CH2-CB 4.18Å; W608-V675 HydrophobicContact CH2-CG1 3.84Å; W608-V675 HydrophobicContact CZ2-CB 3.9Å; W608-V675 HydrophobicContact CZ2-CG1 3.74Å; W608-V675 HydrophobicContact CZ3-CG1 3.84Å; V651-V675 HydrophobicContact CG1-CG2 3.7Å; L668-V675 HydrophobicContact CD2-CG2 4.06Å; Q671-V675 HydrophobicContact CB-CB 4.11Å; Q671-V675 HydrophobicContact CG-CB 4.04Å; Q671-V675 HydrophobicContact CG-CG2 3.94Å; V675-L677 HydrophobicContact CG2-CD2 3.84Å; V675-L677 HydrophobicContact CG2-CG 4.43Å
676	T	96	Very high	87.9	Confident	19 Å²	19	47.5 Å²	47.5	12%	0.117	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.6	168.9	-59.7	0	0	0	0	107.8	D597 V598 V599 V651 N652	D597-T676 HydrophobicContact CB-CG2 3.91Å; V598-T676 WeakPolarHBondContact O-CA 3.48Å; V599-T676 HydrophobicContact CG2-CG2 4.17Å; V651-T676 CarbonylContact C-O 3.58Å; V651-T676 WeakPolarHBondContact CA-O 3.42Å; N652-T676 PolarHBondContact N-O 2.77Å; N652-T676 PolarHBondContact OD1-N 3.3Å
677	L	96.2	Very high	87.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.5	171.9	-55.8	177.4	0	0	0	107.7	D597 V598 L600 F610 L642 V651 L668 V675 V679	D597-L677 WeakPolarHBondContact CA-O 3.44Å; V598-L677 PolarHBondContact N-O 3.18Å; V598-L677 PolarHBondContact O-N 2.91Å; L600-L677 HydrophobicContact CD1-CD1 4.09Å; F610-L677 HydrophobicContact CE1-CD1 3.86Å; F610-L677 HydrophobicContact CE2-CD1 4.5Å; F610-L677 HydrophobicContact CZ-CD1 3.7Å; L642-L677 HydrophobicContact CD2-CD1 4.29Å; V651-L677 HydrophobicContact CB-CD2 4.5Å; V651-L677 HydrophobicContact CG1-CD2 4.25Å; V651-L677 HydrophobicContact CG2-CD2 3.85Å; L668-L677 HydrophobicContact CD2-CD2 3.67Å; V675-L677 HydrophobicContact CG2-CD2 3.84Å; V675-L677 HydrophobicContact CG2-CG 4.43Å; L677-V679 HydrophobicContact CB-CG1 3.9Å
678	T	94.3	Very high	87.7	Confident	25 Å²	25	46.2 Å²	46.2	15%	0.153	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	116.9	165.9	-50.1	0	0	0	0	106.8	C595 H596 D597 V649 A650	C595-T678 HydrophobicContact CB-CG2 3.91Å; H596-T678 CarbonylContact O-C 3.39Å; H596-T678 WeakPolarHBondContact O-CA 3.43Å; D597-T678 WeakPolarHBondContact OD1-CB 3.46Å; D597-T678 PolarHBondContact OD1-OG1 2.94Å; V649-T678 HydrophobicContact CG2-CG2 3.66Å; V649-T678 WeakPolarHBondContact CG2-O 3.21Å; V649-T678 PolarHBondContact N-O 3.37Å; A650-T678 PolarHBondContact N-O 3.01Å; A650-T678 PolarHBondContact O-N 2.81Å
679	V	92.3	Very high	87.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.4	-173.7	-59.7	0	0	0	0	111.7	C595 H596 V598 L642 M647 I648 L677	C595-V679 CarbonylContact C-O 3.54Å; C595-V679 WeakPolarHBondContact CA-O 3.31Å; H596-V679 PolarHBondContact N-O 2.95Å; H596-V679 PolarHBondContact O-N 2.9Å; V598-V679 HydrophobicContact CG2-CG2 3.77Å; L642-V679 HydrophobicContact CD1-CG1 3.95Å; M647-V679 CarbonylContact O-C 3.54Å; M647-V679 WeakPolarHBondContact O-CA 3.39Å; I648-V679 HydrophobicContact CG1-CG1 4.31Å; L677-V679 HydrophobicContact CB-CG1 3.9Å
680	I	87.9	Confident	87.6	Confident	7 Å²	7	42.4 Å²	42.4	4%	0.036	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.5	165.1	-65.4	160.8	0	0	0	106.7	H593 C595 M647 V649 W682	H593-I680 HydrophobicContact CB-CD1 3.48Å; H593-I680 VanDerWaalsContact CB-CD1 3.48Å; H593-I680 HydrophobicContact CB-CG1 3.94Å; H593-I680 HydrophobicContact CB-CG2 4.02Å; C595-I680 VanDerWaalsContact SG-CG1 3.56Å; M647-I680 HydrophobicContact CB-CB 4.39Å; M647-I680 HydrophobicContact CE-CB 4.27Å; M647-I680 HydrophobicContact CE-CD1 3.3Å; M647-I680 HydrophobicContact CE-CG1 4.33Å; M647-I680 PolarHBondContact N-O 3.48Å; M647-I680 PolarHBondContact O-N 3.31Å; V649-I680 HydrophobicContact CG1-CD1 3.56Å; V649-I680 HydrophobicContact CG1-CG1 4.16Å; I680-W682 HydrophobicContact CG2-CD2 4.23Å; I680-W682 HydrophobicContact CG2-CH2 4.28Å; I680-W682 HydrophobicContact CG2-CZ2 3.62Å
681	C	83.7	Confident	87.6	Confident	30 Å²	30	36.5 Å²	36.5	20%	0.203	18%	0.176	C	C	.	.			trans	-85.6	128.7	-177.8	-56.6	0	0	0	0	109.7	D646	D646-C681 WeakPolarHBondContact OD1-CA 3.48Å
682	W	79.2	Confident	87.5	Confident	10 Å²	10	36.1 Å²	36.1	4%	0.038	17%	0.174	C	C	.	.			trans	-112.6	135.1	176.3	-64.6	111.8	0	0	0	109.8	Q258 L491 W582 W585 L586 H593 D646 I680 G684	Q258-W682 PolarHBondContact NE2-O 2.69Å; L491-W682 HydrophobicContact CD2-CE3 4.35Å; L491-W682 HydrophobicContact CD2-CZ3 4.38Å; W582-W682 AromaticContact NE1-CG 3.97Å; W585-W682 HydrophobicContact CB-CD2 4.41Å; W585-W682 HydrophobicContact CB-CE3 3.6Å; W585-W682 HydrophobicContact CB-CH2 4.17Å; W585-W682 HydrophobicContact CB-CZ3 3.49Å; W585-W682 VanDerWaalsContact CB-CZ3 3.49Å; W585-W682 HydrophobicContact CG-CE3 4.27Å; W585-W682 HydrophobicContact CG-CZ3 4.18Å; W585-W682 WeakPolarHBondContact O-CH2 3.4Å; L586-W682 HydrophobicContact CD2-CD2 4.46Å; L586-W682 HydrophobicContact CD2-CG 4.4Å; L586-W682 HydrophobicContact CD2-CZ2 4.36Å; H593-W682 AromaticContact CD2-CH2 3.46Å; H593-W682 VanDerWaalsContact CD2-CH2 3.46Å; H593-W682 WeakPolarHBondContact CD2-CH2 3.3Å; H593-W682 AromaticContact CD2-CZ2 3.76Å; H593-W682 AromaticContact CE1-CZ2 3.96Å; H593-W682 AromaticContact NE2-CH2 3.51Å; H593-W682 AromaticContact NE2-CZ2 3.59Å; D646-W682 PolarHBondContact OD1-N 2.82Å; I680-W682 HydrophobicContact CG2-CD2 4.23Å; I680-W682 HydrophobicContact CG2-CH2 4.28Å; I680-W682 HydrophobicContact CG2-CZ2 3.62Å; W682-G684 PolarHBondContact O-N 3.12Å
683	P	73.3	Confident	87.8	Confident	19 Å²	19	25.8 Å²	25.8	12%	0.123	14%	0.138	C	C	.	.			trans	-78.5	-0.6	-175.6	30.2	-33.7	0	0	0	114.8	Q258 S488 L491	Q258-P683 PolarHBondContact OE1-O 3.12Å; S488-P683 WeakPolarHBondContact O-CB 3.5Å; S488-P683 VanDerWaalsContact O-CG 3.29Å; S488-P683 WeakPolarHBondContact O-CG 3.3Å; L491-P683 HydrophobicContact CD1-CG 3.62Å; L491-P683 HydrophobicContact CD2-CG 3.71Å; L491-P683 HydrophobicContact CG-CG 3.76Å
684	G	81.6	Confident	87.7	Confident	4 Å²	4	20.1 Å²	20.1	4%	0.041	11%	0.107	C	C	.	.			trans	66	-167.6	-170.8	0	0	0	0	0	112	I244 W682	I244-G684 WeakPolarHBondContact O-CA 3.37Å; W682-G684 PolarHBondContact O-N 3.12Å
685	S	86.3	Confident	87.3	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125	170.4	-61.7	0	0	0	0	109.1	S243 I244 H291 S581 W582	S243-S685 CarbonylContact C-O 3.52Å; S243-S685 VanDerWaalsContact CA-O 3.3Å; S243-S685 WeakPolarHBondContact CA-O 3.26Å; I244-S685 PolarHBondContact N-O 3.35Å; I244-S685 PolarHBondContact O-N 2.59Å; H291-S685 WeakPolarHBondContact NE2-CB 3.22Å; H291-S685 PolarHBondContact NE2-OG 2.81Å; S581-S685 WeakPolarHBondContact CA-OG 3.37Å; W582-S685 PolarHBondContact N-OG 2.73Å; W582-S685 VanDerWaalsContact N-OG 3.1Å
686	L	86.1	Confident	86.7	Confident	60 Å²	60	15.3 Å²	15.3	31%	0.314	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	139	175.8	-175.1	67.9	0	0	0	110.1	Y261	Y261-L686 HydrophobicContact CD2-CD1 3.7Å; Y261-L686 HydrophobicContact CE2-CD1 3.28Å
687	I	83.9	Confident	85.9	Confident	9 Å²	9	14.9 Å²	14.9	5%	0.046	9%	0.087	C	C	.	.			trans	-133.6	0	-178.8	-44.7	-68	0	0	0	110.9	E239 L240 G241 I242 I244 R295 L298	E239-I687 VanDerWaalsContact CA-OXT 3.27Å; E239-I687 WeakPolarHBondContact CA-OXT 3.44Å; E239-I687 WeakPolarHBondContact CB-OXT 3.38Å; L240-I687 CarbonylContact C-O 3.53Å; L240-I687 HydrophobicContact CB-CG2 4.37Å; L240-I687 WeakPolarHBondContact CB-O 3.14Å; L240-I687 HydrophobicContact CD1-CG2 3.86Å; L240-I687 HydrophobicContact CG-CG2 4.18Å; L240-I687 PolarHBondContact N-O 3.26Å; L240-I687 VanDerWaalsContact N-O 3.16Å; L240-I687 PolarHBondContact N-OXT 2.95Å; G241-I687 PolarHBondContact N-O 2.86Å; I242-I687 HydrophobicContact CG1-CB 4.05Å; I242-I687 PolarHBondContact N-O 2.92Å; I242-I687 VanDerWaalsContact N-O 3.15Å; I242-I687 PolarHBondContact O-N 2.72Å; I244-I687 HydrophobicContact CD1-CD1 3.79Å; I244-I687 HydrophobicContact CD1-CG1 3.92Å; I244-I687 HydrophobicContact CG1-CD1 4.07Å; I244-I687 HydrophobicContact CG1-CG1 3.88Å; I244-I687 HydrophobicContact CG2-CG1 4.14Å; R295-I687 HydrophobicContact CB-CD1 4.11Å; R295-I687 HydrophobicContact CG-CD1 3.52Å; L298-I687 HydrophobicContact CB-CG2 3.71Å

Retrieved 687 of 687 residues in 152.2 ms (Link to these results)

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