C4Q500_SCHMA Loading...

Caspase-3

AlphaFold DB , UniProt , Accession C4Q500, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 296 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	32.7	Very low	30.5	Very low	256 Å²	256	149.3 Å²	149.3	100%	1.261	84%	0.842	S	S	*	*				0	131.7	0	-76.3	164	164.5	0	0	107.3
2	G	31.6	Very low	30.2	Very low	70 Å²	70	147.3 Å²	147.3	72%	0.722	84%	0.837	S	S	*	*			trans	176.9	89	-175.4	0	0	0	0	0	107.6
3	E	33.7	Very low	30.1	Very low	206 Å²	206	145.5 Å²	145.5	96%	0.963	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-79.2	144.8	176.3	-67	-177.5	135.6	0	0	109.4
4	V	32.4	Very low	29.9	Very low	139 Å²	139	148.9 Å²	148.9	84%	0.842	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-103.6	147.7	-167	-179.8	0	0	0	0	110.4
5	V	29.9	Very low	29.9	Very low	119 Å²	119	147.3 Å²	147.3	72%	0.721	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-63.6	139.9	179.2	-158.1	0	0	0	0	111.3
6	D	31.6	Very low	30.1	Very low	163 Å²	163	147.4 Å²	147.4	87%	0.872	83%	0.828	S	S	*	*				166.2	161.3	124.3	-87.8	-26.2	0	0	0	112.6
7	G	32.3	Very low	30.7	Very low	63 Å²	63	147.2 Å²	147.2	65%	0.649	82%	0.819	S	S	*	*			trans	121.5	26.1	159.8	0	0	0	0	0	119.6	H9	G7-H9 VanDerWaalsContact C-N 3.33Å; G7-H9 PolarHBondContact O-N 2.92Å
8	V	29.4	Very low	31.2	Very low	140 Å²	140	139.7 Å²	139.7	85%	0.848	78%	0.78	S	S	*	*			trans	-74.5	84.1	171.3	-174.6	0	0	0	0	111	L10	V8-L10 HydrophobicContact CG1-CD1 4.29Å; V8-L10 PolarHBondContact O-N 3.3Å
9	H	28.3	Very low	32	Very low	175 Å²	175	142.9 Å²	142.9	81%	0.81	78%	0.779	S	S	*	*			trans	-77.6	103.5	169.4	-95.1	-62	0	0	0	111.1	G7 M11	G7-H9 VanDerWaalsContact C-N 3.33Å; G7-H9 PolarHBondContact O-N 2.92Å; H9-M11 PolarHBondContact O-N 3.01Å
10	L	25.6	Very low	32.8	Very low	144 Å²	144	136.1 Å²	136.1	75%	0.754	74%	0.744	S	S	*	*			trans	-67.1	98	162.7	-112.9	82	0	0	0	109.3	V8 T12	V8-L10 HydrophobicContact CG1-CD1 4.29Å; V8-L10 PolarHBondContact O-N 3.3Å; L10-T12 PolarHBondContact O-N 3.1Å; L10-T12 VanDerWaalsContact O-N 3.1Å
11	M	27.8	Very low	33.7	Very low	167 Å²	167	135.5 Å²	135.5	82%	0.823	74%	0.736	S	S	*	*			trans	-70.9	102.2	166.7	-76.9	-163.6	175.3	0	0	109.5	H9 T13	H9-M11 PolarHBondContact O-N 3.01Å; M11-T13 PolarHBondContact O-N 2.96Å
12	T	27	Very low	34.8	Very low	126 Å²	126	127.8 Å²	127.8	77%	0.773	70%	0.698	S	S	*	*			trans	-74.3	72.8	173.8	45.2	0	0	0	0	110.8	L10 K14	L10-T12 PolarHBondContact O-N 3.1Å; L10-T12 VanDerWaalsContact O-N 3.1Å; T12-K14 PolarHBondContact O-N 2.88Å
13	T	29.4	Very low	35.9	Very low	124 Å²	124	126.5 Å²	126.5	76%	0.761	68%	0.68	S	S	*	*			trans	-59.6	106	168.4	53	0	0	0	0	108.8	M11	M11-T13 PolarHBondContact O-N 2.96Å
14	K	27.3	Very low	36.6	Very low	192 Å²	192	120.5 Å²	120.5	84%	0.835	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-52.9	142.7	166.7	-72.4	-175.9	176.5	-179.6	0	108.5	T12 N16	T12-K14 PolarHBondContact O-N 2.88Å; K14-N16 PolarHBondContact O-N 3.02Å
15	P	30	Very low	37.4	Very low	126 Å²	126	124 Å²	124	82%	0.818	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-53.2	118.3	174.5	-24.6	33.8	0	0	0	109.4	Q17	P15-Q17 PolarHBondContact O-N 3.45Å
16	N	32	Very low	38.4	Very low	149 Å²	149	124.6 Å²	124.6	80%	0.797	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-64.9	125.8	175	-168.4	21.4	0	0	0	107.1	K14 G18	K14-N16 PolarHBondContact O-N 3.02Å; N16-G18 PolarHBondContact O-N 3.33Å
17	Q	40.7	Very low	39.5	Very low	144 Å²	144	119.4 Å²	119.4	67%	0.673	64%	0.642	S	S	*	*			trans	-63.6	113.3	176.3	-74.2	-179.9	-15.1	0	0	107.8	P15 R19	P15-Q17 PolarHBondContact O-N 3.45Å; Q17-R19 VanDerWaalsContact C-N 3.27Å; Q17-R19 PolarHBondContact O-N 3.03Å
18	G	39.7	Very low	40.8	Very low	12 Å²	12	123.4 Å²	123.4	12%	0.124	64%	0.639	C	S	.	*			trans	-64.8	77.7	-169.2	0	0	0	0	0	113.6	N16 G20 S42	N16-G18 PolarHBondContact O-N 3.33Å; G18-G20 VanDerWaalsContact C-N 3.26Å; G18-G20 PolarHBondContact O-N 2.88Å; G18-S42 PolarHBondContact O-OG 2.59Å
19	R	45.5	Very low	42.6	Very low	200 Å²	200	119 Å²	119	76%	0.755	61%	0.61	S	S	*	*	B	Isolated β-bridge	trans	-71.1	84.3	167.8	-69.7	-174.2	178.2	-166.8	-0.5	108	Q17 Q21	Q17-R19 VanDerWaalsContact C-N 3.27Å; Q17-R19 PolarHBondContact O-N 3.03Å; R19-Q21 PolarHBondContact O-N 3.03Å
20	G	48.3	Very low	44.5	Very low	7 Å²	7	113.3 Å²	113.3	7%	0.072	59%	0.591	C	S	.	*	P	Polyproline II helix	trans	-53	125.8	-178.7	0	0	0	0	0	111	G18 P44	G18-G20 VanDerWaalsContact C-N 3.26Å; G18-G20 PolarHBondContact O-N 2.88Å; G20-P44 WeakPolarHBondContact O-CB 3.41Å; G20-P44 WeakPolarHBondContact O-CG 3.28Å
21	Q	52.7	Low	46.8	Very low	124 Å²	124	109.3 Å²	109.3	58%	0.579	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-66.4	154.8	-179.4	-63.8	-178.8	3.2	0	0	110.8	R19 S30 R287	R19-Q21 PolarHBondContact O-N 3.03Å; Q21-S30 PolarHBondContact OE1-OG 3.06Å; Q21-R287 PolarHBondContact O-NH1 2.82Å; Q21-R287 PolarHBondContact O-NH2 2.83Å
22	M	55.7	Low	49.2	Very low	94 Å²	94	103.9 Å²	103.9	46%	0.463	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-76.2	171.1	164.2	-78.4	-164.7	165.2	0	0	110.6	P44 V46	M22-P44 HydrophobicContact CG-CG 4.24Å; M22-V46 HydrophobicContact CE-CB 4.01Å; M22-V46 HydrophobicContact CE-CG1 3.48Å; M22-V46 VanDerWaalsContact CE-CG1 3.48Å; M22-V46 HydrophobicContact CE-CG2 3.35Å
23	A	55.4	Low	51.7	Low	43 Å²	43	104.4 Å²	104.4	36%	0.355	55%	0.546	S	S	.	.	B	Isolated β-bridge	trans	-62.3	152.5	166.5	0	0	0	0	0	111.9	Y28	A23-Y28 CarbonylContact C-O 3.53Å; A23-Y28 WeakPolarHBondContact CA-O 3.29Å
24	D	48.3	Very low	54.3	Low	80 Å²	80	102.2 Å²	102.2	43%	0.428	54%	0.541	S	S	.	.			trans	-80	-169.6	176.3	69.4	18.3	0	0	0	113.1	D26 G27 Y28	D24-D26 VanDerWaalsContact C-N 3.25Å; D24-D26 PolarHBondContact O-N 3.37Å; D24-D26 WeakPolarHBondContact OD1-CA 3.4Å; D24-D26 PolarHBondContact OD1-N 3.18Å; D24-G27 PolarHBondContact O-N 3.47Å; D24-G27 PolarHBondContact OD1-N 3.3Å; D24-Y28 PolarHBondContact N-O 2.84Å; D24-Y28 PolarHBondContact OD1-N 3.4Å
25	K	49.2	Very low	57.1	Low	211 Å²	211	95.2 Å²	95.2	92%	0.917	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.3	-179.3	-69.8	-173.9	177	-178.9	0	114.1
26	D	50.5	Low	59.6	Low	133 Å²	133	93.3 Å²	93.3	71%	0.711	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-1.8	-180	-59.6	-33.8	0	0	0	111.2	D24 Y28	D24-D26 VanDerWaalsContact C-N 3.25Å; D24-D26 PolarHBondContact O-N 3.37Å; D24-D26 WeakPolarHBondContact OD1-CA 3.4Å; D24-D26 PolarHBondContact OD1-N 3.18Å; D26-Y28 HydrophobicContact CB-CD2 3.74Å; D26-Y28 HydrophobicContact CB-CE2 3.78Å
27	G	54.9	Low	62.2	Low	53 Å²	53	92 Å²	92	55%	0.546	48%	0.484	S	S	.	.	S	Bend	trans	90.5	8.1	177.6	0	0	0	0	0	114.4	D24	D24-G27 PolarHBondContact O-N 3.47Å; D24-G27 PolarHBondContact OD1-N 3.3Å
28	Y	58.4	Low	64.5	Low	147 Å²	147	87.1 Å²	87.1	58%	0.576	46%	0.462	S	S	*	.			trans	-84	137	179.9	-62.1	-68.7	0	0	0	111.9	A23 D24 D26	A23-Y28 CarbonylContact C-O 3.53Å; A23-Y28 WeakPolarHBondContact CA-O 3.29Å; D24-Y28 PolarHBondContact N-O 2.84Å; D24-Y28 PolarHBondContact OD1-N 3.4Å; D26-Y28 HydrophobicContact CB-CD2 3.74Å; D26-Y28 HydrophobicContact CB-CE2 3.78Å
29	L	67.4	Low	66.9	Low	47 Å²	47	91.2 Å²	91.2	25%	0.246	49%	0.486	C	S	.	.	B	Isolated β-bridge	trans	-92.8	101.6	179	-171.6	66.6	0	0	0	110.5	V31 A165 L200	L29-V31 HydrophobicContact CD2-CG2 4.39Å; L29-V31 HydrophobicContact CG-CG2 4.17Å; L29-V31 PolarHBondContact O-N 3.27Å; L29-A165 HydrophobicContact CD1-CB 4.25Å; L29-A165 HydrophobicContact CD2-CB 4.49Å; L29-L200 HydrophobicContact CD2-CD1 4.32Å; L29-L200 HydrophobicContact CD2-CD2 4.36Å
30	S	67.9	Low	69.1	Low	57 Å²	57	87.8 Å²	87.8	40%	0.399	48%	0.479	S	S	.	.			trans	-71.4	119.6	172.4	44.9	0	0	0	0	111.3	Q21	Q21-S30 PolarHBondContact OE1-OG 3.06Å
31	V	75.6	Confident	71.2	Confident	60 Å²	60	88.2 Å²	88.2	36%	0.364	48%	0.479	S	S	.	.			trans	-127.6	132.1	170.7	-174.8	0	0	0	0	107.7	L29 D35 L36 L41	L29-V31 HydrophobicContact CD2-CG2 4.39Å; L29-V31 HydrophobicContact CG-CG2 4.17Å; L29-V31 PolarHBondContact O-N 3.27Å; V31-D35 HydrophobicContact CG1-CB 3.79Å; V31-L36 HydrophobicContact CG1-CB 4.3Å; V31-L41 HydrophobicContact CG1-CD2 4.23Å
32	S	78	Confident	73.1	Confident	53 Å²	53	82.6 Å²	82.6	37%	0.371	45%	0.454	S	S	.	.			trans	-76.6	155	177.1	83.5	0	0	0	0	110.7	A34 D35 L36	S32-A34 PolarHBondContact O-N 3.02Å; S32-A34 PolarHBondContact OG-N 2.93Å; S32-D35 WeakPolarHBondContact CB-OD2 3.45Å; S32-D35 PolarHBondContact O-N 2.96Å; S32-D35 VanDerWaalsContact OG-CG 3.31Å; S32-D35 PolarHBondContact OG-N 3.42Å; S32-D35 PolarHBondContact OG-OD2 2.72Å; S32-L36 PolarHBondContact O-N 3.01Å
33	M	78.4	Confident	74.8	Confident	136 Å²	136	78.6 Å²	78.6	67%	0.67	43%	0.434	S	S	*	.	H	α-helix	trans	-59.3	-27.4	173.8	-71.7	-56.8	-56	0	0	112.8	L36 H37	M33-L36 HydrophobicContact CE-CD2 4.2Å; M33-L36 HydrophobicContact SD-CD2 4.21Å; M33-H37 PolarHBondContact O-CD2 2.9Å
34	A	84.2	Confident	76.2	Confident	79 Å²	79	78 Å²	78	65%	0.653	43%	0.426	S	S	*	.	H	α-helix	trans	-72.6	-38.5	174.2	0	0	0	0	0	111.9	S32 N38	S32-A34 PolarHBondContact O-N 3.02Å; S32-A34 PolarHBondContact OG-N 2.93Å; A34-N38 WeakPolarHBondContact O-CB 3.47Å; A34-N38 PolarHBondContact O-N 2.92Å
35	D	86.9	Confident	78.1	Confident	45 Å²	45	77.2 Å²	77.2	24%	0.241	42%	0.424	C	S	.	.	H	α-helix	trans	-74.1	-32.8	177	-68.7	-63.2	0	0	0	112.7	V31 S32 H37 N38 L41	V31-D35 HydrophobicContact CG1-CB 3.79Å; S32-D35 WeakPolarHBondContact CB-OD2 3.45Å; S32-D35 PolarHBondContact O-N 2.96Å; S32-D35 VanDerWaalsContact OG-CG 3.31Å; S32-D35 PolarHBondContact OG-N 3.42Å; S32-D35 PolarHBondContact OG-OD2 2.72Å; D35-H37 VanDerWaalsContact C-N 3.29Å; D35-H37 PolarHBondContact O-N 3.37Å; D35-N38 VanDerWaalsContact O-CB 3.29Å; D35-N38 WeakPolarHBondContact O-CB 3.38Å; D35-N38 PolarHBondContact O-N 2.95Å; D35-L41 HydrophobicContact CB-CD1 4.13Å; D35-L41 HydrophobicContact CB-CD2 4.3Å
36	L	82.7	Confident	79.8	Confident	86 Å²	86	69 Å²	69	45%	0.45	39%	0.392	S	S	.	.	H	α-helix	trans	-59.9	-38	-178.3	-176.4	63.4	0	0	0	112.6	V31 S32 M33	V31-L36 HydrophobicContact CG1-CB 4.3Å; S32-L36 PolarHBondContact O-N 3.01Å; M33-L36 HydrophobicContact CE-CD2 4.2Å; M33-L36 HydrophobicContact SD-CD2 4.21Å
37	H	86.8	Confident	81.3	Confident	121 Å²	121	63 Å²	63	56%	0.56	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	11.3	176.3	-56.4	-74.3	0	0	0	113	M33 D35 P39	M33-H37 PolarHBondContact O-CD2 2.9Å; D35-H37 VanDerWaalsContact C-N 3.29Å; D35-H37 PolarHBondContact O-N 3.37Å; H37-P39 VanDerWaalsContact O-CD 3.28Å; H37-P39 WeakPolarHBondContact O-CD 3.46Å
38	N	88.5	Confident	82.2	Confident	41 Å²	41	62.8 Å²	62.8	22%	0.219	35%	0.349	C	S	.	.			trans	-83.3	110.5	-179.4	179.9	2.2	0	0	0	110.4	A34 D35 H40 L41	A34-N38 WeakPolarHBondContact O-CB 3.47Å; A34-N38 PolarHBondContact O-N 2.92Å; D35-N38 VanDerWaalsContact O-CB 3.29Å; D35-N38 WeakPolarHBondContact O-CB 3.38Å; D35-N38 PolarHBondContact O-N 2.95Å; N38-H40 PolarHBondContact O-N 2.89Å; N38-H40 WeakPolarHBondContact OD1-CA 3.46Å; N38-H40 WeakPolarHBondContact OD1-CB 3.27Å; N38-H40 PolarHBondContact OD1-N 3.44Å; N38-L41 HydrophobicContact CB-CB 4.29Å; N38-L41 WeakPolarHBondContact O-CB 3.44Å; N38-L41 PolarHBondContact O-N 2.95Å
39	P	90.3	Very high	82.6	Confident	98 Å²	98	63 Å²	63	64%	0.636	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-1.3	178.8	31.8	-37.5	0	0	0	113.3	H37 L288	H37-P39 VanDerWaalsContact O-CD 3.28Å; H37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-L288 WeakPolarHBondContact O-CD1 3.21Å
40	H	91.6	Very high	82.4	Confident	128 Å²	128	69.5 Å²	69.5	59%	0.593	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	9.7	176.1	-48.2	-45.6	0	0	0	112.9	N38 S42	N38-H40 PolarHBondContact O-N 2.89Å; N38-H40 WeakPolarHBondContact OD1-CA 3.46Å; N38-H40 WeakPolarHBondContact OD1-CB 3.27Å; N38-H40 PolarHBondContact OD1-N 3.44Å; H40-S42 PolarHBondContact O-N 2.84Å
41	L	90.8	Very high	82.2	Confident	16 Å²	16	72.6 Å²	72.6	8%	0.084	40%	0.403	C	S	.	.			trans	-60.9	127.1	172.7	178.4	61.4	0	0	0	109.6	V31 D35 N38 R287 L288	V31-L41 HydrophobicContact CG1-CD2 4.23Å; D35-L41 HydrophobicContact CB-CD1 4.13Å; D35-L41 HydrophobicContact CB-CD2 4.3Å; N38-L41 HydrophobicContact CB-CB 4.29Å; N38-L41 WeakPolarHBondContact O-CB 3.44Å; N38-L41 PolarHBondContact O-N 2.95Å; L41-R287 HydrophobicContact CD2-CG 4.07Å; L41-R287 HydrophobicContact CG-CG 4.02Å; L41-L288 PolarHBondContact O-N 3.22Å
42	S	92.7	Very high	82.1	Confident	6 Å²	6	72.7 Å²	72.7	4%	0.042	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-121.1	155.4	-174.3	67.9	0	0	0	0	112.6	G18 H40 R287 L288	G18-S42 PolarHBondContact O-OG 2.59Å; H40-S42 PolarHBondContact O-N 2.84Å; S42-R287 WeakPolarHBondContact O-CD 3.44Å; S42-L288 VanDerWaalsContact CA-O 3.3Å; S42-L288 WeakPolarHBondContact CA-O 3.5Å
43	Y	91.4	Very high	82.3	Confident	11 Å²	11	78.6 Å²	78.6	4%	0.043	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-63.6	140.5	166.9	-64.4	-79.2	0	0	0	110.1	V45 A165 P167 D205 L285 T286 R287 L288 F289	Y43-V45 PolarHBondContact O-N 3.31Å; Y43-A165 WeakPolarHBondContact CD1-O 3.27Å; Y43-P167 HydrophobicContact CD1-CG 4.5Å; Y43-P167 HydrophobicContact CD2-CB 4.18Å; Y43-P167 HydrophobicContact CD2-CG 3.78Å; Y43-P167 HydrophobicContact CE2-CB 3.84Å; Y43-P167 HydrophobicContact CE2-CG 3.97Å; Y43-P167 HydrophobicContact CG-CG 4.06Å; Y43-D205 HydrophobicContact CE1-CB 4.1Å; Y43-D205 WeakPolarHBondContact OH-CB 3.49Å; Y43-D205 PolarHBondContact OH-OD1 3.15Å; Y43-L285 HydrophobicContact CE2-CB 4.42Å; Y43-L285 HydrophobicContact CE2-CD2 4.2Å; Y43-L285 VanDerWaalsContact OH-CA 3.28Å; Y43-L285 WeakPolarHBondContact OH-CA 3.28Å; Y43-L285 WeakPolarHBondContact OH-CD2 3.42Å; Y43-T286 PolarHBondContact OH-N 3.42Å; Y43-R287 HydrophobicContact CD1-CB 4.09Å; Y43-R287 HydrophobicContact CD1-CG 4.33Å; Y43-R287 HydrophobicContact CD2-CB 3.85Å; Y43-R287 HydrophobicContact CE1-CB 4.04Å; Y43-R287 HydrophobicContact CE1-CG 4.23Å; Y43-R287 HydrophobicContact CE2-CB 3.82Å; Y43-R287 WeakPolarHBondContact CE2-O 3.42Å; Y43-R287 HydrophobicContact CG-CB 3.99Å; Y43-L288 WeakPolarHBondContact CD2-O 3.33Å; Y43-L288 PolarHBondContact N-O 3.4Å; Y43-F289 HydrophobicContact CD2-CB 3.79Å; Y43-F289 HydrophobicContact CD2-CD2 4.31Å; Y43-F289 HydrophobicContact CD2-CG 4.48Å; Y43-F289 HydrophobicContact CE2-CB 4.04Å
44	P	86.5	Confident	82.8	Confident	29 Å²	29	74.8 Å²	74.8	19%	0.188	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-61.6	138.2	173.9	25	-32.5	0	0	0	110.8	G20 M22 V46	G20-P44 WeakPolarHBondContact O-CB 3.41Å; G20-P44 WeakPolarHBondContact O-CG 3.28Å; M22-P44 HydrophobicContact CG-CG 4.24Å; P44-V46 PolarHBondContact O-N 2.81Å
45	V	86.5	Confident	83.2	Confident	65 Å²	65	74.5 Å²	74.5	39%	0.394	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-72.9	119.6	160.5	-179.4	0	0	0	0	107	Y43 L294	Y43-V45 PolarHBondContact O-N 3.31Å; V45-L294 HydrophobicContact CG2-CB 4.48Å; V45-L294 HydrophobicContact CG2-CD1 4.17Å; V45-L294 HydrophobicContact CG2-CG 4.1Å
46	V	85.6	Confident	83.6	Confident	39 Å²	39	73.4 Å²	73.4	24%	0.236	39%	0.389	C	S	.	.			trans	-98.9	-38.4	-175	-171	0	0	0	0	110.2	M22 P44 S121 Y123 D124	M22-V46 HydrophobicContact CE-CB 4.01Å; M22-V46 HydrophobicContact CE-CG1 3.48Å; M22-V46 VanDerWaalsContact CE-CG1 3.48Å; M22-V46 HydrophobicContact CE-CG2 3.35Å; P44-V46 PolarHBondContact O-N 2.81Å; V46-S121 WeakPolarHBondContact CG1-O 3.49Å; V46-Y123 WeakPolarHBondContact CB-O 3.3Å; V46-Y123 WeakPolarHBondContact CG2-O 3.24Å; V46-D124 PolarHBondContact N-OD1 3.02Å
47	S	81.8	Confident	84.2	Confident	7 Å²	7	69.3 Å²	69.3	5%	0.049	37%	0.368	C	S	.	.	S	Bend	trans	-61.9	131.5	177.3	57.9	0	0	0	0	110.9	N49 D124	S47-N49 PolarHBondContact O-N 3.24Å; S47-D124 WeakPolarHBondContact CB-OD1 3.05Å; S47-D124 PolarHBondContact N-OD1 3.16Å; S47-D124 VanDerWaalsContact OG-CG 3.23Å; S47-D124 PolarHBondContact OG-OD1 2.95Å; S47-D124 PolarHBondContact OG-OD2 2.86Å; S47-D124 VanDerWaalsContact OG-OD2 3.09Å
48	P	74.9	Confident	84.7	Confident	48 Å²	48	64.2 Å²	64.2	31%	0.312	35%	0.345	S	S	.	.			trans	-80.9	120.9	-167.2	31.7	-35.7	0	0	0	111.1	R50 F54	P48-R50 HydrophobicContact CB-CG 3.97Å; P48-R50 HydrophobicContact CG-CG 4.3Å; P48-R50 PolarHBondContact O-N 3Å; P48-F54 HydrophobicContact CG-CB 4.41Å; P48-F54 WeakPolarHBondContact O-CE1 3.3Å
49	N	65	Low	85.2	Confident	152 Å²	152	62.3 Å²	62.3	81%	0.813	33%	0.334	S	S	*	.			trans	-73	68.6	174.9	-167	9.5	0	0	0	111.4	S47	S47-N49 PolarHBondContact O-N 3.24Å
50	R	65.1	Low	85.6	Confident	183 Å²	183	57.8 Å²	57.8	69%	0.691	31%	0.305	S	S	*	.	S	Bend	trans	-144.4	164.9	-176.3	73.1	-175.6	176.7	-179.7	-2.2	111.9	P48 G52	P48-R50 HydrophobicContact CB-CG 3.97Å; P48-R50 HydrophobicContact CG-CG 4.3Å; P48-R50 PolarHBondContact O-N 3Å; R50-G52 PolarHBondContact O-N 3.38Å
51	S	61.8	Low	86	Confident	122 Å²	122	51.7 Å²	51.7	85%	0.853	28%	0.277	S	S	*	.	S	Bend	trans	-62.8	130.6	172.7	44.3	0	0	0	0	112.2
52	G	74.6	Confident	86.3	Confident	61 Å²	61	51 Å²	51	63%	0.629	27%	0.273	S	S	*	.	S	Bend	trans	139.5	163.5	-177.5	0	0	0	0	0	111.6	R50 F54	R50-G52 PolarHBondContact O-N 3.38Å; G52-F54 PolarHBondContact O-N 3.32Å
53	K	81.3	Confident	86.6	Confident	178 Å²	178	50.7 Å²	50.7	77%	0.774	27%	0.271	S	S	*	.			trans	-82.6	106.7	174.8	-172.4	-178.6	179.9	-175	0	109.6	Y55	K53-Y55 WeakPolarHBondContact CE-OH 3.22Å; K53-Y55 PolarHBondContact NZ-OH 3.03Å; K53-Y55 VanDerWaalsContact NZ-OH 3.15Å
54	F	89.4	Confident	87	Confident	56 Å²	56	50.1 Å²	50.1	25%	0.246	27%	0.269	C	S	.	.			trans	-123.8	164.5	169.6	72.8	-88.3	0	0	0	110	P48 G52 R56 N94	P48-F54 HydrophobicContact CG-CB 4.41Å; P48-F54 WeakPolarHBondContact O-CE1 3.3Å; G52-F54 PolarHBondContact O-N 3.32Å; F54-R56 HydrophobicContact CE2-CG 3.98Å; F54-N94 WeakPolarHBondContact CE2-ND2 3.47Å; F54-N94 PolarHBondContact O-ND2 3.32Å; F54-N94 PolarHBondContact O-OD1 3.46Å
55	Y	94	Very high	87.5	Confident	73 Å²	73	51.1 Å²	51.1	29%	0.286	27%	0.269	S	S	.	.			trans	-125.2	152.1	169.4	-68.6	-68.9	0	0	0	109.5	K53 N94 K96 Y123	K53-Y55 WeakPolarHBondContact CE-OH 3.22Å; K53-Y55 PolarHBondContact NZ-OH 3.03Å; K53-Y55 VanDerWaalsContact NZ-OH 3.15Å; Y55-N94 WeakPolarHBondContact CA-O 3.3Å; Y55-K96 HydrophobicContact CD1-CB 4.08Å; Y55-K96 HydrophobicContact CD2-CB 3.85Å; Y55-K96 HydrophobicContact CD2-CG 4.42Å; Y55-K96 HydrophobicContact CE1-CB 4.36Å; Y55-K96 HydrophobicContact CE2-CB 4.16Å; Y55-K96 HydrophobicContact CE2-CG 4.38Å; Y55-K96 HydrophobicContact CG-CB 3.8Å; Y55-Y123 WeakPolarHBondContact O-CD1 3.05Å
56	R	94.1	Very high	88.1	Confident	21 Å²	21	50 Å²	50	8%	0.079	26%	0.26	C	S	.	.	S	Bend	trans	-86.3	-18.8	178.8	-60.5	-166.5	60.4	-142.1	-15.2	113.3	F54 N94 Y95 D124 S125 Y290 I291	F54-R56 HydrophobicContact CE2-CG 3.98Å; R56-N94 HydrophobicContact CG-CB 4.31Å; R56-N94 PolarHBondContact N-O 3.44Å; R56-Y95 HydrophobicContact CB-CE2 4.28Å; R56-D124 IonicContact CZ-OD2 2.7Å; R56-D124 IonicContact NE-OD2 3.18Å; R56-D124 PolarHBondContact NE-OD2 2.86Å; R56-D124 IonicContact NH2-OD2 2.59Å; R56-D124 PolarHBondContact NH2-OD2 3.28Å; R56-D124 WeakPolarHBondContact O-CB 2.98Å; R56-D124 PolarHBondContact O-N 2.81Å; R56-S125 PolarHBondContact O-N 3.35Å; R56-Y290 PolarHBondContact NH2-O 2.99Å; R56-I291 PolarHBondContact NH1-O 3.05Å
57	G	96.2	Very high	88.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	169.7	176.5	0	0	0	0	0	111.4	Y95 K96 S125	G57-Y95 WeakPolarHBondContact O-CA 3.25Å; G57-Y95 WeakPolarHBondContact O-CD1 2.89Å; G57-K96 PolarHBondContact O-N 3.17Å; G57-S125 WeakPolarHBondContact CA-O 3.38Å
58	E	97.5	Very high	89.4	Confident	15 Å²	15	53.7 Å²	53.7	7%	0.07	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	141.7	162.4	-179.9	135.6	-135	0	0	109.9	I60 K96 T98 Y123 F126 I127	E58-I60 HydrophobicContact CG-CG1 4.09Å; E58-K96 VanDerWaalsContact OE1-CE 3.24Å; E58-K96 WeakPolarHBondContact OE1-CE 3.44Å; E58-K96 IonicContact OE1-NZ 2.95Å; E58-K96 PolarHBondContact OE1-NZ 3.01Å; E58-K96 IonicContact OE2-NZ 3.66Å; E58-K96 PolarHBondContact OE2-NZ 2.97Å; E58-T98 PolarHBondContact OE1-OG1 2.89Å; E58-T98 VanDerWaalsContact OE1-OG1 3.1Å; E58-Y123 HydrophobicContact CB-CE2 4.2Å; E58-F126 HydrophobicContact CB-CD2 4.24Å; E58-F126 HydrophobicContact CB-CE2 4.39Å; E58-F126 HydrophobicContact CG-CE2 4.34Å; E58-I127 PolarHBondContact O-N 3.23Å
59	C	98.6	Very high	90.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	103.6	175.3	176.7	0	0	0	0	109.2	F90 Y95 K96 V97 T98 I127	C59-F90 HydrophobicContact CB-CB 4.45Å; C59-Y95 HydrophobicContact CB-CD1 4.39Å; C59-Y95 HydrophobicContact CB-CG 4.45Å; C59-K96 PolarHBondContact N-O 2.82Å; C59-V97 HydrophobicContact CB-CG2 4.05Å; C59-V97 CarbonylContact O-C 3.4Å; C59-V97 VanDerWaalsContact O-CA 3.31Å; C59-V97 WeakPolarHBondContact O-CA 3.48Å; C59-T98 PolarHBondContact O-N 2.97Å; C59-I127 CarbonylContact C-O 3.6Å; C59-I127 VanDerWaalsContact CA-O 3.29Å; C59-I127 WeakPolarHBondContact CA-O 3.45Å; C59-I127 HydrophobicContact CB-CB 4.13Å; C59-I127 HydrophobicContact CB-CG2 4.44Å
60	I	98.7	Very high	92	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.9	176.6	-60.2	-178.1	0	0	0	108.7	E58 I62 T111 A115 F126 I127 F128 V129	E58-I60 HydrophobicContact CG-CG1 4.09Å; I60-I62 HydrophobicContact CG2-CD1 3.72Å; I60-I62 HydrophobicContact CG2-CG1 4.13Å; I60-T111 HydrophobicContact CD1-CG2 4.07Å; I60-T111 HydrophobicContact CG2-CG2 4.3Å; I60-A115 HydrophobicContact CD1-CB 3.63Å; I60-F126 HydrophobicContact CD1-CE2 4.06Å; I60-F126 HydrophobicContact CD1-CZ 3.99Å; I60-F126 HydrophobicContact CG1-CE2 4.24Å; I60-F126 HydrophobicContact CG1-CZ 4.29Å; I60-I127 PolarHBondContact N-O 3.01Å; I60-F128 HydrophobicContact CB-CD2 3.92Å; I60-F128 HydrophobicContact CB-CE2 4.43Å; I60-F128 HydrophobicContact CG2-CD2 3.95Å; I60-F128 HydrophobicContact CG2-CE2 3.94Å; I60-F128 CarbonylContact O-C 3.57Å; I60-F128 WeakPolarHBondContact O-CA 3.45Å; I60-V129 PolarHBondContact O-N 3.38Å
61	L	98.8	Very high	93.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	104.7	180	168.7	55.2	0	0	0	110	A83 V86 E87 V97 T98 R99 I100 V129 L131	L61-A83 HydrophobicContact CD2-CB 4.24Å; L61-A83 WeakPolarHBondContact CD2-O 3.32Å; L61-V86 HydrophobicContact CD1-CB 4.36Å; L61-V86 HydrophobicContact CD1-CG1 3.95Å; L61-V86 HydrophobicContact CD2-CB 4.1Å; L61-V86 HydrophobicContact CD2-CG1 3.9Å; L61-V86 HydrophobicContact CG-CG1 4.38Å; L61-E87 HydrophobicContact CD2-CB 3.94Å; L61-V97 HydrophobicContact CB-CG1 4.3Å; L61-T98 PolarHBondContact N-O 2.63Å; L61-R99 HydrophobicContact CB-CB 4.42Å; L61-R99 HydrophobicContact CD2-CB 4.3Å; L61-R99 HydrophobicContact CD2-CG 4.07Å; L61-R99 HydrophobicContact CG-CB 4.43Å; L61-R99 HydrophobicContact CG-CG 4.15Å; L61-R99 CarbonylContact O-C 3.58Å; L61-R99 WeakPolarHBondContact O-CA 3.22Å; L61-I100 PolarHBondContact O-N 3.22Å; L61-V129 HydrophobicContact CD1-CB 4.07Å; L61-V129 HydrophobicContact CD1-CG1 3.97Å; L61-L131 HydrophobicContact CD1-CD1 4.09Å; L61-L131 HydrophobicContact CD1-CG 4.27Å
62	I	98.7	Very high	95.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.8	175.1	-54.1	-53.2	0	0	0	109.4	I60 Q64 I100 I103 F128 V129 M130 L131	I60-I62 HydrophobicContact CG2-CD1 3.72Å; I60-I62 HydrophobicContact CG2-CG1 4.13Å; I62-Q64 HydrophobicContact CG2-CG 4.01Å; I62-I100 HydrophobicContact CD1-CB 3.93Å; I62-I100 HydrophobicContact CD1-CD1 4.01Å; I62-I100 HydrophobicContact CD1-CG1 4.27Å; I62-I103 HydrophobicContact CD1-CD1 3.77Å; I62-I103 HydrophobicContact CD1-CG2 4.44Å; I62-I103 HydrophobicContact CG2-CB 4.29Å; I62-I103 HydrophobicContact CG2-CG2 3.45Å; I62-I103 VanDerWaalsContact CG2-CG2 3.45Å; I62-F128 HydrophobicContact CG1-CE2 3.83Å; I62-F128 HydrophobicContact CG1-CZ 3.69Å; I62-V129 PolarHBondContact N-O 3.49Å; I62-M130 HydrophobicContact CB-CB 4.07Å; I62-M130 HydrophobicContact CB-CG 3.82Å; I62-M130 HydrophobicContact CB-SD 4.34Å; I62-M130 HydrophobicContact CG2-CE 3.94Å; I62-M130 HydrophobicContact CG2-CG 3.82Å; I62-M130 HydrophobicContact CG2-SD 4.06Å; I62-M130 WeakPolarHBondContact O-CA 3.34Å; I62-L131 PolarHBondContact O-N 2.91Å
63	N	98.7	Very high	96.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	101.1	-177.9	-179.9	43.2	0	0	0	110.1	T79 D80 A83 I100 L101 N102	N63-T79 WeakPolarHBondContact OD1-CB 3.46Å; N63-T79 WeakPolarHBondContact OD1-CG2 3.38Å; N63-T79 PolarHBondContact OD1-O 3.49Å; N63-T79 PolarHBondContact OD1-OG1 3.41Å; N63-D80 PolarHBondContact ND2-OD1 3.05Å; N63-A83 HydrophobicContact CB-CB 3.92Å; N63-I100 PolarHBondContact N-O 2.94Å; N63-L101 WeakPolarHBondContact ND2-CD1 3.43Å; N63-L101 WeakPolarHBondContact O-CA 3.28Å; N63-N102 PolarHBondContact O-N 3.08Å
64	Q	98.5	Very high	96.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.			trans	-95.7	106.4	-177.9	-53.7	-63.3	88.8	0	0	109.7	I62 F67 R76 N102 I103 M130 L131 S132 N142	I62-Q64 HydrophobicContact CG2-CG 4.01Å; Q64-F67 HydrophobicContact CB-CE1 3.94Å; Q64-F67 HydrophobicContact CB-CZ 3.62Å; Q64-R76 WeakPolarHBondContact O-CD 3.4Å; Q64-R76 PolarHBondContact O-NH1 2.6Å; Q64-N102 VanDerWaalsContact OE1-CA 3.3Å; Q64-I103 PolarHBondContact NE2-O 3.48Å; Q64-M130 HydrophobicContact CG-CE 3.92Å; Q64-L131 WeakPolarHBondContact CB-O 3.38Å; Q64-L131 PolarHBondContact N-O 3.49Å; Q64-S132 WeakPolarHBondContact CB-OG 3.41Å; Q64-S132 WeakPolarHBondContact CG-OG 3.48Å; Q64-N142 VanDerWaalsContact NE2-N 3.17Å
65	R	98.3	Very high	97.1	Very high	50 Å²	50	45.5 Å²	45.5	19%	0.189	24%	0.235	C	C	.	.			trans	-104.9	-48.3	179	-171.1	179.6	65.5	-148.2	-8.6	112.2	R75 R76 T79 D80 L101 N102	R65-R75 HydrophobicContact CG-CG 4.32Å; R65-R75 CarbonylContact O-C 3.14Å; R65-R75 WeakPolarHBondContact O-CA 3.43Å; R65-R75 WeakPolarHBondContact O-CG 3.4Å; R65-R76 PolarHBondContact O-N 2.82Å; R65-T79 HydrophobicContact CB-CG2 3.54Å; R65-T79 HydrophobicContact CG-CG2 3.73Å; R65-D80 VanDerWaalsContact CD-OD2 3.23Å; R65-D80 WeakPolarHBondContact CD-OD2 3.15Å; R65-D80 IonicContact CZ-OD2 3.88Å; R65-D80 IonicContact NE-OD2 3.74Å; R65-D80 IonicContact NH1-OD1 2.69Å; R65-D80 IonicContact NH1-OD2 3.73Å; R65-D80 PolarHBondContact NH1-OD2 3.25Å; R65-L101 HydrophobicContact CB-CD1 4.09Å; R65-N102 WeakPolarHBondContact CA-OD1 3.4Å; R65-N102 PolarHBondContact N-OD1 3.02Å
66	D	98.1	Very high	97.2	Very high	41 Å²	41	42.2 Å²	42.2	22%	0.219	22%	0.222	C	C	.	.			trans	-119.3	136.4	-171.7	-37.9	-72.5	0	0	0	108.7	R75 N102 N142	D66-R75 WeakPolarHBondContact OD1-CD 3.07Å; D66-R75 IonicContact OD1-CZ 3.68Å; D66-R75 IonicContact OD1-NE 2.77Å; D66-R75 PolarHBondContact OD1-NE 2.91Å; D66-R75 IonicContact OD1-NH2 3.72Å; D66-N102 WeakPolarHBondContact CB-ND2 3.32Å; D66-N102 PolarHBondContact N-OD1 2.86Å; D66-N102 PolarHBondContact O-OD1 3.29Å; D66-N102 PolarHBondContact OD2-ND2 3.39Å; D66-N142 PolarHBondContact O-ND2 2.88Å
67	F	98.3	Very high	97.2	Very high	27 Å²	27	44.8 Å²	44.8	12%	0.118	24%	0.237	C	C	.	.			trans	-122.3	154.4	-171.6	-62.9	-92.5	0	0	0	111.4	Q64 Q73 R76 S132 H133 N142	Q64-F67 HydrophobicContact CB-CE1 3.94Å; Q64-F67 HydrophobicContact CB-CZ 3.62Å; F67-Q73 HydrophobicContact CB-CB 3.95Å; F67-Q73 HydrophobicContact CD1-CB 4.13Å; F67-Q73 HydrophobicContact CD1-CG 4.46Å; F67-Q73 HydrophobicContact CD2-CB 3.99Å; F67-Q73 HydrophobicContact CG-CB 3.75Å; F67-R76 HydrophobicContact CE2-CG 3.94Å; F67-R76 HydrophobicContact CZ-CG 4.47Å; F67-S132 WeakPolarHBondContact CZ-OG 3.37Å; F67-H133 AromaticContact CE2-CD2 3.57Å; F67-H133 AromaticContact CZ-CD2 3.72Å; F67-N142 WeakPolarHBondContact CA-ND2 3.33Å
68	H	97.8	Very high	97	Very high	96 Å²	96	45.5 Å²	45.5	44%	0.444	24%	0.244	S	C	.	.			trans	-68.4	136.4	174.1	-172.9	-102.5	0	0	0	110.1	S70 T71 N142	H68-S70 PolarHBondContact ND1-OG 2.79Å; H68-S70 PolarHBondContact O-N 3.46Å; H68-T71 WeakPolarHBondContact O-CB 3.38Å; H68-T71 WeakPolarHBondContact O-CG2 3.41Å; H68-T71 PolarHBondContact O-N 3.06Å; H68-T71 PolarHBondContact O-OG1 3.12Å; H68-N142 WeakPolarHBondContact CB-O 3.37Å; H68-N142 PolarHBondContact N-O 2.91Å
69	P	97	Very high	96.9	Very high	105 Å²	105	44.8 Å²	44.8	68%	0.682	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-54.9	-32	-172.8	-30.4	36.7	0	0	0	115.2	T71 N72	P69-T71 PolarHBondContact O-N 2.6Å; P69-T71 VanDerWaalsContact O-N 3.07Å; P69-N72 PolarHBondContact O-N 3.33Å
70	S	96.6	Very high	96.9	Very high	83 Å²	83	46.8 Å²	46.8	58%	0.58	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-63.5	-12.8	178.3	68.6	0	0	0	0	114.8	H68 N72	H68-S70 PolarHBondContact ND1-OG 2.79Å; H68-S70 PolarHBondContact O-N 3.46Å; S70-N72 VanDerWaalsContact C-N 3.34Å
71	T	96.3	Very high	96.9	Very high	17 Å²	17	49.2 Å²	49.2	10%	0.104	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-81.8	-14.3	175.7	66.2	0	0	0	0	113.1	H68 P69 Q73 N142	H68-T71 WeakPolarHBondContact O-CB 3.38Å; H68-T71 WeakPolarHBondContact O-CG2 3.41Å; H68-T71 PolarHBondContact O-N 3.06Å; H68-T71 PolarHBondContact O-OG1 3.12Å; P69-T71 PolarHBondContact O-N 2.6Å; P69-T71 VanDerWaalsContact O-N 3.07Å; T71-Q73 PolarHBondContact O-N 3.28Å; T71-Q73 PolarHBondContact O-NE2 2.89Å; T71-Q73 WeakPolarHBondContact OG1-CB 3.42Å; T71-Q73 PolarHBondContact OG1-N 3.41Å; T71-N142 WeakPolarHBondContact CG2-O 3.36Å
72	N	95.3	Very high	96.8	Very high	150 Å²	150	49.2 Å²	49.2	80%	0.802	27%	0.267	S	S	*	.			trans	53	16	-168.8	-58.3	-61.2	0	0	0	114.7	P69 S70	P69-N72 PolarHBondContact O-N 3.33Å; S70-N72 VanDerWaalsContact C-N 3.34Å
73	Q	95.9	Very high	96.8	Very high	57 Å²	57	49.2 Å²	49.2	27%	0.266	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-82.3	138.1	-179.4	-65	-52.7	-60.8	0	0	112.1	F67 T71 H133 Y140	F67-Q73 HydrophobicContact CB-CB 3.95Å; F67-Q73 HydrophobicContact CD1-CB 4.13Å; F67-Q73 HydrophobicContact CD1-CG 4.46Å; F67-Q73 HydrophobicContact CD2-CB 3.99Å; F67-Q73 HydrophobicContact CG-CB 3.75Å; T71-Q73 PolarHBondContact O-N 3.28Å; T71-Q73 PolarHBondContact O-NE2 2.89Å; T71-Q73 WeakPolarHBondContact OG1-CB 3.42Å; T71-Q73 PolarHBondContact OG1-N 3.41Å; Q73-H133 PolarHBondContact OE1-CD2 2.79Å; Q73-Y140 HydrophobicContact CG-CD1 3.74Å; Q73-Y140 HydrophobicContact CG-CD2 4.37Å; Q73-Y140 HydrophobicContact CG-CE1 3.89Å; Q73-Y140 HydrophobicContact CG-CE2 4.49Å; Q73-Y140 HydrophobicContact CG-CG 4.01Å
74	S	95.4	Very high	96.8	Very high	78 Å²	78	53.4 Å²	53.4	55%	0.545	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-77.2	156.3	177.1	60	0	0	0	0	112.5	R76 H133	S74-R76 PolarHBondContact O-N 2.79Å; S74-H133 PolarHBondContact O-NE2 3.41Å; S74-H133 PolarHBondContact OG-NE2 3.46Å
75	R	97	Very high	96.8	Very high	139 Å²	139	55.3 Å²	55.3	53%	0.525	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-62.7	134.7	173.9	-170.1	179.8	-171.2	-121	7.7	111.1	R65 D66 D77	R65-R75 HydrophobicContact CG-CG 4.32Å; R65-R75 CarbonylContact O-C 3.14Å; R65-R75 WeakPolarHBondContact O-CA 3.43Å; R65-R75 WeakPolarHBondContact O-CG 3.4Å; D66-R75 WeakPolarHBondContact OD1-CD 3.07Å; D66-R75 IonicContact OD1-CZ 3.68Å; D66-R75 IonicContact OD1-NE 2.77Å; D66-R75 PolarHBondContact OD1-NE 2.91Å; D66-R75 IonicContact OD1-NH2 3.72Å; R75-D77 WeakPolarHBondContact CD-OD1 3.41Å; R75-D77 WeakPolarHBondContact CG-OD1 3.16Å; R75-D77 IonicContact CZ-OD1 3.44Å; R75-D77 IonicContact NE-OD1 3.6Å; R75-D77 IonicContact NH1-OD1 2.67Å; R75-D77 PolarHBondContact NH1-OD1 3.02Å; R75-D77 PolarHBondContact O-N 3.39Å
76	R	96.6	Very high	96.8	Very high	3 Å²	3	53 Å²	53	1%	0.011	29%	0.288	C	S	.	.			trans	-92	66	179.9	-71	176.3	73.3	-93.8	3.4	112.3	Q64 R65 F67 S74 G78 T79 L131 S132 H133 R220	Q64-R76 WeakPolarHBondContact O-CD 3.4Å; Q64-R76 PolarHBondContact O-NH1 2.6Å; R65-R76 PolarHBondContact O-N 2.82Å; F67-R76 HydrophobicContact CE2-CG 3.94Å; F67-R76 HydrophobicContact CZ-CG 4.47Å; S74-R76 PolarHBondContact O-N 2.79Å; R76-G78 PolarHBondContact O-N 3.27Å; R76-T79 HydrophobicContact CB-CG2 4.4Å; R76-T79 VanDerWaalsContact NH1-CB 3.26Å; R76-T79 PolarHBondContact NH1-OG1 3.3Å; R76-T79 WeakPolarHBondContact O-CB 3.12Å; R76-T79 VanDerWaalsContact O-CG2 3.27Å; R76-T79 WeakPolarHBondContact O-CG2 3.32Å; R76-T79 PolarHBondContact O-N 3.29Å; R76-T79 VanDerWaalsContact O-N 3.12Å; R76-L131 PolarHBondContact NH1-O 3.01Å; R76-S132 VanDerWaalsContact CZ-C 3.49Å; R76-S132 VanDerWaalsContact CZ-CA 3.42Å; R76-S132 PolarHBondContact NE-O 3.45Å; R76-S132 PolarHBondContact NH2-O 2.96Å; R76-H133 VanDerWaalsContact CG-CE1 3.49Å; R76-H133 WeakPolarHBondContact CG-CE1 3.42Å; R76-H133 VanDerWaalsContact CG-NE2 3.33Å; R76-H133 WeakPolarHBondContact CG-NE2 3.37Å; R76-R220 VanDerWaalsContact C-NH1 3.32Å; R76-R220 PolarHBondContact O-NH1 2.87Å
77	D	92.6	Very high	96.8	Very high	75 Å²	75	53 Å²	53	40%	0.401	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	132.6	175	-67.2	-15.7	0	0	0	112	R75 R220	R75-D77 WeakPolarHBondContact CD-OD1 3.41Å; R75-D77 WeakPolarHBondContact CG-OD1 3.16Å; R75-D77 IonicContact CZ-OD1 3.44Å; R75-D77 IonicContact NE-OD1 3.6Å; R75-D77 IonicContact NH1-OD1 2.67Å; R75-D77 PolarHBondContact NH1-OD1 3.02Å; R75-D77 PolarHBondContact O-N 3.39Å; D77-R220 PolarHBondContact O-NH1 3.29Å; D77-R220 PolarHBondContact O-NH2 2.71Å
78	G	91.8	Very high	96.8	Very high	15 Å²	15	57.1 Å²	57.1	16%	0.155	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	-2.3	-175.4	0	0	0	0	0	116.3	R76 D80 V81 S222	R76-G78 PolarHBondContact O-N 3.27Å; G78-D80 PolarHBondContact O-N 3.13Å; G78-V81 WeakPolarHBondContact O-CB 3.41Å; G78-V81 PolarHBondContact O-N 3.15Å; G78-S222 WeakPolarHBondContact CA-O 3.13Å
79	T	96.9	Very high	96.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-25.2	178.6	-166.9	0	0	0	0	112.8	N63 R65 R76 V81 D82 A83	N63-T79 WeakPolarHBondContact OD1-CB 3.46Å; N63-T79 WeakPolarHBondContact OD1-CG2 3.38Å; N63-T79 PolarHBondContact OD1-O 3.49Å; N63-T79 PolarHBondContact OD1-OG1 3.41Å; R65-T79 HydrophobicContact CB-CG2 3.54Å; R65-T79 HydrophobicContact CG-CG2 3.73Å; R76-T79 HydrophobicContact CB-CG2 4.4Å; R76-T79 VanDerWaalsContact NH1-CB 3.26Å; R76-T79 PolarHBondContact NH1-OG1 3.3Å; R76-T79 WeakPolarHBondContact O-CB 3.12Å; R76-T79 VanDerWaalsContact O-CG2 3.27Å; R76-T79 WeakPolarHBondContact O-CG2 3.32Å; R76-T79 PolarHBondContact O-N 3.29Å; R76-T79 VanDerWaalsContact O-N 3.12Å; T79-V81 VanDerWaalsContact C-N 3.26Å; T79-V81 PolarHBondContact O-N 3.45Å; T79-D82 PolarHBondContact O-N 2.92Å; T79-A83 PolarHBondContact O-N 3.43Å
80	D	98	Very high	96.9	Very high	43 Å²	43	47.5 Å²	47.5	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-30.3	176.7	-63.5	-42.2	0	0	0	111.5	N63 R65 G78 D82 A83 D84 R99	N63-D80 PolarHBondContact ND2-OD1 3.05Å; R65-D80 VanDerWaalsContact CD-OD2 3.23Å; R65-D80 WeakPolarHBondContact CD-OD2 3.15Å; R65-D80 IonicContact CZ-OD2 3.88Å; R65-D80 IonicContact NE-OD2 3.74Å; R65-D80 IonicContact NH1-OD1 2.69Å; R65-D80 IonicContact NH1-OD2 3.73Å; R65-D80 PolarHBondContact NH1-OD2 3.25Å; G78-D80 PolarHBondContact O-N 3.13Å; D80-D82 PolarHBondContact O-N 3.13Å; D80-A83 PolarHBondContact O-N 3.3Å; D80-D84 VanDerWaalsContact O-CB 3.26Å; D80-D84 WeakPolarHBondContact O-CB 3.12Å; D80-D84 PolarHBondContact O-N 3.17Å; D80-R99 IonicContact OD1-NH2 2.96Å
81	V	97.4	Very high	96.9	Very high	54 Å²	54	48.6 Å²	48.6	33%	0.327	24%	0.242	S	C	.	.	H	α-helix	trans	-64.7	-40.1	174.1	-176.5	0	0	0	0	111.7	G78 T79 R85	G78-V81 WeakPolarHBondContact O-CB 3.41Å; G78-V81 PolarHBondContact O-N 3.15Å; T79-V81 VanDerWaalsContact C-N 3.26Å; T79-V81 PolarHBondContact O-N 3.45Å; V81-R85 WeakPolarHBondContact O-CB 3.37Å; V81-R85 PolarHBondContact O-N 3.19Å
82	D	97.9	Very high	96.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-46.1	174	-74.4	-26.8	0	0	0	110.9	T79 D80 R85 V86 L131 G225 S226 I229 Q230	T79-D82 PolarHBondContact O-N 2.92Å; D80-D82 PolarHBondContact O-N 3.13Å; D82-R85 PolarHBondContact O-N 2.63Å; D82-V86 VanDerWaalsContact O-CG2 3.29Å; D82-V86 WeakPolarHBondContact O-CG2 3.44Å; D82-V86 PolarHBondContact O-N 2.97Å; D82-L131 HydrophobicContact CB-CD1 3.75Å; D82-G225 WeakPolarHBondContact OD1-CA 3.18Å; D82-S226 VanDerWaalsContact CG-N 3.3Å; D82-S226 VanDerWaalsContact CG-OG 3.22Å; D82-S226 PolarHBondContact OD1-N 3.45Å; D82-S226 PolarHBondContact OD1-OG 2.98Å; D82-S226 VanDerWaalsContact OD2-CB 3.31Å; D82-S226 WeakPolarHBondContact OD2-CB 3.23Å; D82-S226 PolarHBondContact OD2-N 2.97Å; D82-S226 PolarHBondContact OD2-OG 2.86Å; D82-I229 HydrophobicContact CB-CB 4.34Å; D82-I229 HydrophobicContact CB-CG2 3.88Å; D82-Q230 PolarHBondContact OD1-NE2 3Å
83	A	98.5	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.7	-43.3	-178	0	0	0	0	0	112.9	L61 N63 T79 D80 R85 V86 E87 L131	L61-A83 HydrophobicContact CD2-CB 4.24Å; L61-A83 WeakPolarHBondContact CD2-O 3.32Å; N63-A83 HydrophobicContact CB-CB 3.92Å; T79-A83 PolarHBondContact O-N 3.43Å; D80-A83 PolarHBondContact O-N 3.3Å; A83-R85 VanDerWaalsContact C-N 3.26Å; A83-R85 PolarHBondContact O-N 2.81Å; A83-V86 PolarHBondContact O-N 2.81Å; A83-E87 VanDerWaalsContact O-CB 3.23Å; A83-E87 WeakPolarHBondContact O-CB 3.24Å; A83-E87 PolarHBondContact O-N 3.07Å; A83-L131 HydrophobicContact CB-CD1 3.91Å
84	D	98.5	Very high	96.8	Very high	89 Å²	89	44.1 Å²	44.1	48%	0.476	22%	0.224	S	C	.	.	H	α-helix	trans	-58.6	-40.7	174.4	-69.7	-5.8	0	0	0	110.8	D80 R88 R99	D80-D84 VanDerWaalsContact O-CB 3.26Å; D80-D84 WeakPolarHBondContact O-CB 3.12Å; D80-D84 PolarHBondContact O-N 3.17Å; D84-R88 WeakPolarHBondContact O-CB 3.45Å; D84-R88 PolarHBondContact O-N 2.85Å; D84-R99 IonicContact OD1-CZ 3.12Å; D84-R99 IonicContact OD1-NH1 3.89Å; D84-R99 PolarHBondContact OD1-NH1 3.44Å; D84-R99 IonicContact OD1-NH2 3.93Å; D84-R99 PolarHBondContact OD1-NH2 3.26Å
85	R	98	Very high	96.8	Very high	40 Å²	40	40.5 Å²	40.5	15%	0.151	20%	0.199	C	C	.	.	H	α-helix	trans	-71.8	-46.1	180	-165.3	176	-177.7	-173.3	-7.2	112.5	V81 D82 A83 E87 R88 V89 Q230 C233 N234 E237	V81-R85 WeakPolarHBondContact O-CB 3.37Å; V81-R85 PolarHBondContact O-N 3.19Å; D82-R85 PolarHBondContact O-N 2.63Å; A83-R85 VanDerWaalsContact C-N 3.26Å; A83-R85 PolarHBondContact O-N 2.81Å; R85-E87 VanDerWaalsContact C-N 3.34Å; R85-E87 PolarHBondContact O-N 2.76Å; R85-R88 PolarHBondContact O-N 2.77Å; R85-V89 HydrophobicContact CG-CG2 4.41Å; R85-V89 WeakPolarHBondContact O-CG2 3.44Å; R85-V89 PolarHBondContact O-N 2.78Å; R85-Q230 PolarHBondContact NH1-O 3.33Å; R85-C233 HydrophobicContact CG-CB 3.86Å; R85-N234 PolarHBondContact NH1-OD1 3.41Å; R85-N234 PolarHBondContact NH2-OD1 2.62Å; R85-E237 IonicContact CZ-OE2 2.75Å; R85-E237 IonicContact NE-OE2 3.86Å; R85-E237 PolarHBondContact NE-OE2 3.01Å; R85-E237 VanDerWaalsContact NE-OE2 3.12Å; R85-E237 IonicContact NH2-OE2 3.77Å; R85-E237 PolarHBondContact NH2-OE2 3.34Å
86	V	98.5	Very high	96.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-56.5	-50.8	173.6	170.3	0	0	0	0	109.7	L61 D82 A83 R88 V89 F90 V129 I229	L61-V86 HydrophobicContact CD1-CB 4.36Å; L61-V86 HydrophobicContact CD1-CG1 3.95Å; L61-V86 HydrophobicContact CD2-CB 4.1Å; L61-V86 HydrophobicContact CD2-CG1 3.9Å; L61-V86 HydrophobicContact CG-CG1 4.38Å; D82-V86 VanDerWaalsContact O-CG2 3.29Å; D82-V86 WeakPolarHBondContact O-CG2 3.44Å; D82-V86 PolarHBondContact O-N 2.97Å; A83-V86 PolarHBondContact O-N 2.81Å; V86-R88 VanDerWaalsContact C-N 3.32Å; V86-R88 PolarHBondContact O-N 3.16Å; V86-V89 PolarHBondContact O-N 3.09Å; V86-F90 HydrophobicContact CG1-CD2 3.62Å; V86-F90 HydrophobicContact CG1-CE2 3.93Å; V86-F90 WeakPolarHBondContact O-CD2 3.44Å; V86-F90 PolarHBondContact O-N 2.81Å; V86-V129 HydrophobicContact CG1-CB 4.34Å; V86-V129 HydrophobicContact CG1-CG1 4.15Å; V86-V129 HydrophobicContact CG1-CG2 4.05Å; V86-V129 HydrophobicContact CG2-CG1 4.46Å; V86-I229 HydrophobicContact CG2-CG2 3.47Å; V86-I229 VanDerWaalsContact CG2-CG2 3.47Å
87	E	98.7	Very high	96.9	Very high	41 Å²	41	38.2 Å²	38.2	19%	0.192	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-43.4	-179.5	-177.9	174.1	-178	0	0	112.3	L61 A83 R85 K91 V97 R99	L61-E87 HydrophobicContact CD2-CB 3.94Å; A83-E87 VanDerWaalsContact O-CB 3.23Å; A83-E87 WeakPolarHBondContact O-CB 3.24Å; A83-E87 PolarHBondContact O-N 3.07Å; R85-E87 VanDerWaalsContact C-N 3.34Å; R85-E87 PolarHBondContact O-N 2.76Å; E87-K91 HydrophobicContact CG-CD 4.1Å; E87-K91 VanDerWaalsContact O-CB 3.31Å; E87-K91 WeakPolarHBondContact O-CB 3.44Å; E87-K91 WeakPolarHBondContact O-CD 3.32Å; E87-K91 WeakPolarHBondContact O-CG 3.39Å; E87-K91 PolarHBondContact O-N 2.78Å; E87-K91 VanDerWaalsContact O-N 3.13Å; E87-K91 WeakPolarHBondContact OE1-CE 3.34Å; E87-K91 IonicContact OE1-NZ 3.38Å; E87-K91 PolarHBondContact OE1-NZ 2.72Å; E87-V97 HydrophobicContact CB-CG1 4.36Å; E87-V97 HydrophobicContact CG-CG1 4.04Å; E87-R99 WeakPolarHBondContact OE2-CD 3.42Å; E87-R99 IonicContact OE2-CZ 2.73Å; E87-R99 IonicContact OE2-NE 3.2Å; E87-R99 IonicContact OE2-NH1 2.8Å; E87-R99 PolarHBondContact OE2-NH1 2.95Å
88	R	98.2	Very high	97.2	Very high	113 Å²	113	37.1 Å²	37.1	43%	0.426	19%	0.191	S	C	.	.	H	α-helix	trans	-62.1	-51.5	175.8	-174.9	-178.8	61.5	72.7	-2.3	111.9	D84 R85 V86 K91 S92 E237	D84-R88 WeakPolarHBondContact O-CB 3.45Å; D84-R88 PolarHBondContact O-N 2.85Å; R85-R88 PolarHBondContact O-N 2.77Å; V86-R88 VanDerWaalsContact C-N 3.32Å; V86-R88 PolarHBondContact O-N 3.16Å; R88-K91 PolarHBondContact O-N 3.37Å; R88-S92 PolarHBondContact O-N 2.83Å; R88-S92 PolarHBondContact O-OG 2.88Å; R88-E237 IonicContact CZ-OE1 3.7Å; R88-E237 IonicContact CZ-OE2 2.68Å; R88-E237 IonicContact NH1-OE1 3.31Å; R88-E237 PolarHBondContact NH1-OE1 3.39Å; R88-E237 IonicContact NH2-OE1 2.77Å; R88-E237 PolarHBondContact NH2-OE1 2.73Å; R88-E237 IonicContact NH2-OE2 2.75Å; R88-E237 PolarHBondContact NH2-OE2 3.49Å
89	V	98.2	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-43.2	-174.2	173.9	0	0	0	0	112	R85 V86 K91 S92 L93 C233 L236 E237	R85-V89 HydrophobicContact CG-CG2 4.41Å; R85-V89 WeakPolarHBondContact O-CG2 3.44Å; R85-V89 PolarHBondContact O-N 2.78Å; V86-V89 PolarHBondContact O-N 3.09Å; V89-K91 PolarHBondContact O-N 2.91Å; V89-S92 WeakPolarHBondContact O-CB 3.44Å; V89-S92 PolarHBondContact O-N 2.77Å; V89-S92 VanDerWaalsContact O-N 3.15Å; V89-L93 HydrophobicContact CG1-CD1 4.15Å; V89-L93 PolarHBondContact O-N 2.83Å; V89-C233 HydrophobicContact CG2-CB 4.02Å; V89-L236 HydrophobicContact CG1-CB 3.89Å; V89-L236 HydrophobicContact CG1-CD1 4.1Å; V89-E237 HydrophobicContact CB-CG 4.46Å; V89-E237 HydrophobicContact CG1-CG 4.1Å; V89-E237 VanDerWaalsContact CG2-CD 3.42Å; V89-E237 HydrophobicContact CG2-CG 3.51Å; V89-E237 WeakPolarHBondContact CG2-OE2 3.34Å
90	F	97.9	Very high	97.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.3	-30.7	177.6	-76.9	-78.5	0	0	0	112.8	C59 V86 L93 N94 Y95 V97 I127 V129 F171 L236 I291	C59-F90 HydrophobicContact CB-CB 4.45Å; V86-F90 HydrophobicContact CG1-CD2 3.62Å; V86-F90 HydrophobicContact CG1-CE2 3.93Å; V86-F90 WeakPolarHBondContact O-CD2 3.44Å; V86-F90 PolarHBondContact O-N 2.81Å; F90-L93 HydrophobicContact CD1-CD1 4.07Å; F90-L93 HydrophobicContact CE1-CD1 4.2Å; F90-L93 PolarHBondContact O-N 3.28Å; F90-N94 PolarHBondContact O-N 3.47Å; F90-Y95 HydrophobicContact CD1-CD2 4.19Å; F90-Y95 HydrophobicContact CD1-CG 4.39Å; F90-Y95 WeakPolarHBondContact O-CB 3.45Å; F90-Y95 PolarHBondContact O-N 3.34Å; F90-V97 HydrophobicContact CB-CG2 3.6Å; F90-I127 HydrophobicContact CD1-CD1 3.9Å; F90-I127 HydrophobicContact CE1-CD1 3.49Å; F90-I127 VanDerWaalsContact CE1-CD1 3.49Å; F90-I127 HydrophobicContact CE1-CG2 4.15Å; F90-I127 HydrophobicContact CZ-CD1 4.5Å; F90-I127 HydrophobicContact CZ-CG2 4.39Å; F90-V129 HydrophobicContact CE2-CG2 4.46Å; F90-F171 HydrophobicContact CZ-CE2 4.26Å; F90-L236 HydrophobicContact CE2-CD1 4.36Å; F90-L236 HydrophobicContact CZ-CD1 3.99Å; F90-I291 HydrophobicContact CE1-CD1 4.03Å
91	K	97.2	Very high	97.6	Very high	106 Å²	106	43.3 Å²	43.3	46%	0.461	21%	0.214	S	C	.	.	H	α-helix	trans	-64.2	-40.7	167	-76	174.9	-174.8	176.3	0	111.9	E87 R88 V89 L93 N94 V97	E87-K91 HydrophobicContact CG-CD 4.1Å; E87-K91 VanDerWaalsContact O-CB 3.31Å; E87-K91 WeakPolarHBondContact O-CB 3.44Å; E87-K91 WeakPolarHBondContact O-CD 3.32Å; E87-K91 WeakPolarHBondContact O-CG 3.39Å; E87-K91 PolarHBondContact O-N 2.78Å; E87-K91 VanDerWaalsContact O-N 3.13Å; E87-K91 WeakPolarHBondContact OE1-CE 3.34Å; E87-K91 IonicContact OE1-NZ 3.38Å; E87-K91 PolarHBondContact OE1-NZ 2.72Å; R88-K91 PolarHBondContact O-N 3.37Å; V89-K91 PolarHBondContact O-N 2.91Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-L93 PolarHBondContact O-N 3.45Å; K91-N94 WeakPolarHBondContact O-CA 3.26Å; K91-N94 PolarHBondContact O-N 2.79Å; K91-V97 HydrophobicContact CG-CB 4.17Å; K91-V97 HydrophobicContact CG-CG2 3.8Å
92	S	95.5	Very high	97.7	Very high	72 Å²	72	42.4 Å²	42.4	50%	0.503	21%	0.207	S	C	.	.	H	α-helix	trans	-65.7	-32.8	174.9	-62.4	0	0	0	0	113	R88 V89 N94 M240	R88-S92 PolarHBondContact O-N 2.83Å; R88-S92 PolarHBondContact O-OG 2.88Å; V89-S92 WeakPolarHBondContact O-CB 3.44Å; V89-S92 PolarHBondContact O-N 2.77Å; V89-S92 VanDerWaalsContact O-N 3.15Å; S92-N94 PolarHBondContact O-N 2.85Å; S92-M240 VanDerWaalsContact O-CE 3.27Å; S92-M240 WeakPolarHBondContact O-CE 3.27Å
93	L	94.8	Very high	97.7	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	5.8	169.6	-71.4	164.7	0	0	0	113.8	V89 F90 K91 Y95 L236 M240 I291 N292	V89-L93 HydrophobicContact CG1-CD1 4.15Å; V89-L93 PolarHBondContact O-N 2.83Å; F90-L93 HydrophobicContact CD1-CD1 4.07Å; F90-L93 HydrophobicContact CE1-CD1 4.2Å; F90-L93 PolarHBondContact O-N 3.28Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-L93 PolarHBondContact O-N 3.45Å; L93-Y95 HydrophobicContact CB-CD2 3.69Å; L93-Y95 HydrophobicContact CB-CE2 3.83Å; L93-Y95 WeakPolarHBondContact O-CD2 3.46Å; L93-L236 HydrophobicContact CD1-CB 4.43Å; L93-L236 HydrophobicContact CD1-CD1 4.22Å; L93-L236 HydrophobicContact CD1-CD2 4.15Å; L93-M240 HydrophobicContact CD2-CE 4.16Å; L93-M240 HydrophobicContact CD2-CG 3.76Å; L93-M240 HydrophobicContact CD2-SD 3.48Å; L93-M240 WeakPolarHBondContact CD2-SD 3.39Å; L93-M240 HydrophobicContact CG-CE 4.36Å; L93-M240 HydrophobicContact CG-SD 3.68Å; L93-I291 HydrophobicContact CD1-CG1 4.45Å; L93-N292 HydrophobicContact CD2-CB 4.29Å
94	N	94.6	Very high	97.7	Very high	51 Å²	51	44.4 Å²	44.4	27%	0.273	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	42.3	-177.3	-162.8	35.8	0	0	0	115.3	F54 Y55 R56 F90 K91 S92	F54-N94 WeakPolarHBondContact CE2-ND2 3.47Å; F54-N94 PolarHBondContact O-ND2 3.32Å; F54-N94 PolarHBondContact O-OD1 3.46Å; Y55-N94 WeakPolarHBondContact CA-O 3.3Å; R56-N94 HydrophobicContact CG-CB 4.31Å; R56-N94 PolarHBondContact N-O 3.44Å; F90-N94 PolarHBondContact O-N 3.47Å; K91-N94 WeakPolarHBondContact O-CA 3.26Å; K91-N94 PolarHBondContact O-N 2.79Å; S92-N94 PolarHBondContact O-N 2.85Å
95	Y	96.8	Very high	97.7	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	21%	0.214	C	C	.	.			trans	-93.6	147.9	167.7	-71.3	-102.8	0	0	0	111.8	R56 G57 C59 F90 L93 V97 S125 I127 I291	R56-Y95 HydrophobicContact CB-CE2 4.28Å; G57-Y95 WeakPolarHBondContact O-CA 3.25Å; G57-Y95 WeakPolarHBondContact O-CD1 2.89Å; C59-Y95 HydrophobicContact CB-CD1 4.39Å; C59-Y95 HydrophobicContact CB-CG 4.45Å; F90-Y95 HydrophobicContact CD1-CD2 4.19Å; F90-Y95 HydrophobicContact CD1-CG 4.39Å; F90-Y95 WeakPolarHBondContact O-CB 3.45Å; F90-Y95 PolarHBondContact O-N 3.34Å; L93-Y95 HydrophobicContact CB-CD2 3.69Å; L93-Y95 HydrophobicContact CB-CE2 3.83Å; L93-Y95 WeakPolarHBondContact O-CD2 3.46Å; Y95-V97 PolarHBondContact O-N 2.99Å; Y95-V97 VanDerWaalsContact O-N 3.1Å; Y95-S125 WeakPolarHBondContact CE1-OG 3.44Å; Y95-S125 PolarHBondContact OH-OG 2.84Å; Y95-S125 VanDerWaalsContact OH-OG 3.08Å; Y95-I127 HydrophobicContact CD1-CD1 3.88Å; Y95-I127 HydrophobicContact CD1-CG1 4.16Å; Y95-I127 HydrophobicContact CE1-CD1 3.39Å; Y95-I127 HydrophobicContact CE1-CG1 3.76Å; Y95-I127 HydrophobicContact CE2-CD1 4.3Å; Y95-I291 HydrophobicContact CE2-CG1 4.49Å
96	K	96.9	Very high	97.7	Very high	74 Å²	74	46.1 Å²	46.1	32%	0.322	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	91.3	166.7	179	-160.1	169.8	-150.2	0	107.7	Y55 G57 E58 C59	Y55-K96 HydrophobicContact CD1-CB 4.08Å; Y55-K96 HydrophobicContact CD2-CB 3.85Å; Y55-K96 HydrophobicContact CD2-CG 4.42Å; Y55-K96 HydrophobicContact CE1-CB 4.36Å; Y55-K96 HydrophobicContact CE2-CB 4.16Å; Y55-K96 HydrophobicContact CE2-CG 4.38Å; Y55-K96 HydrophobicContact CG-CB 3.8Å; G57-K96 PolarHBondContact O-N 3.17Å; E58-K96 VanDerWaalsContact OE1-CE 3.24Å; E58-K96 WeakPolarHBondContact OE1-CE 3.44Å; E58-K96 IonicContact OE1-NZ 2.95Å; E58-K96 PolarHBondContact OE1-NZ 3.01Å; E58-K96 IonicContact OE2-NZ 3.66Å; E58-K96 PolarHBondContact OE2-NZ 2.97Å; C59-K96 PolarHBondContact N-O 2.82Å
97	V	98.5	Very high	97.7	Very high	21 Å²	21	49.4 Å²	49.4	13%	0.127	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123	179	-174.3	0	0	0	0	111.1	C59 L61 E87 F90 K91 Y95	C59-V97 HydrophobicContact CB-CG2 4.05Å; C59-V97 CarbonylContact O-C 3.4Å; C59-V97 VanDerWaalsContact O-CA 3.31Å; C59-V97 WeakPolarHBondContact O-CA 3.48Å; L61-V97 HydrophobicContact CB-CG1 4.3Å; E87-V97 HydrophobicContact CB-CG1 4.36Å; E87-V97 HydrophobicContact CG-CG1 4.04Å; F90-V97 HydrophobicContact CB-CG2 3.6Å; K91-V97 HydrophobicContact CG-CB 4.17Å; K91-V97 HydrophobicContact CG-CG2 3.8Å; Y95-V97 PolarHBondContact O-N 2.99Å; Y95-V97 VanDerWaalsContact O-N 3.1Å
98	T	98.4	Very high	97.7	Very high	51 Å²	51	47.5 Å²	47.5	31%	0.313	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	107.2	173	-59.8	0	0	0	0	108.3	E58 C59 L61	E58-T98 PolarHBondContact OE1-OG1 2.89Å; E58-T98 VanDerWaalsContact OE1-OG1 3.1Å; C59-T98 PolarHBondContact O-N 2.97Å; L61-T98 PolarHBondContact N-O 2.63Å
99	R	98.6	Very high	97.7	Very high	74 Å²	74	45.5 Å²	45.5	28%	0.279	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.3	-178.7	179	174	175	179.3	0.6	111.4	L61 D80 D84 E87	L61-R99 HydrophobicContact CB-CB 4.42Å; L61-R99 HydrophobicContact CD2-CB 4.3Å; L61-R99 HydrophobicContact CD2-CG 4.07Å; L61-R99 HydrophobicContact CG-CB 4.43Å; L61-R99 HydrophobicContact CG-CG 4.15Å; L61-R99 CarbonylContact O-C 3.58Å; L61-R99 WeakPolarHBondContact O-CA 3.22Å; D80-R99 IonicContact OD1-NH2 2.96Å; D84-R99 IonicContact OD1-CZ 3.12Å; D84-R99 IonicContact OD1-NH1 3.89Å; D84-R99 PolarHBondContact OD1-NH1 3.44Å; D84-R99 IonicContact OD1-NH2 3.93Å; D84-R99 PolarHBondContact OD1-NH2 3.26Å; E87-R99 WeakPolarHBondContact OE2-CD 3.42Å; E87-R99 IonicContact OE2-CZ 2.73Å; E87-R99 IonicContact OE2-NE 3.2Å; E87-R99 IonicContact OE2-NH1 2.8Å; E87-R99 PolarHBondContact OE2-NH1 2.95Å
100	I	98.7	Very high	97.8	Very high	36 Å²	36	49.7 Å²	49.7	19%	0.185	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.8	177.2	-51.7	176.6	0	0	0	108.9	L61 I62 N63 I103 T111	L61-I100 PolarHBondContact O-N 3.22Å; I62-I100 HydrophobicContact CD1-CB 3.93Å; I62-I100 HydrophobicContact CD1-CD1 4.01Å; I62-I100 HydrophobicContact CD1-CG1 4.27Å; N63-I100 PolarHBondContact N-O 2.94Å; I100-I103 HydrophobicContact CB-CD1 4.47Å; I100-I103 HydrophobicContact CD1-CD1 3.88Å; I100-I103 HydrophobicContact CG2-CB 3.96Å; I100-I103 HydrophobicContact CG2-CD1 3.99Å; I100-I103 HydrophobicContact CG2-CG1 3.98Å; I100-T111 HydrophobicContact CD1-CG2 3.88Å
101	L	98.6	Very high	97.8	Very high	79 Å²	79	50.7 Å²	50.7	41%	0.414	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.8	178.6	176.2	71.5	0	0	0	109.6	N63 R65 I103	N63-L101 WeakPolarHBondContact ND2-CD1 3.43Å; N63-L101 WeakPolarHBondContact O-CA 3.28Å; R65-L101 HydrophobicContact CB-CD1 4.09Å; L101-I103 PolarHBondContact O-N 3.26Å
102	N	98.5	Very high	97.8	Very high	35 Å²	35	45.7 Å²	45.7	19%	0.187	24%	0.244	C	C	.	.	S	Bend	trans	53.5	47	173	-56.1	-21.1	0	0	0	114.3	N63 Q64 R65 D66 N142	N63-N102 PolarHBondContact O-N 3.08Å; Q64-N102 VanDerWaalsContact OE1-CA 3.3Å; R65-N102 WeakPolarHBondContact CA-OD1 3.4Å; R65-N102 PolarHBondContact N-OD1 3.02Å; D66-N102 WeakPolarHBondContact CB-ND2 3.32Å; D66-N102 PolarHBondContact N-OD1 2.86Å; D66-N102 PolarHBondContact O-OD1 3.29Å; D66-N102 PolarHBondContact OD2-ND2 3.39Å; N102-N142 WeakPolarHBondContact O-CB 3.47Å
103	I	98.6	Very high	98	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.236	C	C	.	.			trans	-62.9	138.1	-178.1	-154.9	169.6	0	0	0	111.6	I62 Q64 I100 L101 V107 L108 N142	I62-I103 HydrophobicContact CD1-CD1 3.77Å; I62-I103 HydrophobicContact CD1-CG2 4.44Å; I62-I103 HydrophobicContact CG2-CB 4.29Å; I62-I103 HydrophobicContact CG2-CG2 3.45Å; I62-I103 VanDerWaalsContact CG2-CG2 3.45Å; Q64-I103 PolarHBondContact NE2-O 3.48Å; I100-I103 HydrophobicContact CB-CD1 4.47Å; I100-I103 HydrophobicContact CD1-CD1 3.88Å; I100-I103 HydrophobicContact CG2-CB 3.96Å; I100-I103 HydrophobicContact CG2-CD1 3.99Å; I100-I103 HydrophobicContact CG2-CG1 3.98Å; L101-I103 PolarHBondContact O-N 3.26Å; I103-V107 HydrophobicContact CD1-CB 4.44Å; I103-V107 HydrophobicContact CD1-CG1 4.01Å; I103-V107 HydrophobicContact CG1-CB 3.82Å; I103-V107 HydrophobicContact CG1-CG1 3.72Å; I103-L108 HydrophobicContact CD1-CB 3.94Å; I103-L108 HydrophobicContact CD1-CD1 4.15Å; I103-L108 HydrophobicContact CG1-CB 4.14Å; I103-L108 HydrophobicContact CG2-CB 4.18Å; I103-L108 HydrophobicContact CG2-CD1 4.43Å; I103-N142 WeakPolarHBondContact O-CB 3.29Å; I103-N142 PolarHBondContact O-N 3.13Å
104	T	98.6	Very high	98.1	Very high	37 Å²	37	50.3 Å²	50.3	23%	0.227	26%	0.259	C	S	.	.			trans	-86.5	166	170.6	64.1	0	0	0	0	111.3	S106 V107 L108 N142 D143	T104-S106 VanDerWaalsContact C-N 3.3Å; T104-S106 PolarHBondContact O-N 3.17Å; T104-S106 PolarHBondContact OG1-OG 3.39Å; T104-S106 VanDerWaalsContact OG1-OG 3.12Å; T104-V107 PolarHBondContact O-N 3.29Å; T104-V107 WeakPolarHBondContact OG1-CG2 3.39Å; T104-V107 PolarHBondContact OG1-N 3.14Å; T104-L108 WeakPolarHBondContact O-CB 3.34Å; T104-L108 PolarHBondContact O-N 3.22Å; T104-N142 HydrophobicContact CG2-CB 4.35Å; T104-D143 WeakPolarHBondContact CA-OD1 3.43Å; T104-D143 VanDerWaalsContact CB-OD1 3.28Å; T104-D143 WeakPolarHBondContact CB-OD1 3.41Å
105	K	98.5	Very high	98.3	Very high	83 Å²	83	48.1 Å²	48.1	36%	0.361	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-38.2	176.6	-69	-178.7	-72.3	-173.5	0	112.8	H109 A141 D143 V146	K105-H109 WeakPolarHBondContact O-CB 3.27Å; K105-H109 PolarHBondContact O-N 2.81Å; K105-A141 HydrophobicContact CG-CB 3.67Å; K105-D143 WeakPolarHBondContact CE-OD2 3.45Å; K105-D143 PolarHBondContact N-OD1 2.73Å; K105-D143 PolarHBondContact NZ-O 3.08Å; K105-D143 IonicContact NZ-OD2 2.8Å; K105-V146 HydrophobicContact CD-CG1 4.05Å; K105-V146 HydrophobicContact CG-CG1 3.78Å
106	S	98.3	Very high	98.2	Very high	82 Å²	82	48.2 Å²	48.2	57%	0.573	25%	0.25	S	C	*	.	H	α-helix	trans	-69.5	-45.1	177.9	51.6	0	0	0	0	112.4	T104 H109 Q110	T104-S106 VanDerWaalsContact C-N 3.3Å; T104-S106 PolarHBondContact O-N 3.17Å; T104-S106 PolarHBondContact OG1-OG 3.39Å; T104-S106 VanDerWaalsContact OG1-OG 3.12Å; S106-H109 PolarHBondContact O-N 3.12Å; S106-Q110 PolarHBondContact O-N 3.47Å
107	V	98.5	Very high	98.2	Very high	70 Å²	70	51 Å²	51	42%	0.424	26%	0.264	S	S	.	.	H	α-helix	trans	-68.6	-37.5	176.1	-179.2	0	0	0	0	110.5	I103 T104 Q110 T111	I103-V107 HydrophobicContact CD1-CB 4.44Å; I103-V107 HydrophobicContact CD1-CG1 4.01Å; I103-V107 HydrophobicContact CG1-CB 3.82Å; I103-V107 HydrophobicContact CG1-CG1 3.72Å; T104-V107 PolarHBondContact O-N 3.29Å; T104-V107 WeakPolarHBondContact OG1-CG2 3.39Å; T104-V107 PolarHBondContact OG1-N 3.14Å; V107-Q110 PolarHBondContact O-N 2.96Å; V107-T111 WeakPolarHBondContact O-CB 3.34Å; V107-T111 PolarHBondContact O-N 3.31Å; V107-T111 PolarHBondContact O-OG1 3.43Å; V107-T111 VanDerWaalsContact O-OG1 3.08Å
108	L	98.6	Very high	98.1	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-46.2	174.4	179.1	61.9	0	0	0	111.5	I103 T104 Q110 T111 L112 F128 V146 I151	I103-L108 HydrophobicContact CD1-CB 3.94Å; I103-L108 HydrophobicContact CD1-CD1 4.15Å; I103-L108 HydrophobicContact CG1-CB 4.14Å; I103-L108 HydrophobicContact CG2-CB 4.18Å; I103-L108 HydrophobicContact CG2-CD1 4.43Å; T104-L108 WeakPolarHBondContact O-CB 3.34Å; T104-L108 PolarHBondContact O-N 3.22Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 2.67Å; L108-T111 PolarHBondContact O-N 2.94Å; L108-L112 HydrophobicContact CD1-CD1 3.8Å; L108-L112 HydrophobicContact CD1-CG 4.01Å; L108-L112 HydrophobicContact CG-CD1 3.81Å; L108-L112 HydrophobicContact CG-CG 4.42Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 WeakPolarHBondContact O-CD1 3.46Å; L108-L112 WeakPolarHBondContact O-CG 3.36Å; L108-L112 PolarHBondContact O-N 2.94Å; L108-F128 HydrophobicContact CD1-CE2 4.48Å; L108-F128 HydrophobicContact CD1-CZ 4.3Å; L108-V146 HydrophobicContact CD2-CG1 4.4Å; L108-V146 HydrophobicContact CD2-CG2 3.93Å; L108-I151 HydrophobicContact CD2-CD1 4.4Å
109	H	98.4	Very high	98	Very high	72 Å²	72	54.5 Å²	54.5	33%	0.333	28%	0.284	S	S	.	.	H	α-helix	trans	-55.8	-48.9	173.1	178.8	86.2	0	0	0	111.5	K105 S106 L112 L113 Y150 F154	K105-H109 WeakPolarHBondContact O-CB 3.27Å; K105-H109 PolarHBondContact O-N 2.81Å; S106-H109 PolarHBondContact O-N 3.12Å; H109-L112 PolarHBondContact O-N 3.13Å; H109-L113 WeakPolarHBondContact O-CB 3.42Å; H109-L113 PolarHBondContact O-N 3.16Å; H109-Y150 PolarHBondContact ND1-OH 3.46Å; H109-F154 AromaticContact CE1-CZ 3.89Å; H109-F154 AromaticContact ND1-CZ 3.68Å
110	Q	98.5	Very high	97.8	Very high	88 Å²	88	51 Å²	51	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-45.2	-178.5	-173.3	60.9	26.2	0	0	112.2	S106 V107 L108 L112 L113 E114	S106-Q110 PolarHBondContact O-N 3.47Å; V107-Q110 PolarHBondContact O-N 2.96Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 2.67Å; Q110-L112 VanDerWaalsContact C-N 3.35Å; Q110-L112 PolarHBondContact O-N 3.01Å; Q110-L113 PolarHBondContact O-N 3.14Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.5Å; Q110-E114 PolarHBondContact NE2-OE1 2.77Å; Q110-E114 WeakPolarHBondContact O-CB 3.14Å; Q110-E114 WeakPolarHBondContact O-CG 3.22Å; Q110-E114 PolarHBondContact O-N 3.22Å
111	T	98.6	Very high	97.5	Very high	21 Å²	21	52.3 Å²	52.3	13%	0.129	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-40.3	175.6	-63.8	0	0	0	0	112.2	I60 I100 V107 L108 A115	I60-T111 HydrophobicContact CD1-CG2 4.07Å; I60-T111 HydrophobicContact CG2-CG2 4.3Å; I100-T111 HydrophobicContact CD1-CG2 3.88Å; V107-T111 WeakPolarHBondContact O-CB 3.34Å; V107-T111 PolarHBondContact O-N 3.31Å; V107-T111 PolarHBondContact O-OG1 3.43Å; V107-T111 VanDerWaalsContact O-OG1 3.08Å; L108-T111 PolarHBondContact O-N 2.94Å; T111-A115 WeakPolarHBondContact O-CB 3.37Å; T111-A115 PolarHBondContact O-N 3.17Å
112	L	98.2	Very high	97.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.9	-36	177.3	-68	168.4	0	0	0	112.3	L108 H109 Q110 S116 F128 I151 F154 F155	L108-L112 HydrophobicContact CD1-CD1 3.8Å; L108-L112 HydrophobicContact CD1-CG 4.01Å; L108-L112 HydrophobicContact CG-CD1 3.81Å; L108-L112 HydrophobicContact CG-CG 4.42Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 WeakPolarHBondContact O-CD1 3.46Å; L108-L112 WeakPolarHBondContact O-CG 3.36Å; L108-L112 PolarHBondContact O-N 2.94Å; H109-L112 PolarHBondContact O-N 3.13Å; Q110-L112 VanDerWaalsContact C-N 3.35Å; Q110-L112 PolarHBondContact O-N 3.01Å; L112-S116 WeakPolarHBondContact O-CB 3.31Å; L112-S116 PolarHBondContact O-N 3.47Å; L112-S116 PolarHBondContact O-OG 2.88Å; L112-F128 HydrophobicContact CD2-CD2 4.27Å; L112-F128 HydrophobicContact CD2-CE2 3.9Å; L112-I151 HydrophobicContact CD1-CB 4.37Å; L112-I151 HydrophobicContact CD1-CG1 4.25Å; L112-I151 HydrophobicContact CD1-CG2 4.17Å; L112-I151 HydrophobicContact CD2-CG2 3.78Å; L112-F154 HydrophobicContact CB-CB 4.29Å; L112-F154 HydrophobicContact CB-CD1 3.8Å; L112-F154 HydrophobicContact CB-CD2 3.87Å; L112-F154 HydrophobicContact CB-CE1 4.05Å; L112-F154 HydrophobicContact CB-CE2 4.13Å; L112-F154 HydrophobicContact CB-CG 3.72Å; L112-F154 HydrophobicContact CB-CZ 4.21Å; L112-F154 HydrophobicContact CD1-CD2 4.05Å; L112-F154 HydrophobicContact CD1-CE2 4.09Å; L112-F154 HydrophobicContact CG-CD2 4.49Å; L112-F154 WeakPolarHBondContact O-CD1 3.21Å; L112-F155 HydrophobicContact CD2-CE2 3.65Å; L112-F155 HydrophobicContact CD2-CZ 3.98Å
113	L	98	Very high	97	Very high	63 Å²	63	52 Å²	52	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-67.3	-50.1	174.5	-178.6	61.2	0	0	0	111.4	H109 Q110 A115 S116 Q117 F154	H109-L113 WeakPolarHBondContact O-CB 3.42Å; H109-L113 PolarHBondContact O-N 3.16Å; Q110-L113 PolarHBondContact O-N 3.14Å; L113-A115 VanDerWaalsContact C-N 3.3Å; L113-A115 PolarHBondContact O-N 2.55Å; L113-S116 PolarHBondContact O-N 3.21Å; L113-S116 PolarHBondContact O-OG 2.97Å; L113-Q117 HydrophobicContact CD1-CG 4.24Å; L113-Q117 WeakPolarHBondContact O-CG 3.43Å; L113-Q117 PolarHBondContact O-N 3.1Å; L113-F154 HydrophobicContact CB-CE1 4.15Å
114	E	98	Very high	96.8	Very high	112 Å²	112	52 Å²	52	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-58.6	-43.1	176.4	-73.9	169.3	-175.8	0	0	111.6	Q110 Q117 A118	Q110-E114 WeakPolarHBondContact CG-OE1 3.5Å; Q110-E114 PolarHBondContact NE2-OE1 2.77Å; Q110-E114 WeakPolarHBondContact O-CB 3.14Å; Q110-E114 WeakPolarHBondContact O-CG 3.22Å; Q110-E114 PolarHBondContact O-N 3.22Å; E114-Q117 PolarHBondContact O-N 3.34Å; E114-A118 PolarHBondContact O-N 2.85Å; E114-A118 VanDerWaalsContact O-N 3.15Å
115	A	97.9	Very high	96.7	Very high	6 Å²	6	50.2 Å²	50.2	5%	0.05	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-35.3	176.4	0	0	0	0	0	113.1	I60 T111 L113 H120 F155	I60-A115 HydrophobicContact CD1-CB 3.63Å; T111-A115 WeakPolarHBondContact O-CB 3.37Å; T111-A115 PolarHBondContact O-N 3.17Å; L113-A115 VanDerWaalsContact C-N 3.3Å; L113-A115 PolarHBondContact O-N 2.55Å; A115-H120 PolarHBondContact O-NE2 2.92Å; A115-F155 HydrophobicContact CB-CE1 3.8Å; A115-F155 HydrophobicContact CB-CZ 3.85Å
116	S	95.9	Very high	96.7	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.028	26%	0.258	C	S	.	.	H	α-helix	trans	-73	-28.5	177.3	73.2	0	0	0	0	113.2	L112 L113 F154 C160	L112-S116 WeakPolarHBondContact O-CB 3.31Å; L112-S116 PolarHBondContact O-N 3.47Å; L112-S116 PolarHBondContact O-OG 2.88Å; L113-S116 PolarHBondContact O-N 3.21Å; L113-S116 PolarHBondContact O-OG 2.97Å; S116-F154 WeakPolarHBondContact CB-O 3.17Å; S116-C160 PolarHBondContact O-SG 3.28Å
117	Q	96.7	Very high	96.7	Very high	133 Å²	133	42.4 Å²	42.4	62%	0.621	23%	0.23	S	C	*	.	H	α-helix	trans	-90.8	-2.9	178.5	-57.2	-46.7	-77.8	0	0	113.8	L113 E114 R159	L113-Q117 HydrophobicContact CD1-CG 4.24Å; L113-Q117 WeakPolarHBondContact O-CG 3.43Å; L113-Q117 PolarHBondContact O-N 3.1Å; E114-Q117 PolarHBondContact O-N 3.34Å; Q117-R159 PolarHBondContact NE2-O 2.96Å
118	A	96.3	Very high	96.7	Very high	35 Å²	35	39 Å²	39	29%	0.289	21%	0.21	S	C	.	.	S	Bend	trans	-73.3	150.6	174.1	0	0	0	0	0	112.4	E114 H120 S162	E114-A118 PolarHBondContact O-N 2.85Å; E114-A118 VanDerWaalsContact O-N 3.15Å; A118-H120 PolarHBondContact O-CD2 2.89Å; A118-H120 VanDerWaalsContact O-CD2 3.24Å; A118-H120 PolarHBondContact O-N 2.83Å; A118-S162 PolarHBondContact O-OG 3.34Å
119	D	95.3	Very high	96.7	Very high	109 Å²	109	39 Å²	39	58%	0.583	21%	0.21	S	C	*	.			trans	-82.2	96.9	174.9	-178.7	29.4	0	0	0	112.1	S121	D119-S121 VanDerWaalsContact C-N 3.27Å; D119-S121 PolarHBondContact O-N 2.93Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 3.08Å; D119-S121 PolarHBondContact OD1-OG 3.08Å
120	H	95.1	Very high	96.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.194	C	C	.	.			trans	-84.1	9	172.5	-57.6	-80.2	0	0	0	113.4	A115 A118 S122 Y123 F126 S162 L163 K166	A115-H120 PolarHBondContact O-NE2 2.92Å; A118-H120 PolarHBondContact O-CD2 2.89Å; A118-H120 VanDerWaalsContact O-CD2 3.24Å; A118-H120 PolarHBondContact O-N 2.83Å; H120-S122 PolarHBondContact O-N 2.85Å; H120-S122 VanDerWaalsContact O-N 3.1Å; H120-Y123 HydrophobicContact CB-CD2 4.12Å; H120-Y123 AromaticContact ND1-CD2 3.45Å; H120-Y123 WeakPolarHBondContact ND1-CD2 3.24Å; H120-Y123 AromaticContact ND1-CE2 3.74Å; H120-Y123 PolarHBondContact O-N 3.05Å; H120-F126 AromaticContact CE1-CD2 3.98Å; H120-S162 PolarHBondContact N-OG 3.44Å; H120-L163 HydrophobicContact CB-CD2 3.42Å; H120-L163 VanDerWaalsContact CB-CD2 3.42Å; H120-L163 HydrophobicContact CB-CG 3.84Å; H120-K166 PolarHBondContact O-NZ 3.5Å
121	S	92.8	Very high	96.7	Very high	63 Å²	63	31.4 Å²	31.4	44%	0.441	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.6	-173.1	-62.8	0	0	0	0	113.2	V46 D119 K166	V46-S121 WeakPolarHBondContact CG1-O 3.49Å; D119-S121 VanDerWaalsContact C-N 3.27Å; D119-S121 PolarHBondContact O-N 2.93Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 3.08Å; D119-S121 PolarHBondContact OD1-OG 3.08Å; S121-K166 VanDerWaalsContact C-NZ 3.29Å; S121-K166 PolarHBondContact O-NZ 3.07Å
122	S	92.3	Very high	96.7	Very high	71 Å²	71	30.6 Å²	30.6	50%	0.497	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.4	177.8	65.8	0	0	0	0	116	H120	H120-S122 PolarHBondContact O-N 2.85Å; H120-S122 VanDerWaalsContact O-N 3.1Å
123	Y	94.7	Very high	96.6	Very high	36 Å²	36	32.2 Å²	32.2	14%	0.141	18%	0.177	C	C	.	.			trans	-96.5	156.2	-177.8	-63.6	-20.5	0	0	0	112.9	V46 Y55 E58 H120 K166	V46-Y123 WeakPolarHBondContact CB-O 3.3Å; V46-Y123 WeakPolarHBondContact CG2-O 3.24Å; Y55-Y123 WeakPolarHBondContact O-CD1 3.05Å; E58-Y123 HydrophobicContact CB-CE2 4.2Å; H120-Y123 HydrophobicContact CB-CD2 4.12Å; H120-Y123 AromaticContact ND1-CD2 3.45Å; H120-Y123 WeakPolarHBondContact ND1-CD2 3.24Å; H120-Y123 AromaticContact ND1-CE2 3.74Å; H120-Y123 PolarHBondContact O-N 3.05Å; Y123-K166 WeakPolarHBondContact O-CD 3.27Å; Y123-K166 WeakPolarHBondContact O-CE 3.21Å; Y123-K166 PolarHBondContact O-NZ 3.02Å
124	D	94.4	Very high	96.2	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.027	17%	0.168	C	C	.	.	S	Bend	trans	-74.7	-40.8	171.9	-58.7	-12.9	0	0	0	111.2	V46 S47 R56	V46-D124 PolarHBondContact N-OD1 3.02Å; S47-D124 WeakPolarHBondContact CB-OD1 3.05Å; S47-D124 PolarHBondContact N-OD1 3.16Å; S47-D124 VanDerWaalsContact OG-CG 3.23Å; S47-D124 PolarHBondContact OG-OD1 2.95Å; S47-D124 PolarHBondContact OG-OD2 2.86Å; S47-D124 VanDerWaalsContact OG-OD2 3.09Å; R56-D124 IonicContact CZ-OD2 2.7Å; R56-D124 IonicContact NE-OD2 3.18Å; R56-D124 PolarHBondContact NE-OD2 2.86Å; R56-D124 IonicContact NH2-OD2 2.59Å; R56-D124 PolarHBondContact NH2-OD2 3.28Å; R56-D124 WeakPolarHBondContact O-CB 2.98Å; R56-D124 PolarHBondContact O-N 2.81Å
125	S	96.2	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	171.7	-168.9	69.9	0	0	0	0	112.5	R56 G57 Y95 P167	R56-S125 PolarHBondContact O-N 3.35Å; G57-S125 WeakPolarHBondContact CA-O 3.38Å; Y95-S125 WeakPolarHBondContact CE1-OG 3.44Å; Y95-S125 PolarHBondContact OH-OG 2.84Å; Y95-S125 VanDerWaalsContact OH-OG 3.08Å; S125-P167 WeakPolarHBondContact CA-O 3.4Å; S125-P167 VanDerWaalsContact CB-O 3.26Å; S125-P167 WeakPolarHBondContact CB-O 3.47Å
126	F	97.6	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.9	168.5	173	-96.8	0	0	0	110.7	E58 I60 H120 F128 F155 L163 P167 K168 L169 F170	E58-F126 HydrophobicContact CB-CD2 4.24Å; E58-F126 HydrophobicContact CB-CE2 4.39Å; E58-F126 HydrophobicContact CG-CE2 4.34Å; I60-F126 HydrophobicContact CD1-CE2 4.06Å; I60-F126 HydrophobicContact CD1-CZ 3.99Å; I60-F126 HydrophobicContact CG1-CE2 4.24Å; I60-F126 HydrophobicContact CG1-CZ 4.29Å; H120-F126 AromaticContact CE1-CD2 3.98Å; F126-F128 HydrophobicContact CE1-CB 3.95Å; F126-F128 HydrophobicContact CZ-CB 4.31Å; F126-F155 AromaticContact CD1-CD1 3.9Å; F126-F155 HydrophobicContact CD1-CD1 3.9Å; F126-F155 HydrophobicContact CD1-CD2 4.41Å; F126-F155 HydrophobicContact CD1-CE1 4.1Å; F126-F155 HydrophobicContact CD1-CG 4.06Å; F126-F155 HydrophobicContact CD1-CZ 4.44Å; F126-F155 HydrophobicContact CD2-CE1 4.3Å; F126-F155 AromaticContact CE1-CD1 3.75Å; F126-F155 HydrophobicContact CE1-CD1 3.75Å; F126-F155 AromaticContact CE1-CD2 3.82Å; F126-F155 HydrophobicContact CE1-CD2 3.82Å; F126-F155 AromaticContact CE1-CE1 3.57Å; F126-F155 HydrophobicContact CE1-CE1 3.57Å; F126-F155 AromaticContact CE1-CE2 3.62Å; F126-F155 HydrophobicContact CE1-CE2 3.62Å; F126-F155 AromaticContact CE1-CG 3.87Å; F126-F155 HydrophobicContact CE1-CG 3.87Å; F126-F155 AromaticContact CE1-CZ 3.5Å; F126-F155 HydrophobicContact CE1-CZ 3.5Å; F126-F155 HydrophobicContact CE2-CD1 4.45Å; F126-F155 AromaticContact CE2-CE1 3.8Å; F126-F155 HydrophobicContact CE2-CE1 3.8Å; F126-F155 HydrophobicContact CE2-CZ 4.08Å; F126-F155 HydrophobicContact CG-CD1 4.32Å; F126-F155 HydrophobicContact CG-CE1 4.45Å; F126-F155 HydrophobicContact CZ-CD1 4.06Å; F126-F155 HydrophobicContact CZ-CD2 4.46Å; F126-F155 AromaticContact CZ-CE1 3.4Å; F126-F155 HydrophobicContact CZ-CE1 3.4Å; F126-F155 VanDerWaalsContact CZ-CE1 3.4Å; F126-F155 AromaticContact CZ-CE2 3.85Å; F126-F155 HydrophobicContact CZ-CE2 3.85Å; F126-F155 AromaticContact CZ-CZ 3.28Å; F126-F155 HydrophobicContact CZ-CZ 3.28Å; F126-L163 HydrophobicContact CB-CD1 3.54Å; F126-L163 HydrophobicContact CB-CD2 3.82Å; F126-L163 HydrophobicContact CB-CG 4.36Å; F126-L163 HydrophobicContact CD1-CD1 4.48Å; F126-L163 HydrophobicContact CG-CD1 3.95Å; F126-P167 PolarHBondContact N-O 2.85Å; F126-P167 VanDerWaalsContact N-O 3.16Å; F126-K168 WeakPolarHBondContact O-CA 3.41Å; F126-L169 PolarHBondContact O-N 2.97Å; F126-F170 HydrophobicContact CE1-CE1 4.46Å
127	I	98.4	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.7	-178	-54.9	-166.8	0	0	0	111.2	E58 C59 I60 F90 Y95 V129 L169 F171 I291	E58-I127 PolarHBondContact O-N 3.23Å; C59-I127 CarbonylContact C-O 3.6Å; C59-I127 VanDerWaalsContact CA-O 3.29Å; C59-I127 WeakPolarHBondContact CA-O 3.45Å; C59-I127 HydrophobicContact CB-CB 4.13Å; C59-I127 HydrophobicContact CB-CG2 4.44Å; I60-I127 PolarHBondContact N-O 3.01Å; F90-I127 HydrophobicContact CD1-CD1 3.9Å; F90-I127 HydrophobicContact CE1-CD1 3.49Å; F90-I127 VanDerWaalsContact CE1-CD1 3.49Å; F90-I127 HydrophobicContact CE1-CG2 4.15Å; F90-I127 HydrophobicContact CZ-CD1 4.5Å; F90-I127 HydrophobicContact CZ-CG2 4.39Å; Y95-I127 HydrophobicContact CD1-CD1 3.88Å; Y95-I127 HydrophobicContact CD1-CG1 4.16Å; Y95-I127 HydrophobicContact CE1-CD1 3.39Å; Y95-I127 HydrophobicContact CE1-CG1 3.76Å; Y95-I127 HydrophobicContact CE2-CD1 4.3Å; I127-V129 HydrophobicContact CG2-CG2 4.12Å; I127-L169 WeakPolarHBondContact CA-O 3.48Å; I127-L169 HydrophobicContact CG1-CB 4.25Å; I127-L169 HydrophobicContact CG1-CD1 4.27Å; I127-F171 HydrophobicContact CG2-CD2 4.05Å; I127-F171 HydrophobicContact CG2-CE2 3.93Å; I127-I291 HydrophobicContact CD1-CD1 4.06Å
128	F	98.5	Very high	93.3	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.3	172.1	-175.6	-88.5	0	0	0	109.7	I60 I62 L108 L112 F126 M130 I151 L169 F170 F171 F172	I60-F128 HydrophobicContact CB-CD2 3.92Å; I60-F128 HydrophobicContact CB-CE2 4.43Å; I60-F128 HydrophobicContact CG2-CD2 3.95Å; I60-F128 HydrophobicContact CG2-CE2 3.94Å; I60-F128 CarbonylContact O-C 3.57Å; I60-F128 WeakPolarHBondContact O-CA 3.45Å; I62-F128 HydrophobicContact CG1-CE2 3.83Å; I62-F128 HydrophobicContact CG1-CZ 3.69Å; L108-F128 HydrophobicContact CD1-CE2 4.48Å; L108-F128 HydrophobicContact CD1-CZ 4.3Å; L112-F128 HydrophobicContact CD2-CD2 4.27Å; L112-F128 HydrophobicContact CD2-CE2 3.9Å; F126-F128 HydrophobicContact CE1-CB 3.95Å; F126-F128 HydrophobicContact CZ-CB 4.31Å; F128-M130 HydrophobicContact CD1-CB 4.44Å; F128-M130 HydrophobicContact CE1-CB 3.6Å; F128-M130 HydrophobicContact CE1-SD 4.28Å; F128-M130 HydrophobicContact CZ-CB 4.16Å; F128-M130 HydrophobicContact CZ-SD 4.23Å; F128-I151 HydrophobicContact CD1-CG2 4Å; F128-I151 HydrophobicContact CD2-CG2 4.37Å; F128-I151 HydrophobicContact CE1-CD1 4.15Å; F128-I151 HydrophobicContact CE1-CG2 3.62Å; F128-I151 HydrophobicContact CE2-CG2 4.05Å; F128-I151 HydrophobicContact CG-CG2 4.36Å; F128-I151 HydrophobicContact CZ-CD1 4.21Å; F128-I151 HydrophobicContact CZ-CG2 3.66Å; F128-L169 PolarHBondContact N-O 3.28Å; F128-F170 HydrophobicContact CB-CD1 3.67Å; F128-F170 HydrophobicContact CB-CE1 3.91Å; F128-F170 HydrophobicContact CD1-CD1 4.01Å; F128-F170 HydrophobicContact CG-CD1 4.09Å; F128-F170 HydrophobicContact CG-CE1 4.35Å; F128-F170 CarbonylContact O-C 3.59Å; F128-F170 WeakPolarHBondContact O-CA 3.29Å; F128-F171 PolarHBondContact O-N 2.87Å; F128-F172 HydrophobicContact CD1-CE1 4.23Å; F128-F172 AromaticContact CE1-CE1 3.95Å; F128-F172 HydrophobicContact CE1-CE1 3.95Å
129	V	98.7	Very high	93.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.6	177.6	-174.7	0	0	0	0	108.1	I60 L61 I62 V86 F90 I127 L131 F171	I60-V129 PolarHBondContact O-N 3.38Å; L61-V129 HydrophobicContact CD1-CB 4.07Å; L61-V129 HydrophobicContact CD1-CG1 3.97Å; I62-V129 PolarHBondContact N-O 3.49Å; V86-V129 HydrophobicContact CG1-CB 4.34Å; V86-V129 HydrophobicContact CG1-CG1 4.15Å; V86-V129 HydrophobicContact CG1-CG2 4.05Å; V86-V129 HydrophobicContact CG2-CG1 4.46Å; F90-V129 HydrophobicContact CE2-CG2 4.46Å; I127-V129 HydrophobicContact CG2-CG2 4.12Å; V129-L131 HydrophobicContact CG1-CD2 3.96Å; V129-L131 HydrophobicContact CG1-CG 4.48Å; V129-F171 WeakPolarHBondContact CA-O 3.43Å; V129-F171 HydrophobicContact CB-CB 4.47Å; V129-F171 HydrophobicContact CG1-CB 4.22Å; V129-F171 HydrophobicContact CG2-CB 4.17Å; V129-F171 HydrophobicContact CG2-CD2 4.03Å; V129-F171 HydrophobicContact CG2-CG 4.48Å
130	M	98.5	Very high	93.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.4	174.5	-174	166.6	-178.2	0	0	111.9	I62 Q64 F128 I139 Y140 I151 F171 F172 Q173	I62-M130 HydrophobicContact CB-CB 4.07Å; I62-M130 HydrophobicContact CB-CG 3.82Å; I62-M130 HydrophobicContact CB-SD 4.34Å; I62-M130 HydrophobicContact CG2-CE 3.94Å; I62-M130 HydrophobicContact CG2-CG 3.82Å; I62-M130 HydrophobicContact CG2-SD 4.06Å; I62-M130 WeakPolarHBondContact O-CA 3.34Å; Q64-M130 HydrophobicContact CG-CE 3.92Å; F128-M130 HydrophobicContact CD1-CB 4.44Å; F128-M130 HydrophobicContact CE1-CB 3.6Å; F128-M130 HydrophobicContact CE1-SD 4.28Å; F128-M130 HydrophobicContact CZ-CB 4.16Å; F128-M130 HydrophobicContact CZ-SD 4.23Å; M130-I139 HydrophobicContact CB-CD1 3.92Å; M130-I139 HydrophobicContact CE-CD1 4.43Å; M130-I139 HydrophobicContact CE-CG1 4.13Å; M130-I139 HydrophobicContact CE-CG2 4.18Å; M130-I139 HydrophobicContact CG-CD1 3.56Å; M130-I139 HydrophobicContact CG-CG1 4.26Å; M130-I139 HydrophobicContact SD-CD1 3.87Å; M130-I139 HydrophobicContact SD-CG1 4.13Å; M130-I139 HydrophobicContact SD-CG2 3.89Å; M130-Y140 VanDerWaalsContact CE-O 3.26Å; M130-Y140 WeakPolarHBondContact CE-O 3.47Å; M130-I151 HydrophobicContact SD-CD1 3.94Å; M130-F171 PolarHBondContact N-O 3.37Å; M130-F172 HydrophobicContact CB-CD1 4.2Å; M130-F172 HydrophobicContact CB-CE1 4.39Å; M130-Q173 PolarHBondContact O-N 3.38Å
131	L	98.6	Very high	93.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	104.1	-179.2	-46	178.3	0	0	0	107.6	L61 I62 Q64 R76 D82 A83 V129 Q173 I229	L61-L131 HydrophobicContact CD1-CD1 4.09Å; L61-L131 HydrophobicContact CD1-CG 4.27Å; I62-L131 PolarHBondContact O-N 2.91Å; Q64-L131 WeakPolarHBondContact CB-O 3.38Å; Q64-L131 PolarHBondContact N-O 3.49Å; R76-L131 PolarHBondContact NH1-O 3.01Å; D82-L131 HydrophobicContact CB-CD1 3.75Å; A83-L131 HydrophobicContact CB-CD1 3.91Å; V129-L131 HydrophobicContact CG1-CD2 3.96Å; V129-L131 HydrophobicContact CG1-CG 4.48Å; L131-Q173 HydrophobicContact CD2-CB 3.71Å; L131-Q173 HydrophobicContact CD2-CG 4.27Å; L131-I229 HydrophobicContact CD2-CD1 3.71Å; L131-I229 HydrophobicContact CD2-CG1 3.79Å
132	S	98.2	Very high	93.7	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.021	13%	0.129	C	C	.	.	S	Bend	trans	-151.1	-172.2	-177.4	-159.3	0	0	0	0	113.1	Q64 F67 R76 Y140 Q173	Q64-S132 WeakPolarHBondContact CB-OG 3.41Å; Q64-S132 WeakPolarHBondContact CG-OG 3.48Å; F67-S132 WeakPolarHBondContact CZ-OG 3.37Å; R76-S132 VanDerWaalsContact CZ-C 3.49Å; R76-S132 VanDerWaalsContact CZ-CA 3.42Å; R76-S132 PolarHBondContact NE-O 3.45Å; R76-S132 PolarHBondContact NH2-O 2.96Å; S132-Y140 PolarHBondContact OG-O 2.93Å; S132-Q173 PolarHBondContact N-O 2.95Å; S132-Q173 VanDerWaalsContact O-O 3.04Å
133	H	95.9	Very high	93.9	Very high	34 Å²	34	22.8 Å²	22.8	16%	0.157	12%	0.118	C	C	.	.			trans	-82.3	165.1	156.2	-65.3	-58.7	0	0	0	109.1	F67 Q73 S74 R76 I139 Y140	F67-H133 AromaticContact CE2-CD2 3.57Å; F67-H133 AromaticContact CZ-CD2 3.72Å; Q73-H133 PolarHBondContact OE1-CD2 2.79Å; S74-H133 PolarHBondContact O-NE2 3.41Å; S74-H133 PolarHBondContact OG-NE2 3.46Å; R76-H133 VanDerWaalsContact CG-CE1 3.49Å; R76-H133 WeakPolarHBondContact CG-CE1 3.42Å; R76-H133 VanDerWaalsContact CG-NE2 3.33Å; R76-H133 WeakPolarHBondContact CG-NE2 3.37Å; H133-I139 WeakPolarHBondContact O-CG1 3.23Å; H133-Y140 HydrophobicContact CB-CD2 3.89Å; H133-Y140 HydrophobicContact CB-CG 4.5Å; H133-Y140 PolarHBondContact O-N 2.88Å
134	G	90.8	Very high	94.1	Very high	13 Å²	13	21.6 Å²	21.6	13%	0.134	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	178.5	178.6	0	0	0	0	0	112.7	I138 C175	G134-I138 CarbonylContact C-O 3.56Å; G134-I138 WeakPolarHBondContact CA-O 3.41Å; G134-C175 CarbonylContact C-O 3.6Å; G134-C175 CarbonylContact O-C 3.26Å; G134-C175 WeakPolarHBondContact O-CB 3.21Å
135	D	85.3	Confident	94.1	Very high	75 Å²	75	26.5 Å²	26.5	40%	0.401	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-168.5	175.5	-154.4	-32.8	0	0	0	108.3	N137 I138 C175 G177	D135-N137 PolarHBondContact O-N 2.98Å; D135-I138 HydrophobicContact CB-CB 4.43Å; D135-I138 PolarHBondContact N-O 3.41Å; D135-I138 PolarHBondContact O-N 2.9Å; D135-I138 VanDerWaalsContact O-O 3.1Å; D135-C175 PolarHBondContact N-O 3.24Å; D135-G177 VanDerWaalsContact OD1-CA 3.23Å; D135-G177 WeakPolarHBondContact OD1-CA 3.32Å; D135-G177 PolarHBondContact OD1-N 3.39Å
136	N	78.8	Confident	93.8	Very high	69 Å²	69	27.5 Å²	27.5	37%	0.369	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	102.9	-179	-90.2	-52.2	0	0	0	112.3	I138 R176 P214 G215	N136-I138 PolarHBondContact O-N 3.45Å; N136-R176 PolarHBondContact ND2-O 3.01Å; N136-R176 PolarHBondContact OD1-O 3.1Å; N136-R176 VanDerWaalsContact OD1-O 3.07Å; N136-P214 WeakPolarHBondContact OD1-CB 3.34Å; N136-G215 PolarHBondContact OD1-N 3.49Å
137	N	77.8	Confident	93.2	Very high	77 Å²	77	31.8 Å²	31.8	41%	0.412	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	12.9	-178.9	-41.7	-48.1	0	0	0	114.6	D135 L147 T148 R176	D135-N137 PolarHBondContact O-N 2.98Å; N137-L147 CarbonylContact O-C 3.5Å; N137-L147 WeakPolarHBondContact O-CA 3.25Å; N137-T148 PolarHBondContact O-N 3.44Å; N137-T148 PolarHBondContact O-OG1 2.85Å; N137-R176 PolarHBondContact OD1-NH2 3.23Å
138	I	86	Confident	92.6	Very high	39 Å²	39	32 Å²	32	20%	0.2	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.8	-179.9	-72.2	169.7	0	0	0	109.7	G134 D135 N136 E145 V146 L147	G134-I138 CarbonylContact C-O 3.56Å; G134-I138 WeakPolarHBondContact CA-O 3.41Å; D135-I138 HydrophobicContact CB-CB 4.43Å; D135-I138 PolarHBondContact N-O 3.41Å; D135-I138 PolarHBondContact O-N 2.9Å; D135-I138 VanDerWaalsContact O-O 3.1Å; N136-I138 PolarHBondContact O-N 3.45Å; I138-E145 HydrophobicContact CG2-CB 3.65Å; I138-V146 WeakPolarHBondContact CA-O 3.48Å; I138-L147 HydrophobicContact CG1-CD2 3.95Å
139	I	92	Very high	91.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.1	172.1	-162.8	162.8	0	0	0	110.3	M130 H133 V146 T148 I151 F172 A174	M130-I139 HydrophobicContact CB-CD1 3.92Å; M130-I139 HydrophobicContact CE-CD1 4.43Å; M130-I139 HydrophobicContact CE-CG1 4.13Å; M130-I139 HydrophobicContact CE-CG2 4.18Å; M130-I139 HydrophobicContact CG-CD1 3.56Å; M130-I139 HydrophobicContact CG-CG1 4.26Å; M130-I139 HydrophobicContact SD-CD1 3.87Å; M130-I139 HydrophobicContact SD-CG1 4.13Å; M130-I139 HydrophobicContact SD-CG2 3.89Å; H133-I139 WeakPolarHBondContact O-CG1 3.23Å; I139-V146 HydrophobicContact CG2-CG2 3.78Å; I139-V146 PolarHBondContact N-O 3.11Å; I139-V146 WeakPolarHBondContact O-CG2 3.49Å; I139-V146 PolarHBondContact O-N 2.86Å; I139-T148 HydrophobicContact CB-CG2 4.14Å; I139-T148 HydrophobicContact CG2-CG2 4.01Å; I139-I151 HydrophobicContact CG2-CD1 3.86Å; I139-F172 HydrophobicContact CD1-CD1 3.7Å; I139-F172 HydrophobicContact CD1-CE1 4.39Å; I139-A174 HydrophobicContact CD1-CB 4.07Å; I139-A174 HydrophobicContact CG1-CB 4.19Å
140	Y	97.9	Very high	91.3	Very high	42 Å²	42	39.5 Å²	39.5	17%	0.165	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.2	-175	-76.9	-92.5	0	0	0	112.5	Q73 M130 S132 H133 E145	Q73-Y140 HydrophobicContact CG-CD1 3.74Å; Q73-Y140 HydrophobicContact CG-CD2 4.37Å; Q73-Y140 HydrophobicContact CG-CE1 3.89Å; Q73-Y140 HydrophobicContact CG-CE2 4.49Å; Q73-Y140 HydrophobicContact CG-CG 4.01Å; M130-Y140 VanDerWaalsContact CE-O 3.26Å; M130-Y140 WeakPolarHBondContact CE-O 3.47Å; S132-Y140 PolarHBondContact OG-O 2.93Å; H133-Y140 HydrophobicContact CB-CD2 3.89Å; H133-Y140 HydrophobicContact CB-CG 4.5Å; H133-Y140 PolarHBondContact O-N 2.88Å; Y140-E145 HydrophobicContact CD1-CB 4.49Å; Y140-E145 HydrophobicContact CE1-CB 4.28Å
141	A	98	Very high	91.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	174.5	151.9	0	0	0	0	0	109.8	K105 D143 G144	K105-A141 HydrophobicContact CG-CB 3.67Å; A141-D143 VanDerWaalsContact C-N 3.31Å; A141-D143 PolarHBondContact O-N 2.74Å; A141-G144 CarbonylContact C-O 3.5Å; A141-G144 WeakPolarHBondContact CA-O 3.5Å; A141-G144 WeakPolarHBondContact CB-O 3.21Å; A141-G144 PolarHBondContact N-O 3.15Å; A141-G144 PolarHBondContact O-N 2.9Å
142	N	98.2	Very high	90.6	Very high	33 Å²	33	40.8 Å²	40.8	18%	0.176	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-39	-178.2	169.7	-93.1	0	0	0	112.4	Q64 D66 F67 H68 T71 N102 I103 T104	Q64-N142 VanDerWaalsContact NE2-N 3.17Å; D66-N142 PolarHBondContact O-ND2 2.88Å; F67-N142 WeakPolarHBondContact CA-ND2 3.33Å; H68-N142 WeakPolarHBondContact CB-O 3.37Å; H68-N142 PolarHBondContact N-O 2.91Å; T71-N142 WeakPolarHBondContact CG2-O 3.36Å; N102-N142 WeakPolarHBondContact O-CB 3.47Å; I103-N142 WeakPolarHBondContact O-CB 3.29Å; I103-N142 PolarHBondContact O-N 3.13Å; T104-N142 HydrophobicContact CG2-CB 4.35Å
143	D	97.9	Very high	90.1	Very high	52 Å²	52	41.1 Å²	41.1	28%	0.278	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	11.2	-174.8	64.4	-53.5	0	0	0	114	T104 K105 A141	T104-D143 WeakPolarHBondContact CA-OD1 3.43Å; T104-D143 VanDerWaalsContact CB-OD1 3.28Å; T104-D143 WeakPolarHBondContact CB-OD1 3.41Å; K105-D143 WeakPolarHBondContact CE-OD2 3.45Å; K105-D143 PolarHBondContact N-OD1 2.73Å; K105-D143 PolarHBondContact NZ-O 3.08Å; K105-D143 IonicContact NZ-OD2 2.8Å; A141-D143 VanDerWaalsContact C-N 3.31Å; A141-D143 PolarHBondContact O-N 2.74Å
144	G	97.4	Very high	90	Very high	10 Å²	10	40.2 Å²	40.2	10%	0.103	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.1	-175.5	172.6	0	0	0	0	0	114.7	A141	A141-G144 CarbonylContact C-O 3.5Å; A141-G144 WeakPolarHBondContact CA-O 3.5Å; A141-G144 WeakPolarHBondContact CB-O 3.21Å; A141-G144 PolarHBondContact N-O 3.15Å; A141-G144 PolarHBondContact O-N 2.9Å
145	E	94.7	Very high	90	Very high	109 Å²	109	39.6 Å²	39.6	51%	0.509	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	150.8	-179.3	54.5	-178.5	-135.1	0	0	114.5	I138 Y140	I138-E145 HydrophobicContact CG2-CB 3.65Å; Y140-E145 HydrophobicContact CD1-CB 4.49Å; Y140-E145 HydrophobicContact CE1-CB 4.28Å
146	V	91.3	Very high	89.9	Confident	21 Å²	21	39.2 Å²	39.2	13%	0.127	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.7	162.3	-62.6	0	0	0	0	109.9	K105 L108 I138 I139 I151	K105-V146 HydrophobicContact CD-CG1 4.05Å; K105-V146 HydrophobicContact CG-CG1 3.78Å; L108-V146 HydrophobicContact CD2-CG1 4.4Å; L108-V146 HydrophobicContact CD2-CG2 3.93Å; I138-V146 WeakPolarHBondContact CA-O 3.48Å; I139-V146 HydrophobicContact CG2-CG2 3.78Å; I139-V146 PolarHBondContact N-O 3.11Å; I139-V146 WeakPolarHBondContact O-CG2 3.49Å; I139-V146 PolarHBondContact O-N 2.86Å; V146-I151 HydrophobicContact CG2-CD1 4.06Å; V146-I151 HydrophobicContact CG2-CG1 4.38Å
147	L	84.9	Confident	89.7	Confident	89 Å²	89	36.9 Å²	36.9	47%	0.466	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.7	172.5	-64.9	172.6	0	0	0	110.7	N137 I138 S149 Y150 I151	N137-L147 CarbonylContact O-C 3.5Å; N137-L147 WeakPolarHBondContact O-CA 3.25Å; I138-L147 HydrophobicContact CG1-CD2 3.95Å; L147-S149 PolarHBondContact O-N 3.19Å; L147-Y150 WeakPolarHBondContact O-CB 3.34Å; L147-Y150 PolarHBondContact O-N 3.44Å; L147-Y150 VanDerWaalsContact O-N 3.1Å; L147-I151 PolarHBondContact O-N 3Å
148	T	85.8	Confident	89.9	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-32.9	172.2	58.1	0	0	0	0	111.5	N137 I139 Y150 I151 M152 F172 Y210	N137-T148 PolarHBondContact O-N 3.44Å; N137-T148 PolarHBondContact O-OG1 2.85Å; I139-T148 HydrophobicContact CB-CG2 4.14Å; I139-T148 HydrophobicContact CG2-CG2 4.01Å; T148-Y150 VanDerWaalsContact C-N 3.32Å; T148-Y150 PolarHBondContact O-N 3.1Å; T148-I151 WeakPolarHBondContact O-CB 3.48Å; T148-I151 PolarHBondContact O-N 3.48Å; T148-M152 WeakPolarHBondContact O-CG 3.27Å; T148-M152 PolarHBondContact O-N 3.03Å; T148-M152 VanDerWaalsContact O-N 3.12Å; T148-F172 HydrophobicContact CG2-CD1 4.08Å; T148-F172 HydrophobicContact CG2-CD2 4.21Å; T148-F172 HydrophobicContact CG2-CE1 3.97Å; T148-F172 HydrophobicContact CG2-CE2 4.11Å; T148-F172 HydrophobicContact CG2-CG 4.2Å; T148-F172 HydrophobicContact CG2-CZ 4Å; T148-Y210 HydrophobicContact CG2-CE1 4.33Å; T148-Y210 PolarHBondContact OG1-OH 2.84Å
149	S	83.4	Confident	89.8	Confident	58 Å²	58	41 Å²	41	41%	0.406	21%	0.205	S	C	.	.	H	α-helix	trans	-65.1	-31	173.2	56.7	0	0	0	0	113.6	L147 I151 M152 A153	L147-S149 PolarHBondContact O-N 3.19Å; S149-I151 VanDerWaalsContact C-N 3.35Å; S149-M152 PolarHBondContact O-N 3.21Å; S149-A153 VanDerWaalsContact O-CB 3.27Å; S149-A153 WeakPolarHBondContact O-CB 3.33Å; S149-A153 PolarHBondContact O-N 2.97Å
150	Y	86.9	Confident	89.7	Confident	101 Å²	101	41 Å²	41	40%	0.396	21%	0.205	S	C	.	.	H	α-helix	trans	-64.5	-41.1	173.8	176.2	-94	0	0	0	111.2	H109 L147 T148 F154	H109-Y150 PolarHBondContact ND1-OH 3.46Å; L147-Y150 WeakPolarHBondContact O-CB 3.34Å; L147-Y150 PolarHBondContact O-N 3.44Å; L147-Y150 VanDerWaalsContact O-N 3.1Å; T148-Y150 VanDerWaalsContact C-N 3.32Å; T148-Y150 PolarHBondContact O-N 3.1Å; Y150-F154 HydrophobicContact CD1-CE2 4.21Å; Y150-F154 AromaticContact CE1-CE2 3.79Å; Y150-F154 HydrophobicContact CE1-CE2 3.79Å; Y150-F154 HydrophobicContact CE1-CZ 4.37Å; Y150-F154 HydrophobicContact CE2-CE2 4.44Å; Y150-F154 AromaticContact CZ-CE2 3.93Å; Y150-F154 VanDerWaalsContact O-CD2 3.27Å; Y150-F154 WeakPolarHBondContact O-CD2 3.34Å
151	I	92.6	Very high	89.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-50.1	176.2	-58.8	178.5	0	0	0	110.5	L108 L112 F128 M130 I139 V146 L147 T148 S149 A153 F154 F170 F172	L108-I151 HydrophobicContact CD2-CD1 4.4Å; L112-I151 HydrophobicContact CD1-CB 4.37Å; L112-I151 HydrophobicContact CD1-CG1 4.25Å; L112-I151 HydrophobicContact CD1-CG2 4.17Å; L112-I151 HydrophobicContact CD2-CG2 3.78Å; F128-I151 HydrophobicContact CD1-CG2 4Å; F128-I151 HydrophobicContact CD2-CG2 4.37Å; F128-I151 HydrophobicContact CE1-CD1 4.15Å; F128-I151 HydrophobicContact CE1-CG2 3.62Å; F128-I151 HydrophobicContact CE2-CG2 4.05Å; F128-I151 HydrophobicContact CG-CG2 4.36Å; F128-I151 HydrophobicContact CZ-CD1 4.21Å; F128-I151 HydrophobicContact CZ-CG2 3.66Å; M130-I151 HydrophobicContact SD-CD1 3.94Å; I139-I151 HydrophobicContact CG2-CD1 3.86Å; V146-I151 HydrophobicContact CG2-CD1 4.06Å; V146-I151 HydrophobicContact CG2-CG1 4.38Å; L147-I151 PolarHBondContact O-N 3Å; T148-I151 WeakPolarHBondContact O-CB 3.48Å; T148-I151 PolarHBondContact O-N 3.48Å; S149-I151 VanDerWaalsContact C-N 3.35Å; I151-A153 VanDerWaalsContact C-N 3.29Å; I151-A153 PolarHBondContact O-N 3.35Å; I151-F154 PolarHBondContact O-N 3.06Å; I151-F170 HydrophobicContact CG2-CE1 4.42Å; I151-F172 HydrophobicContact CD1-CE1 4.14Å
152	M	89.3	Confident	89.1	Confident	26 Å²	26	44.2 Å²	44.2	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-34.1	-178.2	-64.9	-177.2	-63.5	0	0	112.6	T148 S149 F154 F155 F170 F172 V208	T148-M152 WeakPolarHBondContact O-CG 3.27Å; T148-M152 PolarHBondContact O-N 3.03Å; T148-M152 VanDerWaalsContact O-N 3.12Å; S149-M152 PolarHBondContact O-N 3.21Å; M152-F154 PolarHBondContact O-N 3.12Å; M152-F155 PolarHBondContact O-N 3.4Å; M152-F170 HydrophobicContact CB-CE1 4.37Å; M152-F170 HydrophobicContact CB-CE2 4.4Å; M152-F170 HydrophobicContact CB-CZ 4.22Å; M152-F170 HydrophobicContact CG-CB 4.47Å; M152-F170 HydrophobicContact CG-CD1 3.72Å; M152-F170 HydrophobicContact CG-CD2 3.92Å; M152-F170 HydrophobicContact CG-CE1 3.86Å; M152-F170 HydrophobicContact CG-CE2 4.04Å; M152-F170 HydrophobicContact CG-CG 3.77Å; M152-F170 HydrophobicContact CG-CZ 4.02Å; M152-F170 HydrophobicContact SD-CB 4.42Å; M152-F170 HydrophobicContact SD-CD2 4.23Å; M152-F170 HydrophobicContact SD-CG 4.2Å; M152-F172 HydrophobicContact CG-CE2 4.48Å; M152-F172 HydrophobicContact SD-CE2 4.21Å; M152-V208 HydrophobicContact CE-CG2 4.41Å; M152-V208 HydrophobicContact SD-CB 4.33Å; M152-V208 HydrophobicContact SD-CG1 3.95Å; M152-V208 HydrophobicContact SD-CG2 3.38Å; M152-V208 WeakPolarHBondContact SD-CG2 3.46Å
153	A	87.4	Confident	88.8	Confident	10 Å²	10	42.6 Å²	42.6	8%	0.083	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.6	-177.8	0	0	0	0	0	115.1	S149 I151 R159	S149-A153 VanDerWaalsContact O-CB 3.27Å; S149-A153 WeakPolarHBondContact O-CB 3.33Å; S149-A153 PolarHBondContact O-N 2.97Å; I151-A153 VanDerWaalsContact C-N 3.29Å; I151-A153 PolarHBondContact O-N 3.35Å; A153-R159 VanDerWaalsContact O-CD 3.31Å; A153-R159 WeakPolarHBondContact O-CD 3.31Å; A153-R159 PolarHBondContact O-NH1 2.78Å
154	F	92.9	Very high	88.3	Confident	15 Å²	15	43.9 Å²	43.9	7%	0.066	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-26.5	172	-80.3	-98	0	0	0	113.4	H109 L112 L113 S116 Y150 I151 M152 R159	H109-F154 AromaticContact CE1-CZ 3.89Å; H109-F154 AromaticContact ND1-CZ 3.68Å; L112-F154 HydrophobicContact CB-CB 4.29Å; L112-F154 HydrophobicContact CB-CD1 3.8Å; L112-F154 HydrophobicContact CB-CD2 3.87Å; L112-F154 HydrophobicContact CB-CE1 4.05Å; L112-F154 HydrophobicContact CB-CE2 4.13Å; L112-F154 HydrophobicContact CB-CG 3.72Å; L112-F154 HydrophobicContact CB-CZ 4.21Å; L112-F154 HydrophobicContact CD1-CD2 4.05Å; L112-F154 HydrophobicContact CD1-CE2 4.09Å; L112-F154 HydrophobicContact CG-CD2 4.49Å; L112-F154 WeakPolarHBondContact O-CD1 3.21Å; L113-F154 HydrophobicContact CB-CE1 4.15Å; S116-F154 WeakPolarHBondContact CB-O 3.17Å; Y150-F154 HydrophobicContact CD1-CE2 4.21Å; Y150-F154 AromaticContact CE1-CE2 3.79Å; Y150-F154 HydrophobicContact CE1-CE2 3.79Å; Y150-F154 HydrophobicContact CE1-CZ 4.37Å; Y150-F154 HydrophobicContact CE2-CE2 4.44Å; Y150-F154 AromaticContact CZ-CE2 3.93Å; Y150-F154 VanDerWaalsContact O-CD2 3.27Å; Y150-F154 WeakPolarHBondContact O-CD2 3.34Å; I151-F154 PolarHBondContact O-N 3.06Å; M152-F154 PolarHBondContact O-N 3.12Å; F154-R159 WeakPolarHBondContact O-CB 3.43Å
155	F	92	Very high	87.6	Confident	1 Å²	1	44 Å²	44	0%	0.004	23%	0.229	C	C	.	.	S	Bend	trans	-106.2	11.2	-172.5	-54.6	-80	0	0	0	113.3	L112 A115 F126 M152 L163 K168 F170	L112-F155 HydrophobicContact CD2-CE2 3.65Å; L112-F155 HydrophobicContact CD2-CZ 3.98Å; A115-F155 HydrophobicContact CB-CE1 3.8Å; A115-F155 HydrophobicContact CB-CZ 3.85Å; F126-F155 AromaticContact CD1-CD1 3.9Å; F126-F155 HydrophobicContact CD1-CD1 3.9Å; F126-F155 HydrophobicContact CD1-CD2 4.41Å; F126-F155 HydrophobicContact CD1-CE1 4.1Å; F126-F155 HydrophobicContact CD1-CG 4.06Å; F126-F155 HydrophobicContact CD1-CZ 4.44Å; F126-F155 HydrophobicContact CD2-CE1 4.3Å; F126-F155 AromaticContact CE1-CD1 3.75Å; F126-F155 HydrophobicContact CE1-CD1 3.75Å; F126-F155 AromaticContact CE1-CD2 3.82Å; F126-F155 HydrophobicContact CE1-CD2 3.82Å; F126-F155 AromaticContact CE1-CE1 3.57Å; F126-F155 HydrophobicContact CE1-CE1 3.57Å; F126-F155 AromaticContact CE1-CE2 3.62Å; F126-F155 HydrophobicContact CE1-CE2 3.62Å; F126-F155 AromaticContact CE1-CG 3.87Å; F126-F155 HydrophobicContact CE1-CG 3.87Å; F126-F155 AromaticContact CE1-CZ 3.5Å; F126-F155 HydrophobicContact CE1-CZ 3.5Å; F126-F155 HydrophobicContact CE2-CD1 4.45Å; F126-F155 AromaticContact CE2-CE1 3.8Å; F126-F155 HydrophobicContact CE2-CE1 3.8Å; F126-F155 HydrophobicContact CE2-CZ 4.08Å; F126-F155 HydrophobicContact CG-CD1 4.32Å; F126-F155 HydrophobicContact CG-CE1 4.45Å; F126-F155 HydrophobicContact CZ-CD1 4.06Å; F126-F155 HydrophobicContact CZ-CD2 4.46Å; F126-F155 AromaticContact CZ-CE1 3.4Å; F126-F155 HydrophobicContact CZ-CE1 3.4Å; F126-F155 VanDerWaalsContact CZ-CE1 3.4Å; F126-F155 AromaticContact CZ-CE2 3.85Å; F126-F155 HydrophobicContact CZ-CE2 3.85Å; F126-F155 AromaticContact CZ-CZ 3.28Å; F126-F155 HydrophobicContact CZ-CZ 3.28Å; M152-F155 PolarHBondContact O-N 3.4Å; F155-L163 HydrophobicContact CB-CD1 4.43Å; F155-L163 HydrophobicContact CD1-CD1 3.96Å; F155-K168 HydrophobicContact CB-CD 3.99Å; F155-K168 WeakPolarHBondContact O-CD 3.17Å; F155-K168 WeakPolarHBondContact O-CE 3.17Å; F155-F170 HydrophobicContact CB-CZ 4.2Å; F155-F170 AromaticContact CD2-CE1 3.88Å; F155-F170 HydrophobicContact CD2-CE1 3.88Å; F155-F170 AromaticContact CD2-CZ 3.68Å; F155-F170 HydrophobicContact CD2-CZ 3.68Å; F155-F170 HydrophobicContact CE2-CE1 4.29Å; F155-F170 HydrophobicContact CE2-CZ 4.5Å; F155-F170 HydrophobicContact CG-CZ 4.24Å
156	R	82.1	Confident	87.4	Confident	66 Å²	66	39.6 Å²	39.6	25%	0.249	21%	0.208	C	C	.	.	S	Bend	trans	-59.5	153.6	169.4	-74.8	172.7	169	178.9	-1.2	111.5	D158 R159 C160 I202 E203	R156-D158 WeakPolarHBondContact CB-OD1 3.43Å; R156-D158 PolarHBondContact O-N 3.05Å; R156-D158 VanDerWaalsContact O-N 3.13Å; R156-R159 PolarHBondContact O-N 3.18Å; R156-C160 PolarHBondContact O-N 3.15Å; R156-I202 HydrophobicContact CB-CG2 3.73Å; R156-I202 HydrophobicContact CG-CG2 3.96Å; R156-E203 VanDerWaalsContact CG-OE2 3.24Å; R156-E203 WeakPolarHBondContact CG-OE2 3.34Å; R156-E203 IonicContact CZ-OE1 3.17Å; R156-E203 IonicContact CZ-OE2 2.73Å; R156-E203 IonicContact NE-OE1 2.67Å; R156-E203 PolarHBondContact NE-OE1 3.44Å; R156-E203 IonicContact NE-OE2 3.63Å; R156-E203 PolarHBondContact NE-OE2 3.27Å; R156-E203 IonicContact NH2-OE1 2.78Å; R156-E203 PolarHBondContact NH2-OE1 3.24Å; R156-E203 IonicContact NH2-OE2 3.36Å
157	G	75.4	Confident	87.5	Confident	20 Å²	20	38.6 Å²	38.6	21%	0.206	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.5	-176.2	0	0	0	0	0	114.7	R159 I202	G157-R159 VanDerWaalsContact C-N 3.35Å; G157-I202 PolarHBondContact N-O 3.42Å
158	D	81.9	Confident	88	Confident	92 Å²	92	34.4 Å²	34.4	49%	0.492	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.9	175.4	68	-49.1	0	0	0	113.9	R156 I202	R156-D158 WeakPolarHBondContact CB-OD1 3.43Å; R156-D158 PolarHBondContact O-N 3.05Å; R156-D158 VanDerWaalsContact O-N 3.13Å; D158-I202 HydrophobicContact CB-CG2 4.47Å; D158-I202 VanDerWaalsContact OD1-CG2 3.24Å; D158-I202 WeakPolarHBondContact OD1-CG2 3.41Å
159	R	84.6	Confident	88.5	Confident	112 Å²	112	34.2 Å²	34.2	42%	0.423	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-24.4	-174.2	-57.2	-162.9	-169.7	171.3	-11.1	114.9	Q117 A153 F154 R156 G157	Q117-R159 PolarHBondContact NE2-O 2.96Å; A153-R159 VanDerWaalsContact O-CD 3.31Å; A153-R159 WeakPolarHBondContact O-CD 3.31Å; A153-R159 PolarHBondContact O-NH1 2.78Å; F154-R159 WeakPolarHBondContact O-CB 3.43Å; R156-R159 PolarHBondContact O-N 3.18Å; G157-R159 VanDerWaalsContact C-N 3.35Å
160	C	89.8	Confident	89	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.			trans	-130.6	76	173.9	-165.8	0	0	0	0	110.1	S116 R156 S162 L163	S116-C160 PolarHBondContact O-SG 3.28Å; R156-C160 PolarHBondContact O-N 3.15Å; C160-S162 PolarHBondContact O-N 3.21Å; C160-S162 VanDerWaalsContact O-N 3.16Å; C160-L163 HydrophobicContact CB-CD1 4.36Å; C160-L163 PolarHBondContact O-N 2.95Å; C160-L163 VanDerWaalsContact SG-CD1 3.54Å
161	P	89.1	Confident	89.5	Confident	87 Å²	87	26.6 Å²	26.6	57%	0.565	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-60.6	-27.4	-173.2	-26.5	36.8	0	0	0	114.3	L163 I164	P161-L163 PolarHBondContact O-N 3.42Å; P161-L163 VanDerWaalsContact O-N 3.15Å; P161-I164 HydrophobicContact CB-CD1 4.1Å; P161-I164 WeakPolarHBondContact O-CB 3.49Å; P161-I164 WeakPolarHBondContact O-CG1 3.48Å; P161-I164 PolarHBondContact O-N 2.85Å; P161-I164 VanDerWaalsContact O-N 3.13Å
162	S	93.7	Very high	89.5	Confident	21 Å²	21	26.7 Å²	26.7	15%	0.147	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-68.1	-6.2	176.3	57.7	0	0	0	0	114.1	A118 H120 C160 K166	A118-S162 PolarHBondContact O-OG 3.34Å; H120-S162 PolarHBondContact N-OG 3.44Å; C160-S162 PolarHBondContact O-N 3.21Å; C160-S162 VanDerWaalsContact O-N 3.16Å; S162-K166 WeakPolarHBondContact O-CE 3.31Å
163	L	92.1	Very high	89.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-114.1	13.9	173.4	-63.8	176.9	0	0	0	114.1	H120 F126 F155 C160 P161 K166 K168	H120-L163 HydrophobicContact CB-CD2 3.42Å; H120-L163 VanDerWaalsContact CB-CD2 3.42Å; H120-L163 HydrophobicContact CB-CG 3.84Å; F126-L163 HydrophobicContact CB-CD1 3.54Å; F126-L163 HydrophobicContact CB-CD2 3.82Å; F126-L163 HydrophobicContact CB-CG 4.36Å; F126-L163 HydrophobicContact CD1-CD1 4.48Å; F126-L163 HydrophobicContact CG-CD1 3.95Å; F155-L163 HydrophobicContact CB-CD1 4.43Å; F155-L163 HydrophobicContact CD1-CD1 3.96Å; C160-L163 HydrophobicContact CB-CD1 4.36Å; C160-L163 PolarHBondContact O-N 2.95Å; C160-L163 VanDerWaalsContact SG-CD1 3.54Å; P161-L163 PolarHBondContact O-N 3.42Å; P161-L163 VanDerWaalsContact O-N 3.15Å; L163-K166 HydrophobicContact CD2-CB 4.43Å; L163-K166 HydrophobicContact CD2-CD 4.28Å; L163-K166 PolarHBondContact O-N 2.78Å; L163-K168 HydrophobicContact CB-CD 4.08Å; L163-K168 HydrophobicContact CB-CG 4.34Å; L163-K168 HydrophobicContact CD1-CD 4.38Å; L163-K168 HydrophobicContact CD1-CG 4.28Å; L163-K168 PolarHBondContact O-NZ 2.91Å
164	I	86.8	Confident	90.1	Very high	78 Å²	78	25.6 Å²	25.6	40%	0.4	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	139.3	166.9	-67	169.5	0	0	0	109.3	P161 K166 L200	P161-I164 HydrophobicContact CB-CD1 4.1Å; P161-I164 WeakPolarHBondContact O-CB 3.49Å; P161-I164 WeakPolarHBondContact O-CG1 3.48Å; P161-I164 PolarHBondContact O-N 2.85Å; P161-I164 VanDerWaalsContact O-N 3.13Å; I164-K166 PolarHBondContact O-N 3.4Å; I164-K166 VanDerWaalsContact O-N 3.17Å; I164-L200 HydrophobicContact CG2-CD1 4.07Å
165	A	83.4	Confident	89.7	Confident	14 Å²	14	26 Å²	26	12%	0.116	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	21.1	-175.7	0	0	0	0	0	114.5	L29 Y43 L200 D205	L29-A165 HydrophobicContact CD1-CB 4.25Å; L29-A165 HydrophobicContact CD2-CB 4.49Å; Y43-A165 WeakPolarHBondContact CD1-O 3.27Å; A165-L200 HydrophobicContact CB-CD1 4.14Å; A165-D205 VanDerWaalsContact CA-OD2 3.22Å; A165-D205 WeakPolarHBondContact CA-OD2 3.31Å; A165-D205 PolarHBondContact N-OD2 3.25Å
166	K	90.3	Very high	89.2	Confident	15 Å²	15	26.7 Å²	26.7	7%	0.065	14%	0.142	C	C	.	.	S	Bend	trans	-124.6	139.5	177.3	-60.3	-171.2	-171.3	-170.4	0	111.2	H120 S121 Y123 S162 L163 I164 K168 D205	H120-K166 PolarHBondContact O-NZ 3.5Å; S121-K166 VanDerWaalsContact C-NZ 3.29Å; S121-K166 PolarHBondContact O-NZ 3.07Å; Y123-K166 WeakPolarHBondContact O-CD 3.27Å; Y123-K166 WeakPolarHBondContact O-CE 3.21Å; Y123-K166 PolarHBondContact O-NZ 3.02Å; S162-K166 WeakPolarHBondContact O-CE 3.31Å; L163-K166 HydrophobicContact CD2-CB 4.43Å; L163-K166 HydrophobicContact CD2-CD 4.28Å; L163-K166 PolarHBondContact O-N 2.78Å; I164-K166 PolarHBondContact O-N 3.4Å; I164-K166 VanDerWaalsContact O-N 3.17Å; K166-K168 PolarHBondContact O-NZ 2.9Å; K166-D205 VanDerWaalsContact O-CB 3.27Å; K166-D205 WeakPolarHBondContact O-CB 3.33Å
167	P	93.2	Very high	89	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.			trans	-70.5	138.1	-179.6	26.9	-30.2	0	0	0	111.6	Y43 S125 F126 L169 D205 L285 F289	Y43-P167 HydrophobicContact CD1-CG 4.5Å; Y43-P167 HydrophobicContact CD2-CB 4.18Å; Y43-P167 HydrophobicContact CD2-CG 3.78Å; Y43-P167 HydrophobicContact CE2-CB 3.84Å; Y43-P167 HydrophobicContact CE2-CG 3.97Å; Y43-P167 HydrophobicContact CG-CG 4.06Å; S125-P167 WeakPolarHBondContact CA-O 3.4Å; S125-P167 VanDerWaalsContact CB-O 3.26Å; S125-P167 WeakPolarHBondContact CB-O 3.47Å; F126-P167 PolarHBondContact N-O 2.85Å; F126-P167 VanDerWaalsContact N-O 3.16Å; P167-L169 HydrophobicContact CB-CD1 4.05Å; P167-D205 CarbonylContact C-O 3.5Å; P167-D205 WeakPolarHBondContact CA-O 3.48Å; P167-L285 HydrophobicContact CB-CD2 3.77Å; P167-F289 HydrophobicContact CB-CB 4.28Å; P167-F289 HydrophobicContact CB-CD1 4.42Å; P167-F289 HydrophobicContact CB-CD2 4.31Å; P167-F289 HydrophobicContact CB-CG 4.08Å; P167-F289 HydrophobicContact CG-CB 4.14Å; P167-F289 HydrophobicContact CG-CD1 4.21Å; P167-F289 HydrophobicContact CG-CD2 3.37Å; P167-F289 HydrophobicContact CG-CE1 4.5Å; P167-F289 HydrophobicContact CG-CE2 3.72Å; P167-F289 HydrophobicContact CG-CG 3.63Å; P167-F289 HydrophobicContact CG-CZ 4.27Å
168	K	95.3	Very high	89.3	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.5	-177.7	-64.8	166.2	-73.2	-69	0	108.4	F126 F155 L163 K166 F170 A204 D205 I206 L207	F126-K168 WeakPolarHBondContact O-CA 3.41Å; F155-K168 HydrophobicContact CB-CD 3.99Å; F155-K168 WeakPolarHBondContact O-CD 3.17Å; F155-K168 WeakPolarHBondContact O-CE 3.17Å; L163-K168 HydrophobicContact CB-CD 4.08Å; L163-K168 HydrophobicContact CB-CG 4.34Å; L163-K168 HydrophobicContact CD1-CD 4.38Å; L163-K168 HydrophobicContact CD1-CG 4.28Å; L163-K168 PolarHBondContact O-NZ 2.91Å; K166-K168 PolarHBondContact O-NZ 2.9Å; K168-F170 HydrophobicContact CB-CE2 3.94Å; K168-A204 VanDerWaalsContact CE-O 3.32Å; K168-A204 WeakPolarHBondContact CE-O 3.46Å; K168-A204 PolarHBondContact NZ-O 3.39Å; K168-D205 WeakPolarHBondContact CE-O 3.11Å; K168-D205 PolarHBondContact N-O 2.94Å; K168-D205 PolarHBondContact NZ-O 2.87Å; K168-I206 HydrophobicContact CB-CG1 4.41Å; K168-I206 WeakPolarHBondContact O-CA 3.43Å; K168-L207 PolarHBondContact O-N 2.81Å
169	L	96.9	Very high	89.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121	-167.4	-62.7	82.4	0	0	0	111.1	F126 I127 F128 P167 F171 L207 I248 F289 I291	F126-L169 PolarHBondContact O-N 2.97Å; I127-L169 WeakPolarHBondContact CA-O 3.48Å; I127-L169 HydrophobicContact CG1-CB 4.25Å; I127-L169 HydrophobicContact CG1-CD1 4.27Å; F128-L169 PolarHBondContact N-O 3.28Å; P167-L169 HydrophobicContact CB-CD1 4.05Å; L169-F171 HydrophobicContact CB-CD2 4.42Å; L169-F171 HydrophobicContact CB-CE2 3.66Å; L169-F171 HydrophobicContact CB-CZ 4.18Å; L169-F171 HydrophobicContact CD2-CE2 4.08Å; L169-F171 HydrophobicContact CD2-CZ 3.92Å; L169-L207 WeakPolarHBondContact CA-O 3.25Å; L169-I248 HydrophobicContact CD2-CD1 4.31Å; L169-I248 HydrophobicContact CD2-CG1 3.93Å; L169-F289 HydrophobicContact CD1-CD1 4.01Å; L169-F289 HydrophobicContact CD1-CE1 3.7Å; L169-F289 HydrophobicContact CD1-CZ 4.42Å; L169-F289 HydrophobicContact CD2-CD1 3.95Å; L169-F289 HydrophobicContact CD2-CE1 3.81Å; L169-F289 HydrophobicContact CG-CE1 4.42Å; L169-I291 HydrophobicContact CD2-CD1 4.13Å
170	F	94.4	Very high	88.9	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.4	179.6	-61.9	-92.8	0	0	0	110.4	F126 F128 I151 M152 F155 K168 F172 I206 L207 V208 A209	F126-F170 HydrophobicContact CE1-CE1 4.46Å; F128-F170 HydrophobicContact CB-CD1 3.67Å; F128-F170 HydrophobicContact CB-CE1 3.91Å; F128-F170 HydrophobicContact CD1-CD1 4.01Å; F128-F170 HydrophobicContact CG-CD1 4.09Å; F128-F170 HydrophobicContact CG-CE1 4.35Å; F128-F170 CarbonylContact O-C 3.59Å; F128-F170 WeakPolarHBondContact O-CA 3.29Å; I151-F170 HydrophobicContact CG2-CE1 4.42Å; M152-F170 HydrophobicContact CB-CE1 4.37Å; M152-F170 HydrophobicContact CB-CE2 4.4Å; M152-F170 HydrophobicContact CB-CZ 4.22Å; M152-F170 HydrophobicContact CG-CB 4.47Å; M152-F170 HydrophobicContact CG-CD1 3.72Å; M152-F170 HydrophobicContact CG-CD2 3.92Å; M152-F170 HydrophobicContact CG-CE1 3.86Å; M152-F170 HydrophobicContact CG-CE2 4.04Å; M152-F170 HydrophobicContact CG-CG 3.77Å; M152-F170 HydrophobicContact CG-CZ 4.02Å; M152-F170 HydrophobicContact SD-CB 4.42Å; M152-F170 HydrophobicContact SD-CD2 4.23Å; M152-F170 HydrophobicContact SD-CG 4.2Å; F155-F170 HydrophobicContact CB-CZ 4.2Å; F155-F170 AromaticContact CD2-CE1 3.88Å; F155-F170 HydrophobicContact CD2-CE1 3.88Å; F155-F170 AromaticContact CD2-CZ 3.68Å; F155-F170 HydrophobicContact CD2-CZ 3.68Å; F155-F170 HydrophobicContact CE2-CE1 4.29Å; F155-F170 HydrophobicContact CE2-CZ 4.5Å; F155-F170 HydrophobicContact CG-CZ 4.24Å; K168-F170 HydrophobicContact CB-CE2 3.94Å; F170-F172 HydrophobicContact CB-CD2 4.35Å; F170-F172 HydrophobicContact CB-CE2 3.73Å; F170-F172 HydrophobicContact CB-CZ 4.16Å; F170-F172 HydrophobicContact CD1-CZ 4.34Å; F170-I206 HydrophobicContact CD2-CG2 3.91Å; F170-I206 HydrophobicContact CE2-CG2 3.99Å; F170-L207 PolarHBondContact N-O 2.96Å; F170-V208 HydrophobicContact CB-CG1 4.21Å; F170-V208 CarbonylContact O-C 3.6Å; F170-V208 WeakPolarHBondContact O-CA 3.31Å; F170-A209 PolarHBondContact O-N 3.16Å
171	F	97.2	Very high	88.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.8	179.3	-60.2	-87.3	0	0	0	110	F90 I127 F128 V129 M130 L169 A209 F228 L232 I248 L252	F90-F171 HydrophobicContact CZ-CE2 4.26Å; I127-F171 HydrophobicContact CG2-CD2 4.05Å; I127-F171 HydrophobicContact CG2-CE2 3.93Å; F128-F171 PolarHBondContact O-N 2.87Å; V129-F171 WeakPolarHBondContact CA-O 3.43Å; V129-F171 HydrophobicContact CB-CB 4.47Å; V129-F171 HydrophobicContact CG1-CB 4.22Å; V129-F171 HydrophobicContact CG2-CB 4.17Å; V129-F171 HydrophobicContact CG2-CD2 4.03Å; V129-F171 HydrophobicContact CG2-CG 4.48Å; M130-F171 PolarHBondContact N-O 3.37Å; L169-F171 HydrophobicContact CB-CD2 4.42Å; L169-F171 HydrophobicContact CB-CE2 3.66Å; L169-F171 HydrophobicContact CB-CZ 4.18Å; L169-F171 HydrophobicContact CD2-CE2 4.08Å; L169-F171 HydrophobicContact CD2-CZ 3.92Å; F171-A209 WeakPolarHBondContact CA-O 3.35Å; F171-A209 HydrophobicContact CD1-CB 3.77Å; F171-A209 HydrophobicContact CE1-CB 4.06Å; F171-F228 HydrophobicContact CD1-CZ 4.27Å; F171-L232 HydrophobicContact CD1-CD1 4.31Å; F171-L232 HydrophobicContact CD1-CD2 3.44Å; F171-L232 VanDerWaalsContact CD1-CD2 3.44Å; F171-L232 HydrophobicContact CE1-CD1 3.77Å; F171-L232 HydrophobicContact CE1-CD2 3.7Å; F171-L232 HydrophobicContact CE1-CG 4.4Å; F171-L232 HydrophobicContact CG-CD2 4.04Å; F171-L232 HydrophobicContact CZ-CD1 4.47Å; F171-L232 HydrophobicContact CZ-CD2 4.48Å; F171-I248 HydrophobicContact CZ-CD1 4.47Å; F171-L252 HydrophobicContact CE1-CD2 4.4Å
172	F	92.6	Very high	87.7	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	108.4	-176.6	-67.1	-65	0	0	0	110.8	F128 M130 I139 T148 I151 M152 F170 V208 A209 Y210 S211	F128-F172 HydrophobicContact CD1-CE1 4.23Å; F128-F172 AromaticContact CE1-CE1 3.95Å; F128-F172 HydrophobicContact CE1-CE1 3.95Å; M130-F172 HydrophobicContact CB-CD1 4.2Å; M130-F172 HydrophobicContact CB-CE1 4.39Å; I139-F172 HydrophobicContact CD1-CD1 3.7Å; I139-F172 HydrophobicContact CD1-CE1 4.39Å; T148-F172 HydrophobicContact CG2-CD1 4.08Å; T148-F172 HydrophobicContact CG2-CD2 4.21Å; T148-F172 HydrophobicContact CG2-CE1 3.97Å; T148-F172 HydrophobicContact CG2-CE2 4.11Å; T148-F172 HydrophobicContact CG2-CG 4.2Å; T148-F172 HydrophobicContact CG2-CZ 4Å; I151-F172 HydrophobicContact CD1-CE1 4.14Å; M152-F172 HydrophobicContact CG-CE2 4.48Å; M152-F172 HydrophobicContact SD-CE2 4.21Å; F170-F172 HydrophobicContact CB-CD2 4.35Å; F170-F172 HydrophobicContact CB-CE2 3.73Å; F170-F172 HydrophobicContact CB-CZ 4.16Å; F170-F172 HydrophobicContact CD1-CZ 4.34Å; F172-V208 HydrophobicContact CD2-CG1 3.72Å; F172-V208 HydrophobicContact CE2-CG1 3.79Å; F172-A209 PolarHBondContact N-O 2.97Å; F172-Y210 HydrophobicContact CB-CD1 3.85Å; F172-Y210 HydrophobicContact CB-CE1 4.15Å; F172-Y210 HydrophobicContact CD2-CD1 4.17Å; F172-Y210 AromaticContact CD2-CE1 3.73Å; F172-Y210 HydrophobicContact CD2-CE1 3.73Å; F172-Y210 HydrophobicContact CG-CD1 4.42Å; F172-Y210 HydrophobicContact CG-CE1 4.24Å; F172-S211 PolarHBondContact O-N 3.13Å; F172-S211 PolarHBondContact O-OG 2.87Å
173	Q	96	Very high	86.1	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	91.6	170.5	171.7	55.3	58	0	0	109.1	M130 L131 S132 S211 S226 F228 I229	M130-Q173 PolarHBondContact O-N 3.38Å; L131-Q173 HydrophobicContact CD2-CB 3.71Å; L131-Q173 HydrophobicContact CD2-CG 4.27Å; S132-Q173 PolarHBondContact N-O 2.95Å; S132-Q173 VanDerWaalsContact O-O 3.04Å; Q173-S211 WeakPolarHBondContact CA-OG 3.36Å; Q173-S226 VanDerWaalsContact CD-CB 3.48Å; Q173-S226 WeakPolarHBondContact CG-OG 3.47Å; Q173-S226 PolarHBondContact OE1-OG 3.15Å; Q173-F228 HydrophobicContact CB-CD1 4.46Å; Q173-I229 HydrophobicContact CB-CD1 3.99Å; Q173-I229 HydrophobicContact CB-CG1 3.82Å; Q173-I229 HydrophobicContact CG-CG1 3.95Å
174	A	91.7	Very high	84.3	Confident	8 Å²	8	35.4 Å²	35.4	7%	0.066	21%	0.212	C	C	.	.	S	Bend	trans	-155.3	159.4	179.7	0	0	0	0	0	110.1	I139 S211 A218	I139-A174 HydrophobicContact CD1-CB 4.07Å; I139-A174 HydrophobicContact CG1-CB 4.19Å; A174-S211 PolarHBondContact N-OG 3.16Å; A174-S211 VanDerWaalsContact N-OG 3.15Å; A174-S211 PolarHBondContact O-OG 3.01Å; A174-A218 VanDerWaalsContact O-CB 3.25Å; A174-A218 WeakPolarHBondContact O-CB 3.49Å
175	C	85.2	Confident	81.8	Confident	23 Å²	23	37.6 Å²	37.6	16%	0.155	24%	0.235	C	C	.	.			trans	-67.4	160.8	167	-55.8	0	0	0	0	110.1	G134 D135 F217 A218	G134-C175 CarbonylContact C-O 3.6Å; G134-C175 CarbonylContact O-C 3.26Å; G134-C175 WeakPolarHBondContact O-CB 3.21Å; D135-C175 PolarHBondContact N-O 3.24Å; C175-F217 HydrophobicContact CB-CD1 4.46Å; C175-A218 PolarHBondContact SG-N 2.98Å; C175-A218 VanDerWaalsContact SG-N 3.44Å
176	R	81.5	Confident	79.3	Confident	17 Å²	17	42.9 Å²	42.9	6%	0.064	27%	0.265	C	S	.	.			trans	-128.2	25.8	174.1	-60.7	180	78	179.1	5.8	111.8	N136 N137 T212 G215 F216	N136-R176 PolarHBondContact ND2-O 3.01Å; N136-R176 PolarHBondContact OD1-O 3.1Å; N136-R176 VanDerWaalsContact OD1-O 3.07Å; N137-R176 PolarHBondContact OD1-NH2 3.23Å; R176-T212 HydrophobicContact CB-CG2 4.06Å; R176-T212 WeakPolarHBondContact CD-O 3.29Å; R176-T212 HydrophobicContact CG-CG2 3.84Å; R176-T212 PolarHBondContact NH1-O 2.93Å; R176-G215 CarbonylContact O-C 3.58Å; R176-G215 WeakPolarHBondContact O-CA 3.29Å; R176-G215 PolarHBondContact O-N 3.03Å; R176-F216 PolarHBondContact N-O 2.8Å
177	G	77.5	Confident	76.6	Confident	9 Å²	9	51 Å²	51	9%	0.093	31%	0.306	C	S	.	.	S	Bend	trans	143.9	-176.7	-176.4	0	0	0	0	0	111.4	D135 G215 F216	D135-G177 VanDerWaalsContact OD1-CA 3.23Å; D135-G177 WeakPolarHBondContact OD1-CA 3.32Å; D135-G177 PolarHBondContact OD1-N 3.39Å; G177-G215 CarbonylContact C-O 3.58Å; G177-G215 VanDerWaalsContact C-O 3.26Å; G177-G215 WeakPolarHBondContact CA-O 3.32Å; G177-F216 CarbonylContact O-C 3.57Å
178	A	82.3	Confident	73.4	Confident	79 Å²	79	56.8 Å²	56.8	65%	0.653	34%	0.341	S	S	*	.	S	Bend	trans	-111.5	16.6	-171.4	0	0	0	0	0	114.4	G215 F217	A178-G215 PolarHBondContact N-O 3.12Å; A178-F217 HydrophobicContact CB-CE2 4.27Å; A178-F217 HydrophobicContact CB-CZ 4.05Å; A178-F217 WeakPolarHBondContact O-CE2 3.29Å
179	A	77.9	Confident	70.3	Confident	43 Å²	43	63.3 Å²	63.3	36%	0.355	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-83.3	140	172	0	0	0	0	0	111.5	G215 F216 F217	A179-G215 VanDerWaalsContact CB-O 3.29Å; A179-G215 WeakPolarHBondContact CB-O 3.36Å; A179-G215 PolarHBondContact N-O 2.73Å; A179-F216 HydrophobicContact CB-CD1 3.71Å; A179-F216 HydrophobicContact CB-CE1 3.82Å; A179-F216 HydrophobicContact CB-CG 4.35Å; A179-F216 WeakPolarHBondContact O-CA 3.44Å; A179-F216 WeakPolarHBondContact O-CD1 3.14Å; A179-F217 WeakPolarHBondContact O-CD2 3.36Å; A179-F217 PolarHBondContact O-N 2.69Å; A179-F217 VanDerWaalsContact O-N 3.11Å
180	F	79.2	Confident	67	Low	65 Å²	65	70.5 Å²	70.5	29%	0.285	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-90.2	128.5	166.2	-63.3	-66.9	0	0	0	110	K182 F217 W219 T272 M275	F180-K182 PolarHBondContact O-N 2.83Å; F180-F217 AromaticContact CD1-CD2 3.38Å; F180-F217 HydrophobicContact CD1-CD2 3.38Å; F180-F217 AromaticContact CD1-CE2 3.82Å; F180-F217 HydrophobicContact CD1-CE2 3.82Å; F180-F217 HydrophobicContact CD1-CG 4.27Å; F180-F217 HydrophobicContact CD2-CE2 4.28Å; F180-F217 AromaticContact CE1-CD2 3.24Å; F180-F217 HydrophobicContact CE1-CD2 3.24Å; F180-F217 AromaticContact CE1-CE2 3.35Å; F180-F217 HydrophobicContact CE1-CE2 3.35Å; F180-F217 HydrophobicContact CE1-CG 4Å; F180-F217 HydrophobicContact CE1-CZ 4.21Å; F180-F217 HydrophobicContact CE2-CD2 4.41Å; F180-F217 AromaticContact CE2-CE2 3.85Å; F180-F217 HydrophobicContact CE2-CE2 3.85Å; F180-F217 HydrophobicContact CG-CD2 4.06Å; F180-F217 HydrophobicContact CG-CE2 4.26Å; F180-F217 AromaticContact CZ-CD2 3.8Å; F180-F217 HydrophobicContact CZ-CD2 3.8Å; F180-F217 AromaticContact CZ-CE2 3.36Å; F180-F217 HydrophobicContact CZ-CE2 3.36Å; F180-F217 HydrophobicContact CZ-CZ 4.04Å; F180-W219 AromaticContact CD1-CH2 3.93Å; F180-W219 HydrophobicContact CD1-CH2 3.93Å; F180-W219 AromaticContact CD1-CZ2 3.62Å; F180-W219 HydrophobicContact CD1-CZ2 3.62Å; F180-W219 AromaticContact CE1-CH2 3.77Å; F180-W219 HydrophobicContact CE1-CH2 3.77Å; F180-W219 AromaticContact CE1-CZ2 3.9Å; F180-W219 HydrophobicContact CE1-CZ2 3.9Å; F180-T272 HydrophobicContact CE1-CG2 4.09Å; F180-T272 HydrophobicContact CE2-CG2 3.74Å; F180-T272 HydrophobicContact CZ-CG2 3.47Å; F180-T272 VanDerWaalsContact CZ-CG2 3.47Å; F180-M275 HydrophobicContact CB-CG 4Å; F180-M275 HydrophobicContact CB-SD 3.74Å; F180-M275 HydrophobicContact CD1-CG 4.41Å; F180-M275 HydrophobicContact CG-CG 4.38Å
181	D	77.2	Confident	63.8	Low	30 Å²	30	75.5 Å²	75.5	16%	0.16	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-77.9	116	177.3	-177.8	13.9	0	0	0	110.3	G183 F216 K276	D181-G183 WeakPolarHBondContact OD1-CA 3.49Å; D181-G183 PolarHBondContact OD1-N 3.08Å; D181-F216 HydrophobicContact CB-CD1 3.7Å; D181-F216 HydrophobicContact CB-CE1 3.88Å; D181-F216 HydrophobicContact CB-CG 4.47Å; D181-K276 HydrophobicContact CB-CB 4.29Å; D181-K276 PolarHBondContact O-N 2.74Å
182	K	77.7	Confident	60.7	Low	176 Å²	176	79.2 Å²	79.2	77%	0.765	50%	0.499	S	S	*	.			trans	-91.4	-9.1	177	-62.4	-176.4	179.8	-177.5	0	112.8	F180 M275	F180-K182 PolarHBondContact O-N 2.83Å; K182-M275 HydrophobicContact CG-SD 4.04Å
183	G	60.3	Low	58.2	Low	38 Å²	38	88.4 Å²	88.4	39%	0.392	54%	0.542	S	S	.	.			trans	77.2	140.7	-170.6	0	0	0	0	0	113.4	D181	D181-G183 WeakPolarHBondContact OD1-CA 3.49Å; D181-G183 PolarHBondContact OD1-N 3.08Å
184	V	52.9	Low	55.3	Low	141 Å²	141	94.9 Å²	94.9	86%	0.855	58%	0.577	S	S	*	*			trans	-144.4	167.6	173.7	-67.8	0	0	0	0	110.2
185	S	34.3	Very low	52.9	Low	124 Å²	124	101.6 Å²	101.6	87%	0.867	61%	0.611	S	S	*	*			trans	-120	119.6	-178.6	-176	0	0	0	0	111.2
186	T	32.4	Very low	50.8	Low	124 Å²	124	107 Å²	107	76%	0.761	64%	0.637	S	S	*	*			trans	-152	165.8	-177.3	50.5	0	0	0	0	112.2
187	M	32.1	Very low	49	Very low	186 Å²	186	110.2 Å²	110.2	92%	0.916	66%	0.658	S	S	*	*			trans	-119.2	-176.9	-172.1	-69.4	-76	-82.3	0	0	113.5
188	V	26.4	Very low	47.1	Very low	121 Å²	121	117.5 Å²	117.5	73%	0.733	69%	0.689	S	S	*	*			trans	-124.6	159	-158.2	-152.7	0	0	0	0	112.9
189	T	31.4	Very low	45.5	Very low	140 Å²	140	122.6 Å²	122.6	86%	0.859	70%	0.697	S	S	*	*			trans	-166.2	164.3	154.1	19.9	0	0	0	0	113.5
190	D	26	Very low	44.5	Very low	151 Å²	151	122.7 Å²	122.7	81%	0.807	69%	0.691	S	S	*	*			trans	-127.3	-167	-166.8	-48.3	-95.1	0	0	0	111.5
191	A	28.6	Very low	43.9	Very low	105 Å²	105	123.7 Å²	123.7	87%	0.868	70%	0.704	S	S	*	*			cis	-163.3	-177	8	0	0	0	0	0	111.8
192	G	31.1	Very low	43.6	Very low	77 Å²	77	126.8 Å²	126.8	79%	0.794	72%	0.719	S	S	*	*			trans	113.9	155.5	165.7	0	0	0	0	0	116.1
193	E	41.1	Very low	43.4	Very low	195 Å²	195	122 Å²	122	91%	0.911	70%	0.7	S	S	*	*			cis	-158.2	-176.3	-9.5	-154.1	169.5	-126.9	0	0	109.8
194	D	35.1	Very low	44.2	Very low	140 Å²	140	120.4 Å²	120.4	75%	0.749	68%	0.683	S	S	*	*			trans	-82	161.9	-158.1	-66.5	-45.3	0	0	0	119.8
195	L	41.5	Very low	45.9	Very low	150 Å²	150	113.8 Å²	113.8	79%	0.785	64%	0.643	S	S	*	*			trans	-157.9	154.6	168.3	-160.3	74.4	0	0	0	115.1
196	I	40.1	Very low	48.2	Very low	136 Å²	136	108.4 Å²	108.4	70%	0.697	61%	0.605	S	S	*	*			trans	-93.7	134.6	167.4	-62.5	171.4	0	0	0	111.2
197	V	43	Very low	51.1	Low	84 Å²	84	102.5 Å²	102.5	51%	0.509	57%	0.568	S	S	.	*			trans	-107.3	89.6	-168.7	-174.2	0	0	0	0	112.9	K199 L200	V197-K199 VanDerWaalsContact CG1-O 3.27Å; V197-K199 WeakPolarHBondContact CG1-O 3.41Å; V197-L200 HydrophobicContact CG1-CD2 4.29Å
198	H	38.7	Very low	53.7	Low	163 Å²	163	94.2 Å²	94.2	76%	0.755	53%	0.528	S	S	*	.	S	Bend	trans	-74.3	-23.1	173.2	-73.9	-75.5	0	0	0	114.4
199	K	47.7	Very low	56.9	Low	186 Å²	186	88.4 Å²	88.4	81%	0.809	49%	0.493	S	S	*	.	S	Bend	trans	-143.4	135	172.5	-71.3	-175.7	176.8	-178.9	0	107.5	V197	V197-K199 VanDerWaalsContact CG1-O 3.27Å; V197-K199 WeakPolarHBondContact CG1-O 3.41Å
200	L	57.3	Low	59.5	Low	45 Å²	45	82.7 Å²	82.7	24%	0.236	46%	0.456	C	S	.	.			trans	-60.4	138.3	166.2	-72.4	172.5	0	0	0	109.3	L29 I164 A165 V197 A204 T286	L29-L200 HydrophobicContact CD2-CD1 4.32Å; L29-L200 HydrophobicContact CD2-CD2 4.36Å; I164-L200 HydrophobicContact CG2-CD1 4.07Å; A165-L200 HydrophobicContact CB-CD1 4.14Å; V197-L200 HydrophobicContact CG1-CD2 4.29Å; L200-A204 HydrophobicContact CB-CB 4.07Å; L200-A204 HydrophobicContact CD2-CB 4.26Å; L200-T286 HydrophobicContact CD2-CG2 4.17Å
201	P	66.4	Low	62.6	Low	85 Å²	85	75.5 Å²	75.5	55%	0.552	42%	0.417	S	S	*	.			trans	-52.3	146.5	165.6	-27.1	34.6	0	0	0	111.4	E203 A204	P201-E203 PolarHBondContact O-N 3.35Å; P201-E203 VanDerWaalsContact O-N 3.13Å; P201-A204 HydrophobicContact CB-CB 4.32Å; P201-A204 WeakPolarHBondContact O-CB 3.4Å; P201-A204 PolarHBondContact O-N 2.85Å
202	I	71.3	Confident	65.4	Low	95 Å²	95	70.6 Å²	70.6	49%	0.487	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.3	-179.6	-67.9	174.5	0	0	0	112	R156 G157 D158	R156-I202 HydrophobicContact CB-CG2 3.73Å; R156-I202 HydrophobicContact CG-CG2 3.96Å; G157-I202 PolarHBondContact N-O 3.42Å; D158-I202 HydrophobicContact CB-CG2 4.47Å; D158-I202 VanDerWaalsContact OD1-CG2 3.24Å; D158-I202 WeakPolarHBondContact OD1-CG2 3.41Å
203	E	73.5	Confident	67.7	Low	75 Å²	75	68.6 Å²	68.6	35%	0.35	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	11.1	176.9	-57.5	-77.5	-137.5	0	0	113.6	R156 P201 I206 T284	R156-E203 VanDerWaalsContact CG-OE2 3.24Å; R156-E203 WeakPolarHBondContact CG-OE2 3.34Å; R156-E203 IonicContact CZ-OE1 3.17Å; R156-E203 IonicContact CZ-OE2 2.73Å; R156-E203 IonicContact NE-OE1 2.67Å; R156-E203 PolarHBondContact NE-OE1 3.44Å; R156-E203 IonicContact NE-OE2 3.63Å; R156-E203 PolarHBondContact NE-OE2 3.27Å; R156-E203 IonicContact NH2-OE1 2.78Å; R156-E203 PolarHBondContact NH2-OE1 3.24Å; R156-E203 IonicContact NH2-OE2 3.36Å; P201-E203 PolarHBondContact O-N 3.35Å; P201-E203 VanDerWaalsContact O-N 3.13Å; E203-I206 HydrophobicContact CB-CD1 4.38Å; E203-T284 WeakPolarHBondContact O-CB 3.35Å; E203-T284 PolarHBondContact O-OG1 3.49Å
204	A	78.4	Confident	69.3	Low	6 Å²	6	62.7 Å²	62.7	5%	0.05	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	153	-177.3	0	0	0	0	0	113.1	K168 L200 P201 I206	K168-A204 VanDerWaalsContact CE-O 3.32Å; K168-A204 WeakPolarHBondContact CE-O 3.46Å; K168-A204 PolarHBondContact NZ-O 3.39Å; L200-A204 HydrophobicContact CB-CB 4.07Å; L200-A204 HydrophobicContact CD2-CB 4.26Å; P201-A204 HydrophobicContact CB-CB 4.32Å; P201-A204 WeakPolarHBondContact O-CB 3.4Å; P201-A204 PolarHBondContact O-N 2.85Å; A204-I206 VanDerWaalsContact C-N 3.31Å; A204-I206 PolarHBondContact O-N 3.13Å
205	D	86.7	Confident	71.3	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.011	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	39.9	177.6	-39.1	-52	0	0	0	112.6	Y43 A165 K166 P167 K168 T284 T286	Y43-D205 HydrophobicContact CE1-CB 4.1Å; Y43-D205 WeakPolarHBondContact OH-CB 3.49Å; Y43-D205 PolarHBondContact OH-OD1 3.15Å; A165-D205 VanDerWaalsContact CA-OD2 3.22Å; A165-D205 WeakPolarHBondContact CA-OD2 3.31Å; A165-D205 PolarHBondContact N-OD2 3.25Å; K166-D205 VanDerWaalsContact O-CB 3.27Å; K166-D205 WeakPolarHBondContact O-CB 3.33Å; P167-D205 CarbonylContact C-O 3.5Å; P167-D205 WeakPolarHBondContact CA-O 3.48Å; K168-D205 WeakPolarHBondContact CE-O 3.11Å; K168-D205 PolarHBondContact N-O 2.94Å; K168-D205 PolarHBondContact NZ-O 2.87Å; D205-T284 PolarHBondContact N-O 2.83Å; D205-T286 WeakPolarHBondContact OD1-CB 3.33Å; D205-T286 WeakPolarHBondContact OD1-CG2 3.5Å; D205-T286 PolarHBondContact OD1-N 2.82Å; D205-T286 PolarHBondContact OD1-OG1 2.91Å
206	I	83.8	Confident	73.2	Confident	11 Å²	11	52.8 Å²	52.8	6%	0.056	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.7	172.2	-60.1	176.3	0	0	0	109.2	K168 F170 E203 A204 V208 T284	K168-I206 HydrophobicContact CB-CG1 4.41Å; K168-I206 WeakPolarHBondContact O-CA 3.43Å; F170-I206 HydrophobicContact CD2-CG2 3.91Å; F170-I206 HydrophobicContact CE2-CG2 3.99Å; E203-I206 HydrophobicContact CB-CD1 4.38Å; A204-I206 VanDerWaalsContact C-N 3.31Å; A204-I206 PolarHBondContact O-N 3.13Å; I206-V208 HydrophobicContact CG2-CG2 3.78Å; I206-T284 WeakPolarHBondContact CB-OG1 3.44Å; I206-T284 PolarHBondContact N-OG1 3.45Å; I206-T284 PolarHBondContact O-N 2.8Å; I206-T284 PolarHBondContact O-OG1 3.39Å
207	L	93	Very high	75.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.3	166	179.8	154.6	0	0	0	108.8	K168 L169 F170 A209 I248 M249 L252 T281 L285	K168-L207 PolarHBondContact O-N 2.81Å; L169-L207 WeakPolarHBondContact CA-O 3.25Å; F170-L207 PolarHBondContact N-O 2.96Å; L207-A209 HydrophobicContact CD2-CB 4.15Å; L207-I248 HydrophobicContact CD1-CG1 4.1Å; L207-I248 HydrophobicContact CD1-CG2 3.65Å; L207-M249 HydrophobicContact CD1-CG 4.49Å; L207-M249 HydrophobicContact CD1-SD 3.65Å; L207-L252 HydrophobicContact CD1-CD1 4Å; L207-L252 HydrophobicContact CD2-CD1 3.82Å; L207-L252 HydrophobicContact CG-CD1 4.45Å; L207-T281 HydrophobicContact CD1-CG2 4.47Å; L207-T281 HydrophobicContact CD2-CG2 4.38Å; L207-T281 HydrophobicContact CG-CG2 4.2Å; L207-L285 HydrophobicContact CB-CD1 4.14Å; L207-L285 HydrophobicContact CB-CD2 4.17Å; L207-L285 HydrophobicContact CB-CG 4.1Å; L207-L285 HydrophobicContact CD1-CD1 3.76Å
208	V	87.4	Confident	77.1	Confident	11 Å²	11	46.1 Å²	46.1	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	113.4	178.6	-161.5	0	0	0	0	109.3	M152 F170 F172 I206 Y210 T281 V282	M152-V208 HydrophobicContact CE-CG2 4.41Å; M152-V208 HydrophobicContact SD-CB 4.33Å; M152-V208 HydrophobicContact SD-CG1 3.95Å; M152-V208 HydrophobicContact SD-CG2 3.38Å; M152-V208 WeakPolarHBondContact SD-CG2 3.46Å; F170-V208 HydrophobicContact CB-CG1 4.21Å; F170-V208 CarbonylContact O-C 3.6Å; F170-V208 WeakPolarHBondContact O-CA 3.31Å; F172-V208 HydrophobicContact CD2-CG1 3.72Å; F172-V208 HydrophobicContact CE2-CG1 3.79Å; I206-V208 HydrophobicContact CG2-CG2 3.78Å; V208-Y210 HydrophobicContact CB-CE2 4.08Å; V208-Y210 HydrophobicContact CG1-CD2 3.98Å; V208-Y210 HydrophobicContact CG1-CE1 4.37Å; V208-Y210 HydrophobicContact CG1-CE2 3.36Å; V208-T281 CarbonylContact O-C 3.57Å; V208-T281 WeakPolarHBondContact O-CA 3.49Å; V208-V282 PolarHBondContact N-O 3.27Å; V208-V282 PolarHBondContact O-N 3.34Å
209	A	91.9	Very high	79.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	109.4	176.9	0	0	0	0	0	109.7	F170 F171 F172 L207 F228 L252	F170-A209 PolarHBondContact O-N 3.16Å; F171-A209 WeakPolarHBondContact CA-O 3.35Å; F171-A209 HydrophobicContact CD1-CB 3.77Å; F171-A209 HydrophobicContact CE1-CB 4.06Å; F172-A209 PolarHBondContact N-O 2.97Å; L207-A209 HydrophobicContact CD2-CB 4.15Å; A209-F228 HydrophobicContact CB-CE2 4.42Å; A209-F228 HydrophobicContact CB-CZ 3.91Å; A209-L252 HydrophobicContact CB-CD1 4.14Å; A209-L252 HydrophobicContact CB-CD2 3.98Å
210	Y	87.4	Confident	81.5	Confident	19 Å²	19	34.6 Å²	34.6	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	139	173.9	-64.7	-86.4	0	0	0	110.4	T148 F172 V208 T212 S280	T148-Y210 HydrophobicContact CG2-CE1 4.33Å; T148-Y210 PolarHBondContact OG1-OH 2.84Å; F172-Y210 HydrophobicContact CB-CD1 3.85Å; F172-Y210 HydrophobicContact CB-CE1 4.15Å; F172-Y210 HydrophobicContact CD2-CD1 4.17Å; F172-Y210 AromaticContact CD2-CE1 3.73Å; F172-Y210 HydrophobicContact CD2-CE1 3.73Å; F172-Y210 HydrophobicContact CG-CD1 4.42Å; F172-Y210 HydrophobicContact CG-CE1 4.24Å; V208-Y210 HydrophobicContact CB-CE2 4.08Å; V208-Y210 HydrophobicContact CG1-CD2 3.98Å; V208-Y210 HydrophobicContact CG1-CE1 4.37Å; V208-Y210 HydrophobicContact CG1-CE2 3.36Å; Y210-T212 WeakPolarHBondContact CB-O 3.39Å; Y210-T212 PolarHBondContact O-N 3.34Å; Y210-T212 VanDerWaalsContact O-N 3.16Å; Y210-S280 PolarHBondContact N-O 3.06Å; Y210-S280 PolarHBondContact O-N 3.29Å
211	S	90.1	Very high	82.9	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	19%	0.191	C	C	.	.	S	Bend	trans	-57.5	-28	174.5	47.6	0	0	0	0	114	F172 Q173 A174 A218 Q277	F172-S211 PolarHBondContact O-N 3.13Å; F172-S211 PolarHBondContact O-OG 2.87Å; Q173-S211 WeakPolarHBondContact CA-OG 3.36Å; A174-S211 PolarHBondContact N-OG 3.16Å; A174-S211 VanDerWaalsContact N-OG 3.15Å; A174-S211 PolarHBondContact O-OG 3.01Å; S211-A218 WeakPolarHBondContact OG-CB 3.43Å; S211-Q277 PolarHBondContact O-NE2 2.83Å
212	T	87.3	Confident	83.6	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.192	C	C	.	.	S	Bend	trans	-143.5	162.9	-176.7	-161.8	0	0	0	0	112.3	R176 Y210 F216 F217 A218 M278	R176-T212 HydrophobicContact CB-CG2 4.06Å; R176-T212 WeakPolarHBondContact CD-O 3.29Å; R176-T212 HydrophobicContact CG-CG2 3.84Å; R176-T212 PolarHBondContact NH1-O 2.93Å; Y210-T212 WeakPolarHBondContact CB-O 3.39Å; Y210-T212 PolarHBondContact O-N 3.34Å; Y210-T212 VanDerWaalsContact O-N 3.16Å; T212-F216 VanDerWaalsContact CG2-O 3.29Å; T212-F216 WeakPolarHBondContact CG2-O 3.49Å; T212-F217 VanDerWaalsContact CB-O 3.32Å; T212-F217 WeakPolarHBondContact CB-O 3.34Å; T212-F217 PolarHBondContact OG1-O 3.05Å; T212-A218 HydrophobicContact CG2-CB 3.92Å; T212-M278 CarbonylContact C-O 3.6Å; T212-M278 VanDerWaalsContact CA-O 3.29Å; T212-M278 WeakPolarHBondContact CA-O 3.38Å
213	V	81	Confident	84.3	Confident	36 Å²	36	35.6 Å²	35.6	22%	0.218	20%	0.201	C	C	.	.			trans	-74.5	156.5	172.8	-82.6	0	0	0	0	112.1	G215 F216 M278	V213-G215 PolarHBondContact O-N 3.37Å; V213-F216 HydrophobicContact CB-CD2 4.4Å; V213-F216 HydrophobicContact CG2-CB 4.48Å; V213-F216 HydrophobicContact CG2-CD2 3.59Å; V213-F216 HydrophobicContact CG2-CE2 4.14Å; V213-F216 HydrophobicContact CG2-CG 4.25Å; V213-F216 PolarHBondContact O-N 2.96Å; V213-M278 HydrophobicContact CG2-CB 4.42Å; V213-M278 PolarHBondContact N-O 2.92Å; V213-M278 VanDerWaalsContact N-O 3.08Å
214	P	74.3	Confident	85.1	Confident	70 Å²	70	35.1 Å²	35.1	46%	0.455	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	137.4	177.5	-24.7	34.1	0	0	0	113.1	N136 F216	N136-P214 WeakPolarHBondContact OD1-CB 3.34Å; P214-F216 VanDerWaalsContact O-CD2 3.23Å; P214-F216 WeakPolarHBondContact O-CD2 3.36Å
215	G	76	Confident	85.7	Confident	23 Å²	23	34.9 Å²	34.9	24%	0.237	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	-17.9	-179.3	0	0	0	0	0	115.8	N136 R176 G177 A178 A179 V213	N136-G215 PolarHBondContact OD1-N 3.49Å; R176-G215 CarbonylContact O-C 3.58Å; R176-G215 WeakPolarHBondContact O-CA 3.29Å; R176-G215 PolarHBondContact O-N 3.03Å; G177-G215 CarbonylContact C-O 3.58Å; G177-G215 VanDerWaalsContact C-O 3.26Å; G177-G215 WeakPolarHBondContact CA-O 3.32Å; A178-G215 PolarHBondContact N-O 3.12Å; A179-G215 VanDerWaalsContact CB-O 3.29Å; A179-G215 WeakPolarHBondContact CB-O 3.36Å; A179-G215 PolarHBondContact N-O 2.73Å; V213-G215 PolarHBondContact O-N 3.37Å
216	F	82.6	Confident	86.1	Confident	59 Å²	59	34.8 Å²	34.8	26%	0.259	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-109.8	159.2	-166.6	-64.7	-87.5	0	0	0	115	R176 G177 A179 D181 T212 V213 P214	R176-F216 PolarHBondContact N-O 2.8Å; G177-F216 CarbonylContact O-C 3.57Å; A179-F216 HydrophobicContact CB-CD1 3.71Å; A179-F216 HydrophobicContact CB-CE1 3.82Å; A179-F216 HydrophobicContact CB-CG 4.35Å; A179-F216 WeakPolarHBondContact O-CA 3.44Å; A179-F216 WeakPolarHBondContact O-CD1 3.14Å; D181-F216 HydrophobicContact CB-CD1 3.7Å; D181-F216 HydrophobicContact CB-CE1 3.88Å; D181-F216 HydrophobicContact CB-CG 4.47Å; T212-F216 VanDerWaalsContact CG2-O 3.29Å; T212-F216 WeakPolarHBondContact CG2-O 3.49Å; V213-F216 HydrophobicContact CB-CD2 4.4Å; V213-F216 HydrophobicContact CG2-CB 4.48Å; V213-F216 HydrophobicContact CG2-CD2 3.59Å; V213-F216 HydrophobicContact CG2-CE2 4.14Å; V213-F216 HydrophobicContact CG2-CG 4.25Å; V213-F216 PolarHBondContact O-N 2.96Å; P214-F216 VanDerWaalsContact O-CD2 3.23Å; P214-F216 WeakPolarHBondContact O-CD2 3.36Å
217	F	83.2	Confident	86.6	Confident	66 Å²	66	35.3 Å²	35.3	29%	0.289	20%	0.204	S	C	.	.			trans	-64.8	159.5	168.4	-74.9	-76	0	0	0	112.7	C175 A178 A179 F180 T212	C175-F217 HydrophobicContact CB-CD1 4.46Å; A178-F217 HydrophobicContact CB-CE2 4.27Å; A178-F217 HydrophobicContact CB-CZ 4.05Å; A178-F217 WeakPolarHBondContact O-CE2 3.29Å; A179-F217 WeakPolarHBondContact O-CD2 3.36Å; A179-F217 PolarHBondContact O-N 2.69Å; A179-F217 VanDerWaalsContact O-N 3.11Å; F180-F217 AromaticContact CD1-CD2 3.38Å; F180-F217 HydrophobicContact CD1-CD2 3.38Å; F180-F217 AromaticContact CD1-CE2 3.82Å; F180-F217 HydrophobicContact CD1-CE2 3.82Å; F180-F217 HydrophobicContact CD1-CG 4.27Å; F180-F217 HydrophobicContact CD2-CE2 4.28Å; F180-F217 AromaticContact CE1-CD2 3.24Å; F180-F217 HydrophobicContact CE1-CD2 3.24Å; F180-F217 AromaticContact CE1-CE2 3.35Å; F180-F217 HydrophobicContact CE1-CE2 3.35Å; F180-F217 HydrophobicContact CE1-CG 4Å; F180-F217 HydrophobicContact CE1-CZ 4.21Å; F180-F217 HydrophobicContact CE2-CD2 4.41Å; F180-F217 AromaticContact CE2-CE2 3.85Å; F180-F217 HydrophobicContact CE2-CE2 3.85Å; F180-F217 HydrophobicContact CG-CD2 4.06Å; F180-F217 HydrophobicContact CG-CE2 4.26Å; F180-F217 AromaticContact CZ-CD2 3.8Å; F180-F217 HydrophobicContact CZ-CD2 3.8Å; F180-F217 AromaticContact CZ-CE2 3.36Å; F180-F217 HydrophobicContact CZ-CE2 3.36Å; F180-F217 HydrophobicContact CZ-CZ 4.04Å; T212-F217 VanDerWaalsContact CB-O 3.32Å; T212-F217 WeakPolarHBondContact CB-O 3.34Å; T212-F217 PolarHBondContact OG1-O 3.05Å
218	A	82.2	Confident	86.7	Confident	14 Å²	14	35.3 Å²	35.3	12%	0.116	20%	0.204	C	C	.	.			trans	-123.6	123.8	167	0	0	0	0	0	109.9	A174 C175 S211 T212	A174-A218 VanDerWaalsContact O-CB 3.25Å; A174-A218 WeakPolarHBondContact O-CB 3.49Å; C175-A218 PolarHBondContact SG-N 2.98Å; C175-A218 VanDerWaalsContact SG-N 3.44Å; S211-A218 WeakPolarHBondContact OG-CB 3.43Å; T212-A218 HydrophobicContact CG2-CB 3.92Å
219	W	88.4	Confident	87.2	Confident	38 Å²	38	34.8 Å²	34.8	14%	0.144	20%	0.201	C	C	.	.			trans	-86.9	150.7	-167.8	-64.1	92.7	0	0	0	113.7	F180 S226 W227 T267 T272 M275 K276	F180-W219 AromaticContact CD1-CH2 3.93Å; F180-W219 HydrophobicContact CD1-CH2 3.93Å; F180-W219 AromaticContact CD1-CZ2 3.62Å; F180-W219 HydrophobicContact CD1-CZ2 3.62Å; F180-W219 AromaticContact CE1-CH2 3.77Å; F180-W219 HydrophobicContact CE1-CH2 3.77Å; F180-W219 AromaticContact CE1-CZ2 3.9Å; F180-W219 HydrophobicContact CE1-CZ2 3.9Å; W219-S226 WeakPolarHBondContact O-CB 3.33Å; W219-W227 HydrophobicContact CB-CD2 3.74Å; W219-W227 HydrophobicContact CB-CE3 3.79Å; W219-W227 HydrophobicContact CB-CH2 3.5Å; W219-W227 HydrophobicContact CB-CZ2 3.46Å; W219-W227 VanDerWaalsContact CB-CZ2 3.46Å; W219-W227 HydrophobicContact CB-CZ3 3.68Å; W219-W227 AromaticContact CD1-CH2 3.5Å; W219-W227 AromaticContact CD1-CZ3 3.38Å; W219-W227 AromaticContact CD2-CH2 3.94Å; W219-W227 HydrophobicContact CD2-CH2 3.94Å; W219-W227 HydrophobicContact CD2-CZ2 4.32Å; W219-W227 HydrophobicContact CG-CE3 4.21Å; W219-W227 AromaticContact CG-CH2 3.35Å; W219-W227 HydrophobicContact CG-CH2 3.35Å; W219-W227 AromaticContact CG-CZ2 3.77Å; W219-W227 HydrophobicContact CG-CZ2 3.77Å; W219-W227 AromaticContact CG-CZ3 3.61Å; W219-W227 HydrophobicContact CG-CZ3 3.61Å; W219-T267 HydrophobicContact CH2-CG2 4.4Å; W219-T267 HydrophobicContact CZ3-CG2 3.94Å; W219-T272 VanDerWaalsContact CH2-O 3.23Å; W219-T272 WeakPolarHBondContact CH2-O 3.34Å; W219-M275 HydrophobicContact CH2-CB 4.35Å; W219-M275 HydrophobicContact CZ2-CB 3.54Å; W219-M275 HydrophobicContact CZ2-CG 4.08Å; W219-K276 PolarHBondContact NE1-O 2.72Å; W219-K276 VanDerWaalsContact NE1-O 3.13Å
220	R	89.6	Confident	87.5	Confident	70 Å²	70	35.9 Å²	35.9	26%	0.264	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	136.2	-177.6	-169.9	170.7	66.3	94.8	27.9	111	R76 D77	R76-R220 VanDerWaalsContact C-NH1 3.32Å; R76-R220 PolarHBondContact O-NH1 2.87Å; D77-R220 PolarHBondContact O-NH1 3.29Å; D77-R220 PolarHBondContact O-NH2 2.71Å
221	N	86.6	Confident	87.9	Confident	67 Å²	67	36 Å²	36	36%	0.358	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.6	173.1	-177	-65.4	0	0	0	109.4	S223 S224 G225	N221-S223 PolarHBondContact OD1-N 2.7Å; N221-S223 PolarHBondContact OD1-OG 2.86Å; N221-S224 WeakPolarHBondContact CB-OG 3.43Å; N221-S224 VanDerWaalsContact CG-OG 3.31Å; N221-S224 PolarHBondContact OD1-N 2.91Å; N221-S224 VanDerWaalsContact OD1-N 3.14Å; N221-S224 PolarHBondContact OD1-OG 3.28Å; N221-G225 PolarHBondContact N-O 2.95Å; N221-G225 WeakPolarHBondContact O-CA 3.49Å; N221-G225 PolarHBondContact O-N 3.34Å
222	S	81.5	Confident	88.3	Confident	82 Å²	82	36 Å²	36	57%	0.573	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-20.4	-176	50.3	0	0	0	0	114.6	G78	G78-S222 WeakPolarHBondContact CA-O 3.13Å
223	S	85.8	Confident	88.8	Confident	97 Å²	97	36 Å²	36	68%	0.678	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-22.9	177.4	64.9	0	0	0	0	114.3	N221	N221-S223 PolarHBondContact OD1-N 2.7Å; N221-S223 PolarHBondContact OD1-OG 2.86Å
224	S	89.6	Confident	89.6	Confident	64 Å²	64	37.2 Å²	37.2	45%	0.448	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-1.3	-178.6	63	0	0	0	0	116.3	N221 Q230	N221-S224 WeakPolarHBondContact CB-OG 3.43Å; N221-S224 VanDerWaalsContact CG-OG 3.31Å; N221-S224 PolarHBondContact OD1-N 2.91Å; N221-S224 VanDerWaalsContact OD1-N 3.14Å; N221-S224 PolarHBondContact OD1-OG 3.28Å; S224-Q230 VanDerWaalsContact O-CG 3.28Å; S224-Q230 WeakPolarHBondContact O-CG 3.18Å
225	G	91.7	Very high	90.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.5	-166	176.8	0	0	0	0	0	114.7	D82 N221	D82-G225 WeakPolarHBondContact OD1-CA 3.18Å; N221-G225 PolarHBondContact N-O 2.95Å; N221-G225 WeakPolarHBondContact O-CA 3.49Å; N221-G225 PolarHBondContact O-N 3.34Å
226	S	94.7	Very high	91.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.9	-176.9	53	0	0	0	0	112.7	D82 Q173 W219 F228 I229 Q230	D82-S226 VanDerWaalsContact CG-N 3.3Å; D82-S226 VanDerWaalsContact CG-OG 3.22Å; D82-S226 PolarHBondContact OD1-N 3.45Å; D82-S226 PolarHBondContact OD1-OG 2.98Å; D82-S226 VanDerWaalsContact OD2-CB 3.31Å; D82-S226 WeakPolarHBondContact OD2-CB 3.23Å; D82-S226 PolarHBondContact OD2-N 2.97Å; D82-S226 PolarHBondContact OD2-OG 2.86Å; Q173-S226 VanDerWaalsContact CD-CB 3.48Å; Q173-S226 WeakPolarHBondContact CG-OG 3.47Å; Q173-S226 PolarHBondContact OE1-OG 3.15Å; W219-S226 WeakPolarHBondContact O-CB 3.33Å; S226-F228 PolarHBondContact O-N 2.99Å; S226-F228 VanDerWaalsContact O-N 3.16Å; S226-I229 PolarHBondContact O-N 2.7Å; S226-I229 VanDerWaalsContact O-N 3.08Å; S226-I229 WeakPolarHBondContact OG-CB 3.42Å; S226-I229 WeakPolarHBondContact OG-CG1 3.24Å; S226-Q230 WeakPolarHBondContact O-CB 3.15Å; S226-Q230 VanDerWaalsContact O-CG 3.31Å; S226-Q230 WeakPolarHBondContact O-CG 3.46Å; S226-Q230 PolarHBondContact O-N 3.39Å
227	W	94.7	Very high	92.3	Very high	23 Å²	23	33 Å²	33	9%	0.087	18%	0.183	C	C	.	.	H	α-helix	trans	-56	-41.3	-170.9	-49.3	-20.1	0	0	0	111.9	W219 E231 V259 Y263 Q277	W219-W227 HydrophobicContact CB-CD2 3.74Å; W219-W227 HydrophobicContact CB-CE3 3.79Å; W219-W227 HydrophobicContact CB-CH2 3.5Å; W219-W227 HydrophobicContact CB-CZ2 3.46Å; W219-W227 VanDerWaalsContact CB-CZ2 3.46Å; W219-W227 HydrophobicContact CB-CZ3 3.68Å; W219-W227 AromaticContact CD1-CH2 3.5Å; W219-W227 AromaticContact CD1-CZ3 3.38Å; W219-W227 AromaticContact CD2-CH2 3.94Å; W219-W227 HydrophobicContact CD2-CH2 3.94Å; W219-W227 HydrophobicContact CD2-CZ2 4.32Å; W219-W227 HydrophobicContact CG-CE3 4.21Å; W219-W227 AromaticContact CG-CH2 3.35Å; W219-W227 HydrophobicContact CG-CH2 3.35Å; W219-W227 AromaticContact CG-CZ2 3.77Å; W219-W227 HydrophobicContact CG-CZ2 3.77Å; W219-W227 AromaticContact CG-CZ3 3.61Å; W219-W227 HydrophobicContact CG-CZ3 3.61Å; W227-E231 WeakPolarHBondContact O-CB 3.25Å; W227-E231 WeakPolarHBondContact O-CG 3.34Å; W227-E231 PolarHBondContact O-N 2.88Å; W227-V259 HydrophobicContact CB-CG2 4.45Å; W227-Y263 HydrophobicContact CB-CD1 3.82Å; W227-Y263 HydrophobicContact CB-CD2 4.23Å; W227-Y263 HydrophobicContact CB-CE1 3.94Å; W227-Y263 HydrophobicContact CB-CE2 4.33Å; W227-Y263 HydrophobicContact CB-CG 3.95Å; W227-Y263 AromaticContact CD1-CD1 3.3Å; W227-Y263 AromaticContact CD1-CE1 3.37Å; W227-Y263 AromaticContact CD2-CD1 3.5Å; W227-Y263 HydrophobicContact CD2-CD1 3.5Å; W227-Y263 HydrophobicContact CD2-CE1 4.32Å; W227-Y263 AromaticContact CD2-CG 3.79Å; W227-Y263 HydrophobicContact CD2-CG 3.79Å; W227-Y263 AromaticContact CE2-CD1 3.69Å; W227-Y263 HydrophobicContact CE3-CD1 4.25Å; W227-Y263 HydrophobicContact CE3-CG 4.1Å; W227-Y263 AromaticContact CG-CD1 3.27Å; W227-Y263 HydrophobicContact CG-CD1 3.27Å; W227-Y263 HydrophobicContact CG-CD2 4.49Å; W227-Y263 AromaticContact CG-CE1 3.62Å; W227-Y263 HydrophobicContact CG-CE1 3.62Å; W227-Y263 AromaticContact CG-CG 3.74Å; W227-Y263 HydrophobicContact CG-CG 3.74Å; W227-Y263 AromaticContact NE1-CD1 3.55Å; W227-Y263 AromaticContact NE1-CE1 3.94Å; W227-Q277 HydrophobicContact CE3-CB 3.92Å; W227-Q277 HydrophobicContact CZ3-CB 3.81Å
228	F	95.5	Very high	92.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-46.8	177.4	168.8	-115.2	0	0	0	113.3	F171 Q173 A209 S226 L232 L252 V255 T279	F171-F228 HydrophobicContact CD1-CZ 4.27Å; Q173-F228 HydrophobicContact CB-CD1 4.46Å; A209-F228 HydrophobicContact CB-CE2 4.42Å; A209-F228 HydrophobicContact CB-CZ 3.91Å; S226-F228 PolarHBondContact O-N 2.99Å; S226-F228 VanDerWaalsContact O-N 3.16Å; F228-L232 WeakPolarHBondContact O-CB 3.04Å; F228-L232 PolarHBondContact O-N 2.89Å; F228-L252 HydrophobicContact CE2-CD2 4.49Å; F228-V255 HydrophobicContact CD2-CG1 3.85Å; F228-V255 HydrophobicContact CE2-CG1 4.23Å; F228-T279 HydrophobicContact CD2-CG2 3.63Å; F228-T279 HydrophobicContact CE2-CG2 4.28Å; F228-T279 HydrophobicContact CG-CG2 4.42Å
229	I	97.2	Very high	93.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.5	-40.2	-178.1	-63	-63.9	0	0	0	111.1	D82 V86 L131 Q173 S226 E231 L232 C233	D82-I229 HydrophobicContact CB-CB 4.34Å; D82-I229 HydrophobicContact CB-CG2 3.88Å; V86-I229 HydrophobicContact CG2-CG2 3.47Å; V86-I229 VanDerWaalsContact CG2-CG2 3.47Å; L131-I229 HydrophobicContact CD2-CD1 3.71Å; L131-I229 HydrophobicContact CD2-CG1 3.79Å; Q173-I229 HydrophobicContact CB-CD1 3.99Å; Q173-I229 HydrophobicContact CB-CG1 3.82Å; Q173-I229 HydrophobicContact CG-CG1 3.95Å; S226-I229 PolarHBondContact O-N 2.7Å; S226-I229 VanDerWaalsContact O-N 3.08Å; S226-I229 WeakPolarHBondContact OG-CB 3.42Å; S226-I229 WeakPolarHBondContact OG-CG1 3.24Å; I229-E231 PolarHBondContact O-N 2.95Å; I229-L232 PolarHBondContact O-N 2.9Å; I229-C233 WeakPolarHBondContact O-CB 3.31Å; I229-C233 PolarHBondContact O-N 3.11Å; I229-C233 PolarHBondContact O-SG 3.26Å; I229-C233 VanDerWaalsContact O-SG 3.37Å
230	Q	97.5	Very high	93.6	Very high	23 Å²	23	32.8 Å²	32.8	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-41	176.6	-62.5	-57.3	-40.6	0	0	111.6	D82 R85 S224 S226 N234	D82-Q230 PolarHBondContact OD1-NE2 3Å; R85-Q230 PolarHBondContact NH1-O 3.33Å; S224-Q230 VanDerWaalsContact O-CG 3.28Å; S224-Q230 WeakPolarHBondContact O-CG 3.18Å; S226-Q230 WeakPolarHBondContact O-CB 3.15Å; S226-Q230 VanDerWaalsContact O-CG 3.31Å; S226-Q230 WeakPolarHBondContact O-CG 3.46Å; S226-Q230 PolarHBondContact O-N 3.39Å; Q230-N234 PolarHBondContact O-N 3.03Å
231	E	97.4	Very high	93.8	Very high	20 Å²	20	38.1 Å²	38.1	9%	0.093	21%	0.214	C	C	.	.	H	α-helix	trans	-76.1	-33.6	176.5	-68.4	-50.7	141.6	0	0	113.9	W227 I229 C233 N234 A235 V255 V258 V259 Y263	W227-E231 WeakPolarHBondContact O-CB 3.25Å; W227-E231 WeakPolarHBondContact O-CG 3.34Å; W227-E231 PolarHBondContact O-N 2.88Å; I229-E231 PolarHBondContact O-N 2.95Å; E231-C233 VanDerWaalsContact C-N 3.3Å; E231-C233 PolarHBondContact O-N 3.44Å; E231-N234 PolarHBondContact O-N 2.81Å; E231-N234 PolarHBondContact OE1-ND2 2.86Å; E231-N234 WeakPolarHBondContact OE2-CB 3.39Å; E231-N234 PolarHBondContact OE2-ND2 3.15Å; E231-A235 WeakPolarHBondContact O-CB 3.29Å; E231-A235 PolarHBondContact O-N 3Å; E231-V255 HydrophobicContact CB-CG1 4.01Å; E231-V258 HydrophobicContact CG-CB 4.11Å; E231-V258 HydrophobicContact CG-CG1 3.71Å; E231-V258 WeakPolarHBondContact OE2-CG1 3.49Å; E231-V259 HydrophobicContact CB-CG2 4.2Å; E231-V259 HydrophobicContact CG-CG2 4.17Å; E231-Y263 HydrophobicContact CG-CE2 3.72Å; E231-Y263 PolarHBondContact OE1-OH 3.1Å
232	L	97.5	Very high	94	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-56.6	-47.1	169.1	176.2	63	0	0	0	110.7	F171 F228 I229 A235 L236 L252 V255	F171-L232 HydrophobicContact CD1-CD1 4.31Å; F171-L232 HydrophobicContact CD1-CD2 3.44Å; F171-L232 VanDerWaalsContact CD1-CD2 3.44Å; F171-L232 HydrophobicContact CE1-CD1 3.77Å; F171-L232 HydrophobicContact CE1-CD2 3.7Å; F171-L232 HydrophobicContact CE1-CG 4.4Å; F171-L232 HydrophobicContact CG-CD2 4.04Å; F171-L232 HydrophobicContact CZ-CD1 4.47Å; F171-L232 HydrophobicContact CZ-CD2 4.48Å; F228-L232 WeakPolarHBondContact O-CB 3.04Å; F228-L232 PolarHBondContact O-N 2.89Å; I229-L232 PolarHBondContact O-N 2.9Å; L232-A235 PolarHBondContact O-N 3.44Å; L232-L236 HydrophobicContact CD1-CD1 4.08Å; L232-L236 HydrophobicContact CD1-CG 4.45Å; L232-L236 HydrophobicContact CG-CD1 4.09Å; L232-L236 WeakPolarHBondContact O-CD1 3.2Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.5Å; L232-L236 PolarHBondContact O-N 2.88Å; L232-L236 VanDerWaalsContact O-N 3.11Å; L232-L252 HydrophobicContact CD1-CD2 4.1Å; L232-V255 HydrophobicContact CB-CG2 4.38Å; L232-V255 HydrophobicContact CD1-CG2 4.46Å
233	C	97.7	Very high	94.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-41.8	174.8	-69.5	0	0	0	0	112.4	R85 V89 I229 E231 A235 L236 E237	R85-C233 HydrophobicContact CG-CB 3.86Å; V89-C233 HydrophobicContact CG2-CB 4.02Å; I229-C233 WeakPolarHBondContact O-CB 3.31Å; I229-C233 PolarHBondContact O-N 3.11Å; I229-C233 PolarHBondContact O-SG 3.26Å; I229-C233 VanDerWaalsContact O-SG 3.37Å; E231-C233 VanDerWaalsContact C-N 3.3Å; E231-C233 PolarHBondContact O-N 3.44Å; C233-A235 VanDerWaalsContact C-N 3.34Å; C233-A235 PolarHBondContact O-N 2.91Å; C233-L236 PolarHBondContact O-N 3.32Å; C233-E237 VanDerWaalsContact O-CB 3.31Å; C233-E237 WeakPolarHBondContact O-CB 3.41Å; C233-E237 WeakPolarHBondContact O-CG 3.41Å; C233-E237 PolarHBondContact O-N 3.3Å
234	N	97.5	Very high	94.4	Very high	62 Å²	62	36.7 Å²	36.7	33%	0.332	20%	0.199	S	C	.	.	H	α-helix	trans	-56.3	-46.8	174.4	-77.1	-20.7	0	0	0	111.9	R85 Q230 E231 S238	R85-N234 PolarHBondContact NH1-OD1 3.41Å; R85-N234 PolarHBondContact NH2-OD1 2.62Å; Q230-N234 PolarHBondContact O-N 3.03Å; E231-N234 PolarHBondContact O-N 2.81Å; E231-N234 PolarHBondContact OE1-ND2 2.86Å; E231-N234 WeakPolarHBondContact OE2-CB 3.39Å; E231-N234 PolarHBondContact OE2-ND2 3.15Å; N234-S238 WeakPolarHBondContact O-CB 3.31Å; N234-S238 PolarHBondContact O-N 2.89Å
235	A	97.1	Very high	94.3	Very high	8 Å²	8	35.8 Å²	35.8	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-46.7	-178.8	0	0	0	0	0	111.8	E231 L232 C233 S238 D239 V255	E231-A235 WeakPolarHBondContact O-CB 3.29Å; E231-A235 PolarHBondContact O-N 3Å; L232-A235 PolarHBondContact O-N 3.44Å; C233-A235 VanDerWaalsContact C-N 3.34Å; C233-A235 PolarHBondContact O-N 2.91Å; A235-S238 PolarHBondContact O-N 3.39Å; A235-D239 PolarHBondContact O-N 2.59Å; A235-V255 HydrophobicContact CB-CG2 3.81Å
236	L	96.5	Very high	94.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-49.5	177	-68	167.9	0	0	0	111.9	V89 F90 L93 L232 C233 S238 D239 M240 L251 I291	V89-L236 HydrophobicContact CG1-CB 3.89Å; V89-L236 HydrophobicContact CG1-CD1 4.1Å; F90-L236 HydrophobicContact CE2-CD1 4.36Å; F90-L236 HydrophobicContact CZ-CD1 3.99Å; L93-L236 HydrophobicContact CD1-CB 4.43Å; L93-L236 HydrophobicContact CD1-CD1 4.22Å; L93-L236 HydrophobicContact CD1-CD2 4.15Å; L232-L236 HydrophobicContact CD1-CD1 4.08Å; L232-L236 HydrophobicContact CD1-CG 4.45Å; L232-L236 HydrophobicContact CG-CD1 4.09Å; L232-L236 WeakPolarHBondContact O-CD1 3.2Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.5Å; L232-L236 PolarHBondContact O-N 2.88Å; L232-L236 VanDerWaalsContact O-N 3.11Å; C233-L236 PolarHBondContact O-N 3.32Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 2.97Å; L236-D239 PolarHBondContact O-N 2.59Å; L236-M240 VanDerWaalsContact O-CG 3.3Å; L236-M240 WeakPolarHBondContact O-CG 3.23Å; L236-M240 PolarHBondContact O-N 2.83Å; L236-M240 VanDerWaalsContact O-N 3.08Å; L236-L251 HydrophobicContact CD2-CD1 4.1Å; L236-I291 HydrophobicContact CD2-CD1 4.06Å; L236-I291 HydrophobicContact CD2-CG2 3.49Å; L236-I291 VanDerWaalsContact CD2-CG2 3.49Å
237	E	95.7	Very high	94.5	Very high	52 Å²	52	38.4 Å²	38.4	24%	0.243	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-35	-179.8	-69.1	-178	87	0	0	112.4	R85 R88 V89 C233 K241	R85-E237 IonicContact CZ-OE2 2.75Å; R85-E237 IonicContact NE-OE2 3.86Å; R85-E237 PolarHBondContact NE-OE2 3.01Å; R85-E237 VanDerWaalsContact NE-OE2 3.12Å; R85-E237 IonicContact NH2-OE2 3.77Å; R85-E237 PolarHBondContact NH2-OE2 3.34Å; R88-E237 IonicContact CZ-OE1 3.7Å; R88-E237 IonicContact CZ-OE2 2.68Å; R88-E237 IonicContact NH1-OE1 3.31Å; R88-E237 PolarHBondContact NH1-OE1 3.39Å; R88-E237 IonicContact NH2-OE1 2.77Å; R88-E237 PolarHBondContact NH2-OE1 2.73Å; R88-E237 IonicContact NH2-OE2 2.75Å; R88-E237 PolarHBondContact NH2-OE2 3.49Å; V89-E237 HydrophobicContact CB-CG 4.46Å; V89-E237 HydrophobicContact CG1-CG 4.1Å; V89-E237 VanDerWaalsContact CG2-CD 3.42Å; V89-E237 HydrophobicContact CG2-CG 3.51Å; V89-E237 WeakPolarHBondContact CG2-OE2 3.34Å; C233-E237 VanDerWaalsContact O-CB 3.31Å; C233-E237 WeakPolarHBondContact O-CB 3.41Å; C233-E237 WeakPolarHBondContact O-CG 3.41Å; C233-E237 PolarHBondContact O-N 3.3Å; E237-K241 VanDerWaalsContact O-CB 3.24Å; E237-K241 WeakPolarHBondContact O-CB 3.42Å; E237-K241 PolarHBondContact O-N 3.3Å
238	S	95.4	Very high	94.5	Very high	58 Å²	58	37.3 Å²	37.3	41%	0.406	20%	0.201	S	C	.	.	H	α-helix	trans	-69.4	-40.9	175.2	-169.9	0	0	0	0	112.1	N234 A235 L236 K241 N242	N234-S238 WeakPolarHBondContact O-CB 3.31Å; N234-S238 PolarHBondContact O-N 2.89Å; A235-S238 PolarHBondContact O-N 3.39Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 2.97Å; S238-K241 PolarHBondContact O-N 3.15Å; S238-N242 WeakPolarHBondContact O-CB 3.37Å; S238-N242 PolarHBondContact O-N 2.97Å; S238-N242 VanDerWaalsContact O-N 3.12Å; S238-N242 PolarHBondContact O-ND2 2.95Å; S238-N242 PolarHBondContact OG-ND2 2.76Å
239	D	95.1	Very high	94.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.011	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-46.7	175.5	-169.8	85.7	0	0	0	111.9	A235 L236 A243 N244 H245 S246 L251 N292	A235-D239 PolarHBondContact O-N 2.59Å; L236-D239 PolarHBondContact O-N 2.59Å; D239-A243 PolarHBondContact O-N 2.9Å; D239-A243 VanDerWaalsContact O-N 3.17Å; D239-N244 PolarHBondContact O-N 3.3Å; D239-N244 WeakPolarHBondContact OD1-CB 3.32Å; D239-H245 PolarHBondContact OD1-N 2.83Å; D239-H245 WeakPolarHBondContact OD2-CA 3.23Å; D239-H245 PolarHBondContact OD2-N 2.76Å; D239-S246 WeakPolarHBondContact OD1-CB 3.43Å; D239-S246 PolarHBondContact OD1-N 3.45Å; D239-S246 PolarHBondContact OD1-OG 2.83Å; D239-L251 HydrophobicContact CB-CD1 4.3Å; D239-L251 HydrophobicContact CB-CD2 3.96Å; D239-N292 WeakPolarHBondContact OD2-CB 3.34Å; D239-N292 PolarHBondContact OD2-ND2 2.72Å; D239-N292 VanDerWaalsContact OD2-ND2 3.13Å
240	M	92.2	Very high	94.4	Very high	54 Å²	54	43.5 Å²	43.5	27%	0.266	24%	0.237	S	C	.	.	H	α-helix	trans	-58.4	-54.1	175.7	-68.3	178.1	76.1	0	0	111.9	S92 L93 L236 N242 A243 N292	S92-M240 VanDerWaalsContact O-CE 3.27Å; S92-M240 WeakPolarHBondContact O-CE 3.27Å; L93-M240 HydrophobicContact CD2-CE 4.16Å; L93-M240 HydrophobicContact CD2-CG 3.76Å; L93-M240 HydrophobicContact CD2-SD 3.48Å; L93-M240 WeakPolarHBondContact CD2-SD 3.39Å; L93-M240 HydrophobicContact CG-CE 4.36Å; L93-M240 HydrophobicContact CG-SD 3.68Å; L236-M240 VanDerWaalsContact O-CG 3.3Å; L236-M240 WeakPolarHBondContact O-CG 3.23Å; L236-M240 PolarHBondContact O-N 2.83Å; L236-M240 VanDerWaalsContact O-N 3.08Å; M240-N242 VanDerWaalsContact C-N 3.27Å; M240-N242 PolarHBondContact O-N 3.02Å; M240-A243 PolarHBondContact O-N 2.83Å; M240-A243 VanDerWaalsContact O-N 3.14Å; M240-N292 WeakPolarHBondContact CA-ND2 3.46Å
241	K	93	Very high	94.4	Very high	183 Å²	183	42.9 Å²	42.9	80%	0.796	23%	0.234	S	C	*	.	H	α-helix	trans	-61.1	-35.6	-174.9	-179.5	-179.8	175.3	-175	0	112.7	E237 S238	E237-K241 VanDerWaalsContact O-CB 3.24Å; E237-K241 WeakPolarHBondContact O-CB 3.42Å; E237-K241 PolarHBondContact O-N 3.3Å; S238-K241 PolarHBondContact O-N 3.15Å
242	N	91.7	Very high	94.4	Very high	89 Å²	89	42.2 Å²	42.2	48%	0.476	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.8	-178.2	-62.5	-49.7	0	0	0	113.3	S238 M240 N244	S238-N242 WeakPolarHBondContact O-CB 3.37Å; S238-N242 PolarHBondContact O-N 2.97Å; S238-N242 VanDerWaalsContact O-N 3.12Å; S238-N242 PolarHBondContact O-ND2 2.95Å; S238-N242 PolarHBondContact OG-ND2 2.76Å; M240-N242 VanDerWaalsContact C-N 3.27Å; M240-N242 PolarHBondContact O-N 3.02Å; N242-N244 PolarHBondContact O-N 3.4Å
243	A	87.4	Confident	94.3	Very high	51 Å²	51	45.6 Å²	45.6	42%	0.421	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	45.4	-169.2	0	0	0	0	0	111.9	D239 M240 H245 K295	D239-A243 PolarHBondContact O-N 2.9Å; D239-A243 VanDerWaalsContact O-N 3.17Å; M240-A243 PolarHBondContact O-N 2.83Å; M240-A243 VanDerWaalsContact O-N 3.14Å; A243-H245 PolarHBondContact O-CD2 2.9Å; A243-K295 WeakPolarHBondContact O-CE 3.22Å; A243-K295 PolarHBondContact O-NZ 2.77Å
244	N	88	Confident	94.3	Very high	75 Å²	75	48.3 Å²	48.3	40%	0.401	27%	0.268	S	S	.	.			trans	-74	-45.6	-178.6	-80.6	-13.1	0	0	0	111.1	D239 N242 K295	D239-N244 PolarHBondContact O-N 3.3Å; D239-N244 WeakPolarHBondContact OD1-CB 3.32Å; N242-N244 PolarHBondContact O-N 3.4Å; N244-K295 VanDerWaalsContact O-CE 3.25Å; N244-K295 WeakPolarHBondContact O-CE 3.43Å; N244-K295 PolarHBondContact O-NZ 2.67Å
245	H	87.9	Confident	94.2	Very high	45 Å²	45	45.4 Å²	45.4	21%	0.208	25%	0.253	C	S	.	.			trans	56.9	55.4	-173.5	-60.4	-100.7	0	0	0	111.5	D239 A243 Y290 N292 G293 K295	D239-H245 PolarHBondContact OD1-N 2.83Å; D239-H245 WeakPolarHBondContact OD2-CA 3.23Å; D239-H245 PolarHBondContact OD2-N 2.76Å; A243-H245 PolarHBondContact O-CD2 2.9Å; H245-Y290 WeakPolarHBondContact O-CD1 3.5Å; H245-Y290 WeakPolarHBondContact O-CE1 3.39Å; H245-N292 PolarHBondContact CE1-O 3.43Å; H245-N292 PolarHBondContact ND1-O 2.93Å; H245-G293 PolarHBondContact ND1-O 2.8Å; H245-K295 HydrophobicContact CB-CD 4.47Å; H245-K295 HydrophobicContact CB-CG 3.99Å; H245-K295 VanDerWaalsContact CD2-CG 3.48Å; H245-K295 WeakPolarHBondContact CD2-CG 3.5Å
246	S	94.3	Very high	94.1	Very high	35 Å²	35	45.7 Å²	45.7	25%	0.245	26%	0.256	C	S	.	.			trans	-78.2	155	173.3	-41.8	0	0	0	0	110.9	D239	D239-S246 WeakPolarHBondContact OD1-CB 3.43Å; D239-S246 PolarHBondContact OD1-N 3.45Å; D239-S246 PolarHBondContact OD1-OG 2.83Å
247	D	95.1	Very high	94.1	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.112	28%	0.277	C	S	.	.			trans	-75.2	158.5	171.4	74	89.1	0	0	0	111.4	M249 S250 L251 L288 F289 Y290	D247-M249 VanDerWaalsContact C-N 3.3Å; D247-M249 PolarHBondContact O-N 3.07Å; D247-M249 WeakPolarHBondContact OD1-CA 3.41Å; D247-M249 WeakPolarHBondContact OD1-CB 3.32Å; D247-M249 PolarHBondContact OD1-N 3.08Å; D247-S250 PolarHBondContact O-N 2.8Å; D247-S250 PolarHBondContact OD1-N 3.45Å; D247-S250 WeakPolarHBondContact OD2-CB 3.26Å; D247-S250 PolarHBondContact OD2-OG 2.86Å; D247-L251 WeakPolarHBondContact O-CG 3.21Å; D247-L251 PolarHBondContact O-N 3.2Å; D247-L288 HydrophobicContact CB-CB 4.35Å; D247-L288 HydrophobicContact CB-CD2 4.33Å; D247-F289 CarbonylContact C-O 3.6Å; D247-F289 WeakPolarHBondContact CA-O 3.44Å; D247-Y290 HydrophobicContact CB-CD1 4.29Å; D247-Y290 HydrophobicContact CB-CE1 4Å
248	I	95.5	Very high	94	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-28.8	-176.4	-169.6	60.3	0	0	0	114.2	L169 F171 L207 L252 L285 F289 I291	L169-I248 HydrophobicContact CD2-CD1 4.31Å; L169-I248 HydrophobicContact CD2-CG1 3.93Å; F171-I248 HydrophobicContact CZ-CD1 4.47Å; L207-I248 HydrophobicContact CD1-CG1 4.1Å; L207-I248 HydrophobicContact CD1-CG2 3.65Å; I248-L252 HydrophobicContact CG1-CD1 4.07Å; I248-L252 WeakPolarHBondContact O-CB 3.28Å; I248-L252 VanDerWaalsContact O-CG 3.29Å; I248-L252 WeakPolarHBondContact O-CG 3.35Å; I248-L252 PolarHBondContact O-N 3.25Å; I248-L285 HydrophobicContact CG2-CD1 4Å; I248-F289 HydrophobicContact CB-CD1 4.25Å; I248-F289 HydrophobicContact CG2-CB 4.01Å; I248-F289 HydrophobicContact CG2-CD1 4.13Å; I248-F289 PolarHBondContact N-O 2.8Å; I248-I291 HydrophobicContact CD1-CD1 4.14Å; I248-I291 HydrophobicContact CD1-CG2 4.29Å
249	M	94.7	Very high	93.9	Very high	71 Å²	71	47.3 Å²	47.3	35%	0.35	25%	0.253	S	S	.	.	H	α-helix	trans	-76.5	-39.1	179	-66.7	-65.3	-67.1	0	0	111	L207 D247 L251 L252 T253 T281	L207-M249 HydrophobicContact CD1-CG 4.49Å; L207-M249 HydrophobicContact CD1-SD 3.65Å; D247-M249 VanDerWaalsContact C-N 3.3Å; D247-M249 PolarHBondContact O-N 3.07Å; D247-M249 WeakPolarHBondContact OD1-CA 3.41Å; D247-M249 WeakPolarHBondContact OD1-CB 3.32Å; D247-M249 PolarHBondContact OD1-N 3.08Å; M249-L251 VanDerWaalsContact C-N 3.34Å; M249-L252 PolarHBondContact O-N 2.91Å; M249-T253 WeakPolarHBondContact O-CB 3.42Å; M249-T253 PolarHBondContact O-N 2.81Å; M249-T253 PolarHBondContact O-OG1 2.9Å; M249-T281 HydrophobicContact CE-CG2 4.1Å; M249-T281 HydrophobicContact SD-CG2 3.87Å
250	S	95.8	Very high	93.5	Very high	59 Å²	59	48.2 Å²	48.2	41%	0.413	26%	0.261	S	S	.	.	H	α-helix	trans	-59.8	-43.5	169.2	-69.1	0	0	0	0	111.7	D247 T253 V254	D247-S250 PolarHBondContact O-N 2.8Å; D247-S250 PolarHBondContact OD1-N 3.45Å; D247-S250 WeakPolarHBondContact OD2-CB 3.26Å; D247-S250 PolarHBondContact OD2-OG 2.86Å; S250-T253 WeakPolarHBondContact O-CB 3.41Å; S250-T253 PolarHBondContact O-N 2.99Å; S250-V254 PolarHBondContact O-N 2.66Å; S250-V254 VanDerWaalsContact O-N 3.12Å
251	L	97	Very high	93.6	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.052	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-45.4	176.3	-65.9	176.2	0	0	0	111.9	L236 D239 D247 M249 T253 V254 V255 I291	L236-L251 HydrophobicContact CD2-CD1 4.1Å; D239-L251 HydrophobicContact CB-CD1 4.3Å; D239-L251 HydrophobicContact CB-CD2 3.96Å; D247-L251 WeakPolarHBondContact O-CG 3.21Å; D247-L251 PolarHBondContact O-N 3.2Å; M249-L251 VanDerWaalsContact C-N 3.34Å; L251-T253 PolarHBondContact O-N 3.24Å; L251-V254 WeakPolarHBondContact O-CA 3.17Å; L251-V254 WeakPolarHBondContact O-CB 3.49Å; L251-V254 PolarHBondContact O-N 2.96Å; L251-V255 WeakPolarHBondContact O-CG2 3.4Å; L251-V255 PolarHBondContact O-N 2.76Å; L251-I291 HydrophobicContact CD1-CG2 3.94Å
252	L	96.7	Very high	93.4	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-27.8	175.5	-74.8	167.6	0	0	0	112.9	F171 L207 A209 F228 L232 I248 M249 V255 A256 T281	F171-L252 HydrophobicContact CE1-CD2 4.4Å; L207-L252 HydrophobicContact CD1-CD1 4Å; L207-L252 HydrophobicContact CD2-CD1 3.82Å; L207-L252 HydrophobicContact CG-CD1 4.45Å; A209-L252 HydrophobicContact CB-CD1 4.14Å; A209-L252 HydrophobicContact CB-CD2 3.98Å; F228-L252 HydrophobicContact CE2-CD2 4.49Å; L232-L252 HydrophobicContact CD1-CD2 4.1Å; I248-L252 HydrophobicContact CG1-CD1 4.07Å; I248-L252 WeakPolarHBondContact O-CB 3.28Å; I248-L252 VanDerWaalsContact O-CG 3.29Å; I248-L252 WeakPolarHBondContact O-CG 3.35Å; I248-L252 PolarHBondContact O-N 3.25Å; M249-L252 PolarHBondContact O-N 2.91Å; L252-V255 PolarHBondContact O-N 2.79Å; L252-A256 WeakPolarHBondContact O-CB 3.42Å; L252-A256 PolarHBondContact O-N 2.72Å; L252-T281 HydrophobicContact CD1-CG2 3.94Å
253	T	96.2	Very high	93.1	Very high	73 Å²	73	51.3 Å²	51.3	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-69	-33.2	171.4	-59.5	0	0	0	0	111.7	M249 S250 L251 R257	M249-T253 WeakPolarHBondContact O-CB 3.42Å; M249-T253 PolarHBondContact O-N 2.81Å; M249-T253 PolarHBondContact O-OG1 2.9Å; S250-T253 WeakPolarHBondContact O-CB 3.41Å; S250-T253 PolarHBondContact O-N 2.99Å; L251-T253 PolarHBondContact O-N 3.24Å; T253-R257 VanDerWaalsContact O-CB 3.31Å; T253-R257 WeakPolarHBondContact O-CB 3.41Å; T253-R257 PolarHBondContact O-N 2.75Å; T253-R257 VanDerWaalsContact O-N 3.08Å
254	V	96.8	Very high	93.1	Very high	57 Å²	57	56.5 Å²	56.5	35%	0.345	27%	0.274	S	S	.	.	H	α-helix	trans	-67.1	-46.2	169.1	176.8	0	0	0	0	110.7	S250 L251 A256 R257 V258	S250-V254 PolarHBondContact O-N 2.66Å; S250-V254 VanDerWaalsContact O-N 3.12Å; L251-V254 WeakPolarHBondContact O-CA 3.17Å; L251-V254 WeakPolarHBondContact O-CB 3.49Å; L251-V254 PolarHBondContact O-N 2.96Å; V254-A256 PolarHBondContact O-N 3.32Å; V254-R257 WeakPolarHBondContact O-CB 3.17Å; V254-R257 PolarHBondContact O-N 2.84Å; V254-V258 HydrophobicContact CG1-CG2 4.36Å; V254-V258 WeakPolarHBondContact O-CG2 3.36Å; V254-V258 PolarHBondContact O-N 3.32Å
255	V	97.2	Very high	93.1	Very high	1 Å²	1	53 Å²	53	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-55.9	-50.8	176	179.8	0	0	0	0	110.9	F228 E231 L232 A235 L251 L252 R257 V258 V259	F228-V255 HydrophobicContact CD2-CG1 3.85Å; F228-V255 HydrophobicContact CE2-CG1 4.23Å; E231-V255 HydrophobicContact CB-CG1 4.01Å; L232-V255 HydrophobicContact CB-CG2 4.38Å; L232-V255 HydrophobicContact CD1-CG2 4.46Å; A235-V255 HydrophobicContact CB-CG2 3.81Å; L251-V255 WeakPolarHBondContact O-CG2 3.4Å; L251-V255 PolarHBondContact O-N 2.76Å; L252-V255 PolarHBondContact O-N 2.79Å; V255-R257 VanDerWaalsContact C-N 3.33Å; V255-R257 PolarHBondContact O-N 2.86Å; V255-V258 PolarHBondContact O-N 3.24Å; V255-V259 HydrophobicContact CG1-CG2 4.29Å; V255-V259 WeakPolarHBondContact O-CG2 3.35Å; V255-V259 PolarHBondContact O-N 3.4Å
256	A	93.1	Very high	93.1	Very high	15 Å²	15	58.1 Å²	58.1	12%	0.124	29%	0.285	C	S	.	.	H	α-helix	trans	-56.5	-46.2	178	0	0	0	0	0	111.8	L252 V254 A260 M278 T279	L252-A256 WeakPolarHBondContact O-CB 3.42Å; L252-A256 PolarHBondContact O-N 2.72Å; V254-A256 PolarHBondContact O-N 3.32Å; A256-A260 WeakPolarHBondContact O-CB 3.47Å; A256-A260 PolarHBondContact O-N 2.86Å; A256-M278 HydrophobicContact CB-CE 4.02Å; A256-T279 WeakPolarHBondContact CA-OG1 3.34Å; A256-T279 VanDerWaalsContact CB-OG1 3.27Å; A256-T279 WeakPolarHBondContact CB-OG1 3.38Å
257	R	96.6	Very high	92.8	Very high	123 Å²	123	59 Å²	59	46%	0.464	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-44.2	177.9	-169.6	-172.6	-57	139.5	5.4	112.5	T253 V254 V255 Y261	T253-R257 VanDerWaalsContact O-CB 3.31Å; T253-R257 WeakPolarHBondContact O-CB 3.41Å; T253-R257 PolarHBondContact O-N 2.75Å; T253-R257 VanDerWaalsContact O-N 3.08Å; V254-R257 WeakPolarHBondContact O-CB 3.17Å; V254-R257 PolarHBondContact O-N 2.84Å; V255-R257 VanDerWaalsContact C-N 3.33Å; V255-R257 PolarHBondContact O-N 2.86Å; R257-Y261 HydrophobicContact CG-CD2 3.68Å; R257-Y261 HydrophobicContact CG-CE2 3.53Å; R257-Y261 HydrophobicContact CG-CG 4.38Å; R257-Y261 WeakPolarHBondContact O-CB 3.26Å; R257-Y261 VanDerWaalsContact O-CG 3.22Å; R257-Y261 PolarHBondContact O-N 2.78Å
258	V	95.2	Very high	92.4	Very high	22 Å²	22	61.2 Å²	61.2	13%	0.133	32%	0.317	C	S	.	.	H	α-helix	trans	-71.2	-45.3	-178.6	-179.4	0	0	0	0	111.2	E231 V254 V255 Y261 Q262 Y263	E231-V258 HydrophobicContact CG-CB 4.11Å; E231-V258 HydrophobicContact CG-CG1 3.71Å; E231-V258 WeakPolarHBondContact OE2-CG1 3.49Å; V254-V258 HydrophobicContact CG1-CG2 4.36Å; V254-V258 WeakPolarHBondContact O-CG2 3.36Å; V254-V258 PolarHBondContact O-N 3.32Å; V255-V258 PolarHBondContact O-N 3.24Å; V258-Y261 PolarHBondContact O-N 2.68Å; V258-Q262 HydrophobicContact CG1-CB 4.3Å; V258-Q262 HydrophobicContact CG1-CG 4.15Å; V258-Q262 WeakPolarHBondContact O-CB 3.49Å; V258-Q262 PolarHBondContact O-N 2.8Å; V258-Y263 HydrophobicContact CG1-CE2 4.24Å
259	V	92	Very high	92	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-49.9	174.7	174.6	0	0	0	0	110.4	W227 E231 V255 Y261 Y263 Q277 T279	W227-V259 HydrophobicContact CB-CG2 4.45Å; E231-V259 HydrophobicContact CB-CG2 4.2Å; E231-V259 HydrophobicContact CG-CG2 4.17Å; V255-V259 HydrophobicContact CG1-CG2 4.29Å; V255-V259 WeakPolarHBondContact O-CG2 3.35Å; V255-V259 PolarHBondContact O-N 3.4Å; V259-Y261 PolarHBondContact O-N 3.12Å; V259-Y263 PolarHBondContact O-N 2.75Å; V259-Q277 HydrophobicContact CG1-CB 3.98Å; V259-Q277 HydrophobicContact CG1-CG 4.05Å; V259-T279 HydrophobicContact CB-CG2 4.31Å; V259-T279 HydrophobicContact CG1-CG2 4.23Å; V259-T279 HydrophobicContact CG2-CG2 4.26Å
260	A	87.7	Confident	91.5	Very high	21 Å²	21	71.7 Å²	71.7	17%	0.174	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-38.6	-178.7	0	0	0	0	0	113.1	A256 K276 M278	A256-A260 WeakPolarHBondContact O-CB 3.47Å; A256-A260 PolarHBondContact O-N 2.86Å; A260-K276 WeakPolarHBondContact O-CE 3.43Å; A260-K276 PolarHBondContact O-NZ 3.38Å; A260-M278 HydrophobicContact CB-SD 3.95Å
261	Y	92.9	Very high	91.1	Very high	182 Å²	182	76.5 Å²	76.5	71%	0.714	38%	0.384	S	S	*	.	H	α-helix	trans	-94.2	-41.2	-170.7	-63	-0.7	0	0	0	113.4	R257 V258 V259	R257-Y261 HydrophobicContact CG-CD2 3.68Å; R257-Y261 HydrophobicContact CG-CE2 3.53Å; R257-Y261 HydrophobicContact CG-CG 4.38Å; R257-Y261 WeakPolarHBondContact O-CB 3.26Å; R257-Y261 VanDerWaalsContact O-CG 3.22Å; R257-Y261 PolarHBondContact O-N 2.78Å; V258-Y261 PolarHBondContact O-N 2.68Å; V259-Y261 PolarHBondContact O-N 3.12Å
262	Q	89.1	Confident	90.7	Very high	150 Å²	150	76.9 Å²	76.9	70%	0.701	39%	0.387	S	S	*	.	H	α-helix	trans	-93.6	-29.6	-171.5	-57.7	-166.5	37.3	0	0	113.7	V258	V258-Q262 HydrophobicContact CG1-CB 4.3Å; V258-Q262 HydrophobicContact CG1-CG 4.15Å; V258-Q262 WeakPolarHBondContact O-CB 3.49Å; V258-Q262 PolarHBondContact O-N 2.8Å
263	Y	86.5	Confident	90.2	Very high	60 Å²	60	78.3 Å²	78.3	24%	0.235	40%	0.395	C	S	.	.			trans	-92.3	143.7	-175.2	-73.3	-91.7	0	0	0	113.4	W227 E231 V258 V259 K276	W227-Y263 HydrophobicContact CB-CD1 3.82Å; W227-Y263 HydrophobicContact CB-CD2 4.23Å; W227-Y263 HydrophobicContact CB-CE1 3.94Å; W227-Y263 HydrophobicContact CB-CE2 4.33Å; W227-Y263 HydrophobicContact CB-CG 3.95Å; W227-Y263 AromaticContact CD1-CD1 3.3Å; W227-Y263 AromaticContact CD1-CE1 3.37Å; W227-Y263 AromaticContact CD2-CD1 3.5Å; W227-Y263 HydrophobicContact CD2-CD1 3.5Å; W227-Y263 HydrophobicContact CD2-CE1 4.32Å; W227-Y263 AromaticContact CD2-CG 3.79Å; W227-Y263 HydrophobicContact CD2-CG 3.79Å; W227-Y263 AromaticContact CE2-CD1 3.69Å; W227-Y263 HydrophobicContact CE3-CD1 4.25Å; W227-Y263 HydrophobicContact CE3-CG 4.1Å; W227-Y263 AromaticContact CG-CD1 3.27Å; W227-Y263 HydrophobicContact CG-CD1 3.27Å; W227-Y263 HydrophobicContact CG-CD2 4.49Å; W227-Y263 AromaticContact CG-CE1 3.62Å; W227-Y263 HydrophobicContact CG-CE1 3.62Å; W227-Y263 AromaticContact CG-CG 3.74Å; W227-Y263 HydrophobicContact CG-CG 3.74Å; W227-Y263 AromaticContact NE1-CD1 3.55Å; W227-Y263 AromaticContact NE1-CE1 3.94Å; E231-Y263 HydrophobicContact CG-CE2 3.72Å; E231-Y263 PolarHBondContact OE1-OH 3.1Å; V258-Y263 HydrophobicContact CG1-CE2 4.24Å; V259-Y263 PolarHBondContact O-N 2.75Å; Y263-K276 PolarHBondContact O-NZ 2.96Å
264	R	87.3	Confident	89.8	Confident	159 Å²	159	78.7 Å²	78.7	60%	0.6	39%	0.394	S	S	*	.			trans	-148.9	156	164.7	57.7	172.4	169.1	174.5	-5.3	108.4	N274 M275	R264-N274 WeakPolarHBondContact CD-OD1 3.38Å; R264-N274 PolarHBondContact NH1-OD1 3.37Å; R264-M275 CarbonylContact C-O 3.46Å; R264-M275 VanDerWaalsContact CA-O 3.25Å; R264-M275 WeakPolarHBondContact CA-O 3.18Å
265	S	87.3	Confident	89.4	Confident	3 Å²	3	76.8 Å²	76.8	2%	0.021	38%	0.382	C	S	.	.			trans	-68.2	147.3	173.4	68.6	0	0	0	0	110.5	T272 D273 N274 M275	S265-T272 WeakPolarHBondContact CB-O 3.18Å; S265-T272 PolarHBondContact OG-O 3.5Å; S265-D273 VanDerWaalsContact OG-C 3.28Å; S265-D273 WeakPolarHBondContact OG-CA 3.5Å; S265-N274 WeakPolarHBondContact O-CA 3.37Å; S265-N274 PolarHBondContact O-N 3.4Å; S265-N274 PolarHBondContact OG-N 3.12Å; S265-N274 VanDerWaalsContact OG-N 3.15Å; S265-M275 PolarHBondContact N-O 3.49Å; S265-M275 WeakPolarHBondContact OG-CB 3.45Å; S265-M275 PolarHBondContact OG-N 3.3Å
266	N	87.9	Confident	89.1	Confident	152 Å²	152	79.3 Å²	79.3	81%	0.813	39%	0.392	S	S	*	.			trans	-135.6	87.6	171.2	-177	3.1	0	0	0	106.4	D273	N266-D273 VanDerWaalsContact CA-OD1 3.26Å; N266-D273 WeakPolarHBondContact CA-OD1 3.27Å
267	T	87.7	Confident	88.9	Confident	54 Å²	54	78.7 Å²	78.7	33%	0.331	39%	0.387	S	S	.	.			trans	-109.5	-17.9	-177.4	66.1	0	0	0	0	111.9	W219 Q269 T272 D273	W219-T267 HydrophobicContact CH2-CG2 4.4Å; W219-T267 HydrophobicContact CZ3-CG2 3.94Å; T267-Q269 PolarHBondContact O-N 2.75Å; T267-Q269 PolarHBondContact OG1-N 2.97Å; T267-T272 WeakPolarHBondContact CB-OG1 3.43Å; T267-T272 PolarHBondContact OG1-OG1 3.21Å; T267-D273 PolarHBondContact N-OD1 3.02Å; T267-D273 WeakPolarHBondContact OG1-CA 3.34Å; T267-D273 PolarHBondContact OG1-N 3.32Å
268	G	86.5	Confident	88.6	Confident	67 Å²	67	76.6 Å²	76.6	69%	0.691	38%	0.383	S	S	*	.	S	Bend	trans	69.5	8	-171.9	0	0	0	0	0	114.4	D273	G268-D273 PolarHBondContact N-OD1 2.85Å
269	Q	87.8	Confident	88.4	Confident	122 Å²	122	76 Å²	76	57%	0.57	38%	0.38	S	S	*	.			trans	-112.5	123.9	-179.1	-62.8	175	-5.7	0	0	110.5	T267 E271 T272 D273	T267-Q269 PolarHBondContact O-N 2.75Å; T267-Q269 PolarHBondContact OG1-N 2.97Å; Q269-E271 PolarHBondContact O-N 3.35Å; Q269-T272 PolarHBondContact O-N 2.76Å; Q269-T272 PolarHBondContact OE1-OG1 3.2Å; Q269-D273 WeakPolarHBondContact O-CB 2.98Å; Q269-D273 PolarHBondContact O-N 3.14Å
270	I	84.8	Confident	88.1	Confident	170 Å²	170	77.1 Å²	77.1	87%	0.872	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-35.7	-172	-63.5	165.2	0	0	0	113.7
271	E	86.8	Confident	88.2	Confident	159 Å²	159	78.3 Å²	78.3	74%	0.743	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.8	-177.7	-59.6	-173.9	161.2	0	0	114.6	Q269 M275	Q269-E271 PolarHBondContact O-N 3.35Å; E271-M275 WeakPolarHBondContact O-CE 3.39Å
272	T	87.7	Confident	87.8	Confident	18 Å²	18	73.6 Å²	73.6	11%	0.11	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-2.6	-169.2	72.2	0	0	0	0	114	F180 W219 S265 T267 Q269 M275	F180-T272 HydrophobicContact CE1-CG2 4.09Å; F180-T272 HydrophobicContact CE2-CG2 3.74Å; F180-T272 HydrophobicContact CZ-CG2 3.47Å; F180-T272 VanDerWaalsContact CZ-CG2 3.47Å; W219-T272 VanDerWaalsContact CH2-O 3.23Å; W219-T272 WeakPolarHBondContact CH2-O 3.34Å; S265-T272 WeakPolarHBondContact CB-O 3.18Å; S265-T272 PolarHBondContact OG-O 3.5Å; T267-T272 WeakPolarHBondContact CB-OG1 3.43Å; T267-T272 PolarHBondContact OG1-OG1 3.21Å; Q269-T272 PolarHBondContact O-N 2.76Å; Q269-T272 PolarHBondContact OE1-OG1 3.2Å; T272-M275 WeakPolarHBondContact O-CG 3.26Å
273	D	87.9	Confident	87.8	Confident	36 Å²	36	68.9 Å²	68.9	19%	0.193	37%	0.366	C	S	.	.	S	Bend	trans	-90.5	153.6	-178.1	-163.5	67.7	0	0	0	112.7	S265 N266 T267 G268 Q269 M275	S265-D273 VanDerWaalsContact OG-C 3.28Å; S265-D273 WeakPolarHBondContact OG-CA 3.5Å; N266-D273 VanDerWaalsContact CA-OD1 3.26Å; N266-D273 WeakPolarHBondContact CA-OD1 3.27Å; T267-D273 PolarHBondContact N-OD1 3.02Å; T267-D273 WeakPolarHBondContact OG1-CA 3.34Å; T267-D273 PolarHBondContact OG1-N 3.32Å; G268-D273 PolarHBondContact N-OD1 2.85Å; Q269-D273 WeakPolarHBondContact O-CB 2.98Å; Q269-D273 PolarHBondContact O-N 3.14Å; D273-M275 WeakPolarHBondContact O-CE 2.87Å; D273-M275 PolarHBondContact O-N 3.36Å
274	N	87.5	Confident	87.7	Confident	82 Å²	82	69 Å²	69	44%	0.439	37%	0.373	S	S	.	.	S	Bend	trans	59	7.2	-175.9	-72.8	-84.2	0	0	0	116.9	R264 S265	R264-N274 WeakPolarHBondContact CD-OD1 3.38Å; R264-N274 PolarHBondContact NH1-OD1 3.37Å; S265-N274 WeakPolarHBondContact O-CA 3.37Å; S265-N274 PolarHBondContact O-N 3.4Å; S265-N274 PolarHBondContact OG-N 3.12Å; S265-N274 VanDerWaalsContact OG-N 3.15Å
275	M	89	Confident	87.9	Confident	17 Å²	17	62.9 Å²	62.9	8%	0.084	35%	0.352	C	S	.	.			trans	-69.5	154.8	-177.7	-57.4	-64.1	156.6	0	0	112.2	F180 K182 W219 R264 S265 E271 T272 D273	F180-M275 HydrophobicContact CB-CG 4Å; F180-M275 HydrophobicContact CB-SD 3.74Å; F180-M275 HydrophobicContact CD1-CG 4.41Å; F180-M275 HydrophobicContact CG-CG 4.38Å; K182-M275 HydrophobicContact CG-SD 4.04Å; W219-M275 HydrophobicContact CH2-CB 4.35Å; W219-M275 HydrophobicContact CZ2-CB 3.54Å; W219-M275 HydrophobicContact CZ2-CG 4.08Å; R264-M275 CarbonylContact C-O 3.46Å; R264-M275 VanDerWaalsContact CA-O 3.25Å; R264-M275 WeakPolarHBondContact CA-O 3.18Å; S265-M275 PolarHBondContact N-O 3.49Å; S265-M275 WeakPolarHBondContact OG-CB 3.45Å; S265-M275 PolarHBondContact OG-N 3.3Å; E271-M275 WeakPolarHBondContact O-CE 3.39Å; T272-M275 WeakPolarHBondContact O-CG 3.26Å; D273-M275 WeakPolarHBondContact O-CE 2.87Å; D273-M275 PolarHBondContact O-N 3.36Å
276	K	89.7	Confident	88	Confident	53 Å²	53	66 Å²	66	23%	0.23	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-102.7	178.9	-175.2	-60.3	-60.2	-62.6	-180	0	112.1	D181 W219 A260 Y263	D181-K276 HydrophobicContact CB-CB 4.29Å; D181-K276 PolarHBondContact O-N 2.74Å; W219-K276 PolarHBondContact NE1-O 2.72Å; W219-K276 VanDerWaalsContact NE1-O 3.13Å; A260-K276 WeakPolarHBondContact O-CE 3.43Å; A260-K276 PolarHBondContact O-NZ 3.38Å; Y263-K276 PolarHBondContact O-NZ 2.96Å
277	Q	88.8	Confident	88.2	Confident	3 Å²	3	59.5 Å²	59.5	1%	0.014	34%	0.336	C	S	.	.			trans	-151.7	138.3	170.5	-173.4	175.3	-45	0	0	108.2	S211 W227 V259	S211-Q277 PolarHBondContact O-NE2 2.83Å; W227-Q277 HydrophobicContact CE3-CB 3.92Å; W227-Q277 HydrophobicContact CZ3-CB 3.81Å; V259-Q277 HydrophobicContact CG1-CB 3.98Å; V259-Q277 HydrophobicContact CG1-CG 4.05Å
278	M	91	Very high	88.5	Confident	78 Å²	78	59.1 Å²	59.1	38%	0.384	33%	0.331	S	S	.	.			trans	-125.4	128.3	169.5	-178.2	56.8	-169.3	0	0	109.1	T212 V213 A256 A260	T212-M278 CarbonylContact C-O 3.6Å; T212-M278 VanDerWaalsContact CA-O 3.29Å; T212-M278 WeakPolarHBondContact CA-O 3.38Å; V213-M278 HydrophobicContact CG2-CB 4.42Å; V213-M278 PolarHBondContact N-O 2.92Å; V213-M278 VanDerWaalsContact N-O 3.08Å; A256-M278 HydrophobicContact CB-CE 4.02Å; A260-M278 HydrophobicContact CB-SD 3.95Å
279	T	89.7	Confident	88.9	Confident	9 Å²	9	56.3 Å²	56.3	6%	0.055	30%	0.3	C	S	.	.			trans	-73.5	159.9	179	59	0	0	0	0	110.8	F228 A256 V259	F228-T279 HydrophobicContact CD2-CG2 3.63Å; F228-T279 HydrophobicContact CE2-CG2 4.28Å; F228-T279 HydrophobicContact CG-CG2 4.42Å; A256-T279 WeakPolarHBondContact CA-OG1 3.34Å; A256-T279 VanDerWaalsContact CB-OG1 3.27Å; A256-T279 WeakPolarHBondContact CB-OG1 3.38Å; V259-T279 HydrophobicContact CB-CG2 4.31Å; V259-T279 HydrophobicContact CG1-CG2 4.23Å; V259-T279 HydrophobicContact CG2-CG2 4.26Å
280	S	87.1	Confident	89.2	Confident	24 Å²	24	52.8 Å²	52.8	17%	0.168	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119.3	-179.2	178.2	0	0	0	0	109.9	Y210	Y210-S280 PolarHBondContact N-O 3.06Å; Y210-S280 PolarHBondContact O-N 3.29Å
281	T	89.6	Confident	89.5	Confident	47 Å²	47	44.7 Å²	44.7	29%	0.288	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.2	175.7	-55.1	0	0	0	0	109.7	L207 V208 M249 L252	L207-T281 HydrophobicContact CD1-CG2 4.47Å; L207-T281 HydrophobicContact CD2-CG2 4.38Å; L207-T281 HydrophobicContact CG-CG2 4.2Å; V208-T281 CarbonylContact O-C 3.57Å; V208-T281 WeakPolarHBondContact O-CA 3.49Å; M249-T281 HydrophobicContact CE-CG2 4.1Å; M249-T281 HydrophobicContact SD-CG2 3.87Å; L252-T281 HydrophobicContact CD1-CG2 3.94Å
282	V	85	Confident	89.6	Confident	82 Å²	82	38.6 Å²	38.6	50%	0.497	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.2	170.5	-178.2	0	0	0	0	107.5	V208	V208-V282 PolarHBondContact N-O 3.27Å; V208-V282 PolarHBondContact O-N 3.34Å
283	S	87.5	Confident	89.4	Confident	51 Å²	51	38.1 Å²	38.1	36%	0.357	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134.6	-173.3	-178.4	0	0	0	0	111.3	L285	S283-L285 WeakPolarHBondContact OG-CB 3.1Å; S283-L285 WeakPolarHBondContact OG-CG 3.39Å; S283-L285 PolarHBondContact OG-N 2.98Å; S283-L285 VanDerWaalsContact OG-N 3.17Å
284	T	85.2	Confident	88.8	Confident	62 Å²	62	39.7 Å²	39.7	38%	0.38	22%	0.22	S	C	.	.			trans	-117.1	21.4	163.3	61.4	0	0	0	0	110.6	E203 D205 I206 T286	E203-T284 WeakPolarHBondContact O-CB 3.35Å; E203-T284 PolarHBondContact O-OG1 3.49Å; D205-T284 PolarHBondContact N-O 2.83Å; I206-T284 WeakPolarHBondContact CB-OG1 3.44Å; I206-T284 PolarHBondContact N-OG1 3.45Å; I206-T284 PolarHBondContact O-N 2.8Å; I206-T284 PolarHBondContact O-OG1 3.39Å; T284-T286 PolarHBondContact O-N 3.5Å
285	L	91.2	Very high	87.8	Confident	31 Å²	31	41.9 Å²	41.9	16%	0.162	23%	0.225	C	C	.	.			trans	-62.6	123.8	176.5	-62.2	-173.5	0	0	0	110.6	Y43 P167 L207 I248 S283 F289	Y43-L285 HydrophobicContact CE2-CB 4.42Å; Y43-L285 HydrophobicContact CE2-CD2 4.2Å; Y43-L285 VanDerWaalsContact OH-CA 3.28Å; Y43-L285 WeakPolarHBondContact OH-CA 3.28Å; Y43-L285 WeakPolarHBondContact OH-CD2 3.42Å; P167-L285 HydrophobicContact CB-CD2 3.77Å; L207-L285 HydrophobicContact CB-CD1 4.14Å; L207-L285 HydrophobicContact CB-CD2 4.17Å; L207-L285 HydrophobicContact CB-CG 4.1Å; L207-L285 HydrophobicContact CD1-CD1 3.76Å; I248-L285 HydrophobicContact CG2-CD1 4Å; S283-L285 WeakPolarHBondContact OG-CB 3.1Å; S283-L285 WeakPolarHBondContact OG-CG 3.39Å; S283-L285 PolarHBondContact OG-N 2.98Å; S283-L285 VanDerWaalsContact OG-N 3.17Å; L285-F289 HydrophobicContact CD1-CB 4.41Å
286	T	89.1	Confident	86.2	Confident	68 Å²	68	48.8 Å²	48.8	42%	0.417	28%	0.275	S	S	.	.	S	Bend	trans	-84.9	-9.1	177.9	61.4	0	0	0	0	113.7	Y43 L200 D205 T284	Y43-T286 PolarHBondContact OH-N 3.42Å; L200-T286 HydrophobicContact CD2-CG2 4.17Å; D205-T286 WeakPolarHBondContact OD1-CB 3.33Å; D205-T286 WeakPolarHBondContact OD1-CG2 3.5Å; D205-T286 PolarHBondContact OD1-N 2.82Å; D205-T286 PolarHBondContact OD1-OG1 2.91Å; T284-T286 PolarHBondContact O-N 3.5Å
287	R	92	Very high	86.1	Confident	16 Å²	16	48.6 Å²	48.6	6%	0.06	28%	0.277	C	S	.	.	S	Bend	trans	-146.8	161.2	-176	-54.6	-179.6	176	177.4	-6.4	110.2	Q21 L41 S42 Y43	Q21-R287 PolarHBondContact O-NH1 2.82Å; Q21-R287 PolarHBondContact O-NH2 2.83Å; L41-R287 HydrophobicContact CD2-CG 4.07Å; L41-R287 HydrophobicContact CG-CG 4.02Å; S42-R287 WeakPolarHBondContact O-CD 3.44Å; Y43-R287 HydrophobicContact CD1-CB 4.09Å; Y43-R287 HydrophobicContact CD1-CG 4.33Å; Y43-R287 HydrophobicContact CD2-CB 3.85Å; Y43-R287 HydrophobicContact CE1-CB 4.04Å; Y43-R287 HydrophobicContact CE1-CG 4.23Å; Y43-R287 HydrophobicContact CE2-CB 3.82Å; Y43-R287 WeakPolarHBondContact CE2-O 3.42Å; Y43-R287 HydrophobicContact CG-CB 3.99Å
288	L	94.2	Very high	85.9	Confident	47 Å²	47	50.9 Å²	50.9	25%	0.246	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-66.1	134.1	169.6	-63.9	-173.9	0	0	0	110.8	P39 L41 S42 Y43 D247 Y290	P39-L288 WeakPolarHBondContact O-CD1 3.21Å; L41-L288 PolarHBondContact O-N 3.22Å; S42-L288 VanDerWaalsContact CA-O 3.3Å; S42-L288 WeakPolarHBondContact CA-O 3.5Å; Y43-L288 WeakPolarHBondContact CD2-O 3.33Å; Y43-L288 PolarHBondContact N-O 3.4Å; D247-L288 HydrophobicContact CB-CB 4.35Å; D247-L288 HydrophobicContact CB-CD2 4.33Å; L288-Y290 HydrophobicContact CB-CE2 3.83Å; L288-Y290 HydrophobicContact CD1-CE2 4.31Å; L288-Y290 VanDerWaalsContact CD1-OH 3.3Å; L288-Y290 WeakPolarHBondContact CD1-OH 3.23Å
289	F	95.1	Very high	85.6	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.035	29%	0.286	C	S	.	.			trans	-110	114.6	173.8	179.1	-123.6	0	0	0	111.9	Y43 P167 L169 D247 I248 L285 I291	Y43-F289 HydrophobicContact CD2-CB 3.79Å; Y43-F289 HydrophobicContact CD2-CD2 4.31Å; Y43-F289 HydrophobicContact CD2-CG 4.48Å; Y43-F289 HydrophobicContact CE2-CB 4.04Å; P167-F289 HydrophobicContact CB-CB 4.28Å; P167-F289 HydrophobicContact CB-CD1 4.42Å; P167-F289 HydrophobicContact CB-CD2 4.31Å; P167-F289 HydrophobicContact CB-CG 4.08Å; P167-F289 HydrophobicContact CG-CB 4.14Å; P167-F289 HydrophobicContact CG-CD1 4.21Å; P167-F289 HydrophobicContact CG-CD2 3.37Å; P167-F289 HydrophobicContact CG-CE1 4.5Å; P167-F289 HydrophobicContact CG-CE2 3.72Å; P167-F289 HydrophobicContact CG-CG 3.63Å; P167-F289 HydrophobicContact CG-CZ 4.27Å; L169-F289 HydrophobicContact CD1-CD1 4.01Å; L169-F289 HydrophobicContact CD1-CE1 3.7Å; L169-F289 HydrophobicContact CD1-CZ 4.42Å; L169-F289 HydrophobicContact CD2-CD1 3.95Å; L169-F289 HydrophobicContact CD2-CE1 3.81Å; L169-F289 HydrophobicContact CG-CE1 4.42Å; D247-F289 CarbonylContact C-O 3.6Å; D247-F289 WeakPolarHBondContact CA-O 3.44Å; I248-F289 HydrophobicContact CB-CD1 4.25Å; I248-F289 HydrophobicContact CG2-CB 4.01Å; I248-F289 HydrophobicContact CG2-CD1 4.13Å; I248-F289 PolarHBondContact N-O 2.8Å; L285-F289 HydrophobicContact CD1-CB 4.41Å; F289-I291 HydrophobicContact CD1-CB 4.18Å; F289-I291 HydrophobicContact CE1-CB 3.64Å; F289-I291 HydrophobicContact CE1-CD1 4.13Å; F289-I291 HydrophobicContact CE1-CG1 3.72Å; F289-I291 HydrophobicContact CZ-CB 4.18Å; F289-I291 HydrophobicContact CZ-CG1 4.15Å; F289-I291 PolarHBondContact O-N 3.07Å
290	Y	93.6	Very high	85.4	Confident	47 Å²	47	51.8 Å²	51.8	18%	0.184	30%	0.3	C	S	.	.			trans	-92.7	95.1	175.2	-64.3	-81	0	0	0	109.8	R56 H245 D247 L288 N292 G293 L294	R56-Y290 PolarHBondContact NH2-O 2.99Å; H245-Y290 WeakPolarHBondContact O-CD1 3.5Å; H245-Y290 WeakPolarHBondContact O-CE1 3.39Å; D247-Y290 HydrophobicContact CB-CD1 4.29Å; D247-Y290 HydrophobicContact CB-CE1 4Å; L288-Y290 HydrophobicContact CB-CE2 3.83Å; L288-Y290 HydrophobicContact CD1-CE2 4.31Å; L288-Y290 VanDerWaalsContact CD1-OH 3.3Å; L288-Y290 WeakPolarHBondContact CD1-OH 3.23Å; Y290-N292 PolarHBondContact O-N 2.83Å; Y290-G293 WeakPolarHBondContact CB-O 3.4Å; Y290-G293 WeakPolarHBondContact O-CA 3.45Å; Y290-G293 PolarHBondContact O-N 3.05Å; Y290-L294 HydrophobicContact CD2-CD2 3.39Å; Y290-L294 HydrophobicContact CD2-CG 4.5Å; Y290-L294 HydrophobicContact CE2-CD2 3.81Å; Y290-L294 HydrophobicContact CG-CD2 3.93Å
291	I	92.7	Very high	85.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.4	-174.5	-165.4	165.4	0	0	0	113.1	R56 F90 L93 Y95 I127 L169 L236 I248 L251 F289 G293	R56-I291 PolarHBondContact NH1-O 3.05Å; F90-I291 HydrophobicContact CE1-CD1 4.03Å; L93-I291 HydrophobicContact CD1-CG1 4.45Å; Y95-I291 HydrophobicContact CE2-CG1 4.49Å; I127-I291 HydrophobicContact CD1-CD1 4.06Å; L169-I291 HydrophobicContact CD2-CD1 4.13Å; L236-I291 HydrophobicContact CD2-CD1 4.06Å; L236-I291 HydrophobicContact CD2-CG2 3.49Å; L236-I291 VanDerWaalsContact CD2-CG2 3.49Å; I248-I291 HydrophobicContact CD1-CD1 4.14Å; I248-I291 HydrophobicContact CD1-CG2 4.29Å; L251-I291 HydrophobicContact CD1-CG2 3.94Å; F289-I291 HydrophobicContact CD1-CB 4.18Å; F289-I291 HydrophobicContact CE1-CB 3.64Å; F289-I291 HydrophobicContact CE1-CD1 4.13Å; F289-I291 HydrophobicContact CE1-CG1 3.72Å; F289-I291 HydrophobicContact CZ-CB 4.18Å; F289-I291 HydrophobicContact CZ-CG1 4.15Å; F289-I291 PolarHBondContact O-N 3.07Å; I291-G293 VanDerWaalsContact C-N 3.31Å
292	N	87.6	Confident	85	Confident	30 Å²	30	54 Å²	54	16%	0.16	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	8.5	170.1	-169.4	32.1	0	0	0	113.1	L93 D239 M240 H245 Y290	L93-N292 HydrophobicContact CD2-CB 4.29Å; D239-N292 WeakPolarHBondContact OD2-CB 3.34Å; D239-N292 PolarHBondContact OD2-ND2 2.72Å; D239-N292 VanDerWaalsContact OD2-ND2 3.13Å; M240-N292 WeakPolarHBondContact CA-ND2 3.46Å; H245-N292 PolarHBondContact CE1-O 3.43Å; H245-N292 PolarHBondContact ND1-O 2.93Å; Y290-N292 PolarHBondContact O-N 2.83Å
293	G	83.6	Confident	85	Confident	8 Å²	8	52 Å²	52	8%	0.082	30%	0.296	C	S	.	.			trans	81.9	175.9	-178.8	0	0	0	0	0	112.5	H245 Y290 I291	H245-G293 PolarHBondContact ND1-O 2.8Å; Y290-G293 WeakPolarHBondContact CB-O 3.4Å; Y290-G293 WeakPolarHBondContact O-CA 3.45Å; Y290-G293 PolarHBondContact O-N 3.05Å; I291-G293 VanDerWaalsContact C-N 3.31Å
294	L	75.6	Confident	84.8	Confident	69 Å²	69	52.1 Å²	52.1	36%	0.361	29%	0.291	S	S	.	.			trans	-82.1	153.7	174.6	-66.2	171.4	0	0	0	110.8	V45 Y290	V45-L294 HydrophobicContact CG2-CB 4.48Å; V45-L294 HydrophobicContact CG2-CD1 4.17Å; V45-L294 HydrophobicContact CG2-CG 4.1Å; Y290-L294 HydrophobicContact CD2-CD2 3.39Å; Y290-L294 HydrophobicContact CD2-CG 4.5Å; Y290-L294 HydrophobicContact CE2-CD2 3.81Å; Y290-L294 HydrophobicContact CG-CD2 3.93Å
295	K	66	Low	84.8	Confident	128 Å²	128	51.3 Å²	51.3	56%	0.557	28%	0.284	S	S	*	.			trans	-63	136	164.4	-78.4	173.1	169.5	162.3	0	109.7	A243 N244 H245	A243-K295 WeakPolarHBondContact O-CE 3.22Å; A243-K295 PolarHBondContact O-NZ 2.77Å; N244-K295 VanDerWaalsContact O-CE 3.25Å; N244-K295 WeakPolarHBondContact O-CE 3.43Å; N244-K295 PolarHBondContact O-NZ 2.67Å; H245-K295 HydrophobicContact CB-CD 4.47Å; H245-K295 HydrophobicContact CB-CG 3.99Å; H245-K295 VanDerWaalsContact CD2-CG 3.48Å; H245-K295 WeakPolarHBondContact CD2-CG 3.5Å
296	S	56.7	Low	84.2	Confident	162 Å²	162	53.1 Å²	53.1	100%	1.133	30%	0.295	S	S	*	.			trans	-75.8	0	175.8	59.1	0	0	0	0	112.3

Retrieved 296 of 296 residues in 88.6 ms (Link to these results)

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