A0A087YDP9_POEFO Loading...

72 kDa type IV collagenase

AlphaFold DB , UniProt , Accession A0A087YDP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 658 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	35.1	Very low	250 Å²	250	163 Å²	163	100%	1.232	85%	0.845	S	S	*	*				0	88.3	0	-61.7	177.3	-161.5	0	0	106
2	G	30.9	Very low	35	Very low	67 Å²	67	160.4 Å²	160.4	69%	0.691	84%	0.841	S	S	*	*				85.6	79.2	102.7	0	0	0	0	0	110.7
3	F	30.1	Very low	35.1	Very low	208 Å²	208	161.2 Å²	161.2	91%	0.912	84%	0.844	S	S	*	*				66.2	151.3	106.1	-83.5	-79.2	0	0	0	115.1
4	P	52.8	Low	35.1	Very low	97 Å²	97	160.9 Å²	160.9	63%	0.63	84%	0.842	S	S	*	*				-149.1	-168.6	-52.3	40.2	-18.7	0	0	0	115.6
5	T	33.9	Very low	35.2	Very low	119 Å²	119	163.3 Å²	163.3	73%	0.73	84%	0.843	S	S	*	*			trans	84.7	102.4	141.8	48.9	0	0	0	0	123.7
6	I	39.9	Very low	35.4	Very low	160 Å²	160	161.9 Å²	161.9	82%	0.821	84%	0.844	S	S	*	*				15.9	124.9	114.7	-60.2	164.4	0	0	0	118.5
7	S	29.6	Very low	35.2	Very low	111 Å²	111	164.9 Å²	164.9	78%	0.776	85%	0.849	S	S	*	*				-170	104.1	124.8	-160.9	0	0	0	0	110.2
8	R	33.5	Very low	35.2	Very low	235 Å²	235	165.2 Å²	165.2	89%	0.887	85%	0.851	S	S	*	*				45.9	108.2	103.4	-107.6	-174.8	179.9	-164.5	0.8	115.2
9	C	29.6	Very low	35.2	Very low	136 Å²	136	164.7 Å²	164.7	92%	0.919	85%	0.849	S	S	*	*				-165.2	138.8	113.4	-126.1	0	0	0	0	113.1
10	H	32.9	Very low	35.2	Very low	175 Å²	175	165.8 Å²	165.8	81%	0.81	85%	0.85	S	S	*	*			trans	-83.4	161.1	-179.5	-110	19.5	0	0	0	111.7
11	R	36.4	Very low	35.1	Very low	235 Å²	235	167.9 Å²	167.9	89%	0.887	85%	0.854	S	S	*	*			trans	72.4	103.9	163.7	-69.9	173.7	169.1	-169.8	-3.6	116.2
12	V	33.9	Very low	35.1	Very low	132 Å²	132	163 Å²	163	80%	0.8	83%	0.831	S	S	*	*				-177.5	89.6	109.5	173.4	0	0	0	0	106.2
13	I	36.1	Very low	35.3	Very low	171 Å²	171	163.1 Å²	163.1	88%	0.877	83%	0.826	S	S	*	*			trans	-126.8	75.8	166.5	-57.8	176.7	0	0	0	106.1
14	L	35.1	Very low	35.5	Very low	156 Å²	156	163.1 Å²	163.1	82%	0.817	83%	0.826	S	S	*	*	S	Bend	trans	-176.4	124.4	161.5	-130.8	74.6	0	0	0	105.5
15	K	37.2	Very low	34.4	Very low	198 Å²	198	166.3 Å²	166.3	86%	0.861	83%	0.832	S	S	*	*	S	Bend	trans	99.4	57.1	-177.1	-56.8	-176.5	172.4	-172.3	0	117.6
16	V	37.2	Very low	34.3	Very low	140 Å²	140	163.7 Å²	163.7	85%	0.848	82%	0.823	S	S	*	*	S	Bend	trans	-150.8	41.8	144.2	-159.2	0	0	0	0	111.2
17	F	33.2	Very low	33.9	Very low	214 Å²	214	162.2 Å²	162.2	94%	0.939	82%	0.821	S	S	*	*	S	Bend	trans	-137.9	41	173.6	-100.6	-77.2	0	0	0	111
18	L	34.2	Very low	34	Very low	169 Å²	169	163.8 Å²	163.8	89%	0.885	82%	0.821	S	S	*	*	S	Bend	trans	-147.7	37.3	177	-138.3	110.4	0	0	0	112.6
19	L	35.8	Very low	34.1	Very low	156 Å²	156	156.9 Å²	156.9	82%	0.817	81%	0.814	S	S	*	*	S	Bend	trans	-151.8	31.7	178	-106.1	158.5	0	0	0	113.1
20	Q	35.8	Very low	34.6	Very low	186 Å²	186	161 Å²	161	87%	0.869	81%	0.81	S	S	*	*	S	Bend	trans	-140.8	59	165.5	-80.6	-169	-26.3	0	0	109.9
21	F	33.1	Very low	35.6	Very low	210 Å²	210	158 Å²	158	92%	0.921	81%	0.807	S	S	*	*			trans	-143.6	56.9	156.4	-102.7	-83.2	0	0	0	106.3	A23	F21-A23 VanDerWaalsContact C-N 3.33Å; F21-A23 PolarHBondContact O-N 3.32Å
22	I	37.1	Very low	36.6	Very low	149 Å²	149	150 Å²	150	76%	0.764	79%	0.786	S	S	*	*			trans	-73.4	105.2	153.9	-65.2	176.4	0	0	0	103.3	F24	I22-F24 PolarHBondContact O-N 2.91Å
23	A	34.7	Very low	38.6	Very low	69 Å²	69	147.3 Å²	147.3	57%	0.57	77%	0.772	S	S	*	*			trans	-48.4	114.3	170.2	0	0	0	0	0	108	F21 Q25	F21-A23 VanDerWaalsContact C-N 3.33Å; F21-A23 PolarHBondContact O-N 3.32Å; A23-Q25 HydrophobicContact CB-CG 4.25Å; A23-Q25 PolarHBondContact O-N 3.28Å
24	F	32.9	Very low	40.6	Very low	208 Å²	208	145.2 Å²	145.2	91%	0.912	76%	0.761	S	S	*	*			trans	-62.6	80.4	145.8	-108.9	-95.4	0	0	0	105.3	I22 A26	I22-F24 PolarHBondContact O-N 2.91Å; F24-A26 PolarHBondContact O-N 3.07Å
25	Q	31	Very low	42.8	Very low	164 Å²	164	140.1 Å²	140.1	77%	0.766	73%	0.734	S	S	*	*			trans	-67.7	89.3	147.5	-76.4	-171.3	-13.2	0	0	103.9	A23 T27	A23-Q25 HydrophobicContact CB-CG 4.25Å; A23-Q25 PolarHBondContact O-N 3.28Å; Q25-T27 PolarHBondContact O-N 2.96Å
26	A	31.9	Very low	44.9	Very low	64 Å²	64	140.3 Å²	140.3	53%	0.529	73%	0.729	S	S	.	*			trans	-51	108.6	143.9	0	0	0	0	0	104.3	F24 N28	F24-A26 PolarHBondContact O-N 3.07Å; A26-N28 PolarHBondContact O-N 2.86Å
27	T	31.4	Very low	47	Very low	129 Å²	129	134 Å²	134	79%	0.791	69%	0.69	S	S	*	*			trans	-61.4	80	159.1	47.4	0	0	0	0	105.1	Q25 A29	Q25-T27 PolarHBondContact O-N 2.96Å; T27-A29 PolarHBondContact O-N 3.43Å
28	N	30.8	Very low	49.3	Very low	143 Å²	143	126 Å²	126	77%	0.765	66%	0.66	S	S	*	*			trans	-59.4	100.5	156.4	-77.7	-45.4	0	0	0	103.1	A26 R30	A26-N28 PolarHBondContact O-N 2.86Å; N28-R30 PolarHBondContact O-N 3.25Å
29	A	36.4	Very low	51.1	Low	90 Å²	90	121.8 Å²	121.8	74%	0.744	66%	0.657	S	S	*	*			trans	-47.4	111.8	162.6	0	0	0	0	0	105	T27	T27-A29 PolarHBondContact O-N 3.43Å
30	R	40.3	Very low	52.8	Low	222 Å²	222	117 Å²	117	84%	0.838	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-56.3	126.4	175.4	-172.1	-175.8	-89.5	178	-6.2	104.4	N28 S32	N28-R30 PolarHBondContact O-N 3.25Å; R30-S32 PolarHBondContact O-N 3.29Å
31	P	53.9	Low	54.1	Low	114 Å²	114	114.5 Å²	114.5	74%	0.74	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-55	117.8	-179.5	18.6	-28.9	0	0	0	107.6
32	S	57.4	Low	55.5	Low	66 Å²	66	109.1 Å²	109.1	46%	0.462	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-57	124.1	-177.3	-56.9	0	0	0	0	107.7	R30 I34	R30-S32 PolarHBondContact O-N 3.29Å; S32-I34 PolarHBondContact O-N 2.93Å
33	P	75.9	Confident	56.9	Low	76 Å²	76	106.6 Å²	106.6	49%	0.494	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-63.3	128.7	-179.6	26.5	-33.7	0	0	0	108.8	I35 L356 G367	P33-I35 PolarHBondContact O-N 3.48Å; P33-L356 HydrophobicContact CG-CD1 3.54Å; P33-G367 WeakPolarHBondContact O-CA 3.44Å
34	I	77.4	Confident	58.7	Low	126 Å²	126	109.2 Å²	109.2	65%	0.646	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-71.9	121.4	174.6	-60.1	166.6	0	0	0	107.5	S32	S32-I34 PolarHBondContact O-N 2.93Å
35	I	81.7	Confident	61.1	Low	49 Å²	49	103 Å²	103	25%	0.251	58%	0.577	S	S	.	*			trans	-115.9	166.5	178.3	65.9	155.9	0	0	0	110.3	P33 F37 F355 L356 G367 Y381	P33-I35 PolarHBondContact O-N 3.48Å; I35-F37 HydrophobicContact CD1-CE1 4.21Å; I35-F37 HydrophobicContact CD1-CE2 4.04Å; I35-F37 HydrophobicContact CD1-CZ 3.87Å; I35-F37 HydrophobicContact CG1-CD2 4.28Å; I35-F37 HydrophobicContact CG1-CE2 3.76Å; I35-F37 HydrophobicContact CG1-CZ 4.05Å; I35-F355 HydrophobicContact CD1-CE2 3.37Å; I35-F355 HydrophobicContact CD1-CZ 3.43Å; I35-F355 VanDerWaalsContact CD1-CZ 3.43Å; I35-F355 HydrophobicContact CG1-CE2 4.39Å; I35-F355 HydrophobicContact CG1-CZ 3.96Å; I35-L356 HydrophobicContact CG2-CD1 4.43Å; I35-G367 PolarHBondContact N-O 2.9Å; I35-Y381 HydrophobicContact CD1-CE1 4.25Å
36	R	80.5	Confident	63.5	Low	203 Å²	203	99 Å²	99	77%	0.766	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-101.1	122.3	171.4	-68.3	-172.8	-178.7	-162.3	-1.8	109.4
37	F	82.4	Confident	65.9	Low	7 Å²	7	102.4 Å²	102.4	3%	0.031	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-79.5	142.3	175.1	-72.4	-94.2	0	0	0	110.6	I35 G39 D40 F355 R368 W374 Y381 W387	I35-F37 HydrophobicContact CD1-CE1 4.21Å; I35-F37 HydrophobicContact CD1-CE2 4.04Å; I35-F37 HydrophobicContact CD1-CZ 3.87Å; I35-F37 HydrophobicContact CG1-CD2 4.28Å; I35-F37 HydrophobicContact CG1-CE2 3.76Å; I35-F37 HydrophobicContact CG1-CZ 4.05Å; F37-G39 PolarHBondContact O-N 3.12Å; F37-D40 HydrophobicContact CB-CB 4.03Å; F37-D40 WeakPolarHBondContact O-CB 3.33Å; F37-D40 PolarHBondContact O-N 2.8Å; F37-F355 HydrophobicContact CZ-CE2 4.37Å; F37-F355 HydrophobicContact CZ-CZ 4.19Å; F37-R368 HydrophobicContact CD2-CG 4.15Å; F37-R368 HydrophobicContact CE2-CG 3.54Å; F37-R368 HydrophobicContact CZ-CG 4.28Å; F37-W374 AromaticContact CE1-CD2 3.69Å; F37-W374 HydrophobicContact CE1-CD2 3.69Å; F37-W374 AromaticContact CE1-CE2 3.44Å; F37-W374 VanDerWaalsContact CE1-CE2 3.44Å; F37-W374 AromaticContact CE1-CE3 3.86Å; F37-W374 HydrophobicContact CE1-CE3 3.86Å; F37-W374 HydrophobicContact CE1-CG 4.44Å; F37-W374 AromaticContact CE1-CH2 3.65Å; F37-W374 HydrophobicContact CE1-CH2 3.65Å; F37-W374 AromaticContact CE1-CZ2 3.44Å; F37-W374 HydrophobicContact CE1-CZ2 3.44Å; F37-W374 VanDerWaalsContact CE1-CZ2 3.44Å; F37-W374 AromaticContact CE1-CZ3 3.85Å; F37-W374 HydrophobicContact CE1-CZ3 3.85Å; F37-W374 AromaticContact CE1-NE1 4Å; F37-W374 AromaticContact CZ-CD2 3.92Å; F37-W374 HydrophobicContact CZ-CD2 3.92Å; F37-W374 AromaticContact CZ-CE2 3.29Å; F37-W374 HydrophobicContact CZ-CG 4.42Å; F37-W374 HydrophobicContact CZ-CH2 4.14Å; F37-W374 AromaticContact CZ-CZ2 3.44Å; F37-W374 HydrophobicContact CZ-CZ2 3.44Å; F37-W374 VanDerWaalsContact CZ-CZ2 3.44Å; F37-W374 AromaticContact CZ-NE1 3.41Å; F37-Y381 AromaticContact CD1-CE2 3.94Å; F37-Y381 HydrophobicContact CD1-CE2 3.94Å; F37-Y381 AromaticContact CD1-CZ 3.75Å; F37-Y381 WeakPolarHBondContact CD1-OH 3.38Å; F37-Y381 HydrophobicContact CE1-CE1 4.49Å; F37-Y381 AromaticContact CE1-CE2 3.96Å; F37-Y381 HydrophobicContact CE1-CE2 3.96Å; F37-Y381 AromaticContact CE1-CZ 3.77Å; F37-W387 HydrophobicContact CB-CD2 4.21Å; F37-W387 VanDerWaalsContact CB-CE2 3.45Å; F37-W387 HydrophobicContact CB-CH2 3.9Å; F37-W387 HydrophobicContact CB-CZ2 3.28Å; F37-W387 AromaticContact CD1-CD2 3.54Å; F37-W387 HydrophobicContact CD1-CD2 3.54Å; F37-W387 AromaticContact CD1-CE2 3.69Å; F37-W387 AromaticContact CD1-CE3 3.9Å; F37-W387 HydrophobicContact CD1-CE3 3.9Å; F37-W387 AromaticContact CD1-CG 3.88Å; F37-W387 HydrophobicContact CD1-CG 3.88Å; F37-W387 HydrophobicContact CD1-CH2 4.45Å; F37-W387 HydrophobicContact CD1-CZ2 4.16Å; F37-W387 HydrophobicContact CD1-CZ3 4.33Å; F37-W387 HydrophobicContact CE1-CD2 4.32Å; F37-W387 HydrophobicContact CE1-CE3 4.4Å; F37-W387 HydrophobicContact CG-CD2 4.15Å; F37-W387 AromaticContact CG-CE2 3.89Å; F37-W387 HydrophobicContact CG-CE3 4.4Å; F37-W387 HydrophobicContact CG-CH2 4.16Å; F37-W387 AromaticContact CG-CZ2 3.91Å; F37-W387 HydrophobicContact CG-CZ2 3.91Å; F37-W387 HydrophobicContact CG-CZ3 4.4Å
38	P	81.4	Confident	68.4	Low	46 Å²	46	101 Å²	101	30%	0.299	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	129.9	174.4	-17.9	29.7	0	0	0	111	D40 Y381 R385 W387	P38-D40 VanDerWaalsContact C-N 3.34Å; P38-Y381 VanDerWaalsContact CD-OH 3.29Å; P38-Y381 WeakPolarHBondContact CD-OH 3.48Å; P38-R385 HydrophobicContact CG-CB 4.23Å; P38-W387 PolarHBondContact O-NE1 2.99Å
39	G	71.9	Confident	71	Confident	80 Å²	80	95.5 Å²	95.5	83%	0.825	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-1	-179.4	0	0	0	0	0	114.7	F37	F37-G39 PolarHBondContact O-N 3.12Å
40	D	70.1	Confident	73.4	Confident	57 Å²	57	91.2 Å²	91.2	31%	0.305	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-87.3	136.8	178.6	-156.7	17.3	0	0	0	111	F37 P38 R368 W387	F37-D40 HydrophobicContact CB-CB 4.03Å; F37-D40 WeakPolarHBondContact O-CB 3.33Å; F37-D40 PolarHBondContact O-N 2.8Å; P38-D40 VanDerWaalsContact C-N 3.34Å; D40-R368 IonicContact OD1-NH2 2.73Å; D40-R368 PolarHBondContact OD1-NH2 3.36Å; D40-R368 IonicContact OD2-CZ 2.66Å; D40-R368 IonicContact OD2-NH1 2.82Å; D40-R368 PolarHBondContact OD2-NH1 3.4Å; D40-R368 IonicContact OD2-NH2 2.93Å; D40-R368 PolarHBondContact OD2-NH2 3.05Å; D40-W387 HydrophobicContact CB-CZ2 4.26Å
41	D	63.8	Low	75.4	Confident	132 Å²	132	83.5 Å²	83.5	71%	0.706	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-67	150.1	177.7	-88.1	-30.6	0	0	0	111.8	P43	D41-P43 WeakPolarHBondContact O-CD 3.08Å
42	T	63	Low	76.9	Confident	97 Å²	97	81.2 Å²	81.2	60%	0.595	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-62.9	125.8	177.5	51.3	0	0	0	0	110.2	R44	T42-R44 PolarHBondContact O-N 2.81Å
43	P	65.8	Low	78.4	Confident	96 Å²	96	78.5 Å²	78.5	62%	0.623	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-57.3	118.2	177.4	-22.6	31	0	0	0	110.1	D41	D41-P43 WeakPolarHBondContact O-CD 3.08Å
44	R	73.3	Confident	79	Confident	125 Å²	125	74.9 Å²	74.9	47%	0.472	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-71.1	138.4	176.1	-65.8	-176.3	-173.8	175	6.1	109.2	T42 E48 V49 H52	T42-R44 PolarHBondContact O-N 2.81Å; R44-E48 HydrophobicContact CB-CB 4.13Å; R44-V49 HydrophobicContact CB-CG2 3.76Å; R44-H52 PolarHBondContact NH1-CD2 3.41Å; R44-H52 VanDerWaalsContact NH1-CG 3.29Å; R44-H52 PolarHBondContact NH1-NE2 3.45Å
45	T	82.3	Confident	79.3	Confident	76 Å²	76	71.4 Å²	71.4	47%	0.466	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-66.2	154.7	171.2	61.5	0	0	0	0	110.4	K47 E48 V49	T45-K47 PolarHBondContact O-N 3.31Å; T45-E48 PolarHBondContact N-OE2 3.16Å; T45-E48 WeakPolarHBondContact O-CA 3.25Å; T45-E48 WeakPolarHBondContact O-CB 3.44Å; T45-E48 PolarHBondContact O-N 3.12Å; T45-E48 VanDerWaalsContact OG1-CG 3.25Å; T45-E48 WeakPolarHBondContact OG1-CG 3.44Å; T45-E48 PolarHBondContact OG1-N 2.93Å; T45-E48 PolarHBondContact OG1-OE2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.16Å; T45-V49 PolarHBondContact O-N 2.78Å
46	D	82.6	Confident	79.5	Confident	82 Å²	82	72.1 Å²	72.1	44%	0.439	38%	0.379	S	S	.	.	H	α-helix	trans	-54.2	-33.1	179.1	-65.7	-20.2	0	0	0	112.8	A50 V94 K98	D46-A50 WeakPolarHBondContact O-CB 3.16Å; D46-A50 PolarHBondContact O-N 2.94Å; D46-V94 HydrophobicContact CB-CG1 4.05Å; D46-V94 HydrophobicContact CB-CG2 4.11Å; D46-K98 IonicContact OD1-NZ 3.95Å; D46-K98 PolarHBondContact OD1-NZ 2.86Å
47	K	82.4	Confident	79.8	Confident	134 Å²	134	62.8 Å²	62.8	58%	0.583	34%	0.344	S	S	*	.	H	α-helix	trans	-69.2	-40.9	175.1	-171.9	179.6	178.9	-175.9	0	112.6	T45 L51 I89	T45-K47 PolarHBondContact O-N 3.31Å; K47-L51 HydrophobicContact CG-CD1 4.11Å; K47-L51 WeakPolarHBondContact O-CB 3.3Å; K47-L51 VanDerWaalsContact O-CG 3.24Å; K47-L51 WeakPolarHBondContact O-CG 3.23Å; K47-L51 PolarHBondContact O-N 2.87Å; K47-I89 HydrophobicContact CG-CD1 4.35Å
48	E	84.3	Confident	80	Confident	101 Å²	101	63.3 Å²	63.3	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-67.8	-41	176.9	-73.7	161.6	165.1	0	0	111.2	R44 T45 L51 H52	R44-E48 HydrophobicContact CB-CB 4.13Å; T45-E48 PolarHBondContact N-OE2 3.16Å; T45-E48 WeakPolarHBondContact O-CA 3.25Å; T45-E48 WeakPolarHBondContact O-CB 3.44Å; T45-E48 PolarHBondContact O-N 3.12Å; T45-E48 VanDerWaalsContact OG1-CG 3.25Å; T45-E48 WeakPolarHBondContact OG1-CG 3.44Å; T45-E48 PolarHBondContact OG1-N 2.93Å; T45-E48 PolarHBondContact OG1-OE2 3.27Å; E48-L51 PolarHBondContact O-N 2.79Å; E48-H52 VanDerWaalsContact O-CB 3.29Å; E48-H52 WeakPolarHBondContact O-CB 3.35Å; E48-H52 PolarHBondContact O-N 2.98Å
49	V	84.8	Confident	79.8	Confident	27 Å²	27	63.2 Å²	63.2	16%	0.164	35%	0.354	C	S	.	.	H	α-helix	trans	-56.6	-52.8	173	174.6	0	0	0	0	109.9	R44 T45 L51 H52 Y53 M97 K98	R44-V49 HydrophobicContact CB-CG2 3.76Å; T45-V49 WeakPolarHBondContact O-CG2 3.16Å; T45-V49 PolarHBondContact O-N 2.78Å; V49-L51 PolarHBondContact O-N 3.31Å; V49-H52 PolarHBondContact O-N 3.36Å; V49-Y53 VanDerWaalsContact O-CB 3.29Å; V49-Y53 WeakPolarHBondContact O-CB 3.43Å; V49-Y53 PolarHBondContact O-N 3.04Å; V49-M97 HydrophobicContact CG1-CB 4.32Å; V49-K98 HydrophobicContact CG1-CG 4.26Å
50	A	85.7	Confident	79.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-44	-179.6	0	0	0	0	0	112.8	D46 Y53 L54 I89 M97	D46-A50 WeakPolarHBondContact O-CB 3.16Å; D46-A50 PolarHBondContact O-N 2.94Å; A50-Y53 PolarHBondContact O-N 2.83Å; A50-L54 WeakPolarHBondContact O-CB 3.33Å; A50-L54 WeakPolarHBondContact O-CG 3.24Å; A50-L54 PolarHBondContact O-N 2.9Å; A50-I89 HydrophobicContact CB-CD1 3.83Å; A50-I89 HydrophobicContact CB-CG1 4.21Å; A50-I89 HydrophobicContact CB-CG2 4.2Å; A50-M97 VanDerWaalsContact CA-SD 3.59Å; A50-M97 HydrophobicContact CB-CE 4.46Å; A50-M97 HydrophobicContact CB-SD 3.73Å
51	L	83.8	Confident	79.5	Confident	60 Å²	60	59.8 Å²	59.8	31%	0.314	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-40.8	178.7	-73.1	171.6	0	0	0	112.2	K47 E48 V49 N55 L70	K47-L51 HydrophobicContact CG-CD1 4.11Å; K47-L51 WeakPolarHBondContact O-CB 3.3Å; K47-L51 VanDerWaalsContact O-CG 3.24Å; K47-L51 WeakPolarHBondContact O-CG 3.23Å; K47-L51 PolarHBondContact O-N 2.87Å; E48-L51 PolarHBondContact O-N 2.79Å; V49-L51 PolarHBondContact O-N 3.31Å; L51-N55 WeakPolarHBondContact O-CB 3.42Å; L51-N55 PolarHBondContact O-N 2.73Å; L51-N55 VanDerWaalsContact O-N 3.07Å; L51-L70 HydrophobicContact CD2-CD1 3.79Å; L51-L70 HydrophobicContact CD2-CD2 4.27Å
52	H	85.3	Confident	79.3	Confident	65 Å²	65	61 Å²	61	30%	0.301	32%	0.321	S	S	.	.	H	α-helix	trans	-64.6	-45.8	176.5	-173	78.9	0	0	0	111.3	R44 E48 V49 N55 K56	R44-H52 PolarHBondContact NH1-CD2 3.41Å; R44-H52 VanDerWaalsContact NH1-CG 3.29Å; R44-H52 PolarHBondContact NH1-NE2 3.45Å; E48-H52 VanDerWaalsContact O-CB 3.29Å; E48-H52 WeakPolarHBondContact O-CB 3.35Å; E48-H52 PolarHBondContact O-N 2.98Å; V49-H52 PolarHBondContact O-N 3.36Å; H52-N55 PolarHBondContact O-N 2.67Å; H52-K56 PolarHBondContact O-N 3.05Å
53	Y	88.6	Confident	79.1	Confident	10 Å²	10	63.9 Å²	63.9	4%	0.039	33%	0.333	C	S	.	.	H	α-helix	trans	-58.7	-50.2	178.3	-167.5	-80.7	0	0	0	111.9	V49 A50 N55 K56 F57 Y58 M77 M97 R101	V49-Y53 VanDerWaalsContact O-CB 3.29Å; V49-Y53 WeakPolarHBondContact O-CB 3.43Å; V49-Y53 PolarHBondContact O-N 3.04Å; A50-Y53 PolarHBondContact O-N 2.83Å; Y53-N55 VanDerWaalsContact C-N 3.3Å; Y53-N55 PolarHBondContact O-N 3.42Å; Y53-K56 PolarHBondContact O-N 2.67Å; Y53-F57 AromaticContact CD1-CD2 3.71Å; Y53-F57 HydrophobicContact CD1-CD2 3.71Å; Y53-F57 HydrophobicContact CD1-CE2 4.39Å; Y53-F57 AromaticContact CD2-CD2 3.8Å; Y53-F57 HydrophobicContact CD2-CD2 3.8Å; Y53-F57 AromaticContact CD2-CE2 3.63Å; Y53-F57 HydrophobicContact CD2-CE2 3.63Å; Y53-F57 AromaticContact CE1-CD2 3.72Å; Y53-F57 HydrophobicContact CE1-CD2 3.72Å; Y53-F57 HydrophobicContact CE1-CE2 4.39Å; Y53-F57 HydrophobicContact CE1-CG 4.49Å; Y53-F57 AromaticContact CE2-CD2 3.82Å; Y53-F57 HydrophobicContact CE2-CD2 3.82Å; Y53-F57 AromaticContact CE2-CE2 3.62Å; Y53-F57 HydrophobicContact CE2-CE2 3.62Å; Y53-F57 AromaticContact CG-CD2 3.74Å; Y53-F57 HydrophobicContact CG-CD2 3.74Å; Y53-F57 HydrophobicContact CG-CE2 4.02Å; Y53-F57 AromaticContact CZ-CD2 3.77Å; Y53-F57 WeakPolarHBondContact O-CD2 3.44Å; Y53-F57 PolarHBondContact O-N 3.38Å; Y53-Y58 HydrophobicContact CD1-CE2 4.49Å; Y53-Y58 HydrophobicContact CE1-CE2 4Å; Y53-M77 HydrophobicContact CE1-CE 3.93Å; Y53-M77 HydrophobicContact CE1-CG 4.17Å; Y53-M97 HydrophobicContact CD1-CE 4.05Å; Y53-M97 HydrophobicContact CD1-CG 3.9Å; Y53-M97 HydrophobicContact CD1-SD 4.34Å; Y53-M97 HydrophobicContact CD2-CB 3.82Å; Y53-M97 HydrophobicContact CD2-CG 3.93Å; Y53-M97 HydrophobicContact CE1-CG 4.14Å; Y53-M97 HydrophobicContact CE2-CB 4.12Å; Y53-M97 HydrophobicContact CE2-CG 4.17Å; Y53-M97 HydrophobicContact CG-CB 4.13Å; Y53-M97 HydrophobicContact CG-CG 3.8Å; Y53-M97 HydrophobicContact CG-SD 4.25Å; Y53-R101 PolarHBondContact OH-NH1 3.19Å
54	L	87.4	Confident	78.8	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-69.2	-28.3	-179.4	-62.5	173.2	0	0	0	112.7	A50 Y58 G59 C60 L70 T73 L74 M77 M97	A50-L54 WeakPolarHBondContact O-CB 3.33Å; A50-L54 WeakPolarHBondContact O-CG 3.24Å; A50-L54 PolarHBondContact O-N 2.9Å; L54-Y58 HydrophobicContact CD2-CD2 3.92Å; L54-Y58 HydrophobicContact CD2-CG 4.34Å; L54-Y58 CarbonylContact O-C 3.59Å; L54-Y58 VanDerWaalsContact O-C 3.26Å; L54-Y58 VanDerWaalsContact O-CA 3.31Å; L54-Y58 WeakPolarHBondContact O-CA 3.34Å; L54-Y58 WeakPolarHBondContact O-CB 3.4Å; L54-Y58 PolarHBondContact O-N 3.04Å; L54-Y58 VanDerWaalsContact O-N 3.12Å; L54-G59 PolarHBondContact O-N 3.32Å; L54-G59 VanDerWaalsContact O-N 3.11Å; L54-C60 PolarHBondContact O-N 3.37Å; L54-C60 VanDerWaalsContact O-N 3.17Å; L54-L70 HydrophobicContact CD1-CD1 3.52Å; L54-T73 HydrophobicContact CB-CG2 4.23Å; L54-T73 HydrophobicContact CD2-CG2 4.06Å; L54-T73 HydrophobicContact CG-CG2 4.5Å; L54-L74 HydrophobicContact CD1-CD2 3.89Å; L54-L74 HydrophobicContact CD1-CG 3.74Å; L54-M77 HydrophobicContact CD2-CB 3.94Å; L54-M77 HydrophobicContact CD2-CG 4.2Å; L54-M97 HydrophobicContact CD2-CE 3.87Å; L54-M97 HydrophobicContact CG-CE 4.15Å
55	N	85	Confident	78.3	Confident	53 Å²	53	64.5 Å²	64.5	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-66.8	-50.6	172	-172.4	8.9	0	0	0	110.7	L51 H52 Y53 G59 C60	L51-N55 WeakPolarHBondContact O-CB 3.42Å; L51-N55 PolarHBondContact O-N 2.73Å; L51-N55 VanDerWaalsContact O-N 3.07Å; H52-N55 PolarHBondContact O-N 2.67Å; Y53-N55 VanDerWaalsContact C-N 3.3Å; Y53-N55 PolarHBondContact O-N 3.42Å; N55-G59 WeakPolarHBondContact O-CA 3.49Å; N55-G59 PolarHBondContact O-N 3.26Å; N55-G59 VanDerWaalsContact O-N 3.16Å; N55-C60 VanDerWaalsContact CA-O 3.31Å; N55-C60 WeakPolarHBondContact CA-O 3.34Å; N55-C60 VanDerWaalsContact CB-O 3.25Å; N55-C60 WeakPolarHBondContact CB-O 3.18Å; N55-C60 VanDerWaalsContact CG-O 3.26Å; N55-C60 PolarHBondContact OD1-O 3.02Å
56	K	84.8	Confident	77.6	Confident	64 Å²	64	65.1 Å²	65.1	28%	0.278	33%	0.328	S	S	.	.	H	α-helix	trans	-67.4	-48.7	-175.4	-166.7	160.3	-172.7	159.2	0	112.7	H52 Y53 P183 L190	H52-K56 PolarHBondContact O-N 3.05Å; Y53-K56 PolarHBondContact O-N 2.67Å; K56-P183 PolarHBondContact NZ-O 2.7Å; K56-L190 HydrophobicContact CD-CD1 3.95Å; K56-L190 VanDerWaalsContact CE-CD1 3.42Å
57	F	88.4	Confident	76.9	Confident	7 Å²	7	68.5 Å²	68.5	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-99.1	-21.6	-171	-54.8	-66.1	0	0	0	114.9	Y53 R101 D106 V107 L190	Y53-F57 AromaticContact CD1-CD2 3.71Å; Y53-F57 HydrophobicContact CD1-CD2 3.71Å; Y53-F57 HydrophobicContact CD1-CE2 4.39Å; Y53-F57 AromaticContact CD2-CD2 3.8Å; Y53-F57 HydrophobicContact CD2-CD2 3.8Å; Y53-F57 AromaticContact CD2-CE2 3.63Å; Y53-F57 HydrophobicContact CD2-CE2 3.63Å; Y53-F57 AromaticContact CE1-CD2 3.72Å; Y53-F57 HydrophobicContact CE1-CD2 3.72Å; Y53-F57 HydrophobicContact CE1-CE2 4.39Å; Y53-F57 HydrophobicContact CE1-CG 4.49Å; Y53-F57 AromaticContact CE2-CD2 3.82Å; Y53-F57 HydrophobicContact CE2-CD2 3.82Å; Y53-F57 AromaticContact CE2-CE2 3.62Å; Y53-F57 HydrophobicContact CE2-CE2 3.62Å; Y53-F57 AromaticContact CG-CD2 3.74Å; Y53-F57 HydrophobicContact CG-CD2 3.74Å; Y53-F57 HydrophobicContact CG-CE2 4.02Å; Y53-F57 AromaticContact CZ-CD2 3.77Å; Y53-F57 WeakPolarHBondContact O-CD2 3.44Å; Y53-F57 PolarHBondContact O-N 3.38Å; F57-R101 VanDerWaalsContact CE1-NE 3.34Å; F57-R101 HydrophobicContact CZ-CG 4.18Å; F57-D106 PolarHBondContact O-N 3.06Å; F57-V107 WeakPolarHBondContact O-CG2 3.26Å; F57-L190 HydrophobicContact CE1-CD2 4.15Å; F57-L190 HydrophobicContact CE2-CD2 4.37Å; F57-L190 HydrophobicContact CZ-CD2 3.42Å; F57-L190 VanDerWaalsContact CZ-CD2 3.42Å
58	Y	85.2	Confident	76.1	Confident	17 Å²	17	69 Å²	69	7%	0.067	35%	0.351	C	S	.	.	H	α-helix	trans	-117.4	2.3	-178	-65.8	-94.7	0	0	0	114.3	Y53 L54 C60 T73 K76 M77 D106 V107	Y53-Y58 HydrophobicContact CD1-CE2 4.49Å; Y53-Y58 HydrophobicContact CE1-CE2 4Å; L54-Y58 HydrophobicContact CD2-CD2 3.92Å; L54-Y58 HydrophobicContact CD2-CG 4.34Å; L54-Y58 CarbonylContact O-C 3.59Å; L54-Y58 VanDerWaalsContact O-C 3.26Å; L54-Y58 VanDerWaalsContact O-CA 3.31Å; L54-Y58 WeakPolarHBondContact O-CA 3.34Å; L54-Y58 WeakPolarHBondContact O-CB 3.4Å; L54-Y58 PolarHBondContact O-N 3.04Å; L54-Y58 VanDerWaalsContact O-N 3.12Å; Y58-C60 PolarHBondContact O-N 2.87Å; Y58-T73 VanDerWaalsContact CB-CG2 3.44Å; Y58-T73 HydrophobicContact CG-CG2 4.14Å; Y58-K76 HydrophobicContact CD1-CB 4.36Å; Y58-K76 HydrophobicContact CE1-CB 4.34Å; Y58-M77 HydrophobicContact CD2-CB 4.24Å; Y58-M77 HydrophobicContact CD2-CG 4.38Å; Y58-M77 HydrophobicContact CE1-CB 3.99Å; Y58-M77 HydrophobicContact CE2-CB 3.67Å; Y58-M77 HydrophobicContact CE2-CG 3.56Å; Y58-M77 WeakPolarHBondContact OH-CA 3.31Å; Y58-D106 HydrophobicContact CE1-CB 4.26Å; Y58-D106 HydrophobicContact CE2-CB 4.26Å; Y58-D106 WeakPolarHBondContact CE2-OD2 3.33Å; Y58-D106 PolarHBondContact OH-OD2 3.15Å; Y58-V107 VanDerWaalsContact CA-CG2 3.5Å; Y58-V107 HydrophobicContact CD1-CB 4.39Å; Y58-V107 HydrophobicContact CD1-CG1 3.74Å; Y58-V107 HydrophobicContact CD1-CG2 3.67Å; Y58-V107 HydrophobicContact CE1-CG1 3.79Å; Y58-V107 HydrophobicContact CE1-CG2 4.39Å; Y58-V107 HydrophobicContact CG-CG2 4.11Å
59	G	76.6	Confident	75.8	Confident	45 Å²	45	66.9 Å²	66.9	46%	0.464	35%	0.345	S	S	.	.			trans	64.4	37.4	173.2	0	0	0	0	0	113.6	L54 N55 P61	L54-G59 PolarHBondContact O-N 3.32Å; L54-G59 VanDerWaalsContact O-N 3.11Å; N55-G59 WeakPolarHBondContact O-CA 3.49Å; N55-G59 PolarHBondContact O-N 3.26Å; N55-G59 VanDerWaalsContact O-N 3.16Å; G59-P61 VanDerWaalsContact O-CD 3.23Å; G59-P61 WeakPolarHBondContact O-CD 3.41Å
60	C	70.5	Confident	75.5	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.034	34%	0.342	C	S	.	.			trans	-92.7	95.8	171.3	-148.8	0	0	0	0	110.9	L54 N55 Y58 C65 T73	L54-C60 PolarHBondContact O-N 3.37Å; L54-C60 VanDerWaalsContact O-N 3.17Å; N55-C60 VanDerWaalsContact CA-O 3.31Å; N55-C60 WeakPolarHBondContact CA-O 3.34Å; N55-C60 VanDerWaalsContact CB-O 3.25Å; N55-C60 WeakPolarHBondContact CB-O 3.18Å; N55-C60 VanDerWaalsContact CG-O 3.26Å; N55-C60 PolarHBondContact OD1-O 3.02Å; Y58-C60 PolarHBondContact O-N 2.87Å; C60-C65 HydrophobicContact CB-CB 4.14Å; C60-C65 WeakPolarHBondContact CB-SG 3.46Å; C60-C65 VanDerWaalsContact SG-CA 3.53Å; C60-C65 WeakPolarHBondContact SG-CB 3.36Å; C60-C65 CovalentContact SG-SG 2.05Å; C60-C65 PolarHBondContact SG-SG 2.89Å; C60-T73 HydrophobicContact CB-CG2 4.44Å
61	P	65.2	Low	75.4	Confident	59 Å²	59	70.8 Å²	70.8	38%	0.383	36%	0.361	S	S	.	.			trans	-67.5	143.6	-176.3	-14	30.8	0	0	0	110.3	G59 D63 R64 C65	G59-P61 VanDerWaalsContact O-CD 3.23Å; G59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-D63 PolarHBondContact O-N 2.82Å; P61-R64 PolarHBondContact O-N 3.12Å; P61-C65 PolarHBondContact O-N 1.99Å
62	Q	60.1	Low	75.4	Confident	157 Å²	157	72 Å²	72	73%	0.734	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-32.7	-178.7	-75.4	-179.9	-21	0	0	113.3
63	D	59.8	Low	75.3	Confident	158 Å²	158	69.5 Å²	69.5	85%	0.845	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-17.7	-177.3	-52.6	-31.1	0	0	0	114.4	P61	P61-D63 PolarHBondContact O-N 2.82Å
64	R	59.1	Low	75.3	Confident	204 Å²	204	69.2 Å²	69.2	77%	0.77	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-6.1	-173.4	-67.2	-170.8	-176.7	-171.3	3.1	114.2	P61 N66	P61-R64 PolarHBondContact O-N 3.12Å; R64-N66 PolarHBondContact O-N 3.39Å
65	C	62.6	Low	75.3	Confident	30 Å²	30	72.4 Å²	72.4	20%	0.203	37%	0.37	C	S	.	.			trans	-76	73.8	177.4	-141.7	0	0	0	0	110.6	C60 P61	C60-C65 HydrophobicContact CB-CB 4.14Å; C60-C65 WeakPolarHBondContact CB-SG 3.46Å; C60-C65 VanDerWaalsContact SG-CA 3.53Å; C60-C65 WeakPolarHBondContact SG-CB 3.36Å; C60-C65 CovalentContact SG-SG 2.05Å; C60-C65 PolarHBondContact SG-SG 2.89Å; P61-C65 PolarHBondContact O-N 1.99Å
66	N	67	Low	75.4	Confident	90 Å²	90	75.9 Å²	75.9	48%	0.481	38%	0.382	S	S	.	.			trans	-68	163.8	170.6	72.2	30.7	0	0	0	110.4	R64 M68 V69 L70	R64-N66 PolarHBondContact O-N 3.39Å; N66-M68 PolarHBondContact O-N 2.83Å; N66-M68 PolarHBondContact OD1-N 2.98Å; N66-M68 VanDerWaalsContact OD1-N 3.12Å; N66-V69 PolarHBondContact O-N 2.86Å; N66-V69 VanDerWaalsContact O-N 3.16Å; N66-V69 WeakPolarHBondContact OD1-CB 3.33Å; N66-V69 WeakPolarHBondContact OD1-CG2 3.46Å; N66-V69 PolarHBondContact OD1-N 3.1Å; N66-L70 WeakPolarHBondContact O-CB 3.27Å; N66-L70 PolarHBondContact O-N 2.83Å
67	L	67.8	Low	75.7	Confident	153 Å²	153	72.9 Å²	72.9	80%	0.801	37%	0.369	S	S	*	.	H	α-helix	trans	-56.2	-29.6	-175.5	-156.7	83.8	0	0	0	113.2	K71	L67-K71 WeakPolarHBondContact O-CB 3.14Å; L67-K71 PolarHBondContact O-N 3.12Å
68	M	66.9	Low	75.8	Confident	144 Å²	144	72.5 Å²	72.5	71%	0.709	37%	0.368	S	S	*	.	H	α-helix	trans	-79	-43.2	-179	-162.9	163.7	-176.9	0	0	111.9	N66 L70 K71 D72	N66-M68 PolarHBondContact O-N 2.83Å; N66-M68 PolarHBondContact OD1-N 2.98Å; N66-M68 VanDerWaalsContact OD1-N 3.12Å; M68-L70 VanDerWaalsContact C-N 3.34Å; M68-K71 PolarHBondContact O-N 3.5Å; M68-D72 PolarHBondContact O-N 3.44Å
69	V	76.3	Confident	75.8	Confident	57 Å²	57	77.7 Å²	77.7	35%	0.345	39%	0.39	S	S	.	.	H	α-helix	trans	-66.3	-38.5	174	175.2	0	0	0	0	110.4	N66 K71 D72 T73	N66-V69 PolarHBondContact O-N 2.86Å; N66-V69 VanDerWaalsContact O-N 3.16Å; N66-V69 WeakPolarHBondContact OD1-CB 3.33Å; N66-V69 WeakPolarHBondContact OD1-CG2 3.46Å; N66-V69 PolarHBondContact OD1-N 3.1Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 2.93Å; V69-D72 PolarHBondContact O-N 3.42Å; V69-T73 VanDerWaalsContact O-CB 3.26Å; V69-T73 WeakPolarHBondContact O-CB 3.42Å; V69-T73 PolarHBondContact O-N 3.28Å; V69-T73 PolarHBondContact O-OG1 3.12Å
70	L	78.9	Confident	76.3	Confident	20 Å²	20	76.2 Å²	76.2	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-59.5	-45.9	173.8	-179	65	0	0	0	111	L51 L54 N66 M68 T73 L74	L51-L70 HydrophobicContact CD2-CD1 3.79Å; L51-L70 HydrophobicContact CD2-CD2 4.27Å; L54-L70 HydrophobicContact CD1-CD1 3.52Å; N66-L70 WeakPolarHBondContact O-CB 3.27Å; N66-L70 PolarHBondContact O-N 2.83Å; M68-L70 VanDerWaalsContact C-N 3.34Å; L70-T73 PolarHBondContact O-N 2.99Å; L70-L74 HydrophobicContact CD1-CD1 4.26Å; L70-L74 HydrophobicContact CG-CD1 3.96Å; L70-L74 VanDerWaalsContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CB 3.02Å; L70-L74 WeakPolarHBondContact O-CG 3.29Å; L70-L74 PolarHBondContact O-N 2.85Å
71	K	83.8	Confident	77	Confident	89 Å²	89	77.9 Å²	77.9	39%	0.387	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-45.4	178.3	-174.9	168.7	-170.4	164.5	0	112.2	L67 M68 V69 K75	L67-K71 WeakPolarHBondContact O-CB 3.14Å; L67-K71 PolarHBondContact O-N 3.12Å; M68-K71 PolarHBondContact O-N 3.5Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 2.93Å; K71-K75 WeakPolarHBondContact O-CG 3.26Å; K71-K75 PolarHBondContact O-N 3.11Å
72	D	83.4	Confident	77.8	Confident	85 Å²	85	77.8 Å²	77.8	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-68.1	-38.2	179.6	-71	-20.4	0	0	0	112	M68 V69 K75 K76	M68-D72 PolarHBondContact O-N 3.44Å; V69-D72 PolarHBondContact O-N 3.42Å; D72-K75 PolarHBondContact O-N 2.87Å; D72-K76 WeakPolarHBondContact O-CG 2.99Å; D72-K76 PolarHBondContact O-N 3.18Å; D72-K76 VanDerWaalsContact O-N 3.14Å
73	T	84.4	Confident	78.9	Confident	13 Å²	13	72.2 Å²	72.2	8%	0.08	35%	0.354	C	S	.	.	H	α-helix	trans	-70.6	-39.4	176.9	-60.4	0	0	0	0	111.9	L54 Y58 C60 V69 L70 K75 K76 M77	L54-T73 HydrophobicContact CB-CG2 4.23Å; L54-T73 HydrophobicContact CD2-CG2 4.06Å; L54-T73 HydrophobicContact CG-CG2 4.5Å; Y58-T73 VanDerWaalsContact CB-CG2 3.44Å; Y58-T73 HydrophobicContact CG-CG2 4.14Å; C60-T73 HydrophobicContact CB-CG2 4.44Å; V69-T73 VanDerWaalsContact O-CB 3.26Å; V69-T73 WeakPolarHBondContact O-CB 3.42Å; V69-T73 PolarHBondContact O-N 3.28Å; V69-T73 PolarHBondContact O-OG1 3.12Å; L70-T73 PolarHBondContact O-N 2.99Å; T73-K75 VanDerWaalsContact C-N 3.31Å; T73-K75 PolarHBondContact O-N 3.21Å; T73-K76 WeakPolarHBondContact O-CB 3.47Å; T73-K76 PolarHBondContact O-N 3.41Å; T73-M77 PolarHBondContact O-N 2.84Å
74	L	87.8	Confident	79.9	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-57.7	-44.3	170.7	-87.5	163.4	0	0	0	111.4	L54 L70 K76 M77 Q78 I89 T93 M97	L54-L74 HydrophobicContact CD1-CD2 3.89Å; L54-L74 HydrophobicContact CD1-CG 3.74Å; L70-L74 HydrophobicContact CD1-CD1 4.26Å; L70-L74 HydrophobicContact CG-CD1 3.96Å; L70-L74 VanDerWaalsContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CB 3.02Å; L70-L74 WeakPolarHBondContact O-CG 3.29Å; L70-L74 PolarHBondContact O-N 2.85Å; L74-K76 VanDerWaalsContact C-N 3.31Å; L74-K76 PolarHBondContact O-N 3.25Å; L74-M77 PolarHBondContact O-N 3.42Å; L74-Q78 WeakPolarHBondContact O-CB 3.42Å; L74-Q78 VanDerWaalsContact O-CG 3.3Å; L74-Q78 WeakPolarHBondContact O-CG 3.42Å; L74-Q78 PolarHBondContact O-N 2.86Å; L74-I89 HydrophobicContact CD1-CG1 3.91Å; L74-I89 HydrophobicContact CD2-CG1 4.33Å; L74-T93 HydrophobicContact CD2-CG2 4.16Å; L74-M97 HydrophobicContact CD2-CE 4.03Å
75	K	87.6	Confident	81.3	Confident	68 Å²	68	67.5 Å²	67.5	30%	0.296	34%	0.335	S	S	.	.	H	α-helix	trans	-62.1	-38.1	176.6	-74.6	179.4	174	-168.9	0	112.9	K71 D72 T73 M77 K79 E85	K71-K75 WeakPolarHBondContact O-CG 3.26Å; K71-K75 PolarHBondContact O-N 3.11Å; D72-K75 PolarHBondContact O-N 2.87Å; T73-K75 VanDerWaalsContact C-N 3.31Å; T73-K75 PolarHBondContact O-N 3.21Å; K75-M77 VanDerWaalsContact C-N 3.33Å; K75-K79 WeakPolarHBondContact O-CB 3.41Å; K75-K79 PolarHBondContact O-N 2.86Å; K75-E85 HydrophobicContact CG-CB 4.4Å
76	K	87.9	Confident	82.4	Confident	126 Å²	126	68.5 Å²	68.5	55%	0.548	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-42.8	174.4	-69.9	176.5	-175.6	177.7	0	111.5	Y58 D72 T73 L74 F80	Y58-K76 HydrophobicContact CD1-CB 4.36Å; Y58-K76 HydrophobicContact CE1-CB 4.34Å; D72-K76 WeakPolarHBondContact O-CG 2.99Å; D72-K76 PolarHBondContact O-N 3.18Å; D72-K76 VanDerWaalsContact O-N 3.14Å; T73-K76 WeakPolarHBondContact O-CB 3.47Å; T73-K76 PolarHBondContact O-N 3.41Å; L74-K76 VanDerWaalsContact C-N 3.31Å; L74-K76 PolarHBondContact O-N 3.25Å; K76-F80 WeakPolarHBondContact O-CB 3.4Å; K76-F80 PolarHBondContact O-N 3.14Å
77	M	90.3	Very high	83.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-49.7	176.6	-177.6	-82.7	-173.2	0	0	111.6	Y53 L54 Y58 T73 L74 K75 K79 F80 F81 T93 I96 M97	Y53-M77 HydrophobicContact CE1-CE 3.93Å; Y53-M77 HydrophobicContact CE1-CG 4.17Å; L54-M77 HydrophobicContact CD2-CB 3.94Å; L54-M77 HydrophobicContact CD2-CG 4.2Å; Y58-M77 HydrophobicContact CD2-CB 4.24Å; Y58-M77 HydrophobicContact CD2-CG 4.38Å; Y58-M77 HydrophobicContact CE1-CB 3.99Å; Y58-M77 HydrophobicContact CE2-CB 3.67Å; Y58-M77 HydrophobicContact CE2-CG 3.56Å; Y58-M77 WeakPolarHBondContact OH-CA 3.31Å; T73-M77 PolarHBondContact O-N 2.84Å; L74-M77 PolarHBondContact O-N 3.42Å; K75-M77 VanDerWaalsContact C-N 3.33Å; M77-K79 VanDerWaalsContact C-N 3.28Å; M77-K79 PolarHBondContact O-N 2.75Å; M77-F80 WeakPolarHBondContact O-CB 3.48Å; M77-F80 PolarHBondContact O-N 3.5Å; M77-F81 HydrophobicContact CE-CD2 3.71Å; M77-F81 HydrophobicContact CE-CE2 3.85Å; M77-F81 HydrophobicContact CG-CD2 4.13Å; M77-F81 HydrophobicContact CG-CE2 4.22Å; M77-F81 WeakPolarHBondContact O-CD2 3.36Å; M77-F81 PolarHBondContact O-N 2.97Å; M77-F81 VanDerWaalsContact O-N 3.12Å; M77-F81 HydrophobicContact SD-CD2 3.93Å; M77-F81 HydrophobicContact SD-CE2 4.42Å; M77-T93 HydrophobicContact CE-CG2 4.37Å; M77-T93 HydrophobicContact SD-CG2 4.05Å; M77-I96 HydrophobicContact CE-CG2 3.99Å; M77-M97 HydrophobicContact CE-CE 3.56Å; M77-M97 HydrophobicContact CE-CG 3.39Å; M77-M97 HydrophobicContact CE-SD 4.32Å; M77-M97 HydrophobicContact CG-CE 4.05Å; M77-M97 HydrophobicContact SD-CE 3.72Å
78	Q	89.8	Confident	84.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.7	-44.3	176.5	-73.7	170.5	-24.9	0	0	111.5	L74 F80 F81 S82 L83 Q84 T86 E88 D90 T93	L74-Q78 WeakPolarHBondContact O-CB 3.42Å; L74-Q78 VanDerWaalsContact O-CG 3.3Å; L74-Q78 WeakPolarHBondContact O-CG 3.42Å; L74-Q78 PolarHBondContact O-N 2.86Å; Q78-F80 PolarHBondContact O-N 3.37Å; Q78-F81 CarbonylContact O-C 3.57Å; Q78-F81 PolarHBondContact O-N 2.79Å; Q78-S82 PolarHBondContact O-N 3.02Å; Q78-L83 HydrophobicContact CB-CB 4.05Å; Q78-L83 HydrophobicContact CG-CB 4.33Å; Q78-L83 HydrophobicContact CG-CD1 4.46Å; Q78-L83 WeakPolarHBondContact O-CB 3.22Å; Q78-L83 PolarHBondContact O-N 2.86Å; Q78-Q84 PolarHBondContact OE1-O 2.98Å; Q78-T86 PolarHBondContact NE2-OG1 2.9Å; Q78-E88 PolarHBondContact NE2-O 3.02Å; Q78-E88 VanDerWaalsContact NE2-O 3.14Å; Q78-D90 PolarHBondContact NE2-OD1 2.74Å; Q78-D90 VanDerWaalsContact NE2-OD1 3.15Å; Q78-T93 PolarHBondContact NE2-OG1 2.85Å; Q78-T93 VanDerWaalsContact NE2-OG1 3.15Å
79	K	86.3	Confident	85	Confident	125 Å²	125	59.6 Å²	59.6	54%	0.543	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-42	175.6	-177.7	177.6	178.3	-179.1	0	112.5	K75 M77 F81 S82 E85	K75-K79 WeakPolarHBondContact O-CB 3.41Å; K75-K79 PolarHBondContact O-N 2.86Å; M77-K79 VanDerWaalsContact C-N 3.28Å; M77-K79 PolarHBondContact O-N 2.75Å; K79-F81 VanDerWaalsContact C-N 3.3Å; K79-F81 PolarHBondContact O-N 2.05Å; K79-S82 PolarHBondContact O-N 2.8Å; K79-S82 VanDerWaalsContact O-N 3.16Å; K79-E85 HydrophobicContact CB-CG 4.24Å
80	F	86.6	Confident	85.5	Confident	14 Å²	14	58.9 Å²	58.9	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-43.2	179.2	-171.2	-79.4	0	0	0	111.4	K76 M77 Q78 S82 D106 H413 S414 Q415 P423	K76-F80 WeakPolarHBondContact O-CB 3.4Å; K76-F80 PolarHBondContact O-N 3.14Å; M77-F80 WeakPolarHBondContact O-CB 3.48Å; M77-F80 PolarHBondContact O-N 3.5Å; Q78-F80 PolarHBondContact O-N 3.37Å; F80-S82 VanDerWaalsContact C-N 3.29Å; F80-S82 PolarHBondContact O-N 3.38Å; F80-D106 HydrophobicContact CD2-CB 4.28Å; F80-D106 HydrophobicContact CE2-CB 4.09Å; F80-D106 HydrophobicContact CZ-CB 4.28Å; F80-H413 HydrophobicContact CZ-CB 3.92Å; F80-S414 WeakPolarHBondContact CE1-O 3.19Å; F80-S414 VanDerWaalsContact CZ-O 3.31Å; F80-S414 WeakPolarHBondContact CZ-O 3.21Å; F80-Q415 HydrophobicContact CD1-CG 4.34Å; F80-Q415 HydrophobicContact CD2-CG 3.57Å; F80-Q415 HydrophobicContact CE1-CG 4.3Å; F80-Q415 HydrophobicContact CE2-CG 3.56Å; F80-Q415 HydrophobicContact CG-CG 3.97Å; F80-Q415 HydrophobicContact CZ-CG 3.92Å; F80-P423 HydrophobicContact CE1-CG 3.65Å; F80-P423 HydrophobicContact CZ-CG 4.32Å
81	F	86.1	Confident	85.7	Confident	41 Å²	41	62 Å²	62	18%	0.18	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	13.7	178.6	-69.8	-76	0	0	0	114.1	M77 Q78 K79 L83 I96 P423 V424	M77-F81 HydrophobicContact CE-CD2 3.71Å; M77-F81 HydrophobicContact CE-CE2 3.85Å; M77-F81 HydrophobicContact CG-CD2 4.13Å; M77-F81 HydrophobicContact CG-CE2 4.22Å; M77-F81 WeakPolarHBondContact O-CD2 3.36Å; M77-F81 PolarHBondContact O-N 2.97Å; M77-F81 VanDerWaalsContact O-N 3.12Å; M77-F81 HydrophobicContact SD-CD2 3.93Å; M77-F81 HydrophobicContact SD-CE2 4.42Å; Q78-F81 CarbonylContact O-C 3.57Å; Q78-F81 PolarHBondContact O-N 2.79Å; K79-F81 VanDerWaalsContact C-N 3.3Å; K79-F81 PolarHBondContact O-N 2.05Å; F81-L83 HydrophobicContact CB-CD1 4.3Å; F81-L83 HydrophobicContact CB-CG 4.08Å; F81-L83 PolarHBondContact O-N 2.89Å; F81-I96 HydrophobicContact CB-CD1 4.44Å; F81-I96 HydrophobicContact CB-CG2 4.48Å; F81-I96 HydrophobicContact CD1-CG2 3.87Å; F81-I96 HydrophobicContact CD2-CG2 4.11Å; F81-I96 HydrophobicContact CE1-CG2 4.09Å; F81-I96 HydrophobicContact CE2-CG2 4.34Å; F81-I96 HydrophobicContact CG-CG2 3.88Å; F81-I96 HydrophobicContact CZ-CG2 4.32Å; F81-P423 HydrophobicContact CE1-CG 3.78Å; F81-P423 HydrophobicContact CZ-CG 3.7Å; F81-V424 HydrophobicContact CE1-CG2 3.59Å; F81-V424 HydrophobicContact CZ-CG2 4.14Å
82	S	82.4	Confident	85.7	Confident	56 Å²	56	60.2 Å²	60.2	39%	0.392	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	31.9	-178.1	-61.4	0	0	0	0	114.6	Q78 K79 F80	Q78-S82 PolarHBondContact O-N 3.02Å; K79-S82 PolarHBondContact O-N 2.8Å; K79-S82 VanDerWaalsContact O-N 3.16Å; F80-S82 VanDerWaalsContact C-N 3.29Å; F80-S82 PolarHBondContact O-N 3.38Å
83	L	82.3	Confident	85.9	Confident	41 Å²	41	56.1 Å²	56.1	22%	0.215	29%	0.293	C	S	.	.			trans	-85.6	167.3	173.7	-60	177.9	0	0	0	111.9	Q78 F81 E85 I96	Q78-L83 HydrophobicContact CB-CB 4.05Å; Q78-L83 HydrophobicContact CG-CB 4.33Å; Q78-L83 HydrophobicContact CG-CD1 4.46Å; Q78-L83 WeakPolarHBondContact O-CB 3.22Å; Q78-L83 PolarHBondContact O-N 2.86Å; F81-L83 HydrophobicContact CB-CD1 4.3Å; F81-L83 HydrophobicContact CB-CG 4.08Å; F81-L83 PolarHBondContact O-N 2.89Å; L83-E85 PolarHBondContact O-N 2.86Å; L83-I96 HydrophobicContact CD1-CD1 3.6Å; L83-I96 HydrophobicContact CD2-CD1 3.55Å; L83-I96 HydrophobicContact CG-CD1 3.89Å
84	Q	81.2	Confident	86.1	Confident	155 Å²	155	55.9 Å²	55.9	72%	0.724	29%	0.292	S	S	*	.			trans	-66.1	124.3	171.4	-66.4	-171.7	-9.9	0	0	110.3	Q78 T86	Q78-Q84 PolarHBondContact OE1-O 2.98Å; Q84-T86 HydrophobicContact CB-CG2 4.26Å; Q84-T86 PolarHBondContact O-N 3.33Å
85	E	87.3	Confident	86	Confident	107 Å²	107	60.2 Å²	60.2	50%	0.5	31%	0.312	S	S	.	.			trans	-74.9	62.4	-177.5	-61.5	-177.9	-148.1	0	0	113	K75 K79 L83	K75-E85 HydrophobicContact CG-CB 4.4Å; K79-E85 HydrophobicContact CB-CG 4.24Å; L83-E85 PolarHBondContact O-N 2.86Å
86	T	86.1	Confident	86	Confident	52 Å²	52	58.4 Å²	58.4	32%	0.319	31%	0.305	S	S	.	.			trans	-71.1	-35.3	179.4	64	0	0	0	0	111.7	Q78 Q84 E88	Q78-T86 PolarHBondContact NE2-OG1 2.9Å; Q84-T86 HydrophobicContact CB-CG2 4.26Å; Q84-T86 PolarHBondContact O-N 3.33Å; T86-E88 PolarHBondContact OG1-N 2.98Å; T86-E88 VanDerWaalsContact OG1-N 3.14Å
87	G	84.3	Confident	86.1	Confident	7 Å²	7	52.9 Å²	52.9	7%	0.072	28%	0.281	C	S	.	.			trans	68.3	19.2	-167.9	0	0	0	0	0	113.5
88	E	87.3	Confident	86	Confident	132 Å²	132	58.3 Å²	58.3	62%	0.617	31%	0.305	S	S	*	.	S	Bend	trans	-115.9	158.9	175.6	-63	-174.3	174.8	0	0	109.9	Q78 T86 D90	Q78-E88 PolarHBondContact NE2-O 3.02Å; Q78-E88 VanDerWaalsContact NE2-O 3.14Å; T86-E88 PolarHBondContact OG1-N 2.98Å; T86-E88 VanDerWaalsContact OG1-N 3.14Å; E88-D90 PolarHBondContact O-N 3.41Å; E88-D90 VanDerWaalsContact O-N 3.15Å; E88-D90 VanDerWaalsContact O-OD1 3.11Å
89	I	85.3	Confident	86	Confident	60 Å²	60	60.9 Å²	60.9	31%	0.308	32%	0.316	S	S	.	.			trans	-85.8	83.9	176.2	-56.4	171.4	0	0	0	107.5	K47 A50 L74 V94	K47-I89 HydrophobicContact CG-CD1 4.35Å; A50-I89 HydrophobicContact CB-CD1 3.83Å; A50-I89 HydrophobicContact CB-CG1 4.21Å; A50-I89 HydrophobicContact CB-CG2 4.2Å; L74-I89 HydrophobicContact CD1-CG1 3.91Å; L74-I89 HydrophobicContact CD2-CG1 4.33Å; I89-V94 HydrophobicContact CG2-CG2 3.32Å
90	D	85.6	Confident	86.4	Confident	42 Å²	42	56.3 Å²	56.3	23%	0.225	30%	0.299	C	S	.	.			trans	-88	163.5	175.4	61.1	-71	0	0	0	112.1	Q78 E88 S92 T93 V94	Q78-D90 PolarHBondContact NE2-OD1 2.74Å; Q78-D90 VanDerWaalsContact NE2-OD1 3.15Å; E88-D90 PolarHBondContact O-N 3.41Å; E88-D90 VanDerWaalsContact O-N 3.15Å; E88-D90 VanDerWaalsContact O-OD1 3.11Å; D90-S92 VanDerWaalsContact C-N 3.33Å; D90-S92 PolarHBondContact O-N 2.91Å; D90-S92 WeakPolarHBondContact OD2-CB 3.49Å; D90-S92 PolarHBondContact OD2-N 3.11Å; D90-S92 PolarHBondContact OD2-OG 2.69Å; D90-T93 VanDerWaalsContact CG-OG1 3.26Å; D90-T93 PolarHBondContact O-N 3.01Å; D90-T93 VanDerWaalsContact OD1-CB 3.25Å; D90-T93 WeakPolarHBondContact OD1-CB 3.46Å; D90-T93 PolarHBondContact OD1-OG1 3.46Å; D90-T93 PolarHBondContact OD2-N 2.95Å; D90-T93 VanDerWaalsContact OD2-N 3.11Å; D90-T93 PolarHBondContact OD2-OG1 3.45Å; D90-V94 WeakPolarHBondContact O-CG2 3.35Å; D90-V94 PolarHBondContact O-N 2.9Å
91	A	84.3	Confident	86.8	Confident	86 Å²	86	55.9 Å²	55.9	71%	0.711	30%	0.297	S	S	*	.	H	α-helix	trans	-58.7	-41.3	-176.8	0	0	0	0	0	112.6	V94 E95	A91-V94 PolarHBondContact O-N 3.16Å; A91-E95 WeakPolarHBondContact O-CB 3.48Å; A91-E95 PolarHBondContact O-N 3.12Å
92	S	83.4	Confident	87.3	Confident	51 Å²	51	54.2 Å²	54.2	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-40.1	177	25.5	0	0	0	0	112.9	D90 E95 I96	D90-S92 VanDerWaalsContact C-N 3.33Å; D90-S92 PolarHBondContact O-N 2.91Å; D90-S92 WeakPolarHBondContact OD2-CB 3.49Å; D90-S92 PolarHBondContact OD2-N 3.11Å; D90-S92 PolarHBondContact OD2-OG 2.69Å; S92-E95 PolarHBondContact O-N 3.32Å; S92-I96 PolarHBondContact O-N 3.44Å
93	T	87.6	Confident	87.8	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-45.6	174.7	-64.9	0	0	0	0	111.3	L74 M77 Q78 D90 I96 M97	L74-T93 HydrophobicContact CD2-CG2 4.16Å; M77-T93 HydrophobicContact CE-CG2 4.37Å; M77-T93 HydrophobicContact SD-CG2 4.05Å; Q78-T93 PolarHBondContact NE2-OG1 2.85Å; Q78-T93 VanDerWaalsContact NE2-OG1 3.15Å; D90-T93 VanDerWaalsContact CG-OG1 3.26Å; D90-T93 PolarHBondContact O-N 3.01Å; D90-T93 VanDerWaalsContact OD1-CB 3.25Å; D90-T93 WeakPolarHBondContact OD1-CB 3.46Å; D90-T93 PolarHBondContact OD1-OG1 3.46Å; D90-T93 PolarHBondContact OD2-N 2.95Å; D90-T93 VanDerWaalsContact OD2-N 3.11Å; D90-T93 PolarHBondContact OD2-OG1 3.45Å; T93-I96 PolarHBondContact O-N 2.99Å; T93-M97 HydrophobicContact CG2-CE 3.65Å; T93-M97 HydrophobicContact CG2-SD 4.1Å; T93-M97 WeakPolarHBondContact O-CG 3.43Å; T93-M97 PolarHBondContact O-N 2.83Å
94	V	88.1	Confident	88.2	Confident	8 Å²	8	50.7 Å²	50.7	5%	0.048	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-38.7	179.5	176.5	0	0	0	0	111.7	D46 I89 D90 A91 I96 M97 K98	D46-V94 HydrophobicContact CB-CG1 4.05Å; D46-V94 HydrophobicContact CB-CG2 4.11Å; I89-V94 HydrophobicContact CG2-CG2 3.32Å; D90-V94 WeakPolarHBondContact O-CG2 3.35Å; D90-V94 PolarHBondContact O-N 2.9Å; A91-V94 PolarHBondContact O-N 3.16Å; V94-I96 VanDerWaalsContact C-N 3.29Å; V94-I96 PolarHBondContact O-N 3.18Å; V94-M97 PolarHBondContact O-N 2.94Å; V94-K98 HydrophobicContact CG1-CD 3.9Å; V94-K98 HydrophobicContact CG1-CG 4.34Å; V94-K98 WeakPolarHBondContact O-CG 3.44Å; V94-K98 PolarHBondContact O-N 3.11Å
95	E	86.2	Confident	88.6	Confident	94 Å²	94	46.2 Å²	46.2	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-57.3	-43.5	176.6	-170.9	-173.7	161	0	0	111.1	A91 S92 K98 K99	A91-E95 WeakPolarHBondContact O-CB 3.48Å; A91-E95 PolarHBondContact O-N 3.12Å; S92-E95 PolarHBondContact O-N 3.32Å; E95-K98 PolarHBondContact O-N 3.02Å; E95-K99 WeakPolarHBondContact O-CG 3.36Å; E95-K99 PolarHBondContact O-N 3.21Å
96	I	88.3	Confident	88.5	Confident	29 Å²	29	41.9 Å²	41.9	15%	0.149	24%	0.235	C	C	.	.	H	α-helix	trans	-69.7	-40.9	175.7	-75.4	161.8	0	0	0	112.2	M77 F81 L83 S92 T93 V94 K98 K99	M77-I96 HydrophobicContact CE-CG2 3.99Å; F81-I96 HydrophobicContact CB-CD1 4.44Å; F81-I96 HydrophobicContact CB-CG2 4.48Å; F81-I96 HydrophobicContact CD1-CG2 3.87Å; F81-I96 HydrophobicContact CD2-CG2 4.11Å; F81-I96 HydrophobicContact CE1-CG2 4.09Å; F81-I96 HydrophobicContact CE2-CG2 4.34Å; F81-I96 HydrophobicContact CG-CG2 3.88Å; F81-I96 HydrophobicContact CZ-CG2 4.32Å; L83-I96 HydrophobicContact CD1-CD1 3.6Å; L83-I96 HydrophobicContact CD2-CD1 3.55Å; L83-I96 HydrophobicContact CG-CD1 3.89Å; S92-I96 PolarHBondContact O-N 3.44Å; T93-I96 PolarHBondContact O-N 2.99Å; V94-I96 VanDerWaalsContact C-N 3.29Å; V94-I96 PolarHBondContact O-N 3.18Å; I96-K98 PolarHBondContact O-N 2.83Å; I96-K99 WeakPolarHBondContact O-CB 3.35Å; I96-K99 PolarHBondContact O-N 3.29Å
97	M	89.2	Confident	87.9	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.049	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-23	177.6	-72	177.5	174	0	0	113.6	V49 A50 Y53 L54 L74 M77 T93 V94	V49-M97 HydrophobicContact CG1-CB 4.32Å; A50-M97 VanDerWaalsContact CA-SD 3.59Å; A50-M97 HydrophobicContact CB-CE 4.46Å; A50-M97 HydrophobicContact CB-SD 3.73Å; Y53-M97 HydrophobicContact CD1-CE 4.05Å; Y53-M97 HydrophobicContact CD1-CG 3.9Å; Y53-M97 HydrophobicContact CD1-SD 4.34Å; Y53-M97 HydrophobicContact CD2-CB 3.82Å; Y53-M97 HydrophobicContact CD2-CG 3.93Å; Y53-M97 HydrophobicContact CE1-CG 4.14Å; Y53-M97 HydrophobicContact CE2-CB 4.12Å; Y53-M97 HydrophobicContact CE2-CG 4.17Å; Y53-M97 HydrophobicContact CG-CB 4.13Å; Y53-M97 HydrophobicContact CG-CG 3.8Å; Y53-M97 HydrophobicContact CG-SD 4.25Å; L54-M97 HydrophobicContact CD2-CE 3.87Å; L54-M97 HydrophobicContact CG-CE 4.15Å; L74-M97 HydrophobicContact CD2-CE 4.03Å; M77-M97 HydrophobicContact CE-CE 3.56Å; M77-M97 HydrophobicContact CE-CG 3.39Å; M77-M97 HydrophobicContact CE-SD 4.32Å; M77-M97 HydrophobicContact CG-CE 4.05Å; M77-M97 HydrophobicContact SD-CE 3.72Å; T93-M97 HydrophobicContact CG2-CE 3.65Å; T93-M97 HydrophobicContact CG2-SD 4.1Å; T93-M97 WeakPolarHBondContact O-CG 3.43Å; T93-M97 PolarHBondContact O-N 2.83Å; V94-M97 PolarHBondContact O-N 2.94Å
98	K	88.9	Confident	86.5	Confident	115 Å²	115	44.1 Å²	44.1	50%	0.5	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-8.9	176.1	-74.5	174.9	173.5	167.8	0	113.1	D46 V49 V94 E95 I96	D46-K98 IonicContact OD1-NZ 3.95Å; D46-K98 PolarHBondContact OD1-NZ 2.86Å; V49-K98 HydrophobicContact CG1-CG 4.26Å; V94-K98 HydrophobicContact CG1-CD 3.9Å; V94-K98 HydrophobicContact CG1-CG 4.34Å; V94-K98 WeakPolarHBondContact O-CG 3.44Å; V94-K98 PolarHBondContact O-N 3.11Å; E95-K98 PolarHBondContact O-N 3.02Å; I96-K98 PolarHBondContact O-N 2.83Å
99	K	90.3	Very high	84.6	Confident	54 Å²	54	44.5 Å²	44.5	24%	0.235	26%	0.259	C	S	.	.	S	Bend	trans	-73.1	140.7	177.7	-69.8	-173.2	177.2	-170.1	0	110.5	E95 I96 V424	E95-K99 WeakPolarHBondContact O-CG 3.36Å; E95-K99 PolarHBondContact O-N 3.21Å; I96-K99 WeakPolarHBondContact O-CB 3.35Å; I96-K99 PolarHBondContact O-N 3.29Å; K99-V424 HydrophobicContact CB-CG1 3.78Å; K99-V424 HydrophobicContact CB-CG2 4.5Å; K99-V424 HydrophobicContact CD-CG1 3.88Å; K99-V424 HydrophobicContact CG-CG1 4.46Å
100	P	93.6	Very high	82.7	Confident	29 Å²	29	45.6 Å²	45.6	19%	0.188	26%	0.259	C	S	.	.			trans	-58.1	140.8	173.4	-20.9	31.9	0	0	0	111.3	G189 L191 Y395 Y425	P100-G189 CarbonylContact C-O 3.58Å; P100-G189 WeakPolarHBondContact CA-O 3.5Å; P100-L191 HydrophobicContact CB-CD1 4.24Å; P100-L191 HydrophobicContact CB-CD2 4Å; P100-L191 HydrophobicContact CB-CG 4.24Å; P100-Y395 HydrophobicContact CB-CE1 3.57Å; P100-Y395 HydrophobicContact CG-CE1 3.71Å; P100-Y395 WeakPolarHBondContact CG-OH 3.15Å; P100-Y425 PolarHBondContact O-N 3.41Å
101	R	95.1	Very high	80.4	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.015	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-155	168.5	-171.2	63	158.3	-68.5	165.6	9.1	113.6	Y53 F57 V104 D106 G189 L190 L191 H413 P423	Y53-R101 PolarHBondContact OH-NH1 3.19Å; F57-R101 VanDerWaalsContact CE1-NE 3.34Å; F57-R101 HydrophobicContact CZ-CG 4.18Å; R101-V104 PolarHBondContact NH2-O 3.26Å; R101-D106 IonicContact CZ-OD1 3.93Å; R101-D106 IonicContact CZ-OD2 3.41Å; R101-D106 IonicContact NH1-OD1 2.93Å; R101-D106 PolarHBondContact NH1-OD1 3.34Å; R101-D106 IonicContact NH1-OD2 2.82Å; R101-D106 PolarHBondContact NH1-OD2 3.37Å; R101-D106 IonicContact NH2-OD1 3.38Å; R101-D106 PolarHBondContact NH2-OD1 2.86Å; R101-D106 IonicContact NH2-OD2 3.38Å; R101-G189 PolarHBondContact N-O 3.37Å; R101-L190 HydrophobicContact CG-CD2 4.41Å; R101-L191 PolarHBondContact O-N 2.85Å; R101-H413 PolarHBondContact NH2-CE1 3.1Å; R101-H413 VanDerWaalsContact NH2-CE1 3.27Å; R101-P423 CarbonylContact C-O 3.5Å; R101-P423 WeakPolarHBondContact CA-O 3.44Å; R101-P423 WeakPolarHBondContact CB-O 3.4Å
102	C	95.9	Very high	78.2	Confident	6 Å²	6	55.6 Å²	55.6	4%	0.041	29%	0.292	C	S	.	.			trans	-65.6	142.8	168.9	171.4	0	0	0	0	111.7	V104 H403 E404 H413 P423	C102-V104 VanDerWaalsContact C-N 3.31Å; C102-V104 PolarHBondContact O-N 3.02Å; C102-V104 PolarHBondContact SG-N 3.34Å; C102-H403 WeakPolarHBondContact CB-NE2 3.47Å; C102-H403 PolarHBondContact SG-NE2 3.39Å; C102-E404 PolarHBondContact SG-OE1 3.22Å; C102-E404 VanDerWaalsContact SG-OE1 3.4Å; C102-H413 WeakPolarHBondContact CB-NE2 3.23Å; C102-H413 PolarHBondContact SG-NE2 2.95Å; C102-P423 PolarHBondContact N-O 2.84Å
103	G	93.1	Very high	76.1	Confident	9 Å²	9	59.6 Å²	59.6	9%	0.093	30%	0.304	C	S	.	.	S	Bend	trans	-75.5	-11	-180	0	0	0	0	0	115.3	A192	G103-A192 WeakPolarHBondContact CA-O 3.49Å; G103-A192 PolarHBondContact N-O 3.4Å
104	V	91.3	Very high	73.8	Confident	15 Å²	15	68.4 Å²	68.4	9%	0.091	34%	0.344	C	S	.	.	S	Bend	trans	-73.2	141.5	-179.9	179.3	0	0	0	0	111.3	R101 C102 H193 H413	R101-V104 PolarHBondContact NH2-O 3.26Å; C102-V104 VanDerWaalsContact C-N 3.31Å; C102-V104 PolarHBondContact O-N 3.02Å; C102-V104 PolarHBondContact SG-N 3.34Å; V104-H193 HydrophobicContact CG2-CB 4.09Å; V104-H413 PolarHBondContact O-CE1 3.03Å
105	P	88.9	Confident	72.2	Confident	61 Å²	61	78.3 Å²	78.3	40%	0.396	38%	0.381	S	S	.	.			trans	-64.1	142.6	176.2	-25.1	35.7	0	0	0	115
106	D	85.9	Confident	71.3	Confident	16 Å²	16	82.6 Å²	82.6	9%	0.086	39%	0.393	C	S	.	.	S	Bend	trans	-80.1	-25.6	-179.6	-58.9	-30	0	0	0	113.4	F57 Y58 F80 R101 H413	F57-D106 PolarHBondContact O-N 3.06Å; Y58-D106 HydrophobicContact CE1-CB 4.26Å; Y58-D106 HydrophobicContact CE2-CB 4.26Å; Y58-D106 WeakPolarHBondContact CE2-OD2 3.33Å; Y58-D106 PolarHBondContact OH-OD2 3.15Å; F80-D106 HydrophobicContact CD2-CB 4.28Å; F80-D106 HydrophobicContact CE2-CB 4.09Å; F80-D106 HydrophobicContact CZ-CB 4.28Å; R101-D106 IonicContact CZ-OD1 3.93Å; R101-D106 IonicContact CZ-OD2 3.41Å; R101-D106 IonicContact NH1-OD1 2.93Å; R101-D106 PolarHBondContact NH1-OD1 3.34Å; R101-D106 IonicContact NH1-OD2 2.82Å; R101-D106 PolarHBondContact NH1-OD2 3.37Å; R101-D106 IonicContact NH2-OD1 3.38Å; R101-D106 PolarHBondContact NH2-OD1 2.86Å; R101-D106 IonicContact NH2-OD2 3.38Å; D106-H413 IonicContact OD1-CE1 3.13Å; D106-H413 IonicContact OD1-CG 3.56Å; D106-H413 IonicContact OD1-ND1 2.73Å; D106-H413 PolarHBondContact OD1-ND1 3.21Å
107	V	73.2	Confident	70.8	Confident	57 Å²	57	82.3 Å²	82.3	35%	0.345	39%	0.393	S	S	.	.	S	Bend	trans	-110.2	108.2	173.8	-71	0	0	0	0	108.3	F57 Y58 N109	F57-V107 WeakPolarHBondContact O-CG2 3.26Å; Y58-V107 VanDerWaalsContact CA-CG2 3.5Å; Y58-V107 HydrophobicContact CD1-CB 4.39Å; Y58-V107 HydrophobicContact CD1-CG1 3.74Å; Y58-V107 HydrophobicContact CD1-CG2 3.67Å; Y58-V107 HydrophobicContact CE1-CG1 3.79Å; Y58-V107 HydrophobicContact CE1-CG2 4.39Å; Y58-V107 HydrophobicContact CG-CG2 4.11Å; V107-N109 PolarHBondContact O-N 2.69Å; V107-N109 VanDerWaalsContact O-N 3.11Å
108	A	56	Low	70.8	Confident	49 Å²	49	85.6 Å²	85.6	41%	0.405	41%	0.407	S	S	.	.			trans	-52	119.1	178.4	0	0	0	0	0	111.2	Y110	A108-Y110 HydrophobicContact CB-CD2 3.8Å; A108-Y110 HydrophobicContact CB-CG 4.49Å; A108-Y110 PolarHBondContact O-N 3.18Å
109	N	46.9	Very low	71	Confident	140 Å²	140	81.3 Å²	81.3	75%	0.749	39%	0.388	S	S	*	.			trans	-81.9	13.2	157.9	-107.1	-10.2	0	0	0	111.6	V107 N111	V107-N109 PolarHBondContact O-N 2.69Å; V107-N109 VanDerWaalsContact O-N 3.11Å; N109-N111 PolarHBondContact O-N 3.2Å
110	Y	45.8	Very low	71	Confident	82 Å²	82	87.2 Å²	87.2	32%	0.322	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-74.2	21.3	179.3	-61.9	-67.5	0	0	0	114.6	A108 F112 F113	A108-Y110 HydrophobicContact CB-CD2 3.8Å; A108-Y110 HydrophobicContact CB-CG 4.49Å; A108-Y110 PolarHBondContact O-N 3.18Å; Y110-F112 PolarHBondContact O-N 3.16Å; Y110-F113 AromaticContact CD1-CD2 3.65Å; Y110-F113 HydrophobicContact CD1-CD2 3.65Å; Y110-F113 AromaticContact CD1-CE2 3.92Å; Y110-F113 HydrophobicContact CD1-CE2 3.92Å; Y110-F113 HydrophobicContact CE1-CD2 4.39Å; Y110-F113 HydrophobicContact CE1-CE2 4.26Å; Y110-F113 PolarHBondContact O-N 3.26Å
111	N	36.4	Very low	71	Confident	150 Å²	150	90.1 Å²	90.1	80%	0.802	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-58.1	-10.1	158	-99.7	-14.5	0	0	0	112.8	N109	N109-N111 PolarHBondContact O-N 3.2Å
112	F	38.3	Very low	70.8	Confident	189 Å²	189	95.8 Å²	95.8	83%	0.829	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-78.5	-19.5	169.3	-95.4	-82.9	0	0	0	115.2	Y110	Y110-F112 PolarHBondContact O-N 3.16Å
113	F	39.8	Very low	70.8	Confident	135 Å²	135	102.4 Å²	102.4	59%	0.592	48%	0.481	S	S	*	.			trans	-116.6	100.4	177.3	-60	-92.7	0	0	0	109.3	Y110 R115	Y110-F113 AromaticContact CD1-CD2 3.65Å; Y110-F113 HydrophobicContact CD1-CD2 3.65Å; Y110-F113 AromaticContact CD1-CE2 3.92Å; Y110-F113 HydrophobicContact CD1-CE2 3.92Å; Y110-F113 HydrophobicContact CE1-CD2 4.39Å; Y110-F113 HydrophobicContact CE1-CE2 4.26Å; Y110-F113 PolarHBondContact O-N 3.26Å; F113-R115 PolarHBondContact O-N 3.05Å
114	H	39.7	Very low	71	Confident	185 Å²	185	102 Å²	102	86%	0.856	48%	0.476	S	S	*	.	S	Bend	trans	-64.7	9.9	177.7	-73.3	14.6	0	0	0	114.4
115	R	54.1	Low	71.2	Confident	216 Å²	216	103 Å²	103	82%	0.815	48%	0.483	S	S	*	.	S	Bend	trans	-138.2	126.1	-178.3	-64.1	-174.9	178.6	-174.9	-0.5	108.5	F113 P117	F113-R115 PolarHBondContact O-N 3.05Å; R115-P117 WeakPolarHBondContact O-CD 3.43Å; R115-P117 VanDerWaalsContact O-N 3.15Å
116	R	66	Low	71.6	Confident	184 Å²	184	100.8 Å²	100.8	69%	0.694	47%	0.466	S	S	*	.			trans	-47.3	118.5	170.1	-69	-174.7	179	-171.2	-2.4	108.7	K118 E443 L444	R116-K118 PolarHBondContact O-N 2.83Å; R116-E443 IonicContact NH1-OE2 2.72Å; R116-E443 PolarHBondContact NH1-OE2 3.17Å; R116-L444 HydrophobicContact CB-CD2 4.31Å
117	P	78.1	Confident	72.1	Confident	23 Å²	23	101.1 Å²	101.1	15%	0.149	47%	0.467	C	S	.	.			trans	-57.5	129	-179.5	-26.4	36.7	0	0	0	110.4	R115 A196 P197 G410	R115-P117 WeakPolarHBondContact O-CD 3.43Å; R115-P117 VanDerWaalsContact O-N 3.15Å; P117-A196 HydrophobicContact CB-CB 3.77Å; P117-A196 HydrophobicContact CG-CB 3.93Å; P117-P197 HydrophobicContact CB-CB 4.48Å; P117-P197 HydrophobicContact CB-CG 4.28Å; P117-G410 WeakPolarHBondContact O-CA 3.47Å
118	K	89.3	Confident	73.1	Confident	78 Å²	78	98.6 Å²	98.6	34%	0.339	45%	0.451	S	S	.	.			trans	-157.2	137.1	-179.3	-174.4	-161.4	162.2	175.7	0	110	R116 Q120 L444 Y445	R116-K118 PolarHBondContact O-N 2.83Å; K118-Q120 PolarHBondContact O-N 2.91Å; K118-Q120 PolarHBondContact O-NE2 2.98Å; K118-Q120 VanDerWaalsContact O-NE2 3.11Å; K118-L444 HydrophobicContact CD-CB 4.49Å; K118-L444 VanDerWaalsContact CD-O 3.31Å; K118-L444 WeakPolarHBondContact CD-O 3.45Å; K118-L444 WeakPolarHBondContact CE-O 3.42Å; K118-L444 HydrophobicContact CG-CB 4.39Å; K118-L444 PolarHBondContact NZ-O 2.61Å; K118-Y445 HydrophobicContact CD-CD1 4.4Å; K118-Y445 HydrophobicContact CD-CE1 4.13Å; K118-Y445 VanDerWaalsContact CE-CD1 3.41Å; K118-Y445 VanDerWaalsContact CE-CE1 3.49Å; K118-Y445 HydrophobicContact CG-CD1 4.19Å; K118-Y445 HydrophobicContact CG-CE1 3.48Å; K118-Y445 VanDerWaalsContact CG-CE1 3.48Å; K118-Y445 HydrophobicContact CG-CE2 4.27Å
119	W	93.3	Very high	74.8	Confident	26 Å²	26	99.4 Å²	99.4	10%	0.098	45%	0.448	C	S	.	.			trans	-61.7	131.9	168.3	-65.8	110.5	0	0	0	111.7	I124 D168 P197 G198 G202 A408 Y445	W119-I124 HydrophobicContact CB-CD1 4.14Å; W119-I124 VanDerWaalsContact CD1-CD1 3.48Å; W119-I124 HydrophobicContact CG-CD1 3.84Å; W119-I124 HydrophobicContact CG-CG1 4.36Å; W119-D168 HydrophobicContact CH2-CB 3.97Å; W119-D168 HydrophobicContact CZ2-CB 4.14Å; W119-D168 HydrophobicContact CZ3-CB 4.38Å; W119-P197 HydrophobicContact CD2-CB 3.83Å; W119-P197 HydrophobicContact CD2-CG 4.5Å; W119-P197 HydrophobicContact CE3-CB 4.38Å; W119-P197 HydrophobicContact CG-CB 4.09Å; W119-P197 HydrophobicContact CG-CG 4.37Å; W119-P197 HydrophobicContact CZ2-CB 4.06Å; W119-G198 WeakPolarHBondContact CH2-O 3.23Å; W119-G202 VanDerWaalsContact CH2-O 3.25Å; W119-G202 WeakPolarHBondContact CH2-O 3.28Å; W119-G202 WeakPolarHBondContact CZ2-O 3.02Å; W119-A408 PolarHBondContact NE1-O 3.11Å; W119-Y445 HydrophobicContact CB-CE1 4.11Å; W119-Y445 PolarHBondContact N-OH 3.11Å
120	Q	91.3	Very high	76.8	Confident	178 Å²	178	93.2 Å²	93.2	83%	0.832	42%	0.418	S	S	*	.	S	Bend	trans	-81.1	-9.2	177.1	-58.9	-55.5	-53.7	0	0	112.7	K118	K118-Q120 PolarHBondContact O-N 2.91Å; K118-Q120 PolarHBondContact O-NE2 2.98Å; K118-Q120 VanDerWaalsContact O-NE2 3.11Å
121	K	92.5	Very high	79	Confident	90 Å²	90	90 Å²	90	39%	0.391	41%	0.405	S	S	.	.			trans	-113.7	160.6	177.2	60.8	-178.2	179.5	170.2	0	110.7	E123 D168	K121-E123 VanDerWaalsContact CD-O 3.26Å; K121-E123 WeakPolarHBondContact CD-O 3.34Å; K121-D168 WeakPolarHBondContact CE-OD1 3.1Å; K121-D168 WeakPolarHBondContact CE-OD2 3Å; K121-D168 IonicContact NZ-OD1 3.93Å; K121-D168 PolarHBondContact NZ-OD1 3.13Å; K121-D168 IonicContact NZ-OD2 3.96Å; K121-D168 PolarHBondContact NZ-OD2 2.82Å
122	K	91.8	Very high	81.6	Confident	123 Å²	123	82.9 Å²	82.9	54%	0.535	37%	0.367	S	S	.	.	S	Bend	trans	-101.3	-26.5	178.7	-64.1	-175.6	177.2	-174.3	0	113.3	P156 L157 S158	K122-P156 HydrophobicContact CD-CB 4.33Å; K122-P156 HydrophobicContact CD-CG 4.4Å; K122-L157 HydrophobicContact CB-CD2 4.35Å; K122-L157 WeakPolarHBondContact O-CA 3.37Å; K122-S158 PolarHBondContact O-N 3.43Å
123	E	95.4	Very high	84.1	Confident	145 Å²	145	74.9 Å²	74.9	68%	0.678	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	108.8	173.1	-58.3	-176.5	170.2	0	0	107.7	K121 S158	K121-E123 VanDerWaalsContact CD-O 3.26Å; K121-E123 WeakPolarHBondContact CD-O 3.34Å; E123-S158 WeakPolarHBondContact CG-OG 3.19Å
124	I	96.6	Very high	86.5	Confident	0 Å²	0	69 Å²	69	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.5	-178.2	-59.2	174.2	0	0	0	107.5	W119 L157 S158 F159 T160 D168 I169 L409	W119-I124 HydrophobicContact CB-CD1 4.14Å; W119-I124 VanDerWaalsContact CD1-CD1 3.48Å; W119-I124 HydrophobicContact CG-CD1 3.84Å; W119-I124 HydrophobicContact CG-CG1 4.36Å; I124-L157 HydrophobicContact CD1-CD1 4.21Å; I124-L157 HydrophobicContact CD1-CD2 4Å; I124-S158 PolarHBondContact N-O 3.42Å; I124-F159 HydrophobicContact CB-CD1 3.88Å; I124-F159 HydrophobicContact CB-CE1 3.99Å; I124-F159 HydrophobicContact CD1-CE1 3.86Å; I124-F159 HydrophobicContact CD1-CZ 4.48Å; I124-F159 HydrophobicContact CG1-CE1 4.46Å; I124-F159 HydrophobicContact CG2-CD1 4.12Å; I124-F159 HydrophobicContact CG2-CE1 4.19Å; I124-F159 CarbonylContact O-C 3.48Å; I124-F159 VanDerWaalsContact O-CA 3.28Å; I124-F159 WeakPolarHBondContact O-CA 3.32Å; I124-T160 PolarHBondContact O-N 2.86Å; I124-D168 WeakPolarHBondContact CA-OD2 3.44Å; I124-D168 HydrophobicContact CG2-CB 3.76Å; I124-I169 HydrophobicContact CG2-CD1 3.91Å; I124-I169 HydrophobicContact CG2-CG1 4.27Å; I124-L409 HydrophobicContact CD1-CD2 3.55Å
125	T	97	Very high	89	Confident	37 Å²	37	60.1 Å²	60.1	23%	0.227	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.4	175.4	57.2	0	0	0	0	110.7	T160 I162 D168 I169	T125-T160 WeakPolarHBondContact CA-O 3.5Å; T125-I162 HydrophobicContact CG2-CG2 3.94Å; T125-D168 PolarHBondContact N-OD2 2.87Å; T125-D168 WeakPolarHBondContact O-CB 3.46Å; T125-D168 PolarHBondContact O-N 2.93Å; T125-D168 PolarHBondContact OG1-N 2Å; T125-D168 PolarHBondContact OG1-OD2 2.87Å; T125-I169 PolarHBondContact O-N 2.85Å; T125-I169 VanDerWaalsContact O-N 3.14Å
126	Y	97.4	Very high	90.9	Very high	13 Å²	13	50.2 Å²	50.2	5%	0.051	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.3	171.8	72.5	-85.3	0	0	0	111	I128 F148 F159 T160 R161 I162 I169	Y126-I128 HydrophobicContact CE2-CD1 4.47Å; Y126-I128 HydrophobicContact CE2-CG1 4.47Å; Y126-F148 AromaticContact CD1-CD2 3.91Å; Y126-F148 HydrophobicContact CD1-CD2 3.91Å; Y126-F148 AromaticContact CD1-CE2 3.6Å; Y126-F148 HydrophobicContact CD1-CE2 3.6Å; Y126-F148 HydrophobicContact CD1-CZ 4.13Å; Y126-F148 HydrophobicContact CD2-CD2 4.34Å; Y126-F148 AromaticContact CD2-CE2 3.58Å; Y126-F148 HydrophobicContact CD2-CE2 3.58Å; Y126-F148 HydrophobicContact CD2-CZ 4.34Å; Y126-F148 AromaticContact CE1-CD2 3.8Å; Y126-F148 HydrophobicContact CE1-CD2 3.8Å; Y126-F148 AromaticContact CE1-CE2 3.91Å; Y126-F148 HydrophobicContact CE1-CE2 3.91Å; Y126-F148 HydrophobicContact CE2-CD2 4.26Å; Y126-F148 AromaticContact CE2-CE2 3.91Å; Y126-F148 HydrophobicContact CE2-CE2 3.91Å; Y126-F148 HydrophobicContact CG-CD2 4.17Å; Y126-F148 AromaticContact CG-CE2 3.41Å; Y126-F148 HydrophobicContact CG-CE2 3.41Å; Y126-F148 VanDerWaalsContact CG-CE2 3.41Å; Y126-F148 AromaticContact CG-CZ 3.86Å; Y126-F148 HydrophobicContact CG-CZ 3.86Å; Y126-F148 AromaticContact CZ-CD2 3.98Å; Y126-F159 HydrophobicContact CD1-CB 4.2Å; Y126-F159 HydrophobicContact CE1-CB 4.2Å; Y126-T160 PolarHBondContact N-O 2.8Å; Y126-R161 HydrophobicContact CD2-CG 4.36Å; Y126-R161 HydrophobicContact CE1-CB 3.92Å; Y126-R161 HydrophobicContact CE2-CB 3.92Å; Y126-R161 HydrophobicContact CE2-CG 3.88Å; Y126-R161 CarbonylContact O-C 3.58Å; Y126-R161 VanDerWaalsContact O-CA 3.31Å; Y126-R161 WeakPolarHBondContact O-CA 3.32Å; Y126-I162 PolarHBondContact O-N 2.99Å; Y126-I169 CarbonylContact C-O 3.57Å; Y126-I169 WeakPolarHBondContact CA-O 3.4Å
127	R	95.4	Very high	92	Very high	23 Å²	23	43 Å²	43	9%	0.087	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.5	175.7	177.8	174.5	174.7	176.9	5.1	109.5	L129 I162 M163 D164 G165 A167 I169 M170 V171 D311	R127-L129 HydrophobicContact CG-CD2 4.39Å; R127-I162 HydrophobicContact CB-CG1 4.13Å; R127-M163 PolarHBondContact NE-O 3.18Å; R127-M163 PolarHBondContact NH2-O 2.01Å; R127-D164 IonicContact NH1-OD1 3.68Å; R127-G165 WeakPolarHBondContact CD-O 3.21Å; R127-G165 VanDerWaalsContact NH1-N 3.17Å; R127-G165 PolarHBondContact NH1-O 2.96Å; R127-A167 HydrophobicContact CB-CB 3.78Å; R127-I169 PolarHBondContact N-O 2.02Å; R127-M170 HydrophobicContact CB-CE 4.26Å; R127-M170 HydrophobicContact CB-SD 3.97Å; R127-M170 HydrophobicContact CG-CE 4.32Å; R127-V171 PolarHBondContact O-N 2.85Å; R127-D311 PolarHBondContact NH2-O 2.93Å
128	I	95.1	Very high	92.7	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.7	174	-56.9	165.3	0	0	0	106.9	Y126 G130 Y131 N141 F144 V171	Y126-I128 HydrophobicContact CE2-CD1 4.47Å; Y126-I128 HydrophobicContact CE2-CG1 4.47Å; I128-G130 VanDerWaalsContact CG2-O 3.22Å; I128-G130 WeakPolarHBondContact CG2-O 3.33Å; I128-Y131 HydrophobicContact CG2-CD1 4.4Å; I128-Y131 HydrophobicContact CG2-CD2 4.3Å; I128-Y131 HydrophobicContact CG2-CE1 3.95Å; I128-Y131 HydrophobicContact CG2-CE2 3.84Å; I128-N141 VanDerWaalsContact CD1-OD1 3.22Å; I128-N141 WeakPolarHBondContact CD1-OD1 3.36Å; I128-F144 HydrophobicContact CD1-CD2 3.65Å; I128-F144 HydrophobicContact CD1-CE2 4.25Å; I128-F144 HydrophobicContact CG1-CD2 4.01Å; I128-F144 HydrophobicContact CG1-CE2 4.32Å; I128-F144 HydrophobicContact CG2-CE2 4.4Å; I128-V171 HydrophobicContact CG1-CB 4.43Å
129	L	90.8	Very high	92.9	Very high	66 Å²	66	45 Å²	45	35%	0.346	21%	0.214	S	C	.	.			trans	-95.1	-35.6	179.7	-70	179.3	0	0	0	112.4	R127 M170 V171 N172 G313	R127-L129 HydrophobicContact CG-CD2 4.39Å; L129-M170 HydrophobicContact CD1-CB 4.02Å; L129-M170 HydrophobicContact CD1-CE 3.63Å; L129-M170 HydrophobicContact CD2-CE 3.51Å; L129-M170 HydrophobicContact CG-CE 3.67Å; L129-V171 PolarHBondContact N-O 3.02Å; L129-N172 HydrophobicContact CB-CB 4.33Å; L129-G313 VanDerWaalsContact O-CA 3.26Å; L129-G313 WeakPolarHBondContact O-CA 3.12Å
130	G	88.8	Confident	93	Very high	10 Å²	10	43.7 Å²	43.7	10%	0.103	21%	0.209	C	C	.	.			trans	-133.8	158.2	-176.6	0	0	0	0	0	111.8	I128 N172 F173	I128-G130 VanDerWaalsContact CG2-O 3.22Å; I128-G130 WeakPolarHBondContact CG2-O 3.33Å; G130-N172 WeakPolarHBondContact CA-OD1 3.48Å; G130-N172 PolarHBondContact N-OD1 3.18Å; G130-F173 WeakPolarHBondContact O-CD2 3.48Å
131	Y	92.1	Very high	93.2	Very high	15 Å²	15	36.9 Å²	36.9	6%	0.059	18%	0.178	C	C	.	.			trans	-131.6	142.9	179.4	-71.3	-88.7	0	0	0	109.5	I128 E137 I140 N141 R161 D312 Y314 R315	I128-Y131 HydrophobicContact CG2-CD1 4.4Å; I128-Y131 HydrophobicContact CG2-CD2 4.3Å; I128-Y131 HydrophobicContact CG2-CE1 3.95Å; I128-Y131 HydrophobicContact CG2-CE2 3.84Å; Y131-E137 HydrophobicContact CD1-CB 4.38Å; Y131-E137 HydrophobicContact CD1-CG 4.24Å; Y131-E137 HydrophobicContact CE1-CB 4.23Å; Y131-E137 HydrophobicContact CE1-CG 4.47Å; Y131-E137 HydrophobicContact CG-CG 4.5Å; Y131-I140 HydrophobicContact CD1-CB 4.03Å; Y131-I140 HydrophobicContact CD1-CD1 3.69Å; Y131-I140 HydrophobicContact CD1-CG1 4.46Å; Y131-I140 HydrophobicContact CD1-CG2 3.73Å; Y131-I140 HydrophobicContact CE1-CB 4.19Å; Y131-I140 HydrophobicContact CE1-CG2 3.87Å; Y131-I140 HydrophobicContact CG-CD1 4.46Å; Y131-N141 WeakPolarHBondContact CE1-OD1 3.42Å; Y131-N141 PolarHBondContact OH-OD1 2.79Å; Y131-R161 PolarHBondContact OH-NH2 3.17Å; Y131-D312 WeakPolarHBondContact CE2-O 3.28Å; Y131-Y314 HydrophobicContact CD2-CD1 4.36Å; Y131-Y314 HydrophobicContact CD2-CE1 4.46Å; Y131-Y314 HydrophobicContact CE2-CD1 4.25Å; Y131-Y314 AromaticContact CE2-CE1 3.97Å; Y131-Y314 HydrophobicContact CE2-CE1 3.97Å; Y131-R315 PolarHBondContact O-NH1 3.28Å
132	T	91.2	Very high	93.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.			trans	-76.7	150.9	172	169.2	0	0	0	0	111.4	D134 L135 I140 F173 W213 R315	T132-D134 VanDerWaalsContact C-N 3.26Å; T132-D134 PolarHBondContact OG1-N 2.79Å; T132-D134 VanDerWaalsContact OG1-N 3.17Å; T132-D134 PolarHBondContact OG1-OD2 2.88Å; T132-L135 HydrophobicContact CG2-CB 4.41Å; T132-I140 HydrophobicContact CG2-CD1 3.6Å; T132-I140 HydrophobicContact CG2-CG1 4.23Å; T132-F173 HydrophobicContact CG2-CD1 4.38Å; T132-F173 HydrophobicContact CG2-CE1 3.8Å; T132-F173 HydrophobicContact CG2-CZ 3.86Å; T132-W213 HydrophobicContact CG2-CB 4.04Å; T132-W213 HydrophobicContact CG2-CG 4.22Å; T132-R315 PolarHBondContact O-NH1 2.92Å
133	P	89.8	Confident	93.6	Very high	21 Å²	21	30.2 Å²	30.2	14%	0.136	15%	0.153	C	C	.	.	S	Bend	trans	-73.4	-13.9	172.1	28.7	-34.3	0	0	0	115.3	L135 R315 T335	P133-L135 VanDerWaalsContact C-N 3.31Å; P133-L135 PolarHBondContact O-N 3.01Å; P133-R315 VanDerWaalsContact CA-CZ 3.42Å; P133-R315 VanDerWaalsContact CA-NH2 3.3Å; P133-T335 PolarHBondContact O-N 3Å
134	D	90.5	Very high	93.7	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.053	12%	0.121	C	C	.	.	S	Bend	trans	-76.9	-20.1	-171.1	-56.5	-24.7	0	0	0	113.8	T132 E211 Q212 W213 M337	T132-D134 VanDerWaalsContact C-N 3.26Å; T132-D134 PolarHBondContact OG1-N 2.79Å; T132-D134 VanDerWaalsContact OG1-N 3.17Å; T132-D134 PolarHBondContact OG1-OD2 2.88Å; D134-E211 VanDerWaalsContact OD2-O 3.04Å; D134-Q212 WeakPolarHBondContact OD2-CA 3.25Å; D134-W213 HydrophobicContact CB-CB 4.23Å; D134-W213 WeakPolarHBondContact CB-O 3.45Å; D134-W213 PolarHBondContact OD2-N 3.37Å; D134-M337 WeakPolarHBondContact OD1-CE 3.27Å
135	L	92.7	Very high	93.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-135.9	141	-172.3	-62.7	173.9	0	0	0	110.6	T132 P133 V139 I140 W213 V220 L397	T132-L135 HydrophobicContact CG2-CB 4.41Å; P133-L135 VanDerWaalsContact C-N 3.31Å; P133-L135 PolarHBondContact O-N 3.01Å; L135-V139 HydrophobicContact CD2-CG1 4.43Å; L135-I140 HydrophobicContact CB-CD1 3.94Å; L135-I140 HydrophobicContact CB-CG1 3.65Å; L135-I140 HydrophobicContact CD1-CG1 4.24Å; L135-I140 VanDerWaalsContact O-CD1 3.32Å; L135-I140 WeakPolarHBondContact O-CD1 3.46Å; L135-W213 HydrophobicContact CD1-CB 4.07Å; L135-V220 HydrophobicContact CD2-CB 3.68Å; L135-V220 HydrophobicContact CD2-CG1 4.17Å; L135-V220 HydrophobicContact CD2-CG2 4.37Å; L135-L397 HydrophobicContact CD1-CB 4.21Å; L135-L397 HydrophobicContact CD1-CD2 3.97Å
136	D	93.2	Very high	93.7	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.043	15%	0.148	C	C	.	.			trans	-58.5	142.1	168.9	-178.4	93.5	0	0	0	111.5	E138 V139 I140 K222 K224	D136-E138 PolarHBondContact O-N 3.11Å; D136-E138 VanDerWaalsContact O-N 3.14Å; D136-E138 WeakPolarHBondContact OD2-CB 3.19Å; D136-E138 PolarHBondContact OD2-N 3.43Å; D136-V139 HydrophobicContact CB-CG2 4.09Å; D136-V139 WeakPolarHBondContact O-CA 3.46Å; D136-V139 VanDerWaalsContact O-CB 3.3Å; D136-V139 WeakPolarHBondContact O-CB 3.33Å; D136-V139 PolarHBondContact O-N 2.8Å; D136-I140 PolarHBondContact O-N 3.36Å; D136-I140 VanDerWaalsContact O-N 3.1Å; D136-K222 HydrophobicContact CB-CB 4.05Å; D136-K222 HydrophobicContact CB-CD 3.86Å; D136-K222 WeakPolarHBondContact OD2-CD 3.34Å; D136-K222 IonicContact OD2-NZ 3.79Å; D136-K222 PolarHBondContact OD2-NZ 3.22Å; D136-K224 IonicContact OD1-NZ 3.66Å; D136-K224 PolarHBondContact OD1-NZ 3.25Å
137	E	90.6	Very high	93.7	Very high	33 Å²	33	30.9 Å²	30.9	15%	0.154	15%	0.146	C	C	.	.	H	α-helix	trans	-55.1	-36.6	-174.7	-63.3	160.7	-173.8	0	0	113	Y131 V139 I140 N141 Y314 P333	Y131-E137 HydrophobicContact CD1-CB 4.38Å; Y131-E137 HydrophobicContact CD1-CG 4.24Å; Y131-E137 HydrophobicContact CE1-CB 4.23Å; Y131-E137 HydrophobicContact CE1-CG 4.47Å; Y131-E137 HydrophobicContact CG-CG 4.5Å; E137-V139 VanDerWaalsContact C-N 3.32Å; E137-V139 PolarHBondContact O-N 2.66Å; E137-I140 PolarHBondContact O-N 2.77Å; E137-N141 WeakPolarHBondContact O-CB 3.46Å; E137-N141 PolarHBondContact O-N 2.84Å; E137-N141 PolarHBondContact O-ND2 3.01Å; E137-Y314 HydrophobicContact CB-CE1 4.19Å; E137-Y314 HydrophobicContact CG-CD1 3.97Å; E137-Y314 HydrophobicContact CG-CE1 3.74Å; E137-Y314 WeakPolarHBondContact OE1-CD1 3Å; E137-Y314 WeakPolarHBondContact OE1-CE1 3.18Å; E137-Y314 WeakPolarHBondContact OE2-CD1 3.48Å; E137-Y314 WeakPolarHBondContact OE2-CE1 3.42Å; E137-P333 HydrophobicContact CG-CB 4.37Å; E137-P333 WeakPolarHBondContact OE1-CB 3.33Å
138	E	91.9	Very high	93.8	Very high	131 Å²	131	29.9 Å²	29.9	61%	0.612	14%	0.142	S	C	*	.	H	α-helix	trans	-66.6	-36	177.4	-63.5	-177.6	172.8	0	0	111.7	D136 N141 D142 K222	D136-E138 PolarHBondContact O-N 3.11Å; D136-E138 VanDerWaalsContact O-N 3.14Å; D136-E138 WeakPolarHBondContact OD2-CB 3.19Å; D136-E138 PolarHBondContact OD2-N 3.43Å; E138-N141 PolarHBondContact O-N 2.89Å; E138-D142 WeakPolarHBondContact O-CB 3.2Å; E138-D142 PolarHBondContact O-N 3.25Å; E138-K222 IonicContact OE2-NZ 2.89Å; E138-K222 PolarHBondContact OE2-NZ 3.07Å
139	V	94.6	Very high	93.8	Very high	10 Å²	10	34.1 Å²	34.1	6%	0.061	16%	0.16	C	C	.	.	H	α-helix	trans	-68.6	-42.5	177.9	-177	0	0	0	0	110.2	L135 D136 E137 D142 A143 L215 F232	L135-V139 HydrophobicContact CD2-CG1 4.43Å; D136-V139 HydrophobicContact CB-CG2 4.09Å; D136-V139 WeakPolarHBondContact O-CA 3.46Å; D136-V139 VanDerWaalsContact O-CB 3.3Å; D136-V139 WeakPolarHBondContact O-CB 3.33Å; D136-V139 PolarHBondContact O-N 2.8Å; E137-V139 VanDerWaalsContact C-N 3.32Å; E137-V139 PolarHBondContact O-N 2.66Å; V139-D142 PolarHBondContact O-N 3.44Å; V139-A143 VanDerWaalsContact O-CB 3.32Å; V139-A143 WeakPolarHBondContact O-CB 3.38Å; V139-A143 PolarHBondContact O-N 3.33Å; V139-L215 HydrophobicContact CG1-CD1 4.35Å; V139-L215 HydrophobicContact CG1-CD2 4.11Å; V139-L215 HydrophobicContact CG1-CG 4.45Å; V139-F232 HydrophobicContact CG2-CE1 3.68Å; V139-F232 HydrophobicContact CG2-CZ 3.77Å
140	I	95.3	Very high	94	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-47.8	175.5	-66.2	168.2	0	0	0	110.3	Y131 T132 L135 D136 E137 D142 A143 F144 L397	Y131-I140 HydrophobicContact CD1-CB 4.03Å; Y131-I140 HydrophobicContact CD1-CD1 3.69Å; Y131-I140 HydrophobicContact CD1-CG1 4.46Å; Y131-I140 HydrophobicContact CD1-CG2 3.73Å; Y131-I140 HydrophobicContact CE1-CB 4.19Å; Y131-I140 HydrophobicContact CE1-CG2 3.87Å; Y131-I140 HydrophobicContact CG-CD1 4.46Å; T132-I140 HydrophobicContact CG2-CD1 3.6Å; T132-I140 HydrophobicContact CG2-CG1 4.23Å; L135-I140 HydrophobicContact CB-CD1 3.94Å; L135-I140 HydrophobicContact CB-CG1 3.65Å; L135-I140 HydrophobicContact CD1-CG1 4.24Å; L135-I140 VanDerWaalsContact O-CD1 3.32Å; L135-I140 WeakPolarHBondContact O-CD1 3.46Å; D136-I140 PolarHBondContact O-N 3.36Å; D136-I140 VanDerWaalsContact O-N 3.1Å; E137-I140 PolarHBondContact O-N 2.77Å; I140-D142 VanDerWaalsContact C-N 3.34Å; I140-D142 PolarHBondContact O-N 3.05Å; I140-A143 PolarHBondContact O-N 3.24Å; I140-F144 HydrophobicContact CG2-CD2 3.71Å; I140-F144 HydrophobicContact CG2-CE2 3.29Å; I140-F144 HydrophobicContact CG2-CZ 4.07Å; I140-F144 WeakPolarHBondContact O-CD2 3.44Å; I140-F144 PolarHBondContact O-N 3.04Å; I140-L397 HydrophobicContact CB-CD2 4.28Å; I140-L397 HydrophobicContact CG1-CD2 4.02Å; I140-L397 HydrophobicContact CG2-CD2 4.03Å
141	N	95	Very high	94.3	Very high	34 Å²	34	31.4 Å²	31.4	18%	0.182	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-42.9	178.6	-67.7	-30.6	0	0	0	111.9	I128 Y131 E137 E138 Y145 R161	I128-N141 VanDerWaalsContact CD1-OD1 3.22Å; I128-N141 WeakPolarHBondContact CD1-OD1 3.36Å; Y131-N141 WeakPolarHBondContact CE1-OD1 3.42Å; Y131-N141 PolarHBondContact OH-OD1 2.79Å; E137-N141 WeakPolarHBondContact O-CB 3.46Å; E137-N141 PolarHBondContact O-N 2.84Å; E137-N141 PolarHBondContact O-ND2 3.01Å; E138-N141 PolarHBondContact O-N 2.89Å; N141-Y145 WeakPolarHBondContact O-CB 3.36Å; N141-Y145 PolarHBondContact O-N 3.22Å; N141-R161 PolarHBondContact ND2-NH1 2.01Å; N141-R161 PolarHBondContact OD1-NH1 3.18Å
142	D	96	Very high	94.4	Very high	74 Å²	74	31.7 Å²	31.7	40%	0.396	15%	0.149	S	C	.	.	H	α-helix	trans	-66	-42.7	174.9	175.3	73.1	0	0	0	112.2	E138 V139 I140 F144 Y145 R146	E138-D142 WeakPolarHBondContact O-CB 3.2Å; E138-D142 PolarHBondContact O-N 3.25Å; V139-D142 PolarHBondContact O-N 3.44Å; I140-D142 VanDerWaalsContact C-N 3.34Å; I140-D142 PolarHBondContact O-N 3.05Å; D142-F144 PolarHBondContact O-N 3.45Å; D142-Y145 PolarHBondContact O-N 2.83Å; D142-R146 WeakPolarHBondContact O-CB 3.44Å; D142-R146 WeakPolarHBondContact O-CG 3.36Å; D142-R146 PolarHBondContact O-N 2.92Å; D142-R146 IonicContact OD1-NE 2.84Å; D142-R146 IonicContact OD2-CZ 2.85Å; D142-R146 IonicContact OD2-NE 2.75Å; D142-R146 PolarHBondContact OD2-NE 2.88Å; D142-R146 IonicContact OD2-NH2 3.63Å; D142-R146 PolarHBondContact OD2-NH2 3.15Å; D142-R146 VanDerWaalsContact OD2-NH2 3.13Å
143	A	96.8	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-47.9	178.4	0	0	0	0	0	111.4	V139 I140 R146 A147 L397 F398	V139-A143 VanDerWaalsContact O-CB 3.32Å; V139-A143 WeakPolarHBondContact O-CB 3.38Å; V139-A143 PolarHBondContact O-N 3.33Å; I140-A143 PolarHBondContact O-N 3.24Å; A143-R146 PolarHBondContact O-N 3.3Å; A143-A147 WeakPolarHBondContact O-CB 3.16Å; A143-A147 PolarHBondContact O-N 2.66Å; A143-L397 HydrophobicContact CB-CD2 4.25Å; A143-L397 HydrophobicContact CB-CG 4.34Å; A143-F398 HydrophobicContact CB-CB 4.41Å
144	F	97.4	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-40.4	175.7	-66.3	-40.1	0	0	0	112.5	I128 I140 D142 R146 A147 F148 V171 F173 F207 L397 A401 F405	I128-F144 HydrophobicContact CD1-CD2 3.65Å; I128-F144 HydrophobicContact CD1-CE2 4.25Å; I128-F144 HydrophobicContact CG1-CD2 4.01Å; I128-F144 HydrophobicContact CG1-CE2 4.32Å; I128-F144 HydrophobicContact CG2-CE2 4.4Å; I140-F144 HydrophobicContact CG2-CD2 3.71Å; I140-F144 HydrophobicContact CG2-CE2 3.29Å; I140-F144 HydrophobicContact CG2-CZ 4.07Å; I140-F144 WeakPolarHBondContact O-CD2 3.44Å; I140-F144 PolarHBondContact O-N 3.04Å; D142-F144 PolarHBondContact O-N 3.45Å; F144-R146 PolarHBondContact O-N 3.4Å; F144-A147 PolarHBondContact O-N 2.73Å; F144-F148 VanDerWaalsContact O-CD2 3.26Å; F144-F148 WeakPolarHBondContact O-CD2 3.27Å; F144-F148 PolarHBondContact O-N 2.87Å; F144-V171 HydrophobicContact CD2-CG1 4.37Å; F144-V171 HydrophobicContact CE1-CG1 4.04Å; F144-V171 HydrophobicContact CE2-CG1 3.66Å; F144-V171 HydrophobicContact CZ-CG1 3.48Å; F144-V171 VanDerWaalsContact CZ-CG1 3.48Å; F144-F173 HydrophobicContact CE2-CE2 4.21Å; F144-F173 AromaticContact CZ-CE2 3.86Å; F144-F173 HydrophobicContact CZ-CE2 3.86Å; F144-F173 AromaticContact CZ-CZ 3.86Å; F144-F173 HydrophobicContact CZ-CZ 3.86Å; F144-F207 HydrophobicContact CE1-CE1 4.29Å; F144-F207 AromaticContact CE1-CE2 3.91Å; F144-F207 HydrophobicContact CE1-CE2 3.91Å; F144-F207 AromaticContact CE1-CZ 3.75Å; F144-F207 HydrophobicContact CE1-CZ 3.75Å; F144-F207 HydrophobicContact CZ-CD2 4.48Å; F144-F207 HydrophobicContact CZ-CE2 4.18Å; F144-F207 HydrophobicContact CZ-CZ 4.44Å; F144-L397 HydrophobicContact CE1-CD1 3.77Å; F144-L397 HydrophobicContact CE1-CD2 4.22Å; F144-L397 HydrophobicContact CE1-CG 4.02Å; F144-L397 HydrophobicContact CZ-CD1 4.02Å; F144-L397 HydrophobicContact CZ-CD2 4.11Å; F144-L397 HydrophobicContact CZ-CG 4.34Å; F144-A401 HydrophobicContact CD1-CB 3.57Å; F144-A401 HydrophobicContact CE1-CB 3.71Å; F144-F405 HydrophobicContact CB-CE2 4.3Å; F144-F405 HydrophobicContact CB-CZ 4.28Å; F144-F405 HydrophobicContact CD1-CE2 4.13Å; F144-F405 AromaticContact CD1-CZ 3.7Å; F144-F405 HydrophobicContact CD1-CZ 3.7Å; F144-F405 HydrophobicContact CE1-CZ 4.38Å; F144-F405 HydrophobicContact CG-CZ 4.23Å
145	Y	96.7	Very high	94.5	Very high	129 Å²	129	34.3 Å²	34.3	51%	0.506	16%	0.162	S	C	.	.	H	α-helix	trans	-59.4	-46.8	175.2	175.5	-99.6	0	0	0	111.8	N141 D142 A147 F148 K149	N141-Y145 WeakPolarHBondContact O-CB 3.36Å; N141-Y145 PolarHBondContact O-N 3.22Å; D142-Y145 PolarHBondContact O-N 2.83Å; Y145-A147 VanDerWaalsContact C-N 3.35Å; Y145-F148 PolarHBondContact O-N 3.1Å; Y145-K149 HydrophobicContact CE1-CD 4.48Å; Y145-K149 WeakPolarHBondContact O-CB 3.26Å; Y145-K149 PolarHBondContact O-N 3.06Å
146	R	96.4	Very high	94.5	Very high	79 Å²	79	35.9 Å²	35.9	30%	0.298	17%	0.173	S	C	.	.	H	α-helix	trans	-63.3	-40.1	175.6	-74.4	-169.9	-72.6	120.4	-2.5	111.8	D142 A143 F144 K149 V150 F398	D142-R146 WeakPolarHBondContact O-CB 3.44Å; D142-R146 WeakPolarHBondContact O-CG 3.36Å; D142-R146 PolarHBondContact O-N 2.92Å; D142-R146 IonicContact OD1-NE 2.84Å; D142-R146 IonicContact OD2-CZ 2.85Å; D142-R146 IonicContact OD2-NE 2.75Å; D142-R146 PolarHBondContact OD2-NE 2.88Å; D142-R146 IonicContact OD2-NH2 3.63Å; D142-R146 PolarHBondContact OD2-NH2 3.15Å; D142-R146 VanDerWaalsContact OD2-NH2 3.13Å; A143-R146 PolarHBondContact O-N 3.3Å; F144-R146 PolarHBondContact O-N 3.4Å; R146-K149 WeakPolarHBondContact O-CA 3.32Å; R146-K149 VanDerWaalsContact O-CB 3.28Å; R146-K149 WeakPolarHBondContact O-CB 3.46Å; R146-K149 PolarHBondContact O-N 3.15Å; R146-K149 VanDerWaalsContact O-N 3.12Å; R146-V150 PolarHBondContact O-N 3.23Å; R146-V150 VanDerWaalsContact O-N 3.13Å; R146-F398 HydrophobicContact CB-CD2 3.7Å; R146-F398 HydrophobicContact CB-CE2 3.66Å
147	A	97.6	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-44.8	177.1	0	0	0	0	0	112.1	A143 F144 Y145 K149 V150 F398 A401 A402 F405	A143-A147 WeakPolarHBondContact O-CB 3.16Å; A143-A147 PolarHBondContact O-N 2.66Å; F144-A147 PolarHBondContact O-N 2.73Å; Y145-A147 VanDerWaalsContact C-N 3.35Å; A147-K149 VanDerWaalsContact C-N 3.28Å; A147-K149 PolarHBondContact O-N 2.93Å; A147-V150 WeakPolarHBondContact O-CB 3.31Å; A147-V150 PolarHBondContact O-N 2.57Å; A147-F398 HydrophobicContact CB-CD2 4.27Å; A147-A401 HydrophobicContact CB-CB 3.86Å; A147-A402 HydrophobicContact CB-CB 3.99Å; A147-F405 HydrophobicContact CB-CD2 3.68Å; A147-F405 HydrophobicContact CB-CE2 3.65Å
148	F	97.2	Very high	94.7	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.013	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-34.6	171.4	-79.1	-59.6	0	0	0	112.6	Y126 F144 Y145 V150 W151 S152 F159 I169 F405	Y126-F148 AromaticContact CD1-CD2 3.91Å; Y126-F148 HydrophobicContact CD1-CD2 3.91Å; Y126-F148 AromaticContact CD1-CE2 3.6Å; Y126-F148 HydrophobicContact CD1-CE2 3.6Å; Y126-F148 HydrophobicContact CD1-CZ 4.13Å; Y126-F148 HydrophobicContact CD2-CD2 4.34Å; Y126-F148 AromaticContact CD2-CE2 3.58Å; Y126-F148 HydrophobicContact CD2-CE2 3.58Å; Y126-F148 HydrophobicContact CD2-CZ 4.34Å; Y126-F148 AromaticContact CE1-CD2 3.8Å; Y126-F148 HydrophobicContact CE1-CD2 3.8Å; Y126-F148 AromaticContact CE1-CE2 3.91Å; Y126-F148 HydrophobicContact CE1-CE2 3.91Å; Y126-F148 HydrophobicContact CE2-CD2 4.26Å; Y126-F148 AromaticContact CE2-CE2 3.91Å; Y126-F148 HydrophobicContact CE2-CE2 3.91Å; Y126-F148 HydrophobicContact CG-CD2 4.17Å; Y126-F148 AromaticContact CG-CE2 3.41Å; Y126-F148 HydrophobicContact CG-CE2 3.41Å; Y126-F148 VanDerWaalsContact CG-CE2 3.41Å; Y126-F148 AromaticContact CG-CZ 3.86Å; Y126-F148 HydrophobicContact CG-CZ 3.86Å; Y126-F148 AromaticContact CZ-CD2 3.98Å; F144-F148 VanDerWaalsContact O-CD2 3.26Å; F144-F148 WeakPolarHBondContact O-CD2 3.27Å; F144-F148 PolarHBondContact O-N 2.87Å; Y145-F148 PolarHBondContact O-N 3.1Å; F148-V150 VanDerWaalsContact C-N 3.28Å; F148-V150 PolarHBondContact O-N 3.32Å; F148-W151 PolarHBondContact O-N 3.43Å; F148-S152 PolarHBondContact O-N 2.63Å; F148-S152 VanDerWaalsContact O-N 3.08Å; F148-F159 HydrophobicContact CB-CB 4.05Å; F148-F159 HydrophobicContact CB-CD2 3.74Å; F148-F159 HydrophobicContact CB-CE2 4.34Å; F148-F159 HydrophobicContact CB-CG 3.85Å; F148-F159 HydrophobicContact CD1-CB 4.23Å; F148-F159 AromaticContact CD1-CD1 3.38Å; F148-F159 HydrophobicContact CD1-CD1 3.38Å; F148-F159 AromaticContact CD1-CD2 3.97Å; F148-F159 HydrophobicContact CD1-CD2 3.97Å; F148-F159 AromaticContact CD1-CE1 3.6Å; F148-F159 HydrophobicContact CD1-CE1 3.6Å; F148-F159 HydrophobicContact CD1-CE2 4.16Å; F148-F159 AromaticContact CD1-CG 3.58Å; F148-F159 HydrophobicContact CD1-CG 3.58Å; F148-F159 AromaticContact CD1-CZ 3.99Å; F148-F159 HydrophobicContact CD1-CZ 3.99Å; F148-F159 AromaticContact CE1-CD1 3.74Å; F148-F159 HydrophobicContact CE1-CD1 3.74Å; F148-F159 AromaticContact CE1-CE1 3.92Å; F148-F159 HydrophobicContact CE1-CE1 3.92Å; F148-F159 HydrophobicContact CE1-CG 4.34Å; F148-F159 HydrophobicContact CG-CB 4.06Å; F148-F159 HydrophobicContact CG-CD1 4.08Å; F148-F159 HydrophobicContact CG-CD2 4.17Å; F148-F159 AromaticContact CG-CG 3.83Å; F148-F159 HydrophobicContact CG-CG 3.83Å; F148-F159 WeakPolarHBondContact O-CE2 3.29Å; F148-I169 HydrophobicContact CE1-CD1 3.79Å; F148-I169 HydrophobicContact CZ-CD1 4.11Å; F148-I169 HydrophobicContact CZ-CG2 4.18Å; F148-F405 HydrophobicContact CD1-CB 4.31Å; F148-F405 AromaticContact CD1-CD2 3.64Å; F148-F405 HydrophobicContact CD1-CD2 3.64Å; F148-F405 HydrophobicContact CD1-CE2 4.11Å; F148-F405 AromaticContact CD1-CG 3.99Å; F148-F405 HydrophobicContact CD1-CG 3.99Å; F148-F405 AromaticContact CD2-CD2 3.94Å; F148-F405 HydrophobicContact CD2-CD2 3.94Å; F148-F405 AromaticContact CD2-CE2 3.53Å; F148-F405 HydrophobicContact CD2-CE2 3.53Å; F148-F405 HydrophobicContact CD2-CZ 4.12Å; F148-F405 HydrophobicContact CE1-CB 4.05Å; F148-F405 AromaticContact CE1-CD1 3.88Å; F148-F405 HydrophobicContact CE1-CD1 3.88Å; F148-F405 AromaticContact CE1-CD2 3.58Å; F148-F405 HydrophobicContact CE1-CD2 3.58Å; F148-F405 HydrophobicContact CE1-CE1 4.22Å; F148-F405 AromaticContact CE1-CE2 3.94Å; F148-F405 HydrophobicContact CE1-CE2 3.94Å; F148-F405 AromaticContact CE1-CG 3.56Å; F148-F405 HydrophobicContact CE1-CG 3.56Å; F148-F405 HydrophobicContact CE1-CZ 4.25Å; F148-F405 HydrophobicContact CE2-CD1 4.49Å; F148-F405 AromaticContact CE2-CD2 3.88Å; F148-F405 HydrophobicContact CE2-CD2 3.88Å; F148-F405 HydrophobicContact CE2-CE1 4.04Å; F148-F405 AromaticContact CE2-CE2 3.33Å; F148-F405 HydrophobicContact CE2-CE2 3.33Å; F148-F405 HydrophobicContact CE2-CG 4.43Å; F148-F405 AromaticContact CE2-CZ 3.43Å; F148-F405 HydrophobicContact CE2-CZ 3.43Å; F148-F405 VanDerWaalsContact CE2-CZ 3.43Å; F148-F405 AromaticContact CG-CD2 3.81Å; F148-F405 HydrophobicContact CG-CD2 3.81Å; F148-F405 AromaticContact CG-CE2 3.91Å; F148-F405 HydrophobicContact CG-CE2 3.91Å; F148-F405 AromaticContact CZ-CD1 3.75Å; F148-F405 HydrophobicContact CZ-CD1 3.75Å; F148-F405 AromaticContact CZ-CD2 3.7Å; F148-F405 HydrophobicContact CZ-CD2 3.7Å; F148-F405 AromaticContact CZ-CE1 3.61Å; F148-F405 HydrophobicContact CZ-CE1 3.61Å; F148-F405 AromaticContact CZ-CE2 3.55Å; F148-F405 HydrophobicContact CZ-CE2 3.55Å; F148-F405 AromaticContact CZ-CG 3.81Å; F148-F405 HydrophobicContact CZ-CG 3.81Å; F148-F405 AromaticContact CZ-CZ 3.51Å; F148-F405 HydrophobicContact CZ-CZ 3.51Å
149	K	94.8	Very high	95	Very high	93 Å²	93	31.9 Å²	31.9	40%	0.404	16%	0.159	S	C	.	.	H	α-helix	trans	-59.9	-39.6	179.3	-168.1	179.1	175.1	-169.6	0	111.9	Y145 R146 A147 W151 S152 D153	Y145-K149 HydrophobicContact CE1-CD 4.48Å; Y145-K149 WeakPolarHBondContact O-CB 3.26Å; Y145-K149 PolarHBondContact O-N 3.06Å; R146-K149 WeakPolarHBondContact O-CA 3.32Å; R146-K149 VanDerWaalsContact O-CB 3.28Å; R146-K149 WeakPolarHBondContact O-CB 3.46Å; R146-K149 PolarHBondContact O-N 3.15Å; R146-K149 VanDerWaalsContact O-N 3.12Å; A147-K149 VanDerWaalsContact C-N 3.28Å; A147-K149 PolarHBondContact O-N 2.93Å; K149-W151 PolarHBondContact O-N 2.74Å; K149-S152 WeakPolarHBondContact CA-OG 3.37Å; K149-S152 PolarHBondContact O-N 3.16Å; K149-S152 VanDerWaalsContact O-N 3.12Å; K149-S152 PolarHBondContact O-OG 3.19Å; K149-S152 VanDerWaalsContact O-OG 3.05Å; K149-D153 WeakPolarHBondContact CE-OD2 3.33Å; K149-D153 WeakPolarHBondContact O-CB 3.32Å; K149-D153 PolarHBondContact O-N 2.73Å
150	V	95.1	Very high	95.1	Very high	20 Å²	20	35.1 Å²	35.1	12%	0.121	18%	0.179	C	C	.	.	H	α-helix	trans	-47.1	-46.6	175.2	173	0	0	0	0	111.3	R146 A147 F148 F398 L420 F431 L433	R146-V150 PolarHBondContact O-N 3.23Å; R146-V150 VanDerWaalsContact O-N 3.13Å; A147-V150 WeakPolarHBondContact O-CB 3.31Å; A147-V150 PolarHBondContact O-N 2.57Å; F148-V150 VanDerWaalsContact C-N 3.28Å; F148-V150 PolarHBondContact O-N 3.32Å; V150-F398 HydrophobicContact CG2-CE2 3.98Å; V150-F398 HydrophobicContact CG2-CZ 3.92Å; V150-L420 HydrophobicContact CG1-CD2 4.43Å; V150-F431 HydrophobicContact CG1-CE1 3.89Å; V150-F431 HydrophobicContact CG1-CZ 4.37Å; V150-F431 HydrophobicContact CG2-CD1 4.45Å; V150-F431 HydrophobicContact CG2-CE1 3.89Å; V150-L433 HydrophobicContact CG1-CB 4.34Å; V150-L433 HydrophobicContact CG1-CD1 3.74Å; V150-L433 HydrophobicContact CG1-CD2 3.97Å; V150-L433 HydrophobicContact CG1-CG 4.24Å
151	W	95.4	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-79.1	-39.8	-179.3	-58.6	114.4	0	0	0	113	F148 K149 D153 V154 T155 F159 A402 L409 L411 L420 M421 L433 D437 I441	F148-W151 PolarHBondContact O-N 3.43Å; K149-W151 PolarHBondContact O-N 2.74Å; W151-D153 PolarHBondContact O-N 3.3Å; W151-V154 PolarHBondContact O-N 3.14Å; W151-T155 WeakPolarHBondContact O-CB 3.43Å; W151-T155 WeakPolarHBondContact O-CG2 3.36Å; W151-T155 PolarHBondContact O-N 3.02Å; W151-T155 VanDerWaalsContact O-N 3.17Å; W151-T155 PolarHBondContact O-OG1 3.29Å; W151-F159 HydrophobicContact CB-CE2 4.29Å; W151-F159 HydrophobicContact CB-CZ 4.43Å; W151-A402 WeakPolarHBondContact CZ2-O 3.25Å; W151-A402 PolarHBondContact NE1-O 2.87Å; W151-L409 HydrophobicContact CB-CD1 3.66Å; W151-L409 HydrophobicContact CD2-CD1 4.12Å; W151-L409 HydrophobicContact CG-CD1 3.59Å; W151-L411 HydrophobicContact CE3-CD1 4.3Å; W151-L411 HydrophobicContact CH2-CD1 3.3Å; W151-L411 HydrophobicContact CZ2-CD1 4.04Å; W151-L411 HydrophobicContact CZ3-CD1 3.45Å; W151-L411 VanDerWaalsContact CZ3-CD1 3.45Å; W151-L420 HydrophobicContact CH2-CD2 4.18Å; W151-L420 HydrophobicContact CZ2-CD2 3.66Å; W151-M421 HydrophobicContact CH2-CG 4.19Å; W151-M421 HydrophobicContact CH2-SD 4.08Å; W151-M421 HydrophobicContact CZ2-SD 3.95Å; W151-L433 HydrophobicContact CE3-CD2 4.21Å; W151-L433 HydrophobicContact CH2-CD1 3.95Å; W151-L433 HydrophobicContact CZ3-CD1 4.02Å; W151-L433 HydrophobicContact CZ3-CD2 4.03Å; W151-D437 HydrophobicContact CH2-CB 4.21Å; W151-D437 HydrophobicContact CZ3-CB 4.25Å; W151-I441 HydrophobicContact CE3-CB 4.02Å; W151-I441 HydrophobicContact CE3-CD1 4.26Å; W151-I441 HydrophobicContact CE3-CG1 3.89Å; W151-I441 HydrophobicContact CE3-CG2 4.06Å; W151-I441 HydrophobicContact CZ3-CB 3.99Å; W151-I441 HydrophobicContact CZ3-CG1 4.32Å; W151-I441 HydrophobicContact CZ3-CG2 4.13Å
152	S	93.8	Very high	95.1	Very high	20 Å²	20	38.9 Å²	38.9	14%	0.14	19%	0.193	C	C	.	.	H	α-helix	trans	-70.1	-17.2	179.1	73.6	0	0	0	0	114.5	F148 K149 T155 L157 K451	F148-S152 PolarHBondContact O-N 2.63Å; F148-S152 VanDerWaalsContact O-N 3.08Å; K149-S152 WeakPolarHBondContact CA-OG 3.37Å; K149-S152 PolarHBondContact O-N 3.16Å; K149-S152 VanDerWaalsContact O-N 3.12Å; K149-S152 PolarHBondContact O-OG 3.19Å; K149-S152 VanDerWaalsContact O-OG 3.05Å; S152-T155 VanDerWaalsContact O-O 3.1Å; S152-L157 WeakPolarHBondContact CB-O 3.01Å; S152-K451 PolarHBondContact O-NZ 3.08Å
153	D	91.8	Very high	94.8	Very high	63 Å²	63	40.5 Å²	40.5	34%	0.337	20%	0.2	S	C	.	.	H	α-helix	trans	-77.3	-25.2	176	-80.7	-17.2	0	0	0	112.5	K149 W151 K451	K149-D153 WeakPolarHBondContact CE-OD2 3.33Å; K149-D153 WeakPolarHBondContact O-CB 3.32Å; K149-D153 PolarHBondContact O-N 2.73Å; W151-D153 PolarHBondContact O-N 3.3Å; D153-K451 IonicContact OD1-NZ 3.45Å; D153-K451 PolarHBondContact OD1-NZ 2.99Å
154	V	90.6	Very high	94.5	Very high	20 Å²	20	46.3 Å²	46.3	12%	0.121	23%	0.231	C	C	.	.	H	α-helix	trans	-112.1	2.9	-179	-58.5	0	0	0	0	114	W151 L433 I438 I441 Q442 P448	W151-V154 PolarHBondContact O-N 3.14Å; V154-L433 HydrophobicContact CG1-CD2 4.35Å; V154-L433 HydrophobicContact CG2-CD2 3.75Å; V154-I438 HydrophobicContact CG1-CD1 4.49Å; V154-I438 HydrophobicContact CG1-CG1 4.22Å; V154-I441 HydrophobicContact CG2-CG2 3.82Å; V154-Q442 WeakPolarHBondContact O-CG 3.29Å; V154-Q442 PolarHBondContact O-NE2 3.04Å; V154-P448 WeakPolarHBondContact O-CD 3.48Å
155	T	91.4	Very high	94.2	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.249	C	C	.	.	S	Bend	trans	-135.8	165.1	179.4	65.7	0	0	0	0	112	W151 S152 L157 I441	W151-T155 WeakPolarHBondContact O-CB 3.43Å; W151-T155 WeakPolarHBondContact O-CG2 3.36Å; W151-T155 PolarHBondContact O-N 3.02Å; W151-T155 VanDerWaalsContact O-N 3.17Å; W151-T155 PolarHBondContact O-OG1 3.29Å; S152-T155 VanDerWaalsContact O-O 3.1Å; T155-L157 PolarHBondContact O-N 3.1Å; T155-L157 WeakPolarHBondContact OG1-CB 3.36Å; T155-L157 PolarHBondContact OG1-N 2.9Å; T155-I441 HydrophobicContact CG2-CB 4.21Å; T155-I441 HydrophobicContact CG2-CG1 3.48Å; T155-I441 VanDerWaalsContact CG2-CG1 3.48Å; T155-I441 HydrophobicContact CG2-CG2 3.74Å
156	P	92.6	Very high	94	Very high	34 Å²	34	49.1 Å²	49.1	22%	0.221	26%	0.258	C	S	.	.	S	Bend	trans	-80.7	15.3	170.4	35.2	-38.3	0	0	0	113.4	K122 Y445 G446	K122-P156 HydrophobicContact CD-CB 4.33Å; K122-P156 HydrophobicContact CD-CG 4.4Å; P156-Y445 WeakPolarHBondContact CG-O 3.31Å; P156-G446 WeakPolarHBondContact CD-O 3.35Å
157	L	94.4	Very high	93.9	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	25%	0.248	C	C	.	.			trans	-77.9	145.2	178.4	-64.6	177	0	0	0	111	K122 I124 S152 T155 F159 L409 Y445	K122-L157 HydrophobicContact CB-CD2 4.35Å; K122-L157 WeakPolarHBondContact O-CA 3.37Å; I124-L157 HydrophobicContact CD1-CD1 4.21Å; I124-L157 HydrophobicContact CD1-CD2 4Å; S152-L157 WeakPolarHBondContact CB-O 3.01Å; T155-L157 PolarHBondContact O-N 3.1Å; T155-L157 WeakPolarHBondContact OG1-CB 3.36Å; T155-L157 PolarHBondContact OG1-N 2.9Å; L157-F159 HydrophobicContact CB-CE2 4.09Å; L157-F159 HydrophobicContact CB-CZ 4.04Å; L157-F159 HydrophobicContact CD1-CZ 4.09Å; L157-L409 HydrophobicContact CD1-CD1 4.16Å; L157-L409 HydrophobicContact CD1-CD2 3.61Å; L157-L409 HydrophobicContact CD1-CG 4.47Å; L157-Y445 HydrophobicContact CD1-CD1 3.97Å; L157-Y445 HydrophobicContact CD1-CD2 3.89Å; L157-Y445 HydrophobicContact CD1-CE1 4.14Å; L157-Y445 HydrophobicContact CD1-CE2 4.07Å; L157-Y445 HydrophobicContact CD1-CG 3.84Å; L157-Y445 HydrophobicContact CD2-CD1 3.58Å; L157-Y445 HydrophobicContact CD2-CE1 3.91Å; L157-Y445 HydrophobicContact CD2-CG 4.15Å; L157-Y445 HydrophobicContact CG-CD1 4.02Å; L157-Y445 HydrophobicContact CG-CG 4.06Å
158	S	94.7	Very high	93.8	Very high	49 Å²	49	47 Å²	47	34%	0.343	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.8	170.5	59.4	0	0	0	0	109.9	K122 E123 I124	K122-S158 PolarHBondContact O-N 3.43Å; E123-S158 WeakPolarHBondContact CG-OG 3.19Å; I124-S158 PolarHBondContact N-O 3.42Å
159	F	96.8	Very high	93.8	Very high	33 Å²	33	46.9 Å²	46.9	15%	0.145	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.8	-177.8	-59.1	-80.8	0	0	0	109.6	I124 Y126 F148 W151 L157 L409	I124-F159 HydrophobicContact CB-CD1 3.88Å; I124-F159 HydrophobicContact CB-CE1 3.99Å; I124-F159 HydrophobicContact CD1-CE1 3.86Å; I124-F159 HydrophobicContact CD1-CZ 4.48Å; I124-F159 HydrophobicContact CG1-CE1 4.46Å; I124-F159 HydrophobicContact CG2-CD1 4.12Å; I124-F159 HydrophobicContact CG2-CE1 4.19Å; I124-F159 CarbonylContact O-C 3.48Å; I124-F159 VanDerWaalsContact O-CA 3.28Å; I124-F159 WeakPolarHBondContact O-CA 3.32Å; Y126-F159 HydrophobicContact CD1-CB 4.2Å; Y126-F159 HydrophobicContact CE1-CB 4.2Å; F148-F159 HydrophobicContact CB-CB 4.05Å; F148-F159 HydrophobicContact CB-CD2 3.74Å; F148-F159 HydrophobicContact CB-CE2 4.34Å; F148-F159 HydrophobicContact CB-CG 3.85Å; F148-F159 HydrophobicContact CD1-CB 4.23Å; F148-F159 AromaticContact CD1-CD1 3.38Å; F148-F159 HydrophobicContact CD1-CD1 3.38Å; F148-F159 AromaticContact CD1-CD2 3.97Å; F148-F159 HydrophobicContact CD1-CD2 3.97Å; F148-F159 AromaticContact CD1-CE1 3.6Å; F148-F159 HydrophobicContact CD1-CE1 3.6Å; F148-F159 HydrophobicContact CD1-CE2 4.16Å; F148-F159 AromaticContact CD1-CG 3.58Å; F148-F159 HydrophobicContact CD1-CG 3.58Å; F148-F159 AromaticContact CD1-CZ 3.99Å; F148-F159 HydrophobicContact CD1-CZ 3.99Å; F148-F159 AromaticContact CE1-CD1 3.74Å; F148-F159 HydrophobicContact CE1-CD1 3.74Å; F148-F159 AromaticContact CE1-CE1 3.92Å; F148-F159 HydrophobicContact CE1-CE1 3.92Å; F148-F159 HydrophobicContact CE1-CG 4.34Å; F148-F159 HydrophobicContact CG-CB 4.06Å; F148-F159 HydrophobicContact CG-CD1 4.08Å; F148-F159 HydrophobicContact CG-CD2 4.17Å; F148-F159 AromaticContact CG-CG 3.83Å; F148-F159 HydrophobicContact CG-CG 3.83Å; F148-F159 WeakPolarHBondContact O-CE2 3.29Å; W151-F159 HydrophobicContact CB-CE2 4.29Å; W151-F159 HydrophobicContact CB-CZ 4.43Å; L157-F159 HydrophobicContact CB-CE2 4.09Å; L157-F159 HydrophobicContact CB-CZ 4.04Å; L157-F159 HydrophobicContact CD1-CZ 4.09Å; F159-L409 HydrophobicContact CE1-CD2 3.92Å; F159-L409 HydrophobicContact CZ-CD1 3.96Å; F159-L409 HydrophobicContact CZ-CD2 3.9Å; F159-L409 HydrophobicContact CZ-CG 4.44Å
160	T	96.4	Very high	93.9	Very high	78 Å²	78	43.6 Å²	43.6	48%	0.479	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.7	179.8	-54.7	0	0	0	0	110	I124 T125 Y126	I124-T160 PolarHBondContact O-N 2.86Å; T125-T160 WeakPolarHBondContact CA-O 3.5Å; Y126-T160 PolarHBondContact N-O 2.8Å
161	R	95.6	Very high	94	Very high	69 Å²	69	42.6 Å²	42.6	26%	0.26	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	131.6	174.5	-171.5	176.9	167.7	176.5	2	110.1	Y126 Y131 N141 M163	Y126-R161 HydrophobicContact CD2-CG 4.36Å; Y126-R161 HydrophobicContact CE1-CB 3.92Å; Y126-R161 HydrophobicContact CE2-CB 3.92Å; Y126-R161 HydrophobicContact CE2-CG 3.88Å; Y126-R161 CarbonylContact O-C 3.58Å; Y126-R161 VanDerWaalsContact O-CA 3.31Å; Y126-R161 WeakPolarHBondContact O-CA 3.32Å; Y131-R161 PolarHBondContact OH-NH2 3.17Å; N141-R161 PolarHBondContact ND2-NH1 2.01Å; N141-R161 PolarHBondContact OD1-NH1 3.18Å; R161-M163 HydrophobicContact CG-SD 4.46Å; R161-M163 PolarHBondContact NE-SD 3.3Å; R161-M163 VanDerWaalsContact NE-SD 3.42Å
162	I	95.3	Very high	94	Very high	43 Å²	43	45 Å²	45	22%	0.221	25%	0.247	C	C	.	.			trans	-112.8	151.2	167.5	67.5	174.6	0	0	0	110	T125 Y126 R127 A167	T125-I162 HydrophobicContact CG2-CG2 3.94Å; Y126-I162 PolarHBondContact O-N 2.99Å; R127-I162 HydrophobicContact CB-CG1 4.13Å; I162-A167 HydrophobicContact CD1-CB 3.6Å; I162-A167 HydrophobicContact CG1-CB 3.83Å
163	M	90.9	Very high	94	Very high	109 Å²	109	44.9 Å²	44.9	54%	0.537	24%	0.244	S	C	.	.	S	Bend	trans	-103.6	-19.5	-176.7	-60	-58.8	-69	0	0	113	R127 R161	R127-M163 PolarHBondContact NE-O 3.18Å; R127-M163 PolarHBondContact NH2-O 2.01Å; R161-M163 HydrophobicContact CG-SD 4.46Å; R161-M163 PolarHBondContact NE-SD 3.3Å; R161-M163 VanDerWaalsContact NE-SD 3.42Å
164	D	89.3	Confident	93.9	Very high	122 Å²	122	42.3 Å²	42.3	65%	0.652	23%	0.232	S	C	*	.	S	Bend	trans	-138.4	155.4	-177.7	-174.6	34.9	0	0	0	110.8	R127	R127-D164 IonicContact NH1-OD1 3.68Å
165	G	91	Very high	93.7	Very high	37 Å²	37	47.1 Å²	47.1	38%	0.381	25%	0.248	S	C	.	.	S	Bend	trans	77.4	-171.5	-174.4	0	0	0	0	0	114.8	R127	R127-G165 WeakPolarHBondContact CD-O 3.21Å; R127-G165 VanDerWaalsContact NH1-N 3.17Å; R127-G165 PolarHBondContact NH1-O 2.96Å
166	E	92.8	Very high	93.5	Very high	150 Å²	150	51 Å²	51	70%	0.701	27%	0.269	S	S	*	.			trans	-88.5	127	177	-168.2	176.9	177.1	0	0	109.4
167	A	94.9	Very high	93.3	Very high	10 Å²	10	54.4 Å²	54.4	8%	0.083	28%	0.282	C	S	.	.			trans	-97.3	174.5	175.4	0	0	0	0	0	110.5	R127 I162 I169 M170	R127-A167 HydrophobicContact CB-CB 3.78Å; I162-A167 HydrophobicContact CD1-CB 3.6Å; I162-A167 HydrophobicContact CG1-CB 3.83Å; A167-I169 VanDerWaalsContact C-N 3.31Å; A167-M170 HydrophobicContact CB-SD 3.68Å; A167-M170 PolarHBondContact N-SD 3.43Å
168	D	95.7	Very high	93.1	Very high	25 Å²	25	55.9 Å²	55.9	13%	0.134	29%	0.289	C	S	.	.	S	Bend	trans	-73.3	-28.4	171.3	-57.8	-58.7	0	0	0	112.9	W119 K121 I124 T125	W119-D168 HydrophobicContact CH2-CB 3.97Å; W119-D168 HydrophobicContact CZ2-CB 4.14Å; W119-D168 HydrophobicContact CZ3-CB 4.38Å; K121-D168 WeakPolarHBondContact CE-OD1 3.1Å; K121-D168 WeakPolarHBondContact CE-OD2 3Å; K121-D168 IonicContact NZ-OD1 3.93Å; K121-D168 PolarHBondContact NZ-OD1 3.13Å; K121-D168 IonicContact NZ-OD2 3.96Å; K121-D168 PolarHBondContact NZ-OD2 2.82Å; I124-D168 WeakPolarHBondContact CA-OD2 3.44Å; I124-D168 HydrophobicContact CG2-CB 3.76Å; T125-D168 PolarHBondContact N-OD2 2.87Å; T125-D168 WeakPolarHBondContact O-CB 3.46Å; T125-D168 PolarHBondContact O-N 2.93Å; T125-D168 PolarHBondContact OG1-N 2Å; T125-D168 PolarHBondContact OG1-OD2 2.87Å
169	I	97.1	Very high	92.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	108.7	179.8	-63.2	173.8	0	0	0	107.4	I124 T125 Y126 R127 F148 A167 V171 G203 F405 A408	I124-I169 HydrophobicContact CG2-CD1 3.91Å; I124-I169 HydrophobicContact CG2-CG1 4.27Å; T125-I169 PolarHBondContact O-N 2.85Å; T125-I169 VanDerWaalsContact O-N 3.14Å; Y126-I169 CarbonylContact C-O 3.57Å; Y126-I169 WeakPolarHBondContact CA-O 3.4Å; R127-I169 PolarHBondContact N-O 2.02Å; F148-I169 HydrophobicContact CE1-CD1 3.79Å; F148-I169 HydrophobicContact CZ-CD1 4.11Å; F148-I169 HydrophobicContact CZ-CG2 4.18Å; A167-I169 VanDerWaalsContact C-N 3.31Å; I169-V171 HydrophobicContact CG2-CG2 4.01Å; I169-G203 WeakPolarHBondContact CG2-O 3.05Å; I169-F405 HydrophobicContact CG2-CE1 4.49Å; I169-A408 HydrophobicContact CD1-CB 3.86Å; I169-A408 HydrophobicContact CG1-CB 4.23Å
170	M	96.1	Very high	92.2	Very high	24 Å²	24	57 Å²	57	12%	0.118	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.3	170.8	-50.7	-65.6	-72.7	0	0	108.9	R127 L129 A167 D204 S205	R127-M170 HydrophobicContact CB-CE 4.26Å; R127-M170 HydrophobicContact CB-SD 3.97Å; R127-M170 HydrophobicContact CG-CE 4.32Å; L129-M170 HydrophobicContact CD1-CB 4.02Å; L129-M170 HydrophobicContact CD1-CE 3.63Å; L129-M170 HydrophobicContact CD2-CE 3.51Å; L129-M170 HydrophobicContact CG-CE 3.67Å; A167-M170 HydrophobicContact CB-SD 3.68Å; A167-M170 PolarHBondContact N-SD 3.43Å; M170-D204 HydrophobicContact CB-CB 4.48Å; M170-D204 WeakPolarHBondContact CB-OD1 2.97Å; M170-D204 VanDerWaalsContact CG-OD1 3.29Å; M170-D204 WeakPolarHBondContact CG-OD1 3.48Å; M170-D204 PolarHBondContact N-OD1 3.21Å; M170-D204 WeakPolarHBondContact O-CA 2.96Å; M170-S205 PolarHBondContact O-N 2.89Å
171	V	96.9	Very high	91.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.1	-179.4	177.4	0	0	0	0	109.3	R127 I128 L129 F144 I169 S205 F207 F405	R127-V171 PolarHBondContact O-N 2.85Å; I128-V171 HydrophobicContact CG1-CB 4.43Å; L129-V171 PolarHBondContact N-O 3.02Å; F144-V171 HydrophobicContact CD2-CG1 4.37Å; F144-V171 HydrophobicContact CE1-CG1 4.04Å; F144-V171 HydrophobicContact CE2-CG1 3.66Å; F144-V171 HydrophobicContact CZ-CG1 3.48Å; F144-V171 VanDerWaalsContact CZ-CG1 3.48Å; I169-V171 HydrophobicContact CG2-CG2 4.01Å; V171-S205 WeakPolarHBondContact CA-O 3.22Å; V171-F207 HydrophobicContact CG1-CD2 4.11Å; V171-F207 HydrophobicContact CG1-CE2 3.72Å; V171-F405 HydrophobicContact CG2-CE1 3.93Å; V171-F405 HydrophobicContact CG2-CZ 4.18Å
172	N	95.1	Very high	91.4	Very high	49 Å²	49	59 Å²	59	26%	0.262	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.4	-179.9	-164	31.7	0	0	0	112.9	L129 G130 S205 H206 F207	L129-N172 HydrophobicContact CB-CB 4.33Å; G130-N172 WeakPolarHBondContact CA-OD1 3.48Å; G130-N172 PolarHBondContact N-OD1 3.18Å; N172-S205 PolarHBondContact N-O 2.83Å; N172-H206 WeakPolarHBondContact O-CA 3.48Å; N172-F207 PolarHBondContact O-N 2.99Å
173	F	94.6	Very high	91.2	Very high	18 Å²	18	59.7 Å²	59.7	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.9	169.5	-69	-98.3	0	0	0	108.4	G130 T132 F144 F207 D209 W213 L397	G130-F173 WeakPolarHBondContact O-CD2 3.48Å; T132-F173 HydrophobicContact CG2-CD1 4.38Å; T132-F173 HydrophobicContact CG2-CE1 3.8Å; T132-F173 HydrophobicContact CG2-CZ 3.86Å; F144-F173 HydrophobicContact CE2-CE2 4.21Å; F144-F173 AromaticContact CZ-CE2 3.86Å; F144-F173 HydrophobicContact CZ-CE2 3.86Å; F144-F173 AromaticContact CZ-CZ 3.86Å; F144-F173 HydrophobicContact CZ-CZ 3.86Å; F173-F207 CarbonylContact C-O 3.51Å; F173-F207 VanDerWaalsContact CA-O 3.32Å; F173-F207 WeakPolarHBondContact CA-O 3.49Å; F173-F207 HydrophobicContact CD1-CB 3.57Å; F173-F207 HydrophobicContact CE1-CB 3.64Å; F173-F207 HydrophobicContact CE1-CG 4.19Å; F173-F207 HydrophobicContact CG-CB 4.22Å; F173-F207 HydrophobicContact CZ-CB 4.33Å; F173-F207 HydrophobicContact CZ-CG 4.47Å; F173-D209 HydrophobicContact CB-CB 4.07Å; F173-W213 AromaticContact CD1-NE1 3.73Å; F173-W213 AromaticContact CE1-CD1 3.78Å; F173-W213 HydrophobicContact CE1-CD2 4.2Å; F173-W213 AromaticContact CE1-CE2 3.92Å; F173-W213 HydrophobicContact CE1-CG 4.1Å; F173-W213 AromaticContact CE1-NE1 3.61Å; F173-L397 HydrophobicContact CE1-CD1 4.08Å; F173-L397 HydrophobicContact CZ-CD1 3.81Å; F173-L397 HydrophobicContact CZ-CD2 4.1Å
174	G	89.4	Confident	91.2	Very high	9 Å²	9	54.9 Å²	54.9	9%	0.093	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.7	-175.5	0	0	0	0	0	111.4	F184 F207 D208 D209	G174-F184 WeakPolarHBondContact O-CD2 3.36Å; G174-F207 PolarHBondContact N-O 2.85Å; G174-D208 WeakPolarHBondContact O-CA 3.36Å; G174-D209 PolarHBondContact O-N 2.81Å
175	R	86.7	Confident	91	Very high	122 Å²	122	51.8 Å²	51.8	46%	0.46	29%	0.292	S	S	.	.			trans	-115.7	143.7	178.6	-58.1	177.8	-174.4	-137.3	1.3	109.3	E177 D209 D210	R175-E177 CarbonylContact O-C 3.6Å; R175-E177 PolarHBondContact O-N 2.72Å; R175-D209 HydrophobicContact CG-CB 3.7Å; R175-D209 IonicContact CZ-OD2 3.58Å; R175-D209 VanDerWaalsContact CZ-OD2 3.26Å; R175-D209 IonicContact NE-OD2 3.35Å; R175-D209 PolarHBondContact NE-OD2 2.83Å; R175-D209 IonicContact NH2-OD2 3.89Å; R175-D209 PolarHBondContact NH2-OD2 2.84Å; R175-D210 VanDerWaalsContact CD-OD1 3.31Å; R175-D210 WeakPolarHBondContact CD-OD1 3.23Å; R175-D210 IonicContact CZ-OD1 2.83Å; R175-D210 IonicContact NE-OD1 2.61Å; R175-D210 IonicContact NH1-OD1 3.51Å; R175-D210 PolarHBondContact NH1-OD1 3.4Å
176	N	86.7	Confident	90.7	Very high	83 Å²	83	50.6 Å²	50.6	44%	0.444	28%	0.279	S	S	.	.	S	Bend	trans	45.1	-124	174.5	-64.9	-76.9	0	0	0	111.2	H178 P183 F184 D210	N176-H178 PolarHBondContact O-N 2.89Å; N176-H178 PolarHBondContact O-ND1 3.01Å; N176-P183 CarbonylContact O-C 3.57Å; N176-P183 WeakPolarHBondContact O-CA 3.47Å; N176-F184 PolarHBondContact O-N 2.96Å; N176-D210 PolarHBondContact ND2-OD2 2.76Å
177	E	89.2	Confident	90.2	Very high	106 Å²	106	45.3 Å²	45.3	50%	0.495	25%	0.254	S	S	.	.	S	Bend	trans	-75.5	113	171.1	-178.4	59.1	-124.8	0	0	111	R175 G179 G181 P183	R175-E177 CarbonylContact O-C 3.6Å; R175-E177 PolarHBondContact O-N 2.72Å; E177-G179 PolarHBondContact OE1-N 3.36Å; E177-G181 WeakPolarHBondContact OE1-CA 2.99Å; E177-G181 PolarHBondContact OE1-N 2.89Å; E177-P183 HydrophobicContact CB-CB 4.37Å
178	H	89.6	Confident	89.8	Confident	38 Å²	38	46.2 Å²	46.2	18%	0.176	26%	0.258	C	S	.	.			trans	-120.2	19.2	-173.3	53.2	-85.5	0	0	0	113.4	N176 D180 Y182 F184 H193 H206	N176-H178 PolarHBondContact O-N 2.89Å; N176-H178 PolarHBondContact O-ND1 3.01Å; H178-D180 IonicContact CD2-OD1 3.47Å; H178-D180 IonicContact CD2-OD2 2.87Å; H178-D180 IonicContact CE1-OD1 3.89Å; H178-D180 IonicContact NE2-OD1 3.16Å; H178-D180 IonicContact NE2-OD2 3.41Å; H178-D180 PolarHBondContact NE2-OD2 3.26Å; H178-Y182 PolarHBondContact CE1-O 3.01Å; H178-F184 AromaticContact CE1-CD2 3.32Å; H178-F184 WeakPolarHBondContact CE1-CD2 3.46Å; H178-F184 AromaticContact CE1-CE2 3.19Å; H178-F184 WeakPolarHBondContact CE1-CE2 3.04Å; H178-F184 AromaticContact CE1-CG 3.97Å; H178-F184 AromaticContact CE1-CZ 3.73Å; H178-F184 AromaticContact ND1-CD2 3.38Å; H178-F184 WeakPolarHBondContact ND1-CD2 3.43Å; H178-F184 AromaticContact ND1-CE2 3.56Å; H178-F184 AromaticContact NE2-CE2 3.64Å; H178-H193 AromaticContact CE1-CE1 3.57Å; H178-H193 AromaticContact CE1-NE2 3.99Å; H178-H193 AromaticContact NE2-CE1 3.32Å; H178-H193 PolarHBondContact NE2-CE1 3.49Å; H178-H193 VanDerWaalsContact NE2-CE1 3.32Å; H178-H193 AromaticContact NE2-NE2 3.28Å; H178-H193 PolarHBondContact NE2-NE2 2.79Å; H178-H206 AromaticContact CD2-CG 3.9Å; H178-H206 AromaticContact CD2-ND1 3.44Å; H178-H206 PolarHBondContact CD2-ND1 3.34Å; H178-H206 AromaticContact NE2-CG 3.84Å; H178-H206 AromaticContact NE2-ND1 3.34Å; H178-H206 PolarHBondContact NE2-ND1 2.76Å
179	G	86.9	Confident	89.5	Confident	74 Å²	74	46 Å²	46	76%	0.763	26%	0.262	S	S	*	.	S	Bend	trans	104.7	5	163.1	0	0	0	0	0	116	E177	E177-G179 PolarHBondContact OE1-N 3.36Å
180	D	87.2	Confident	89.3	Confident	30 Å²	30	46.4 Å²	46.4	16%	0.16	26%	0.263	C	S	.	.	S	Bend	trans	-114.5	-2.5	177.5	66.2	7.7	0	0	0	113.8	H178 Y182 H193 F195 H206	H178-D180 IonicContact CD2-OD1 3.47Å; H178-D180 IonicContact CD2-OD2 2.87Å; H178-D180 IonicContact CE1-OD1 3.89Å; H178-D180 IonicContact NE2-OD1 3.16Å; H178-D180 IonicContact NE2-OD2 3.41Å; H178-D180 PolarHBondContact NE2-OD2 3.26Å; D180-Y182 VanDerWaalsContact C-N 3.33Å; D180-Y182 WeakPolarHBondContact O-CD2 3.31Å; D180-Y182 PolarHBondContact OD1-N 2.74Å; D180-H193 IonicContact OD2-CD2 3.99Å; D180-H193 IonicContact OD2-CE1 3.26Å; D180-H193 PolarHBondContact OD2-CE1 2.94Å; D180-H193 IonicContact OD2-NE2 3.01Å; D180-H193 PolarHBondContact OD2-NE2 2.84Å; D180-F195 HydrophobicContact CB-CE2 4.24Å; D180-F195 HydrophobicContact CB-CZ 4.02Å; D180-F195 WeakPolarHBondContact OD2-CE2 3.39Å; D180-F195 WeakPolarHBondContact OD2-CZ 3.46Å; D180-H206 IonicContact OD2-CE1 2.76Å; D180-H206 PolarHBondContact OD2-CE1 3Å; D180-H206 IonicContact OD2-ND1 3.36Å; D180-H206 PolarHBondContact OD2-ND1 3.31Å
181	G	87.4	Confident	89.3	Confident	51 Å²	51	45.4 Å²	45.4	53%	0.526	26%	0.259	S	S	.	.	S	Bend	trans	79.8	8.3	-178.9	0	0	0	0	0	115	E177 P183	E177-G181 WeakPolarHBondContact OE1-CA 2.99Å; E177-G181 PolarHBondContact OE1-N 2.89Å; G181-P183 WeakPolarHBondContact O-CD 3.42Å
182	Y	87.4	Confident	89.3	Confident	139 Å²	139	45.4 Å²	45.4	55%	0.545	26%	0.259	S	S	.	.			trans	-115.7	81.6	175.1	-65.7	-82.2	0	0	0	110.2	H178 D180 H193 F195	H178-Y182 PolarHBondContact CE1-O 3.01Å; D180-Y182 VanDerWaalsContact C-N 3.33Å; D180-Y182 WeakPolarHBondContact O-CD2 3.31Å; D180-Y182 PolarHBondContact OD1-N 2.74Å; Y182-H193 PolarHBondContact O-CE1 3.48Å; Y182-H193 VanDerWaalsContact O-CE1 3.29Å; Y182-F195 AromaticContact CD2-CE1 3.99Å; Y182-F195 HydrophobicContact CD2-CE1 3.99Å; Y182-F195 AromaticContact CD2-CZ 3.86Å; Y182-F195 HydrophobicContact CD2-CZ 3.86Å; Y182-F195 AromaticContact CE2-CE1 3.83Å; Y182-F195 HydrophobicContact CE2-CE1 3.83Å; Y182-F195 HydrophobicContact CE2-CZ 4.14Å
183	P	90.2	Very high	89.3	Confident	57 Å²	57	43.8 Å²	43.8	37%	0.37	25%	0.249	S	C	.	.			trans	-68.8	144.3	-173.8	27.2	-35.3	0	0	0	112.7	K56 N176 E177 G181	K56-P183 PolarHBondContact NZ-O 2.7Å; N176-P183 CarbonylContact O-C 3.57Å; N176-P183 WeakPolarHBondContact O-CA 3.47Å; E177-P183 HydrophobicContact CB-CB 4.37Å; G181-P183 WeakPolarHBondContact O-CD 3.42Å
184	F	91.3	Very high	89.3	Confident	9 Å²	9	43.1 Å²	43.1	4%	0.039	25%	0.248	C	C	.	.			trans	-72.8	173.7	163.6	-67.5	-56.1	0	0	0	111.9	G174 N176 H178 L190 H206 D208	G174-F184 WeakPolarHBondContact O-CD2 3.36Å; N176-F184 PolarHBondContact O-N 2.96Å; H178-F184 AromaticContact CE1-CD2 3.32Å; H178-F184 WeakPolarHBondContact CE1-CD2 3.46Å; H178-F184 AromaticContact CE1-CE2 3.19Å; H178-F184 WeakPolarHBondContact CE1-CE2 3.04Å; H178-F184 AromaticContact CE1-CG 3.97Å; H178-F184 AromaticContact CE1-CZ 3.73Å; H178-F184 AromaticContact ND1-CD2 3.38Å; H178-F184 WeakPolarHBondContact ND1-CD2 3.43Å; H178-F184 AromaticContact ND1-CE2 3.56Å; H178-F184 AromaticContact NE2-CE2 3.64Å; F184-L190 HydrophobicContact CD1-CB 4.2Å; F184-H206 HydrophobicContact CE2-CB 4.31Å; F184-H206 HydrophobicContact CZ-CB 4.03Å; F184-D208 HydrophobicContact CB-CB 4.28Å; F184-D208 VanDerWaalsContact CB-OD2 3.24Å; F184-D208 WeakPolarHBondContact CB-OD2 3.32Å; F184-D208 HydrophobicContact CD1-CB 3.91Å; F184-D208 HydrophobicContact CD2-CB 3.86Å; F184-D208 HydrophobicContact CE1-CB 4.21Å; F184-D208 HydrophobicContact CE2-CB 4.14Å; F184-D208 HydrophobicContact CG-CB 3.77Å; F184-D208 HydrophobicContact CZ-CB 4.33Å
185	D	85.6	Confident	89.5	Confident	57 Å²	57	44.2 Å²	44.2	31%	0.305	25%	0.25	S	C	.	.			trans	-120.8	8.4	-174.5	60.8	-23.4	0	0	0	115.1	L190	D185-L190 HydrophobicContact CB-CD1 4.39Å; D185-L190 WeakPolarHBondContact OD1-CB 3.15Å; D185-L190 WeakPolarHBondContact OD1-CG 3.49Å; D185-L190 PolarHBondContact OD1-N 2.95Å
186	G	83.6	Confident	89.7	Confident	11 Å²	11	39.5 Å²	39.5	11%	0.113	24%	0.237	C	C	.	.	S	Bend	trans	94.3	-155.2	177.7	0	0	0	0	0	111.4	D188 D208	G186-D188 PolarHBondContact O-N 2.95Å; G186-D208 VanDerWaalsContact O-OD2 3.05Å
187	K	82.9	Confident	90.1	Very high	39 Å²	39	36.5 Å²	36.5	17%	0.17	22%	0.222	C	C	.	.	S	Bend	trans	-65.9	134.9	-178.2	-177.7	178.8	165.8	91.5	0	112.4	V340 D392	K187-V340 HydrophobicContact CD-CG1 4.03Å; K187-D392 WeakPolarHBondContact CE-OD2 3.35Å; K187-D392 IonicContact NZ-OD1 3.54Å; K187-D392 IonicContact NZ-OD2 2.74Å; K187-D392 PolarHBondContact NZ-OD2 3.49Å
188	D	86.2	Confident	90.1	Very high	30 Å²	30	32.6 Å²	32.6	16%	0.16	21%	0.211	C	C	.	.	S	Bend	trans	61.7	-177.3	-170.1	-49.3	-53.8	0	0	0	113.2	G186 L190 E211 K372 Y395	G186-D188 PolarHBondContact O-N 2.95Å; D188-L190 PolarHBondContact O-N 3.43Å; D188-L190 VanDerWaalsContact O-N 3.15Å; D188-E211 WeakPolarHBondContact CA-OE1 3.41Å; D188-E211 PolarHBondContact N-OE1 3.28Å; D188-E211 PolarHBondContact N-OE2 2.91Å; D188-K372 VanDerWaalsContact OD2-CE 3.26Å; D188-K372 WeakPolarHBondContact OD2-CE 3.29Å; D188-K372 IonicContact OD2-NZ 3.26Å; D188-K372 PolarHBondContact OD2-NZ 3.42Å; D188-Y395 PolarHBondContact OD1-OH 3.37Å
189	G	89.2	Confident	89.9	Confident	21 Å²	21	37 Å²	37	22%	0.216	24%	0.242	C	C	.	.	S	Bend	trans	81.3	-96.6	179.9	0	0	0	0	0	110.9	P100 R101	P100-G189 CarbonylContact C-O 3.58Å; P100-G189 WeakPolarHBondContact CA-O 3.5Å; R101-G189 PolarHBondContact N-O 3.37Å
190	L	92.5	Very high	90	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-100	108.8	-174.8	-51.4	176.5	0	0	0	111.7	K56 F57 R101 F184 D185 D188	K56-L190 HydrophobicContact CD-CD1 3.95Å; K56-L190 VanDerWaalsContact CE-CD1 3.42Å; F57-L190 HydrophobicContact CE1-CD2 4.15Å; F57-L190 HydrophobicContact CE2-CD2 4.37Å; F57-L190 HydrophobicContact CZ-CD2 3.42Å; F57-L190 VanDerWaalsContact CZ-CD2 3.42Å; R101-L190 HydrophobicContact CG-CD2 4.41Å; F184-L190 HydrophobicContact CD1-CB 4.2Å; D185-L190 HydrophobicContact CB-CD1 4.39Å; D185-L190 WeakPolarHBondContact OD1-CB 3.15Å; D185-L190 WeakPolarHBondContact OD1-CG 3.49Å; D185-L190 PolarHBondContact OD1-N 2.95Å; D188-L190 PolarHBondContact O-N 3.43Å; D188-L190 VanDerWaalsContact O-N 3.15Å
191	L	96.3	Very high	90.1	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	24%	0.243	C	C	.	.			trans	-79	-40.8	-173.7	-55.4	-174.8	0	0	0	113.2	P100 R101 D208 E211 W213 Y395 V400 Y425	P100-L191 HydrophobicContact CB-CD1 4.24Å; P100-L191 HydrophobicContact CB-CD2 4Å; P100-L191 HydrophobicContact CB-CG 4.24Å; R101-L191 PolarHBondContact O-N 2.85Å; L191-D208 PolarHBondContact O-N 3.37Å; L191-E211 HydrophobicContact CD2-CG 4.17Å; L191-E211 VanDerWaalsContact CD2-OE1 3.23Å; L191-E211 WeakPolarHBondContact CD2-OE1 3.35Å; L191-W213 HydrophobicContact CB-CH2 4.3Å; L191-W213 WeakPolarHBondContact O-CH2 3.33Å; L191-W213 WeakPolarHBondContact O-CZ2 3.3Å; L191-Y395 HydrophobicContact CD1-CD1 3.54Å; L191-Y395 HydrophobicContact CD1-CE1 3.99Å; L191-Y395 HydrophobicContact CD1-CG 3.92Å; L191-Y395 HydrophobicContact CD2-CD1 3.73Å; L191-Y395 HydrophobicContact CD2-CD2 3.57Å; L191-Y395 HydrophobicContact CD2-CE1 3.72Å; L191-Y395 HydrophobicContact CD2-CE2 3.55Å; L191-Y395 HydrophobicContact CD2-CG 3.66Å; L191-Y395 HydrophobicContact CG-CD1 4.31Å; L191-Y395 HydrophobicContact CG-CE1 4.5Å; L191-Y395 HydrophobicContact CG-CG 4.43Å; L191-V400 HydrophobicContact CB-CG1 4.2Å; L191-V400 HydrophobicContact CB-CG2 4.48Å; L191-V400 HydrophobicContact CD1-CG2 3.9Å; L191-Y425 HydrophobicContact CD1-CD2 3.9Å; L191-Y425 HydrophobicContact CD1-CG 3.74Å
192	A	97.1	Very high	90.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	168.2	-172.7	0	0	0	0	0	110.3	G103 H206 F207 V400 E404	G103-A192 WeakPolarHBondContact CA-O 3.49Å; G103-A192 PolarHBondContact N-O 3.4Å; A192-H206 CarbonylContact C-O 3.56Å; A192-H206 WeakPolarHBondContact CA-O 3.32Å; A192-H206 WeakPolarHBondContact CB-O 3.48Å; A192-F207 HydrophobicContact CB-CD1 3.82Å; A192-F207 HydrophobicContact CB-CE1 4.23Å; A192-F207 HydrophobicContact CB-CG 4.3Å; A192-V400 HydrophobicContact CB-CG1 3.55Å; A192-E404 HydrophobicContact CB-CG 3.55Å
193	H	95.8	Very high	90.5	Very high	14 Å²	14	30 Å²	30	7%	0.065	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	160.5	162	61.5	-138.5	0	0	0	111.1	V104 H178 D180 Y182 H206 E404	V104-H193 HydrophobicContact CG2-CB 4.09Å; H178-H193 AromaticContact CE1-CE1 3.57Å; H178-H193 AromaticContact CE1-NE2 3.99Å; H178-H193 AromaticContact NE2-CE1 3.32Å; H178-H193 PolarHBondContact NE2-CE1 3.49Å; H178-H193 VanDerWaalsContact NE2-CE1 3.32Å; H178-H193 AromaticContact NE2-NE2 3.28Å; H178-H193 PolarHBondContact NE2-NE2 2.79Å; D180-H193 IonicContact OD2-CD2 3.99Å; D180-H193 IonicContact OD2-CE1 3.26Å; D180-H193 PolarHBondContact OD2-CE1 2.94Å; D180-H193 IonicContact OD2-NE2 3.01Å; D180-H193 PolarHBondContact OD2-NE2 2.84Å; Y182-H193 PolarHBondContact O-CE1 3.48Å; Y182-H193 VanDerWaalsContact O-CE1 3.29Å; H193-H206 AromaticContact CD2-ND1 3.85Å; H193-H206 PolarHBondContact N-O 2.84Å; H193-H206 AromaticContact NE2-CG 3.87Å; H193-H206 AromaticContact NE2-ND1 3.28Å; H193-H206 PolarHBondContact NE2-ND1 3.02Å; H193-H206 PolarHBondContact O-N 3.35Å; H193-E404 WeakPolarHBondContact CA-OE2 3.42Å
194	A	95	Very high	90.7	Very high	5 Å²	5	28 Å²	28	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.7	170.6	0	0	0	0	0	112.1	D204 E404 H407	A194-D204 CarbonylContact C-O 3.57Å; A194-D204 WeakPolarHBondContact CA-O 3.46Å; A194-D204 WeakPolarHBondContact CB-O 3.33Å; A194-E404 HydrophobicContact CB-CB 3.94Å; A194-E404 VanDerWaalsContact CB-O 3.31Å; A194-E404 WeakPolarHBondContact CB-O 3.25Å; A194-E404 PolarHBondContact N-OE2 3.05Å; A194-H407 HydrophobicContact CB-CB 3.96Å
195	F	93.2	Very high	91	Very high	31 Å²	31	27.6 Å²	27.6	14%	0.136	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-88.8	144.1	175.7	-64.5	-78.1	0	0	0	111	D180 Y182 I201 G203 D204 H206 A408	D180-F195 HydrophobicContact CB-CE2 4.24Å; D180-F195 HydrophobicContact CB-CZ 4.02Å; D180-F195 WeakPolarHBondContact OD2-CE2 3.39Å; D180-F195 WeakPolarHBondContact OD2-CZ 3.46Å; Y182-F195 AromaticContact CD2-CE1 3.99Å; Y182-F195 HydrophobicContact CD2-CE1 3.99Å; Y182-F195 AromaticContact CD2-CZ 3.86Å; Y182-F195 HydrophobicContact CD2-CZ 3.86Å; Y182-F195 AromaticContact CE2-CE1 3.83Å; Y182-F195 HydrophobicContact CE2-CE1 3.83Å; Y182-F195 HydrophobicContact CE2-CZ 4.14Å; F195-I201 VanDerWaalsContact CB-O 3.24Å; F195-I201 WeakPolarHBondContact CB-O 3.48Å; F195-I201 HydrophobicContact CD1-CD1 4.28Å; F195-I201 HydrophobicContact CD2-CB 4.37Å; F195-I201 HydrophobicContact CD2-CD1 4.44Å; F195-I201 WeakPolarHBondContact CD2-O 3.38Å; F195-I201 HydrophobicContact CE1-CD1 4.1Å; F195-I201 HydrophobicContact CE2-CD1 4.26Å; F195-I201 HydrophobicContact CG-CD1 4.46Å; F195-I201 HydrophobicContact CZ-CD1 4.09Å; F195-G203 VanDerWaalsContact O-CA 3.24Å; F195-G203 WeakPolarHBondContact O-CA 3.06Å; F195-G203 PolarHBondContact O-N 2.97Å; F195-D204 HydrophobicContact CD2-CB 4.31Å; F195-D204 PolarHBondContact N-O 3.24Å; F195-H206 AromaticContact CE2-CE1 3.99Å; F195-A408 WeakPolarHBondContact O-CA 3.2Å
196	A	91.4	Very high	91.5	Very high	23 Å²	23	25.9 Å²	25.9	19%	0.19	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-62	158.2	173.4	0	0	0	0	0	112.2	P117 G198 G202 G203	P117-A196 HydrophobicContact CB-CB 3.77Å; P117-A196 HydrophobicContact CG-CB 3.93Å; A196-G198 PolarHBondContact O-N 3.26Å; A196-G202 CarbonylContact O-C 3.58Å; A196-G202 VanDerWaalsContact O-CA 3.28Å; A196-G202 WeakPolarHBondContact O-CA 3.36Å; A196-G203 PolarHBondContact O-N 3.39Å
197	P	93.3	Very high	92.2	Very high	20 Å²	20	25.3 Å²	25.3	13%	0.13	17%	0.166	C	C	.	.	S	Bend	trans	-48.5	126.1	179.5	-27.3	27.3	0	0	0	114	P117 W119 A408 L409 G410	P117-P197 HydrophobicContact CB-CB 4.48Å; P117-P197 HydrophobicContact CB-CG 4.28Å; W119-P197 HydrophobicContact CD2-CB 3.83Å; W119-P197 HydrophobicContact CD2-CG 4.5Å; W119-P197 HydrophobicContact CE3-CB 4.38Å; W119-P197 HydrophobicContact CG-CB 4.09Å; W119-P197 HydrophobicContact CG-CG 4.37Å; W119-P197 HydrophobicContact CZ2-CB 4.06Å; P197-A408 WeakPolarHBondContact CD-O 3.31Å; P197-A408 VanDerWaalsContact CG-O 3.28Å; P197-A408 WeakPolarHBondContact CG-O 3.37Å; P197-L409 VanDerWaalsContact CG-C 3.46Å; P197-G410 VanDerWaalsContact CD-CA 3.46Å; P197-G410 VanDerWaalsContact CD-N 3.35Å
198	G	89.4	Confident	92.8	Very high	25 Å²	25	23.5 Å²	23.5	26%	0.258	16%	0.158	S	C	.	.			trans	-175.6	176.9	-179.7	0	0	0	0	0	113.6	W119 A196 G202	W119-G198 WeakPolarHBondContact CH2-O 3.23Å; A196-G198 PolarHBondContact O-N 3.26Å; G198-G202 PolarHBondContact N-O 3.42Å
199	P	86.9	Confident	93	Very high	130 Å²	130	23.4 Å²	23.4	84%	0.844	16%	0.157	S	C	*	.	S	Bend	trans	-77.2	153.3	172.1	32.4	-33.8	0	0	0	111.7	I201	P199-I201 PolarHBondContact O-N 2.94Å
200	G	88.3	Confident	92.9	Very high	46 Å²	46	24.3 Å²	24.3	47%	0.474	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	-123.5	-178.6	0	0	0	0	0	110.4	G202	G200-G202 PolarHBondContact O-N 2.83Å
201	I	88.6	Confident	92.9	Very high	92 Å²	92	24.1 Å²	24.1	47%	0.472	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-3.5	-179.6	66.2	172.1	0	0	0	114.8	F195 P199 G203 D204	F195-I201 VanDerWaalsContact CB-O 3.24Å; F195-I201 WeakPolarHBondContact CB-O 3.48Å; F195-I201 HydrophobicContact CD1-CD1 4.28Å; F195-I201 HydrophobicContact CD2-CB 4.37Å; F195-I201 HydrophobicContact CD2-CD1 4.44Å; F195-I201 WeakPolarHBondContact CD2-O 3.38Å; F195-I201 HydrophobicContact CE1-CD1 4.1Å; F195-I201 HydrophobicContact CE2-CD1 4.26Å; F195-I201 HydrophobicContact CG-CD1 4.46Å; F195-I201 HydrophobicContact CZ-CD1 4.09Å; P199-I201 PolarHBondContact O-N 2.94Å; I201-G203 PolarHBondContact O-N 3.49Å; I201-D204 WeakPolarHBondContact CA-OD2 3.41Å; I201-D204 WeakPolarHBondContact O-CB 3.14Å; I201-D204 PolarHBondContact O-N 3.49Å; I201-D204 VanDerWaalsContact O-N 3.16Å
202	G	91	Very high	92.6	Very high	8 Å²	8	24 Å²	24	8%	0.082	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	111.3	-175.2	0	0	0	0	0	111.7	W119 A196 G198 G200	W119-G202 VanDerWaalsContact CH2-O 3.25Å; W119-G202 WeakPolarHBondContact CH2-O 3.28Å; W119-G202 WeakPolarHBondContact CZ2-O 3.02Å; A196-G202 CarbonylContact O-C 3.58Å; A196-G202 VanDerWaalsContact O-CA 3.28Å; A196-G202 WeakPolarHBondContact O-CA 3.36Å; G198-G202 PolarHBondContact N-O 3.42Å; G200-G202 PolarHBondContact O-N 2.83Å
203	G	92	Very high	92.5	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	110	-19.5	-172.6	0	0	0	0	0	112.9	I169 F195 A196 I201 S205 A408	I169-G203 WeakPolarHBondContact CG2-O 3.05Å; F195-G203 VanDerWaalsContact O-CA 3.24Å; F195-G203 WeakPolarHBondContact O-CA 3.06Å; F195-G203 PolarHBondContact O-N 2.97Å; A196-G203 PolarHBondContact O-N 3.39Å; I201-G203 PolarHBondContact O-N 3.49Å; G203-S205 PolarHBondContact O-OG 3.37Å; G203-A408 VanDerWaalsContact O-CB 3.25Å; G203-A408 WeakPolarHBondContact O-CB 3.34Å
204	D	95.9	Very high	92.4	Very high	17 Å²	17	23.4 Å²	23.4	9%	0.091	15%	0.152	C	C	.	.			trans	-61.9	141.1	-178.6	-69.2	-5.6	0	0	0	111.1	M170 A194 F195 I201	M170-D204 HydrophobicContact CB-CB 4.48Å; M170-D204 WeakPolarHBondContact CB-OD1 2.97Å; M170-D204 VanDerWaalsContact CG-OD1 3.29Å; M170-D204 WeakPolarHBondContact CG-OD1 3.48Å; M170-D204 PolarHBondContact N-OD1 3.21Å; M170-D204 WeakPolarHBondContact O-CA 2.96Å; A194-D204 CarbonylContact C-O 3.57Å; A194-D204 WeakPolarHBondContact CA-O 3.46Å; A194-D204 WeakPolarHBondContact CB-O 3.33Å; F195-D204 HydrophobicContact CD2-CB 4.31Å; F195-D204 PolarHBondContact N-O 3.24Å; I201-D204 WeakPolarHBondContact CA-OD2 3.41Å; I201-D204 WeakPolarHBondContact O-CB 3.14Å; I201-D204 PolarHBondContact O-N 3.49Å; I201-D204 VanDerWaalsContact O-N 3.16Å
205	S	96.9	Very high	92.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.3	-176.2	-54.4	0	0	0	0	109.3	M170 V171 N172 G203	M170-S205 PolarHBondContact O-N 2.89Å; V171-S205 WeakPolarHBondContact CA-O 3.22Å; N172-S205 PolarHBondContact N-O 2.83Å; G203-S205 PolarHBondContact O-OG 3.37Å
206	H	96.9	Very high	92.2	Very high	20 Å²	20	24.4 Å²	24.4	9%	0.093	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135	-177.4	-57.7	157.3	0	0	0	110.1	N172 H178 D180 F184 A192 H193 F195	N172-H206 WeakPolarHBondContact O-CA 3.48Å; H178-H206 AromaticContact CD2-CG 3.9Å; H178-H206 AromaticContact CD2-ND1 3.44Å; H178-H206 PolarHBondContact CD2-ND1 3.34Å; H178-H206 AromaticContact NE2-CG 3.84Å; H178-H206 AromaticContact NE2-ND1 3.34Å; H178-H206 PolarHBondContact NE2-ND1 2.76Å; D180-H206 IonicContact OD2-CE1 2.76Å; D180-H206 PolarHBondContact OD2-CE1 3Å; D180-H206 IonicContact OD2-ND1 3.36Å; D180-H206 PolarHBondContact OD2-ND1 3.31Å; F184-H206 HydrophobicContact CE2-CB 4.31Å; F184-H206 HydrophobicContact CZ-CB 4.03Å; A192-H206 CarbonylContact C-O 3.56Å; A192-H206 WeakPolarHBondContact CA-O 3.32Å; A192-H206 WeakPolarHBondContact CB-O 3.48Å; H193-H206 AromaticContact CD2-ND1 3.85Å; H193-H206 PolarHBondContact N-O 2.84Å; H193-H206 AromaticContact NE2-CG 3.87Å; H193-H206 AromaticContact NE2-ND1 3.28Å; H193-H206 PolarHBondContact NE2-ND1 3.02Å; H193-H206 PolarHBondContact O-N 3.35Å; F195-H206 AromaticContact CE2-CE1 3.99Å
207	F	97.5	Very high	92.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.4	-179.2	-62.9	-96.2	0	0	0	108.8	F144 V171 N172 F173 G174 A192 D209 W213 L397 V400 A401 E404	F144-F207 HydrophobicContact CE1-CE1 4.29Å; F144-F207 AromaticContact CE1-CE2 3.91Å; F144-F207 HydrophobicContact CE1-CE2 3.91Å; F144-F207 AromaticContact CE1-CZ 3.75Å; F144-F207 HydrophobicContact CE1-CZ 3.75Å; F144-F207 HydrophobicContact CZ-CD2 4.48Å; F144-F207 HydrophobicContact CZ-CE2 4.18Å; F144-F207 HydrophobicContact CZ-CZ 4.44Å; V171-F207 HydrophobicContact CG1-CD2 4.11Å; V171-F207 HydrophobicContact CG1-CE2 3.72Å; N172-F207 PolarHBondContact O-N 2.99Å; F173-F207 CarbonylContact C-O 3.51Å; F173-F207 VanDerWaalsContact CA-O 3.32Å; F173-F207 WeakPolarHBondContact CA-O 3.49Å; F173-F207 HydrophobicContact CD1-CB 3.57Å; F173-F207 HydrophobicContact CE1-CB 3.64Å; F173-F207 HydrophobicContact CE1-CG 4.19Å; F173-F207 HydrophobicContact CG-CB 4.22Å; F173-F207 HydrophobicContact CZ-CB 4.33Å; F173-F207 HydrophobicContact CZ-CG 4.47Å; G174-F207 PolarHBondContact N-O 2.85Å; A192-F207 HydrophobicContact CB-CD1 3.82Å; A192-F207 HydrophobicContact CB-CE1 4.23Å; A192-F207 HydrophobicContact CB-CG 4.3Å; F207-D209 PolarHBondContact O-N 3.35Å; F207-W213 HydrophobicContact CB-CH2 4.31Å; F207-W213 HydrophobicContact CB-CZ2 3.72Å; F207-W213 AromaticContact CD1-CH2 3.78Å; F207-W213 HydrophobicContact CD1-CH2 3.78Å; F207-W213 HydrophobicContact CD1-CZ2 4.06Å; F207-W213 HydrophobicContact CD1-CZ3 4.29Å; F207-W213 HydrophobicContact CG-CZ2 4.4Å; F207-L397 HydrophobicContact CD1-CD1 3.85Å; F207-L397 HydrophobicContact CE1-CD1 3.99Å; F207-L397 HydrophobicContact CG-CD1 4.45Å; F207-V400 HydrophobicContact CD1-CG1 4.18Å; F207-V400 HydrophobicContact CE1-CB 4.5Å; F207-V400 HydrophobicContact CE1-CG1 4.04Å; F207-A401 HydrophobicContact CE1-CB 3.83Å; F207-A401 HydrophobicContact CZ-CB 3.69Å; F207-E404 HydrophobicContact CE1-CG 4.26Å; F207-E404 HydrophobicContact CZ-CB 4.36Å; F207-E404 HydrophobicContact CZ-CG 4.33Å
208	D	95.1	Very high	91.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	119.5	179.6	-168.3	-8.9	0	0	0	110.7	G174 F184 G186 L191 D210 E211 W213	G174-D208 WeakPolarHBondContact O-CA 3.36Å; F184-D208 HydrophobicContact CB-CB 4.28Å; F184-D208 VanDerWaalsContact CB-OD2 3.24Å; F184-D208 WeakPolarHBondContact CB-OD2 3.32Å; F184-D208 HydrophobicContact CD1-CB 3.91Å; F184-D208 HydrophobicContact CD2-CB 3.86Å; F184-D208 HydrophobicContact CE1-CB 4.21Å; F184-D208 HydrophobicContact CE2-CB 4.14Å; F184-D208 HydrophobicContact CG-CB 3.77Å; F184-D208 HydrophobicContact CZ-CB 4.33Å; G186-D208 VanDerWaalsContact O-OD2 3.05Å; L191-D208 PolarHBondContact O-N 3.37Å; D208-D210 VanDerWaalsContact C-N 3.3Å; D208-D210 PolarHBondContact OD1-N 2.84Å; D208-E211 HydrophobicContact CB-CG 3.86Å; D208-E211 WeakPolarHBondContact O-CB 3.32Å; D208-E211 PolarHBondContact O-N 3.34Å; D208-W213 WeakPolarHBondContact O-CZ2 3.43Å; D208-W213 PolarHBondContact O-NE1 3.05Å
209	D	91.1	Very high	91.8	Very high	29 Å²	29	28.2 Å²	28.2	16%	0.155	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.1	-178.6	-167.6	63.2	0	0	0	113.3	F173 G174 R175 F207 E211	F173-D209 HydrophobicContact CB-CB 4.07Å; G174-D209 PolarHBondContact O-N 2.81Å; R175-D209 HydrophobicContact CG-CB 3.7Å; R175-D209 IonicContact CZ-OD2 3.58Å; R175-D209 VanDerWaalsContact CZ-OD2 3.26Å; R175-D209 IonicContact NE-OD2 3.35Å; R175-D209 PolarHBondContact NE-OD2 2.83Å; R175-D209 IonicContact NH2-OD2 3.89Å; R175-D209 PolarHBondContact NH2-OD2 2.84Å; F207-D209 PolarHBondContact O-N 3.35Å; D209-E211 VanDerWaalsContact C-N 3.31Å
210	D	87.6	Confident	92.1	Very high	39 Å²	39	22.8 Å²	22.8	21%	0.209	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.1	167.7	-72.1	-37.8	0	0	0	112.3	R175 N176 D208	R175-D210 VanDerWaalsContact CD-OD1 3.31Å; R175-D210 WeakPolarHBondContact CD-OD1 3.23Å; R175-D210 IonicContact CZ-OD1 2.83Å; R175-D210 IonicContact NE-OD1 2.61Å; R175-D210 IonicContact NH1-OD1 3.51Å; R175-D210 PolarHBondContact NH1-OD1 3.4Å; N176-D210 PolarHBondContact ND2-OD2 2.76Å; D208-D210 VanDerWaalsContact C-N 3.3Å; D208-D210 PolarHBondContact OD1-N 2.84Å
211	E	91.2	Very high	92.3	Very high	3 Å²	3	20.7 Å²	20.7	1%	0.014	11%	0.11	C	C	.	.	S	Bend	trans	-81.9	152.4	173.8	-62.5	-68	-163.3	0	0	113.1	D134 D188 L191 D208 D209 W213 Y395	D134-E211 VanDerWaalsContact OD2-O 3.04Å; D188-E211 WeakPolarHBondContact CA-OE1 3.41Å; D188-E211 PolarHBondContact N-OE1 3.28Å; D188-E211 PolarHBondContact N-OE2 2.91Å; L191-E211 HydrophobicContact CD2-CG 4.17Å; L191-E211 VanDerWaalsContact CD2-OE1 3.23Å; L191-E211 WeakPolarHBondContact CD2-OE1 3.35Å; D208-E211 HydrophobicContact CB-CG 3.86Å; D208-E211 WeakPolarHBondContact O-CB 3.32Å; D208-E211 PolarHBondContact O-N 3.34Å; D209-E211 VanDerWaalsContact C-N 3.31Å; E211-W213 HydrophobicContact CB-CZ2 4.19Å; E211-W213 PolarHBondContact O-N 3.38Å; E211-Y395 HydrophobicContact CB-CD2 4.22Å; E211-Y395 HydrophobicContact CG-CD2 4.42Å; E211-Y395 VanDerWaalsContact OE2-CE2 3.22Å; E211-Y395 WeakPolarHBondContact OE2-CE2 3.29Å
212	Q	91	Very high	92.5	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	9%	0.092	C	C	.	.			trans	-86.8	99.5	171.9	-171.2	-171.9	-25.8	0	0	109.6	D134 T214 V340 D392 G394 Y395	D134-Q212 WeakPolarHBondContact OD2-CA 3.25Å; Q212-T214 HydrophobicContact CG-CG2 4.17Å; Q212-V340 HydrophobicContact CB-CG1 4.47Å; Q212-V340 HydrophobicContact CB-CG2 4.47Å; Q212-V340 HydrophobicContact CG-CG2 4.26Å; Q212-D392 PolarHBondContact NE2-O 2.81Å; Q212-D392 VanDerWaalsContact OE1-N 3.13Å; Q212-D392 PolarHBondContact OE1-OD1 2.94Å; Q212-G394 WeakPolarHBondContact O-CA 3.42Å; Q212-Y395 PolarHBondContact O-N 2.92Å
213	W	94.4	Very high	92.6	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.3	179.1	-66.9	99.6	0	0	0	111.4	T132 D134 L135 F173 L191 F207 D208 E211 L397 V400	T132-W213 HydrophobicContact CG2-CB 4.04Å; T132-W213 HydrophobicContact CG2-CG 4.22Å; D134-W213 HydrophobicContact CB-CB 4.23Å; D134-W213 WeakPolarHBondContact CB-O 3.45Å; D134-W213 PolarHBondContact OD2-N 3.37Å; L135-W213 HydrophobicContact CD1-CB 4.07Å; F173-W213 AromaticContact CD1-NE1 3.73Å; F173-W213 AromaticContact CE1-CD1 3.78Å; F173-W213 HydrophobicContact CE1-CD2 4.2Å; F173-W213 AromaticContact CE1-CE2 3.92Å; F173-W213 HydrophobicContact CE1-CG 4.1Å; F173-W213 AromaticContact CE1-NE1 3.61Å; L191-W213 HydrophobicContact CB-CH2 4.3Å; L191-W213 WeakPolarHBondContact O-CH2 3.33Å; L191-W213 WeakPolarHBondContact O-CZ2 3.3Å; F207-W213 HydrophobicContact CB-CH2 4.31Å; F207-W213 HydrophobicContact CB-CZ2 3.72Å; F207-W213 AromaticContact CD1-CH2 3.78Å; F207-W213 HydrophobicContact CD1-CH2 3.78Å; F207-W213 HydrophobicContact CD1-CZ2 4.06Å; F207-W213 HydrophobicContact CD1-CZ3 4.29Å; F207-W213 HydrophobicContact CG-CZ2 4.4Å; D208-W213 WeakPolarHBondContact O-CZ2 3.43Å; D208-W213 PolarHBondContact O-NE1 3.05Å; E211-W213 HydrophobicContact CB-CZ2 4.19Å; E211-W213 PolarHBondContact O-N 3.38Å; W213-L397 HydrophobicContact CD2-CD1 4.08Å; W213-L397 HydrophobicContact CE3-CB 3.96Å; W213-L397 HydrophobicContact CE3-CD1 3.74Å; W213-L397 HydrophobicContact CE3-CG 4.47Å; W213-L397 HydrophobicContact CZ3-CD1 4.09Å; W213-V400 HydrophobicContact CH2-CB 4.18Å; W213-V400 HydrophobicContact CH2-CG1 3.9Å; W213-V400 HydrophobicContact CH2-CG2 4.32Å; W213-V400 HydrophobicContact CZ3-CB 3.82Å; W213-V400 HydrophobicContact CZ3-CG1 4.08Å; W213-V400 HydrophobicContact CZ3-CG2 3.84Å
214	T	94.6	Very high	92.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-172.4	-179	69.4	0	0	0	0	110.4	Q212 G216 G218 Q393 Y395 S396 L397	Q212-T214 HydrophobicContact CG-CG2 4.17Å; T214-G216 VanDerWaalsContact C-N 3.29Å; T214-G216 WeakPolarHBondContact OG1-CA 3.45Å; T214-G216 PolarHBondContact OG1-N 2.96Å; T214-G218 WeakPolarHBondContact CB-O 3.49Å; T214-G218 VanDerWaalsContact CG2-O 3.24Å; T214-G218 WeakPolarHBondContact CG2-O 2.9Å; T214-Q393 WeakPolarHBondContact CG2-O 2.88Å; T214-Q393 PolarHBondContact OG1-O 3.4Å; T214-Y395 PolarHBondContact N-O 2.59Å; T214-S396 VanDerWaalsContact O-CA 3.32Å; T214-S396 WeakPolarHBondContact O-CA 3.45Å; T214-L397 PolarHBondContact O-N 2.84Å
215	L	93.6	Very high	92.5	Very high	56 Å²	56	22.7 Å²	22.7	29%	0.293	11%	0.113	S	C	.	.	S	Bend	trans	-90	1.8	163.8	-65.4	176.8	0	0	0	112.4	V139 V220 S396	V139-L215 HydrophobicContact CG1-CD1 4.35Å; V139-L215 HydrophobicContact CG1-CD2 4.11Å; V139-L215 HydrophobicContact CG1-CG 4.45Å; L215-V220 HydrophobicContact CB-CG2 4.06Å; L215-V220 HydrophobicContact CD1-CG1 4.35Å; L215-V220 HydrophobicContact CD1-CG2 4.16Å; L215-V220 HydrophobicContact CG-CG2 3.94Å; L215-S396 WeakPolarHBondContact O-CB 3.33Å; L215-S396 PolarHBondContact O-OG 3.48Å
216	G	89.7	Confident	92.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	107.9	-8.3	174.3	0	0	0	0	0	115.6	T214 F427	T214-G216 VanDerWaalsContact C-N 3.29Å; T214-G216 WeakPolarHBondContact OG1-CA 3.45Å; T214-G216 PolarHBondContact OG1-N 2.96Å; G216-F427 VanDerWaalsContact CA-CE2 3.46Å
217	E	88.1	Confident	92.1	Very high	108 Å²	108	28.3 Å²	28.3	51%	0.505	15%	0.152	S	C	.	.	S	Bend	trans	-113.9	31.8	-179.9	-58.9	-172.3	165.8	0	0	112.5	F427 K429	E217-F427 HydrophobicContact CG-CE1 3.67Å; E217-F427 HydrophobicContact CG-CE2 4.46Å; E217-F427 HydrophobicContact CG-CZ 3.44Å; E217-F427 VanDerWaalsContact CG-CZ 3.44Å; E217-K429 WeakPolarHBondContact OE1-CD 3.47Å; E217-K429 WeakPolarHBondContact OE1-CE 3.5Å; E217-K429 WeakPolarHBondContact OE1-CG 3.31Å; E217-K429 IonicContact OE1-NZ 2.74Å; E217-K429 PolarHBondContact OE1-NZ 2.94Å; E217-K429 IonicContact OE2-NZ 3.65Å; E217-K429 PolarHBondContact OE2-NZ 2.8Å
218	G	88.7	Confident	92	Very high	15 Å²	15	28.5 Å²	28.5	16%	0.155	15%	0.154	C	C	.	.	S	Bend	trans	96.8	-178.5	-176	0	0	0	0	0	114.1	T214 V220 Q393	T214-G218 WeakPolarHBondContact CB-O 3.49Å; T214-G218 VanDerWaalsContact CG2-O 3.24Å; T214-G218 WeakPolarHBondContact CG2-O 2.9Å; G218-V220 PolarHBondContact O-N 3.37Å; G218-Q393 VanDerWaalsContact CA-O 3.29Å; G218-Q393 WeakPolarHBondContact CA-O 3.32Å; G218-Q393 PolarHBondContact N-O 3.44Å
219	Q	89.1	Confident	91.9	Very high	25 Å²	25	33.5 Å²	33.5	12%	0.117	18%	0.181	C	C	.	.			trans	-55.3	133	-173.1	-167.6	-179.7	31.7	0	0	111.8	V221 F235 M337	Q219-V221 HydrophobicContact CG-CG2 3.89Å; Q219-F235 HydrophobicContact CB-CE2 4.5Å; Q219-F235 WeakPolarHBondContact O-CD2 3.24Å; Q219-M337 PolarHBondContact NE2-O 3.05Å; Q219-M337 PolarHBondContact OE1-O 3.18Å
220	V	92.2	Very high	91.9	Very high	17 Å²	17	33.9 Å²	33.9	10%	0.103	19%	0.192	C	C	.	.			trans	-110.5	124.1	175.2	179.7	0	0	0	0	106.9	L135 L215 G218 F232	L135-V220 HydrophobicContact CD2-CB 3.68Å; L135-V220 HydrophobicContact CD2-CG1 4.17Å; L135-V220 HydrophobicContact CD2-CG2 4.37Å; L215-V220 HydrophobicContact CB-CG2 4.06Å; L215-V220 HydrophobicContact CD1-CG1 4.35Å; L215-V220 HydrophobicContact CD1-CG2 4.16Å; L215-V220 HydrophobicContact CG-CG2 3.94Å; G218-V220 PolarHBondContact O-N 3.37Å; V220-F232 HydrophobicContact CG1-CD1 3.61Å; V220-F232 HydrophobicContact CG1-CE1 3.84Å; V220-F232 HydrophobicContact CG1-CG 4.28Å
221	V	92.5	Very high	92.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.2	C	C	.	.			trans	-130.2	123.2	177.3	179.1	0	0	0	0	108.2	Q219 F232 C233 F235 C274 E334 A336	Q219-V221 HydrophobicContact CG-CG2 3.89Å; V221-F232 CarbonylContact O-C 3.58Å; V221-F232 WeakPolarHBondContact O-CA 3.38Å; V221-C233 HydrophobicContact CB-CB 4.19Å; V221-C233 PolarHBondContact O-N 2.9Å; V221-F235 HydrophobicContact CG2-CE2 4.18Å; V221-C274 HydrophobicContact CG1-CB 4.04Å; V221-E334 WeakPolarHBondContact CA-OE1 3.41Å; V221-A336 HydrophobicContact CG1-CB 4.08Å; V221-A336 HydrophobicContact CG2-CB 4.25Å
222	K	93.6	Very high	92.5	Very high	21 Å²	21	40 Å²	40	9%	0.091	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-88.3	113.9	176.9	-168.1	175.9	179.5	177.2	0	109.8	D136 E138 F232 P275 E334	D136-K222 HydrophobicContact CB-CB 4.05Å; D136-K222 HydrophobicContact CB-CD 3.86Å; D136-K222 WeakPolarHBondContact OD2-CD 3.34Å; D136-K222 IonicContact OD2-NZ 3.79Å; D136-K222 PolarHBondContact OD2-NZ 3.22Å; E138-K222 IonicContact OE2-NZ 2.89Å; E138-K222 PolarHBondContact OE2-NZ 3.07Å; K222-F232 HydrophobicContact CB-CD1 4.09Å; K222-F232 HydrophobicContact CB-CE1 4.01Å; K222-F232 HydrophobicContact CD-CE1 4.39Å; K222-F232 HydrophobicContact CG-CD1 4.38Å; K222-F232 HydrophobicContact CG-CE1 4.15Å; K222-P275 WeakPolarHBondContact O-CD 3.04Å; K222-E334 PolarHBondContact N-OE1 2.92Å; K222-E334 PolarHBondContact N-OE2 3.42Å
223	V	93.9	Very high	92.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.			trans	-68.7	145.3	-174.9	-60	0	0	0	0	111.6	A228 G230 E231 C233 C259 T261	V223-A228 WeakPolarHBondContact CG2-O 2.97Å; V223-G230 PolarHBondContact O-N 3.01Å; V223-E231 HydrophobicContact CG2-CB 4.43Å; V223-E231 WeakPolarHBondContact CG2-O 3.39Å; V223-E231 PolarHBondContact N-O 3.06Å; V223-C233 VanDerWaalsContact CG1-SG 3.57Å; V223-C259 WeakPolarHBondContact CG1-SG 3.26Å; V223-T261 HydrophobicContact CG1-CG2 4.25Å; V223-T261 HydrophobicContact CG2-CG2 3.94Å
224	K	92.5	Very high	92.6	Very high	27 Å²	27	45.5 Å²	45.5	12%	0.117	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-115.4	141.8	175.4	-52	-65.5	176.5	-179.9	0	109.7	D136 D229 F273 P275 F280 L282	D136-K224 IonicContact OD1-NZ 3.66Å; D136-K224 PolarHBondContact OD1-NZ 3.25Å; K224-D229 WeakPolarHBondContact CA-OD1 3.37Å; K224-F273 PolarHBondContact N-O 3.43Å; K224-F273 WeakPolarHBondContact O-CB 3.17Å; K224-F273 PolarHBondContact O-N 2.99Å; K224-P275 HydrophobicContact CG-CG 3.72Å; K224-F280 HydrophobicContact CB-CE2 4.19Å; K224-F280 HydrophobicContact CB-CZ 4.02Å; K224-F280 HydrophobicContact CG-CE2 4.3Å; K224-F280 HydrophobicContact CG-CZ 4.21Å; K224-L282 HydrophobicContact CD-CD1 3.96Å; K224-L282 HydrophobicContact CG-CD1 4.15Å
225	F	91.8	Very high	92.4	Very high	112 Å²	112	47.2 Å²	47.2	49%	0.491	25%	0.251	S	S	.	.	S	Bend	trans	55.5	-159.5	-175.7	-40.1	-76	0	0	0	112.4	D229 F273 F280 L282	F225-D229 PolarHBondContact N-OD1 3.38Å; F225-D229 WeakPolarHBondContact O-CA 3.35Å; F225-D229 PolarHBondContact O-N 3.13Å; F225-F273 HydrophobicContact CB-CD2 4Å; F225-F280 AromaticContact CE2-CD2 3.97Å; F225-F280 HydrophobicContact CE2-CD2 3.97Å; F225-F280 AromaticContact CE2-CE2 3.8Å; F225-F280 HydrophobicContact CE2-CE2 3.8Å; F225-F280 HydrophobicContact CE2-CZ 4.26Å; F225-L282 HydrophobicContact CZ-CD2 4.33Å
226	G	92.5	Very high	92.2	Very high	38 Å²	38	46.8 Å²	46.8	39%	0.392	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-161.1	-175.6	0	0	0	0	0	112.6
227	N	94.1	Very high	92.2	Very high	99 Å²	99	46.7 Å²	46.7	53%	0.529	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3.8	179.3	63.6	0.8	0	0	0	113	G269 K270 Y271	N227-G269 PolarHBondContact ND2-O 2.73Å; N227-K270 WeakPolarHBondContact OD1-CA 3.22Å; N227-Y271 PolarHBondContact N-O 3.23Å; N227-Y271 PolarHBondContact OD1-N 3.36Å; N227-Y271 PolarHBondContact OD1-O 2.83Å
228	A	94.7	Very high	92.3	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.041	23%	0.234	C	C	.	.	S	Bend	trans	-136.1	31.6	-179.4	0	0	0	0	0	112.7	V223 G230 E231 T261 K270 Y271	V223-A228 WeakPolarHBondContact CG2-O 2.97Å; A228-G230 PolarHBondContact O-N 3.46Å; A228-E231 HydrophobicContact CB-CB 4.42Å; A228-E231 HydrophobicContact CB-CG 4.36Å; A228-E231 WeakPolarHBondContact O-CB 2.98Å; A228-E231 PolarHBondContact O-N 3.24Å; A228-T261 HydrophobicContact CB-CG2 3.61Å; A228-K270 HydrophobicContact CB-CB 4.34Å; A228-Y271 PolarHBondContact N-O 2.95Å
229	D	94.1	Very high	92.5	Very high	104 Å²	104	43.2 Å²	43.2	56%	0.556	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	129.2	179.2	-177.3	61.5	0	0	0	112.2	K224 F225 E231	K224-D229 WeakPolarHBondContact CA-OD1 3.37Å; F225-D229 PolarHBondContact N-OD1 3.38Å; F225-D229 WeakPolarHBondContact O-CA 3.35Å; F225-D229 PolarHBondContact O-N 3.13Å; D229-E231 VanDerWaalsContact C-N 3.35Å
230	G	91	Very high	92.4	Very high	38 Å²	38	48.8 Å²	48.8	39%	0.392	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-8	-178.7	0	0	0	0	0	115.8	V223 A228	V223-G230 PolarHBondContact O-N 3.01Å; A228-G230 PolarHBondContact O-N 3.46Å
231	E	95.1	Very high	92.1	Very high	78 Å²	78	51 Å²	51	36%	0.364	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-76.1	170.3	168.1	-65.3	-173.5	-179.2	0	0	111	V223 A228 D229 T261 K270	V223-E231 HydrophobicContact CG2-CB 4.43Å; V223-E231 WeakPolarHBondContact CG2-O 3.39Å; V223-E231 PolarHBondContact N-O 3.06Å; A228-E231 HydrophobicContact CB-CB 4.42Å; A228-E231 HydrophobicContact CB-CG 4.36Å; A228-E231 WeakPolarHBondContact O-CB 2.98Å; A228-E231 PolarHBondContact O-N 3.24Å; D229-E231 VanDerWaalsContact C-N 3.35Å; E231-T261 HydrophobicContact CB-CG2 3.84Å; E231-T261 WeakPolarHBondContact OE2-CB 3.46Å; E231-T261 PolarHBondContact OE2-OG1 3.28Å; E231-K270 IonicContact OE1-NZ 2.79Å
232	F	95.3	Very high	91.7	Very high	93 Å²	93	54.5 Å²	54.5	41%	0.408	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-96.6	146.6	173.7	-62.3	-65.6	0	0	0	111	V139 V220 V221 K222 K234	V139-F232 HydrophobicContact CG2-CE1 3.68Å; V139-F232 HydrophobicContact CG2-CZ 3.77Å; V220-F232 HydrophobicContact CG1-CD1 3.61Å; V220-F232 HydrophobicContact CG1-CE1 3.84Å; V220-F232 HydrophobicContact CG1-CG 4.28Å; V221-F232 CarbonylContact O-C 3.58Å; V221-F232 WeakPolarHBondContact O-CA 3.38Å; K222-F232 HydrophobicContact CB-CD1 4.09Å; K222-F232 HydrophobicContact CB-CE1 4.01Å; K222-F232 HydrophobicContact CD-CE1 4.39Å; K222-F232 HydrophobicContact CG-CD1 4.38Å; K222-F232 HydrophobicContact CG-CE1 4.15Å; F232-K234 PolarHBondContact O-N 3.42Å
233	C	94.1	Very high	91.4	Very high	11 Å²	11	57.3 Å²	57.3	7%	0.074	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-56.1	135.2	166.4	-66.7	0	0	0	0	110.3	V221 V223 F235 C259	V221-C233 HydrophobicContact CB-CB 4.19Å; V221-C233 PolarHBondContact O-N 2.9Å; V223-C233 VanDerWaalsContact CG1-SG 3.57Å; C233-F235 HydrophobicContact CB-CD2 4.12Å; C233-F235 HydrophobicContact CB-CE1 4.03Å; C233-F235 HydrophobicContact CB-CE2 3.45Å; C233-F235 VanDerWaalsContact CB-CE2 3.45Å; C233-F235 HydrophobicContact CB-CZ 3.39Å; C233-C259 WeakPolarHBondContact CA-SG 3.24Å; C233-C259 HydrophobicContact CB-CB 3.73Å; C233-C259 WeakPolarHBondContact CB-SG 3.22Å; C233-C259 WeakPolarHBondContact SG-CB 3.16Å; C233-C259 CovalentContact SG-SG 2Å; C233-C259 PolarHBondContact SG-SG 2.88Å
234	K	93.5	Very high	90.9	Very high	106 Å²	106	59.2 Å²	59.2	46%	0.461	33%	0.327	S	S	.	.			trans	-95.4	106.5	173	-177.9	60.5	178	171.7	0	108.7	F232 P236 F237 S260	F232-K234 PolarHBondContact O-N 3.42Å; K234-P236 CarbonylContact O-C 3.45Å; K234-P236 VanDerWaalsContact O-C 3.24Å; K234-F237 WeakPolarHBondContact O-CB 3.36Å; K234-F237 PolarHBondContact O-N 3.41Å; K234-S260 PolarHBondContact N-O 2.8Å
235	F	89.8	Confident	90.5	Very high	36 Å²	36	62.9 Å²	62.9	16%	0.158	35%	0.348	C	S	.	.	S	Bend	trans	-103.6	139.5	172.2	-58.9	-57	0	0	0	111.2	Q219 V221 C233 F237 N245 S246 C259	Q219-F235 HydrophobicContact CB-CE2 4.5Å; Q219-F235 WeakPolarHBondContact O-CD2 3.24Å; V221-F235 HydrophobicContact CG2-CE2 4.18Å; C233-F235 HydrophobicContact CB-CD2 4.12Å; C233-F235 HydrophobicContact CB-CE1 4.03Å; C233-F235 HydrophobicContact CB-CE2 3.45Å; C233-F235 VanDerWaalsContact CB-CE2 3.45Å; C233-F235 HydrophobicContact CB-CZ 3.39Å; F235-F237 AromaticContact CD1-CD1 3.99Å; F235-F237 HydrophobicContact CD1-CD1 3.99Å; F235-F237 HydrophobicContact CD1-CE1 4.23Å; F235-F237 HydrophobicContact CE1-CD1 4.08Å; F235-F237 AromaticContact CE1-CE1 3.89Å; F235-F237 HydrophobicContact CE1-CE1 3.89Å; F235-N245 VanDerWaalsContact CD1-C 3.43Å; F235-S246 VanDerWaalsContact CE1-CA 3.43Å; F235-S246 WeakPolarHBondContact CE1-O 3.4Å; F235-C259 HydrophobicContact CE1-CB 4.15Å; F235-C259 HydrophobicContact CZ-CB 4.26Å
236	P	89.6	Confident	90.3	Very high	47 Å²	47	59 Å²	59	31%	0.305	34%	0.335	S	S	.	.	S	Bend	cis	-62.7	154.2	-19.4	24.1	-30.9	0	0	0	112.2	K234 E243 Y244 N245 Y263	K234-P236 CarbonylContact O-C 3.45Å; K234-P236 VanDerWaalsContact O-C 3.24Å; P236-E243 HydrophobicContact CB-CB 4.48Å; P236-Y244 VanDerWaalsContact CA-O 3.29Å; P236-Y244 WeakPolarHBondContact CA-O 3.5Å; P236-N245 WeakPolarHBondContact CB-OD1 3.31Å; P236-Y263 HydrophobicContact CG-CE2 4.25Å; P236-Y263 VanDerWaalsContact O-CD2 3.23Å; P236-Y263 WeakPolarHBondContact O-CD2 3.39Å
237	F	91.2	Very high	90.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.8	161.6	69.1	-86	0	0	0	111.5	K234 F235 F239 E243 Y244 T248 W258 C259 T262 Y263	K234-F237 WeakPolarHBondContact O-CB 3.36Å; K234-F237 PolarHBondContact O-N 3.41Å; F235-F237 AromaticContact CD1-CD1 3.99Å; F235-F237 HydrophobicContact CD1-CD1 3.99Å; F235-F237 HydrophobicContact CD1-CE1 4.23Å; F235-F237 HydrophobicContact CE1-CD1 4.08Å; F235-F237 AromaticContact CE1-CE1 3.89Å; F235-F237 HydrophobicContact CE1-CE1 3.89Å; F237-F239 HydrophobicContact CD2-CB 4.21Å; F237-F239 HydrophobicContact CE2-CB 3.97Å; F237-E243 CarbonylContact O-C 3.55Å; F237-E243 WeakPolarHBondContact O-CA 3.4Å; F237-Y244 HydrophobicContact CD2-CD2 4.46Å; F237-Y244 HydrophobicContact CE1-CG 4.43Å; F237-Y244 AromaticContact CE2-CD2 3.89Å; F237-Y244 HydrophobicContact CE2-CD2 3.89Å; F237-Y244 HydrophobicContact CE2-CG 4.22Å; F237-Y244 HydrophobicContact CZ-CD2 4.1Å; F237-Y244 AromaticContact CZ-CG 3.95Å; F237-Y244 HydrophobicContact CZ-CG 3.95Å; F237-Y244 PolarHBondContact N-O 2.81Å; F237-Y244 PolarHBondContact O-N 3.48Å; F237-T248 HydrophobicContact CZ-CG2 4.05Å; F237-W258 AromaticContact CE2-CH2 3.99Å; F237-W258 HydrophobicContact CE2-CH2 3.99Å; F237-W258 HydrophobicContact CE2-CZ3 4.08Å; F237-C259 HydrophobicContact CD1-CB 4.45Å; F237-C259 HydrophobicContact CE1-CB 3.87Å; F237-C259 HydrophobicContact CZ-CB 4.39Å; F237-T262 WeakPolarHBondContact CB-O 3.2Å; F237-Y263 CarbonylContact C-O 3.59Å; F237-Y263 WeakPolarHBondContact CA-O 3.34Å
238	L	90.2	Very high	89.6	Confident	28 Å²	28	53.6 Å²	53.6	15%	0.147	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.7	178.5	-174.9	70.5	0	0	0	110.1	E243 Y263 F265	L238-E243 HydrophobicContact CD1-CG 4.11Å; L238-Y263 HydrophobicContact CB-CE1 4.06Å; L238-Y263 HydrophobicContact CD2-CE1 4.49Å; L238-Y263 PolarHBondContact N-O 2.82Å; L238-F265 WeakPolarHBondContact O-CB 3.43Å; L238-F265 PolarHBondContact O-N 2.92Å; L238-F265 VanDerWaalsContact O-N 3.15Å
239	F	91.3	Very high	89.2	Confident	22 Å²	22	55.6 Å²	55.6	10%	0.096	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	124.8	172.9	172.3	-117.6	0	0	0	110.1	F237 G241 T242 Y244 W258 F265	F237-F239 HydrophobicContact CD2-CB 4.21Å; F237-F239 HydrophobicContact CE2-CB 3.97Å; F239-G241 PolarHBondContact O-N 2.97Å; F239-G241 VanDerWaalsContact O-N 3.13Å; F239-T242 PolarHBondContact N-O 2.95Å; F239-T242 PolarHBondContact O-N 3Å; F239-Y244 HydrophobicContact CB-CD2 4.11Å; F239-Y244 HydrophobicContact CB-CE2 3.9Å; F239-Y244 AromaticContact CD1-CE2 3.95Å; F239-Y244 HydrophobicContact CD1-CE2 3.95Å; F239-Y244 HydrophobicContact CG-CE2 4.43Å; F239-W258 HydrophobicContact CB-CH2 4.26Å; F239-W258 HydrophobicContact CD1-CH2 4.14Å; F239-W258 AromaticContact CD1-CZ2 3.78Å; F239-W258 HydrophobicContact CD1-CZ2 3.78Å; F239-W258 AromaticContact CD2-CH2 3.79Å; F239-W258 HydrophobicContact CD2-CH2 3.79Å; F239-W258 HydrophobicContact CD2-CZ2 4.11Å; F239-W258 HydrophobicContact CE1-CH2 4.43Å; F239-W258 AromaticContact CE1-CZ2 3.79Å; F239-W258 HydrophobicContact CE1-CZ2 3.79Å; F239-W258 HydrophobicContact CE2-CH2 4.09Å; F239-W258 HydrophobicContact CE2-CZ2 4.1Å; F239-W258 AromaticContact CG-CH2 3.8Å; F239-W258 HydrophobicContact CG-CH2 3.8Å; F239-W258 AromaticContact CG-CZ2 3.93Å; F239-W258 HydrophobicContact CG-CZ2 3.93Å; F239-W258 HydrophobicContact CZ-CH2 4.4Å; F239-W258 AromaticContact CZ-CZ2 3.93Å; F239-W258 HydrophobicContact CZ-CZ2 3.93Å; F239-F265 AromaticContact CD2-CD1 3.52Å; F239-F265 HydrophobicContact CD2-CD1 3.52Å; F239-F265 AromaticContact CD2-CE1 3.97Å; F239-F265 HydrophobicContact CD2-CE1 3.97Å; F239-F265 HydrophobicContact CD2-CG 4.37Å; F239-F265 AromaticContact CE2-CD1 3.94Å; F239-F265 HydrophobicContact CE2-CD1 3.94Å; F239-F265 AromaticContact CE2-CE1 3.91Å; F239-F265 HydrophobicContact CE2-CE1 3.91Å
240	M	88.1	Confident	88.7	Confident	142 Å²	142	55.7 Å²	55.7	70%	0.7	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	31.6	-179.4	-61.8	-173	66.3	0	0	114.3	T242 D266	M240-T242 VanDerWaalsContact C-N 3.31Å; M240-T242 PolarHBondContact O-N 3.17Å; M240-D266 PolarHBondContact N-OD2 2.93Å; M240-D266 VanDerWaalsContact N-OD2 3.11Å
241	G	85.4	Confident	88.4	Confident	64 Å²	64	57 Å²	57	66%	0.66	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	3.5	-178.5	0	0	0	0	0	115.5	F239	F239-G241 PolarHBondContact O-N 2.97Å; F239-G241 VanDerWaalsContact O-N 3.13Å
242	T	84.9	Confident	87.9	Confident	74 Å²	74	57 Å²	57	45%	0.454	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.2	175.4	-56.4	0	0	0	0	110	F239 M240 Y244	F239-T242 PolarHBondContact N-O 2.95Å; F239-T242 PolarHBondContact O-N 3Å; M240-T242 VanDerWaalsContact C-N 3.31Å; M240-T242 PolarHBondContact O-N 3.17Å; T242-Y244 HydrophobicContact CG2-CE1 4.49Å; T242-Y244 HydrophobicContact CG2-CE2 3.98Å; T242-Y244 WeakPolarHBondContact O-CD2 3.32Å
243	E	85.9	Confident	87.3	Confident	79 Å²	79	61.1 Å²	61.1	37%	0.369	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.5	174.5	-70	-177.4	157.5	0	0	111	P236 F237 L238 Y263 R547	P236-E243 HydrophobicContact CB-CB 4.48Å; F237-E243 CarbonylContact O-C 3.55Å; F237-E243 WeakPolarHBondContact O-CA 3.4Å; L238-E243 HydrophobicContact CD1-CG 4.11Å; E243-Y263 PolarHBondContact OE1-OH 3.32Å; E243-R547 IonicContact OE1-CZ 3.67Å; E243-R547 VanDerWaalsContact OE1-CZ 3.29Å; E243-R547 IonicContact OE1-NE 2.71Å; E243-R547 IonicContact OE1-NH1 3.84Å; E243-R547 PolarHBondContact OE1-NH1 2.95Å
244	Y	84.2	Confident	86.8	Confident	40 Å²	40	64.5 Å²	64.5	16%	0.157	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.9	178.2	-65.4	-87.9	0	0	0	109.6	P236 F237 F239 T242 T248 Q250	P236-Y244 VanDerWaalsContact CA-O 3.29Å; P236-Y244 WeakPolarHBondContact CA-O 3.5Å; F237-Y244 HydrophobicContact CD2-CD2 4.46Å; F237-Y244 HydrophobicContact CE1-CG 4.43Å; F237-Y244 AromaticContact CE2-CD2 3.89Å; F237-Y244 HydrophobicContact CE2-CD2 3.89Å; F237-Y244 HydrophobicContact CE2-CG 4.22Å; F237-Y244 HydrophobicContact CZ-CD2 4.1Å; F237-Y244 AromaticContact CZ-CG 3.95Å; F237-Y244 HydrophobicContact CZ-CG 3.95Å; F237-Y244 PolarHBondContact N-O 2.81Å; F237-Y244 PolarHBondContact O-N 3.48Å; F239-Y244 HydrophobicContact CB-CD2 4.11Å; F239-Y244 HydrophobicContact CB-CE2 3.9Å; F239-Y244 AromaticContact CD1-CE2 3.95Å; F239-Y244 HydrophobicContact CD1-CE2 3.95Å; F239-Y244 HydrophobicContact CG-CE2 4.43Å; T242-Y244 HydrophobicContact CG2-CE1 4.49Å; T242-Y244 HydrophobicContact CG2-CE2 3.98Å; T242-Y244 WeakPolarHBondContact O-CD2 3.32Å; Y244-T248 HydrophobicContact CD1-CG2 3.82Å; Y244-T248 HydrophobicContact CE1-CG2 3.97Å; Y244-T248 HydrophobicContact CG-CG2 4.16Å; Y244-Q250 HydrophobicContact CE1-CB 4.26Å; Y244-Q250 HydrophobicContact CE1-CG 3.92Å
245	N	84.4	Confident	86.1	Confident	105 Å²	105	61.2 Å²	61.2	56%	0.561	36%	0.359	S	S	*	.	S	Bend	trans	-101	4.2	177.9	-68.7	-65.7	0	0	0	113.1	F235 P236	F235-N245 VanDerWaalsContact CD1-C 3.43Å; P236-N245 WeakPolarHBondContact CB-OD1 3.31Å
246	S	86.3	Confident	85.9	Confident	31 Å²	31	62.5 Å²	62.5	22%	0.217	36%	0.364	C	S	.	.	S	Bend	trans	-148.9	170.1	176.6	68.6	0	0	0	0	108.9	F235	F235-S246 VanDerWaalsContact CE1-CA 3.43Å; F235-S246 WeakPolarHBondContact CE1-O 3.4Å
247	C	88.2	Confident	85.9	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.034	35%	0.353	C	S	.	.			trans	-59.3	147.9	172	-64.3	0	0	0	0	111.6	L257 C274 A336	C247-L257 HydrophobicContact CB-CB 4.15Å; C247-C274 HydrophobicContact CB-CB 3.61Å; C247-C274 WeakPolarHBondContact CB-SG 3.38Å; C247-C274 WeakPolarHBondContact SG-CB 3.34Å; C247-C274 CovalentContact SG-SG 2.02Å; C247-C274 PolarHBondContact SG-SG 3.01Å; C247-A336 HydrophobicContact CB-CB 4.49Å
248	T	85.4	Confident	86	Confident	17 Å²	17	61.3 Å²	61.3	10%	0.104	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-139.8	152.8	-176	-166.2	0	0	0	0	111.5	F237 Y244 Q250 L257 W258	F237-T248 HydrophobicContact CZ-CG2 4.05Å; Y244-T248 HydrophobicContact CD1-CG2 3.82Å; Y244-T248 HydrophobicContact CE1-CG2 3.97Å; Y244-T248 HydrophobicContact CG-CG2 4.16Å; T248-Q250 HydrophobicContact CG2-CB 4.12Å; T248-Q250 VanDerWaalsContact OG1-CG 3.23Å; T248-Q250 WeakPolarHBondContact OG1-CG 3.35Å; T248-Q250 PolarHBondContact OG1-N 2.77Å; T248-L257 WeakPolarHBondContact O-CA 3.41Å; T248-W258 PolarHBondContact N-O 2.6Å; T248-W258 PolarHBondContact O-N 2.91Å
249	S	85.5	Confident	86.2	Confident	48 Å²	48	60 Å²	60	34%	0.336	35%	0.348	S	S	.	.			trans	-96.1	2.8	169.2	55.2	0	0	0	0	112.4	G251 R252	S249-G251 PolarHBondContact O-N 3.03Å; S249-R252 WeakPolarHBondContact O-CB 3.22Å; S249-R252 PolarHBondContact O-N 2.94Å
250	Q	83.7	Confident	86.4	Confident	105 Å²	105	59 Å²	59	49%	0.491	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	136.1	-177.5	-69.8	-66.4	-10.5	0	0	111.7	Y244 T248 R252 W258	Y244-Q250 HydrophobicContact CE1-CB 4.26Å; Y244-Q250 HydrophobicContact CE1-CG 3.92Å; T248-Q250 HydrophobicContact CG2-CB 4.12Å; T248-Q250 VanDerWaalsContact OG1-CG 3.23Å; T248-Q250 WeakPolarHBondContact OG1-CG 3.35Å; T248-Q250 PolarHBondContact OG1-N 2.77Å; Q250-R252 VanDerWaalsContact C-N 3.3Å; Q250-W258 PolarHBondContact O-NE1 3.06Å
251	G	83.8	Confident	86.7	Confident	65 Å²	65	53 Å²	53	67%	0.67	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	3.6	-174	0	0	0	0	0	115	S249	S249-G251 PolarHBondContact O-N 3.03Å
252	R	84.6	Confident	87	Confident	78 Å²	78	50.7 Å²	50.7	29%	0.294	29%	0.288	S	S	.	.			trans	-122.9	142.3	176	-56.8	-167.2	67.5	89.1	1.9	112.5	S249 Q250 D254 F273	S249-R252 WeakPolarHBondContact O-CB 3.22Å; S249-R252 PolarHBondContact O-N 2.94Å; Q250-R252 VanDerWaalsContact C-N 3.3Å; R252-D254 WeakPolarHBondContact CB-OD1 3.29Å; R252-D254 IonicContact CZ-OD1 2.86Å; R252-D254 IonicContact CZ-OD2 3.43Å; R252-D254 IonicContact NE-OD1 2.83Å; R252-D254 PolarHBondContact NE-OD1 2.83Å; R252-D254 IonicContact NE-OD2 3.97Å; R252-D254 PolarHBondContact NE-OD2 3.28Å; R252-D254 IonicContact NH2-OD1 3.69Å; R252-D254 IonicContact NH2-OD2 3.45Å; R252-D254 PolarHBondContact NH2-OD2 2.9Å; R252-F273 VanDerWaalsContact CZ-CE1 3.46Å
253	D	83.7	Confident	87.3	Confident	180 Å²	180	50.4 Å²	50.4	96%	0.963	28%	0.279	S	S	*	.	S	Bend	trans	-94.8	-15	177.3	-63.2	-41.5	0	0	0	113.2	G255	D253-G255 VanDerWaalsContact C-N 3.34Å
254	D	83.1	Confident	87.6	Confident	82 Å²	82	47.9 Å²	47.9	44%	0.439	27%	0.268	S	S	.	.	S	Bend	trans	-87.2	-3.4	-177.4	58	11.4	0	0	0	113.7	R252 F256	R252-D254 WeakPolarHBondContact CB-OD1 3.29Å; R252-D254 IonicContact CZ-OD1 2.86Å; R252-D254 IonicContact CZ-OD2 3.43Å; R252-D254 IonicContact NE-OD1 2.83Å; R252-D254 PolarHBondContact NE-OD1 2.83Å; R252-D254 IonicContact NE-OD2 3.97Å; R252-D254 PolarHBondContact NE-OD2 3.28Å; R252-D254 IonicContact NH2-OD1 3.69Å; R252-D254 IonicContact NH2-OD2 3.45Å; R252-D254 PolarHBondContact NH2-OD2 2.9Å; D254-F256 HydrophobicContact CB-CD2 4.01Å; D254-F256 PolarHBondContact O-N 3.05Å; D254-F256 PolarHBondContact OD1-N 2.94Å
255	G	78.5	Confident	87.9	Confident	37 Å²	37	48 Å²	48	38%	0.381	27%	0.27	S	S	.	.			trans	75	1.8	178	0	0	0	0	0	114.8	D253	D253-G255 VanDerWaalsContact C-N 3.34Å
256	F	86.3	Confident	88.2	Confident	63 Å²	63	47.3 Å²	47.3	28%	0.276	27%	0.266	S	S	.	.			trans	-67.7	136.8	178.1	-83.9	-100.5	0	0	0	111.4	D254 F273 L279 F280	D254-F256 HydrophobicContact CB-CD2 4.01Å; D254-F256 PolarHBondContact O-N 3.05Å; D254-F256 PolarHBondContact OD1-N 2.94Å; F256-F273 HydrophobicContact CB-CD1 3.89Å; F256-F273 HydrophobicContact CB-CE1 3.96Å; F256-F273 HydrophobicContact CD1-CD1 4.29Å; F256-F273 HydrophobicContact CG-CD1 4.44Å; F256-L279 HydrophobicContact CD1-CB 4.11Å; F256-L279 HydrophobicContact CD1-CD1 4.38Å; F256-L279 HydrophobicContact CE1-CB 3.97Å; F256-F280 HydrophobicContact CD1-CD1 4.27Å; F256-F280 HydrophobicContact CE1-CB 4.41Å; F256-F280 AromaticContact CE1-CD1 3.89Å; F256-F280 HydrophobicContact CE1-CD1 3.89Å
257	L	89.6	Confident	88.3	Confident	13 Å²	13	53.2 Å²	53.2	7%	0.068	29%	0.29	C	S	.	.			trans	-78.8	134.9	174.4	-65.2	175.3	0	0	0	110.2	C247 T248 F273 C274 L279	C247-L257 HydrophobicContact CB-CB 4.15Å; T248-L257 WeakPolarHBondContact O-CA 3.41Å; L257-F273 WeakPolarHBondContact O-CA 3.24Å; L257-C274 HydrophobicContact CB-CB 3.99Å; L257-C274 PolarHBondContact O-N 3.32Å; L257-L279 HydrophobicContact CB-CD1 3.98Å; L257-L279 HydrophobicContact CD1-CD1 4.21Å; L257-L279 HydrophobicContact CG-CD1 3.87Å
258	W	92.7	Very high	88.5	Confident	10 Å²	10	58.2 Å²	58.2	4%	0.038	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.2	176.7	73.4	-81.3	0	0	0	110.7	F237 F239 T248 Q250 F265 Y271 G272 F273	F237-W258 AromaticContact CE2-CH2 3.99Å; F237-W258 HydrophobicContact CE2-CH2 3.99Å; F237-W258 HydrophobicContact CE2-CZ3 4.08Å; F239-W258 HydrophobicContact CB-CH2 4.26Å; F239-W258 HydrophobicContact CD1-CH2 4.14Å; F239-W258 AromaticContact CD1-CZ2 3.78Å; F239-W258 HydrophobicContact CD1-CZ2 3.78Å; F239-W258 AromaticContact CD2-CH2 3.79Å; F239-W258 HydrophobicContact CD2-CH2 3.79Å; F239-W258 HydrophobicContact CD2-CZ2 4.11Å; F239-W258 HydrophobicContact CE1-CH2 4.43Å; F239-W258 AromaticContact CE1-CZ2 3.79Å; F239-W258 HydrophobicContact CE1-CZ2 3.79Å; F239-W258 HydrophobicContact CE2-CH2 4.09Å; F239-W258 HydrophobicContact CE2-CZ2 4.1Å; F239-W258 AromaticContact CG-CH2 3.8Å; F239-W258 HydrophobicContact CG-CH2 3.8Å; F239-W258 AromaticContact CG-CZ2 3.93Å; F239-W258 HydrophobicContact CG-CZ2 3.93Å; F239-W258 HydrophobicContact CZ-CH2 4.4Å; F239-W258 AromaticContact CZ-CZ2 3.93Å; F239-W258 HydrophobicContact CZ-CZ2 3.93Å; T248-W258 PolarHBondContact N-O 2.6Å; T248-W258 PolarHBondContact O-N 2.91Å; Q250-W258 PolarHBondContact O-NE1 3.06Å; W258-F265 HydrophobicContact CH2-CD1 4.15Å; W258-F265 HydrophobicContact CH2-CD2 4.25Å; W258-F265 HydrophobicContact CH2-CE1 4.2Å; W258-F265 HydrophobicContact CH2-CE2 4.35Å; W258-F265 HydrophobicContact CH2-CG 4.13Å; W258-F265 HydrophobicContact CH2-CZ 4.3Å; W258-F265 AromaticContact CZ3-CD2 3.82Å; W258-F265 HydrophobicContact CZ3-CD2 3.82Å; W258-F265 AromaticContact CZ3-CE2 3.9Å; W258-F265 HydrophobicContact CZ3-CE2 3.9Å; W258-F265 HydrophobicContact CZ3-CG 4.14Å; W258-F265 HydrophobicContact CZ3-CZ 4.24Å; W258-Y271 HydrophobicContact CE3-CD2 4.37Å; W258-Y271 HydrophobicContact CE3-CG 4.42Å; W258-G272 WeakPolarHBondContact CA-O 3.34Å; W258-G272 WeakPolarHBondContact CB-O 3.26Å; W258-F273 HydrophobicContact CB-CD1 4.4Å
259	C	94.1	Very high	88.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.7	172.4	71.4	0	0	0	0	109.9	V223 C233 F235 F237 Y271 G272	V223-C259 WeakPolarHBondContact CG1-SG 3.26Å; C233-C259 WeakPolarHBondContact CA-SG 3.24Å; C233-C259 HydrophobicContact CB-CB 3.73Å; C233-C259 WeakPolarHBondContact CB-SG 3.22Å; C233-C259 WeakPolarHBondContact SG-CB 3.16Å; C233-C259 CovalentContact SG-SG 2Å; C233-C259 PolarHBondContact SG-SG 2.88Å; F235-C259 HydrophobicContact CE1-CB 4.15Å; F235-C259 HydrophobicContact CZ-CB 4.26Å; F237-C259 HydrophobicContact CD1-CB 4.45Å; F237-C259 HydrophobicContact CE1-CB 3.87Å; F237-C259 HydrophobicContact CZ-CB 4.39Å; C259-Y271 VanDerWaalsContact O-CA 3.31Å; C259-Y271 WeakPolarHBondContact O-CA 3.36Å; C259-Y271 VanDerWaalsContact O-CB 3.29Å; C259-Y271 WeakPolarHBondContact O-CB 3.32Å; C259-G272 PolarHBondContact N-O 2.81Å; C259-G272 PolarHBondContact O-N 2.92Å
260	S	95.2	Very high	89.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	145.6	168.6	-178.1	0	0	0	0	110.5	K234 T262 K270	K234-S260 PolarHBondContact N-O 2.8Å; S260-T262 VanDerWaalsContact C-N 3.27Å; S260-T262 WeakPolarHBondContact CB-O 3.42Å; S260-T262 PolarHBondContact OG-N 3.07Å; S260-T262 PolarHBondContact OG-O 3.15Å; S260-T262 PolarHBondContact OG-OG1 3.28Å; S260-K270 WeakPolarHBondContact CA-O 3.5Å; S260-K270 PolarHBondContact OG-O 3.06Å
261	T	94.5	Very high	89.8	Confident	17 Å²	17	58.3 Å²	58.3	10%	0.104	31%	0.31	C	S	.	.	S	Bend	trans	-91.1	2.1	172.3	70	0	0	0	0	112.4	V223 A228 E231 K270	V223-T261 HydrophobicContact CG1-CG2 4.25Å; V223-T261 HydrophobicContact CG2-CG2 3.94Å; A228-T261 HydrophobicContact CB-CG2 3.61Å; E231-T261 HydrophobicContact CB-CG2 3.84Å; E231-T261 WeakPolarHBondContact OE2-CB 3.46Å; E231-T261 PolarHBondContact OE2-OG1 3.28Å; T261-K270 PolarHBondContact N-O 3.2Å; T261-K270 VanDerWaalsContact N-O 3.16Å; T261-K270 VanDerWaalsContact OG1-CB 3.31Å; T261-K270 WeakPolarHBondContact OG1-CB 3.47Å
262	T	92.8	Very high	90.3	Very high	15 Å²	15	55.2 Å²	55.2	9%	0.092	28%	0.278	C	S	.	.	S	Bend	trans	-132.9	159.1	-179.1	60.9	0	0	0	0	109.3	F237 S260 E268 K270	F237-T262 WeakPolarHBondContact CB-O 3.2Å; S260-T262 VanDerWaalsContact C-N 3.27Å; S260-T262 WeakPolarHBondContact CB-O 3.42Å; S260-T262 PolarHBondContact OG-N 3.07Å; S260-T262 PolarHBondContact OG-O 3.15Å; S260-T262 PolarHBondContact OG-OG1 3.28Å; T262-E268 HydrophobicContact CG2-CB 4.17Å; T262-E268 HydrophobicContact CG2-CG 4.45Å; T262-E268 WeakPolarHBondContact CG2-OE2 3.32Å; T262-K270 HydrophobicContact CG2-CB 4.14Å; T262-K270 HydrophobicContact CG2-CD 3.95Å; T262-K270 HydrophobicContact CG2-CG 4.41Å
263	Y	91.3	Very high	90.8	Very high	68 Å²	68	52.9 Å²	52.9	27%	0.267	27%	0.27	S	S	.	.	S	Bend	trans	-65.6	-46.5	-178.9	176.5	-94.8	0	0	0	111.7	P236 F237 L238 E243 R547	P236-Y263 HydrophobicContact CG-CE2 4.25Å; P236-Y263 VanDerWaalsContact O-CD2 3.23Å; P236-Y263 WeakPolarHBondContact O-CD2 3.39Å; F237-Y263 CarbonylContact C-O 3.59Å; F237-Y263 WeakPolarHBondContact CA-O 3.34Å; L238-Y263 HydrophobicContact CB-CE1 4.06Å; L238-Y263 HydrophobicContact CD2-CE1 4.49Å; L238-Y263 PolarHBondContact N-O 2.82Å; E243-Y263 PolarHBondContact OE1-OH 3.32Å; Y263-R547 PolarHBondContact OH-NE 3.29Å; Y263-R547 PolarHBondContact OH-NH1 3.41Å; Y263-R547 VanDerWaalsContact OH-NH1 3.16Å; Y263-R547 PolarHBondContact OH-NH2 3.12Å
264	N	91.3	Very high	91.2	Very high	27 Å²	27	44.3 Å²	44.3	14%	0.144	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-105.7	94.3	-177	-165.5	-11	0	0	0	111.3	D266 E267 E268	N264-D266 VanDerWaalsContact C-N 3.26Å; N264-D266 PolarHBondContact O-N 3.45Å; N264-D266 PolarHBondContact OD1-N 3.34Å; N264-E267 HydrophobicContact CB-CB 4.28Å; N264-E267 WeakPolarHBondContact ND2-CG 3.41Å; N264-E267 PolarHBondContact ND2-OE1 3.2Å; N264-E267 VanDerWaalsContact ND2-OE1 3.15Å; N264-E267 PolarHBondContact ND2-OE2 2.83Å; N264-E267 PolarHBondContact O-N 3.28Å; N264-E268 PolarHBondContact O-N 2.82Å; N264-E268 VanDerWaalsContact O-N 3.1Å
265	F	91.9	Very high	91.6	Very high	42 Å²	42	40.6 Å²	40.6	18%	0.184	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-36.2	179	177.7	-96.7	0	0	0	112	L238 F239 W258 E267 G269 Y271	L238-F265 WeakPolarHBondContact O-CB 3.43Å; L238-F265 PolarHBondContact O-N 2.92Å; L238-F265 VanDerWaalsContact O-N 3.15Å; F239-F265 AromaticContact CD2-CD1 3.52Å; F239-F265 HydrophobicContact CD2-CD1 3.52Å; F239-F265 AromaticContact CD2-CE1 3.97Å; F239-F265 HydrophobicContact CD2-CE1 3.97Å; F239-F265 HydrophobicContact CD2-CG 4.37Å; F239-F265 AromaticContact CE2-CD1 3.94Å; F239-F265 HydrophobicContact CE2-CD1 3.94Å; F239-F265 AromaticContact CE2-CE1 3.91Å; F239-F265 HydrophobicContact CE2-CE1 3.91Å; W258-F265 HydrophobicContact CH2-CD1 4.15Å; W258-F265 HydrophobicContact CH2-CD2 4.25Å; W258-F265 HydrophobicContact CH2-CE1 4.2Å; W258-F265 HydrophobicContact CH2-CE2 4.35Å; W258-F265 HydrophobicContact CH2-CG 4.13Å; W258-F265 HydrophobicContact CH2-CZ 4.3Å; W258-F265 AromaticContact CZ3-CD2 3.82Å; W258-F265 HydrophobicContact CZ3-CD2 3.82Å; W258-F265 AromaticContact CZ3-CE2 3.9Å; W258-F265 HydrophobicContact CZ3-CE2 3.9Å; W258-F265 HydrophobicContact CZ3-CG 4.14Å; W258-F265 HydrophobicContact CZ3-CZ 4.24Å; F265-E267 PolarHBondContact O-N 3.1Å; F265-G269 VanDerWaalsContact O-CA 3.32Å; F265-G269 WeakPolarHBondContact O-CA 3.41Å; F265-G269 PolarHBondContact O-N 3.42Å; F265-Y271 HydrophobicContact CE2-CD1 4.03Å; F265-Y271 HydrophobicContact CE2-CG 4.18Å
266	D	88.9	Confident	92.1	Very high	90 Å²	90	40.3 Å²	40.3	48%	0.481	19%	0.193	S	C	.	.	H	α-helix	trans	-66.8	-19.6	-176.4	-62.6	-36.1	0	0	0	112.5	M240 N264	M240-D266 PolarHBondContact N-OD2 2.93Å; M240-D266 VanDerWaalsContact N-OD2 3.11Å; N264-D266 VanDerWaalsContact C-N 3.26Å; N264-D266 PolarHBondContact O-N 3.45Å; N264-D266 PolarHBondContact OD1-N 3.34Å
267	E	89.5	Confident	92.1	Very high	155 Å²	155	38.7 Å²	38.7	72%	0.724	19%	0.187	S	C	*	.	H	α-helix	trans	-97.9	-45.2	175.7	-73.3	176.5	-178.1	0	0	113.1	N264 F265	N264-E267 HydrophobicContact CB-CB 4.28Å; N264-E267 WeakPolarHBondContact ND2-CG 3.41Å; N264-E267 PolarHBondContact ND2-OE1 3.2Å; N264-E267 VanDerWaalsContact ND2-OE1 3.15Å; N264-E267 PolarHBondContact ND2-OE2 2.83Å; N264-E267 PolarHBondContact O-N 3.28Å; F265-E267 PolarHBondContact O-N 3.1Å
268	E	91.6	Very high	91.9	Very high	111 Å²	111	42.9 Å²	42.9	52%	0.519	21%	0.208	S	C	.	.	H	α-helix	trans	-97.3	-29.5	-171.1	-64.3	-167.7	-132.5	0	0	114	T262 N264 K270	T262-E268 HydrophobicContact CG2-CB 4.17Å; T262-E268 HydrophobicContact CG2-CG 4.45Å; T262-E268 WeakPolarHBondContact CG2-OE2 3.32Å; N264-E268 PolarHBondContact O-N 2.82Å; N264-E268 VanDerWaalsContact O-N 3.1Å; E268-K270 PolarHBondContact O-N 2.89Å
269	G	91.2	Very high	91.6	Very high	25 Å²	25	44.1 Å²	44.1	26%	0.258	22%	0.216	S	C	.	.			trans	64.3	17.4	176.3	0	0	0	0	0	115.9	N227 F265	N227-G269 PolarHBondContact ND2-O 2.73Å; F265-G269 VanDerWaalsContact O-CA 3.32Å; F265-G269 WeakPolarHBondContact O-CA 3.41Å; F265-G269 PolarHBondContact O-N 3.42Å
270	K	95.3	Very high	91.5	Very high	80 Å²	80	44.8 Å²	44.8	35%	0.348	22%	0.219	S	C	.	.			trans	-86.8	126.5	176.8	-67.8	-170.3	177.7	-172.8	0	111.9	N227 A228 E231 S260 T261 T262 E268	N227-K270 WeakPolarHBondContact OD1-CA 3.22Å; A228-K270 HydrophobicContact CB-CB 4.34Å; E231-K270 IonicContact OE1-NZ 2.79Å; S260-K270 WeakPolarHBondContact CA-O 3.5Å; S260-K270 PolarHBondContact OG-O 3.06Å; T261-K270 PolarHBondContact N-O 3.2Å; T261-K270 VanDerWaalsContact N-O 3.16Å; T261-K270 VanDerWaalsContact OG1-CB 3.31Å; T261-K270 WeakPolarHBondContact OG1-CB 3.47Å; T262-K270 HydrophobicContact CG2-CB 4.14Å; T262-K270 HydrophobicContact CG2-CD 3.95Å; T262-K270 HydrophobicContact CG2-CG 4.41Å; E268-K270 PolarHBondContact O-N 2.89Å
271	Y	95.5	Very high	91.4	Very high	66 Å²	66	45 Å²	45	26%	0.259	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	165.2	-179.6	77.8	-75.3	0	0	0	112.4	N227 A228 W258 C259 F265 F273	N227-Y271 PolarHBondContact N-O 3.23Å; N227-Y271 PolarHBondContact OD1-N 3.36Å; N227-Y271 PolarHBondContact OD1-O 2.83Å; A228-Y271 PolarHBondContact N-O 2.95Å; W258-Y271 HydrophobicContact CE3-CD2 4.37Å; W258-Y271 HydrophobicContact CE3-CG 4.42Å; C259-Y271 VanDerWaalsContact O-CA 3.31Å; C259-Y271 WeakPolarHBondContact O-CA 3.36Å; C259-Y271 VanDerWaalsContact O-CB 3.29Å; C259-Y271 WeakPolarHBondContact O-CB 3.32Å; F265-Y271 HydrophobicContact CE2-CD1 4.03Å; F265-Y271 HydrophobicContact CE2-CG 4.18Å; Y271-F273 HydrophobicContact CE2-CE2 4.14Å; Y271-F273 HydrophobicContact CE2-CZ 4.21Å
272	G	95.3	Very high	91.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	179.5	162.6	0	0	0	0	0	111.4	W258 C259	W258-G272 WeakPolarHBondContact CA-O 3.34Å; W258-G272 WeakPolarHBondContact CB-O 3.26Å; C259-G272 PolarHBondContact N-O 2.81Å; C259-G272 PolarHBondContact O-N 2.92Å
273	F	93.8	Very high	91	Very high	30 Å²	30	48 Å²	48	13%	0.132	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.1	-177	-63.6	-86.5	0	0	0	110.6	K224 F225 R252 F256 L257 W258 Y271 F280	K224-F273 PolarHBondContact N-O 3.43Å; K224-F273 WeakPolarHBondContact O-CB 3.17Å; K224-F273 PolarHBondContact O-N 2.99Å; F225-F273 HydrophobicContact CB-CD2 4Å; R252-F273 VanDerWaalsContact CZ-CE1 3.46Å; F256-F273 HydrophobicContact CB-CD1 3.89Å; F256-F273 HydrophobicContact CB-CE1 3.96Å; F256-F273 HydrophobicContact CD1-CD1 4.29Å; F256-F273 HydrophobicContact CG-CD1 4.44Å; L257-F273 WeakPolarHBondContact O-CA 3.24Å; W258-F273 HydrophobicContact CB-CD1 4.4Å; Y271-F273 HydrophobicContact CE2-CE2 4.14Å; Y271-F273 HydrophobicContact CE2-CZ 4.21Å; F273-F280 HydrophobicContact CB-CE1 4.46Å
274	C	92.6	Very high	91	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-82.8	130.5	179	-60.4	0	0	0	0	110.1	V221 C247 L257 H276 F280 A336	V221-C274 HydrophobicContact CG1-CB 4.04Å; C247-C274 HydrophobicContact CB-CB 3.61Å; C247-C274 WeakPolarHBondContact CB-SG 3.38Å; C247-C274 WeakPolarHBondContact SG-CB 3.34Å; C247-C274 CovalentContact SG-SG 2.02Å; C247-C274 PolarHBondContact SG-SG 3.01Å; L257-C274 HydrophobicContact CB-CB 3.99Å; L257-C274 PolarHBondContact O-N 3.32Å; C274-H276 PolarHBondContact O-N 3.25Å; C274-F280 WeakPolarHBondContact O-CE1 3.32Å; C274-A336 HydrophobicContact CB-CB 3.61Å
275	P	91.4	Very high	91.1	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.019	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-56.8	127.8	176.2	-27.5	37.3	0	0	0	112.4	K222 K224 F280 E334 A336	K222-P275 WeakPolarHBondContact O-CD 3.04Å; K224-P275 HydrophobicContact CG-CG 3.72Å; P275-F280 HydrophobicContact CB-CZ 4.47Å; P275-E334 HydrophobicContact CB-CB 4.03Å; P275-E334 HydrophobicContact CB-CG 4.46Å; P275-E334 WeakPolarHBondContact CB-O 3.21Å; P275-E334 HydrophobicContact CG-CB 4.2Å; P275-E334 HydrophobicContact CG-CG 4.44Å; P275-A336 VanDerWaalsContact O-CB 3.28Å; P275-A336 WeakPolarHBondContact O-CB 3.47Å; P275-A336 PolarHBondContact O-N 3.09Å
276	H	89.1	Confident	90.9	Very high	31 Å²	31	47.6 Å²	47.6	14%	0.144	26%	0.263	C	S	.	.			trans	-157.2	127.4	166.6	-166.8	-18.4	0	0	0	108.8	C274 L278 L279 F280	C274-H276 PolarHBondContact O-N 3.25Å; H276-L278 PolarHBondContact ND1-N 2.71Å; H276-L278 PolarHBondContact O-N 2.61Å; H276-L278 VanDerWaalsContact O-N 3.14Å; H276-L279 HydrophobicContact CB-CD1 4.07Å; H276-L279 HydrophobicContact CB-CG 4.18Å; H276-L279 WeakPolarHBondContact O-CB 3.44Å; H276-L279 PolarHBondContact O-N 3.28Å; H276-F280 PolarHBondContact O-N 2.91Å
277	E	86.4	Confident	91	Very high	30 Å²	30	52.7 Å²	52.7	14%	0.14	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.5	-178.3	64.4	-95	-133.9	0	0	114.5	L279 C291 F293 C332 T335	E277-L279 VanDerWaalsContact C-N 3.28Å; E277-C291 HydrophobicContact CB-CB 4.36Å; E277-C291 VanDerWaalsContact CB-SG 3.55Å; E277-C291 PolarHBondContact O-N 2.91Å; E277-F293 HydrophobicContact CG-CE2 3.82Å; E277-F293 HydrophobicContact CG-CZ 4.03Å; E277-C332 HydrophobicContact CB-CB 4.31Å; E277-T335 PolarHBondContact OE1-OG1 2.9Å; E277-T335 WeakPolarHBondContact OE2-CG2 3.07Å; E277-T335 PolarHBondContact OE2-OG1 3.37Å
278	L	86	Confident	90.9	Very high	100 Å²	100	46.8 Å²	46.8	52%	0.524	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-15.5	174.9	-65.4	179.5	0	0	0	113.3	H276 P290 F293	H276-L278 PolarHBondContact ND1-N 2.71Å; H276-L278 PolarHBondContact O-N 2.61Å; H276-L278 VanDerWaalsContact O-N 3.14Å; L278-P290 VanDerWaalsContact O-CB 3.3Å; L278-P290 WeakPolarHBondContact O-CB 3.2Å; L278-F293 HydrophobicContact CD2-CD2 3.62Å; L278-F293 HydrophobicContact CD2-CE2 3.81Å
279	L	86.9	Confident	91	Very high	36 Å²	36	43.3 Å²	43.3	19%	0.188	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-49.6	-178.6	-60.7	178.6	0	0	0	111.4	F256 L257 H276 E277	F256-L279 HydrophobicContact CD1-CB 4.11Å; F256-L279 HydrophobicContact CD1-CD1 4.38Å; F256-L279 HydrophobicContact CE1-CB 3.97Å; L257-L279 HydrophobicContact CB-CD1 3.98Å; L257-L279 HydrophobicContact CD1-CD1 4.21Å; L257-L279 HydrophobicContact CG-CD1 3.87Å; H276-L279 HydrophobicContact CB-CD1 4.07Å; H276-L279 HydrophobicContact CB-CG 4.18Å; H276-L279 WeakPolarHBondContact O-CB 3.44Å; H276-L279 PolarHBondContact O-N 3.28Å; E277-L279 VanDerWaalsContact C-N 3.28Å
280	F	90.7	Very high	91.1	Very high	15 Å²	15	44.8 Å²	44.8	7%	0.066	26%	0.26	C	S	.	.			trans	-157.6	160.3	179.2	67.1	-84.8	0	0	0	111.3	K224 F225 F256 F273 C274 P275 H276 L282 G288	K224-F280 HydrophobicContact CB-CE2 4.19Å; K224-F280 HydrophobicContact CB-CZ 4.02Å; K224-F280 HydrophobicContact CG-CE2 4.3Å; K224-F280 HydrophobicContact CG-CZ 4.21Å; F225-F280 AromaticContact CE2-CD2 3.97Å; F225-F280 HydrophobicContact CE2-CD2 3.97Å; F225-F280 AromaticContact CE2-CE2 3.8Å; F225-F280 HydrophobicContact CE2-CE2 3.8Å; F225-F280 HydrophobicContact CE2-CZ 4.26Å; F256-F280 HydrophobicContact CD1-CD1 4.27Å; F256-F280 HydrophobicContact CE1-CB 4.41Å; F256-F280 AromaticContact CE1-CD1 3.89Å; F256-F280 HydrophobicContact CE1-CD1 3.89Å; F273-F280 HydrophobicContact CB-CE1 4.46Å; C274-F280 WeakPolarHBondContact O-CE1 3.32Å; P275-F280 HydrophobicContact CB-CZ 4.47Å; H276-F280 PolarHBondContact O-N 2.91Å; F280-L282 HydrophobicContact CD2-CD2 4.32Å; F280-L282 HydrophobicContact CD2-CG 4.38Å; F280-L282 HydrophobicContact CE2-CD1 4.44Å; F280-L282 HydrophobicContact CE2-CD2 4.02Å; F280-L282 HydrophobicContact CE2-CG 4.08Å; F280-G288 WeakPolarHBondContact CA-O 3.5Å; F280-G288 WeakPolarHBondContact CB-O 3.46Å
281	T	92.6	Very high	90.9	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.025	25%	0.247	C	C	.	.			trans	-114.9	164.6	171.4	56.2	0	0	0	0	110.9	G288 A289 C291	T281-G288 PolarHBondContact N-O 2.79Å; T281-G288 WeakPolarHBondContact O-CA 3.39Å; T281-A289 WeakPolarHBondContact CB-O 3.32Å; T281-A289 VanDerWaalsContact CG2-O 3.27Å; T281-A289 WeakPolarHBondContact CG2-O 3.38Å; T281-A289 PolarHBondContact N-O 3.24Å; T281-A289 PolarHBondContact OG1-O 3.13Å; T281-C291 WeakPolarHBondContact CG2-SG 3.47Å
282	L	89.7	Confident	90.8	Very high	39 Å²	39	42.4 Å²	42.4	20%	0.204	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-113.2	143.6	177.8	-70.6	170	0	0	0	111.2	K224 F225 F280 F331 P333	K224-L282 HydrophobicContact CD-CD1 3.96Å; K224-L282 HydrophobicContact CG-CD1 4.15Å; F225-L282 HydrophobicContact CZ-CD2 4.33Å; F280-L282 HydrophobicContact CD2-CD2 4.32Å; F280-L282 HydrophobicContact CD2-CG 4.38Å; F280-L282 HydrophobicContact CE2-CD1 4.44Å; F280-L282 HydrophobicContact CE2-CD2 4.02Å; F280-L282 HydrophobicContact CE2-CG 4.08Å; L282-F331 PolarHBondContact N-O 3.12Å; L282-F331 WeakPolarHBondContact O-CB 3.33Å; L282-F331 WeakPolarHBondContact O-CD2 3.31Å; L282-F331 PolarHBondContact O-N 3.41Å; L282-P333 HydrophobicContact CB-CG 4.33Å; L282-P333 HydrophobicContact CD1-CG 3.47Å; L282-P333 VanDerWaalsContact CD1-CG 3.47Å; L282-P333 HydrophobicContact CG-CG 4.42Å
283	G	90.3	Very high	90.6	Very high	56 Å²	56	44.7 Å²	44.7	58%	0.577	26%	0.262	S	S	*	.	S	Bend	trans	60.6	-143.4	-179.5	0	0	0	0	0	113.4
284	G	91.2	Very high	90.5	Very high	36 Å²	36	46.4 Å²	46.4	37%	0.371	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	-154	-178.5	0	0	0	0	0	113.4
285	N	93.1	Very high	90.6	Very high	84 Å²	84	46.4 Å²	46.4	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	9.1	175.7	67.2	-6.1	0	0	0	112.7	E287 K327 S328 Y329	N285-E287 PolarHBondContact O-N 2.94Å; N285-K327 PolarHBondContact ND2-O 3.47Å; N285-K327 PolarHBondContact OD1-O 2.94Å; N285-S328 WeakPolarHBondContact OD1-CA 3.14Å; N285-Y329 PolarHBondContact N-O 2.76Å; N285-Y329 WeakPolarHBondContact OD1-CD1 3.3Å; N285-Y329 PolarHBondContact OD1-N 3.43Å; N285-Y329 PolarHBondContact OD1-O 3.46Å
286	G	87.8	Confident	90.6	Very high	9 Å²	9	48.5 Å²	48.5	9%	0.093	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.8	174.4	0	0	0	0	0	114.4	G288 A289 Y329	G286-G288 PolarHBondContact O-N 3.03Å; G286-G288 VanDerWaalsContact O-N 3.12Å; G286-A289 WeakPolarHBondContact O-CB 3.42Å; G286-A289 PolarHBondContact O-N 2.79Å; G286-Y329 PolarHBondContact N-O 3.46Å
287	E	90.8	Very high	90.9	Very high	196 Å²	196	47.6 Å²	47.6	92%	0.916	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.8	177	-59.3	-172	163.2	0	0	114.1	N285 A289	N285-E287 PolarHBondContact O-N 2.94Å; E287-A289 VanDerWaalsContact C-N 3.34Å
288	G	88.5	Confident	91.1	Very high	32 Å²	32	52.9 Å²	52.9	33%	0.33	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	6.3	-179.5	0	0	0	0	0	115	F280 T281 G286	F280-G288 WeakPolarHBondContact CA-O 3.5Å; F280-G288 WeakPolarHBondContact CB-O 3.46Å; T281-G288 PolarHBondContact N-O 2.79Å; T281-G288 WeakPolarHBondContact O-CA 3.39Å; G286-G288 PolarHBondContact O-N 3.03Å; G286-G288 VanDerWaalsContact O-N 3.12Å
289	A	92.4	Very high	91.2	Very high	37 Å²	37	51.8 Å²	51.8	31%	0.306	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-59.7	146	173.3	0	0	0	0	0	111.4	T281 G286 E287 T319	T281-A289 WeakPolarHBondContact CB-O 3.32Å; T281-A289 VanDerWaalsContact CG2-O 3.27Å; T281-A289 WeakPolarHBondContact CG2-O 3.38Å; T281-A289 PolarHBondContact N-O 3.24Å; T281-A289 PolarHBondContact OG1-O 3.13Å; G286-A289 WeakPolarHBondContact O-CB 3.42Å; G286-A289 PolarHBondContact O-N 2.79Å; E287-A289 VanDerWaalsContact C-N 3.34Å; A289-T319 HydrophobicContact CB-CG2 3.97Å; A289-T319 WeakPolarHBondContact O-CG2 3.3Å
290	P	93	Very high	91.4	Very high	57 Å²	57	55.7 Å²	55.7	37%	0.37	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-65.1	157.3	175.2	28	-34.9	0	0	0	111.3	L278	L278-P290 VanDerWaalsContact O-CB 3.3Å; L278-P290 WeakPolarHBondContact O-CB 3.2Å
291	C	92.6	Very high	91.5	Very high	11 Å²	11	58.6 Å²	58.6	7%	0.074	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-62.6	143.5	170.9	-60.7	0	0	0	0	110.9	E277 T281 F293 C317 A318 C332	E277-C291 HydrophobicContact CB-CB 4.36Å; E277-C291 VanDerWaalsContact CB-SG 3.55Å; E277-C291 PolarHBondContact O-N 2.91Å; T281-C291 WeakPolarHBondContact CG2-SG 3.47Å; C291-F293 HydrophobicContact CB-CD2 4.26Å; C291-F293 HydrophobicContact CB-CE1 3.95Å; C291-F293 HydrophobicContact CB-CE2 3.59Å; C291-F293 HydrophobicContact CB-CZ 3.41Å; C291-F293 VanDerWaalsContact CB-CZ 3.41Å; C291-C317 VanDerWaalsContact CA-SG 3.51Å; C291-C317 HydrophobicContact CB-CB 3.67Å; C291-C317 WeakPolarHBondContact CB-SG 3.2Å; C291-C317 WeakPolarHBondContact SG-CB 3.39Å; C291-C317 CovalentContact SG-SG 1.99Å; C291-C317 PolarHBondContact SG-SG 3.39Å; C291-A318 WeakPolarHBondContact CA-O 3.02Å; C291-C332 VanDerWaalsContact SG-SG 3.67Å
292	K	93.6	Very high	91.3	Very high	85 Å²	85	59.9 Å²	59.9	37%	0.37	37%	0.368	S	S	.	.			trans	-103.1	105.8	174.6	-179.8	59.2	175.5	177.5	0	108.7	P294 F295 A318 E321	K292-P294 CarbonylContact O-C 3.23Å; K292-P294 VanDerWaalsContact O-C 3.23Å; K292-F295 WeakPolarHBondContact O-CB 3.35Å; K292-F295 PolarHBondContact O-N 3.39Å; K292-A318 PolarHBondContact N-O 2.97Å; K292-E321 HydrophobicContact CD-CG 4.15Å; K292-E321 WeakPolarHBondContact CE-OE1 3.29Å; K292-E321 HydrophobicContact CG-CB 4.47Å; K292-E321 HydrophobicContact CG-CG 3.68Å; K292-E321 IonicContact NZ-OE1 3.32Å; K292-E321 PolarHBondContact NZ-OE1 3.05Å
293	F	89.5	Confident	91.2	Very high	48 Å²	48	63.4 Å²	63.4	21%	0.211	39%	0.387	C	S	.	.	S	Bend	trans	-102.4	139.4	175.7	-59.2	-56.4	0	0	0	112.1	E277 L278 C291 F295 D303 C317	E277-F293 HydrophobicContact CG-CE2 3.82Å; E277-F293 HydrophobicContact CG-CZ 4.03Å; L278-F293 HydrophobicContact CD2-CD2 3.62Å; L278-F293 HydrophobicContact CD2-CE2 3.81Å; C291-F293 HydrophobicContact CB-CD2 4.26Å; C291-F293 HydrophobicContact CB-CE1 3.95Å; C291-F293 HydrophobicContact CB-CE2 3.59Å; C291-F293 HydrophobicContact CB-CZ 3.41Å; C291-F293 VanDerWaalsContact CB-CZ 3.41Å; F293-F295 AromaticContact CD1-CD1 3.99Å; F293-F295 HydrophobicContact CD1-CD1 3.99Å; F293-F295 HydrophobicContact CD1-CE1 4.25Å; F293-F295 HydrophobicContact CE1-CD1 4.07Å; F293-F295 AromaticContact CE1-CE1 3.92Å; F293-F295 HydrophobicContact CE1-CE1 3.92Å; F293-D303 WeakPolarHBondContact CD1-O 3.41Å; F293-D303 WeakPolarHBondContact CG-O 3.4Å; F293-C317 HydrophobicContact CE1-CB 4.25Å; F293-C317 HydrophobicContact CZ-CB 4.41Å
294	P	92.3	Very high	91	Very high	66 Å²	66	64.1 Å²	64.1	43%	0.429	38%	0.383	S	S	.	.	S	Bend	cis	-64.4	154	-18.4	19.7	-27.4	0	0	0	112.7	K292 S301 Y302 D303	K292-P294 CarbonylContact O-C 3.23Å; K292-P294 VanDerWaalsContact O-C 3.23Å; P294-S301 VanDerWaalsContact CB-OG 3.24Å; P294-S301 WeakPolarHBondContact CB-OG 3.23Å; P294-Y302 CarbonylContact C-O 3.6Å; P294-Y302 VanDerWaalsContact CA-O 3.26Å; P294-Y302 WeakPolarHBondContact CA-O 3.2Å; P294-D303 WeakPolarHBondContact CA-OD1 3.05Å; P294-D303 WeakPolarHBondContact CB-OD1 3.33Å
295	F	93.9	Very high	90.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.3	164.1	69.2	-87.9	0	0	0	112.5	K292 F293 F297 S301 Y302 T306 W316 C317 A318 T320 E321	K292-F295 WeakPolarHBondContact O-CB 3.35Å; K292-F295 PolarHBondContact O-N 3.39Å; F293-F295 AromaticContact CD1-CD1 3.99Å; F293-F295 HydrophobicContact CD1-CD1 3.99Å; F293-F295 HydrophobicContact CD1-CE1 4.25Å; F293-F295 HydrophobicContact CE1-CD1 4.07Å; F293-F295 AromaticContact CE1-CE1 3.92Å; F293-F295 HydrophobicContact CE1-CE1 3.92Å; F295-F297 HydrophobicContact CD2-CB 4.37Å; F295-F297 HydrophobicContact CE2-CB 4.1Å; F295-S301 CarbonylContact O-C 3.58Å; F295-S301 WeakPolarHBondContact O-CA 3.2Å; F295-Y302 HydrophobicContact CD2-CD2 4.45Å; F295-Y302 AromaticContact CE2-CD2 3.93Å; F295-Y302 HydrophobicContact CE2-CD2 3.93Å; F295-Y302 HydrophobicContact CE2-CG 4.19Å; F295-Y302 HydrophobicContact CZ-CD2 4.22Å; F295-Y302 HydrophobicContact CZ-CG 4Å; F295-Y302 PolarHBondContact N-O 2.97Å; F295-Y302 PolarHBondContact O-N 3.2Å; F295-T306 HydrophobicContact CZ-CG2 4.09Å; F295-W316 HydrophobicContact CE2-CH2 4.15Å; F295-W316 HydrophobicContact CE2-CZ3 4.18Å; F295-C317 HydrophobicContact CD1-CB 4.45Å; F295-C317 HydrophobicContact CE1-CB 3.86Å; F295-C317 HydrophobicContact CZ-CB 4.36Å; F295-A318 HydrophobicContact CB-CB 3.56Å; F295-A318 HydrophobicContact CD1-CB 4.22Å; F295-A318 HydrophobicContact CD2-CB 3.47Å; F295-A318 VanDerWaalsContact CD2-CB 3.47Å; F295-A318 HydrophobicContact CE2-CB 4.18Å; F295-A318 HydrophobicContact CG-CB 3.49Å; F295-A318 VanDerWaalsContact CG-CB 3.49Å; F295-T320 WeakPolarHBondContact CB-O 3.41Å; F295-E321 CarbonylContact C-O 3.58Å; F295-E321 WeakPolarHBondContact CA-O 3.42Å
296	S	93.1	Very high	90.8	Very high	46 Å²	46	60.1 Å²	60.1	32%	0.322	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.3	177.7	-55.7	0	0	0	0	112	E300 E321 Y323	S296-E300 CarbonylContact C-O 3.26Å; S296-E300 VanDerWaalsContact CA-O 3.31Å; S296-E300 WeakPolarHBondContact CA-O 3.17Å; S296-E321 PolarHBondContact N-O 2.93Å; S296-Y323 WeakPolarHBondContact O-CB 3.28Å; S296-Y323 PolarHBondContact O-N 3.16Å
297	F	94.1	Very high	90.9	Very high	13 Å²	13	62.8 Å²	62.8	6%	0.057	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	124.5	172.1	171.9	-124.4	0	0	0	110.8	F295 G299 E300 Y302 Q308 W316 Y323	F295-F297 HydrophobicContact CD2-CB 4.37Å; F295-F297 HydrophobicContact CE2-CB 4.1Å; F297-G299 PolarHBondContact O-N 2.8Å; F297-G299 VanDerWaalsContact O-N 3.1Å; F297-E300 PolarHBondContact N-O 2.95Å; F297-E300 PolarHBondContact O-N 2.6Å; F297-Y302 HydrophobicContact CB-CD2 4.06Å; F297-Y302 HydrophobicContact CB-CE2 3.8Å; F297-Y302 HydrophobicContact CD1-CE2 4.02Å; F297-Y302 HydrophobicContact CG-CE2 4.41Å; F297-Q308 HydrophobicContact CD1-CG 4.31Å; F297-Q308 HydrophobicContact CE1-CB 4.21Å; F297-Q308 HydrophobicContact CE1-CG 3.89Å; F297-W316 HydrophobicContact CB-CH2 4.3Å; F297-W316 HydrophobicContact CD1-CH2 4.12Å; F297-W316 AromaticContact CD1-CZ2 3.76Å; F297-W316 HydrophobicContact CD1-CZ2 3.76Å; F297-W316 AromaticContact CD2-CH2 3.96Å; F297-W316 HydrophobicContact CD2-CH2 3.96Å; F297-W316 HydrophobicContact CD2-CZ2 4.24Å; F297-W316 HydrophobicContact CE1-CH2 4.39Å; F297-W316 AromaticContact CE1-CZ2 3.73Å; F297-W316 HydrophobicContact CE1-CZ2 3.73Å; F297-W316 HydrophobicContact CE2-CH2 4.22Å; F297-W316 HydrophobicContact CE2-CZ2 4.19Å; F297-W316 AromaticContact CG-CH2 3.87Å; F297-W316 HydrophobicContact CG-CH2 3.87Å; F297-W316 AromaticContact CG-CZ2 4Å; F297-W316 HydrophobicContact CG-CZ2 4Å; F297-W316 HydrophobicContact CZ-CH2 4.42Å; F297-W316 AromaticContact CZ-CZ2 3.94Å; F297-W316 HydrophobicContact CZ-CZ2 3.94Å; F297-Y323 AromaticContact CD2-CD1 3.4Å; F297-Y323 HydrophobicContact CD2-CD1 3.4Å; F297-Y323 VanDerWaalsContact CD2-CD1 3.4Å; F297-Y323 AromaticContact CD2-CE1 3.74Å; F297-Y323 HydrophobicContact CD2-CE1 3.74Å; F297-Y323 HydrophobicContact CD2-CG 4.35Å; F297-Y323 AromaticContact CE2-CD1 3.86Å; F297-Y323 HydrophobicContact CE2-CD1 3.86Å; F297-Y323 AromaticContact CE2-CE1 3.67Å; F297-Y323 HydrophobicContact CE2-CE1 3.67Å; F297-Y323 HydrophobicContact CG-CD1 4.35Å
298	Q	91.8	Very high	90.9	Very high	141 Å²	141	58 Å²	58	66%	0.659	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	30.2	-178.2	-63.8	-175.4	6.2	0	0	114.6	D324	Q298-D324 WeakPolarHBondContact CA-OD2 3.49Å; Q298-D324 PolarHBondContact N-OD1 3.25Å; Q298-D324 PolarHBondContact N-OD2 3.07Å
299	G	87.9	Confident	90.8	Very high	76 Å²	76	59.6 Å²	59.6	78%	0.784	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	3.1	-179.3	0	0	0	0	0	115.2	F297	F297-G299 PolarHBondContact O-N 2.8Å; F297-G299 VanDerWaalsContact O-N 3.1Å
300	E	91.2	Very high	90.6	Very high	119 Å²	119	62.3 Å²	62.3	56%	0.556	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	150.3	169.1	-65.7	-169.7	156.5	0	0	110.8	S296 F297 Y302	S296-E300 CarbonylContact C-O 3.26Å; S296-E300 VanDerWaalsContact CA-O 3.31Å; S296-E300 WeakPolarHBondContact CA-O 3.17Å; F297-E300 PolarHBondContact N-O 2.95Å; F297-E300 PolarHBondContact O-N 2.6Å; E300-Y302 HydrophobicContact CB-CE2 3.7Å; E300-Y302 PolarHBondContact OE2-OH 3.14Å
301	S	92.1	Very high	90.2	Very high	75 Å²	75	64.6 Å²	64.6	52%	0.524	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.9	177.3	-176.8	0	0	0	0	109.2	P294 F295	P294-S301 VanDerWaalsContact CB-OG 3.24Å; P294-S301 WeakPolarHBondContact CB-OG 3.23Å; F295-S301 CarbonylContact O-C 3.58Å; F295-S301 WeakPolarHBondContact O-CA 3.2Å
302	Y	89.1	Confident	89.7	Confident	32 Å²	32	65.7 Å²	65.7	13%	0.125	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.8	-178.4	-64.1	-90	0	0	0	110	P294 F295 F297 E300 T306 Q308	P294-Y302 CarbonylContact C-O 3.6Å; P294-Y302 VanDerWaalsContact CA-O 3.26Å; P294-Y302 WeakPolarHBondContact CA-O 3.2Å; F295-Y302 HydrophobicContact CD2-CD2 4.45Å; F295-Y302 AromaticContact CE2-CD2 3.93Å; F295-Y302 HydrophobicContact CE2-CD2 3.93Å; F295-Y302 HydrophobicContact CE2-CG 4.19Å; F295-Y302 HydrophobicContact CZ-CD2 4.22Å; F295-Y302 HydrophobicContact CZ-CG 4Å; F295-Y302 PolarHBondContact N-O 2.97Å; F295-Y302 PolarHBondContact O-N 3.2Å; F297-Y302 HydrophobicContact CB-CD2 4.06Å; F297-Y302 HydrophobicContact CB-CE2 3.8Å; F297-Y302 HydrophobicContact CD1-CE2 4.02Å; F297-Y302 HydrophobicContact CG-CE2 4.41Å; E300-Y302 HydrophobicContact CB-CE2 3.7Å; E300-Y302 PolarHBondContact OE2-OH 3.14Å; Y302-T306 HydrophobicContact CD1-CG2 3.98Å; Y302-T306 HydrophobicContact CE1-CG2 4.12Å; Y302-T306 HydrophobicContact CG-CG2 4.32Å; Y302-Q308 HydrophobicContact CE1-CB 4.48Å
303	D	86.3	Confident	89.3	Confident	113 Å²	113	61.9 Å²	61.9	60%	0.604	37%	0.365	S	S	*	.	S	Bend	trans	-98.3	3.4	177	-74.7	-53.5	0	0	0	113	F293 P294	F293-D303 WeakPolarHBondContact CD1-O 3.41Å; F293-D303 WeakPolarHBondContact CG-O 3.4Å; P294-D303 WeakPolarHBondContact CA-OD1 3.05Å; P294-D303 WeakPolarHBondContact CB-OD1 3.33Å
304	S	86.9	Confident	89.2	Confident	70 Å²	70	62.4 Å²	62.4	49%	0.49	37%	0.366	S	S	.	.	S	Bend	trans	-147.5	170.4	177.1	63.4	0	0	0	0	110.5
305	C	89.8	Confident	89.2	Confident	15 Å²	15	60.8 Å²	60.8	10%	0.101	35%	0.352	C	S	.	.			trans	-65.4	141.3	173.1	-54	0	0	0	0	110.4	R315 W316 C317 C332	C305-R315 HydrophobicContact CB-CB 3.97Å; C305-W316 CarbonylContact C-O 3.57Å; C305-W316 WeakPolarHBondContact CA-O 3.25Å; C305-C317 HydrophobicContact CB-CB 4.46Å; C305-C332 HydrophobicContact CB-CB 3.64Å; C305-C332 WeakPolarHBondContact CB-SG 3.48Å; C305-C332 WeakPolarHBondContact SG-CB 3.45Å; C305-C332 CovalentContact SG-SG 2.05Å; C305-C332 PolarHBondContact SG-SG 3.42Å
306	T	89.6	Confident	89.2	Confident	22 Å²	22	61.1 Å²	61.1	14%	0.135	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-123.9	158.2	-175.2	-173.3	0	0	0	0	111.2	F295 Y302 Q308 R315 W316	F295-T306 HydrophobicContact CZ-CG2 4.09Å; Y302-T306 HydrophobicContact CD1-CG2 3.98Å; Y302-T306 HydrophobicContact CE1-CG2 4.12Å; Y302-T306 HydrophobicContact CG-CG2 4.32Å; T306-Q308 HydrophobicContact CG2-CB 4.1Å; T306-Q308 WeakPolarHBondContact OG1-CB 3.47Å; T306-Q308 PolarHBondContact OG1-N 3.02Å; T306-Q308 VanDerWaalsContact OG1-N 3.11Å; T306-R315 WeakPolarHBondContact O-CA 2.95Å; T306-W316 HydrophobicContact CG2-CZ2 4.33Å; T306-W316 PolarHBondContact N-O 3.06Å; T306-W316 PolarHBondContact O-N 3.16Å
307	T	90.1	Very high	89.3	Confident	64 Å²	64	59 Å²	59	39%	0.393	34%	0.338	S	S	.	.			trans	-98.8	1	168.3	56.2	0	0	0	0	111.8	G309 R310 G313 R315	T307-G309 PolarHBondContact O-N 3.35Å; T307-R310 WeakPolarHBondContact O-CB 3.18Å; T307-R310 PolarHBondContact O-N 3.27Å; T307-G313 WeakPolarHBondContact CG2-O 3.19Å; T307-R315 HydrophobicContact CG2-CG 3.98Å
308	Q	90.6	Very high	89.3	Confident	95 Å²	95	58.3 Å²	58.3	44%	0.444	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131.3	-176.4	-172.3	65.8	10.3	0	0	111.5	F297 Y302 T306 R310 W316	F297-Q308 HydrophobicContact CD1-CG 4.31Å; F297-Q308 HydrophobicContact CE1-CB 4.21Å; F297-Q308 HydrophobicContact CE1-CG 3.89Å; Y302-Q308 HydrophobicContact CE1-CB 4.48Å; T306-Q308 HydrophobicContact CG2-CB 4.1Å; T306-Q308 WeakPolarHBondContact OG1-CB 3.47Å; T306-Q308 PolarHBondContact OG1-N 3.02Å; T306-Q308 VanDerWaalsContact OG1-N 3.11Å; Q308-R310 VanDerWaalsContact C-N 3.32Å; Q308-W316 PolarHBondContact O-NE1 2.86Å
309	G	86.4	Confident	89.4	Confident	67 Å²	67	52.7 Å²	52.7	69%	0.691	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	7.3	-177.9	0	0	0	0	0	114.8	T307	T307-G309 PolarHBondContact O-N 3.35Å
310	R	88.6	Confident	89.7	Confident	93 Å²	93	50.8 Å²	50.8	35%	0.351	28%	0.283	S	S	.	.			trans	-121.7	153.1	174.8	-52.9	-164.2	69	84.1	3.6	111.9	T307 Q308 D312 Y314	T307-R310 WeakPolarHBondContact O-CB 3.18Å; T307-R310 PolarHBondContact O-N 3.27Å; Q308-R310 VanDerWaalsContact C-N 3.32Å; R310-D312 WeakPolarHBondContact CB-OD1 3.46Å; R310-D312 IonicContact CZ-OD1 2.79Å; R310-D312 IonicContact CZ-OD2 3.84Å; R310-D312 IonicContact NE-OD1 2.71Å; R310-D312 PolarHBondContact NE-OD1 3.14Å; R310-D312 IonicContact NE-OD2 2.67Å; R310-D312 PolarHBondContact NE-OD2 3.41Å; R310-D312 IonicContact NH2-OD1 2.6Å; R310-D312 IonicContact NH2-OD2 2.94Å; R310-D312 PolarHBondContact NH2-OD2 3.17Å; R310-Y314 WeakPolarHBondContact CD-O 3.39Å
311	D	84.5	Confident	89.8	Confident	106 Å²	106	50.6 Å²	50.6	57%	0.567	28%	0.283	S	S	*	.	S	Bend	trans	-116.6	-5.3	179	62.2	-17.8	0	0	0	113.3	R127	R127-D311 PolarHBondContact NH2-O 2.93Å
312	D	82.9	Confident	89.9	Confident	34 Å²	34	49.2 Å²	49.2	18%	0.182	27%	0.269	C	S	.	.	S	Bend	trans	-89.3	-7.7	177	56	19.7	0	0	0	113.6	Y131 R310 Y314	Y131-D312 WeakPolarHBondContact CE2-O 3.28Å; R310-D312 WeakPolarHBondContact CB-OD1 3.46Å; R310-D312 IonicContact CZ-OD1 2.79Å; R310-D312 IonicContact CZ-OD2 3.84Å; R310-D312 IonicContact NE-OD1 2.71Å; R310-D312 PolarHBondContact NE-OD1 3.14Å; R310-D312 IonicContact NE-OD2 2.67Å; R310-D312 PolarHBondContact NE-OD2 3.41Å; R310-D312 IonicContact NH2-OD1 2.6Å; R310-D312 IonicContact NH2-OD2 2.94Å; R310-D312 PolarHBondContact NH2-OD2 3.17Å; D312-Y314 VanDerWaalsContact C-N 3.27Å; D312-Y314 HydrophobicContact CB-CD2 3.86Å; D312-Y314 HydrophobicContact CB-CE2 4.07Å; D312-Y314 HydrophobicContact CB-CG 4.5Å; D312-Y314 PolarHBondContact O-N 2.88Å; D312-Y314 PolarHBondContact OD1-N 3.38Å; D312-Y314 VanDerWaalsContact OD1-N 3.11Å; D312-Y314 VanDerWaalsContact OD2-CD2 3.31Å; D312-Y314 WeakPolarHBondContact OD2-CD2 3.44Å
313	G	84.3	Confident	90	Very high	5 Å²	5	50.4 Å²	50.4	5%	0.052	27%	0.274	C	S	.	.			trans	78.3	4.4	179.1	0	0	0	0	0	114.6	L129 T307	L129-G313 VanDerWaalsContact O-CA 3.26Å; L129-G313 WeakPolarHBondContact O-CA 3.12Å; T307-G313 WeakPolarHBondContact CG2-O 3.19Å
314	Y	88.4	Confident	90.3	Very high	58 Å²	58	48.4 Å²	48.4	23%	0.227	26%	0.263	C	S	.	.			trans	-76.6	129.5	-178.4	-63.7	-40.7	0	0	0	112.2	Y131 E137 R310 D312	Y131-Y314 HydrophobicContact CD2-CD1 4.36Å; Y131-Y314 HydrophobicContact CD2-CE1 4.46Å; Y131-Y314 HydrophobicContact CE2-CD1 4.25Å; Y131-Y314 AromaticContact CE2-CE1 3.97Å; Y131-Y314 HydrophobicContact CE2-CE1 3.97Å; E137-Y314 HydrophobicContact CB-CE1 4.19Å; E137-Y314 HydrophobicContact CG-CD1 3.97Å; E137-Y314 HydrophobicContact CG-CE1 3.74Å; E137-Y314 WeakPolarHBondContact OE1-CD1 3Å; E137-Y314 WeakPolarHBondContact OE1-CE1 3.18Å; E137-Y314 WeakPolarHBondContact OE2-CD1 3.48Å; E137-Y314 WeakPolarHBondContact OE2-CE1 3.42Å; R310-Y314 WeakPolarHBondContact CD-O 3.39Å; D312-Y314 VanDerWaalsContact C-N 3.27Å; D312-Y314 HydrophobicContact CB-CD2 3.86Å; D312-Y314 HydrophobicContact CB-CE2 4.07Å; D312-Y314 HydrophobicContact CB-CG 4.5Å; D312-Y314 PolarHBondContact O-N 2.88Å; D312-Y314 PolarHBondContact OD1-N 3.38Å; D312-Y314 VanDerWaalsContact OD1-N 3.11Å; D312-Y314 VanDerWaalsContact OD2-CD2 3.31Å; D312-Y314 WeakPolarHBondContact OD2-CD2 3.44Å
315	R	91.5	Very high	90.6	Very high	32 Å²	32	52.5 Å²	52.5	12%	0.121	27%	0.268	C	S	.	.			trans	-74.5	134.5	176.1	-66	-169.9	-56.3	-82.5	-16.1	110.3	Y131 T132 P133 C305 T306 T307 F331 C332 P333	Y131-R315 PolarHBondContact O-NH1 3.28Å; T132-R315 PolarHBondContact O-NH1 2.92Å; P133-R315 VanDerWaalsContact CA-CZ 3.42Å; P133-R315 VanDerWaalsContact CA-NH2 3.3Å; C305-R315 HydrophobicContact CB-CB 3.97Å; T306-R315 WeakPolarHBondContact O-CA 2.95Å; T307-R315 HydrophobicContact CG2-CG 3.98Å; R315-F331 WeakPolarHBondContact O-CA 3.32Å; R315-C332 HydrophobicContact CB-CB 4.2Å; R315-C332 PolarHBondContact NE-O 2.71Å; R315-C332 PolarHBondContact NH2-O 3.02Å; R315-C332 PolarHBondContact O-N 3.02Å; R315-P333 VanDerWaalsContact NH2-C 3.34Å; R315-P333 PolarHBondContact NH2-O 3.3Å
316	W	94.3	Very high	90.8	Very high	8 Å²	8	55 Å²	55	3%	0.03	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	159.9	178	74.6	-82.8	0	0	0	111.1	F295 F297 C305 T306 Q308 Y323 Y329 G330 F331	F295-W316 HydrophobicContact CE2-CH2 4.15Å; F295-W316 HydrophobicContact CE2-CZ3 4.18Å; F297-W316 HydrophobicContact CB-CH2 4.3Å; F297-W316 HydrophobicContact CD1-CH2 4.12Å; F297-W316 AromaticContact CD1-CZ2 3.76Å; F297-W316 HydrophobicContact CD1-CZ2 3.76Å; F297-W316 AromaticContact CD2-CH2 3.96Å; F297-W316 HydrophobicContact CD2-CH2 3.96Å; F297-W316 HydrophobicContact CD2-CZ2 4.24Å; F297-W316 HydrophobicContact CE1-CH2 4.39Å; F297-W316 AromaticContact CE1-CZ2 3.73Å; F297-W316 HydrophobicContact CE1-CZ2 3.73Å; F297-W316 HydrophobicContact CE2-CH2 4.22Å; F297-W316 HydrophobicContact CE2-CZ2 4.19Å; F297-W316 AromaticContact CG-CH2 3.87Å; F297-W316 HydrophobicContact CG-CH2 3.87Å; F297-W316 AromaticContact CG-CZ2 4Å; F297-W316 HydrophobicContact CG-CZ2 4Å; F297-W316 HydrophobicContact CZ-CH2 4.42Å; F297-W316 AromaticContact CZ-CZ2 3.94Å; F297-W316 HydrophobicContact CZ-CZ2 3.94Å; C305-W316 CarbonylContact C-O 3.57Å; C305-W316 WeakPolarHBondContact CA-O 3.25Å; T306-W316 HydrophobicContact CG2-CZ2 4.33Å; T306-W316 PolarHBondContact N-O 3.06Å; T306-W316 PolarHBondContact O-N 3.16Å; Q308-W316 PolarHBondContact O-NE1 2.86Å; W316-Y323 AromaticContact CH2-CD1 3.93Å; W316-Y323 HydrophobicContact CH2-CD1 3.93Å; W316-Y323 AromaticContact CH2-CD2 3.92Å; W316-Y323 HydrophobicContact CH2-CD2 3.92Å; W316-Y323 AromaticContact CH2-CE1 3.99Å; W316-Y323 HydrophobicContact CH2-CE1 3.99Å; W316-Y323 HydrophobicContact CH2-CE2 4.02Å; W316-Y323 AromaticContact CH2-CG 3.84Å; W316-Y323 HydrophobicContact CH2-CG 3.84Å; W316-Y323 HydrophobicContact CZ3-CD1 4.38Å; W316-Y323 AromaticContact CZ3-CD2 3.5Å; W316-Y323 HydrophobicContact CZ3-CD2 3.5Å; W316-Y323 HydrophobicContact CZ3-CE1 4.46Å; W316-Y323 AromaticContact CZ3-CE2 3.65Å; W316-Y323 HydrophobicContact CZ3-CE2 3.65Å; W316-Y323 AromaticContact CZ3-CG 3.87Å; W316-Y323 HydrophobicContact CZ3-CG 3.87Å; W316-Y329 HydrophobicContact CE3-CD2 4.45Å; W316-G330 WeakPolarHBondContact CA-O 3.23Å; W316-F331 HydrophobicContact CB-CD1 3.97Å; W316-F331 HydrophobicContact CB-CE1 4.24Å
317	C	94.4	Very high	90.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	161.3	174.9	72.7	0	0	0	0	110.5	C291 F293 F295 C305 Y329 G330	C291-C317 VanDerWaalsContact CA-SG 3.51Å; C291-C317 HydrophobicContact CB-CB 3.67Å; C291-C317 WeakPolarHBondContact CB-SG 3.2Å; C291-C317 WeakPolarHBondContact SG-CB 3.39Å; C291-C317 CovalentContact SG-SG 1.99Å; C291-C317 PolarHBondContact SG-SG 3.39Å; F293-C317 HydrophobicContact CE1-CB 4.25Å; F293-C317 HydrophobicContact CZ-CB 4.41Å; F295-C317 HydrophobicContact CD1-CB 4.45Å; F295-C317 HydrophobicContact CE1-CB 3.86Å; F295-C317 HydrophobicContact CZ-CB 4.36Å; C305-C317 HydrophobicContact CB-CB 4.46Å; C317-Y329 VanDerWaalsContact O-CA 3.26Å; C317-Y329 WeakPolarHBondContact O-CA 3.46Å; C317-Y329 VanDerWaalsContact O-CB 3.29Å; C317-Y329 WeakPolarHBondContact O-CB 3.31Å; C317-G330 PolarHBondContact N-O 3.44Å; C317-G330 PolarHBondContact O-N 3.22Å; C317-G330 VanDerWaalsContact O-N 3.12Å
318	A	95.2	Very high	91.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	144.1	164.7	0	0	0	0	0	110.8	C291 K292 F295 T320 Y323 S328	C291-A318 WeakPolarHBondContact CA-O 3.02Å; K292-A318 PolarHBondContact N-O 2.97Å; F295-A318 HydrophobicContact CB-CB 3.56Å; F295-A318 HydrophobicContact CD1-CB 4.22Å; F295-A318 HydrophobicContact CD2-CB 3.47Å; F295-A318 VanDerWaalsContact CD2-CB 3.47Å; F295-A318 HydrophobicContact CE2-CB 4.18Å; F295-A318 HydrophobicContact CG-CB 3.49Å; F295-A318 VanDerWaalsContact CG-CB 3.49Å; A318-T320 VanDerWaalsContact C-N 3.3Å; A318-T320 WeakPolarHBondContact CB-O 3.44Å; A318-Y323 HydrophobicContact CB-CD2 4.36Å; A318-S328 WeakPolarHBondContact CA-O 3.21Å
319	T	94.1	Very high	91.4	Very high	22 Å²	22	56.9 Å²	56.9	14%	0.135	28%	0.282	C	S	.	.	S	Bend	trans	-91.5	1.9	171.8	54.1	0	0	0	0	111.9	A289 S328	A289-T319 HydrophobicContact CB-CG2 3.97Å; A289-T319 WeakPolarHBondContact O-CG2 3.3Å; T319-S328 PolarHBondContact N-O 3.41Å; T319-S328 VanDerWaalsContact N-O 3.16Å; T319-S328 VanDerWaalsContact OG1-CB 3.23Å; T319-S328 WeakPolarHBondContact OG1-CB 3.41Å; T319-S328 PolarHBondContact OG1-O 3.44Å; T319-S328 PolarHBondContact OG1-OG 2.94Å
320	T	93.7	Very high	91.8	Very high	36 Å²	36	53.7 Å²	53.7	22%	0.221	25%	0.249	C	C	.	.	S	Bend	trans	-130.4	168.1	173.5	70	0	0	0	0	110.7	F295 A318 D322 D326	F295-T320 WeakPolarHBondContact CB-O 3.41Å; A318-T320 VanDerWaalsContact C-N 3.3Å; A318-T320 WeakPolarHBondContact CB-O 3.44Å; T320-D322 PolarHBondContact O-N 3.4Å; T320-D322 PolarHBondContact OG1-O 2.95Å; T320-D326 VanDerWaalsContact CB-OD2 3.25Å; T320-D326 WeakPolarHBondContact CB-OD2 3.37Å; T320-D326 HydrophobicContact CG2-CB 4.03Å; T320-D326 WeakPolarHBondContact OG1-CB 3.39Å; T320-D326 PolarHBondContact OG1-OD2 3.49Å
321	E	93.6	Very high	92.1	Very high	116 Å²	116	51.3 Å²	51.3	54%	0.542	24%	0.241	S	C	.	.	S	Bend	trans	-66.7	-21.2	-177.9	-66.6	177.8	175.1	0	0	113.6	K292 F295 S296	K292-E321 HydrophobicContact CD-CG 4.15Å; K292-E321 WeakPolarHBondContact CE-OE1 3.29Å; K292-E321 HydrophobicContact CG-CB 4.47Å; K292-E321 HydrophobicContact CG-CG 3.68Å; K292-E321 IonicContact NZ-OE1 3.32Å; K292-E321 PolarHBondContact NZ-OE1 3.05Å; F295-E321 CarbonylContact C-O 3.58Å; F295-E321 WeakPolarHBondContact CA-O 3.42Å; S296-E321 PolarHBondContact N-O 2.93Å
322	D	92.9	Very high	92.4	Very high	46 Å²	46	46.5 Å²	46.5	25%	0.246	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-138.9	101	-175.3	-174.6	-23	0	0	0	109.6	T320 D324 R325 D326	T320-D322 PolarHBondContact O-N 3.4Å; T320-D322 PolarHBondContact OG1-O 2.95Å; D322-D324 PolarHBondContact OD1-N 3.23Å; D322-R325 HydrophobicContact CB-CB 4.12Å; D322-R325 PolarHBondContact OD1-N 3.47Å; D322-D326 PolarHBondContact O-N 3.04Å
323	Y	92.8	Very high	92.5	Very high	56 Å²	56	45.5 Å²	45.5	22%	0.22	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-38.9	178.2	173.6	-95.7	0	0	0	111.8	S296 F297 W316 A318 R325 K327 Y329	S296-Y323 WeakPolarHBondContact O-CB 3.28Å; S296-Y323 PolarHBondContact O-N 3.16Å; F297-Y323 AromaticContact CD2-CD1 3.4Å; F297-Y323 HydrophobicContact CD2-CD1 3.4Å; F297-Y323 VanDerWaalsContact CD2-CD1 3.4Å; F297-Y323 AromaticContact CD2-CE1 3.74Å; F297-Y323 HydrophobicContact CD2-CE1 3.74Å; F297-Y323 HydrophobicContact CD2-CG 4.35Å; F297-Y323 AromaticContact CE2-CD1 3.86Å; F297-Y323 HydrophobicContact CE2-CD1 3.86Å; F297-Y323 AromaticContact CE2-CE1 3.67Å; F297-Y323 HydrophobicContact CE2-CE1 3.67Å; F297-Y323 HydrophobicContact CG-CD1 4.35Å; W316-Y323 AromaticContact CH2-CD1 3.93Å; W316-Y323 HydrophobicContact CH2-CD1 3.93Å; W316-Y323 AromaticContact CH2-CD2 3.92Å; W316-Y323 HydrophobicContact CH2-CD2 3.92Å; W316-Y323 AromaticContact CH2-CE1 3.99Å; W316-Y323 HydrophobicContact CH2-CE1 3.99Å; W316-Y323 HydrophobicContact CH2-CE2 4.02Å; W316-Y323 AromaticContact CH2-CG 3.84Å; W316-Y323 HydrophobicContact CH2-CG 3.84Å; W316-Y323 HydrophobicContact CZ3-CD1 4.38Å; W316-Y323 AromaticContact CZ3-CD2 3.5Å; W316-Y323 HydrophobicContact CZ3-CD2 3.5Å; W316-Y323 HydrophobicContact CZ3-CE1 4.46Å; W316-Y323 AromaticContact CZ3-CE2 3.65Å; W316-Y323 HydrophobicContact CZ3-CE2 3.65Å; W316-Y323 AromaticContact CZ3-CG 3.87Å; W316-Y323 HydrophobicContact CZ3-CG 3.87Å; A318-Y323 HydrophobicContact CB-CD2 4.36Å; Y323-R325 PolarHBondContact O-N 2.99Å; Y323-K327 WeakPolarHBondContact O-CA 3.28Å; Y323-K327 PolarHBondContact O-N 2.84Å; Y323-Y329 HydrophobicContact CE2-CD1 4.14Å; Y323-Y329 HydrophobicContact CE2-CG 4.18Å
324	D	91.6	Very high	92.7	Very high	72 Å²	72	45.5 Å²	45.5	39%	0.385	21%	0.21	S	C	.	.	H	α-helix	trans	-63.8	-34.3	-175.5	-64.9	-38.5	0	0	0	111.2	Q298 D322	Q298-D324 WeakPolarHBondContact CA-OD2 3.49Å; Q298-D324 PolarHBondContact N-OD1 3.25Å; Q298-D324 PolarHBondContact N-OD2 3.07Å; D322-D324 PolarHBondContact OD1-N 3.23Å
325	R	93.5	Very high	92.5	Very high	156 Å²	156	43.4 Å²	43.4	59%	0.589	20%	0.203	S	C	*	.	H	α-helix	trans	-77.6	-55.5	175.4	-172.4	-174.8	69.9	-144.3	-5.6	113	D322 Y323	D322-R325 HydrophobicContact CB-CB 4.12Å; D322-R325 PolarHBondContact OD1-N 3.47Å; Y323-R325 PolarHBondContact O-N 2.99Å
326	D	93.4	Very high	91.9	Very high	68 Å²	68	41.9 Å²	41.9	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-93.2	-23.1	-165.7	-57.5	-33.1	0	0	0	112.6	T320 D322 S328	T320-D326 VanDerWaalsContact CB-OD2 3.25Å; T320-D326 WeakPolarHBondContact CB-OD2 3.37Å; T320-D326 HydrophobicContact CG2-CB 4.03Å; T320-D326 WeakPolarHBondContact OG1-CB 3.39Å; T320-D326 PolarHBondContact OG1-OD2 3.49Å; D322-D326 PolarHBondContact O-N 3.04Å; D326-S328 PolarHBondContact O-N 2.87Å; D326-S328 VanDerWaalsContact O-N 3.12Å
327	K	93.2	Very high	90.8	Very high	134 Å²	134	43.1 Å²	43.1	58%	0.583	20%	0.204	S	C	*	.			trans	53.7	28	179.4	-55.6	179.6	-177.7	179.5	0	113.6	N285 Y323	N285-K327 PolarHBondContact ND2-O 3.47Å; N285-K327 PolarHBondContact OD1-O 2.94Å; Y323-K327 WeakPolarHBondContact O-CA 3.28Å; Y323-K327 PolarHBondContact O-N 2.84Å
328	S	95	Very high	89.7	Confident	26 Å²	26	43.3 Å²	43.3	18%	0.182	21%	0.205	C	C	.	.			trans	-97.8	126.2	176.9	-162.1	0	0	0	0	109.9	N285 A318 T319 D326	N285-S328 WeakPolarHBondContact OD1-CA 3.14Å; A318-S328 WeakPolarHBondContact CA-O 3.21Å; T319-S328 PolarHBondContact N-O 3.41Å; T319-S328 VanDerWaalsContact N-O 3.16Å; T319-S328 VanDerWaalsContact OG1-CB 3.23Å; T319-S328 WeakPolarHBondContact OG1-CB 3.41Å; T319-S328 PolarHBondContact OG1-O 3.44Å; T319-S328 PolarHBondContact OG1-OG 2.94Å; D326-S328 PolarHBondContact O-N 2.87Å; D326-S328 VanDerWaalsContact O-N 3.12Å
329	Y	94.8	Very high	88.9	Confident	60 Å²	60	43.3 Å²	43.3	24%	0.235	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	161.1	-174.4	78.6	-77.3	0	0	0	112.5	N285 G286 W316 C317 Y323 F331	N285-Y329 PolarHBondContact N-O 2.76Å; N285-Y329 WeakPolarHBondContact OD1-CD1 3.3Å; N285-Y329 PolarHBondContact OD1-N 3.43Å; N285-Y329 PolarHBondContact OD1-O 3.46Å; G286-Y329 PolarHBondContact N-O 3.46Å; W316-Y329 HydrophobicContact CE3-CD2 4.45Å; C317-Y329 VanDerWaalsContact O-CA 3.26Å; C317-Y329 WeakPolarHBondContact O-CA 3.46Å; C317-Y329 VanDerWaalsContact O-CB 3.29Å; C317-Y329 WeakPolarHBondContact O-CB 3.31Å; Y323-Y329 HydrophobicContact CE2-CD1 4.14Å; Y323-Y329 HydrophobicContact CE2-CG 4.18Å; Y329-F331 HydrophobicContact CE2-CD2 4.48Å; Y329-F331 HydrophobicContact CE2-CE1 4.42Å; Y329-F331 AromaticContact CE2-CE2 3.78Å; Y329-F331 HydrophobicContact CE2-CE2 3.78Å; Y329-F331 AromaticContact CE2-CZ 3.75Å; Y329-F331 HydrophobicContact CE2-CZ 3.75Å
330	G	95.1	Very high	88.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	167.1	170.3	0	0	0	0	0	111.2	W316 C317	W316-G330 WeakPolarHBondContact CA-O 3.23Å; C317-G330 PolarHBondContact N-O 3.44Å; C317-G330 PolarHBondContact O-N 3.22Å; C317-G330 VanDerWaalsContact O-N 3.12Å
331	F	93.9	Very high	87.4	Confident	43 Å²	43	43.1 Å²	43.1	19%	0.189	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	151.5	178.3	-63.8	-79.8	0	0	0	111.8	L282 R315 W316 Y329 P333	L282-F331 PolarHBondContact N-O 3.12Å; L282-F331 WeakPolarHBondContact O-CB 3.33Å; L282-F331 WeakPolarHBondContact O-CD2 3.31Å; L282-F331 PolarHBondContact O-N 3.41Å; R315-F331 WeakPolarHBondContact O-CA 3.32Å; W316-F331 HydrophobicContact CB-CD1 3.97Å; W316-F331 HydrophobicContact CB-CE1 4.24Å; Y329-F331 HydrophobicContact CE2-CD2 4.48Å; Y329-F331 HydrophobicContact CE2-CE1 4.42Å; Y329-F331 AromaticContact CE2-CE2 3.78Å; Y329-F331 HydrophobicContact CE2-CE2 3.78Å; Y329-F331 AromaticContact CE2-CZ 3.75Å; Y329-F331 HydrophobicContact CE2-CZ 3.75Å; F331-P333 VanDerWaalsContact C-CD 3.44Å; F331-P333 WeakPolarHBondContact O-CD 3.32Å
332	C	91.4	Very high	86.8	Confident	4 Å²	4	39.2 Å²	39.2	3%	0.027	20%	0.204	C	C	.	.			trans	-119.8	68	179.9	-42.2	0	0	0	0	110	E277 C291 C305 R315 E334	E277-C332 HydrophobicContact CB-CB 4.31Å; C291-C332 VanDerWaalsContact SG-SG 3.67Å; C305-C332 HydrophobicContact CB-CB 3.64Å; C305-C332 WeakPolarHBondContact CB-SG 3.48Å; C305-C332 WeakPolarHBondContact SG-CB 3.45Å; C305-C332 CovalentContact SG-SG 2.05Å; C305-C332 PolarHBondContact SG-SG 3.42Å; R315-C332 HydrophobicContact CB-CB 4.2Å; R315-C332 PolarHBondContact NE-O 2.71Å; R315-C332 PolarHBondContact NH2-O 3.02Å; R315-C332 PolarHBondContact O-N 3.02Å; C332-E334 VanDerWaalsContact C-N 3.32Å; C332-E334 PolarHBondContact O-N 2.9Å
333	P	86	Confident	86.3	Confident	14 Å²	14	38.8 Å²	38.8	9%	0.091	20%	0.202	C	C	.	.			trans	-67.4	-31.7	-169.8	25.6	-33.8	0	0	0	113.2	E137 L282 R315 F331	E137-P333 HydrophobicContact CG-CB 4.37Å; E137-P333 WeakPolarHBondContact OE1-CB 3.33Å; L282-P333 HydrophobicContact CB-CG 4.33Å; L282-P333 HydrophobicContact CD1-CG 3.47Å; L282-P333 VanDerWaalsContact CD1-CG 3.47Å; L282-P333 HydrophobicContact CG-CG 4.42Å; R315-P333 VanDerWaalsContact NH2-C 3.34Å; R315-P333 PolarHBondContact NH2-O 3.3Å; F331-P333 VanDerWaalsContact C-CD 3.44Å; F331-P333 WeakPolarHBondContact O-CD 3.32Å
334	E	87	Confident	85.6	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.019	19%	0.193	C	C	.	.			trans	-147.6	146.8	-177.5	-176.5	176.6	-148.6	0	0	108.4	V221 K222 P275 C332	V221-E334 WeakPolarHBondContact CA-OE1 3.41Å; K222-E334 PolarHBondContact N-OE1 2.92Å; K222-E334 PolarHBondContact N-OE2 3.42Å; P275-E334 HydrophobicContact CB-CB 4.03Å; P275-E334 HydrophobicContact CB-CG 4.46Å; P275-E334 WeakPolarHBondContact CB-O 3.21Å; P275-E334 HydrophobicContact CG-CB 4.2Å; P275-E334 HydrophobicContact CG-CG 4.44Å; C332-E334 VanDerWaalsContact C-N 3.32Å; C332-E334 PolarHBondContact O-N 2.9Å
335	T	85.1	Confident	84.8	Confident	14 Å²	14	41.8 Å²	41.8	9%	0.086	22%	0.216	C	C	.	.			trans	-126.1	112.4	175.1	-61	0	0	0	0	108.6	P133 E277 M337	P133-T335 PolarHBondContact O-N 3Å; E277-T335 PolarHBondContact OE1-OG1 2.9Å; E277-T335 WeakPolarHBondContact OE2-CG2 3.07Å; E277-T335 PolarHBondContact OE2-OG1 3.37Å; T335-M337 VanDerWaalsContact C-N 3.3Å; T335-M337 HydrophobicContact CG2-CG 4.23Å; T335-M337 PolarHBondContact O-N 3.27Å
336	A	79.3	Confident	83.8	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.008	19%	0.193	C	C	.	.			trans	-71.1	86.4	176.4	0	0	0	0	0	110.2	V221 C247 C274 P275 S338	V221-A336 HydrophobicContact CG1-CB 4.08Å; V221-A336 HydrophobicContact CG2-CB 4.25Å; C247-A336 HydrophobicContact CB-CB 4.49Å; C274-A336 HydrophobicContact CB-CB 3.61Å; P275-A336 VanDerWaalsContact O-CB 3.28Å; P275-A336 WeakPolarHBondContact O-CB 3.47Å; P275-A336 PolarHBondContact O-N 3.09Å; A336-S338 PolarHBondContact O-N 2.93Å
337	M	71.8	Confident	82.9	Confident	34 Å²	34	34 Å²	34	17%	0.167	19%	0.193	C	C	.	.			trans	-69.9	127.7	179.6	-66.6	-159.7	-63.4	0	0	110.9	D134 Q219 T335 V340	D134-M337 WeakPolarHBondContact OD1-CE 3.27Å; Q219-M337 PolarHBondContact NE2-O 3.05Å; Q219-M337 PolarHBondContact OE1-O 3.18Å; T335-M337 VanDerWaalsContact C-N 3.3Å; T335-M337 HydrophobicContact CG2-CG 4.23Å; T335-M337 PolarHBondContact O-N 3.27Å; M337-V340 HydrophobicContact CE-CG2 4.22Å
338	S	70.6	Confident	82.1	Confident	4 Å²	4	30.9 Å²	30.9	3%	0.028	19%	0.186	C	C	.	.	S	Bend	trans	-94.1	-16.8	173.8	-65.2	0	0	0	0	112.2	A336 G346 P391	A336-S338 PolarHBondContact O-N 2.93Å; S338-G346 PolarHBondContact N-O 2.89Å; S338-P391 WeakPolarHBondContact O-CD 3.34Å
339	T	79.2	Confident	81.5	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-138.7	150.6	168.2	61.2	0	0	0	0	110.7	G346 S347 C375 T377 F389	T339-G346 WeakPolarHBondContact O-CA 2.96Å; T339-G346 WeakPolarHBondContact OG1-CA 3.35Å; T339-S347 WeakPolarHBondContact CG2-O 3.33Å; T339-S347 PolarHBondContact OG1-O 3.17Å; T339-C375 WeakPolarHBondContact CG2-SG 3.24Å; T339-T377 HydrophobicContact CG2-CG2 3.92Å; T339-F389 CarbonylContact C-O 2.75Å; T339-F389 WeakPolarHBondContact CA-O 3.21Å; T339-F389 WeakPolarHBondContact CB-O 3.26Å
340	V	77.4	Confident	80.9	Confident	7 Å²	7	30.2 Å²	30.2	4%	0.042	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-110.2	138.8	176.1	-171.2	0	0	0	0	109.7	K187 Q212 M337 F389 P391	K187-V340 HydrophobicContact CD-CG1 4.03Å; Q212-V340 HydrophobicContact CB-CG1 4.47Å; Q212-V340 HydrophobicContact CB-CG2 4.47Å; Q212-V340 HydrophobicContact CG-CG2 4.26Å; M337-V340 HydrophobicContact CE-CG2 4.22Å; V340-F389 PolarHBondContact N-O 3.41Å; V340-F389 WeakPolarHBondContact O-CA 3.31Å; V340-F389 VanDerWaalsContact O-CB 3.24Å; V340-F389 WeakPolarHBondContact O-CB 3.47Å; V340-F389 WeakPolarHBondContact O-CD2 3.46Å; V340-F389 PolarHBondContact O-N 3.07Å; V340-P391 HydrophobicContact CG2-CG 4.43Å
341	G	78.6	Confident	80.2	Confident	46 Å²	46	34.4 Å²	34.4	47%	0.474	21%	0.206	S	C	.	.	S	Bend	trans	57.7	-146.2	-179.7	0	0	0	0	0	114
342	G	80.2	Confident	79.8	Confident	34 Å²	34	35.7 Å²	35.7	35%	0.351	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	-147.3	-176.2	0	0	0	0	0	112.5
343	N	81.9	Confident	79.8	Confident	37 Å²	37	35.5 Å²	35.5	20%	0.198	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	14.6	-178	71	4.2	0	0	0	113.3	R385 K386 W387	N343-R385 PolarHBondContact ND2-O 3.28Å; N343-K386 PolarHBondContact O-NZ 3.31Å; N343-K386 WeakPolarHBondContact OD1-CA 3.37Å; N343-W387 PolarHBondContact N-O 3.34Å; N343-W387 PolarHBondContact OD1-N 3.21Å; N343-W387 PolarHBondContact OD1-O 3.37Å
344	A	79.1	Confident	80.1	Confident	4 Å²	4	37 Å²	37	3%	0.033	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	2.4	-176.5	0	0	0	0	0	113.6	G346 S347 T377 W387	A344-G346 VanDerWaalsContact C-N 3.26Å; A344-G346 PolarHBondContact O-N 2.91Å; A344-G346 VanDerWaalsContact O-N 3.16Å; A344-S347 WeakPolarHBondContact O-CB 3.27Å; A344-S347 PolarHBondContact O-N 3.07Å; A344-S347 PolarHBondContact O-OG 2.95Å; A344-T377 HydrophobicContact CB-CG2 3.46Å; A344-T377 VanDerWaalsContact CB-CG2 3.46Å; A344-T377 VanDerWaalsContact CB-OG1 3.26Å; A344-T377 WeakPolarHBondContact CB-OG1 3.37Å; A344-W387 VanDerWaalsContact CB-O 3.32Å; A344-W387 WeakPolarHBondContact CB-O 3.44Å; A344-W387 PolarHBondContact N-O 2.97Å
345	E	74.3	Confident	80.4	Confident	187 Å²	187	36.8 Å²	36.8	87%	0.874	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	44.4	170.6	-62.9	171.9	-168.9	0	0	112.7	S347	E345-S347 PolarHBondContact O-N 3.1Å
346	G	72.2	Confident	80.6	Confident	9 Å²	9	39.9 Å²	39.9	9%	0.093	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-6.6	178.3	0	0	0	0	0	116.3	S338 T339 A344	S338-G346 PolarHBondContact N-O 2.89Å; T339-G346 WeakPolarHBondContact O-CA 2.96Å; T339-G346 WeakPolarHBondContact OG1-CA 3.35Å; A344-G346 VanDerWaalsContact C-N 3.26Å; A344-G346 PolarHBondContact O-N 2.91Å; A344-G346 VanDerWaalsContact O-N 3.16Å
347	S	74.3	Confident	81	Confident	52 Å²	52	42.6 Å²	42.6	36%	0.364	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-54.8	144.3	-178	-63.1	0	0	0	0	112.6	T339 A344 E345 T377	T339-S347 WeakPolarHBondContact CG2-O 3.33Å; T339-S347 PolarHBondContact OG1-O 3.17Å; A344-S347 WeakPolarHBondContact O-CB 3.27Å; A344-S347 PolarHBondContact O-N 3.07Å; A344-S347 PolarHBondContact O-OG 2.95Å; E345-S347 PolarHBondContact O-N 3.1Å; S347-T377 WeakPolarHBondContact O-CG2 3.22Å
348	P	76.8	Confident	81.9	Confident	68 Å²	68	45.7 Å²	45.7	44%	0.442	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-66.4	146.2	-177.7	27	-34.2	0	0	0	114.2	T377	P348-T377 WeakPolarHBondContact O-CA 3.25Å; P348-T377 WeakPolarHBondContact O-CB 3.31Å
349	C	81.8	Confident	82.8	Confident	30 Å²	30	49.2 Å²	49.2	20%	0.203	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-57.1	139.7	167.9	-57.7	0	0	0	0	110.5	F351 C375 A376	C349-F351 HydrophobicContact CB-CD2 4.16Å; C349-F351 HydrophobicContact CB-CE1 4.32Å; C349-F351 HydrophobicContact CB-CE2 3.43Å; C349-F351 VanDerWaalsContact CB-CE2 3.43Å; C349-F351 HydrophobicContact CB-CZ 3.53Å; C349-C375 VanDerWaalsContact CA-SG 3.5Å; C349-C375 HydrophobicContact CB-CB 3.62Å; C349-C375 WeakPolarHBondContact CB-SG 3.38Å; C349-C375 WeakPolarHBondContact SG-CB 3.41Å; C349-C375 CovalentContact SG-SG 2.01Å; C349-C375 PolarHBondContact SG-SG 2.88Å; C349-A376 WeakPolarHBondContact CA-O 3.36Å
350	V	83.3	Confident	83.1	Confident	43 Å²	43	51.1 Å²	51.1	26%	0.261	32%	0.319	S	S	.	.			trans	-105.7	118.8	173.1	175.1	0	0	0	0	108.5	P352 F353 A376 T377 K379	V350-P352 CarbonylContact O-C 2.98Å; V350-F353 WeakPolarHBondContact O-CB 3.41Å; V350-F353 WeakPolarHBondContact O-CD1 3.3Å; V350-F353 PolarHBondContact O-N 3.31Å; V350-A376 PolarHBondContact N-O 2.81Å; V350-T377 WeakPolarHBondContact CG2-O 3.03Å; V350-K379 HydrophobicContact CG1-CB 4.47Å; V350-K379 HydrophobicContact CG1-CG 3.71Å
351	F	79.5	Confident	83.3	Confident	87 Å²	87	56.5 Å²	56.5	38%	0.382	35%	0.347	S	S	.	.	S	Bend	trans	-116.7	137.4	176.5	-60.7	-63.6	0	0	0	111.2	C349 F353 S362 C375	C349-F351 HydrophobicContact CB-CD2 4.16Å; C349-F351 HydrophobicContact CB-CE1 4.32Å; C349-F351 HydrophobicContact CB-CE2 3.43Å; C349-F351 VanDerWaalsContact CB-CE2 3.43Å; C349-F351 HydrophobicContact CB-CZ 3.53Å; F351-F353 AromaticContact CD1-CD1 3.93Å; F351-F353 HydrophobicContact CD1-CD1 3.93Å; F351-F353 HydrophobicContact CD1-CE1 4.17Å; F351-F353 AromaticContact CE1-CD1 3.98Å; F351-F353 HydrophobicContact CE1-CD1 3.98Å; F351-F353 AromaticContact CE1-CE1 3.8Å; F351-F353 HydrophobicContact CE1-CE1 3.8Å; F351-S362 VanDerWaalsContact CE1-CA 3.4Å; F351-C375 HydrophobicContact CE1-CB 4.23Å; F351-C375 HydrophobicContact CZ-CB 4.08Å
352	P	87.1	Confident	83.4	Confident	70 Å²	70	57.9 Å²	57.9	46%	0.455	35%	0.35	S	S	.	.	S	Bend	cis	-64.7	148.5	-15.2	20.3	-28	0	0	0	112.9	V350 S359 Y360 D361	V350-P352 CarbonylContact O-C 2.98Å; P352-S359 WeakPolarHBondContact CB-OG 3.28Å; P352-Y360 CarbonylContact C-O 3.55Å; P352-Y360 VanDerWaalsContact CA-O 3.25Å; P352-Y360 WeakPolarHBondContact CA-O 3.42Å; P352-D361 VanDerWaalsContact CB-OD1 3.28Å; P352-D361 WeakPolarHBondContact CB-OD1 3.42Å
353	F	90.7	Very high	83.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	152.3	163.7	70	-88	0	0	0	112.2	V350 F351 F355 S359 Y360 T364 W374 C375 A376 T378 K379	V350-F353 WeakPolarHBondContact O-CB 3.41Å; V350-F353 WeakPolarHBondContact O-CD1 3.3Å; V350-F353 PolarHBondContact O-N 3.31Å; F351-F353 AromaticContact CD1-CD1 3.93Å; F351-F353 HydrophobicContact CD1-CD1 3.93Å; F351-F353 HydrophobicContact CD1-CE1 4.17Å; F351-F353 AromaticContact CE1-CD1 3.98Å; F351-F353 HydrophobicContact CE1-CD1 3.98Å; F351-F353 AromaticContact CE1-CE1 3.8Å; F351-F353 HydrophobicContact CE1-CE1 3.8Å; F353-F355 HydrophobicContact CD2-CB 4.12Å; F353-F355 HydrophobicContact CE2-CB 3.81Å; F353-S359 CarbonylContact O-C 3.58Å; F353-S359 WeakPolarHBondContact O-CA 3.24Å; F353-Y360 HydrophobicContact CD2-CD2 4.47Å; F353-Y360 AromaticContact CE2-CD2 3.99Å; F353-Y360 HydrophobicContact CE2-CD2 3.99Å; F353-Y360 HydrophobicContact CE2-CG 4.22Å; F353-Y360 HydrophobicContact CZ-CD2 4.28Å; F353-Y360 HydrophobicContact CZ-CG 4.04Å; F353-Y360 PolarHBondContact N-O 3.16Å; F353-Y360 PolarHBondContact O-N 3.48Å; F353-T364 HydrophobicContact CZ-CG2 3.99Å; F353-W374 AromaticContact CE2-CH2 3.81Å; F353-W374 HydrophobicContact CE2-CH2 3.81Å; F353-W374 HydrophobicContact CE2-CZ2 4.4Å; F353-W374 HydrophobicContact CE2-CZ3 4.1Å; F353-W374 HydrophobicContact CZ-CH2 4.4Å; F353-W374 HydrophobicContact CZ-CZ3 4.46Å; F353-C375 HydrophobicContact CE1-CB 4.1Å; F353-A376 HydrophobicContact CB-CB 3.7Å; F353-A376 HydrophobicContact CD1-CB 4.2Å; F353-A376 HydrophobicContact CD2-CB 3.41Å; F353-A376 VanDerWaalsContact CD2-CB 3.41Å; F353-A376 HydrophobicContact CE2-CB 4.02Å; F353-A376 HydrophobicContact CG-CB 3.52Å; F353-T378 WeakPolarHBondContact CB-O 3.33Å; F353-K379 WeakPolarHBondContact CA-O 3.34Å
354	T	92.1	Very high	84	Confident	46 Å²	46	56.7 Å²	56.7	28%	0.282	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.3	174.8	-51.6	0	0	0	0	110.8	D358 K379 N380 Y381	T354-D358 CarbonylContact C-O 3.58Å; T354-D358 WeakPolarHBondContact CA-O 3.46Å; T354-K379 PolarHBondContact N-O 3.29Å; T354-N380 PolarHBondContact O-OD1 2.96Å; T354-Y381 WeakPolarHBondContact O-CB 3.36Å; T354-Y381 PolarHBondContact O-N 3.12Å
355	F	92.9	Very high	84.4	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	124.4	174.2	170.9	-111.2	0	0	0	110.3	I35 F37 F353 G357 D358 Y360 S366 W374 Y381	I35-F355 HydrophobicContact CD1-CE2 3.37Å; I35-F355 HydrophobicContact CD1-CZ 3.43Å; I35-F355 VanDerWaalsContact CD1-CZ 3.43Å; I35-F355 HydrophobicContact CG1-CE2 4.39Å; I35-F355 HydrophobicContact CG1-CZ 3.96Å; F37-F355 HydrophobicContact CZ-CE2 4.37Å; F37-F355 HydrophobicContact CZ-CZ 4.19Å; F353-F355 HydrophobicContact CD2-CB 4.12Å; F353-F355 HydrophobicContact CE2-CB 3.81Å; F355-G357 PolarHBondContact O-N 2.86Å; F355-D358 PolarHBondContact N-O 3.15Å; F355-D358 PolarHBondContact O-N 2.71Å; F355-Y360 HydrophobicContact CB-CD2 3.96Å; F355-Y360 HydrophobicContact CB-CE2 3.72Å; F355-Y360 AromaticContact CD1-CE2 3.9Å; F355-Y360 HydrophobicContact CD1-CE2 3.9Å; F355-Y360 HydrophobicContact CG-CE2 4.3Å; F355-S366 WeakPolarHBondContact CE1-O 3.19Å; F355-W374 HydrophobicContact CB-CH2 4.22Å; F355-W374 HydrophobicContact CB-CZ2 4.49Å; F355-W374 HydrophobicContact CD1-CH2 4.38Å; F355-W374 AromaticContact CD1-CZ2 3.86Å; F355-W374 HydrophobicContact CD1-CZ2 3.86Å; F355-W374 AromaticContact CD2-CH2 3.65Å; F355-W374 HydrophobicContact CD2-CH2 3.65Å; F355-W374 AromaticContact CD2-CZ2 3.79Å; F355-W374 HydrophobicContact CD2-CZ2 3.79Å; F355-W374 AromaticContact CE1-CZ2 3.93Å; F355-W374 HydrophobicContact CE1-CZ2 3.93Å; F355-W374 HydrophobicContact CE2-CH2 4.02Å; F355-W374 AromaticContact CE2-CZ2 3.86Å; F355-W374 HydrophobicContact CE2-CZ2 3.86Å; F355-W374 AromaticContact CG-CH2 3.83Å; F355-W374 HydrophobicContact CG-CH2 3.83Å; F355-W374 AromaticContact CG-CZ2 3.78Å; F355-W374 HydrophobicContact CG-CZ2 3.78Å; F355-W374 AromaticContact CZ-CZ2 3.92Å; F355-W374 HydrophobicContact CZ-CZ2 3.92Å; F355-Y381 AromaticContact CD2-CD1 3.39Å; F355-Y381 HydrophobicContact CD2-CD1 3.39Å; F355-Y381 AromaticContact CD2-CE1 3.91Å; F355-Y381 HydrophobicContact CD2-CE1 3.91Å; F355-Y381 AromaticContact CD2-CG 3.94Å; F355-Y381 HydrophobicContact CD2-CG 3.94Å; F355-Y381 AromaticContact CE2-CD1 3.73Å; F355-Y381 HydrophobicContact CE2-CD1 3.73Å; F355-Y381 AromaticContact CE2-CE1 3.73Å; F355-Y381 HydrophobicContact CE2-CE1 3.73Å
356	L	89.7	Confident	85.1	Confident	78 Å²	78	50.9 Å²	50.9	41%	0.408	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	33.2	-174.7	-60.4	177.1	0	0	0	113.7	P33 I35 D358 D382	P33-L356 HydrophobicContact CG-CD1 3.54Å; I35-L356 HydrophobicContact CG2-CD1 4.43Å; L356-D358 VanDerWaalsContact C-N 3.27Å; L356-D358 PolarHBondContact O-N 2.8Å; L356-D382 WeakPolarHBondContact CA-OD2 3.36Å; L356-D382 VanDerWaalsContact N-CG 3.31Å; L356-D382 PolarHBondContact N-OD1 3.22Å; L356-D382 PolarHBondContact N-OD2 2.79Å
357	G	87.5	Confident	85.6	Confident	58 Å²	58	50.5 Å²	50.5	60%	0.598	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-2.1	-177.1	0	0	0	0	0	116	F355 D382	F355-G357 PolarHBondContact O-N 2.86Å; G357-D382 PolarHBondContact N-OD2 2.65Å; G357-D382 VanDerWaalsContact N-OD2 3.11Å
358	D	89.9	Confident	86.1	Confident	100 Å²	100	49.5 Å²	49.5	54%	0.535	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	145.4	172.8	-68.5	-41.6	0	0	0	110.3	T354 F355 L356 Y360	T354-D358 CarbonylContact C-O 3.58Å; T354-D358 WeakPolarHBondContact CA-O 3.46Å; F355-D358 PolarHBondContact N-O 3.15Å; F355-D358 PolarHBondContact O-N 2.71Å; L356-D358 VanDerWaalsContact C-N 3.27Å; L356-D358 PolarHBondContact O-N 2.8Å; D358-Y360 HydrophobicContact CB-CE2 3.79Å; D358-Y360 WeakPolarHBondContact O-CD2 3.21Å
359	S	90.2	Very high	86.1	Confident	78 Å²	78	50.3 Å²	50.3	55%	0.545	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.5	178.7	-174.3	0	0	0	0	110.4	P352 F353	P352-S359 WeakPolarHBondContact CB-OG 3.28Å; F353-S359 CarbonylContact O-C 3.58Å; F353-S359 WeakPolarHBondContact O-CA 3.24Å
360	Y	84.9	Confident	85.8	Confident	39 Å²	39	52.6 Å²	52.6	15%	0.153	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126	-178.5	-64.3	-92.3	0	0	0	110.6	P352 F353 F355 D358 T364 S366	P352-Y360 CarbonylContact C-O 3.55Å; P352-Y360 VanDerWaalsContact CA-O 3.25Å; P352-Y360 WeakPolarHBondContact CA-O 3.42Å; F353-Y360 HydrophobicContact CD2-CD2 4.47Å; F353-Y360 AromaticContact CE2-CD2 3.99Å; F353-Y360 HydrophobicContact CE2-CD2 3.99Å; F353-Y360 HydrophobicContact CE2-CG 4.22Å; F353-Y360 HydrophobicContact CZ-CD2 4.28Å; F353-Y360 HydrophobicContact CZ-CG 4.04Å; F353-Y360 PolarHBondContact N-O 3.16Å; F353-Y360 PolarHBondContact O-N 3.48Å; F355-Y360 HydrophobicContact CB-CD2 3.96Å; F355-Y360 HydrophobicContact CB-CE2 3.72Å; F355-Y360 AromaticContact CD1-CE2 3.9Å; F355-Y360 HydrophobicContact CD1-CE2 3.9Å; F355-Y360 HydrophobicContact CG-CE2 4.3Å; D358-Y360 HydrophobicContact CB-CE2 3.79Å; D358-Y360 WeakPolarHBondContact O-CD2 3.21Å; Y360-T364 HydrophobicContact CD1-CG2 3.84Å; Y360-T364 HydrophobicContact CE1-CG2 3.96Å; Y360-T364 VanDerWaalsContact CE1-OG1 3.32Å; Y360-T364 WeakPolarHBondContact CE1-OG1 3.24Å; Y360-T364 HydrophobicContact CG-CG2 4.27Å; Y360-S366 WeakPolarHBondContact OH-CB 3.38Å; Y360-S366 PolarHBondContact OH-OG 3.35Å; Y360-S366 VanDerWaalsContact OH-OG 3.1Å
361	D	81.4	Confident	85.4	Confident	121 Å²	121	52.8 Å²	52.8	65%	0.647	33%	0.33	S	S	*	.	S	Bend	trans	-99.3	1.8	177.6	-65.3	-55.3	0	0	0	113	P352	P352-D361 VanDerWaalsContact CB-OD1 3.28Å; P352-D361 WeakPolarHBondContact CB-OD1 3.42Å
362	S	82	Confident	85.6	Confident	75 Å²	75	51.7 Å²	51.7	52%	0.524	33%	0.325	S	S	.	.	S	Bend	trans	-149.1	169.3	179.2	68.3	0	0	0	0	110.4	F351	F351-S362 VanDerWaalsContact CE1-CA 3.4Å
363	C	87.1	Confident	85.6	Confident	31 Å²	31	52.7 Å²	52.7	21%	0.209	33%	0.325	C	S	.	.			trans	-54.7	146.9	169.5	-56.3	0	0	0	0	110.9	M373 W374 C390	C363-M373 HydrophobicContact CB-CB 4.21Å; C363-M373 HydrophobicContact CB-CE 4.17Å; C363-M373 WeakPolarHBondContact O-CE 3.29Å; C363-W374 WeakPolarHBondContact CA-O 3.14Å; C363-C390 HydrophobicContact CB-CB 3.79Å; C363-C390 WeakPolarHBondContact CB-SG 3.46Å; C363-C390 WeakPolarHBondContact SG-CB 3.35Å; C363-C390 CovalentContact SG-SG 2.01Å; C363-C390 PolarHBondContact SG-SG 3.1Å
364	T	86.8	Confident	85.5	Confident	15 Å²	15	52.7 Å²	52.7	9%	0.092	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-139.5	153.5	-175.7	-170.3	0	0	0	0	110.4	F353 Y360 S366 W374	F353-T364 HydrophobicContact CZ-CG2 3.99Å; Y360-T364 HydrophobicContact CD1-CG2 3.84Å; Y360-T364 HydrophobicContact CE1-CG2 3.96Å; Y360-T364 VanDerWaalsContact CE1-OG1 3.32Å; Y360-T364 WeakPolarHBondContact CE1-OG1 3.24Å; Y360-T364 HydrophobicContact CG-CG2 4.27Å; T364-S366 VanDerWaalsContact C-N 3.35Å; T364-S366 WeakPolarHBondContact OG1-CB 3.14Å; T364-S366 PolarHBondContact OG1-N 2.83Å; T364-S366 PolarHBondContact OG1-OG 3.46Å; T364-W374 HydrophobicContact CG2-CZ2 4.27Å; T364-W374 PolarHBondContact N-O 3.18Å; T364-W374 PolarHBondContact O-N 3.08Å; T364-W374 PolarHBondContact O-NE1 2.86Å
365	S	88.2	Confident	85.3	Confident	51 Å²	51	50.5 Å²	50.5	36%	0.357	31%	0.312	S	S	.	.			trans	-96.1	5.7	168.1	56.4	0	0	0	0	112	G367 R368	S365-G367 PolarHBondContact O-N 2.88Å; S365-R368 PolarHBondContact O-N 3.13Å
366	S	87.9	Confident	85.2	Confident	17 Å²	17	50.5 Å²	50.5	12%	0.119	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	130.6	-179.2	-65.9	0	0	0	0	110.9	F355 Y360 T364 W374	F355-S366 WeakPolarHBondContact CE1-O 3.19Å; Y360-S366 WeakPolarHBondContact OH-CB 3.38Å; Y360-S366 PolarHBondContact OH-OG 3.35Å; Y360-S366 VanDerWaalsContact OH-OG 3.1Å; T364-S366 VanDerWaalsContact C-N 3.35Å; T364-S366 WeakPolarHBondContact OG1-CB 3.14Å; T364-S366 PolarHBondContact OG1-N 2.83Å; T364-S366 PolarHBondContact OG1-OG 3.46Å; S366-W374 PolarHBondContact O-NE1 2.91Å
367	G	84.3	Confident	85.1	Confident	2 Å²	2	47.7 Å²	47.7	2%	0.021	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-10.8	-176.1	0	0	0	0	0	115	P33 I35 S365	P33-G367 WeakPolarHBondContact O-CA 3.44Å; I35-G367 PolarHBondContact N-O 2.9Å; S365-G367 PolarHBondContact O-N 2.88Å
368	R	82.9	Confident	85.2	Confident	31 Å²	31	46.4 Å²	46.4	12%	0.117	28%	0.278	C	S	.	.			trans	-112.5	154.1	-178.6	-54.8	-166.6	67.8	82.1	3.9	112.6	F37 D40 S365 D370 K372	F37-R368 HydrophobicContact CD2-CG 4.15Å; F37-R368 HydrophobicContact CE2-CG 3.54Å; F37-R368 HydrophobicContact CZ-CG 4.28Å; D40-R368 IonicContact OD1-NH2 2.73Å; D40-R368 PolarHBondContact OD1-NH2 3.36Å; D40-R368 IonicContact OD2-CZ 2.66Å; D40-R368 IonicContact OD2-NH1 2.82Å; D40-R368 PolarHBondContact OD2-NH1 3.4Å; D40-R368 IonicContact OD2-NH2 2.93Å; D40-R368 PolarHBondContact OD2-NH2 3.05Å; S365-R368 PolarHBondContact O-N 3.13Å; R368-D370 WeakPolarHBondContact CB-OD1 3.37Å; R368-D370 IonicContact CZ-OD1 2.63Å; R368-D370 IonicContact CZ-OD2 3.7Å; R368-D370 IonicContact NE-OD1 3.25Å; R368-D370 PolarHBondContact NE-OD1 3.15Å; R368-D370 IonicContact NE-OD2 3.36Å; R368-D370 PolarHBondContact NE-OD2 3.4Å; R368-D370 IonicContact NH2-OD1 3.7Å; R368-D370 IonicContact NH2-OD2 3.29Å; R368-D370 PolarHBondContact NH2-OD2 2.92Å; R368-K372 WeakPolarHBondContact CD-O 3.49Å
369	S	78.1	Confident	85.2	Confident	85 Å²	85	49.4 Å²	49.4	59%	0.594	29%	0.286	S	S	*	.	S	Bend	trans	-109.5	-11	176.5	59.9	0	0	0	0	114
370	D	74.4	Confident	85.3	Confident	77 Å²	77	47.4 Å²	47.4	41%	0.412	27%	0.27	S	S	.	.	S	Bend	trans	-86.9	-7.7	179.2	57	8.8	0	0	0	112.8	R368 K372	R368-D370 WeakPolarHBondContact CB-OD1 3.37Å; R368-D370 IonicContact CZ-OD1 2.63Å; R368-D370 IonicContact CZ-OD2 3.7Å; R368-D370 IonicContact NE-OD1 3.25Å; R368-D370 PolarHBondContact NE-OD1 3.15Å; R368-D370 IonicContact NE-OD2 3.36Å; R368-D370 PolarHBondContact NE-OD2 3.4Å; R368-D370 IonicContact NH2-OD1 3.7Å; R368-D370 IonicContact NH2-OD2 3.29Å; R368-D370 PolarHBondContact NH2-OD2 2.92Å; D370-K372 HydrophobicContact CB-CG 4.36Å; D370-K372 PolarHBondContact O-N 3.12Å; D370-K372 PolarHBondContact OD1-N 3.18Å
371	G	76.5	Confident	85.6	Confident	47 Å²	47	46.1 Å²	46.1	49%	0.485	27%	0.265	S	S	.	.			trans	77.2	1.2	-178.4	0	0	0	0	0	114.4
372	K	82.6	Confident	86	Confident	64 Å²	64	43.1 Å²	43.1	28%	0.278	25%	0.249	S	C	.	.			trans	-65.4	136.9	-180	-65.4	-170	-173	-166.4	0	110.9	D188 R368 D370 F389	D188-K372 VanDerWaalsContact OD2-CE 3.26Å; D188-K372 WeakPolarHBondContact OD2-CE 3.29Å; D188-K372 IonicContact OD2-NZ 3.26Å; D188-K372 PolarHBondContact OD2-NZ 3.42Å; R368-K372 WeakPolarHBondContact CD-O 3.49Å; D370-K372 HydrophobicContact CB-CG 4.36Å; D370-K372 PolarHBondContact O-N 3.12Å; D370-K372 PolarHBondContact OD1-N 3.18Å; K372-F389 HydrophobicContact CB-CD1 3.96Å; K372-F389 HydrophobicContact CB-CE1 3.68Å; K372-F389 HydrophobicContact CD-CD1 4.38Å; K372-F389 HydrophobicContact CD-CE1 3.85Å; K372-F389 HydrophobicContact CD-CZ 4.17Å; K372-F389 HydrophobicContact CG-CE1 4.41Å
373	M	86.7	Confident	86.4	Confident	92 Å²	92	45.4 Å²	45.4	45%	0.453	26%	0.255	S	S	.	.			trans	-86.7	131.4	-178.5	-63.3	-64.2	-82.1	0	0	110.5	C363 C390	C363-M373 HydrophobicContact CB-CB 4.21Å; C363-M373 HydrophobicContact CB-CE 4.17Å; C363-M373 WeakPolarHBondContact O-CE 3.29Å; M373-C390 PolarHBondContact O-N 2.89Å
374	W	88.8	Confident	86.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.4	-178.2	76.5	-85.3	0	0	0	112	F37 F353 F355 C363 T364 S366 A376 Y381 W387 G388 F389	F37-W374 AromaticContact CE1-CD2 3.69Å; F37-W374 HydrophobicContact CE1-CD2 3.69Å; F37-W374 AromaticContact CE1-CE2 3.44Å; F37-W374 VanDerWaalsContact CE1-CE2 3.44Å; F37-W374 AromaticContact CE1-CE3 3.86Å; F37-W374 HydrophobicContact CE1-CE3 3.86Å; F37-W374 HydrophobicContact CE1-CG 4.44Å; F37-W374 AromaticContact CE1-CH2 3.65Å; F37-W374 HydrophobicContact CE1-CH2 3.65Å; F37-W374 AromaticContact CE1-CZ2 3.44Å; F37-W374 HydrophobicContact CE1-CZ2 3.44Å; F37-W374 VanDerWaalsContact CE1-CZ2 3.44Å; F37-W374 AromaticContact CE1-CZ3 3.85Å; F37-W374 HydrophobicContact CE1-CZ3 3.85Å; F37-W374 AromaticContact CE1-NE1 4Å; F37-W374 AromaticContact CZ-CD2 3.92Å; F37-W374 HydrophobicContact CZ-CD2 3.92Å; F37-W374 AromaticContact CZ-CE2 3.29Å; F37-W374 HydrophobicContact CZ-CG 4.42Å; F37-W374 HydrophobicContact CZ-CH2 4.14Å; F37-W374 AromaticContact CZ-CZ2 3.44Å; F37-W374 HydrophobicContact CZ-CZ2 3.44Å; F37-W374 VanDerWaalsContact CZ-CZ2 3.44Å; F37-W374 AromaticContact CZ-NE1 3.41Å; F353-W374 AromaticContact CE2-CH2 3.81Å; F353-W374 HydrophobicContact CE2-CH2 3.81Å; F353-W374 HydrophobicContact CE2-CZ2 4.4Å; F353-W374 HydrophobicContact CE2-CZ3 4.1Å; F353-W374 HydrophobicContact CZ-CH2 4.4Å; F353-W374 HydrophobicContact CZ-CZ3 4.46Å; F355-W374 HydrophobicContact CB-CH2 4.22Å; F355-W374 HydrophobicContact CB-CZ2 4.49Å; F355-W374 HydrophobicContact CD1-CH2 4.38Å; F355-W374 AromaticContact CD1-CZ2 3.86Å; F355-W374 HydrophobicContact CD1-CZ2 3.86Å; F355-W374 AromaticContact CD2-CH2 3.65Å; F355-W374 HydrophobicContact CD2-CH2 3.65Å; F355-W374 AromaticContact CD2-CZ2 3.79Å; F355-W374 HydrophobicContact CD2-CZ2 3.79Å; F355-W374 AromaticContact CE1-CZ2 3.93Å; F355-W374 HydrophobicContact CE1-CZ2 3.93Å; F355-W374 HydrophobicContact CE2-CH2 4.02Å; F355-W374 AromaticContact CE2-CZ2 3.86Å; F355-W374 HydrophobicContact CE2-CZ2 3.86Å; F355-W374 AromaticContact CG-CH2 3.83Å; F355-W374 HydrophobicContact CG-CH2 3.83Å; F355-W374 AromaticContact CG-CZ2 3.78Å; F355-W374 HydrophobicContact CG-CZ2 3.78Å; F355-W374 AromaticContact CZ-CZ2 3.92Å; F355-W374 HydrophobicContact CZ-CZ2 3.92Å; C363-W374 WeakPolarHBondContact CA-O 3.14Å; T364-W374 HydrophobicContact CG2-CZ2 4.27Å; T364-W374 PolarHBondContact N-O 3.18Å; T364-W374 PolarHBondContact O-N 3.08Å; T364-W374 PolarHBondContact O-NE1 2.86Å; S366-W374 PolarHBondContact O-NE1 2.91Å; W374-A376 HydrophobicContact CZ3-CB 4.27Å; W374-Y381 HydrophobicContact CH2-CD1 4.49Å; W374-Y381 AromaticContact CH2-CD2 3.85Å; W374-Y381 HydrophobicContact CH2-CD2 3.85Å; W374-Y381 HydrophobicContact CH2-CE2 4.22Å; W374-Y381 AromaticContact CH2-CG 3.98Å; W374-Y381 HydrophobicContact CH2-CG 3.98Å; W374-Y381 AromaticContact CZ3-CD2 3.68Å; W374-Y381 HydrophobicContact CZ3-CD2 3.68Å; W374-Y381 HydrophobicContact CZ3-CE2 4.04Å; W374-Y381 HydrophobicContact CZ3-CG 4.24Å; W374-W387 HydrophobicContact CB-CE3 3.87Å; W374-W387 HydrophobicContact CB-CZ3 4.02Å; W374-W387 HydrophobicContact CD2-CE3 4.26Å; W374-W387 HydrophobicContact CE3-CB 3.74Å; W374-W387 HydrophobicContact CE3-CD2 4.49Å; W374-W387 HydrophobicContact CE3-CE3 4.04Å; W374-W387 HydrophobicContact CE3-CG 4.41Å; W374-W387 HydrophobicContact CG-CE3 4.2Å; W374-W387 HydrophobicContact CG-CZ3 4.49Å; W374-W387 HydrophobicContact CZ3-CB 3.82Å; W374-G388 WeakPolarHBondContact CA-O 3.26Å; W374-G388 WeakPolarHBondContact CB-O 3.02Å; W374-F389 HydrophobicContact CB-CD1 4.3Å
375	C	89.2	Confident	86.7	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	156.4	174.6	70.1	0	0	0	0	111.6	T339 C349 F351 F353 W387 G388	T339-C375 WeakPolarHBondContact CG2-SG 3.24Å; C349-C375 VanDerWaalsContact CA-SG 3.5Å; C349-C375 HydrophobicContact CB-CB 3.62Å; C349-C375 WeakPolarHBondContact CB-SG 3.38Å; C349-C375 WeakPolarHBondContact SG-CB 3.41Å; C349-C375 CovalentContact SG-SG 2.01Å; C349-C375 PolarHBondContact SG-SG 2.88Å; F351-C375 HydrophobicContact CE1-CB 4.23Å; F351-C375 HydrophobicContact CZ-CB 4.08Å; F353-C375 HydrophobicContact CE1-CB 4.1Å; C375-W387 WeakPolarHBondContact O-CA 3.39Å; C375-W387 WeakPolarHBondContact O-CB 3.48Å; C375-G388 PolarHBondContact N-O 2.7Å; C375-G388 PolarHBondContact O-N 3.17Å
376	A	90.8	Very high	86.8	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	142.6	167.1	0	0	0	0	0	110.2	C349 V350 F353 W374 T378 Y381 K386	C349-A376 WeakPolarHBondContact CA-O 3.36Å; V350-A376 PolarHBondContact N-O 2.81Å; F353-A376 HydrophobicContact CB-CB 3.7Å; F353-A376 HydrophobicContact CD1-CB 4.2Å; F353-A376 HydrophobicContact CD2-CB 3.41Å; F353-A376 VanDerWaalsContact CD2-CB 3.41Å; F353-A376 HydrophobicContact CE2-CB 4.02Å; F353-A376 HydrophobicContact CG-CB 3.52Å; W374-A376 HydrophobicContact CZ3-CB 4.27Å; A376-T378 VanDerWaalsContact C-N 3.25Å; A376-Y381 HydrophobicContact CB-CD2 4.47Å; A376-K386 WeakPolarHBondContact CA-O 3.41Å
377	T	87.7	Confident	86.9	Confident	18 Å²	18	56.2 Å²	56.2	11%	0.11	29%	0.289	C	S	.	.	S	Bend	trans	-95.4	15.4	175.1	57.9	0	0	0	0	112.1	T339 A344 S347 P348 V350 K386	T339-T377 HydrophobicContact CG2-CG2 3.92Å; A344-T377 HydrophobicContact CB-CG2 3.46Å; A344-T377 VanDerWaalsContact CB-CG2 3.46Å; A344-T377 VanDerWaalsContact CB-OG1 3.26Å; A344-T377 WeakPolarHBondContact CB-OG1 3.37Å; S347-T377 WeakPolarHBondContact O-CG2 3.22Å; P348-T377 WeakPolarHBondContact O-CA 3.25Å; P348-T377 WeakPolarHBondContact O-CB 3.31Å; V350-T377 WeakPolarHBondContact CG2-O 3.03Å; T377-K386 PolarHBondContact N-O 2.91Å; T377-K386 VanDerWaalsContact N-O 3.12Å; T377-K386 WeakPolarHBondContact OG1-CB 3.4Å
378	T	88.6	Confident	87	Confident	31 Å²	31	56.1 Å²	56.1	19%	0.19	29%	0.288	C	S	.	.	S	Bend	trans	-142.2	163	179	54.1	0	0	0	0	109.1	F353 A376 N380 D384 K386	F353-T378 WeakPolarHBondContact CB-O 3.33Å; A376-T378 VanDerWaalsContact C-N 3.25Å; T378-N380 PolarHBondContact O-N 3.45Å; T378-D384 VanDerWaalsContact CB-OD2 3.22Å; T378-D384 WeakPolarHBondContact CB-OD2 3.47Å; T378-D384 HydrophobicContact CG2-CB 3.89Å; T378-D384 WeakPolarHBondContact OG1-CB 3.43Å; T378-D384 PolarHBondContact OG1-OD2 3.14Å; T378-K386 HydrophobicContact CG2-CB 3.94Å; T378-K386 HydrophobicContact CG2-CG 4.46Å
379	K	89.9	Confident	87.2	Confident	163 Å²	163	55.4 Å²	55.4	71%	0.709	29%	0.286	S	S	*	.	S	Bend	trans	-65.3	-25.3	-179.4	-69.6	-174.7	178.8	-178.4	0	113	V350 F353 T354	V350-K379 HydrophobicContact CG1-CB 4.47Å; V350-K379 HydrophobicContact CG1-CG 3.71Å; F353-K379 WeakPolarHBondContact CA-O 3.34Å; T354-K379 PolarHBondContact N-O 3.29Å
380	N	91.7	Very high	87.6	Confident	37 Å²	37	52 Å²	52	20%	0.198	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-139	105.3	-178.7	-167.6	-6.2	0	0	0	111.4	T354 T378 D382 D383 D384	T354-N380 PolarHBondContact O-OD1 2.96Å; T378-N380 PolarHBondContact O-N 3.45Å; N380-D382 VanDerWaalsContact C-N 3.27Å; N380-D382 PolarHBondContact O-N 2.61Å; N380-D382 WeakPolarHBondContact OD1-CB 3.48Å; N380-D382 PolarHBondContact OD1-N 2.86Å; N380-D383 HydrophobicContact CB-CB 4.36Å; N380-D383 VanDerWaalsContact ND2-CG 3.29Å; N380-D383 PolarHBondContact ND2-OD2 3.36Å; N380-D383 PolarHBondContact O-N 2.93Å; N380-D384 PolarHBondContact O-N 3.09Å; N380-D384 VanDerWaalsContact O-N 3.12Å
381	Y	91.6	Very high	88	Confident	12 Å²	12	50.1 Å²	50.1	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-35	175.3	177.7	-86.7	0	0	0	112	I35 F37 P38 T354 F355 W374 A376 D383 D384 R385 W387	I35-Y381 HydrophobicContact CD1-CE1 4.25Å; F37-Y381 AromaticContact CD1-CE2 3.94Å; F37-Y381 HydrophobicContact CD1-CE2 3.94Å; F37-Y381 AromaticContact CD1-CZ 3.75Å; F37-Y381 WeakPolarHBondContact CD1-OH 3.38Å; F37-Y381 HydrophobicContact CE1-CE1 4.49Å; F37-Y381 AromaticContact CE1-CE2 3.96Å; F37-Y381 HydrophobicContact CE1-CE2 3.96Å; F37-Y381 AromaticContact CE1-CZ 3.77Å; P38-Y381 VanDerWaalsContact CD-OH 3.29Å; P38-Y381 WeakPolarHBondContact CD-OH 3.48Å; T354-Y381 WeakPolarHBondContact O-CB 3.36Å; T354-Y381 PolarHBondContact O-N 3.12Å; F355-Y381 AromaticContact CD2-CD1 3.39Å; F355-Y381 HydrophobicContact CD2-CD1 3.39Å; F355-Y381 AromaticContact CD2-CE1 3.91Å; F355-Y381 HydrophobicContact CD2-CE1 3.91Å; F355-Y381 AromaticContact CD2-CG 3.94Å; F355-Y381 HydrophobicContact CD2-CG 3.94Å; F355-Y381 AromaticContact CE2-CD1 3.73Å; F355-Y381 HydrophobicContact CE2-CD1 3.73Å; F355-Y381 AromaticContact CE2-CE1 3.73Å; F355-Y381 HydrophobicContact CE2-CE1 3.73Å; W374-Y381 HydrophobicContact CH2-CD1 4.49Å; W374-Y381 AromaticContact CH2-CD2 3.85Å; W374-Y381 HydrophobicContact CH2-CD2 3.85Å; W374-Y381 HydrophobicContact CH2-CE2 4.22Å; W374-Y381 AromaticContact CH2-CG 3.98Å; W374-Y381 HydrophobicContact CH2-CG 3.98Å; W374-Y381 AromaticContact CZ3-CD2 3.68Å; W374-Y381 HydrophobicContact CZ3-CD2 3.68Å; W374-Y381 HydrophobicContact CZ3-CE2 4.04Å; W374-Y381 HydrophobicContact CZ3-CG 4.24Å; A376-Y381 HydrophobicContact CB-CD2 4.47Å; Y381-D383 PolarHBondContact O-N 3.04Å; Y381-D384 PolarHBondContact O-N 3.15Å; Y381-R385 VanDerWaalsContact O-CA 3.27Å; Y381-R385 WeakPolarHBondContact O-CA 3.28Å; Y381-R385 PolarHBondContact O-N 2.72Å; Y381-W387 HydrophobicContact CD2-CB 4.03Å; Y381-W387 HydrophobicContact CE2-CB 3.77Å; Y381-W387 AromaticContact CE2-CD1 3.91Å; Y381-W387 AromaticContact CE2-CG 3.91Å; Y381-W387 HydrophobicContact CE2-CG 3.91Å
382	D	89.8	Confident	88.4	Confident	58 Å²	58	50.8 Å²	50.8	31%	0.31	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-31.1	-174.9	-63.7	-27.1	0	0	0	111.6	L356 G357 N380	L356-D382 WeakPolarHBondContact CA-OD2 3.36Å; L356-D382 VanDerWaalsContact N-CG 3.31Å; L356-D382 PolarHBondContact N-OD1 3.22Å; L356-D382 PolarHBondContact N-OD2 2.79Å; G357-D382 PolarHBondContact N-OD2 2.65Å; G357-D382 VanDerWaalsContact N-OD2 3.11Å; N380-D382 VanDerWaalsContact C-N 3.27Å; N380-D382 PolarHBondContact O-N 2.61Å; N380-D382 WeakPolarHBondContact OD1-CB 3.48Å; N380-D382 PolarHBondContact OD1-N 2.86Å
383	D	91.1	Very high	88.6	Confident	122 Å²	122	53.2 Å²	53.2	65%	0.652	26%	0.258	S	S	*	.	H	α-helix	trans	-87.2	-53.2	177.7	-63.1	-28.6	0	0	0	111.7	N380 Y381	N380-D383 HydrophobicContact CB-CB 4.36Å; N380-D383 VanDerWaalsContact ND2-CG 3.29Å; N380-D383 PolarHBondContact ND2-OD2 3.36Å; N380-D383 PolarHBondContact O-N 2.93Å; Y381-D383 PolarHBondContact O-N 3.04Å
384	D	90.5	Very high	88.9	Confident	91 Å²	91	49.2 Å²	49.2	49%	0.487	24%	0.24	S	C	.	.	H	α-helix	trans	-91.9	-25.2	-166.5	-64.5	-39.6	0	0	0	113.7	T378 N380 Y381 K386	T378-D384 VanDerWaalsContact CB-OD2 3.22Å; T378-D384 WeakPolarHBondContact CB-OD2 3.47Å; T378-D384 HydrophobicContact CG2-CB 3.89Å; T378-D384 WeakPolarHBondContact OG1-CB 3.43Å; T378-D384 PolarHBondContact OG1-OD2 3.14Å; N380-D384 PolarHBondContact O-N 3.09Å; N380-D384 VanDerWaalsContact O-N 3.12Å; Y381-D384 PolarHBondContact O-N 3.15Å; D384-K386 PolarHBondContact O-N 3.35Å; D384-K386 VanDerWaalsContact O-N 3.12Å
385	R	90.3	Very high	89.2	Confident	158 Å²	158	50 Å²	50	60%	0.596	24%	0.243	S	C	*	.			trans	51.8	28.7	-176.2	-56.1	-173.6	176.5	-162.4	-2.4	114.7	P38 N343 Y381	P38-R385 HydrophobicContact CG-CB 4.23Å; N343-R385 PolarHBondContact ND2-O 3.28Å; Y381-R385 VanDerWaalsContact O-CA 3.27Å; Y381-R385 WeakPolarHBondContact O-CA 3.28Å; Y381-R385 PolarHBondContact O-N 2.72Å
386	K	89.7	Confident	89.5	Confident	91 Å²	91	50.2 Å²	50.2	40%	0.396	25%	0.245	S	C	.	.			trans	-96.1	123.9	177.1	-75.7	-64.4	-161.5	173.3	0	111	N343 A376 T377 T378 D384	N343-K386 PolarHBondContact O-NZ 3.31Å; N343-K386 WeakPolarHBondContact OD1-CA 3.37Å; A376-K386 WeakPolarHBondContact CA-O 3.41Å; T377-K386 PolarHBondContact N-O 2.91Å; T377-K386 VanDerWaalsContact N-O 3.12Å; T377-K386 WeakPolarHBondContact OG1-CB 3.4Å; T378-K386 HydrophobicContact CG2-CB 3.94Å; T378-K386 HydrophobicContact CG2-CG 4.46Å; D384-K386 PolarHBondContact O-N 3.35Å; D384-K386 VanDerWaalsContact O-N 3.12Å
387	W	89.2	Confident	89.8	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	161.8	-172.9	74.3	-68.6	0	0	0	112.4	F37 P38 D40 N343 A344 W374 C375 Y381 F389	F37-W387 HydrophobicContact CB-CD2 4.21Å; F37-W387 VanDerWaalsContact CB-CE2 3.45Å; F37-W387 HydrophobicContact CB-CH2 3.9Å; F37-W387 HydrophobicContact CB-CZ2 3.28Å; F37-W387 AromaticContact CD1-CD2 3.54Å; F37-W387 HydrophobicContact CD1-CD2 3.54Å; F37-W387 AromaticContact CD1-CE2 3.69Å; F37-W387 AromaticContact CD1-CE3 3.9Å; F37-W387 HydrophobicContact CD1-CE3 3.9Å; F37-W387 AromaticContact CD1-CG 3.88Å; F37-W387 HydrophobicContact CD1-CG 3.88Å; F37-W387 HydrophobicContact CD1-CH2 4.45Å; F37-W387 HydrophobicContact CD1-CZ2 4.16Å; F37-W387 HydrophobicContact CD1-CZ3 4.33Å; F37-W387 HydrophobicContact CE1-CD2 4.32Å; F37-W387 HydrophobicContact CE1-CE3 4.4Å; F37-W387 HydrophobicContact CG-CD2 4.15Å; F37-W387 AromaticContact CG-CE2 3.89Å; F37-W387 HydrophobicContact CG-CE3 4.4Å; F37-W387 HydrophobicContact CG-CH2 4.16Å; F37-W387 AromaticContact CG-CZ2 3.91Å; F37-W387 HydrophobicContact CG-CZ2 3.91Å; F37-W387 HydrophobicContact CG-CZ3 4.4Å; P38-W387 PolarHBondContact O-NE1 2.99Å; D40-W387 HydrophobicContact CB-CZ2 4.26Å; N343-W387 PolarHBondContact N-O 3.34Å; N343-W387 PolarHBondContact OD1-N 3.21Å; N343-W387 PolarHBondContact OD1-O 3.37Å; A344-W387 VanDerWaalsContact CB-O 3.32Å; A344-W387 WeakPolarHBondContact CB-O 3.44Å; A344-W387 PolarHBondContact N-O 2.97Å; W374-W387 HydrophobicContact CB-CE3 3.87Å; W374-W387 HydrophobicContact CB-CZ3 4.02Å; W374-W387 HydrophobicContact CD2-CE3 4.26Å; W374-W387 HydrophobicContact CE3-CB 3.74Å; W374-W387 HydrophobicContact CE3-CD2 4.49Å; W374-W387 HydrophobicContact CE3-CE3 4.04Å; W374-W387 HydrophobicContact CE3-CG 4.41Å; W374-W387 HydrophobicContact CG-CE3 4.2Å; W374-W387 HydrophobicContact CG-CZ3 4.49Å; W374-W387 HydrophobicContact CZ3-CB 3.82Å; C375-W387 WeakPolarHBondContact O-CA 3.39Å; C375-W387 WeakPolarHBondContact O-CB 3.48Å; Y381-W387 HydrophobicContact CD2-CB 4.03Å; Y381-W387 HydrophobicContact CE2-CB 3.77Å; Y381-W387 AromaticContact CE2-CD1 3.91Å; Y381-W387 AromaticContact CE2-CG 3.91Å; Y381-W387 HydrophobicContact CE2-CG 3.91Å; W387-F389 HydrophobicContact CH2-CD2 4.4Å; W387-F389 HydrophobicContact CH2-CE1 4.01Å; W387-F389 AromaticContact CH2-CE2 3.71Å; W387-F389 HydrophobicContact CH2-CE2 3.71Å; W387-F389 AromaticContact CH2-CZ 3.5Å; W387-F389 HydrophobicContact CH2-CZ 3.5Å; W387-F389 VanDerWaalsContact CH2-CZ 3.5Å; W387-F389 HydrophobicContact CZ3-CD1 4.01Å; W387-F389 HydrophobicContact CZ3-CD2 4.23Å; W387-F389 AromaticContact CZ3-CE1 3.7Å; W387-F389 HydrophobicContact CZ3-CE1 3.7Å; W387-F389 AromaticContact CZ3-CE2 3.94Å; W387-F389 HydrophobicContact CZ3-CE2 3.94Å; W387-F389 HydrophobicContact CZ3-CG 4.27Å; W387-F389 AromaticContact CZ3-CZ 3.67Å; W387-F389 HydrophobicContact CZ3-CZ 3.67Å
388	G	87.1	Confident	90.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	165.5	169.1	0	0	0	0	0	111.2	W374 C375	W374-G388 WeakPolarHBondContact CA-O 3.26Å; W374-G388 WeakPolarHBondContact CB-O 3.02Å; C375-G388 PolarHBondContact N-O 2.7Å; C375-G388 PolarHBondContact O-N 3.17Å
389	F	87.1	Confident	90.7	Very high	17 Å²	17	49.6 Å²	49.6	8%	0.075	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	141.6	173.1	-65.8	-74	0	0	0	109.7	T339 V340 K372 W374 W387	T339-F389 CarbonylContact C-O 2.75Å; T339-F389 WeakPolarHBondContact CA-O 3.21Å; T339-F389 WeakPolarHBondContact CB-O 3.26Å; V340-F389 PolarHBondContact N-O 3.41Å; V340-F389 WeakPolarHBondContact O-CA 3.31Å; V340-F389 VanDerWaalsContact O-CB 3.24Å; V340-F389 WeakPolarHBondContact O-CB 3.47Å; V340-F389 WeakPolarHBondContact O-CD2 3.46Å; V340-F389 PolarHBondContact O-N 3.07Å; K372-F389 HydrophobicContact CB-CD1 3.96Å; K372-F389 HydrophobicContact CB-CE1 3.68Å; K372-F389 HydrophobicContact CD-CD1 4.38Å; K372-F389 HydrophobicContact CD-CE1 3.85Å; K372-F389 HydrophobicContact CD-CZ 4.17Å; K372-F389 HydrophobicContact CG-CE1 4.41Å; W374-F389 HydrophobicContact CB-CD1 4.3Å; W387-F389 HydrophobicContact CH2-CD2 4.4Å; W387-F389 HydrophobicContact CH2-CE1 4.01Å; W387-F389 AromaticContact CH2-CE2 3.71Å; W387-F389 HydrophobicContact CH2-CE2 3.71Å; W387-F389 AromaticContact CH2-CZ 3.5Å; W387-F389 HydrophobicContact CH2-CZ 3.5Å; W387-F389 VanDerWaalsContact CH2-CZ 3.5Å; W387-F389 HydrophobicContact CZ3-CD1 4.01Å; W387-F389 HydrophobicContact CZ3-CD2 4.23Å; W387-F389 AromaticContact CZ3-CE1 3.7Å; W387-F389 HydrophobicContact CZ3-CE1 3.7Å; W387-F389 AromaticContact CZ3-CE2 3.94Å; W387-F389 HydrophobicContact CZ3-CE2 3.94Å; W387-F389 HydrophobicContact CZ3-CG 4.27Å; W387-F389 AromaticContact CZ3-CZ 3.67Å; W387-F389 HydrophobicContact CZ3-CZ 3.67Å
390	C	85.9	Confident	91.1	Very high	13 Å²	13	42.2 Å²	42.2	9%	0.088	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-72.4	140.7	169.6	-64.4	0	0	0	0	108.9	C363 M373 D392	C363-C390 HydrophobicContact CB-CB 3.79Å; C363-C390 WeakPolarHBondContact CB-SG 3.46Å; C363-C390 WeakPolarHBondContact SG-CB 3.35Å; C363-C390 CovalentContact SG-SG 2.01Å; C363-C390 PolarHBondContact SG-SG 3.1Å; M373-C390 PolarHBondContact O-N 2.89Å; C390-D392 PolarHBondContact O-N 3.2Å
391	P	83.8	Confident	91.4	Very high	37 Å²	37	40.4 Å²	40.4	24%	0.24	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-51.5	132.9	176.8	-27.7	35.3	0	0	0	111.3	S338 V340	S338-P391 WeakPolarHBondContact O-CD 3.34Å; V340-P391 HydrophobicContact CG2-CG 4.43Å
392	D	85.1	Confident	91.7	Very high	62 Å²	62	39.9 Å²	39.9	33%	0.332	20%	0.195	S	C	.	.			trans	-103.2	-165.9	174.8	54.4	36.8	0	0	0	109.7	K187 Q212 C390 G394	K187-D392 WeakPolarHBondContact CE-OD2 3.35Å; K187-D392 IonicContact NZ-OD1 3.54Å; K187-D392 IonicContact NZ-OD2 2.74Å; K187-D392 PolarHBondContact NZ-OD2 3.49Å; Q212-D392 PolarHBondContact NE2-O 2.81Å; Q212-D392 VanDerWaalsContact OE1-N 3.13Å; Q212-D392 PolarHBondContact OE1-OD1 2.94Å; C390-D392 PolarHBondContact O-N 3.2Å; D392-G394 PolarHBondContact O-N 2.88Å; D392-G394 WeakPolarHBondContact OD1-CA 3.43Å; D392-G394 PolarHBondContact OD1-N 2.91Å
393	Q	86.6	Confident	92.1	Very high	115 Å²	115	37.7 Å²	37.7	54%	0.537	18%	0.183	S	C	.	.	S	Bend	trans	-61.4	-24.1	176.2	-71.9	-177.6	-10.5	0	0	112.5	T214 G218	T214-Q393 WeakPolarHBondContact CG2-O 2.88Å; T214-Q393 PolarHBondContact OG1-O 3.4Å; G218-Q393 VanDerWaalsContact CA-O 3.29Å; G218-Q393 WeakPolarHBondContact CA-O 3.32Å; G218-Q393 PolarHBondContact N-O 3.44Å
394	G	91.4	Very high	92.4	Very high	7 Å²	7	32 Å²	32	7%	0.072	15%	0.152	C	C	.	.			trans	58.1	-164.5	-171.1	0	0	0	0	0	113.2	Q212 D392	Q212-G394 WeakPolarHBondContact O-CA 3.42Å; D392-G394 PolarHBondContact O-N 2.88Å; D392-G394 WeakPolarHBondContact OD1-CA 3.43Å; D392-G394 PolarHBondContact OD1-N 2.91Å
395	Y	95.3	Very high	92.8	Very high	18 Å²	18	27.6 Å²	27.6	7%	0.071	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.1	-176.9	-57.2	-75.3	0	0	0	110.8	P100 D188 L191 E211 Q212 T214 L397 Y425	P100-Y395 HydrophobicContact CB-CE1 3.57Å; P100-Y395 HydrophobicContact CG-CE1 3.71Å; P100-Y395 WeakPolarHBondContact CG-OH 3.15Å; D188-Y395 PolarHBondContact OD1-OH 3.37Å; L191-Y395 HydrophobicContact CD1-CD1 3.54Å; L191-Y395 HydrophobicContact CD1-CE1 3.99Å; L191-Y395 HydrophobicContact CD1-CG 3.92Å; L191-Y395 HydrophobicContact CD2-CD1 3.73Å; L191-Y395 HydrophobicContact CD2-CD2 3.57Å; L191-Y395 HydrophobicContact CD2-CE1 3.72Å; L191-Y395 HydrophobicContact CD2-CE2 3.55Å; L191-Y395 HydrophobicContact CD2-CG 3.66Å; L191-Y395 HydrophobicContact CG-CD1 4.31Å; L191-Y395 HydrophobicContact CG-CE1 4.5Å; L191-Y395 HydrophobicContact CG-CG 4.43Å; E211-Y395 HydrophobicContact CB-CD2 4.22Å; E211-Y395 HydrophobicContact CG-CD2 4.42Å; E211-Y395 VanDerWaalsContact OE2-CE2 3.22Å; E211-Y395 WeakPolarHBondContact OE2-CE2 3.29Å; Q212-Y395 PolarHBondContact O-N 2.92Å; T214-Y395 PolarHBondContact N-O 2.59Å; Y395-L397 PolarHBondContact O-N 3.18Å; Y395-Y425 AromaticContact CD1-CD1 3.57Å; Y395-Y425 HydrophobicContact CD1-CD1 3.57Å; Y395-Y425 HydrophobicContact CD1-CD2 4.4Å; Y395-Y425 AromaticContact CD1-CE1 3.57Å; Y395-Y425 HydrophobicContact CD1-CE1 3.57Å; Y395-Y425 HydrophobicContact CD1-CE2 4.41Å; Y395-Y425 AromaticContact CD1-CG 4Å; Y395-Y425 HydrophobicContact CD1-CG 4Å; Y395-Y425 AromaticContact CE1-CD1 3.89Å; Y395-Y425 HydrophobicContact CE1-CD1 3.89Å; Y395-Y425 HydrophobicContact CE1-CE1 4.17Å; Y395-Y425 HydrophobicContact CE1-CG 4.48Å
396	S	96.9	Very high	93.1	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.028	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	108.9	178.2	-172.7	0	0	0	0	109.8	T214 L215 F398 L399 V400 Y425	T214-S396 VanDerWaalsContact O-CA 3.32Å; T214-S396 WeakPolarHBondContact O-CA 3.45Å; L215-S396 WeakPolarHBondContact O-CB 3.33Å; L215-S396 PolarHBondContact O-OG 3.48Å; S396-F398 PolarHBondContact O-N 3.34Å; S396-F398 VanDerWaalsContact O-N 3.17Å; S396-L399 PolarHBondContact O-N 3.48Å; S396-V400 PolarHBondContact O-N 3.44Å; S396-Y425 PolarHBondContact N-OH 3.16Å
397	L	97.4	Very high	93.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.5	-34.5	177.1	-178.5	62.2	0	0	0	111.1	L135 I140 A143 F144 F173 F207 W213 T214 Y395 A401	L135-L397 HydrophobicContact CD1-CB 4.21Å; L135-L397 HydrophobicContact CD1-CD2 3.97Å; I140-L397 HydrophobicContact CB-CD2 4.28Å; I140-L397 HydrophobicContact CG1-CD2 4.02Å; I140-L397 HydrophobicContact CG2-CD2 4.03Å; A143-L397 HydrophobicContact CB-CD2 4.25Å; A143-L397 HydrophobicContact CB-CG 4.34Å; F144-L397 HydrophobicContact CE1-CD1 3.77Å; F144-L397 HydrophobicContact CE1-CD2 4.22Å; F144-L397 HydrophobicContact CE1-CG 4.02Å; F144-L397 HydrophobicContact CZ-CD1 4.02Å; F144-L397 HydrophobicContact CZ-CD2 4.11Å; F144-L397 HydrophobicContact CZ-CG 4.34Å; F173-L397 HydrophobicContact CE1-CD1 4.08Å; F173-L397 HydrophobicContact CZ-CD1 3.81Å; F173-L397 HydrophobicContact CZ-CD2 4.1Å; F207-L397 HydrophobicContact CD1-CD1 3.85Å; F207-L397 HydrophobicContact CE1-CD1 3.99Å; F207-L397 HydrophobicContact CG-CD1 4.45Å; W213-L397 HydrophobicContact CD2-CD1 4.08Å; W213-L397 HydrophobicContact CE3-CB 3.96Å; W213-L397 HydrophobicContact CE3-CD1 3.74Å; W213-L397 HydrophobicContact CE3-CG 4.47Å; W213-L397 HydrophobicContact CZ3-CD1 4.09Å; T214-L397 PolarHBondContact O-N 2.84Å; Y395-L397 PolarHBondContact O-N 3.18Å; L397-A401 WeakPolarHBondContact O-CB 3.34Å; L397-A401 PolarHBondContact O-N 3.18Å
398	F	97.6	Very high	93.6	Very high	26 Å²	26	16.1 Å²	16.1	11%	0.114	8%	0.084	C	C	.	.	H	α-helix	trans	-60.9	-48.2	175.2	164.3	-107.7	0	0	0	112.8	A143 R146 A147 V150 S396 A402 F431	A143-F398 HydrophobicContact CB-CB 4.41Å; R146-F398 HydrophobicContact CB-CD2 3.7Å; R146-F398 HydrophobicContact CB-CE2 3.66Å; A147-F398 HydrophobicContact CB-CD2 4.27Å; V150-F398 HydrophobicContact CG2-CE2 3.98Å; V150-F398 HydrophobicContact CG2-CZ 3.92Å; S396-F398 PolarHBondContact O-N 3.34Å; S396-F398 VanDerWaalsContact O-N 3.17Å; F398-A402 VanDerWaalsContact O-CB 3.27Å; F398-A402 WeakPolarHBondContact O-CB 3.48Å; F398-A402 PolarHBondContact O-N 3.25Å; F398-F431 HydrophobicContact CE1-CB 4.1Å; F398-F431 AromaticContact CE1-CD1 3.92Å; F398-F431 HydrophobicContact CE1-CD1 3.92Å; F398-F431 HydrophobicContact CE1-CG 4.17Å; F398-F431 AromaticContact CZ-CD1 3.88Å; F398-F431 HydrophobicContact CZ-CD1 3.88Å; F398-F431 HydrophobicContact CZ-CE1 4.48Å
399	L	97.4	Very high	94	Very high	9 Å²	9	16.1 Å²	16.1	5%	0.047	8%	0.084	C	C	.	.	H	α-helix	trans	-70.9	-45.8	-177.3	-66.8	177.1	0	0	0	111.5	S396 A402 H403 Y425 F427 F431	S396-L399 PolarHBondContact O-N 3.48Å; L399-A402 PolarHBondContact O-N 3.01Å; L399-H403 PolarHBondContact O-N 3.45Å; L399-Y425 HydrophobicContact CB-CE2 4.27Å; L399-Y425 HydrophobicContact CD1-CE2 4.37Å; L399-F427 HydrophobicContact CD1-CD2 3.88Å; L399-F427 HydrophobicContact CD1-CE2 4.46Å; L399-F431 HydrophobicContact CD2-CB 3.83Å; L399-F431 HydrophobicContact CD2-CD1 4.42Å; L399-F431 HydrophobicContact CD2-CD2 3.59Å; L399-F431 HydrophobicContact CD2-CE2 4.33Å; L399-F431 HydrophobicContact CD2-CG 3.66Å
400	V	98.1	Very high	94.2	Very high	8 Å²	8	15.8 Å²	15.8	5%	0.048	9%	0.085	C	C	.	.	H	α-helix	trans	-63.9	-45	179	-178.6	0	0	0	0	109.9	L191 A192 F207 W213 S396 A402 H403 E404 Y425	L191-V400 HydrophobicContact CB-CG1 4.2Å; L191-V400 HydrophobicContact CB-CG2 4.48Å; L191-V400 HydrophobicContact CD1-CG2 3.9Å; A192-V400 HydrophobicContact CB-CG1 3.55Å; F207-V400 HydrophobicContact CD1-CG1 4.18Å; F207-V400 HydrophobicContact CE1-CB 4.5Å; F207-V400 HydrophobicContact CE1-CG1 4.04Å; W213-V400 HydrophobicContact CH2-CB 4.18Å; W213-V400 HydrophobicContact CH2-CG1 3.9Å; W213-V400 HydrophobicContact CH2-CG2 4.32Å; W213-V400 HydrophobicContact CZ3-CB 3.82Å; W213-V400 HydrophobicContact CZ3-CG1 4.08Å; W213-V400 HydrophobicContact CZ3-CG2 3.84Å; S396-V400 PolarHBondContact O-N 3.44Å; V400-A402 VanDerWaalsContact C-N 3.33Å; V400-A402 PolarHBondContact O-N 3.32Å; V400-H403 WeakPolarHBondContact O-CB 3.31Å; V400-H403 PolarHBondContact O-N 2.87Å; V400-H403 VanDerWaalsContact O-N 3.16Å; V400-E404 HydrophobicContact CG1-CG 4.29Å; V400-E404 WeakPolarHBondContact O-CG 3.4Å; V400-E404 PolarHBondContact O-N 2.84Å; V400-Y425 HydrophobicContact CG2-CD2 3.82Å; V400-Y425 HydrophobicContact CG2-CE2 3.91Å
401	A	98.1	Very high	94.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.7	-37.8	176.5	0	0	0	0	0	112.9	F144 A147 F207 L397 H403 E404 F405	F144-A401 HydrophobicContact CD1-CB 3.57Å; F144-A401 HydrophobicContact CE1-CB 3.71Å; A147-A401 HydrophobicContact CB-CB 3.86Å; F207-A401 HydrophobicContact CE1-CB 3.83Å; F207-A401 HydrophobicContact CZ-CB 3.69Å; L397-A401 WeakPolarHBondContact O-CB 3.34Å; L397-A401 PolarHBondContact O-N 3.18Å; A401-H403 VanDerWaalsContact C-N 3.28Å; A401-H403 PolarHBondContact O-N 3.3Å; A401-E404 PolarHBondContact O-N 2.74Å; A401-F405 HydrophobicContact CB-CD2 4.47Å; A401-F405 HydrophobicContact CB-CE2 3.98Å; A401-F405 HydrophobicContact CB-CZ 4.09Å; A401-F405 VanDerWaalsContact O-CB 3.3Å; A401-F405 WeakPolarHBondContact O-CB 3.28Å; A401-F405 WeakPolarHBondContact O-CD2 3.45Å; A401-F405 WeakPolarHBondContact O-CG 3.48Å; A401-F405 PolarHBondContact O-N 3.27Å
402	A	97.9	Very high	94.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-40.6	176	0	0	0	0	0	111.2	A147 W151 F398 L399 V400 G406 L420	A147-A402 HydrophobicContact CB-CB 3.99Å; W151-A402 WeakPolarHBondContact CZ2-O 3.25Å; W151-A402 PolarHBondContact NE1-O 2.87Å; F398-A402 VanDerWaalsContact O-CB 3.27Å; F398-A402 WeakPolarHBondContact O-CB 3.48Å; F398-A402 PolarHBondContact O-N 3.25Å; L399-A402 PolarHBondContact O-N 3.01Å; V400-A402 VanDerWaalsContact C-N 3.33Å; V400-A402 PolarHBondContact O-N 3.32Å; A402-G406 PolarHBondContact O-N 3.06Å; A402-L420 HydrophobicContact CB-CD1 4.26Å; A402-L420 HydrophobicContact CB-CD2 3.66Å
403	H	97.9	Very high	95.2	Very high	12 Å²	12	17.7 Å²	17.7	6%	0.056	9%	0.088	C	C	.	.	H	α-helix	trans	-63.1	-53.3	174.2	-178.8	104.9	0	0	0	111.7	C102 L399 V400 A401 F405 G406 H407 H413 L420 A422	C102-H403 WeakPolarHBondContact CB-NE2 3.47Å; C102-H403 PolarHBondContact SG-NE2 3.39Å; L399-H403 PolarHBondContact O-N 3.45Å; V400-H403 WeakPolarHBondContact O-CB 3.31Å; V400-H403 PolarHBondContact O-N 2.87Å; V400-H403 VanDerWaalsContact O-N 3.16Å; A401-H403 VanDerWaalsContact C-N 3.28Å; A401-H403 PolarHBondContact O-N 3.3Å; H403-F405 VanDerWaalsContact C-N 3.29Å; H403-F405 PolarHBondContact O-N 2.84Å; H403-G406 WeakPolarHBondContact O-CA 3.47Å; H403-G406 PolarHBondContact O-N 3.34Å; H403-H407 AromaticContact CD2-CD2 3.77Å; H403-H407 AromaticContact CD2-NE2 3.77Å; H403-H407 AromaticContact NE2-CD2 3.7Å; H403-H407 AromaticContact NE2-NE2 3.18Å; H403-H407 PolarHBondContact NE2-NE2 2.95Å; H403-H407 VanDerWaalsContact NE2-NE2 3.18Å; H403-H407 PolarHBondContact O-N 3.4Å; H403-H413 AromaticContact CE1-CD2 3.61Å; H403-H413 AromaticContact CE1-NE2 3.71Å; H403-H413 AromaticContact NE2-CD2 3.51Å; H403-H413 AromaticContact NE2-NE2 3.25Å; H403-H413 PolarHBondContact NE2-NE2 3.21Å; H403-L420 HydrophobicContact CB-CD1 4.14Å; H403-L420 HydrophobicContact CB-CG 4.35Å; H403-L420 PolarHBondContact ND1-O 2.88Å; H403-A422 PolarHBondContact CE1-O 2.99Å; H403-A422 PolarHBondContact ND1-O 2.93Å
404	E	97.8	Very high	95.4	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-61.2	-37.2	-179.5	-64.4	-42.5	138.5	0	0	112.5	C102 A192 H193 A194 F207 V400 A401 G406 H407 A408	C102-E404 PolarHBondContact SG-OE1 3.22Å; C102-E404 VanDerWaalsContact SG-OE1 3.4Å; A192-E404 HydrophobicContact CB-CG 3.55Å; H193-E404 WeakPolarHBondContact CA-OE2 3.42Å; A194-E404 HydrophobicContact CB-CB 3.94Å; A194-E404 VanDerWaalsContact CB-O 3.31Å; A194-E404 WeakPolarHBondContact CB-O 3.25Å; A194-E404 PolarHBondContact N-OE2 3.05Å; F207-E404 HydrophobicContact CE1-CG 4.26Å; F207-E404 HydrophobicContact CZ-CB 4.36Å; F207-E404 HydrophobicContact CZ-CG 4.33Å; V400-E404 HydrophobicContact CG1-CG 4.29Å; V400-E404 WeakPolarHBondContact O-CG 3.4Å; V400-E404 PolarHBondContact O-N 2.84Å; A401-E404 PolarHBondContact O-N 2.74Å; E404-G406 PolarHBondContact O-N 3.33Å; E404-H407 WeakPolarHBondContact O-CA 3.45Å; E404-H407 WeakPolarHBondContact O-CB 3.37Å; E404-H407 PolarHBondContact O-N 3.47Å; E404-H407 IonicContact OE2-CD2 3.85Å; E404-A408 PolarHBondContact O-N 2.88Å
405	F	97.7	Very high	95.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.7	-27.5	174.1	-62.4	-19.7	0	0	0	112.3	F144 A147 F148 I169 V171 A401 H403 H407 A408 L409	F144-F405 HydrophobicContact CB-CE2 4.3Å; F144-F405 HydrophobicContact CB-CZ 4.28Å; F144-F405 HydrophobicContact CD1-CE2 4.13Å; F144-F405 AromaticContact CD1-CZ 3.7Å; F144-F405 HydrophobicContact CD1-CZ 3.7Å; F144-F405 HydrophobicContact CE1-CZ 4.38Å; F144-F405 HydrophobicContact CG-CZ 4.23Å; A147-F405 HydrophobicContact CB-CD2 3.68Å; A147-F405 HydrophobicContact CB-CE2 3.65Å; F148-F405 HydrophobicContact CD1-CB 4.31Å; F148-F405 AromaticContact CD1-CD2 3.64Å; F148-F405 HydrophobicContact CD1-CD2 3.64Å; F148-F405 HydrophobicContact CD1-CE2 4.11Å; F148-F405 AromaticContact CD1-CG 3.99Å; F148-F405 HydrophobicContact CD1-CG 3.99Å; F148-F405 AromaticContact CD2-CD2 3.94Å; F148-F405 HydrophobicContact CD2-CD2 3.94Å; F148-F405 AromaticContact CD2-CE2 3.53Å; F148-F405 HydrophobicContact CD2-CE2 3.53Å; F148-F405 HydrophobicContact CD2-CZ 4.12Å; F148-F405 HydrophobicContact CE1-CB 4.05Å; F148-F405 AromaticContact CE1-CD1 3.88Å; F148-F405 HydrophobicContact CE1-CD1 3.88Å; F148-F405 AromaticContact CE1-CD2 3.58Å; F148-F405 HydrophobicContact CE1-CD2 3.58Å; F148-F405 HydrophobicContact CE1-CE1 4.22Å; F148-F405 AromaticContact CE1-CE2 3.94Å; F148-F405 HydrophobicContact CE1-CE2 3.94Å; F148-F405 AromaticContact CE1-CG 3.56Å; F148-F405 HydrophobicContact CE1-CG 3.56Å; F148-F405 HydrophobicContact CE1-CZ 4.25Å; F148-F405 HydrophobicContact CE2-CD1 4.49Å; F148-F405 AromaticContact CE2-CD2 3.88Å; F148-F405 HydrophobicContact CE2-CD2 3.88Å; F148-F405 HydrophobicContact CE2-CE1 4.04Å; F148-F405 AromaticContact CE2-CE2 3.33Å; F148-F405 HydrophobicContact CE2-CE2 3.33Å; F148-F405 HydrophobicContact CE2-CG 4.43Å; F148-F405 AromaticContact CE2-CZ 3.43Å; F148-F405 HydrophobicContact CE2-CZ 3.43Å; F148-F405 VanDerWaalsContact CE2-CZ 3.43Å; F148-F405 AromaticContact CG-CD2 3.81Å; F148-F405 HydrophobicContact CG-CD2 3.81Å; F148-F405 AromaticContact CG-CE2 3.91Å; F148-F405 HydrophobicContact CG-CE2 3.91Å; F148-F405 AromaticContact CZ-CD1 3.75Å; F148-F405 HydrophobicContact CZ-CD1 3.75Å; F148-F405 AromaticContact CZ-CD2 3.7Å; F148-F405 HydrophobicContact CZ-CD2 3.7Å; F148-F405 AromaticContact CZ-CE1 3.61Å; F148-F405 HydrophobicContact CZ-CE1 3.61Å; F148-F405 AromaticContact CZ-CE2 3.55Å; F148-F405 HydrophobicContact CZ-CE2 3.55Å; F148-F405 AromaticContact CZ-CG 3.81Å; F148-F405 HydrophobicContact CZ-CG 3.81Å; F148-F405 AromaticContact CZ-CZ 3.51Å; F148-F405 HydrophobicContact CZ-CZ 3.51Å; I169-F405 HydrophobicContact CG2-CE1 4.49Å; V171-F405 HydrophobicContact CG2-CE1 3.93Å; V171-F405 HydrophobicContact CG2-CZ 4.18Å; A401-F405 HydrophobicContact CB-CD2 4.47Å; A401-F405 HydrophobicContact CB-CE2 3.98Å; A401-F405 HydrophobicContact CB-CZ 4.09Å; A401-F405 VanDerWaalsContact O-CB 3.3Å; A401-F405 WeakPolarHBondContact O-CB 3.28Å; A401-F405 WeakPolarHBondContact O-CD2 3.45Å; A401-F405 WeakPolarHBondContact O-CG 3.48Å; A401-F405 PolarHBondContact O-N 3.27Å; H403-F405 VanDerWaalsContact C-N 3.29Å; H403-F405 PolarHBondContact O-N 2.84Å; F405-H407 VanDerWaalsContact C-N 3.34Å; F405-A408 PolarHBondContact O-N 2.86Å; F405-L409 WeakPolarHBondContact O-CB 3.47Å; F405-L409 WeakPolarHBondContact O-CG 3.44Å; F405-L409 PolarHBondContact O-N 2.75Å
406	G	96.3	Very high	94.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.5	-44.2	168.5	0	0	0	0	0	111.9	A402 H403 E404 L409 G410 L411	A402-G406 PolarHBondContact O-N 3.06Å; H403-G406 WeakPolarHBondContact O-CA 3.47Å; H403-G406 PolarHBondContact O-N 3.34Å; E404-G406 PolarHBondContact O-N 3.33Å; G406-L409 PolarHBondContact O-N 3.12Å; G406-G410 PolarHBondContact O-N 3.05Å; G406-L411 VanDerWaalsContact O-CB 3.32Å; G406-L411 WeakPolarHBondContact O-CB 3.35Å; G406-L411 PolarHBondContact O-N 3.19Å
407	H	95.1	Very high	94.4	Very high	8 Å²	8	19.1 Å²	19.1	4%	0.037	10%	0.098	C	C	.	.	H	α-helix	trans	-63	-45.3	172.5	-73	-45.7	0	0	0	112.6	A194 H403 E404 F405 L409 G410 L411 H413 M421	A194-H407 HydrophobicContact CB-CB 3.96Å; H403-H407 AromaticContact CD2-CD2 3.77Å; H403-H407 AromaticContact CD2-NE2 3.77Å; H403-H407 AromaticContact NE2-CD2 3.7Å; H403-H407 AromaticContact NE2-NE2 3.18Å; H403-H407 PolarHBondContact NE2-NE2 2.95Å; H403-H407 VanDerWaalsContact NE2-NE2 3.18Å; H403-H407 PolarHBondContact O-N 3.4Å; E404-H407 WeakPolarHBondContact O-CA 3.45Å; E404-H407 WeakPolarHBondContact O-CB 3.37Å; E404-H407 PolarHBondContact O-N 3.47Å; E404-H407 IonicContact OE2-CD2 3.85Å; F405-H407 VanDerWaalsContact C-N 3.34Å; H407-L409 PolarHBondContact O-N 3.17Å; H407-L409 VanDerWaalsContact O-N 3.1Å; H407-G410 WeakPolarHBondContact O-CA 3.34Å; H407-G410 PolarHBondContact O-N 3.35Å; H407-L411 PolarHBondContact ND1-O 2.97Å; H407-H413 AromaticContact CE1-CD2 3.45Å; H407-H413 PolarHBondContact CE1-CD2 3.38Å; H407-H413 VanDerWaalsContact CE1-CD2 3.45Å; H407-H413 AromaticContact CE1-NE2 3.72Å; H407-H413 AromaticContact NE2-CD2 3.34Å; H407-H413 PolarHBondContact NE2-CD2 3.29Å; H407-H413 VanDerWaalsContact NE2-CD2 3.34Å; H407-H413 AromaticContact NE2-NE2 3.18Å; H407-H413 PolarHBondContact NE2-NE2 3.16Å; H407-H413 VanDerWaalsContact NE2-NE2 3.18Å; H407-M421 VanDerWaalsContact CE1-CE 3.42Å; H407-M421 WeakPolarHBondContact CE1-CE 3.47Å; H407-M421 WeakPolarHBondContact ND1-CE 3.21Å
408	A	95.6	Very high	94	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.4	-21.1	175.4	0	0	0	0	0	113.1	W119 I169 F195 P197 G203 E404 F405	W119-A408 PolarHBondContact NE1-O 3.11Å; I169-A408 HydrophobicContact CD1-CB 3.86Å; I169-A408 HydrophobicContact CG1-CB 4.23Å; F195-A408 WeakPolarHBondContact O-CA 3.2Å; P197-A408 WeakPolarHBondContact CD-O 3.31Å; P197-A408 VanDerWaalsContact CG-O 3.28Å; P197-A408 WeakPolarHBondContact CG-O 3.37Å; G203-A408 VanDerWaalsContact O-CB 3.25Å; G203-A408 WeakPolarHBondContact O-CB 3.34Å; E404-A408 PolarHBondContact O-N 2.88Å; F405-A408 PolarHBondContact O-N 2.86Å
409	L	95	Very high	93.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-9.4	173.2	-68.4	174.3	0	0	0	113.7	I124 W151 L157 F159 P197 F405 G406 H407 I441 Y445	I124-L409 HydrophobicContact CD1-CD2 3.55Å; W151-L409 HydrophobicContact CB-CD1 3.66Å; W151-L409 HydrophobicContact CD2-CD1 4.12Å; W151-L409 HydrophobicContact CG-CD1 3.59Å; L157-L409 HydrophobicContact CD1-CD1 4.16Å; L157-L409 HydrophobicContact CD1-CD2 3.61Å; L157-L409 HydrophobicContact CD1-CG 4.47Å; F159-L409 HydrophobicContact CE1-CD2 3.92Å; F159-L409 HydrophobicContact CZ-CD1 3.96Å; F159-L409 HydrophobicContact CZ-CD2 3.9Å; F159-L409 HydrophobicContact CZ-CG 4.44Å; P197-L409 VanDerWaalsContact CG-C 3.46Å; F405-L409 WeakPolarHBondContact O-CB 3.47Å; F405-L409 WeakPolarHBondContact O-CG 3.44Å; F405-L409 PolarHBondContact O-N 2.75Å; G406-L409 PolarHBondContact O-N 3.12Å; H407-L409 PolarHBondContact O-N 3.17Å; H407-L409 VanDerWaalsContact O-N 3.1Å; L409-I441 HydrophobicContact CB-CD1 3.84Å; L409-I441 HydrophobicContact CD1-CD1 3.95Å; L409-Y445 HydrophobicContact CB-CE2 4.18Å; L409-Y445 WeakPolarHBondContact O-CE2 3.25Å; L409-Y445 PolarHBondContact O-OH 3.45Å
410	G	91.4	Very high	93.6	Very high	11 Å²	11	18.9 Å²	18.9	11%	0.113	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	13.1	175.9	0	0	0	0	0	115	P117 P197 G406 H407	P117-G410 WeakPolarHBondContact O-CA 3.47Å; P197-G410 VanDerWaalsContact CD-CA 3.46Å; P197-G410 VanDerWaalsContact CD-N 3.35Å; G406-G410 PolarHBondContact O-N 3.05Å; H407-G410 WeakPolarHBondContact O-CA 3.34Å; H407-G410 PolarHBondContact O-N 3.35Å
411	L	92.3	Very high	93.4	Very high	17 Å²	17	18.7 Å²	18.7	9%	0.089	10%	0.099	C	C	.	.			trans	-75.3	151.1	168.5	-60.3	176.9	0	0	0	110.9	W151 G406 H407 M421 G440 I441 L444	W151-L411 HydrophobicContact CE3-CD1 4.3Å; W151-L411 HydrophobicContact CH2-CD1 3.3Å; W151-L411 HydrophobicContact CZ2-CD1 4.04Å; W151-L411 HydrophobicContact CZ3-CD1 3.45Å; W151-L411 VanDerWaalsContact CZ3-CD1 3.45Å; G406-L411 VanDerWaalsContact O-CB 3.32Å; G406-L411 WeakPolarHBondContact O-CB 3.35Å; G406-L411 PolarHBondContact O-N 3.19Å; H407-L411 PolarHBondContact ND1-O 2.97Å; L411-M421 HydrophobicContact CB-CE 4.03Å; L411-M421 HydrophobicContact CB-CG 4.18Å; L411-M421 HydrophobicContact CB-SD 4.29Å; L411-M421 HydrophobicContact CD1-CG 3.89Å; L411-M421 HydrophobicContact CD1-SD 4.16Å; L411-G440 VanDerWaalsContact CD2-C 3.48Å; L411-I441 HydrophobicContact CD1-CB 4.19Å; L411-I441 HydrophobicContact CD1-CD1 3.96Å; L411-I441 HydrophobicContact CD2-CB 4.29Å; L411-I441 HydrophobicContact CD2-CD1 4.17Å; L411-I441 HydrophobicContact CG-CD1 3.95Å; L411-L444 HydrophobicContact CD2-CD1 3.97Å
412	E	90.8	Very high	93.2	Very high	111 Å²	111	19.4 Å²	19.4	52%	0.519	11%	0.105	S	C	.	.			trans	-109.5	170.2	174.2	-63.9	-178.2	171.7	0	0	109.5	S414	E412-S414 PolarHBondContact O-N 3Å
413	H	92.7	Very high	93	Very high	23 Å²	23	19.7 Å²	19.7	11%	0.106	11%	0.106	C	C	.	.			trans	-60.7	135.5	176.3	-74	155.9	0	0	0	112.2	F80 R101 C102 V104 D106 H403 H407 M421	F80-H413 HydrophobicContact CZ-CB 3.92Å; R101-H413 PolarHBondContact NH2-CE1 3.1Å; R101-H413 VanDerWaalsContact NH2-CE1 3.27Å; C102-H413 WeakPolarHBondContact CB-NE2 3.23Å; C102-H413 PolarHBondContact SG-NE2 2.95Å; V104-H413 PolarHBondContact O-CE1 3.03Å; D106-H413 IonicContact OD1-CE1 3.13Å; D106-H413 IonicContact OD1-CG 3.56Å; D106-H413 IonicContact OD1-ND1 2.73Å; D106-H413 PolarHBondContact OD1-ND1 3.21Å; H403-H413 AromaticContact CE1-CD2 3.61Å; H403-H413 AromaticContact CE1-NE2 3.71Å; H403-H413 AromaticContact NE2-CD2 3.51Å; H403-H413 AromaticContact NE2-NE2 3.25Å; H403-H413 PolarHBondContact NE2-NE2 3.21Å; H407-H413 AromaticContact CE1-CD2 3.45Å; H407-H413 PolarHBondContact CE1-CD2 3.38Å; H407-H413 VanDerWaalsContact CE1-CD2 3.45Å; H407-H413 AromaticContact CE1-NE2 3.72Å; H407-H413 AromaticContact NE2-CD2 3.34Å; H407-H413 PolarHBondContact NE2-CD2 3.29Å; H407-H413 VanDerWaalsContact NE2-CD2 3.34Å; H407-H413 AromaticContact NE2-NE2 3.18Å; H407-H413 PolarHBondContact NE2-NE2 3.16Å; H407-H413 VanDerWaalsContact NE2-NE2 3.18Å; H413-M421 CarbonylContact C-O 3.59Å; H413-M421 VanDerWaalsContact CA-O 3.26Å; H413-M421 WeakPolarHBondContact CA-O 3.39Å; H413-M421 PolarHBondContact CD2-O 3.02Å
414	S	91.1	Very high	92.8	Very high	14 Å²	14	20.3 Å²	20.3	10%	0.098	11%	0.111	C	C	.	.			trans	-89	149.9	173.1	-172.2	0	0	0	0	111.6	F80 E412 D416 M421 D436	F80-S414 WeakPolarHBondContact CE1-O 3.19Å; F80-S414 VanDerWaalsContact CZ-O 3.31Å; F80-S414 WeakPolarHBondContact CZ-O 3.21Å; E412-S414 PolarHBondContact O-N 3Å; S414-D416 VanDerWaalsContact C-N 3.32Å; S414-D416 WeakPolarHBondContact OG-CB 3.1Å; S414-D416 PolarHBondContact OG-N 3.1Å; S414-M421 PolarHBondContact N-O 2.95Å; S414-D436 WeakPolarHBondContact CB-OD2 3.31Å; S414-D436 PolarHBondContact OG-OD2 3.12Å
415	Q	88.5	Confident	92.7	Very high	108 Å²	108	22.3 Å²	22.3	51%	0.505	12%	0.119	S	C	.	.	S	Bend	trans	-86.3	-8.6	168.7	-69.7	169.6	35.2	0	0	111.8	F80 P417	F80-Q415 HydrophobicContact CD1-CG 4.34Å; F80-Q415 HydrophobicContact CD2-CG 3.57Å; F80-Q415 HydrophobicContact CE1-CG 4.3Å; F80-Q415 HydrophobicContact CE2-CG 3.56Å; F80-Q415 HydrophobicContact CG-CG 3.97Å; F80-Q415 HydrophobicContact CZ-CG 3.92Å; Q415-P417 VanDerWaalsContact O-CD 3.27Å; Q415-P417 WeakPolarHBondContact O-CD 3.4Å
416	D	87.9	Confident	92.3	Very high	14 Å²	14	24 Å²	24	8%	0.075	13%	0.129	C	C	.	.			trans	-74.6	114.8	175.9	175.9	3.8	0	0	0	110	S414 G418 A419 S434 D436 T461	S414-D416 VanDerWaalsContact C-N 3.32Å; S414-D416 WeakPolarHBondContact OG-CB 3.1Å; S414-D416 PolarHBondContact OG-N 3.1Å; D416-G418 PolarHBondContact O-N 3.49Å; D416-G418 VanDerWaalsContact O-N 3.13Å; D416-G418 PolarHBondContact OD1-N 3.31Å; D416-A419 HydrophobicContact CB-CB 3.87Å; D416-A419 WeakPolarHBondContact O-CB 3.33Å; D416-A419 PolarHBondContact O-N 3.4Å; D416-A419 VanDerWaalsContact O-N 3.1Å; D416-S434 PolarHBondContact OD2-OG 3.19Å; D416-S434 VanDerWaalsContact OD2-OG 3.12Å; D416-D436 HydrophobicContact CB-CB 4.3Å; D416-T461 WeakPolarHBondContact OD1-CB 3.31Å; D416-T461 WeakPolarHBondContact OD1-CG2 3.45Å; D416-T461 PolarHBondContact OD1-OG1 2.54Å; D416-T461 PolarHBondContact OD2-OG1 3.12Å
417	P	86.9	Confident	92.1	Very high	38 Å²	38	25.1 Å²	25.1	25%	0.247	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.6	178.6	-22.2	35.7	0	0	0	114.5	Q415 P503 L505	Q415-P417 VanDerWaalsContact O-CD 3.27Å; Q415-P417 WeakPolarHBondContact O-CD 3.4Å; P417-P503 HydrophobicContact CG-CG 4.32Å; P417-P503 WeakPolarHBondContact CG-O 3.34Å; P417-L505 WeakPolarHBondContact O-CD1 3.15Å
418	G	88.4	Confident	91.7	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.031	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.9	176.9	0	0	0	0	0	114.8	D416 R488	D416-G418 PolarHBondContact O-N 3.49Å; D416-G418 VanDerWaalsContact O-N 3.13Å; D416-G418 PolarHBondContact OD1-N 3.31Å; G418-R488 PolarHBondContact O-NH1 2.05Å; G418-R488 VanDerWaalsContact O-NH1 3.16Å
419	A	91.4	Very high	91.2	Very high	8 Å²	8	30.8 Å²	30.8	7%	0.066	16%	0.16	C	C	.	.	S	Bend	trans	-74.1	143.2	178.7	0	0	0	0	0	111.2	D416 M421 A422 D436 D437	D416-A419 HydrophobicContact CB-CB 3.87Å; D416-A419 WeakPolarHBondContact O-CB 3.33Å; D416-A419 PolarHBondContact O-N 3.4Å; D416-A419 VanDerWaalsContact O-N 3.1Å; A419-M421 PolarHBondContact O-N 2.82Å; A419-A422 VanDerWaalsContact O-CB 3.27Å; A419-A422 WeakPolarHBondContact O-CB 3.41Å; A419-A422 PolarHBondContact O-N 2.68Å; A419-D436 HydrophobicContact CB-CB 4.44Å; A419-D437 WeakPolarHBondContact CA-OD2 3.43Å; A419-D437 WeakPolarHBondContact CB-OD1 3.34Å
420	L	94.6	Very high	90.7	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.099	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-39.5	168.8	174	62.5	0	0	0	109.8	V150 W151 A402 H403 A422 F431 L433 D437	V150-L420 HydrophobicContact CG1-CD2 4.43Å; W151-L420 HydrophobicContact CH2-CD2 4.18Å; W151-L420 HydrophobicContact CZ2-CD2 3.66Å; A402-L420 HydrophobicContact CB-CD1 4.26Å; A402-L420 HydrophobicContact CB-CD2 3.66Å; H403-L420 HydrophobicContact CB-CD1 4.14Å; H403-L420 HydrophobicContact CB-CG 4.35Å; H403-L420 PolarHBondContact ND1-O 2.88Å; L420-A422 PolarHBondContact O-N 2.8Å; L420-A422 VanDerWaalsContact O-N 3.14Å; L420-F431 HydrophobicContact CB-CE2 3.99Å; L420-F431 HydrophobicContact CB-CZ 3.95Å; L420-F431 HydrophobicContact CD1-CE2 3.83Å; L420-F431 HydrophobicContact CD1-CZ 3.99Å; L420-F431 HydrophobicContact CD2-CE2 4.39Å; L420-F431 HydrophobicContact CD2-CZ 3.72Å; L420-F431 HydrophobicContact CG-CE2 4.27Å; L420-F431 HydrophobicContact CG-CZ 4.09Å; L420-L433 HydrophobicContact CB-CD1 3.98Å; L420-L433 HydrophobicContact CD2-CD1 3.84Å; L420-D437 PolarHBondContact N-OD1 3.36Å; L420-D437 PolarHBondContact N-OD2 3.16Å
421	M	95	Very high	90.5	Very high	4 Å²	4	38 Å²	38	2%	0.02	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	9.1	178.5	-61.5	-52.1	-56.6	0	0	114.1	W151 H407 L411 H413 S414 A419 D437	W151-M421 HydrophobicContact CH2-CG 4.19Å; W151-M421 HydrophobicContact CH2-SD 4.08Å; W151-M421 HydrophobicContact CZ2-SD 3.95Å; H407-M421 VanDerWaalsContact CE1-CE 3.42Å; H407-M421 WeakPolarHBondContact CE1-CE 3.47Å; H407-M421 WeakPolarHBondContact ND1-CE 3.21Å; L411-M421 HydrophobicContact CB-CE 4.03Å; L411-M421 HydrophobicContact CB-CG 4.18Å; L411-M421 HydrophobicContact CB-SD 4.29Å; L411-M421 HydrophobicContact CD1-CG 3.89Å; L411-M421 HydrophobicContact CD1-SD 4.16Å; H413-M421 CarbonylContact C-O 3.59Å; H413-M421 VanDerWaalsContact CA-O 3.26Å; H413-M421 WeakPolarHBondContact CA-O 3.39Å; H413-M421 PolarHBondContact CD2-O 3.02Å; S414-M421 PolarHBondContact N-O 2.95Å; A419-M421 PolarHBondContact O-N 2.82Å; M421-D437 WeakPolarHBondContact CG-OD1 3.43Å; M421-D437 PolarHBondContact N-OD1 2.96Å
422	A	93.4	Very high	90.4	Very high	16 Å²	16	43.5 Å²	43.5	13%	0.132	21%	0.214	C	C	.	.			trans	-66.2	138.3	168.1	0	0	0	0	0	110	H403 A419 L420 V424	H403-A422 PolarHBondContact CE1-O 2.99Å; H403-A422 PolarHBondContact ND1-O 2.93Å; A419-A422 VanDerWaalsContact O-CB 3.27Å; A419-A422 WeakPolarHBondContact O-CB 3.41Å; A419-A422 PolarHBondContact O-N 2.68Å; L420-A422 PolarHBondContact O-N 2.8Å; L420-A422 VanDerWaalsContact O-N 3.14Å; A422-V424 PolarHBondContact O-N 2.83Å
423	P	93.8	Very high	90.4	Very high	5 Å²	5	39 Å²	39	3%	0.032	19%	0.193	C	C	.	.	S	Bend	trans	-68.3	-31.9	-172.1	23.1	-33.2	0	0	0	113.9	F80 F81 R101 C102	F80-P423 HydrophobicContact CE1-CG 3.65Å; F80-P423 HydrophobicContact CZ-CG 4.32Å; F81-P423 HydrophobicContact CE1-CG 3.78Å; F81-P423 HydrophobicContact CZ-CG 3.7Å; R101-P423 CarbonylContact C-O 3.5Å; R101-P423 WeakPolarHBondContact CA-O 3.44Å; R101-P423 WeakPolarHBondContact CB-O 3.4Å; C102-P423 PolarHBondContact N-O 2.84Å
424	V	93.8	Very high	90.3	Very high	25 Å²	25	38 Å²	38	15%	0.152	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-82.8	129.1	-176.1	170.1	0	0	0	0	109.9	F81 K99 A422 T426	F81-V424 HydrophobicContact CE1-CG2 3.59Å; F81-V424 HydrophobicContact CZ-CG2 4.14Å; K99-V424 HydrophobicContact CB-CG1 3.78Å; K99-V424 HydrophobicContact CB-CG2 4.5Å; K99-V424 HydrophobicContact CD-CG1 3.88Å; K99-V424 HydrophobicContact CG-CG1 4.46Å; A422-V424 PolarHBondContact O-N 2.83Å; V424-T426 PolarHBondContact O-N 2.82Å
425	Y	94.2	Very high	90.2	Very high	44 Å²	44	39.9 Å²	39.9	17%	0.173	20%	0.196	C	C	.	.			trans	-65.8	130	176.6	175.3	-97.4	0	0	0	110.8	P100 L191 Y395 S396 L399 V400 F427	P100-Y425 PolarHBondContact O-N 3.41Å; L191-Y425 HydrophobicContact CD1-CD2 3.9Å; L191-Y425 HydrophobicContact CD1-CG 3.74Å; Y395-Y425 AromaticContact CD1-CD1 3.57Å; Y395-Y425 HydrophobicContact CD1-CD1 3.57Å; Y395-Y425 HydrophobicContact CD1-CD2 4.4Å; Y395-Y425 AromaticContact CD1-CE1 3.57Å; Y395-Y425 HydrophobicContact CD1-CE1 3.57Å; Y395-Y425 HydrophobicContact CD1-CE2 4.41Å; Y395-Y425 AromaticContact CD1-CG 4Å; Y395-Y425 HydrophobicContact CD1-CG 4Å; Y395-Y425 AromaticContact CE1-CD1 3.89Å; Y395-Y425 HydrophobicContact CE1-CD1 3.89Å; Y395-Y425 HydrophobicContact CE1-CE1 4.17Å; Y395-Y425 HydrophobicContact CE1-CG 4.48Å; S396-Y425 PolarHBondContact N-OH 3.16Å; L399-Y425 HydrophobicContact CB-CE2 4.27Å; L399-Y425 HydrophobicContact CD1-CE2 4.37Å; V400-Y425 HydrophobicContact CG2-CD2 3.82Å; V400-Y425 HydrophobicContact CG2-CE2 3.91Å; Y425-F427 HydrophobicContact CE1-CB 4.12Å
426	T	90.4	Very high	90.3	Very high	36 Å²	36	37.7 Å²	37.7	22%	0.221	19%	0.188	C	C	.	.			trans	-135.7	119.2	170.3	-60.5	0	0	0	0	108.5	V424 T428 L505 T508	V424-T426 PolarHBondContact O-N 2.82Å; T426-T428 HydrophobicContact CG2-CG2 4.47Å; T426-T428 PolarHBondContact O-N 2.72Å; T426-L505 HydrophobicContact CG2-CB 4.17Å; T426-L505 HydrophobicContact CG2-CD1 3.78Å; T426-T508 WeakPolarHBondContact CG2-OG1 3.28Å
427	F	91.2	Very high	90.5	Very high	24 Å²	24	37.1 Å²	37.1	11%	0.105	19%	0.185	C	C	.	.			trans	-67.1	132.6	175.1	177.9	-114.7	0	0	0	110.3	G216 E217 L399 Y425 K429 A507 P511	G216-F427 VanDerWaalsContact CA-CE2 3.46Å; E217-F427 HydrophobicContact CG-CE1 3.67Å; E217-F427 HydrophobicContact CG-CE2 4.46Å; E217-F427 HydrophobicContact CG-CZ 3.44Å; E217-F427 VanDerWaalsContact CG-CZ 3.44Å; L399-F427 HydrophobicContact CD1-CD2 3.88Å; L399-F427 HydrophobicContact CD1-CE2 4.46Å; Y425-F427 HydrophobicContact CE1-CB 4.12Å; F427-K429 HydrophobicContact CE1-CB 4.34Å; F427-K429 HydrophobicContact CZ-CB 4.27Å; F427-A507 WeakPolarHBondContact O-CB 3.34Å; F427-P511 HydrophobicContact CD1-CB 3.92Å; F427-P511 HydrophobicContact CE1-CB 4.4Å
428	T	87	Confident	90.7	Very high	16 Å²	16	36.3 Å²	36.3	10%	0.098	18%	0.178	C	C	.	.			trans	-136.4	118.1	173.9	54.5	0	0	0	0	108.7	T426 L505 A507	T426-T428 HydrophobicContact CG2-CG2 4.47Å; T426-T428 PolarHBondContact O-N 2.72Å; T428-L505 HydrophobicContact CG2-CD1 4.31Å; T428-A507 HydrophobicContact CG2-CB 3.99Å
429	K	84.5	Confident	90.8	Very high	111 Å²	111	40.3 Å²	40.3	48%	0.483	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-54.3	-178.8	-173	-178.9	-168.4	112.3	0	111.5	E217 F427 F431	E217-K429 WeakPolarHBondContact OE1-CD 3.47Å; E217-K429 WeakPolarHBondContact OE1-CE 3.5Å; E217-K429 WeakPolarHBondContact OE1-CG 3.31Å; E217-K429 IonicContact OE1-NZ 2.74Å; E217-K429 PolarHBondContact OE1-NZ 2.94Å; E217-K429 IonicContact OE2-NZ 3.65Å; E217-K429 PolarHBondContact OE2-NZ 2.8Å; F427-K429 HydrophobicContact CE1-CB 4.34Å; F427-K429 HydrophobicContact CZ-CB 4.27Å; K429-F431 PolarHBondContact O-N 3.01Å
430	D	84.5	Confident	90.7	Very high	122 Å²	122	41 Å²	41	65%	0.652	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	69.2	177.5	-64.5	-42.3	0	0	0	111	R432	D430-R432 PolarHBondContact O-N 3.3Å
431	F	88.8	Confident	90.6	Very high	39 Å²	39	40.1 Å²	40.1	17%	0.171	20%	0.199	C	C	.	.			trans	-61	131.6	-177.7	173.9	-102	0	0	0	112.6	V150 F398 L399 L420 K429 L433	V150-F431 HydrophobicContact CG1-CE1 3.89Å; V150-F431 HydrophobicContact CG1-CZ 4.37Å; V150-F431 HydrophobicContact CG2-CD1 4.45Å; V150-F431 HydrophobicContact CG2-CE1 3.89Å; F398-F431 HydrophobicContact CE1-CB 4.1Å; F398-F431 AromaticContact CE1-CD1 3.92Å; F398-F431 HydrophobicContact CE1-CD1 3.92Å; F398-F431 HydrophobicContact CE1-CG 4.17Å; F398-F431 AromaticContact CZ-CD1 3.88Å; F398-F431 HydrophobicContact CZ-CD1 3.88Å; F398-F431 HydrophobicContact CZ-CE1 4.48Å; L399-F431 HydrophobicContact CD2-CB 3.83Å; L399-F431 HydrophobicContact CD2-CD1 4.42Å; L399-F431 HydrophobicContact CD2-CD2 3.59Å; L399-F431 HydrophobicContact CD2-CE2 4.33Å; L399-F431 HydrophobicContact CD2-CG 3.66Å; L420-F431 HydrophobicContact CB-CE2 3.99Å; L420-F431 HydrophobicContact CB-CZ 3.95Å; L420-F431 HydrophobicContact CD1-CE2 3.83Å; L420-F431 HydrophobicContact CD1-CZ 3.99Å; L420-F431 HydrophobicContact CD2-CE2 4.39Å; L420-F431 HydrophobicContact CD2-CZ 3.72Å; L420-F431 HydrophobicContact CG-CE2 4.27Å; L420-F431 HydrophobicContact CG-CZ 4.09Å; K429-F431 PolarHBondContact O-N 3.01Å; F431-L433 HydrophobicContact CZ-CB 4.43Å; F431-L433 HydrophobicContact CZ-CD1 4.04Å
432	R	89.1	Confident	90.4	Very high	134 Å²	134	42.6 Å²	42.6	51%	0.506	21%	0.211	S	C	.	.			trans	-137	133.5	170.5	-64.2	-175.6	67.7	-170	0.6	109.6	D430 S434 T456 P459	D430-R432 PolarHBondContact O-N 3.3Å; R432-S434 PolarHBondContact O-N 3.32Å; R432-T456 PolarHBondContact NH2-OG1 2.99Å; R432-P459 HydrophobicContact CB-CG 4.46Å
433	L	90.7	Very high	90.2	Very high	17 Å²	17	47 Å²	47	9%	0.089	23%	0.229	C	C	.	.			trans	-64	129.4	178.1	-163.6	64.1	0	0	0	110.6	V150 W151 V154 L420 F431 D437 I438 P459	V150-L433 HydrophobicContact CG1-CB 4.34Å; V150-L433 HydrophobicContact CG1-CD1 3.74Å; V150-L433 HydrophobicContact CG1-CD2 3.97Å; V150-L433 HydrophobicContact CG1-CG 4.24Å; W151-L433 HydrophobicContact CE3-CD2 4.21Å; W151-L433 HydrophobicContact CH2-CD1 3.95Å; W151-L433 HydrophobicContact CZ3-CD1 4.02Å; W151-L433 HydrophobicContact CZ3-CD2 4.03Å; V154-L433 HydrophobicContact CG1-CD2 4.35Å; V154-L433 HydrophobicContact CG2-CD2 3.75Å; L420-L433 HydrophobicContact CB-CD1 3.98Å; L420-L433 HydrophobicContact CD2-CD1 3.84Å; F431-L433 HydrophobicContact CZ-CB 4.43Å; F431-L433 HydrophobicContact CZ-CD1 4.04Å; L433-D437 HydrophobicContact CD1-CB 3.52Å; L433-D437 HydrophobicContact CD2-CB 4.38Å; L433-D437 HydrophobicContact CG-CB 3.71Å; L433-I438 HydrophobicContact CB-CG1 4.34Å; L433-I438 HydrophobicContact CD2-CG1 3.73Å; L433-I438 HydrophobicContact CG-CG1 3.97Å; L433-P459 VanDerWaalsContact O-CD 3.22Å; L433-P459 WeakPolarHBondContact O-CD 3.32Å
434	S	91.5	Very high	90	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	23%	0.233	C	C	.	.			trans	-67.3	158.2	-177.8	-176.9	0	0	0	0	111.4	D416 R432 D436 D437 I438 P459	D416-S434 PolarHBondContact OD2-OG 3.19Å; D416-S434 VanDerWaalsContact OD2-OG 3.12Å; R432-S434 PolarHBondContact O-N 3.32Å; S434-D436 PolarHBondContact O-N 2.69Å; S434-D436 PolarHBondContact OG-N 3Å; S434-D437 VanDerWaalsContact CB-OD2 3.25Å; S434-D437 WeakPolarHBondContact CB-OD2 3.4Å; S434-D437 PolarHBondContact N-OD2 3.17Å; S434-D437 VanDerWaalsContact N-OD2 3.1Å; S434-D437 PolarHBondContact O-N 3.33Å; S434-I438 VanDerWaalsContact O-CG1 3.28Å; S434-I438 WeakPolarHBondContact O-CG1 3.29Å; S434-I438 PolarHBondContact O-N 3.3Å; S434-I438 VanDerWaalsContact O-N 3.08Å; S434-P459 PolarHBondContact OG-O 3.43Å
435	H	89.4	Confident	89.9	Confident	53 Å²	53	47.5 Å²	47.5	25%	0.245	23%	0.229	C	C	.	.	H	α-helix	trans	-54.1	-40.4	168.9	-174.7	53.7	0	0	0	112.3	I438 Q439 Q457 P459 V460	H435-I438 PolarHBondContact O-N 3.48Å; H435-Q439 WeakPolarHBondContact O-CB 3.31Å; H435-Q439 PolarHBondContact O-N 2.93Å; H435-Q457 WeakPolarHBondContact CA-O 3.48Å; H435-Q457 WeakPolarHBondContact CB-O 3.32Å; H435-Q457 VanDerWaalsContact CG-O 3.25Å; H435-Q457 PolarHBondContact ND1-O 2.89Å; H435-P459 PolarHBondContact N-O 3.34Å; H435-V460 HydrophobicContact CB-CG2 3.96Å
436	D	89.8	Confident	89.6	Confident	63 Å²	63	46.8 Å²	46.8	34%	0.337	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-47.3	-179.6	-174.9	70.1	0	0	0	111.8	S414 D416 A419 S434 I438 Q439 G440	S414-D436 WeakPolarHBondContact CB-OD2 3.31Å; S414-D436 PolarHBondContact OG-OD2 3.12Å; D416-D436 HydrophobicContact CB-CB 4.3Å; A419-D436 HydrophobicContact CB-CB 4.44Å; S434-D436 PolarHBondContact O-N 2.69Å; S434-D436 PolarHBondContact OG-N 3Å; D436-I438 PolarHBondContact O-N 3.1Å; D436-Q439 PolarHBondContact O-N 3.21Å; D436-G440 PolarHBondContact O-N 2.81Å
437	D	92.5	Very high	89.4	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.011	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-44.3	176.8	-56.6	-57.1	0	0	0	111.7	W151 A419 L420 M421 L433 S434 Q439 G440 I441	W151-D437 HydrophobicContact CH2-CB 4.21Å; W151-D437 HydrophobicContact CZ3-CB 4.25Å; A419-D437 WeakPolarHBondContact CA-OD2 3.43Å; A419-D437 WeakPolarHBondContact CB-OD1 3.34Å; L420-D437 PolarHBondContact N-OD1 3.36Å; L420-D437 PolarHBondContact N-OD2 3.16Å; M421-D437 WeakPolarHBondContact CG-OD1 3.43Å; M421-D437 PolarHBondContact N-OD1 2.96Å; L433-D437 HydrophobicContact CD1-CB 3.52Å; L433-D437 HydrophobicContact CD2-CB 4.38Å; L433-D437 HydrophobicContact CG-CB 3.71Å; S434-D437 VanDerWaalsContact CB-OD2 3.25Å; S434-D437 WeakPolarHBondContact CB-OD2 3.4Å; S434-D437 PolarHBondContact N-OD2 3.17Å; S434-D437 VanDerWaalsContact N-OD2 3.1Å; S434-D437 PolarHBondContact O-N 3.33Å; D437-Q439 VanDerWaalsContact C-N 3.34Å; D437-Q439 PolarHBondContact O-N 2.77Å; D437-G440 PolarHBondContact O-N 3.18Å; D437-I441 WeakPolarHBondContact O-CG2 3.26Å; D437-I441 PolarHBondContact O-N 2.8Å
438	I	90.9	Very high	88.9	Confident	20 Å²	20	48.4 Å²	48.4	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-45.5	178.8	-67.5	169.1	0	0	0	109.9	V154 L433 S434 H435 D436 I441 Q442	V154-I438 HydrophobicContact CG1-CD1 4.49Å; V154-I438 HydrophobicContact CG1-CG1 4.22Å; L433-I438 HydrophobicContact CB-CG1 4.34Å; L433-I438 HydrophobicContact CD2-CG1 3.73Å; L433-I438 HydrophobicContact CG-CG1 3.97Å; S434-I438 VanDerWaalsContact O-CG1 3.28Å; S434-I438 WeakPolarHBondContact O-CG1 3.29Å; S434-I438 PolarHBondContact O-N 3.3Å; S434-I438 VanDerWaalsContact O-N 3.08Å; H435-I438 PolarHBondContact O-N 3.48Å; D436-I438 PolarHBondContact O-N 3.1Å; I438-I441 WeakPolarHBondContact O-CG2 3.41Å; I438-Q442 HydrophobicContact CG2-CG 4.31Å; I438-Q442 WeakPolarHBondContact O-CB 3.39Å; I438-Q442 WeakPolarHBondContact O-CG 3.3Å; I438-Q442 PolarHBondContact O-N 3.19Å
439	Q	89.8	Confident	88.2	Confident	88 Å²	88	53.2 Å²	53.2	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-50.6	176.9	179.7	179.6	-6.9	0	0	110.4	H435 D436 D437 I441 Q442 E443	H435-Q439 WeakPolarHBondContact O-CB 3.31Å; H435-Q439 PolarHBondContact O-N 2.93Å; D436-Q439 PolarHBondContact O-N 3.21Å; D437-Q439 VanDerWaalsContact C-N 3.34Å; D437-Q439 PolarHBondContact O-N 2.77Å; Q439-I441 VanDerWaalsContact C-N 3.34Å; Q439-I441 PolarHBondContact O-N 2.78Å; Q439-Q442 PolarHBondContact O-N 3.45Å; Q439-E443 HydrophobicContact CG-CG 4.33Å; Q439-E443 WeakPolarHBondContact CG-OE1 3.32Å; Q439-E443 PolarHBondContact NE2-OE1 2.83Å; Q439-E443 WeakPolarHBondContact O-CB 3.49Å; Q439-E443 WeakPolarHBondContact O-CG 3.21Å; Q439-E443 PolarHBondContact O-N 2.92Å
440	G	90.6	Very high	87.4	Confident	23 Å²	23	55.1 Å²	55.1	24%	0.237	29%	0.292	C	S	.	.	H	α-helix	trans	-56.5	-46.3	-178.8	0	0	0	0	0	112.6	L411 D436 D437 L444	L411-G440 VanDerWaalsContact CD2-C 3.48Å; D436-G440 PolarHBondContact O-N 2.81Å; D437-G440 PolarHBondContact O-N 3.18Å; G440-L444 PolarHBondContact O-N 3.13Å
441	I	91.9	Very high	86.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-74.2	-35.1	-178.5	-161.1	70.6	0	0	0	112.5	W151 V154 T155 L409 L411 D437 I438 Q439 L444 Y445	W151-I441 HydrophobicContact CE3-CB 4.02Å; W151-I441 HydrophobicContact CE3-CD1 4.26Å; W151-I441 HydrophobicContact CE3-CG1 3.89Å; W151-I441 HydrophobicContact CE3-CG2 4.06Å; W151-I441 HydrophobicContact CZ3-CB 3.99Å; W151-I441 HydrophobicContact CZ3-CG1 4.32Å; W151-I441 HydrophobicContact CZ3-CG2 4.13Å; V154-I441 HydrophobicContact CG2-CG2 3.82Å; T155-I441 HydrophobicContact CG2-CB 4.21Å; T155-I441 HydrophobicContact CG2-CG1 3.48Å; T155-I441 VanDerWaalsContact CG2-CG1 3.48Å; T155-I441 HydrophobicContact CG2-CG2 3.74Å; L409-I441 HydrophobicContact CB-CD1 3.84Å; L409-I441 HydrophobicContact CD1-CD1 3.95Å; L411-I441 HydrophobicContact CD1-CB 4.19Å; L411-I441 HydrophobicContact CD1-CD1 3.96Å; L411-I441 HydrophobicContact CD2-CB 4.29Å; L411-I441 HydrophobicContact CD2-CD1 4.17Å; L411-I441 HydrophobicContact CG-CD1 3.95Å; D437-I441 WeakPolarHBondContact O-CG2 3.26Å; D437-I441 PolarHBondContact O-N 2.8Å; I438-I441 WeakPolarHBondContact O-CG2 3.41Å; Q439-I441 VanDerWaalsContact C-N 3.34Å; Q439-I441 PolarHBondContact O-N 2.78Å; I441-L444 PolarHBondContact O-N 3.29Å; I441-Y445 HydrophobicContact CD1-CD2 3.65Å; I441-Y445 HydrophobicContact CD1-CE2 3.7Å; I441-Y445 HydrophobicContact CG1-CD2 3.98Å; I441-Y445 PolarHBondContact O-N 3.04Å
442	Q	90.8	Very high	84.7	Confident	56 Å²	56	57.7 Å²	57.7	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-73.3	-29.1	177	-71.2	178.3	-4.4	0	0	112.4	V154 I438 Q439 L444 G446 V447	V154-Q442 WeakPolarHBondContact O-CG 3.29Å; V154-Q442 PolarHBondContact O-NE2 3.04Å; I438-Q442 HydrophobicContact CG2-CG 4.31Å; I438-Q442 WeakPolarHBondContact O-CB 3.39Å; I438-Q442 WeakPolarHBondContact O-CG 3.3Å; I438-Q442 PolarHBondContact O-N 3.19Å; Q439-Q442 PolarHBondContact O-N 3.45Å; Q442-L444 PolarHBondContact O-N 3.1Å; Q442-G446 WeakPolarHBondContact O-CA 3.27Å; Q442-G446 PolarHBondContact O-N 2.65Å; Q442-V447 HydrophobicContact CG-CG1 4.3Å
443	E	89.8	Confident	83	Confident	109 Å²	109	57.5 Å²	57.5	51%	0.509	32%	0.318	S	S	.	.	H	α-helix	trans	-60.6	-34.3	169.2	-79.8	-176.9	-164.1	0	0	111.6	R116 Q439	R116-E443 IonicContact NH1-OE2 2.72Å; R116-E443 PolarHBondContact NH1-OE2 3.17Å; Q439-E443 HydrophobicContact CG-CG 4.33Å; Q439-E443 WeakPolarHBondContact CG-OE1 3.32Å; Q439-E443 PolarHBondContact NE2-OE1 2.83Å; Q439-E443 WeakPolarHBondContact O-CB 3.49Å; Q439-E443 WeakPolarHBondContact O-CG 3.21Å; Q439-E443 PolarHBondContact O-N 2.92Å
444	L	89.6	Confident	81.1	Confident	22 Å²	22	60.3 Å²	60.3	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-79.6	-52.9	176.2	-65.4	177.5	0	0	0	111.8	R116 K118 L411 G440 I441 Q442	R116-L444 HydrophobicContact CB-CD2 4.31Å; K118-L444 HydrophobicContact CD-CB 4.49Å; K118-L444 VanDerWaalsContact CD-O 3.31Å; K118-L444 WeakPolarHBondContact CD-O 3.45Å; K118-L444 WeakPolarHBondContact CE-O 3.42Å; K118-L444 HydrophobicContact CG-CB 4.39Å; K118-L444 PolarHBondContact NZ-O 2.61Å; L411-L444 HydrophobicContact CD2-CD1 3.97Å; G440-L444 PolarHBondContact O-N 3.13Å; I441-L444 PolarHBondContact O-N 3.29Å; Q442-L444 PolarHBondContact O-N 3.1Å
445	Y	90.6	Very high	79.1	Confident	17 Å²	17	66.7 Å²	66.7	7%	0.067	38%	0.379	C	S	.	.	H	α-helix	trans	-109.6	-11.5	-165.4	-63.7	-78.4	0	0	0	115.4	K118 W119 P156 L157 L409 I441	K118-Y445 HydrophobicContact CD-CD1 4.4Å; K118-Y445 HydrophobicContact CD-CE1 4.13Å; K118-Y445 VanDerWaalsContact CE-CD1 3.41Å; K118-Y445 VanDerWaalsContact CE-CE1 3.49Å; K118-Y445 HydrophobicContact CG-CD1 4.19Å; K118-Y445 HydrophobicContact CG-CE1 3.48Å; K118-Y445 VanDerWaalsContact CG-CE1 3.48Å; K118-Y445 HydrophobicContact CG-CE2 4.27Å; W119-Y445 HydrophobicContact CB-CE1 4.11Å; W119-Y445 PolarHBondContact N-OH 3.11Å; P156-Y445 WeakPolarHBondContact CG-O 3.31Å; L157-Y445 HydrophobicContact CD1-CD1 3.97Å; L157-Y445 HydrophobicContact CD1-CD2 3.89Å; L157-Y445 HydrophobicContact CD1-CE1 4.14Å; L157-Y445 HydrophobicContact CD1-CE2 4.07Å; L157-Y445 HydrophobicContact CD1-CG 3.84Å; L157-Y445 HydrophobicContact CD2-CD1 3.58Å; L157-Y445 HydrophobicContact CD2-CE1 3.91Å; L157-Y445 HydrophobicContact CD2-CG 4.15Å; L157-Y445 HydrophobicContact CG-CD1 4.02Å; L157-Y445 HydrophobicContact CG-CG 4.06Å; L409-Y445 HydrophobicContact CB-CE2 4.18Å; L409-Y445 WeakPolarHBondContact O-CE2 3.25Å; L409-Y445 PolarHBondContact O-OH 3.45Å; I441-Y445 HydrophobicContact CD1-CD2 3.65Å; I441-Y445 HydrophobicContact CD1-CE2 3.7Å; I441-Y445 HydrophobicContact CG1-CD2 3.98Å; I441-Y445 PolarHBondContact O-N 3.04Å
446	G	88.3	Confident	77.4	Confident	30 Å²	30	67.9 Å²	67.9	31%	0.309	39%	0.39	S	S	.	.			trans	81.1	177.1	-174.2	0	0	0	0	0	113.4	P156 Q442	P156-G446 WeakPolarHBondContact CD-O 3.35Å; Q442-G446 WeakPolarHBondContact O-CA 3.27Å; Q442-G446 PolarHBondContact O-N 2.65Å
447	V	86.7	Confident	76.2	Confident	76 Å²	76	71.7 Å²	71.7	46%	0.461	41%	0.405	S	S	.	.			trans	-83.8	152.9	178	-63.2	0	0	0	0	111.9	Q442 T449	Q442-V447 HydrophobicContact CG-CG1 4.3Å; V447-T449 PolarHBondContact O-N 3.31Å
448	P	81.1	Confident	75.2	Confident	17 Å²	17	72.3 Å²	72.3	11%	0.11	41%	0.412	C	S	.	.			trans	-62.4	131.8	171.7	-16.7	29.1	0	0	0	110.9	V154 K451	V154-P448 WeakPolarHBondContact O-CD 3.48Å; P448-K451 HydrophobicContact CB-CB 4.34Å
449	T	71.6	Confident	74.7	Confident	118 Å²	118	72.7 Å²	72.7	72%	0.724	42%	0.416	S	S	*	.	S	Bend	trans	-88.9	-22.2	176.3	50.9	0	0	0	0	113.3	V447	V447-T449 PolarHBondContact O-N 3.31Å
450	D	68.1	Low	74.3	Confident	151 Å²	151	72.8 Å²	72.8	81%	0.807	42%	0.422	S	S	*	.	S	Bend	trans	-111.7	-8.3	-163.6	-55.5	-15	0	0	0	113.2
451	K	60.6	Low	73.8	Confident	93 Å²	93	72.2 Å²	72.2	40%	0.404	41%	0.414	S	S	.	.	S	Bend	trans	-104	137.4	174.6	-66.7	179.8	179.9	174.9	0	108.9	S152 D153 P448 L453	S152-K451 PolarHBondContact O-NZ 3.08Å; D153-K451 IonicContact OD1-NZ 3.45Å; D153-K451 PolarHBondContact OD1-NZ 2.99Å; P448-K451 HydrophobicContact CB-CB 4.34Å; K451-L453 PolarHBondContact O-N 3.13Å
452	P	55.1	Low	73.3	Confident	122 Å²	122	73.4 Å²	73.4	79%	0.792	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-55.3	126.7	169.7	23	-31.1	0	0	0	108.6	P454	P452-P454 WeakPolarHBondContact O-CD 3.36Å; P452-P454 VanDerWaalsContact O-N 3.17Å
453	L	52.9	Low	72.4	Confident	130 Å²	130	75.1 Å²	75.1	68%	0.681	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-50.1	122.2	-179.8	-72.5	162.6	0	0	0	109	K451	K451-L453 PolarHBondContact O-N 3.13Å
454	P	52.3	Low	71.8	Confident	76 Å²	76	72 Å²	72	49%	0.494	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-56.6	133.1	168.9	-9.9	18.1	0	0	0	108.1	P452 T456	P452-P454 WeakPolarHBondContact O-CD 3.36Å; P452-P454 VanDerWaalsContact O-N 3.17Å; P454-T456 PolarHBondContact O-N 2.91Å
455	P	48.4	Very low	71.3	Confident	134 Å²	134	71.1 Å²	71.1	87%	0.87	41%	0.414	S	S	*	.	S	Bend	trans	-72.1	17.7	-173.4	27.1	-34.2	0	0	0	115.1
456	T	54.5	Low	70.6	Confident	78 Å²	78	72.8 Å²	72.8	48%	0.479	43%	0.427	S	S	.	.			trans	-138	126.9	-179.5	53.3	0	0	0	0	111.3	R432 P454 G458	R432-T456 PolarHBondContact NH2-OG1 2.99Å; P454-T456 PolarHBondContact O-N 2.91Å; T456-G458 PolarHBondContact O-N 3.48Å
457	Q	65	Low	70	Confident	143 Å²	143	78.9 Å²	78.9	67%	0.668	45%	0.445	S	S	*	.			trans	-62.4	22.2	169.8	-75.3	178.3	-17.9	0	0	113.5	H435	H435-Q457 WeakPolarHBondContact CA-O 3.48Å; H435-Q457 WeakPolarHBondContact CB-O 3.32Å; H435-Q457 VanDerWaalsContact CG-O 3.25Å; H435-Q457 PolarHBondContact ND1-O 2.89Å
458	G	70.3	Confident	69.3	Low	15 Å²	15	80.7 Å²	80.7	16%	0.155	45%	0.452	C	S	.	.			trans	69.3	170.5	-166.2	0	0	0	0	0	112.5	T456	T456-G458 PolarHBondContact O-N 3.48Å
459	P	80.4	Confident	68.8	Low	28 Å²	28	84.9 Å²	84.9	18%	0.182	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-67	141.1	167.1	28.4	-28.5	0	0	0	110.1	R432 L433 S434 H435	R432-P459 HydrophobicContact CB-CG 4.46Å; L433-P459 VanDerWaalsContact O-CD 3.22Å; L433-P459 WeakPolarHBondContact O-CD 3.32Å; S434-P459 PolarHBondContact OG-O 3.43Å; H435-P459 PolarHBondContact N-O 3.34Å
460	V	82.5	Confident	69.2	Low	90 Å²	90	80.4 Å²	80.4	55%	0.545	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-103.9	130.6	178.6	179.2	0	0	0	0	109	H435	H435-V460 HydrophobicContact CB-CG2 3.96Å
461	T	80.3	Confident	70	Confident	11 Å²	11	77.3 Å²	77.3	7%	0.067	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-79.1	127.4	177	-55.5	0	0	0	0	111.3	D416 M463 F489 P503	D416-T461 WeakPolarHBondContact OD1-CB 3.31Å; D416-T461 WeakPolarHBondContact OD1-CG2 3.45Å; D416-T461 PolarHBondContact OD1-OG1 2.54Å; D416-T461 PolarHBondContact OD2-OG1 3.12Å; T461-M463 VanDerWaalsContact C-N 3.28Å; T461-M463 HydrophobicContact CG2-CG 4.22Å; T461-M463 HydrophobicContact CG2-SD 3.66Å; T461-M463 PolarHBondContact O-N 3.34Å; T461-F489 HydrophobicContact CG2-CD1 4.09Å; T461-F489 HydrophobicContact CG2-CE1 3.63Å; T461-F489 HydrophobicContact CG2-CE2 4.28Å; T461-F489 HydrophobicContact CG2-CZ 3.74Å; T461-F489 WeakPolarHBondContact OG1-CZ 3.49Å; T461-P503 HydrophobicContact CG2-CB 4.18Å; T461-P503 HydrophobicContact CG2-CG 3.67Å
462	P	79.5	Confident	71.4	Confident	25 Å²	25	73.4 Å²	73.4	16%	0.162	42%	0.417	C	S	.	.			trans	-75.6	77.9	176.5	28.7	-30.8	0	0	0	111	D464 F489 F491	P462-D464 PolarHBondContact O-N 3.32Å; P462-F489 HydrophobicContact CG-CB 4.39Å; P462-F489 HydrophobicContact CG-CD2 4.09Å; P462-F489 HydrophobicContact CG-CG 4.38Å; P462-F491 HydrophobicContact CB-CZ 4.32Å; P462-F491 HydrophobicContact CG-CE2 4.2Å; P462-F491 HydrophobicContact CG-CZ 3.99Å; P462-F491 WeakPolarHBondContact O-CZ 3.16Å
463	M	73.4	Confident	73.1	Confident	92 Å²	92	68.5 Å²	68.5	45%	0.453	39%	0.385	S	S	.	.			trans	-68.6	-28	-175	-67.7	-62.1	-73.1	0	0	114.2	T461 P503	T461-M463 VanDerWaalsContact C-N 3.28Å; T461-M463 HydrophobicContact CG2-CG 4.22Å; T461-M463 HydrophobicContact CG2-SD 3.66Å; T461-M463 PolarHBondContact O-N 3.34Å; M463-P503 HydrophobicContact SD-CG 3.98Å
464	D	76.3	Confident	74.9	Confident	43 Å²	43	62.3 Å²	62.3	23%	0.23	35%	0.352	C	S	.	.			trans	-136.8	88.9	-178.6	-163.3	-15.7	0	0	0	112.9	P462 C466 K467 D468	P462-D464 PolarHBondContact O-N 3.32Å; D464-C466 PolarHBondContact O-N 3.3Å; D464-C466 WeakPolarHBondContact OD1-CB 3.31Å; D464-C466 PolarHBondContact OD1-N 3.11Å; D464-C466 VanDerWaalsContact OD1-N 3.09Å; D464-K467 HydrophobicContact CB-CB 4.3Å; D464-K467 HydrophobicContact CB-CD 4.29Å; D464-K467 HydrophobicContact CB-CG 4.35Å; D464-K467 PolarHBondContact O-N 3.05Å; D464-K467 VanDerWaalsContact O-N 3.15Å; D464-K467 VanDerWaalsContact OD2-CD 3.23Å; D464-K467 WeakPolarHBondContact OD2-CD 3.49Å; D464-K467 WeakPolarHBondContact OD2-CE 3.48Å; D464-K467 VanDerWaalsContact OD2-CG 3.31Å; D464-K467 WeakPolarHBondContact OD2-CG 3.5Å; D464-K467 IonicContact OD2-NZ 2.7Å; D464-K467 PolarHBondContact OD2-NZ 3.24Å; D464-D468 PolarHBondContact O-N 3.45Å
465	I	79	Confident	76.8	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.026	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.9	176.7	64.4	-179.4	0	0	0	114.6	V470 F491 P500 L656	I465-V470 HydrophobicContact CG2-CG2 4.3Å; I465-F491 HydrophobicContact CD1-CD1 4.29Å; I465-F491 HydrophobicContact CD1-CE1 4.48Å; I465-F491 HydrophobicContact CG2-CD1 4.19Å; I465-F491 HydrophobicContact CG2-CD2 4.45Å; I465-F491 HydrophobicContact CG2-CE1 3.5Å; I465-F491 HydrophobicContact CG2-CE2 3.82Å; I465-F491 HydrophobicContact CG2-CZ 3.29Å; I465-P500 HydrophobicContact CD1-CG 3.5Å; I465-P500 VanDerWaalsContact CD1-CG 3.5Å; I465-L656 HydrophobicContact CB-CD1 4.21Å; I465-L656 HydrophobicContact CD1-CB 4.12Å; I465-L656 HydrophobicContact CD1-CD1 4.15Å; I465-L656 HydrophobicContact CD1-CD2 4.18Å; I465-L656 HydrophobicContact CD1-CG 4.37Å; I465-L656 HydrophobicContact CG1-CD1 4.31Å
466	C	76.1	Confident	78.9	Confident	52 Å²	52	52.4 Å²	52.4	35%	0.351	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-23.1	177.1	-65.8	0	0	0	0	113.3	D464 C658	D464-C466 PolarHBondContact O-N 3.3Å; D464-C466 WeakPolarHBondContact OD1-CB 3.31Å; D464-C466 PolarHBondContact OD1-N 3.11Å; D464-C466 VanDerWaalsContact OD1-N 3.09Å; C466-C658 WeakPolarHBondContact CA-SG 3.31Å; C466-C658 HydrophobicContact CB-CB 3.76Å; C466-C658 WeakPolarHBondContact CB-SG 3.35Å; C466-C658 WeakPolarHBondContact SG-CB 3.26Å; C466-C658 CovalentContact SG-SG 2.03Å; C466-C658 PolarHBondContact SG-SG 2.7Å
467	K	75.7	Confident	80.5	Confident	158 Å²	158	49.8 Å²	49.8	69%	0.687	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-43.1	179.8	-75.7	-177.7	-173.1	123.3	0	111.7	D464	D464-K467 HydrophobicContact CB-CB 4.3Å; D464-K467 HydrophobicContact CB-CD 4.29Å; D464-K467 HydrophobicContact CB-CG 4.35Å; D464-K467 PolarHBondContact O-N 3.05Å; D464-K467 VanDerWaalsContact O-N 3.15Å; D464-K467 VanDerWaalsContact OD2-CD 3.23Å; D464-K467 WeakPolarHBondContact OD2-CD 3.49Å; D464-K467 WeakPolarHBondContact OD2-CE 3.48Å; D464-K467 VanDerWaalsContact OD2-CG 3.31Å; D464-K467 WeakPolarHBondContact OD2-CG 3.5Å; D464-K467 IonicContact OD2-NZ 2.7Å; D464-K467 PolarHBondContact OD2-NZ 3.24Å
468	D	73.1	Confident	81.6	Confident	114 Å²	114	43.2 Å²	43.2	61%	0.61	24%	0.239	S	C	*	.	S	Bend	trans	-109.7	123.3	-178.9	-61.3	-48.7	0	0	0	109	D464 V470	D464-D468 PolarHBondContact O-N 3.45Å; D468-V470 WeakPolarHBondContact O-CG2 3.41Å; D468-V470 PolarHBondContact O-N 2.97Å
469	P	69.9	Low	82.3	Confident	104 Å²	104	49.5 Å²	49.5	68%	0.675	26%	0.259	S	S	*	.			trans	-65.9	110.1	178.7	25.5	-31.6	0	0	0	109.7
470	V	79.2	Confident	82.4	Confident	24 Å²	24	49.6 Å²	49.6	15%	0.145	26%	0.264	C	S	.	.			trans	-92	129.7	179.2	-175.6	0	0	0	0	110.2	I465 D468 F472 K486	I465-V470 HydrophobicContact CG2-CG2 4.3Å; D468-V470 WeakPolarHBondContact O-CG2 3.41Å; D468-V470 PolarHBondContact O-N 2.97Å; V470-F472 HydrophobicContact CG1-CD1 4.26Å; V470-F472 HydrophobicContact CG1-CE1 4.14Å; V470-K486 HydrophobicContact CG1-CB 4.26Å; V470-K486 HydrophobicContact CG1-CD 3.97Å; V470-K486 HydrophobicContact CG1-CG 3.75Å
471	I	85.6	Confident	82.6	Confident	86 Å²	86	47.7 Å²	47.7	44%	0.441	25%	0.249	S	C	.	.			trans	-93.2	112.9	165.7	-57.8	172.7	0	0	0	106.6	K486	I471-K486 VanDerWaalsContact O-CD 3.26Å; I471-K486 WeakPolarHBondContact O-CD 3.26Å; I471-K486 VanDerWaalsContact O-CE 3.28Å; I471-K486 WeakPolarHBondContact O-CE 3.02Å; I471-K486 PolarHBondContact O-NZ 3.42Å
472	F	89.3	Confident	83.1	Confident	11 Å²	11	47.3 Å²	47.3	5%	0.048	25%	0.247	C	C	.	.			trans	-72.3	145.2	178.2	-63	-70.9	0	0	0	110.6	V470 V475 F484 F485 K486 F491 I651 L656	V470-F472 HydrophobicContact CG1-CD1 4.26Å; V470-F472 HydrophobicContact CG1-CE1 4.14Å; F472-V475 HydrophobicContact CB-CG2 3.9Å; F472-V475 HydrophobicContact CD2-CG2 4.37Å; F472-V475 HydrophobicContact CG-CG2 4.3Å; F472-F484 HydrophobicContact CD1-CB 3.69Å; F472-F484 HydrophobicContact CD2-CD1 4Å; F472-F484 HydrophobicContact CE1-CB 3.61Å; F472-F484 HydrophobicContact CE1-CG 4.39Å; F472-F484 HydrophobicContact CE2-CB 4.44Å; F472-F484 AromaticContact CE2-CD1 3.87Å; F472-F484 HydrophobicContact CE2-CD1 3.87Å; F472-F484 HydrophobicContact CE2-CG 4.48Å; F472-F484 HydrophobicContact CG-CB 4.16Å; F472-F484 HydrophobicContact CG-CD1 4.38Å; F472-F484 HydrophobicContact CZ-CB 4.01Å; F472-F484 HydrophobicContact CZ-CD1 4.14Å; F472-F484 HydrophobicContact CZ-CG 4.31Å; F472-F485 CarbonylContact C-O 3.58Å; F472-F485 WeakPolarHBondContact CA-O 3.39Å; F472-F485 WeakPolarHBondContact CB-O 3.25Å; F472-K486 HydrophobicContact CD1-CB 4.21Å; F472-F491 HydrophobicContact CE1-CD2 4.04Å; F472-F491 HydrophobicContact CE1-CE2 4.31Å; F472-I651 HydrophobicContact CD2-CG2 4.41Å; F472-I651 HydrophobicContact CE2-CG2 4.04Å; F472-L656 HydrophobicContact CE2-CD1 3.95Å; F472-L656 HydrophobicContact CE2-CD2 3.93Å; F472-L656 HydrophobicContact CE2-CG 4.45Å; F472-L656 HydrophobicContact CZ-CD1 3.9Å; F472-L656 HydrophobicContact CZ-CD2 3.82Å
473	D	90.8	Very high	83.6	Confident	20 Å²	20	46.8 Å²	46.8	11%	0.107	24%	0.242	C	C	.	.	S	Bend	trans	-82.3	-30.1	178	-48.3	-50.2	0	0	0	111.2	F485 K486 D487 K516 I517 D518	D473-F485 PolarHBondContact N-O 3.14Å; D473-K486 IonicContact OD1-NZ 3.23Å; D473-K486 PolarHBondContact OD1-NZ 3.02Å; D473-K486 WeakPolarHBondContact OD2-CA 3.45Å; D473-K486 IonicContact OD2-NZ 2.72Å; D473-D487 PolarHBondContact OD2-N 2.91Å; D473-K516 HydrophobicContact CB-CG 4.43Å; D473-K516 VanDerWaalsContact CG-CE 3.42Å; D473-K516 VanDerWaalsContact OD1-CE 3.3Å; D473-K516 WeakPolarHBondContact OD1-CE 3.17Å; D473-I517 WeakPolarHBondContact CB-O 3.3Å; D473-D518 VanDerWaalsContact O-O 3.08Å
474	A	92.1	Very high	84.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	151.7	170.2	0	0	0	0	0	111	F485 I517	A474-F485 HydrophobicContact CB-CB 4.3Å; A474-F485 HydrophobicContact CB-CD2 4.25Å; A474-F485 PolarHBondContact O-N 3.4Å; A474-I517 HydrophobicContact CB-CD1 3.9Å; A474-I517 HydrophobicContact CB-CG1 4.12Å
475	V	92.2	Very high	85.2	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	120.9	172.4	-170.6	0	0	0	0	109.2	F472 T482 F483 F484 S617 F619 F630	F472-V475 HydrophobicContact CB-CG2 3.9Å; F472-V475 HydrophobicContact CD2-CG2 4.37Å; F472-V475 HydrophobicContact CG-CG2 4.3Å; V475-T482 HydrophobicContact CG1-CG2 4.07Å; V475-F483 WeakPolarHBondContact CA-O 3.48Å; V475-F484 HydrophobicContact CB-CD1 4.39Å; V475-F484 HydrophobicContact CG1-CD1 3.62Å; V475-F484 HydrophobicContact CG1-CE1 3.72Å; V475-F484 HydrophobicContact CG1-CG 4.27Å; V475-F484 HydrophobicContact CG1-CZ 4.43Å; V475-F484 HydrophobicContact CG2-CD1 3.81Å; V475-F484 HydrophobicContact CG2-CE1 4.43Å; V475-S617 PolarHBondContact N-OG 3.32Å; V475-S617 PolarHBondContact O-OG 3.41Å; V475-F619 HydrophobicContact CB-CD1 4.24Å; V475-F619 HydrophobicContact CB-CE1 3.99Å; V475-F619 HydrophobicContact CG1-CD1 4.01Å; V475-F619 HydrophobicContact CG1-CE1 3.38Å; V475-F619 HydrophobicContact CG1-CZ 4.02Å; V475-F619 WeakPolarHBondContact O-CD1 3.39Å; V475-F630 HydrophobicContact CG2-CD1 4.46Å
476	A	91.3	Very high	85.8	Confident	1 Å²	1	42 Å²	42	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.3	-175.4	0	0	0	0	0	111.6	I478 F483 A520	A476-I478 HydrophobicContact CB-CG1 4.38Å; A476-F483 PolarHBondContact N-O 3.11Å; A476-F483 PolarHBondContact O-N 2.55Å; A476-A520 HydrophobicContact CB-CB 4.02Å; A476-A520 WeakPolarHBondContact CB-O 3.44Å
477	Q	88.7	Confident	86.3	Confident	22 Å²	22	43 Å²	43	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.8	165.9	-171.4	169.2	44.8	0	0	109	G480 E481 E522 F619 S620 N622	Q477-G480 PolarHBondContact NE2-O 3.15Å; Q477-G480 VanDerWaalsContact NE2-O 3.15Å; Q477-E481 CarbonylContact C-O 3.59Å; Q477-E481 VanDerWaalsContact CA-O 3.31Å; Q477-E481 WeakPolarHBondContact CA-O 3.36Å; Q477-E481 WeakPolarHBondContact CG-O 3.48Å; Q477-E522 WeakPolarHBondContact O-CB 3.39Å; Q477-F619 HydrophobicContact CB-CD2 4.34Å; Q477-S620 PolarHBondContact OE1-O 2.97Å; Q477-N622 PolarHBondContact OE1-OD1 3.46Å; Q477-N622 VanDerWaalsContact OE1-OD1 3.13Å
478	I	88.3	Confident	87	Confident	5 Å²	5	37 Å²	37	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.4	-179.3	-57.1	165.5	0	0	0	106.9	A476 G480 E481 F483 F485 W510 T529 F531	A476-I478 HydrophobicContact CB-CG1 4.38Å; I478-G480 PolarHBondContact O-N 3.14Å; I478-E481 PolarHBondContact N-O 3.03Å; I478-E481 PolarHBondContact O-N 3.15Å; I478-F483 HydrophobicContact CB-CD2 3.77Å; I478-F483 HydrophobicContact CB-CE2 3.77Å; I478-F483 HydrophobicContact CD1-CB 4.38Å; I478-F483 HydrophobicContact CD1-CD2 3.93Å; I478-F483 HydrophobicContact CD1-CE2 4.45Å; I478-F483 HydrophobicContact CD1-CG 4.16Å; I478-F483 HydrophobicContact CG1-CD2 4.11Å; I478-F483 HydrophobicContact CG2-CE2 4.46Å; I478-F485 HydrophobicContact CD1-CE2 4.37Å; I478-F485 HydrophobicContact CD1-CZ 4.14Å; I478-W510 HydrophobicContact CD1-CH2 3.89Å; I478-W510 HydrophobicContact CD1-CZ2 4.14Å; I478-T529 HydrophobicContact CD1-CG2 3.73Å; I478-T529 HydrophobicContact CG1-CG2 3.9Å; I478-T529 HydrophobicContact CG2-CG2 4.25Å; I478-T529 WeakPolarHBondContact CG2-OG1 3.38Å; I478-F531 HydrophobicContact CD1-CE1 4.49Å; I478-F531 HydrophobicContact CD1-CZ 4.22Å
479	R	84.3	Confident	87.8	Confident	148 Å²	148	31.7 Å²	31.7	56%	0.558	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	28.1	178.3	-65.2	171.7	151.8	-173	-19.4	114.4	E522 D543	R479-E522 VanDerWaalsContact N-CD 3.29Å; R479-E522 PolarHBondContact N-OE1 3.47Å; R479-E522 PolarHBondContact N-OE2 3.12Å; R479-E522 VanDerWaalsContact N-OE2 3.08Å; R479-D543 IonicContact NH1-OD1 2.7Å; R479-D543 PolarHBondContact NH1-OD1 2.92Å; R479-D543 IonicContact NH1-OD2 3.93Å
480	G	83	Confident	88.8	Confident	29 Å²	29	26.7 Å²	26.7	30%	0.299	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-11.9	180	0	0	0	0	0	115.6	Q477 I478	Q477-G480 PolarHBondContact NE2-O 3.15Å; Q477-G480 VanDerWaalsContact NE2-O 3.15Å; I478-G480 PolarHBondContact O-N 3.14Å
481	E	87.8	Confident	89.3	Confident	50 Å²	50	25.7 Å²	25.7	23%	0.234	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	148.5	173.4	-60.9	-173	162.8	0	0	110.9	Q477 I478 F483 R492 V494	Q477-E481 CarbonylContact C-O 3.59Å; Q477-E481 VanDerWaalsContact CA-O 3.31Å; Q477-E481 WeakPolarHBondContact CA-O 3.36Å; Q477-E481 WeakPolarHBondContact CG-O 3.48Å; I478-E481 PolarHBondContact N-O 3.03Å; I478-E481 PolarHBondContact O-N 3.15Å; E481-F483 HydrophobicContact CB-CD2 4.33Å; E481-F483 HydrophobicContact CB-CE2 3.73Å; E481-F483 HydrophobicContact CB-CZ 4.38Å; E481-R492 IonicContact OE2-NH1 3.91Å; E481-V494 HydrophobicContact CG-CG2 4.27Å; E481-V494 WeakPolarHBondContact OE1-CG2 3.38Å
482	T	89.5	Confident	89.4	Confident	4 Å²	4	24.3 Å²	24.3	3%	0.025	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.8	174.1	-51	0	0	0	0	109.4	V475 F484 R492 S493 F619 W655	V475-T482 HydrophobicContact CG1-CG2 4.07Å; T482-F484 HydrophobicContact CG2-CD2 4.43Å; T482-F484 HydrophobicContact CG2-CE1 4.47Å; T482-F484 HydrophobicContact CG2-CE2 3.77Å; T482-F484 HydrophobicContact CG2-CZ 3.79Å; T482-R492 CarbonylContact O-C 3.57Å; T482-R492 WeakPolarHBondContact O-CA 3.42Å; T482-S493 PolarHBondContact N-O 3.18Å; T482-S493 PolarHBondContact O-N 3.43Å; T482-F619 HydrophobicContact CG2-CE2 4.31Å; T482-F619 HydrophobicContact CG2-CZ 4.01Å; T482-W655 HydrophobicContact CG2-CZ3 4.35Å
483	F	91	Very high	89.2	Confident	13 Å²	13	23.9 Å²	23.9	6%	0.057	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.8	177.6	-70.7	-100.3	0	0	0	110	V475 A476 I478 E481 F485 L490 F491 R492 W510	V475-F483 WeakPolarHBondContact CA-O 3.48Å; A476-F483 PolarHBondContact N-O 3.11Å; A476-F483 PolarHBondContact O-N 2.55Å; I478-F483 HydrophobicContact CB-CD2 3.77Å; I478-F483 HydrophobicContact CB-CE2 3.77Å; I478-F483 HydrophobicContact CD1-CB 4.38Å; I478-F483 HydrophobicContact CD1-CD2 3.93Å; I478-F483 HydrophobicContact CD1-CE2 4.45Å; I478-F483 HydrophobicContact CD1-CG 4.16Å; I478-F483 HydrophobicContact CG1-CD2 4.11Å; I478-F483 HydrophobicContact CG2-CE2 4.46Å; E481-F483 HydrophobicContact CB-CD2 4.33Å; E481-F483 HydrophobicContact CB-CE2 3.73Å; E481-F483 HydrophobicContact CB-CZ 4.38Å; F483-F485 HydrophobicContact CB-CD2 4.2Å; F483-F485 HydrophobicContact CB-CE2 3.42Å; F483-F485 VanDerWaalsContact CB-CE2 3.42Å; F483-F485 HydrophobicContact CB-CZ 3.74Å; F483-F485 HydrophobicContact CD1-CZ 4.36Å; F483-F485 HydrophobicContact CG-CE2 4.41Å; F483-F485 HydrophobicContact CG-CZ 4.29Å; F483-L490 HydrophobicContact CD1-CD1 4.1Å; F483-L490 HydrophobicContact CD1-CD2 4.28Å; F483-L490 HydrophobicContact CE1-CD1 4.34Å; F483-F491 CarbonylContact C-O 3.45Å; F483-F491 WeakPolarHBondContact CA-O 3.37Å; F483-R492 HydrophobicContact CD1-CB 4.14Å; F483-R492 HydrophobicContact CE1-CB 4Å; F483-R492 HydrophobicContact CZ-CB 4.42Å; F483-W510 HydrophobicContact CD1-CH2 4.12Å; F483-W510 HydrophobicContact CD1-CZ3 4.41Å; F483-W510 AromaticContact CE1-CH2 3.99Å; F483-W510 HydrophobicContact CE1-CH2 3.99Å; F483-W510 HydrophobicContact CE1-CZ3 4.48Å; F483-W510 HydrophobicContact CZ-CH2 4.42Å
484	F	91.4	Very high	88.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.8	173.7	-56.2	-97	0	0	0	108	F472 V475 T482 L490 F491 W655 L656	F472-F484 HydrophobicContact CD1-CB 3.69Å; F472-F484 HydrophobicContact CD2-CD1 4Å; F472-F484 HydrophobicContact CE1-CB 3.61Å; F472-F484 HydrophobicContact CE1-CG 4.39Å; F472-F484 HydrophobicContact CE2-CB 4.44Å; F472-F484 AromaticContact CE2-CD1 3.87Å; F472-F484 HydrophobicContact CE2-CD1 3.87Å; F472-F484 HydrophobicContact CE2-CG 4.48Å; F472-F484 HydrophobicContact CG-CB 4.16Å; F472-F484 HydrophobicContact CG-CD1 4.38Å; F472-F484 HydrophobicContact CZ-CB 4.01Å; F472-F484 HydrophobicContact CZ-CD1 4.14Å; F472-F484 HydrophobicContact CZ-CG 4.31Å; V475-F484 HydrophobicContact CB-CD1 4.39Å; V475-F484 HydrophobicContact CG1-CD1 3.62Å; V475-F484 HydrophobicContact CG1-CE1 3.72Å; V475-F484 HydrophobicContact CG1-CG 4.27Å; V475-F484 HydrophobicContact CG1-CZ 4.43Å; V475-F484 HydrophobicContact CG2-CD1 3.81Å; V475-F484 HydrophobicContact CG2-CE1 4.43Å; T482-F484 HydrophobicContact CG2-CD2 4.43Å; T482-F484 HydrophobicContact CG2-CE1 4.47Å; T482-F484 HydrophobicContact CG2-CE2 3.77Å; T482-F484 HydrophobicContact CG2-CZ 3.79Å; F484-L490 CarbonylContact O-C 3.41Å; F484-L490 WeakPolarHBondContact O-CA 3.42Å; F484-F491 HydrophobicContact CB-CB 4.27Å; F484-F491 HydrophobicContact CD2-CB 4.49Å; F484-F491 PolarHBondContact N-O 3.45Å; F484-F491 PolarHBondContact O-N 3.15Å; F484-W655 HydrophobicContact CE1-CB 4.26Å; F484-W655 HydrophobicContact CZ-CB 4.17Å; F484-W655 HydrophobicContact CZ-CE3 4.05Å; F484-L656 HydrophobicContact CD1-CD2 4.28Å; F484-L656 HydrophobicContact CE1-CD2 4.11Å; F484-L656 HydrophobicContact CZ-CD2 4.26Å
485	F	92	Very high	88.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.4	-176.2	-64	-92.3	0	0	0	110.4	F472 D473 A474 I478 F483 L490 V506 W510 I517 F531	F472-F485 CarbonylContact C-O 3.58Å; F472-F485 WeakPolarHBondContact CA-O 3.39Å; F472-F485 WeakPolarHBondContact CB-O 3.25Å; D473-F485 PolarHBondContact N-O 3.14Å; A474-F485 HydrophobicContact CB-CB 4.3Å; A474-F485 HydrophobicContact CB-CD2 4.25Å; A474-F485 PolarHBondContact O-N 3.4Å; I478-F485 HydrophobicContact CD1-CE2 4.37Å; I478-F485 HydrophobicContact CD1-CZ 4.14Å; F483-F485 HydrophobicContact CB-CD2 4.2Å; F483-F485 HydrophobicContact CB-CE2 3.42Å; F483-F485 VanDerWaalsContact CB-CE2 3.42Å; F483-F485 HydrophobicContact CB-CZ 3.74Å; F483-F485 HydrophobicContact CD1-CZ 4.36Å; F483-F485 HydrophobicContact CG-CE2 4.41Å; F483-F485 HydrophobicContact CG-CZ 4.29Å; F485-L490 HydrophobicContact CD1-CB 3.94Å; F485-L490 HydrophobicContact CE1-CB 4.14Å; F485-L490 HydrophobicContact CE1-CD2 4.02Å; F485-V506 HydrophobicContact CD1-CG2 3.95Å; F485-V506 HydrophobicContact CE1-CG2 4.38Å; F485-W510 HydrophobicContact CE1-CE3 4.14Å; F485-W510 HydrophobicContact CE1-CH2 4.46Å; F485-W510 AromaticContact CE1-CZ3 3.62Å; F485-W510 HydrophobicContact CE1-CZ3 3.62Å; F485-W510 HydrophobicContact CZ-CH2 4.11Å; F485-W510 AromaticContact CZ-CZ3 3.7Å; F485-W510 HydrophobicContact CZ-CZ3 3.7Å; F485-I517 HydrophobicContact CB-CD1 3.74Å; F485-I517 HydrophobicContact CB-CG1 3.96Å; F485-I517 HydrophobicContact CD1-CD1 3.56Å; F485-I517 HydrophobicContact CD1-CG1 4.37Å; F485-I517 HydrophobicContact CD2-CD1 3.79Å; F485-I517 HydrophobicContact CE1-CD1 4.04Å; F485-I517 HydrophobicContact CE2-CD1 4.23Å; F485-I517 HydrophobicContact CG-CD1 3.42Å; F485-I517 VanDerWaalsContact CG-CD1 3.42Å; F485-I517 HydrophobicContact CG-CG1 4.18Å; F485-I517 HydrophobicContact CZ-CD1 4.36Å; F485-F531 HydrophobicContact CE1-CE1 4.14Å; F485-F531 HydrophobicContact CE2-CE1 4.45Å; F485-F531 AromaticContact CZ-CE1 3.79Å; F485-F531 HydrophobicContact CZ-CE1 3.79Å; F485-F531 HydrophobicContact CZ-CZ 4.49Å
486	K	90.1	Very high	87	Confident	39 Å²	39	34.8 Å²	34.8	17%	0.17	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	116.8	173.2	-178.1	57.6	179.8	176.1	0	111.6	V470 I471 F472 D473 R488 F489	V470-K486 HydrophobicContact CG1-CB 4.26Å; V470-K486 HydrophobicContact CG1-CD 3.97Å; V470-K486 HydrophobicContact CG1-CG 3.75Å; I471-K486 VanDerWaalsContact O-CD 3.26Å; I471-K486 WeakPolarHBondContact O-CD 3.26Å; I471-K486 VanDerWaalsContact O-CE 3.28Å; I471-K486 WeakPolarHBondContact O-CE 3.02Å; I471-K486 PolarHBondContact O-NZ 3.42Å; F472-K486 HydrophobicContact CD1-CB 4.21Å; D473-K486 IonicContact OD1-NZ 3.23Å; D473-K486 PolarHBondContact OD1-NZ 3.02Å; D473-K486 WeakPolarHBondContact OD2-CA 3.45Å; D473-K486 IonicContact OD2-NZ 2.72Å; K486-R488 PolarHBondContact O-N 3.48Å; K486-F489 CarbonylContact C-O 3.57Å; K486-F489 PolarHBondContact N-O 2.83Å; K486-F489 WeakPolarHBondContact O-CA 3.4Å; K486-F489 WeakPolarHBondContact O-CB 3.3Å; K486-F489 PolarHBondContact O-N 2.92Å; K486-F489 VanDerWaalsContact O-O 3.11Å
487	D	88.1	Confident	86	Confident	73 Å²	73	43.6 Å²	43.6	39%	0.39	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	-125.9	-172.9	-57.2	-62.1	0	0	0	108.3	D473 F489 A515	D473-D487 PolarHBondContact OD2-N 2.91Å; D487-F489 PolarHBondContact O-N 3.4Å; D487-A515 CarbonylContact C-O 3.58Å; D487-A515 WeakPolarHBondContact CA-O 3.37Å
488	R	89.3	Confident	85.4	Confident	33 Å²	33	45.1 Å²	45.1	13%	0.125	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	5.4	-180	66.5	-173.7	-65.6	-147.4	-1.6	113.9	G418 K486 L505 V506 A515	G418-R488 PolarHBondContact O-NH1 2.05Å; G418-R488 VanDerWaalsContact O-NH1 3.16Å; K486-R488 PolarHBondContact O-N 3.48Å; R488-L505 HydrophobicContact CB-CD2 4.41Å; R488-L505 HydrophobicContact CG-CD2 3.99Å; R488-L505 WeakPolarHBondContact O-CA 3.42Å; R488-V506 PolarHBondContact O-N 2.83Å; R488-A515 VanDerWaalsContact CA-O 3.31Å; R488-A515 WeakPolarHBondContact CA-O 3.24Å; R488-A515 HydrophobicContact CB-CB 4.39Å; R488-A515 PolarHBondContact N-O 2.94Å
489	F	90.9	Very high	84.9	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	155.9	-173.4	-55.9	-79.1	0	0	0	112.4	T461 P462 K486 D487 P503 M504 L505	T461-F489 HydrophobicContact CG2-CD1 4.09Å; T461-F489 HydrophobicContact CG2-CE1 3.63Å; T461-F489 HydrophobicContact CG2-CE2 4.28Å; T461-F489 HydrophobicContact CG2-CZ 3.74Å; T461-F489 WeakPolarHBondContact OG1-CZ 3.49Å; P462-F489 HydrophobicContact CG-CB 4.39Å; P462-F489 HydrophobicContact CG-CD2 4.09Å; P462-F489 HydrophobicContact CG-CG 4.38Å; K486-F489 CarbonylContact C-O 3.57Å; K486-F489 PolarHBondContact N-O 2.83Å; K486-F489 WeakPolarHBondContact O-CA 3.4Å; K486-F489 WeakPolarHBondContact O-CB 3.3Å; K486-F489 PolarHBondContact O-N 2.92Å; K486-F489 VanDerWaalsContact O-O 3.11Å; D487-F489 PolarHBondContact O-N 3.4Å; F489-P503 HydrophobicContact CB-CB 4.39Å; F489-P503 HydrophobicContact CD1-CB 4.24Å; F489-M504 CarbonylContact C-O 3.5Å; F489-M504 WeakPolarHBondContact CA-O 3.36Å; F489-L505 HydrophobicContact CD1-CD2 3.98Å; F489-L505 HydrophobicContact CE1-CD2 3.68Å; F489-L505 HydrophobicContact CE1-CG 4.42Å; F489-L505 HydrophobicContact CZ-CD2 4.36Å
490	L	90.7	Very high	84.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	157.4	169.2	67.5	81.9	0	0	0	111.9	F483 F484 F485 M504 V506 Y509 W510	F483-L490 HydrophobicContact CD1-CD1 4.1Å; F483-L490 HydrophobicContact CD1-CD2 4.28Å; F483-L490 HydrophobicContact CE1-CD1 4.34Å; F484-L490 CarbonylContact O-C 3.41Å; F484-L490 WeakPolarHBondContact O-CA 3.42Å; F485-L490 HydrophobicContact CD1-CB 3.94Å; F485-L490 HydrophobicContact CE1-CB 4.14Å; F485-L490 HydrophobicContact CE1-CD2 4.02Å; L490-M504 HydrophobicContact CD1-CB 4.1Å; L490-M504 HydrophobicContact CD1-CE 3.82Å; L490-M504 HydrophobicContact CG-CB 4.4Å; L490-M504 PolarHBondContact N-O 3.19Å; L490-M504 PolarHBondContact O-N 3.2Å; L490-V506 HydrophobicContact CB-CG2 4.19Å; L490-V506 HydrophobicContact CD2-CG2 4.26Å; L490-Y509 HydrophobicContact CD1-CE2 4.38Å; L490-Y509 HydrophobicContact CD2-CD2 3.96Å; L490-Y509 HydrophobicContact CD2-CE2 4.37Å; L490-W510 HydrophobicContact CD2-CE3 4.26Å; L490-W510 HydrophobicContact CD2-CZ3 3.66Å
491	F	89.2	Confident	84.8	Confident	3 Å²	3	46 Å²	46	1%	0.013	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.2	168.9	-54.7	-97.5	0	0	0	108	P462 I465 F472 F483 F484 P500 S501 P503	P462-F491 HydrophobicContact CB-CZ 4.32Å; P462-F491 HydrophobicContact CG-CE2 4.2Å; P462-F491 HydrophobicContact CG-CZ 3.99Å; P462-F491 WeakPolarHBondContact O-CZ 3.16Å; I465-F491 HydrophobicContact CD1-CD1 4.29Å; I465-F491 HydrophobicContact CD1-CE1 4.48Å; I465-F491 HydrophobicContact CG2-CD1 4.19Å; I465-F491 HydrophobicContact CG2-CD2 4.45Å; I465-F491 HydrophobicContact CG2-CE1 3.5Å; I465-F491 HydrophobicContact CG2-CE2 3.82Å; I465-F491 HydrophobicContact CG2-CZ 3.29Å; F472-F491 HydrophobicContact CE1-CD2 4.04Å; F472-F491 HydrophobicContact CE1-CE2 4.31Å; F483-F491 CarbonylContact C-O 3.45Å; F483-F491 WeakPolarHBondContact CA-O 3.37Å; F484-F491 HydrophobicContact CB-CB 4.27Å; F484-F491 HydrophobicContact CD2-CB 4.49Å; F484-F491 PolarHBondContact N-O 3.45Å; F484-F491 PolarHBondContact O-N 3.15Å; F491-P500 HydrophobicContact CB-CB 4.01Å; F491-P500 HydrophobicContact CB-CG 4.27Å; F491-S501 WeakPolarHBondContact CA-O 3.4Å; F491-P503 HydrophobicContact CE1-CB 3.75Å; F491-P503 HydrophobicContact CE1-CG 4.35Å; F491-P503 HydrophobicContact CZ-CB 3.76Å
492	R	88	Confident	84.4	Confident	56 Å²	56	44.7 Å²	44.7	21%	0.211	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.4	179.6	73.7	-179.7	173.3	167.8	-6.9	111.5	E481 T482 F483 P500 S501 M504 Y509	E481-R492 IonicContact OE2-NH1 3.91Å; T482-R492 CarbonylContact O-C 3.57Å; T482-R492 WeakPolarHBondContact O-CA 3.42Å; F483-R492 HydrophobicContact CD1-CB 4.14Å; F483-R492 HydrophobicContact CE1-CB 4Å; F483-R492 HydrophobicContact CZ-CB 4.42Å; R492-P500 CarbonylContact O-C 3.49Å; R492-P500 WeakPolarHBondContact O-CA 3.48Å; R492-P500 WeakPolarHBondContact O-CB 3.48Å; R492-S501 PolarHBondContact N-O 3.29Å; R492-S501 PolarHBondContact O-N 2.86Å; R492-M504 HydrophobicContact CB-CE 4.38Å; R492-M504 HydrophobicContact CG-CE 3.65Å; R492-Y509 PolarHBondContact NH1-OH 2.85Å
493	S	85.6	Confident	84.3	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	123.7	175	-165.6	0	0	0	0	111.4	T482 N495 S498	T482-S493 PolarHBondContact N-O 3.18Å; T482-S493 PolarHBondContact O-N 3.43Å; S493-N495 VanDerWaalsContact C-N 3.33Å; S493-N495 PolarHBondContact OG-O 3.16Å; S493-S498 PolarHBondContact OG-O 2.77Å
494	V	80.9	Confident	84.1	Confident	116 Å²	116	46 Å²	46	70%	0.703	23%	0.234	S	C	*	.	S	Bend	trans	-70.9	-34.2	172.2	-175.7	0	0	0	0	110.5	E481	E481-V494 HydrophobicContact CG-CG2 4.27Å; E481-V494 WeakPolarHBondContact OE1-CG2 3.38Å
495	N	77.5	Confident	83.9	Confident	80 Å²	80	46.4 Å²	46.4	43%	0.428	24%	0.236	S	C	.	.	S	Bend	trans	-125.8	114.3	178.7	-178.7	1.3	0	0	0	109.5	S493 R497 S498	S493-N495 VanDerWaalsContact C-N 3.33Å; S493-N495 PolarHBondContact OG-O 3.16Å; N495-R497 PolarHBondContact O-N 3.12Å; N495-R497 PolarHBondContact OD1-N 3.24Å; N495-S498 PolarHBondContact O-N 3.04Å; N495-S498 PolarHBondContact O-OG 2.88Å
496	F	69.4	Low	83.8	Confident	53 Å²	53	46.8 Å²	46.8	23%	0.232	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-11.6	-176.7	70.1	-91.1	0	0	0	115.4	L621 W655	F496-L621 HydrophobicContact CD1-CD1 4.19Å; F496-L621 HydrophobicContact CE1-CD1 4.4Å; F496-L621 HydrophobicContact CG-CD1 4.48Å; F496-W655 HydrophobicContact CB-CE3 3.71Å; F496-W655 HydrophobicContact CB-CH2 4.44Å; F496-W655 HydrophobicContact CB-CZ3 3.5Å; F496-W655 HydrophobicContact CD2-CZ3 4.48Å; F496-W655 HydrophobicContact CG-CZ3 4.23Å
497	R	70.6	Confident	83.7	Confident	186 Å²	186	46 Å²	46	70%	0.702	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-13.5	176	-61.7	-174.3	-178.4	-126.1	3.8	114.6	N495	N495-R497 PolarHBondContact O-N 3.12Å; N495-R497 PolarHBondContact OD1-N 3.24Å
498	S	74.9	Confident	83.6	Confident	54 Å²	54	44.8 Å²	44.8	38%	0.378	24%	0.235	S	C	.	.	S	Bend	trans	-94.3	150.7	176.6	52.6	0	0	0	0	110.6	S493 N495	S493-S498 PolarHBondContact OG-O 2.77Å; N495-S498 PolarHBondContact O-N 3.04Å; N495-S498 PolarHBondContact O-OG 2.88Å
499	K	79.1	Confident	83.5	Confident	126 Å²	126	45.6 Å²	45.6	55%	0.548	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-52.2	127.6	172.6	-172.9	177.5	-178	178.6	0	109.8	L656	K499-L656 WeakPolarHBondContact CA-O 3.04Å
500	P	82.9	Confident	83.4	Confident	9 Å²	9	46 Å²	46	6%	0.058	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-67.7	151.7	-179.2	29.7	-36.6	0	0	0	111	I465 F491 R492 L656	I465-P500 HydrophobicContact CD1-CG 3.5Å; I465-P500 VanDerWaalsContact CD1-CG 3.5Å; F491-P500 HydrophobicContact CB-CB 4.01Å; F491-P500 HydrophobicContact CB-CG 4.27Å; R492-P500 CarbonylContact O-C 3.49Å; R492-P500 WeakPolarHBondContact O-CA 3.48Å; R492-P500 WeakPolarHBondContact O-CB 3.48Å; P500-L656 WeakPolarHBondContact CD-O 2.97Å; P500-L656 HydrophobicContact CG-CD2 4.23Å
501	S	82.2	Confident	83.2	Confident	65 Å²	65	47.1 Å²	47.1	46%	0.455	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	135.1	172.1	-58.2	0	0	0	0	110.2	F491 R492	F491-S501 WeakPolarHBondContact CA-O 3.4Å; R492-S501 PolarHBondContact N-O 3.29Å; R492-S501 PolarHBondContact O-N 2.86Å
502	G	78.7	Confident	83.1	Confident	24 Å²	24	49.9 Å²	49.9	25%	0.247	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.6	-175.3	-177.6	0	0	0	0	0	111.4
503	P	86.8	Confident	83.3	Confident	6 Å²	6	48 Å²	48	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-73	149.1	5.8	28	-32.7	0	0	0	113.3	P417 T461 M463 F489 F491	P417-P503 HydrophobicContact CG-CG 4.32Å; P417-P503 WeakPolarHBondContact CG-O 3.34Å; T461-P503 HydrophobicContact CG2-CB 4.18Å; T461-P503 HydrophobicContact CG2-CG 3.67Å; M463-P503 HydrophobicContact SD-CG 3.98Å; F489-P503 HydrophobicContact CB-CB 4.39Å; F489-P503 HydrophobicContact CD1-CB 4.24Å; F491-P503 HydrophobicContact CE1-CB 3.75Å; F491-P503 HydrophobicContact CE1-CG 4.35Å; F491-P503 HydrophobicContact CZ-CB 3.76Å
504	M	86.8	Confident	83.4	Confident	37 Å²	37	49.5 Å²	49.5	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.5	170.1	-70.4	171.9	-81.7	0	0	109.3	F489 L490 R492 Y509	F489-M504 CarbonylContact C-O 3.5Å; F489-M504 WeakPolarHBondContact CA-O 3.36Å; L490-M504 HydrophobicContact CD1-CB 4.1Å; L490-M504 HydrophobicContact CD1-CE 3.82Å; L490-M504 HydrophobicContact CG-CB 4.4Å; L490-M504 PolarHBondContact N-O 3.19Å; L490-M504 PolarHBondContact O-N 3.2Å; R492-M504 HydrophobicContact CB-CE 4.38Å; R492-M504 HydrophobicContact CG-CE 3.65Å; M504-Y509 HydrophobicContact SD-CE2 4.26Å
505	L	88.1	Confident	83.5	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.052	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	137.1	174	-74.8	171.8	0	0	0	110.7	P417 T426 T428 R488 F489 A507 T508	P417-L505 WeakPolarHBondContact O-CD1 3.15Å; T426-L505 HydrophobicContact CG2-CB 4.17Å; T426-L505 HydrophobicContact CG2-CD1 3.78Å; T428-L505 HydrophobicContact CG2-CD1 4.31Å; R488-L505 HydrophobicContact CB-CD2 4.41Å; R488-L505 HydrophobicContact CG-CD2 3.99Å; R488-L505 WeakPolarHBondContact O-CA 3.42Å; F489-L505 HydrophobicContact CD1-CD2 3.98Å; F489-L505 HydrophobicContact CE1-CD2 3.68Å; F489-L505 HydrophobicContact CE1-CG 4.42Å; F489-L505 HydrophobicContact CZ-CD2 4.36Å; L505-A507 PolarHBondContact O-N 2.91Å; L505-T508 VanDerWaalsContact O-CB 3.3Å; L505-T508 WeakPolarHBondContact O-CB 3.38Å; L505-T508 PolarHBondContact O-N 2.82Å; L505-T508 VanDerWaalsContact O-N 3.15Å; L505-T508 PolarHBondContact O-OG1 2.98Å
506	V	90.3	Very high	84.1	Confident	8 Å²	8	47.5 Å²	47.5	5%	0.048	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-58.6	-39.6	174	174.1	0	0	0	0	110.5	F485 R488 L490 T508 Y509 W510 L513	F485-V506 HydrophobicContact CD1-CG2 3.95Å; F485-V506 HydrophobicContact CE1-CG2 4.38Å; R488-V506 PolarHBondContact O-N 2.83Å; L490-V506 HydrophobicContact CB-CG2 4.19Å; L490-V506 HydrophobicContact CD2-CG2 4.26Å; V506-T508 PolarHBondContact O-N 3.43Å; V506-T508 VanDerWaalsContact O-N 3.09Å; V506-Y509 PolarHBondContact O-N 3.31Å; V506-W510 HydrophobicContact CG1-CE3 4.14Å; V506-W510 PolarHBondContact O-N 2.87Å; V506-L513 HydrophobicContact CG1-CB 4.3Å; V506-L513 HydrophobicContact CG1-CD1 3.96Å
507	A	88.3	Confident	85.2	Confident	21 Å²	21	45.1 Å²	45.1	17%	0.174	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-61.5	-17.8	179.6	0	0	0	0	0	114.3	F427 T428 L505 Y509	F427-A507 WeakPolarHBondContact O-CB 3.34Å; T428-A507 HydrophobicContact CG2-CB 3.99Å; L505-A507 PolarHBondContact O-N 2.91Å; A507-Y509 PolarHBondContact O-N 3.45Å
508	T	86.1	Confident	86.3	Confident	49 Å²	49	37.4 Å²	37.4	30%	0.301	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-62.8	-30.2	173.2	-56.3	0	0	0	0	112.3	T426 L505 V506	T426-T508 WeakPolarHBondContact CG2-OG1 3.28Å; L505-T508 VanDerWaalsContact O-CB 3.3Å; L505-T508 WeakPolarHBondContact O-CB 3.38Å; L505-T508 PolarHBondContact O-N 2.82Å; L505-T508 VanDerWaalsContact O-N 3.15Å; L505-T508 PolarHBondContact O-OG1 2.98Å; V506-T508 PolarHBondContact O-N 3.43Å; V506-T508 VanDerWaalsContact O-N 3.09Å
509	Y	86.2	Confident	87.2	Confident	50 Å²	50	34.9 Å²	34.9	20%	0.196	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-34.5	178.5	-59.6	-85.4	0	0	0	112	L490 R492 M504 V506 A507	L490-Y509 HydrophobicContact CD1-CE2 4.38Å; L490-Y509 HydrophobicContact CD2-CD2 3.96Å; L490-Y509 HydrophobicContact CD2-CE2 4.37Å; R492-Y509 PolarHBondContact NH1-OH 2.85Å; M504-Y509 HydrophobicContact SD-CE2 4.26Å; V506-Y509 PolarHBondContact O-N 3.31Å; A507-Y509 PolarHBondContact O-N 3.45Å
510	W	89.8	Confident	87.9	Confident	9 Å²	9	28.9 Å²	28.9	3%	0.034	17%	0.174	C	C	.	.			trans	-133.9	79.4	-175.1	-57.4	-68	0	0	0	110.5	I478 F483 F485 L490 V506 D512 L513 F531 Y540	I478-W510 HydrophobicContact CD1-CH2 3.89Å; I478-W510 HydrophobicContact CD1-CZ2 4.14Å; F483-W510 HydrophobicContact CD1-CH2 4.12Å; F483-W510 HydrophobicContact CD1-CZ3 4.41Å; F483-W510 AromaticContact CE1-CH2 3.99Å; F483-W510 HydrophobicContact CE1-CH2 3.99Å; F483-W510 HydrophobicContact CE1-CZ3 4.48Å; F483-W510 HydrophobicContact CZ-CH2 4.42Å; F485-W510 HydrophobicContact CE1-CE3 4.14Å; F485-W510 HydrophobicContact CE1-CH2 4.46Å; F485-W510 AromaticContact CE1-CZ3 3.62Å; F485-W510 HydrophobicContact CE1-CZ3 3.62Å; F485-W510 HydrophobicContact CZ-CH2 4.11Å; F485-W510 AromaticContact CZ-CZ3 3.7Å; F485-W510 HydrophobicContact CZ-CZ3 3.7Å; L490-W510 HydrophobicContact CD2-CE3 4.26Å; L490-W510 HydrophobicContact CD2-CZ3 3.66Å; V506-W510 HydrophobicContact CG1-CE3 4.14Å; V506-W510 PolarHBondContact O-N 2.87Å; W510-D512 VanDerWaalsContact C-N 3.32Å; W510-D512 PolarHBondContact O-N 3.04Å; W510-L513 HydrophobicContact CB-CB 4.27Å; W510-L513 HydrophobicContact CB-CD1 3.39Å; W510-L513 HydrophobicContact CB-CG 3.67Å; W510-L513 HydrophobicContact CD2-CD1 4.25Å; W510-L513 HydrophobicContact CE3-CD1 4.41Å; W510-L513 HydrophobicContact CG-CD1 3.84Å; W510-L513 HydrophobicContact CG-CG 4.48Å; W510-L513 PolarHBondContact O-N 2.82Å; W510-F531 AromaticContact CD1-CE2 4Å; W510-F531 HydrophobicContact CD2-CE1 4.49Å; W510-F531 HydrophobicContact CD2-CE2 4.07Å; W510-F531 AromaticContact CD2-CZ 3.66Å; W510-F531 HydrophobicContact CD2-CZ 3.66Å; W510-F531 AromaticContact CE2-CE2 3.86Å; W510-F531 AromaticContact CE2-CZ 3.52Å; W510-F531 HydrophobicContact CE3-CE1 4.44Å; W510-F531 AromaticContact CE3-CZ 3.98Å; W510-F531 HydrophobicContact CE3-CZ 3.98Å; W510-F531 HydrophobicContact CG-CE2 4.17Å; W510-F531 HydrophobicContact CG-CZ 4.21Å; W510-F531 HydrophobicContact CH2-CZ 4.05Å; W510-F531 HydrophobicContact CZ2-CE2 4.41Å; W510-F531 AromaticContact CZ2-CZ 3.74Å; W510-F531 HydrophobicContact CZ2-CZ 3.74Å; W510-F531 HydrophobicContact CZ3-CZ 4.16Å; W510-F531 AromaticContact NE1-CE2 3.81Å; W510-F531 AromaticContact NE1-CZ 3.97Å; W510-Y540 HydrophobicContact CB-CE2 4.38Å; W510-Y540 AromaticContact CD1-CD1 3.62Å; W510-Y540 AromaticContact CD1-CD2 3.8Å; W510-Y540 AromaticContact CD1-CE1 3.74Å; W510-Y540 AromaticContact CD1-CE2 3.88Å; W510-Y540 AromaticContact CD1-CG 3.66Å; W510-Y540 AromaticContact CD1-CZ 3.87Å; W510-Y540 HydrophobicContact CG-CE2 4.4Å
511	P	86	Confident	88.3	Confident	24 Å²	24	28.9 Å²	28.9	16%	0.156	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.9	-173.5	25.9	-34.5	0	0	0	114.3	F427 L513	F427-P511 HydrophobicContact CD1-CB 3.92Å; F427-P511 HydrophobicContact CE1-CB 4.4Å; P511-L513 VanDerWaalsContact C-N 3.29Å
512	D	87.8	Confident	88.7	Confident	62 Å²	62	27 Å²	27	33%	0.332	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-7	178.6	-40.5	-86.6	0	0	0	113.6	W510 W538 Y540 L545	W510-D512 VanDerWaalsContact C-N 3.32Å; W510-D512 PolarHBondContact O-N 3.04Å; D512-W538 PolarHBondContact O-NE1 2.8Å; D512-W538 VanDerWaalsContact O-NE1 3.15Å; D512-Y540 WeakPolarHBondContact CB-OH 3.44Å; D512-Y540 PolarHBondContact OD2-OH 3.34Å; D512-L545 HydrophobicContact CB-CD2 4.07Å
513	L	90.4	Very high	88.9	Confident	16 Å²	16	26.2 Å²	26.2	8%	0.084	15%	0.147	C	C	.	.	S	Bend	trans	-73.1	144	176.8	-73	-178.7	0	0	0	110.7	V506 W510 P511 I517 F531 W538 Y540	V506-L513 HydrophobicContact CG1-CB 4.3Å; V506-L513 HydrophobicContact CG1-CD1 3.96Å; W510-L513 HydrophobicContact CB-CB 4.27Å; W510-L513 HydrophobicContact CB-CD1 3.39Å; W510-L513 HydrophobicContact CB-CG 3.67Å; W510-L513 HydrophobicContact CD2-CD1 4.25Å; W510-L513 HydrophobicContact CE3-CD1 4.41Å; W510-L513 HydrophobicContact CG-CD1 3.84Å; W510-L513 HydrophobicContact CG-CG 4.48Å; W510-L513 PolarHBondContact O-N 2.82Å; P511-L513 VanDerWaalsContact C-N 3.29Å; L513-I517 HydrophobicContact CD1-CG2 4.34Å; L513-F531 HydrophobicContact CD1-CB 4.3Å; L513-F531 HydrophobicContact CD1-CD1 3.71Å; L513-F531 HydrophobicContact CD1-CD2 3.87Å; L513-F531 HydrophobicContact CD1-CE1 3.91Å; L513-F531 HydrophobicContact CD1-CE2 4.04Å; L513-F531 HydrophobicContact CD1-CG 3.69Å; L513-F531 HydrophobicContact CD1-CZ 4.06Å; L513-F531 HydrophobicContact CD2-CB 3.64Å; L513-F531 HydrophobicContact CD2-CD2 4.08Å; L513-F531 HydrophobicContact CD2-CG 3.87Å; L513-F531 HydrophobicContact CG-CG 4.45Å; L513-W538 HydrophobicContact CD2-CB 3.75Å; L513-W538 HydrophobicContact CD2-CD2 3.83Å; L513-W538 HydrophobicContact CD2-CE3 4.22Å; L513-W538 HydrophobicContact CD2-CG 3.61Å; L513-Y540 HydrophobicContact CD2-CE2 4.11Å; L513-Y540 HydrophobicContact CG-CE2 4.16Å
514	P	89.5	Confident	88.5	Confident	34 Å²	34	28.1 Å²	28.1	22%	0.221	16%	0.159	C	C	.	.			trans	-65.4	163.4	172.7	27.3	-32.8	0	0	0	111.1	K516 S533 W538	P514-K516 PolarHBondContact O-N 3.23Å; P514-S533 VanDerWaalsContact CG-CB 3.4Å; P514-S533 VanDerWaalsContact CG-OG 3.29Å; P514-S533 WeakPolarHBondContact CG-OG 3.39Å; P514-W538 HydrophobicContact CG-CH2 3.91Å; P514-W538 HydrophobicContact CG-CZ2 4.24Å; P514-W538 HydrophobicContact CG-CZ3 4.29Å
515	A	82.9	Confident	88	Confident	62 Å²	62	31.4 Å²	31.4	51%	0.512	18%	0.181	S	C	.	.	S	Bend	trans	-63.4	-10.3	-178.8	0	0	0	0	0	114.6	D487 R488	D487-A515 CarbonylContact C-O 3.58Å; D487-A515 WeakPolarHBondContact CA-O 3.37Å; R488-A515 VanDerWaalsContact CA-O 3.31Å; R488-A515 WeakPolarHBondContact CA-O 3.24Å; R488-A515 HydrophobicContact CB-CB 4.39Å; R488-A515 PolarHBondContact N-O 2.94Å
516	K	89.1	Confident	87.5	Confident	93 Å²	93	34.7 Å²	34.7	40%	0.404	20%	0.196	S	C	.	.			trans	-143.2	134	172.6	-174.4	-171.7	176	-150.1	0	108.7	D473 P514 D518 S533	D473-K516 HydrophobicContact CB-CG 4.43Å; D473-K516 VanDerWaalsContact CG-CE 3.42Å; D473-K516 VanDerWaalsContact OD1-CE 3.3Å; D473-K516 WeakPolarHBondContact OD1-CE 3.17Å; P514-K516 PolarHBondContact O-N 3.23Å; K516-D518 IonicContact NZ-OD1 3.28Å; K516-S533 WeakPolarHBondContact O-CB 3.39Å; K516-S533 PolarHBondContact O-OG 2.87Å
517	I	93.1	Very high	87.2	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.015	23%	0.226	C	C	.	.			trans	-109.1	151.7	172.2	64.5	169	0	0	0	110	D473 A474 F485 L513 A520 F531	D473-I517 WeakPolarHBondContact CB-O 3.3Å; A474-I517 HydrophobicContact CB-CD1 3.9Å; A474-I517 HydrophobicContact CB-CG1 4.12Å; F485-I517 HydrophobicContact CB-CD1 3.74Å; F485-I517 HydrophobicContact CB-CG1 3.96Å; F485-I517 HydrophobicContact CD1-CD1 3.56Å; F485-I517 HydrophobicContact CD1-CG1 4.37Å; F485-I517 HydrophobicContact CD2-CD1 3.79Å; F485-I517 HydrophobicContact CE1-CD1 4.04Å; F485-I517 HydrophobicContact CE2-CD1 4.23Å; F485-I517 HydrophobicContact CG-CD1 3.42Å; F485-I517 VanDerWaalsContact CG-CD1 3.42Å; F485-I517 HydrophobicContact CG-CG1 4.18Å; F485-I517 HydrophobicContact CZ-CD1 4.36Å; L513-I517 HydrophobicContact CD1-CG2 4.34Å; I517-A520 HydrophobicContact CD1-CB 4.25Å; I517-F531 HydrophobicContact CD1-CD1 3.85Å; I517-F531 HydrophobicContact CD1-CE1 4.25Å
518	D	93.2	Very high	87.2	Confident	23 Å²	23	42.1 Å²	42.1	12%	0.123	23%	0.226	C	C	.	.	S	Bend	trans	-102.8	-32.5	-179.4	-59	-40.5	0	0	0	111.8	D473 K516 F532 S533 G534 I565	D473-D518 VanDerWaalsContact O-O 3.08Å; K516-D518 IonicContact NZ-OD1 3.28Å; D518-F532 PolarHBondContact N-O 3.34Å; D518-S533 WeakPolarHBondContact OD2-CA 3.43Å; D518-G534 PolarHBondContact OD2-N 3.49Å; D518-I565 CarbonylContact C-O 3.54Å; D518-I565 VanDerWaalsContact CB-O 3.24Å; D518-I565 WeakPolarHBondContact CB-O 3.46Å
519	A	93.5	Very high	87.5	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154.4	175.4	0	0	0	0	0	111.8	F532 I565 A568	A519-F532 HydrophobicContact CB-CB 4.27Å; A519-F532 HydrophobicContact CB-CD2 3.97Å; A519-F532 PolarHBondContact N-O 3.08Å; A519-F532 PolarHBondContact O-N 3.33Å; A519-I565 HydrophobicContact CB-CG2 4.03Å; A519-A568 HydrophobicContact CB-CB 4.03Å
520	A	94.4	Very high	87.8	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	146.4	174.7	0	0	0	0	0	111.7	A476 I517 V530 F531	A476-A520 HydrophobicContact CB-CB 4.02Å; A476-A520 WeakPolarHBondContact CB-O 3.44Å; I517-A520 HydrophobicContact CD1-CB 4.25Å; A520-V530 CarbonylContact C-O 3.56Å; A520-V530 VanDerWaalsContact CA-O 3.26Å; A520-V530 WeakPolarHBondContact CA-O 3.44Å; A520-F531 HydrophobicContact CB-CD1 3.64Å; A520-F531 HydrophobicContact CB-CE1 3.89Å; A520-F531 HydrophobicContact CB-CG 4.5Å
521	Y	91.7	Very high	88	Confident	8 Å²	8	37.2 Å²	37.2	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	156.9	170	74.6	-80.1	0	0	0	111.9	N523 V530 F532 A568 N570 T577 L579 R588 E591	Y521-N523 HydrophobicContact CE2-CB 4.35Å; Y521-V530 HydrophobicContact CD1-CB 3.93Å; Y521-V530 HydrophobicContact CD1-CG1 4.42Å; Y521-V530 HydrophobicContact CE1-CB 3.45Å; Y521-V530 VanDerWaalsContact CE1-CB 3.45Å; Y521-V530 HydrophobicContact CE1-CG1 3.69Å; Y521-V530 HydrophobicContact CE1-CG2 3.94Å; Y521-V530 HydrophobicContact CE2-CB 4.49Å; Y521-V530 HydrophobicContact CE2-CG2 4.22Å; Y521-V530 PolarHBondContact N-O 2.97Å; Y521-V530 PolarHBondContact O-N 2.84Å; Y521-F532 AromaticContact CD1-CE2 3.85Å; Y521-F532 HydrophobicContact CD1-CE2 3.85Å; Y521-F532 AromaticContact CE1-CE2 3.58Å; Y521-F532 HydrophobicContact CE1-CE2 3.58Å; Y521-F532 AromaticContact CE1-CZ 3.91Å; Y521-F532 HydrophobicContact CE1-CZ 3.91Å; Y521-A568 HydrophobicContact CD1-CB 3.67Å; Y521-A568 HydrophobicContact CE1-CB 4.33Å; Y521-A568 HydrophobicContact CG-CB 4.43Å; Y521-N570 HydrophobicContact CD2-CB 4.37Å; Y521-T577 HydrophobicContact CD1-CG2 4.47Å; Y521-T577 HydrophobicContact CD2-CG2 4.16Å; Y521-T577 HydrophobicContact CE1-CG2 3.95Å; Y521-T577 HydrophobicContact CE2-CG2 3.6Å; Y521-T577 VanDerWaalsContact CZ-CG2 3.49Å; Y521-L579 HydrophobicContact CE1-CD2 4.43Å; Y521-R588 PolarHBondContact OH-NH2 2.9Å; Y521-E591 PolarHBondContact OH-OE1 3.28Å; Y521-E591 VanDerWaalsContact OH-OE1 3.13Å
522	E	89.3	Confident	88.4	Confident	27 Å²	27	36.1 Å²	36.1	13%	0.126	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.3	169.4	-176.6	178.1	-129	0	0	109.7	Q477 R479 P524 K528	Q477-E522 WeakPolarHBondContact O-CB 3.39Å; R479-E522 VanDerWaalsContact N-CD 3.29Å; R479-E522 PolarHBondContact N-OE1 3.47Å; R479-E522 PolarHBondContact N-OE2 3.12Å; R479-E522 VanDerWaalsContact N-OE2 3.08Å; E522-P524 VanDerWaalsContact O-CD 3.31Å; E522-P524 WeakPolarHBondContact O-CD 3.33Å; E522-K528 CarbonylContact C-O 3.24Å; E522-K528 WeakPolarHBondContact CA-O 3.39Å
523	N	84.6	Confident	88.6	Confident	7 Å²	7	34.2 Å²	34.2	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	111.1	166.3	178.2	-7	0	0	0	108.8	Y521 V525 E527 K528 E591	Y521-N523 HydrophobicContact CE2-CB 4.35Å; N523-V525 PolarHBondContact O-N 2.85Å; N523-V525 WeakPolarHBondContact OD1-CB 3.19Å; N523-V525 PolarHBondContact OD1-N 3Å; N523-E527 WeakPolarHBondContact O-CA 3.45Å; N523-E527 PolarHBondContact O-N 2.68Å; N523-K528 PolarHBondContact N-O 3.25Å; N523-K528 PolarHBondContact O-N 2.82Å; N523-E591 PolarHBondContact ND2-OE2 2.93Å
524	P	77.7	Confident	88.7	Confident	46 Å²	46	34.8 Å²	34.8	30%	0.299	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-10.4	-176.7	31.2	-36.6	0	0	0	114	E522	E522-P524 VanDerWaalsContact O-CD 3.31Å; E522-P524 WeakPolarHBondContact O-CD 3.33Å
525	V	76.3	Confident	88.7	Confident	105 Å²	105	36.6 Å²	36.6	64%	0.636	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-44.6	179.6	-177.9	0	0	0	0	110.9	N523	N523-V525 PolarHBondContact O-N 2.85Å; N523-V525 WeakPolarHBondContact OD1-CB 3.19Å; N523-V525 PolarHBondContact OD1-N 3Å
526	E	77.2	Confident	89.1	Confident	80 Å²	80	37 Å²	37	37%	0.374	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-6.9	-179.3	-61.8	-168.1	-174.2	0	0	113.2	K528	E526-K528 HydrophobicContact CB-CB 4.39Å; E526-K528 HydrophobicContact CB-CD 4.01Å; E526-K528 HydrophobicContact CB-CG 3.93Å; E526-K528 PolarHBondContact O-N 2.87Å; E526-K528 WeakPolarHBondContact OE2-CD 3.34Å; E526-K528 VanDerWaalsContact OE2-CE 3.23Å; E526-K528 WeakPolarHBondContact OE2-CE 3.49Å; E526-K528 IonicContact OE2-NZ 3.02Å; E526-K528 PolarHBondContact OE2-NZ 3.32Å
527	E	83.9	Confident	89.3	Confident	145 Å²	145	32.7 Å²	32.7	68%	0.678	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	40.1	-172.4	-59.9	-177.5	170.8	0	0	112	N523	N523-E527 WeakPolarHBondContact O-CA 3.45Å; N523-E527 PolarHBondContact O-N 2.68Å
528	K	88.9	Confident	89.3	Confident	39 Å²	39	33.2 Å²	33.2	17%	0.17	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136.5	178.8	-68.9	-178.5	-174.4	169.3	0	110.9	E522 N523 E526 V539 Y540 K541 E546	E522-K528 CarbonylContact C-O 3.24Å; E522-K528 WeakPolarHBondContact CA-O 3.39Å; N523-K528 PolarHBondContact N-O 3.25Å; N523-K528 PolarHBondContact O-N 2.82Å; E526-K528 HydrophobicContact CB-CB 4.39Å; E526-K528 HydrophobicContact CB-CD 4.01Å; E526-K528 HydrophobicContact CB-CG 3.93Å; E526-K528 PolarHBondContact O-N 2.87Å; E526-K528 WeakPolarHBondContact OE2-CD 3.34Å; E526-K528 VanDerWaalsContact OE2-CE 3.23Å; E526-K528 WeakPolarHBondContact OE2-CE 3.49Å; E526-K528 IonicContact OE2-NZ 3.02Å; E526-K528 PolarHBondContact OE2-NZ 3.32Å; K528-V539 HydrophobicContact CB-CG1 4.06Å; K528-V539 HydrophobicContact CD-CG1 3.85Å; K528-V539 HydrophobicContact CG-CG1 4.37Å; K528-Y540 CarbonylContact C-O 3.42Å; K528-Y540 VanDerWaalsContact CA-O 3.27Å; K528-Y540 WeakPolarHBondContact CA-O 3.34Å; K528-K541 HydrophobicContact CG-CB 4.36Å; K528-E546 WeakPolarHBondContact CE-OE1 3.22Å; K528-E546 IonicContact NZ-OE1 2.68Å; K528-E546 PolarHBondContact NZ-OE1 2.57Å
529	T	92.1	Very high	89.2	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.5	174.1	-51.6	0	0	0	0	108.9	I478 F531 V539 Y540	I478-T529 HydrophobicContact CD1-CG2 3.73Å; I478-T529 HydrophobicContact CG1-CG2 3.9Å; I478-T529 HydrophobicContact CG2-CG2 4.25Å; I478-T529 WeakPolarHBondContact CG2-OG1 3.38Å; T529-F531 HydrophobicContact CG2-CD2 4.18Å; T529-F531 HydrophobicContact CG2-CE1 4.3Å; T529-F531 HydrophobicContact CG2-CE2 3.43Å; T529-F531 VanDerWaalsContact CG2-CE2 3.43Å; T529-F531 HydrophobicContact CG2-CZ 3.49Å; T529-F531 VanDerWaalsContact CG2-CZ 3.49Å; T529-V539 CarbonylContact O-C 3.57Å; T529-V539 WeakPolarHBondContact O-CA 3.28Å; T529-Y540 PolarHBondContact N-O 3.22Å; T529-Y540 PolarHBondContact O-N 2.89Å
530	V	92	Very high	89.1	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130	-179.4	-175.9	0	0	0	0	108.7	A520 Y521 F532 M537 W538 V539	A520-V530 CarbonylContact C-O 3.56Å; A520-V530 VanDerWaalsContact CA-O 3.26Å; A520-V530 WeakPolarHBondContact CA-O 3.44Å; Y521-V530 HydrophobicContact CD1-CB 3.93Å; Y521-V530 HydrophobicContact CD1-CG1 4.42Å; Y521-V530 HydrophobicContact CE1-CB 3.45Å; Y521-V530 VanDerWaalsContact CE1-CB 3.45Å; Y521-V530 HydrophobicContact CE1-CG1 3.69Å; Y521-V530 HydrophobicContact CE1-CG2 3.94Å; Y521-V530 HydrophobicContact CE2-CB 4.49Å; Y521-V530 HydrophobicContact CE2-CG2 4.22Å; Y521-V530 PolarHBondContact N-O 2.97Å; Y521-V530 PolarHBondContact O-N 2.84Å; V530-F532 HydrophobicContact CG1-CE1 4.24Å; V530-F532 HydrophobicContact CG1-CE2 3.91Å; V530-F532 HydrophobicContact CG1-CZ 3.72Å; V530-M537 HydrophobicContact CG1-CE 3.62Å; V530-W538 CarbonylContact C-O 3.58Å; V530-W538 WeakPolarHBondContact CA-O 3.19Å; V530-V539 HydrophobicContact CG1-CG2 4.27Å; V530-V539 HydrophobicContact CG2-CG1 4.33Å; V530-V539 HydrophobicContact CG2-CG2 4.12Å
531	F	94.4	Very high	88.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	146.1	176.1	-61.3	-88.9	0	0	0	110.1	I478 F485 W510 L513 I517 A520 T529 M537 W538 Y540	I478-F531 HydrophobicContact CD1-CE1 4.49Å; I478-F531 HydrophobicContact CD1-CZ 4.22Å; F485-F531 HydrophobicContact CE1-CE1 4.14Å; F485-F531 HydrophobicContact CE2-CE1 4.45Å; F485-F531 AromaticContact CZ-CE1 3.79Å; F485-F531 HydrophobicContact CZ-CE1 3.79Å; F485-F531 HydrophobicContact CZ-CZ 4.49Å; W510-F531 AromaticContact CD1-CE2 4Å; W510-F531 HydrophobicContact CD2-CE1 4.49Å; W510-F531 HydrophobicContact CD2-CE2 4.07Å; W510-F531 AromaticContact CD2-CZ 3.66Å; W510-F531 HydrophobicContact CD2-CZ 3.66Å; W510-F531 AromaticContact CE2-CE2 3.86Å; W510-F531 AromaticContact CE2-CZ 3.52Å; W510-F531 HydrophobicContact CE3-CE1 4.44Å; W510-F531 AromaticContact CE3-CZ 3.98Å; W510-F531 HydrophobicContact CE3-CZ 3.98Å; W510-F531 HydrophobicContact CG-CE2 4.17Å; W510-F531 HydrophobicContact CG-CZ 4.21Å; W510-F531 HydrophobicContact CH2-CZ 4.05Å; W510-F531 HydrophobicContact CZ2-CE2 4.41Å; W510-F531 AromaticContact CZ2-CZ 3.74Å; W510-F531 HydrophobicContact CZ2-CZ 3.74Å; W510-F531 HydrophobicContact CZ3-CZ 4.16Å; W510-F531 AromaticContact NE1-CE2 3.81Å; W510-F531 AromaticContact NE1-CZ 3.97Å; L513-F531 HydrophobicContact CD1-CB 4.3Å; L513-F531 HydrophobicContact CD1-CD1 3.71Å; L513-F531 HydrophobicContact CD1-CD2 3.87Å; L513-F531 HydrophobicContact CD1-CE1 3.91Å; L513-F531 HydrophobicContact CD1-CE2 4.04Å; L513-F531 HydrophobicContact CD1-CG 3.69Å; L513-F531 HydrophobicContact CD1-CZ 4.06Å; L513-F531 HydrophobicContact CD2-CB 3.64Å; L513-F531 HydrophobicContact CD2-CD2 4.08Å; L513-F531 HydrophobicContact CD2-CG 3.87Å; L513-F531 HydrophobicContact CG-CG 4.45Å; I517-F531 HydrophobicContact CD1-CD1 3.85Å; I517-F531 HydrophobicContact CD1-CE1 4.25Å; A520-F531 HydrophobicContact CB-CD1 3.64Å; A520-F531 HydrophobicContact CB-CE1 3.89Å; A520-F531 HydrophobicContact CB-CG 4.5Å; T529-F531 HydrophobicContact CG2-CD2 4.18Å; T529-F531 HydrophobicContact CG2-CE1 4.3Å; T529-F531 HydrophobicContact CG2-CE2 3.43Å; T529-F531 VanDerWaalsContact CG2-CE2 3.43Å; T529-F531 HydrophobicContact CG2-CZ 3.49Å; T529-F531 VanDerWaalsContact CG2-CZ 3.49Å; F531-M537 CarbonylContact O-C 3.53Å; F531-M537 VanDerWaalsContact O-CA 3.28Å; F531-M537 WeakPolarHBondContact O-CA 3.22Å; F531-W538 HydrophobicContact CB-CB 4.39Å; F531-W538 PolarHBondContact N-O 3.29Å; F531-W538 PolarHBondContact O-N 3.48Å; F531-Y540 AromaticContact CD2-CD2 3.77Å; F531-Y540 HydrophobicContact CD2-CD2 3.77Å; F531-Y540 HydrophobicContact CD2-CE2 4.19Å; F531-Y540 AromaticContact CE2-CD2 3.81Å; F531-Y540 HydrophobicContact CE2-CD2 3.81Å; F531-Y540 HydrophobicContact CE2-CE2 4.39Å
532	F	94.1	Very high	88.2	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139	175.9	-61.4	-76.5	0	0	0	110	D518 A519 Y521 V530 M537 L553 L556 I565 A568 L579	D518-F532 PolarHBondContact N-O 3.34Å; A519-F532 HydrophobicContact CB-CB 4.27Å; A519-F532 HydrophobicContact CB-CD2 3.97Å; A519-F532 PolarHBondContact N-O 3.08Å; A519-F532 PolarHBondContact O-N 3.33Å; Y521-F532 AromaticContact CD1-CE2 3.85Å; Y521-F532 HydrophobicContact CD1-CE2 3.85Å; Y521-F532 AromaticContact CE1-CE2 3.58Å; Y521-F532 HydrophobicContact CE1-CE2 3.58Å; Y521-F532 AromaticContact CE1-CZ 3.91Å; Y521-F532 HydrophobicContact CE1-CZ 3.91Å; V530-F532 HydrophobicContact CG1-CE1 4.24Å; V530-F532 HydrophobicContact CG1-CE2 3.91Å; V530-F532 HydrophobicContact CG1-CZ 3.72Å; F532-M537 HydrophobicContact CD1-CB 3.73Å; F532-M537 HydrophobicContact CE1-CB 3.77Å; F532-M537 HydrophobicContact CE1-CE 4.39Å; F532-L553 HydrophobicContact CD1-CD2 3.58Å; F532-L553 HydrophobicContact CE1-CD2 3.79Å; F532-L556 HydrophobicContact CE1-CD1 3.84Å; F532-L556 HydrophobicContact CZ-CD1 4.38Å; F532-I565 HydrophobicContact CB-CB 4.3Å; F532-I565 HydrophobicContact CD1-CG1 4.32Å; F532-I565 HydrophobicContact CD2-CG2 4.36Å; F532-I565 HydrophobicContact CG-CB 4.26Å; F532-I565 HydrophobicContact CG-CG1 4.45Å; F532-A568 HydrophobicContact CD2-CB 4.07Å; F532-A568 HydrophobicContact CE2-CB 3.71Å; F532-L579 HydrophobicContact CE2-CD2 3.9Å; F532-L579 HydrophobicContact CZ-CD2 3.85Å
533	S	93.3	Very high	87.6	Confident	22 Å²	22	43 Å²	43	15%	0.154	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	121.7	171.1	-175.1	0	0	0	0	108.5	P514 K516 D518 D535 E536	P514-S533 VanDerWaalsContact CG-CB 3.4Å; P514-S533 VanDerWaalsContact CG-OG 3.29Å; P514-S533 WeakPolarHBondContact CG-OG 3.39Å; K516-S533 WeakPolarHBondContact O-CB 3.39Å; K516-S533 PolarHBondContact O-OG 2.87Å; D518-S533 WeakPolarHBondContact OD2-CA 3.43Å; S533-D535 PolarHBondContact O-N 3.35Å; S533-E536 PolarHBondContact N-O 3Å; S533-E536 VanDerWaalsContact N-O 3.15Å; S533-E536 PolarHBondContact O-N 3.33Å; S533-E536 VanDerWaalsContact O-N 3.16Å
534	G	90.8	Very high	87.5	Confident	28 Å²	28	50 Å²	50	29%	0.289	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-131.6	-172.9	0	0	0	0	0	112.3	D518 E536 Q563	D518-G534 PolarHBondContact OD2-N 3.49Å; G534-E536 VanDerWaalsContact C-N 3.29Å; G534-E536 PolarHBondContact O-N 3.48Å; G534-Q563 CarbonylContact C-O 3.46Å
535	D	89.5	Confident	87.9	Confident	72 Å²	72	50.1 Å²	50.1	39%	0.385	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	12.1	-179.5	75.7	-38.3	0	0	0	113.8	S533 R552 L553 Q563	S533-D535 PolarHBondContact O-N 3.35Å; D535-R552 CarbonylContact O-C 3.53Å; D535-R552 WeakPolarHBondContact O-CA 3.41Å; D535-R552 IonicContact OD2-NH1 2.84Å; D535-L553 PolarHBondContact O-N 3.45Å; D535-Q563 PolarHBondContact N-O 2.54Å
536	E	92.1	Very high	88.5	Confident	70 Å²	70	48 Å²	48	33%	0.327	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	155.7	-176	-65	-171.1	137.3	0	0	113.2	S533 G534 W538 P550 K551	S533-E536 PolarHBondContact N-O 3Å; S533-E536 VanDerWaalsContact N-O 3.15Å; S533-E536 PolarHBondContact O-N 3.33Å; S533-E536 VanDerWaalsContact O-N 3.16Å; G534-E536 VanDerWaalsContact C-N 3.29Å; G534-E536 PolarHBondContact O-N 3.48Å; E536-W538 HydrophobicContact CB-CE3 4.47Å; E536-W538 HydrophobicContact CB-CH2 3.47Å; E536-W538 VanDerWaalsContact CB-CH2 3.47Å; E536-W538 HydrophobicContact CB-CZ2 4.31Å; E536-W538 HydrophobicContact CB-CZ3 3.57Å; E536-W538 HydrophobicContact CG-CH2 4.48Å; E536-P550 HydrophobicContact CB-CB 4.36Å; E536-K551 CarbonylContact C-O 3.54Å; E536-K551 WeakPolarHBondContact CA-O 2.99Å
537	M	92.3	Very high	88.7	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.7	175.1	69.1	173.2	-58.7	0	0	111.4	V530 F531 F532 V539 Y549 P550 K551 L553 L556	V530-M537 HydrophobicContact CG1-CE 3.62Å; F531-M537 CarbonylContact O-C 3.53Å; F531-M537 VanDerWaalsContact O-CA 3.28Å; F531-M537 WeakPolarHBondContact O-CA 3.22Å; F532-M537 HydrophobicContact CD1-CB 3.73Å; F532-M537 HydrophobicContact CE1-CB 3.77Å; F532-M537 HydrophobicContact CE1-CE 4.39Å; M537-V539 HydrophobicContact CE-CG2 3.59Å; M537-Y549 HydrophobicContact CE-CE1 3.91Å; M537-Y549 HydrophobicContact CG-CD1 4.12Å; M537-Y549 HydrophobicContact CG-CE1 3.93Å; M537-Y549 WeakPolarHBondContact O-CD1 3.2Å; M537-Y549 HydrophobicContact SD-CE1 3.91Å; M537-P550 WeakPolarHBondContact O-CA 3.04Å; M537-K551 HydrophobicContact CG-CB 4.21Å; M537-K551 WeakPolarHBondContact CG-O 3.31Å; M537-K551 PolarHBondContact N-O 2.88Å; M537-K551 PolarHBondContact O-N 3.34Å; M537-L553 HydrophobicContact CB-CD2 4.47Å; M537-L556 HydrophobicContact CE-CD1 4.23Å; M537-L556 HydrophobicContact CE-CD2 4.02Å; M537-L556 HydrophobicContact CE-CG 4.44Å; M537-L556 HydrophobicContact SD-CD1 3.52Å; M537-L556 VanDerWaalsContact SD-CD1 3.52Å; M537-L556 HydrophobicContact SD-CD2 3.64Å; M537-L556 HydrophobicContact SD-CG 3.51Å; M537-L556 VanDerWaalsContact SD-CG 3.51Å
538	W	93.4	Very high	88.6	Confident	14 Å²	14	47.2 Å²	47.2	5%	0.053	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.8	173.8	-65.5	-111.5	0	0	0	108.8	D512 L513 P514 V530 F531 E536 Y540 L545 P550	D512-W538 PolarHBondContact O-NE1 2.8Å; D512-W538 VanDerWaalsContact O-NE1 3.15Å; L513-W538 HydrophobicContact CD2-CB 3.75Å; L513-W538 HydrophobicContact CD2-CD2 3.83Å; L513-W538 HydrophobicContact CD2-CE3 4.22Å; L513-W538 HydrophobicContact CD2-CG 3.61Å; P514-W538 HydrophobicContact CG-CH2 3.91Å; P514-W538 HydrophobicContact CG-CZ2 4.24Å; P514-W538 HydrophobicContact CG-CZ3 4.29Å; V530-W538 CarbonylContact C-O 3.58Å; V530-W538 WeakPolarHBondContact CA-O 3.19Å; F531-W538 HydrophobicContact CB-CB 4.39Å; F531-W538 PolarHBondContact N-O 3.29Å; F531-W538 PolarHBondContact O-N 3.48Å; E536-W538 HydrophobicContact CB-CE3 4.47Å; E536-W538 HydrophobicContact CB-CH2 3.47Å; E536-W538 VanDerWaalsContact CB-CH2 3.47Å; E536-W538 HydrophobicContact CB-CZ2 4.31Å; E536-W538 HydrophobicContact CB-CZ3 3.57Å; E536-W538 HydrophobicContact CG-CH2 4.48Å; W538-Y540 HydrophobicContact CB-CD2 4.36Å; W538-Y540 HydrophobicContact CB-CE2 3.92Å; W538-L545 HydrophobicContact CB-CD1 3.99Å; W538-L545 HydrophobicContact CG-CD1 4.32Å; W538-P550 HydrophobicContact CD2-CB 3.95Å; W538-P550 HydrophobicContact CG-CB 4.27Å; W538-P550 HydrophobicContact CH2-CB 4.4Å; W538-P550 HydrophobicContact CZ2-CB 3.79Å; W538-P550 HydrophobicContact CZ2-CG 4.1Å
539	V	92	Very high	88.5	Confident	8 Å²	8	48 Å²	48	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121	176.8	-177.7	0	0	0	0	107.9	K528 T529 V530 M537 E546 Y549	K528-V539 HydrophobicContact CB-CG1 4.06Å; K528-V539 HydrophobicContact CD-CG1 3.85Å; K528-V539 HydrophobicContact CG-CG1 4.37Å; T529-V539 CarbonylContact O-C 3.57Å; T529-V539 WeakPolarHBondContact O-CA 3.28Å; V530-V539 HydrophobicContact CG1-CG2 4.27Å; V530-V539 HydrophobicContact CG2-CG1 4.33Å; V530-V539 HydrophobicContact CG2-CG2 4.12Å; M537-V539 HydrophobicContact CE-CG2 3.59Å; V539-E546 HydrophobicContact CB-CB 4.27Å; V539-E546 HydrophobicContact CG1-CB 4.41Å; V539-E546 HydrophobicContact CG1-CG 4.12Å; V539-E546 VanDerWaalsContact O-CB 3.3Å; V539-E546 WeakPolarHBondContact O-CB 3.21Å; V539-E546 PolarHBondContact O-N 3.02Å; V539-Y549 HydrophobicContact CB-CD1 4.34Å; V539-Y549 HydrophobicContact CB-CD2 3.96Å; V539-Y549 HydrophobicContact CB-CE1 4.22Å; V539-Y549 HydrophobicContact CB-CE2 3.79Å; V539-Y549 HydrophobicContact CB-CG 4.22Å; V539-Y549 HydrophobicContact CG2-CD1 3.87Å; V539-Y549 HydrophobicContact CG2-CD2 4.22Å; V539-Y549 HydrophobicContact CG2-CE1 3.42Å; V539-Y549 VanDerWaalsContact CG2-CE1 3.42Å; V539-Y549 HydrophobicContact CG2-CE2 3.79Å; V539-Y549 HydrophobicContact CG2-CG 4.25Å
540	Y	90.9	Very high	88.4	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.3	177.2	-76.6	-93.9	0	0	0	109.9	W510 D512 L513 K528 T529 F531 W538 E544 L545	W510-Y540 HydrophobicContact CB-CE2 4.38Å; W510-Y540 AromaticContact CD1-CD1 3.62Å; W510-Y540 AromaticContact CD1-CD2 3.8Å; W510-Y540 AromaticContact CD1-CE1 3.74Å; W510-Y540 AromaticContact CD1-CE2 3.88Å; W510-Y540 AromaticContact CD1-CG 3.66Å; W510-Y540 AromaticContact CD1-CZ 3.87Å; W510-Y540 HydrophobicContact CG-CE2 4.4Å; D512-Y540 WeakPolarHBondContact CB-OH 3.44Å; D512-Y540 PolarHBondContact OD2-OH 3.34Å; L513-Y540 HydrophobicContact CD2-CE2 4.11Å; L513-Y540 HydrophobicContact CG-CE2 4.16Å; K528-Y540 CarbonylContact C-O 3.42Å; K528-Y540 VanDerWaalsContact CA-O 3.27Å; K528-Y540 WeakPolarHBondContact CA-O 3.34Å; T529-Y540 PolarHBondContact N-O 3.22Å; T529-Y540 PolarHBondContact O-N 2.89Å; F531-Y540 AromaticContact CD2-CD2 3.77Å; F531-Y540 HydrophobicContact CD2-CD2 3.77Å; F531-Y540 HydrophobicContact CD2-CE2 4.19Å; F531-Y540 AromaticContact CE2-CD2 3.81Å; F531-Y540 HydrophobicContact CE2-CD2 3.81Å; F531-Y540 HydrophobicContact CE2-CE2 4.39Å; W538-Y540 HydrophobicContact CB-CD2 4.36Å; W538-Y540 HydrophobicContact CB-CE2 3.92Å; Y540-E544 VanDerWaalsContact CA-O 3.32Å; Y540-E544 WeakPolarHBondContact CA-O 3.16Å; Y540-E544 VanDerWaalsContact CD1-C 3.42Å; Y540-E544 WeakPolarHBondContact CD1-O 3.38Å; Y540-L545 HydrophobicContact CD1-CB 4.19Å; Y540-L545 HydrophobicContact CD2-CD1 4.15Å; Y540-L545 HydrophobicContact CE1-CB 3.68Å; Y540-L545 HydrophobicContact CE1-CD1 4.22Å; Y540-L545 HydrophobicContact CE2-CD1 3.72Å
541	K	87.1	Confident	88.3	Confident	121 Å²	121	53.7 Å²	53.7	53%	0.526	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.8	165.2	-175	-177.3	178.9	-173.9	0	106.7	K528 D543 E544 E546	K528-K541 HydrophobicContact CG-CB 4.36Å; K541-D543 PolarHBondContact O-N 2.91Å; K541-E544 PolarHBondContact N-O 2.82Å; K541-E544 PolarHBondContact O-N 3.44Å; K541-E544 VanDerWaalsContact O-N 3.14Å; K541-E546 HydrophobicContact CB-CG 4.27Å
542	A	80.5	Confident	88.1	Confident	36 Å²	36	61.1 Å²	61.1	30%	0.298	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-116.1	-163.8	0	0	0	0	0	111.7
543	D	76.4	Confident	87.8	Confident	99 Å²	99	61.2 Å²	61.2	53%	0.529	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	3.8	-177.8	-48.2	-33.7	0	0	0	110.9	R479 K541	R479-D543 IonicContact NH1-OD1 2.7Å; R479-D543 PolarHBondContact NH1-OD1 2.92Å; R479-D543 IonicContact NH1-OD2 3.93Å; K541-D543 PolarHBondContact O-N 2.91Å
544	E	81.7	Confident	87.4	Confident	154 Å²	154	63.2 Å²	63.2	72%	0.72	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.6	-179.4	-66.8	179	-177.1	0	0	111.4	Y540 K541 E546	Y540-E544 VanDerWaalsContact CA-O 3.32Å; Y540-E544 WeakPolarHBondContact CA-O 3.16Å; Y540-E544 VanDerWaalsContact CD1-C 3.42Å; Y540-E544 WeakPolarHBondContact CD1-O 3.38Å; K541-E544 PolarHBondContact N-O 2.82Å; K541-E544 PolarHBondContact O-N 3.44Å; K541-E544 VanDerWaalsContact O-N 3.14Å; E544-E546 PolarHBondContact O-N 2.82Å
545	L	87.9	Confident	87.1	Confident	50 Å²	50	64.1 Å²	64.1	26%	0.262	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	126.4	174	-177.8	66	0	0	0	109.8	D512 W538 Y540	D512-L545 HydrophobicContact CB-CD2 4.07Å; W538-L545 HydrophobicContact CB-CD1 3.99Å; W538-L545 HydrophobicContact CG-CD1 4.32Å; Y540-L545 HydrophobicContact CD1-CB 4.19Å; Y540-L545 HydrophobicContact CD2-CD1 4.15Å; Y540-L545 HydrophobicContact CE1-CB 3.68Å; Y540-L545 HydrophobicContact CE1-CD1 4.22Å; Y540-L545 HydrophobicContact CE2-CD1 3.72Å
546	E	87.3	Confident	86.6	Confident	59 Å²	59	61.2 Å²	61.2	28%	0.276	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-63.8	145.2	176.8	-83.3	-93.8	176.3	0	0	111.4	K528 V539 K541 E544 G548 Y549	K528-E546 WeakPolarHBondContact CE-OE1 3.22Å; K528-E546 IonicContact NZ-OE1 2.68Å; K528-E546 PolarHBondContact NZ-OE1 2.57Å; V539-E546 HydrophobicContact CB-CB 4.27Å; V539-E546 HydrophobicContact CG1-CB 4.41Å; V539-E546 HydrophobicContact CG1-CG 4.12Å; V539-E546 VanDerWaalsContact O-CB 3.3Å; V539-E546 WeakPolarHBondContact O-CB 3.21Å; V539-E546 PolarHBondContact O-N 3.02Å; K541-E546 HydrophobicContact CB-CG 4.27Å; E544-E546 PolarHBondContact O-N 2.82Å; E546-G548 PolarHBondContact O-N 2.96Å; E546-Y549 HydrophobicContact CB-CD2 3.67Å; E546-Y549 HydrophobicContact CB-CE2 3.97Å; E546-Y549 WeakPolarHBondContact O-CB 3.34Å; E546-Y549 WeakPolarHBondContact O-CD2 3.34Å; E546-Y549 PolarHBondContact O-N 2.84Å
547	R	81.7	Confident	86	Confident	159 Å²	159	60 Å²	60	60%	0.6	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	135.3	-173.7	-175.8	170.7	162.9	-167.5	-14	112.3	E243 Y263 Y549	E243-R547 IonicContact OE1-CZ 3.67Å; E243-R547 VanDerWaalsContact OE1-CZ 3.29Å; E243-R547 IonicContact OE1-NE 2.71Å; E243-R547 IonicContact OE1-NH1 3.84Å; E243-R547 PolarHBondContact OE1-NH1 2.95Å; Y263-R547 PolarHBondContact OH-NE 3.29Å; Y263-R547 PolarHBondContact OH-NH1 3.41Å; Y263-R547 VanDerWaalsContact OH-NH1 3.16Å; Y263-R547 PolarHBondContact OH-NH2 3.12Å; R547-Y549 VanDerWaalsContact C-N 3.31Å
548	G	82.6	Confident	85.6	Confident	51 Å²	51	60.2 Å²	60.2	53%	0.526	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	9	179.4	0	0	0	0	0	114.1	E546 K551	E546-G548 PolarHBondContact O-N 2.96Å; G548-K551 WeakPolarHBondContact O-CE 3.38Å; G548-K551 WeakPolarHBondContact O-CG 3.04Å
549	Y	86.2	Confident	85.1	Confident	56 Å²	56	62.3 Å²	62.3	22%	0.22	33%	0.332	C	S	.	.			trans	-95.7	152.2	164.1	-69.2	-83.1	0	0	0	110.4	M537 V539 E546 R547 K551	M537-Y549 HydrophobicContact CE-CE1 3.91Å; M537-Y549 HydrophobicContact CG-CD1 4.12Å; M537-Y549 HydrophobicContact CG-CE1 3.93Å; M537-Y549 WeakPolarHBondContact O-CD1 3.2Å; M537-Y549 HydrophobicContact SD-CE1 3.91Å; V539-Y549 HydrophobicContact CB-CD1 4.34Å; V539-Y549 HydrophobicContact CB-CD2 3.96Å; V539-Y549 HydrophobicContact CB-CE1 4.22Å; V539-Y549 HydrophobicContact CB-CE2 3.79Å; V539-Y549 HydrophobicContact CB-CG 4.22Å; V539-Y549 HydrophobicContact CG2-CD1 3.87Å; V539-Y549 HydrophobicContact CG2-CD2 4.22Å; V539-Y549 HydrophobicContact CG2-CE1 3.42Å; V539-Y549 VanDerWaalsContact CG2-CE1 3.42Å; V539-Y549 HydrophobicContact CG2-CE2 3.79Å; V539-Y549 HydrophobicContact CG2-CG 4.25Å; E546-Y549 HydrophobicContact CB-CD2 3.67Å; E546-Y549 HydrophobicContact CB-CE2 3.97Å; E546-Y549 WeakPolarHBondContact O-CB 3.34Å; E546-Y549 WeakPolarHBondContact O-CD2 3.34Å; E546-Y549 PolarHBondContact O-N 2.84Å; R547-Y549 VanDerWaalsContact C-N 3.31Å; Y549-K551 HydrophobicContact CD1-CB 3.94Å; Y549-K551 HydrophobicContact CD1-CD 4.06Å; Y549-K551 HydrophobicContact CD1-CG 3.7Å; Y549-K551 HydrophobicContact CE1-CB 4.01Å; Y549-K551 HydrophobicContact CE1-CD 3.7Å; Y549-K551 HydrophobicContact CE1-CG 3.83Å; Y549-K551 HydrophobicContact CG-CG 4.31Å
550	P	90.3	Very high	84.6	Confident	57 Å²	57	68.1 Å²	68.1	37%	0.37	37%	0.368	S	S	.	.	S	Bend	cis	-68.3	149.3	1.8	26.2	-32.9	0	0	0	114.4	E536 M537 W538	E536-P550 HydrophobicContact CB-CB 4.36Å; M537-P550 WeakPolarHBondContact O-CA 3.04Å; W538-P550 HydrophobicContact CD2-CB 3.95Å; W538-P550 HydrophobicContact CG-CB 4.27Å; W538-P550 HydrophobicContact CH2-CB 4.4Å; W538-P550 HydrophobicContact CZ2-CB 3.79Å; W538-P550 HydrophobicContact CZ2-CG 4.1Å
551	K	90	Very high	84.2	Confident	67 Å²	67	73.4 Å²	73.4	29%	0.291	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.4	174	-67.7	-174.6	-176	170.5	0	110	E536 M537 G548 Y549	E536-K551 CarbonylContact C-O 3.54Å; E536-K551 WeakPolarHBondContact CA-O 2.99Å; M537-K551 HydrophobicContact CG-CB 4.21Å; M537-K551 WeakPolarHBondContact CG-O 3.31Å; M537-K551 PolarHBondContact N-O 2.88Å; M537-K551 PolarHBondContact O-N 3.34Å; G548-K551 WeakPolarHBondContact O-CE 3.38Å; G548-K551 WeakPolarHBondContact O-CG 3.04Å; Y549-K551 HydrophobicContact CD1-CB 3.94Å; Y549-K551 HydrophobicContact CD1-CD 4.06Å; Y549-K551 HydrophobicContact CD1-CG 3.7Å; Y549-K551 HydrophobicContact CE1-CB 4.01Å; Y549-K551 HydrophobicContact CE1-CD 3.7Å; Y549-K551 HydrophobicContact CE1-CG 3.83Å; Y549-K551 HydrophobicContact CG-CG 4.31Å
552	R	90.6	Very high	84.1	Confident	156 Å²	156	68.3 Å²	68.3	59%	0.589	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	149.1	172.7	-66.9	-172.2	-179.9	-148.3	-0.4	112.1	D535 S554 S555	D535-R552 CarbonylContact O-C 3.53Å; D535-R552 WeakPolarHBondContact O-CA 3.41Å; D535-R552 IonicContact OD2-NH1 2.84Å; R552-S554 PolarHBondContact O-N 3.43Å; R552-S554 VanDerWaalsContact O-N 3.12Å; R552-S555 VanDerWaalsContact O-CB 3.31Å; R552-S555 WeakPolarHBondContact O-CB 3.4Å; R552-S555 PolarHBondContact O-N 3.15Å; R552-S555 PolarHBondContact O-OG 3.36Å
553	L	87.1	Confident	84.3	Confident	4 Å²	4	73.6 Å²	73.6	2%	0.021	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-56.2	-28.6	175.7	-67.3	-178.9	0	0	0	113.3	F532 D535 M537 S555 L556 L558 V562 I565	F532-L553 HydrophobicContact CD1-CD2 3.58Å; F532-L553 HydrophobicContact CE1-CD2 3.79Å; D535-L553 PolarHBondContact O-N 3.45Å; M537-L553 HydrophobicContact CB-CD2 4.47Å; L553-S555 PolarHBondContact O-N 2.88Å; L553-L556 HydrophobicContact CD2-CD1 4.12Å; L553-L556 VanDerWaalsContact O-CB 3.31Å; L553-L556 WeakPolarHBondContact O-CB 3.41Å; L553-L556 PolarHBondContact O-N 2.66Å; L553-L558 HydrophobicContact CB-CD1 4.13Å; L553-L558 HydrophobicContact CD2-CD1 4.39Å; L553-V562 HydrophobicContact CD1-CG1 4.49Å; L553-I565 HydrophobicContact CD1-CG1 4.06Å; L553-I565 HydrophobicContact CD2-CG1 4.2Å
554	S	84.6	Confident	85	Confident	64 Å²	64	73 Å²	73	45%	0.448	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-59	-27.2	175.2	57.5	0	0	0	0	113.3	R552 L556 G557	R552-S554 PolarHBondContact O-N 3.43Å; R552-S554 VanDerWaalsContact O-N 3.12Å; S554-L556 PolarHBondContact O-N 3.36Å; S554-G557 PolarHBondContact O-N 2.84Å; S554-G557 VanDerWaalsContact O-N 3.1Å
555	S	84.3	Confident	85.5	Confident	47 Å²	47	65.7 Å²	65.7	33%	0.329	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-68.5	-17.3	175.3	71.2	0	0	0	0	113.6	R552 L553 G557	R552-S555 VanDerWaalsContact O-CB 3.31Å; R552-S555 WeakPolarHBondContact O-CB 3.4Å; R552-S555 PolarHBondContact O-N 3.15Å; R552-S555 PolarHBondContact O-OG 3.36Å; L553-S555 PolarHBondContact O-N 2.88Å; S555-G557 VanDerWaalsContact C-N 3.26Å
556	L	79.3	Confident	85.7	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.052	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-82.5	-1.7	172.8	-67.2	169.6	0	0	0	113.2	F532 M537 L553 S554 L558 L579 M596	F532-L556 HydrophobicContact CE1-CD1 3.84Å; F532-L556 HydrophobicContact CZ-CD1 4.38Å; M537-L556 HydrophobicContact CE-CD1 4.23Å; M537-L556 HydrophobicContact CE-CD2 4.02Å; M537-L556 HydrophobicContact CE-CG 4.44Å; M537-L556 HydrophobicContact SD-CD1 3.52Å; M537-L556 VanDerWaalsContact SD-CD1 3.52Å; M537-L556 HydrophobicContact SD-CD2 3.64Å; M537-L556 HydrophobicContact SD-CG 3.51Å; M537-L556 VanDerWaalsContact SD-CG 3.51Å; L553-L556 HydrophobicContact CD2-CD1 4.12Å; L553-L556 VanDerWaalsContact O-CB 3.31Å; L553-L556 WeakPolarHBondContact O-CB 3.41Å; L553-L556 PolarHBondContact O-N 2.66Å; S554-L556 PolarHBondContact O-N 3.36Å; L556-L558 VanDerWaalsContact C-N 3.31Å; L556-L558 HydrophobicContact CB-CD1 4.43Å; L556-L558 HydrophobicContact CB-CG 4.4Å; L556-L558 HydrophobicContact CD1-CD1 4.3Å; L556-L579 HydrophobicContact CD1-CD1 4.48Å; L556-M596 HydrophobicContact CB-CE 4.04Å
557	G	79.4	Confident	85.9	Confident	44 Å²	44	61.8 Å²	61.8	45%	0.454	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	17.4	-171.1	0	0	0	0	0	113.4	S554 S555	S554-G557 PolarHBondContact O-N 2.84Å; S554-G557 VanDerWaalsContact O-N 3.1Å; S555-G557 VanDerWaalsContact C-N 3.26Å
558	L	83.7	Confident	86.4	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.042	31%	0.307	C	S	.	.			trans	-76.5	142.3	169.3	-72.5	168.3	0	0	0	110.4	L553 L556 I565 L579 W586 M596	L553-L558 HydrophobicContact CB-CD1 4.13Å; L553-L558 HydrophobicContact CD2-CD1 4.39Å; L556-L558 VanDerWaalsContact C-N 3.31Å; L556-L558 HydrophobicContact CB-CD1 4.43Å; L556-L558 HydrophobicContact CB-CG 4.4Å; L556-L558 HydrophobicContact CD1-CD1 4.3Å; L558-I565 HydrophobicContact CD1-CD1 4.01Å; L558-L579 HydrophobicContact CD1-CD1 4.21Å; L558-W586 HydrophobicContact CD2-CB 4.31Å; L558-W586 HydrophobicContact CD2-CD2 3.62Å; L558-W586 HydrophobicContact CD2-CE3 4.24Å; L558-W586 HydrophobicContact CD2-CG 3.63Å; L558-W586 HydrophobicContact CD2-CZ2 4.43Å; L558-M596 HydrophobicContact CD1-CE 4.22Å; L558-M596 HydrophobicContact CD2-CE 3.7Å; L558-M596 HydrophobicContact CG-CE 3.64Å
559	P	82.8	Confident	86.8	Confident	57 Å²	57	52 Å²	52	37%	0.37	28%	0.282	S	S	.	.			trans	-66.8	150.2	174.8	26.2	-29.1	0	0	0	111.1	D561 V562	P559-D561 VanDerWaalsContact C-OD1 3.31Å; P559-D561 WeakPolarHBondContact CB-OD1 3.27Å; P559-D561 WeakPolarHBondContact CG-OD1 3.37Å; P559-D561 PolarHBondContact O-N 2.91Å; P559-D561 VanDerWaalsContact O-N 3.1Å; P559-V562 HydrophobicContact CG-CG2 4.18Å; P559-V562 PolarHBondContact O-N 2.93Å; P559-V562 VanDerWaalsContact O-N 3.12Å
560	T	81.7	Confident	86.9	Confident	131 Å²	131	50 Å²	50	80%	0.804	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-4.8	-170.8	53.9	0	0	0	0	114.4
561	D	83.6	Confident	86.7	Confident	111 Å²	111	47.7 Å²	47.7	59%	0.594	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.4	172.4	60.5	-28.6	0	0	0	112.5	P559 Q563	P559-D561 VanDerWaalsContact C-OD1 3.31Å; P559-D561 WeakPolarHBondContact CB-OD1 3.27Å; P559-D561 WeakPolarHBondContact CG-OD1 3.37Å; P559-D561 PolarHBondContact O-N 2.91Å; P559-D561 VanDerWaalsContact O-N 3.1Å; D561-Q563 PolarHBondContact O-N 3.04Å
562	V	84.5	Confident	86.1	Confident	14 Å²	14	49.1 Å²	49.1	9%	0.085	26%	0.263	C	S	.	.			trans	-78.1	105.1	175.3	-175.4	0	0	0	0	109.1	L553 P559 Q564 I565 W586	L553-V562 HydrophobicContact CD1-CG1 4.49Å; P559-V562 HydrophobicContact CG-CG2 4.18Å; P559-V562 PolarHBondContact O-N 2.93Å; P559-V562 VanDerWaalsContact O-N 3.12Å; V562-Q564 WeakPolarHBondContact CG1-O 3.21Å; V562-I565 HydrophobicContact CG1-CD1 3.84Å; V562-W586 HydrophobicContact CG2-CH2 3.56Å; V562-W586 HydrophobicContact CG2-CZ2 3.52Å; V562-W586 HydrophobicContact CG2-CZ3 4.49Å
563	Q	85.7	Confident	85.6	Confident	147 Å²	147	47.7 Å²	47.7	69%	0.687	26%	0.261	S	S	*	.			trans	-95.8	-13.7	-178.5	-65.5	-176.1	-2.9	0	0	113.7	G534 D535 D561	G534-Q563 CarbonylContact C-O 3.46Å; D535-Q563 PolarHBondContact N-O 2.54Å; D561-Q563 PolarHBondContact O-N 3.04Å
564	Q	90.1	Very high	85.3	Confident	88 Å²	88	49.9 Å²	49.9	41%	0.411	27%	0.273	S	S	.	.			trans	-157.4	157.9	178.5	69.9	-176.4	37.2	0	0	111.3	V562 D566 S581	V562-Q564 WeakPolarHBondContact CG1-O 3.21Å; Q564-D566 PolarHBondContact NE2-OD1 3.48Å; Q564-S581 WeakPolarHBondContact O-CB 3.46Å; Q564-S581 PolarHBondContact O-OG 3.06Å
565	I	92.1	Very high	85.1	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.			trans	-116.2	118.9	172.9	-60.1	-58.8	0	0	0	107.7	D518 A519 F532 L553 L558 V562 A567 A568 L579	D518-I565 CarbonylContact C-O 3.54Å; D518-I565 VanDerWaalsContact CB-O 3.24Å; D518-I565 WeakPolarHBondContact CB-O 3.46Å; A519-I565 HydrophobicContact CB-CG2 4.03Å; F532-I565 HydrophobicContact CB-CB 4.3Å; F532-I565 HydrophobicContact CD1-CG1 4.32Å; F532-I565 HydrophobicContact CD2-CG2 4.36Å; F532-I565 HydrophobicContact CG-CB 4.26Å; F532-I565 HydrophobicContact CG-CG1 4.45Å; L553-I565 HydrophobicContact CD1-CG1 4.06Å; L553-I565 HydrophobicContact CD2-CG1 4.2Å; L558-I565 HydrophobicContact CD1-CD1 4.01Å; V562-I565 HydrophobicContact CG1-CD1 3.84Å; I565-A567 WeakPolarHBondContact CG2-O 3.45Å; I565-A568 HydrophobicContact CG2-CB 4.31Å; I565-L579 HydrophobicContact CD1-CB 4.33Å; I565-L579 HydrophobicContact CG2-CB 4.33Å
566	D	91.6	Very high	85.2	Confident	27 Å²	27	55.2 Å²	55.2	14%	0.144	28%	0.278	C	S	.	.	S	Bend	trans	-84.5	-28.2	-175.7	-49.6	-50.9	0	0	0	112	Q564 F580 S581 T582 I615 D616	Q564-D566 PolarHBondContact NE2-OD1 3.48Å; D566-F580 PolarHBondContact N-O 3.38Å; D566-S581 WeakPolarHBondContact OD2-CA 3.45Å; D566-T582 PolarHBondContact OD2-N 3.4Å; D566-I615 VanDerWaalsContact CB-O 3.32Å; D566-I615 WeakPolarHBondContact CB-O 3.36Å; D566-D616 CarbonylContact O-C 3.58Å; D566-D616 VanDerWaalsContact O-O 3.04Å
567	A	92.4	Very high	85.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	147.5	174.3	0	0	0	0	0	111.4	I565 F580 I615 A618	I565-A567 WeakPolarHBondContact CG2-O 3.45Å; A567-F580 HydrophobicContact CB-CB 4.19Å; A567-F580 HydrophobicContact CB-CD2 4.25Å; A567-F580 PolarHBondContact N-O 2.8Å; A567-F580 PolarHBondContact O-N 2.82Å; A567-I615 HydrophobicContact CB-CD1 3.68Å; A567-I615 HydrophobicContact CB-CG1 3.79Å; A567-A618 HydrophobicContact CB-CB 4.34Å
568	A	92.8	Very high	86.2	Confident	1 Å²	1	54 Å²	54	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	137.9	176.7	0	0	0	0	0	110.2	A519 Y521 F532 I565 Y578 L579	A519-A568 HydrophobicContact CB-CB 4.03Å; Y521-A568 HydrophobicContact CD1-CB 3.67Å; Y521-A568 HydrophobicContact CE1-CB 4.33Å; Y521-A568 HydrophobicContact CG-CB 4.43Å; F532-A568 HydrophobicContact CD2-CB 4.07Å; F532-A568 HydrophobicContact CE2-CB 3.71Å; I565-A568 HydrophobicContact CG2-CB 4.31Å; A568-Y578 WeakPolarHBondContact CA-O 3.28Å; A568-L579 HydrophobicContact CB-CD2 3.58Å
569	F	91.1	Very high	86.6	Confident	3 Å²	3	53.7 Å²	53.7	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	156.9	169.6	78.1	-70.3	0	0	0	113.6	F571 T577 Y578 F580 W608 A618 S620 F629	F569-F571 HydrophobicContact CE2-CB 3.99Å; F569-F571 AromaticContact CE2-CD2 3.83Å; F569-F571 HydrophobicContact CE2-CD2 3.83Å; F569-F571 HydrophobicContact CE2-CG 4.32Å; F569-F571 HydrophobicContact CZ-CB 4.45Å; F569-F571 HydrophobicContact CZ-CD2 4.35Å; F569-T577 WeakPolarHBondContact O-CA 3.21Å; F569-Y578 PolarHBondContact N-O 2.98Å; F569-Y578 PolarHBondContact O-N 3.48Å; F569-F580 AromaticContact CD1-CE2 3.81Å; F569-F580 HydrophobicContact CD1-CE2 3.81Å; F569-F580 AromaticContact CE1-CE2 3.55Å; F569-F580 HydrophobicContact CE1-CE2 3.55Å; F569-F580 AromaticContact CE1-CZ 3.87Å; F569-F580 HydrophobicContact CE1-CZ 3.87Å; F569-W608 HydrophobicContact CZ-CH2 4.11Å; F569-A618 HydrophobicContact CB-CB 4.46Å; F569-A618 WeakPolarHBondContact CB-O 3.28Å; F569-A618 HydrophobicContact CD1-CB 3.55Å; F569-A618 HydrophobicContact CE1-CB 3.96Å; F569-A618 HydrophobicContact CG-CB 4.13Å; F569-S620 WeakPolarHBondContact CD2-OG 3.17Å; F569-S620 WeakPolarHBondContact CE2-OG 3.44Å; F569-F629 HydrophobicContact CE1-CE1 4.01Å; F569-F629 AromaticContact CE1-CZ 3.94Å; F569-F629 HydrophobicContact CE1-CZ 3.94Å; F569-F629 HydrophobicContact CZ-CE1 4.37Å; F569-F629 AromaticContact CZ-CZ 3.84Å; F569-F629 HydrophobicContact CZ-CZ 3.84Å
570	N	88.2	Confident	87	Confident	14 Å²	14	51.1 Å²	51.1	8%	0.075	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.6	169.8	-169.5	-89.9	0	0	0	110.5	Y521 R572 T577	Y521-N570 HydrophobicContact CD2-CB 4.37Å; N570-R572 PolarHBondContact O-N 3.42Å; N570-T577 PolarHBondContact ND2-OG1 2.86Å
571	F	85.8	Confident	87.5	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.039	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	105.6	178.8	-171.1	-135	0	0	0	110.7	F569 K573 N574 R575 K576 Y578 D640 L643	F569-F571 HydrophobicContact CE2-CB 3.99Å; F569-F571 AromaticContact CE2-CD2 3.83Å; F569-F571 HydrophobicContact CE2-CD2 3.83Å; F569-F571 HydrophobicContact CE2-CG 4.32Å; F569-F571 HydrophobicContact CZ-CB 4.45Å; F569-F571 HydrophobicContact CZ-CD2 4.35Å; F571-K573 HydrophobicContact CD1-CB 4.24Å; F571-K573 HydrophobicContact CE1-CB 3.8Å; F571-K573 HydrophobicContact CE1-CD 4.27Å; F571-K573 HydrophobicContact CE1-CG 4.45Å; F571-K573 HydrophobicContact CE2-CB 4.43Å; F571-K573 HydrophobicContact CZ-CB 3.91Å; F571-K573 HydrophobicContact CZ-CD 4.2Å; F571-K573 PolarHBondContact O-N 2.79Å; F571-K573 VanDerWaalsContact O-N 3.12Å; F571-N574 HydrophobicContact CD1-CB 4.5Å; F571-N574 WeakPolarHBondContact CD1-OD1 3.42Å; F571-N574 PolarHBondContact O-N 3.18Å; F571-N574 PolarHBondContact O-OD1 3.33Å; F571-R575 VanDerWaalsContact O-CA 3.32Å; F571-R575 WeakPolarHBondContact O-CA 3.48Å; F571-R575 PolarHBondContact O-N 2.8Å; F571-K576 PolarHBondContact N-O 3.37Å; F571-Y578 HydrophobicContact CB-CD2 3.7Å; F571-Y578 HydrophobicContact CB-CE2 3.51Å; F571-Y578 HydrophobicContact CD1-CE2 4.02Å; F571-Y578 HydrophobicContact CG-CE2 4.12Å; F571-D640 HydrophobicContact CE2-CB 3.76Å; F571-D640 WeakPolarHBondContact CE2-OD1 3.3Å; F571-D640 HydrophobicContact CZ-CB 3.85Å; F571-L643 HydrophobicContact CZ-CD2 4Å
572	R	77.3	Confident	87.8	Confident	96 Å²	96	43.1 Å²	43.1	36%	0.362	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.5	-171.1	-69.3	-174.2	171.7	-86	-20.7	114.3	N570 N574 N622	N570-R572 PolarHBondContact O-N 3.42Å; R572-N574 PolarHBondContact O-N 3.18Å; R572-N622 PolarHBondContact NE-OD1 2.83Å; R572-N622 PolarHBondContact NH2-OD1 2.97Å
573	K	79.1	Confident	88	Confident	127 Å²	127	45.4 Å²	45.4	55%	0.552	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-39.9	-177	-178.8	174.8	170.3	-174.5	0	113.3	F571 D640 S641	F571-K573 HydrophobicContact CD1-CB 4.24Å; F571-K573 HydrophobicContact CE1-CB 3.8Å; F571-K573 HydrophobicContact CE1-CD 4.27Å; F571-K573 HydrophobicContact CE1-CG 4.45Å; F571-K573 HydrophobicContact CE2-CB 4.43Å; F571-K573 HydrophobicContact CZ-CB 3.91Å; F571-K573 HydrophobicContact CZ-CD 4.2Å; F571-K573 PolarHBondContact O-N 2.79Å; F571-K573 VanDerWaalsContact O-N 3.12Å; K573-D640 HydrophobicContact CD-CB 4.43Å; K573-D640 WeakPolarHBondContact CD-O 3.47Å; K573-D640 PolarHBondContact NZ-O 2.85Å; K573-S641 PolarHBondContact NZ-O 3.16Å; K573-S641 VanDerWaalsContact NZ-O 3.07Å
574	N	81.2	Confident	88.3	Confident	50 Å²	50	41.9 Å²	41.9	27%	0.267	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	1.8	179.5	69.8	5	0	0	0	113.5	F571 R572 K576 Y578 F589	F571-N574 HydrophobicContact CD1-CB 4.5Å; F571-N574 WeakPolarHBondContact CD1-OD1 3.42Å; F571-N574 PolarHBondContact O-N 3.18Å; F571-N574 PolarHBondContact O-OD1 3.33Å; R572-N574 PolarHBondContact O-N 3.18Å; N574-K576 HydrophobicContact CB-CG 4.47Å; N574-K576 PolarHBondContact O-N 2.83Å; N574-K576 VanDerWaalsContact OD1-CB 3.31Å; N574-K576 WeakPolarHBondContact OD1-CB 3.37Å; N574-K576 PolarHBondContact OD1-N 3.43Å; N574-Y578 PolarHBondContact ND2-OH 2.95Å; N574-F589 WeakPolarHBondContact O-CE2 3.28Å
575	R	80.1	Confident	88.3	Confident	170 Å²	170	38 Å²	38	64%	0.642	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	23.2	-179.3	-55.1	-178	179.8	179	-3	113.8	F571 F589	F571-R575 VanDerWaalsContact O-CA 3.32Å; F571-R575 WeakPolarHBondContact O-CA 3.48Å; F571-R575 PolarHBondContact O-N 2.8Å; R575-F589 HydrophobicContact CB-CE2 4.48Å
576	K	85.9	Confident	88.2	Confident	52 Å²	52	38.5 Å²	38.5	23%	0.226	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.7	176.3	-65.1	-169.5	176.1	-147.5	0	110.7	F571 N574 Y578 R588 F589 D597	F571-K576 PolarHBondContact N-O 3.37Å; N574-K576 HydrophobicContact CB-CG 4.47Å; N574-K576 PolarHBondContact O-N 2.83Å; N574-K576 VanDerWaalsContact OD1-CB 3.31Å; N574-K576 WeakPolarHBondContact OD1-CB 3.37Å; N574-K576 PolarHBondContact OD1-N 3.43Å; K576-Y578 HydrophobicContact CB-CD2 4.37Å; K576-Y578 HydrophobicContact CB-CE2 3.77Å; K576-R588 CarbonylContact C-O 3.57Å; K576-R588 VanDerWaalsContact CA-O 3.28Å; K576-R588 WeakPolarHBondContact CA-O 3.25Å; K576-R588 WeakPolarHBondContact CB-O 3.48Å; K576-F589 HydrophobicContact CD-CB 4.39Å; K576-F589 HydrophobicContact CG-CB 4.05Å; K576-F589 HydrophobicContact CG-CD2 3.74Å; K576-F589 HydrophobicContact CG-CG 4.39Å; K576-D597 IonicContact NZ-OD1 3.34Å; K576-D597 IonicContact NZ-OD2 3.46Å; K576-D597 PolarHBondContact NZ-OD2 3.01Å
577	T	89.3	Confident	87.8	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.018	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.4	168.1	-58.7	0	0	0	0	108.6	Y521 F569 N570 L579 S587 R588 E591	Y521-T577 HydrophobicContact CD1-CG2 4.47Å; Y521-T577 HydrophobicContact CD2-CG2 4.16Å; Y521-T577 HydrophobicContact CE1-CG2 3.95Å; Y521-T577 HydrophobicContact CE2-CG2 3.6Å; Y521-T577 VanDerWaalsContact CZ-CG2 3.49Å; F569-T577 WeakPolarHBondContact O-CA 3.21Å; N570-T577 PolarHBondContact ND2-OG1 2.86Å; T577-L579 HydrophobicContact CG2-CD2 4.03Å; T577-S587 WeakPolarHBondContact O-CA 3.47Å; T577-R588 PolarHBondContact N-O 3.21Å; T577-R588 PolarHBondContact O-N 3.02Å; T577-E591 PolarHBondContact OG1-OE1 2.92Å
578	Y	90.7	Very high	87.3	Confident	25 Å²	25	38 Å²	38	10%	0.098	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.7	176.3	-69.7	-89.6	0	0	0	109.5	A568 F569 F571 N574 K576 F585 W586 W608	A568-Y578 WeakPolarHBondContact CA-O 3.28Å; F569-Y578 PolarHBondContact N-O 2.98Å; F569-Y578 PolarHBondContact O-N 3.48Å; F571-Y578 HydrophobicContact CB-CD2 3.7Å; F571-Y578 HydrophobicContact CB-CE2 3.51Å; F571-Y578 HydrophobicContact CD1-CE2 4.02Å; F571-Y578 HydrophobicContact CG-CE2 4.12Å; N574-Y578 PolarHBondContact ND2-OH 2.95Å; K576-Y578 HydrophobicContact CB-CD2 4.37Å; K576-Y578 HydrophobicContact CB-CE2 3.77Å; Y578-F585 AromaticContact CD1-CD2 3.8Å; Y578-F585 HydrophobicContact CD1-CD2 3.8Å; Y578-F585 AromaticContact CD1-CE2 3.84Å; Y578-F585 HydrophobicContact CD1-CE2 3.84Å; Y578-F585 HydrophobicContact CE1-CD2 4.33Å; Y578-F585 AromaticContact CE1-CE2 3.89Å; Y578-F585 HydrophobicContact CE1-CE2 3.89Å; Y578-W586 WeakPolarHBondContact CA-O 3.32Å; Y578-W608 AromaticContact CD1-CZ2 3.89Å; Y578-W608 HydrophobicContact CD1-CZ2 3.89Å; Y578-W608 AromaticContact CE1-CZ2 3.91Å; Y578-W608 HydrophobicContact CE1-CZ2 3.91Å; Y578-W608 HydrophobicContact CG-CZ2 4.22Å
579	L	92.1	Very high	85.9	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130	177.2	-53.5	179.4	0	0	0	108.4	Y521 F532 L556 L558 I565 A568 T577 F585 W586 M596	Y521-L579 HydrophobicContact CE1-CD2 4.43Å; F532-L579 HydrophobicContact CE2-CD2 3.9Å; F532-L579 HydrophobicContact CZ-CD2 3.85Å; L556-L579 HydrophobicContact CD1-CD1 4.48Å; L558-L579 HydrophobicContact CD1-CD1 4.21Å; I565-L579 HydrophobicContact CD1-CB 4.33Å; I565-L579 HydrophobicContact CG2-CB 4.33Å; A568-L579 HydrophobicContact CB-CD2 3.58Å; T577-L579 HydrophobicContact CG2-CD2 4.03Å; L579-F585 CarbonylContact O-C 3.58Å; L579-F585 WeakPolarHBondContact O-CA 3.22Å; L579-F585 WeakPolarHBondContact O-CB 3.19Å; L579-W586 PolarHBondContact N-O 3.04Å; L579-W586 PolarHBondContact O-N 2.9Å; L579-M596 HydrophobicContact CD1-CE 3.62Å
580	F	92.8	Very high	84.8	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.4	-177.6	-60.2	-100.2	0	0	0	109.3	D566 A567 F569 F585 I604 W608 I615 F629	D566-F580 PolarHBondContact N-O 3.38Å; A567-F580 HydrophobicContact CB-CB 4.19Å; A567-F580 HydrophobicContact CB-CD2 4.25Å; A567-F580 PolarHBondContact N-O 2.8Å; A567-F580 PolarHBondContact O-N 2.82Å; F569-F580 AromaticContact CD1-CE2 3.81Å; F569-F580 HydrophobicContact CD1-CE2 3.81Å; F569-F580 AromaticContact CE1-CE2 3.55Å; F569-F580 HydrophobicContact CE1-CE2 3.55Å; F569-F580 AromaticContact CE1-CZ 3.87Å; F569-F580 HydrophobicContact CE1-CZ 3.87Å; F580-F585 HydrophobicContact CD1-CB 3.49Å; F580-F585 VanDerWaalsContact CD1-CB 3.49Å; F580-F585 HydrophobicContact CD1-CG 4.3Å; F580-F585 HydrophobicContact CE1-CB 3.72Å; F580-F585 HydrophobicContact CE1-CD2 4.45Å; F580-F585 HydrophobicContact CE1-CG 4.07Å; F580-F585 HydrophobicContact CG-CB 4.05Å; F580-F585 HydrophobicContact CZ-CB 4.43Å; F580-I604 HydrophobicContact CD1-CD1 3.87Å; F580-I604 HydrophobicContact CD1-CG1 3.99Å; F580-I604 HydrophobicContact CE1-CG1 4.46Å; F580-W608 AromaticContact CE1-CD1 3.94Å; F580-W608 AromaticContact CE1-NE1 3.62Å; F580-W608 AromaticContact CZ-CE2 3.96Å; F580-W608 HydrophobicContact CZ-CZ2 4.07Å; F580-W608 AromaticContact CZ-NE1 3.88Å; F580-I615 HydrophobicContact CB-CD1 4.07Å; F580-I615 HydrophobicContact CB-CG1 4.22Å; F580-I615 HydrophobicContact CD1-CD1 3.84Å; F580-I615 HydrophobicContact CD2-CD1 4.07Å; F580-I615 HydrophobicContact CE1-CD1 4.31Å; F580-I615 HydrophobicContact CG-CD1 3.72Å; F580-I615 HydrophobicContact CG-CG1 4.4Å; F580-F629 HydrophobicContact CZ-CE1 4.09Å
581	S	92	Very high	83.8	Confident	9 Å²	9	48 Å²	48	6%	0.063	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	118.6	173.4	-172.7	0	0	0	0	107.9	Q564 D566 D583 K584	Q564-S581 WeakPolarHBondContact O-CB 3.46Å; Q564-S581 PolarHBondContact O-OG 3.06Å; D566-S581 WeakPolarHBondContact OD2-CA 3.45Å; S581-D583 PolarHBondContact O-N 3.4Å; S581-K584 PolarHBondContact N-O 2.77Å; S581-K584 PolarHBondContact O-N 3.05Å
582	T	88.4	Confident	82.7	Confident	65 Å²	65	51.9 Å²	51.9	40%	0.399	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-111.5	-178.7	62.8	0	0	0	0	113.3	D566 I604 D614	D566-T582 PolarHBondContact OD2-N 3.4Å; T582-I604 WeakPolarHBondContact O-CD1 3.45Å; T582-D614 WeakPolarHBondContact CA-OD1 3.41Å; T582-D614 PolarHBondContact O-N 3.18Å
583	D	89	Confident	82.1	Confident	62 Å²	62	50.3 Å²	50.3	33%	0.332	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-2.2	179	69.1	-24.4	0	0	0	113.7	S581 L603 I604 D613	S581-D583 PolarHBondContact O-N 3.4Å; D583-L603 HydrophobicContact CB-CD2 4.44Å; D583-L603 WeakPolarHBondContact O-CA 3.42Å; D583-I604 PolarHBondContact O-N 3.14Å; D583-D613 HydrophobicContact CB-CB 4.49Å
584	K	91.4	Very high	81.5	Confident	74 Å²	74	50.1 Å²	50.1	32%	0.322	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	156.6	-172.2	-73.5	164	-161.2	167.5	0	112.1	S581 W586 P601 K602 L603	S581-K584 PolarHBondContact N-O 2.77Å; S581-K584 PolarHBondContact O-N 3.05Å; K584-W586 HydrophobicContact CB-CH2 3.87Å; K584-W586 HydrophobicContact CB-CZ3 4Å; K584-P601 HydrophobicContact CB-CB 4.04Å; K584-P601 HydrophobicContact CD-CB 4.06Å; K584-P601 HydrophobicContact CD-CG 4.19Å; K584-P601 HydrophobicContact CG-CB 4.14Å; K584-K602 CarbonylContact C-O 3.5Å; K584-K602 VanDerWaalsContact CA-O 3.28Å; K584-K602 WeakPolarHBondContact CA-O 3.44Å; K584-L603 HydrophobicContact CG-CD2 4.23Å
585	F	90.8	Very high	81.1	Confident	5 Å²	5	49.9 Å²	49.9	2%	0.022	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	157.2	169.7	77.1	-79.1	0	0	0	111.6	Y578 L579 F580 F600 P601 K602 L603 I604 S607 W608	Y578-F585 AromaticContact CD1-CD2 3.8Å; Y578-F585 HydrophobicContact CD1-CD2 3.8Å; Y578-F585 AromaticContact CD1-CE2 3.84Å; Y578-F585 HydrophobicContact CD1-CE2 3.84Å; Y578-F585 HydrophobicContact CE1-CD2 4.33Å; Y578-F585 AromaticContact CE1-CE2 3.89Å; Y578-F585 HydrophobicContact CE1-CE2 3.89Å; L579-F585 CarbonylContact O-C 3.58Å; L579-F585 WeakPolarHBondContact O-CA 3.22Å; L579-F585 WeakPolarHBondContact O-CB 3.19Å; F580-F585 HydrophobicContact CD1-CB 3.49Å; F580-F585 VanDerWaalsContact CD1-CB 3.49Å; F580-F585 HydrophobicContact CD1-CG 4.3Å; F580-F585 HydrophobicContact CE1-CB 3.72Å; F580-F585 HydrophobicContact CE1-CD2 4.45Å; F580-F585 HydrophobicContact CE1-CG 4.07Å; F580-F585 HydrophobicContact CG-CB 4.05Å; F580-F585 HydrophobicContact CZ-CB 4.43Å; F585-F600 HydrophobicContact CD2-CD1 4.47Å; F585-F600 AromaticContact CD2-CE1 3.9Å; F585-F600 HydrophobicContact CD2-CE1 3.9Å; F585-F600 HydrophobicContact CE2-CD1 4.35Å; F585-F600 AromaticContact CE2-CE1 3.43Å; F585-F600 HydrophobicContact CE2-CE1 3.43Å; F585-F600 VanDerWaalsContact CE2-CE1 3.43Å; F585-F600 HydrophobicContact CE2-CZ 4.23Å; F585-F600 AromaticContact CZ-CE1 3.88Å; F585-F600 HydrophobicContact CZ-CE1 3.88Å; F585-F600 WeakPolarHBondContact O-CD1 3.33Å; F585-P601 WeakPolarHBondContact O-CA 3.33Å; F585-K602 HydrophobicContact CD1-CB 4.14Å; F585-K602 VanDerWaalsContact CD1-O 3.22Å; F585-K602 WeakPolarHBondContact CD1-O 3.41Å; F585-K602 HydrophobicContact CE1-CB 3.51Å; F585-K602 HydrophobicContact CZ-CB 3.88Å; F585-K602 HydrophobicContact CZ-CD 4.34Å; F585-K602 PolarHBondContact N-O 2.97Å; F585-K602 PolarHBondContact O-N 2.99Å; F585-L603 WeakPolarHBondContact CE1-O 3.36Å; F585-I604 HydrophobicContact CB-CG1 4.38Å; F585-I604 HydrophobicContact CD1-CG1 4.15Å; F585-S607 VanDerWaalsContact CZ-CB 3.42Å; F585-S607 WeakPolarHBondContact CZ-OG 3.42Å; F585-W608 AromaticContact CD1-NE1 3.87Å; F585-W608 AromaticContact CD2-NE1 3.7Å; F585-W608 AromaticContact CE1-CD1 3.79Å; F585-W608 AromaticContact CE1-NE1 3.67Å; F585-W608 AromaticContact CE2-NE1 3.42Å; F585-W608 AromaticContact CG-NE1 3.89Å; F585-W608 AromaticContact CZ-CD1 3.98Å; F585-W608 AromaticContact CZ-NE1 3.44Å
586	W	89.7	Confident	81.3	Confident	11 Å²	11	43.2 Å²	43.2	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.2	175.2	-64.2	-103.8	0	0	0	109	L558 V562 Y578 L579 K584 M596 P601	L558-W586 HydrophobicContact CD2-CB 4.31Å; L558-W586 HydrophobicContact CD2-CD2 3.62Å; L558-W586 HydrophobicContact CD2-CE3 4.24Å; L558-W586 HydrophobicContact CD2-CG 3.63Å; L558-W586 HydrophobicContact CD2-CZ2 4.43Å; V562-W586 HydrophobicContact CG2-CH2 3.56Å; V562-W586 HydrophobicContact CG2-CZ2 3.52Å; V562-W586 HydrophobicContact CG2-CZ3 4.49Å; Y578-W586 WeakPolarHBondContact CA-O 3.32Å; L579-W586 PolarHBondContact N-O 3.04Å; L579-W586 PolarHBondContact O-N 2.9Å; K584-W586 HydrophobicContact CB-CH2 3.87Å; K584-W586 HydrophobicContact CB-CZ3 4Å; W586-M596 HydrophobicContact CB-CG 4.45Å; W586-M596 HydrophobicContact CB-SD 3.96Å; W586-P601 HydrophobicContact CD2-CB 4.23Å; W586-P601 HydrophobicContact CH2-CB 4.39Å; W586-P601 HydrophobicContact CZ2-CB 3.74Å; W586-P601 HydrophobicContact CZ2-CG 4.15Å
587	S	84.8	Confident	81.2	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.3	167.3	81.6	0	0	0	0	111.3	T577 D597 F600	T577-S587 WeakPolarHBondContact O-CA 3.47Å; S587-D597 WeakPolarHBondContact O-CB 3.13Å; S587-D597 PolarHBondContact O-N 3.07Å; S587-D597 PolarHBondContact OG-OD2 3.1Å; S587-F600 WeakPolarHBondContact OG-CE2 3.42Å; S587-F600 WeakPolarHBondContact OG-CZ 3.47Å
588	R	80	Confident	80.9	Confident	14 Å²	14	48.3 Å²	48.3	5%	0.053	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.6	167.4	67.5	-180	-156.2	167.2	-0	110.6	Y521 K576 T577 E591 M596	Y521-R588 PolarHBondContact OH-NH2 2.9Å; K576-R588 CarbonylContact C-O 3.57Å; K576-R588 VanDerWaalsContact CA-O 3.28Å; K576-R588 WeakPolarHBondContact CA-O 3.25Å; K576-R588 WeakPolarHBondContact CB-O 3.48Å; T577-R588 PolarHBondContact N-O 3.21Å; T577-R588 PolarHBondContact O-N 3.02Å; R588-E591 IonicContact CZ-OE1 3.67Å; R588-E591 IonicContact NE-OE1 3.92Å; R588-E591 VanDerWaalsContact NH2-CG 3.25Å; R588-E591 IonicContact NH2-OE1 3.76Å; R588-E591 PolarHBondContact NH2-OE1 2.74Å; R588-E591 IonicContact NH2-OE2 2.59Å; R588-E591 PolarHBondContact NH2-OE2 2.78Å; R588-M596 HydrophobicContact CB-SD 4.03Å; R588-M596 HydrophobicContact CG-SD 4.49Å
589	F	65.3	Low	80.4	Confident	122 Å²	122	49.9 Å²	49.9	54%	0.535	29%	0.292	S	S	.	.	S	Bend	trans	-97	-39	175.9	-176.9	-100.8	0	0	0	113.2	N574 R575 K576 D597	N574-F589 WeakPolarHBondContact O-CE2 3.28Å; R575-F589 HydrophobicContact CB-CE2 4.48Å; K576-F589 HydrophobicContact CD-CB 4.39Å; K576-F589 HydrophobicContact CG-CB 4.05Å; K576-F589 HydrophobicContact CG-CD2 3.74Å; K576-F589 HydrophobicContact CG-CG 4.39Å; F589-D597 PolarHBondContact N-OD1 2.65Å
590	D	66.9	Low	80	Confident	74 Å²	74	51.9 Å²	51.9	40%	0.396	30%	0.301	S	S	.	.			trans	-117.9	111.3	-174.8	-174	-4.1	0	0	0	110.5	S592 S593	D590-S592 PolarHBondContact O-N 2.78Å; D590-S592 VanDerWaalsContact OD1-CB 3.3Å; D590-S592 WeakPolarHBondContact OD1-CB 3.26Å; D590-S592 PolarHBondContact OD1-N 2.9Å; D590-S592 PolarHBondContact OD1-OG 2.79Å; D590-S592 PolarHBondContact OD2-OG 2.84Å; D590-S592 VanDerWaalsContact OD2-OG 3.09Å; D590-S593 PolarHBondContact O-N 2.73Å; D590-S593 PolarHBondContact O-OG 3.22Å
591	E	66.4	Low	79.8	Confident	33 Å²	33	54.7 Å²	54.7	15%	0.154	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-69.6	-22	-179.9	-51.4	-149.5	138.5	0	0	112.4	Y521 N523 T577 R588	Y521-E591 PolarHBondContact OH-OE1 3.28Å; Y521-E591 VanDerWaalsContact OH-OE1 3.13Å; N523-E591 PolarHBondContact ND2-OE2 2.93Å; T577-E591 PolarHBondContact OG1-OE1 2.92Å; R588-E591 IonicContact CZ-OE1 3.67Å; R588-E591 IonicContact NE-OE1 3.92Å; R588-E591 VanDerWaalsContact NH2-CG 3.25Å; R588-E591 IonicContact NH2-OE1 3.76Å; R588-E591 PolarHBondContact NH2-OE1 2.74Å; R588-E591 IonicContact NH2-OE2 2.59Å; R588-E591 PolarHBondContact NH2-OE2 2.78Å
592	S	63.4	Low	79.7	Confident	90 Å²	90	58.2 Å²	58.2	63%	0.629	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-76.4	-25.3	177.3	76.1	0	0	0	0	113	D590 Q594	D590-S592 PolarHBondContact O-N 2.78Å; D590-S592 VanDerWaalsContact OD1-CB 3.3Å; D590-S592 WeakPolarHBondContact OD1-CB 3.26Å; D590-S592 PolarHBondContact OD1-N 2.9Å; D590-S592 PolarHBondContact OD1-OG 2.79Å; D590-S592 PolarHBondContact OD2-OG 2.84Å; D590-S592 VanDerWaalsContact OD2-OG 3.09Å; S592-Q594 PolarHBondContact O-N 2.82Å
593	S	65.3	Low	79.8	Confident	63 Å²	63	58.2 Å²	58.2	44%	0.441	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-71.2	-12.3	179.8	73	0	0	0	0	113.7	D590 A595	D590-S593 PolarHBondContact O-N 2.73Å; D590-S593 PolarHBondContact O-OG 3.22Å; S593-A595 PolarHBondContact O-N 3.38Å
594	Q	66.6	Low	79.7	Confident	123 Å²	123	55.3 Å²	55.3	58%	0.575	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	28.4	-175.8	-63.8	-171.7	-31.6	0	0	113.8	S592	S592-Q594 PolarHBondContact O-N 2.82Å
595	A	72.4	Confident	79.5	Confident	45 Å²	45	54.7 Å²	54.7	37%	0.372	32%	0.324	S	S	.	.	S	Bend	trans	-135.7	147.9	-176.5	0	0	0	0	0	111.3	S593	S593-A595 PolarHBondContact O-N 3.38Å
596	M	83.7	Confident	79.3	Confident	31 Å²	31	61 Å²	61	15%	0.153	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-77.2	152.6	171.7	-65.1	-60.3	173.2	0	0	111	L556 L558 L579 W586 R588	L556-M596 HydrophobicContact CB-CE 4.04Å; L558-M596 HydrophobicContact CD1-CE 4.22Å; L558-M596 HydrophobicContact CD2-CE 3.7Å; L558-M596 HydrophobicContact CG-CE 3.64Å; L579-M596 HydrophobicContact CD1-CE 3.62Å; W586-M596 HydrophobicContact CB-CG 4.45Å; W586-M596 HydrophobicContact CB-SD 3.96Å; R588-M596 HydrophobicContact CB-SD 4.03Å; R588-M596 HydrophobicContact CG-SD 4.49Å
597	D	84.4	Confident	79	Confident	31 Å²	31	62.6 Å²	62.6	17%	0.166	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-61.7	146.3	177.2	-70.9	-27.5	0	0	0	110.7	K576 S587 F589 G599 F600	K576-D597 IonicContact NZ-OD1 3.34Å; K576-D597 IonicContact NZ-OD2 3.46Å; K576-D597 PolarHBondContact NZ-OD2 3.01Å; S587-D597 WeakPolarHBondContact O-CB 3.13Å; S587-D597 PolarHBondContact O-N 3.07Å; S587-D597 PolarHBondContact OG-OD2 3.1Å; F589-D597 PolarHBondContact N-OD1 2.65Å; D597-G599 PolarHBondContact O-N 3.5Å; D597-F600 HydrophobicContact CB-CD2 3.83Å; D597-F600 HydrophobicContact CB-CE2 3.9Å; D597-F600 WeakPolarHBondContact O-CD2 3.38Å
598	P	82	Confident	79	Confident	131 Å²	131	63.1 Å²	63.1	85%	0.851	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	138.4	175.9	-23.3	33.3	0	0	0	112.6
599	G	80.8	Confident	79.2	Confident	58 Å²	58	68.2 Å²	68.2	60%	0.598	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	18.6	177.5	0	0	0	0	0	115	D597 K602	D597-G599 PolarHBondContact O-N 3.5Å; G599-K602 WeakPolarHBondContact O-CE 3.21Å; G599-K602 WeakPolarHBondContact O-CG 3.17Å
600	F	83.5	Confident	80	Confident	45 Å²	45	65.1 Å²	65.1	20%	0.197	40%	0.399	C	S	.	.			trans	-112.2	153.8	169.9	-72.1	-85.2	0	0	0	110.7	F585 S587 D597 K602	F585-F600 HydrophobicContact CD2-CD1 4.47Å; F585-F600 AromaticContact CD2-CE1 3.9Å; F585-F600 HydrophobicContact CD2-CE1 3.9Å; F585-F600 HydrophobicContact CE2-CD1 4.35Å; F585-F600 AromaticContact CE2-CE1 3.43Å; F585-F600 HydrophobicContact CE2-CE1 3.43Å; F585-F600 VanDerWaalsContact CE2-CE1 3.43Å; F585-F600 HydrophobicContact CE2-CZ 4.23Å; F585-F600 AromaticContact CZ-CE1 3.88Å; F585-F600 HydrophobicContact CZ-CE1 3.88Å; F585-F600 WeakPolarHBondContact O-CD1 3.33Å; S587-F600 WeakPolarHBondContact OG-CE2 3.42Å; S587-F600 WeakPolarHBondContact OG-CZ 3.47Å; D597-F600 HydrophobicContact CB-CD2 3.83Å; D597-F600 HydrophobicContact CB-CE2 3.9Å; D597-F600 WeakPolarHBondContact O-CD2 3.38Å; F600-K602 HydrophobicContact CD1-CB 4.2Å; F600-K602 HydrophobicContact CD1-CD 4.26Å; F600-K602 HydrophobicContact CD1-CG 3.9Å; F600-K602 HydrophobicContact CE1-CB 4.25Å; F600-K602 HydrophobicContact CE1-CD 3.84Å; F600-K602 HydrophobicContact CE1-CG 3.97Å; F600-K602 HydrophobicContact CZ-CD 4.18Å
601	P	88.6	Confident	81	Confident	61 Å²	61	62 Å²	62	40%	0.396	38%	0.383	S	S	.	.			cis	-70	156.1	3.8	26.5	-32.9	0	0	0	114.2	K584 F585 W586	K584-P601 HydrophobicContact CB-CB 4.04Å; K584-P601 HydrophobicContact CD-CB 4.06Å; K584-P601 HydrophobicContact CD-CG 4.19Å; K584-P601 HydrophobicContact CG-CB 4.14Å; F585-P601 WeakPolarHBondContact O-CA 3.33Å; W586-P601 HydrophobicContact CD2-CB 4.23Å; W586-P601 HydrophobicContact CH2-CB 4.39Å; W586-P601 HydrophobicContact CZ2-CB 3.74Å; W586-P601 HydrophobicContact CZ2-CG 4.15Å
602	K	89.8	Confident	82	Confident	83 Å²	83	62.1 Å²	62.1	36%	0.361	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	156.5	169.6	-69	-174.2	-178.6	-178.3	0	110.3	K584 F585 G599 F600	K584-K602 CarbonylContact C-O 3.5Å; K584-K602 VanDerWaalsContact CA-O 3.28Å; K584-K602 WeakPolarHBondContact CA-O 3.44Å; F585-K602 HydrophobicContact CD1-CB 4.14Å; F585-K602 VanDerWaalsContact CD1-O 3.22Å; F585-K602 WeakPolarHBondContact CD1-O 3.41Å; F585-K602 HydrophobicContact CE1-CB 3.51Å; F585-K602 HydrophobicContact CZ-CB 3.88Å; F585-K602 HydrophobicContact CZ-CD 4.34Å; F585-K602 PolarHBondContact N-O 2.97Å; F585-K602 PolarHBondContact O-N 2.99Å; G599-K602 WeakPolarHBondContact O-CE 3.21Å; G599-K602 WeakPolarHBondContact O-CG 3.17Å; F600-K602 HydrophobicContact CD1-CB 4.2Å; F600-K602 HydrophobicContact CD1-CD 4.26Å; F600-K602 HydrophobicContact CD1-CG 3.9Å; F600-K602 HydrophobicContact CE1-CB 4.25Å; F600-K602 HydrophobicContact CE1-CD 3.84Å; F600-K602 HydrophobicContact CE1-CG 3.97Å; F600-K602 HydrophobicContact CZ-CD 4.18Å
603	L	90.3	Very high	83.2	Confident	65 Å²	65	61 Å²	61	34%	0.34	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.9	175.2	-67.5	175.1	0	0	0	110.9	D583 K584 F585 A605 E606	D583-L603 HydrophobicContact CB-CD2 4.44Å; D583-L603 WeakPolarHBondContact O-CA 3.42Å; K584-L603 HydrophobicContact CG-CD2 4.23Å; F585-L603 WeakPolarHBondContact CE1-O 3.36Å; L603-A605 VanDerWaalsContact C-N 3.34Å; L603-A605 PolarHBondContact O-N 2.88Å; L603-E606 HydrophobicContact CB-CB 4.36Å; L603-E606 HydrophobicContact CB-CG 3.93Å; L603-E606 HydrophobicContact CD1-CG 4.43Å; L603-E606 PolarHBondContact O-N 2.89Å
604	I	88.3	Confident	84.3	Confident	0 Å²	0	62 Å²	62	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-58.8	-48.9	179.1	-64.7	173.1	0	0	0	109.8	F580 T582 D583 F585 E606 S607 W608 I611	F580-I604 HydrophobicContact CD1-CD1 3.87Å; F580-I604 HydrophobicContact CD1-CG1 3.99Å; F580-I604 HydrophobicContact CE1-CG1 4.46Å; T582-I604 WeakPolarHBondContact O-CD1 3.45Å; D583-I604 PolarHBondContact O-N 3.14Å; F585-I604 HydrophobicContact CB-CG1 4.38Å; F585-I604 HydrophobicContact CD1-CG1 4.15Å; I604-E606 PolarHBondContact O-N 3.28Å; I604-E606 VanDerWaalsContact O-N 3.07Å; I604-S607 PolarHBondContact O-N 2.85Å; I604-S607 VanDerWaalsContact O-N 3.11Å; I604-W608 HydrophobicContact CG2-CB 4.09Å; I604-W608 PolarHBondContact O-N 2.84Å; I604-I611 HydrophobicContact CG2-CB 4.36Å; I604-I611 HydrophobicContact CG2-CG2 4.16Å
605	A	86.9	Confident	85.5	Confident	62 Å²	62	56.2 Å²	56.2	51%	0.512	35%	0.347	S	S	.	.	H	α-helix	trans	-57.1	-24.5	179.6	0	0	0	0	0	114.8	L603	L603-A605 VanDerWaalsContact C-N 3.34Å; L603-A605 PolarHBondContact O-N 2.88Å
606	E	85.6	Confident	86.3	Confident	136 Å²	136	56.4 Å²	56.4	64%	0.636	34%	0.341	S	S	*	.	H	α-helix	trans	-82.1	-29.3	179.8	-69.9	-178.6	171.2	0	0	113.3	L603 I604	L603-E606 HydrophobicContact CB-CB 4.36Å; L603-E606 HydrophobicContact CB-CG 3.93Å; L603-E606 HydrophobicContact CD1-CG 4.43Å; L603-E606 PolarHBondContact O-N 2.89Å; I604-E606 PolarHBondContact O-N 3.28Å; I604-E606 VanDerWaalsContact O-N 3.07Å
607	S	84.8	Confident	86.6	Confident	46 Å²	46	55.1 Å²	55.1	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-113	-26.2	-172	-60	0	0	0	0	113.6	F585 I604	F585-S607 VanDerWaalsContact CZ-CB 3.42Å; F585-S607 WeakPolarHBondContact CZ-OG 3.42Å; I604-S607 PolarHBondContact O-N 2.85Å; I604-S607 VanDerWaalsContact O-N 3.11Å
608	W	84.9	Confident	86.9	Confident	13 Å²	13	53.6 Å²	53.6	5%	0.049	33%	0.327	C	S	.	.	S	Bend	trans	-120.1	77.1	-174.9	-57.8	100.1	0	0	0	110.2	F569 Y578 F580 F585 I604 G610 I611 F629 L638 L643	F569-W608 HydrophobicContact CZ-CH2 4.11Å; Y578-W608 AromaticContact CD1-CZ2 3.89Å; Y578-W608 HydrophobicContact CD1-CZ2 3.89Å; Y578-W608 AromaticContact CE1-CZ2 3.91Å; Y578-W608 HydrophobicContact CE1-CZ2 3.91Å; Y578-W608 HydrophobicContact CG-CZ2 4.22Å; F580-W608 AromaticContact CE1-CD1 3.94Å; F580-W608 AromaticContact CE1-NE1 3.62Å; F580-W608 AromaticContact CZ-CE2 3.96Å; F580-W608 HydrophobicContact CZ-CZ2 4.07Å; F580-W608 AromaticContact CZ-NE1 3.88Å; F585-W608 AromaticContact CD1-NE1 3.87Å; F585-W608 AromaticContact CD2-NE1 3.7Å; F585-W608 AromaticContact CE1-CD1 3.79Å; F585-W608 AromaticContact CE1-NE1 3.67Å; F585-W608 AromaticContact CE2-NE1 3.42Å; F585-W608 AromaticContact CG-NE1 3.89Å; F585-W608 AromaticContact CZ-CD1 3.98Å; F585-W608 AromaticContact CZ-NE1 3.44Å; I604-W608 HydrophobicContact CG2-CB 4.09Å; I604-W608 PolarHBondContact O-N 2.84Å; W608-G610 PolarHBondContact O-N 2.93Å; W608-G610 VanDerWaalsContact O-N 3.14Å; W608-I611 HydrophobicContact CB-CB 3.93Å; W608-I611 HydrophobicContact CB-CG1 3.9Å; W608-I611 PolarHBondContact O-N 3.43Å; W608-I611 VanDerWaalsContact O-N 3.1Å; W608-F629 AromaticContact CE3-CZ 3.94Å; W608-F629 HydrophobicContact CE3-CZ 3.94Å; W608-F629 HydrophobicContact CH2-CZ 4.47Å; W608-F629 AromaticContact CZ3-CZ 3.9Å; W608-F629 HydrophobicContact CZ3-CZ 3.9Å; W608-L638 HydrophobicContact CE3-CD2 3.93Å; W608-L638 HydrophobicContact CZ3-CD2 3.74Å; W608-L643 HydrophobicContact CZ3-CD2 4.22Å
609	N	83.1	Confident	87.2	Confident	120 Å²	120	47.8 Å²	47.8	64%	0.642	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	119	-175.2	-79.8	-24.7	0	0	0	112.6	I611	N609-I611 VanDerWaalsContact C-N 3.33Å
610	G	82.1	Confident	87.5	Confident	58 Å²	58	45.5 Å²	45.5	60%	0.598	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-0.7	176.9	0	0	0	0	0	114.8	W608 I645	W608-G610 PolarHBondContact O-N 2.93Å; W608-G610 VanDerWaalsContact O-N 3.14Å; G610-I645 VanDerWaalsContact O-CD1 3.23Å; G610-I645 WeakPolarHBondContact O-CD1 3.31Å
611	I	87.6	Confident	87.3	Confident	9 Å²	9	43.6 Å²	43.6	5%	0.046	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-82.5	127.6	168.6	-58.2	-58.4	0	0	0	107.7	I604 W608 N609 I615 F629 F636 I645	I604-I611 HydrophobicContact CG2-CB 4.36Å; I604-I611 HydrophobicContact CG2-CG2 4.16Å; W608-I611 HydrophobicContact CB-CB 3.93Å; W608-I611 HydrophobicContact CB-CG1 3.9Å; W608-I611 PolarHBondContact O-N 3.43Å; W608-I611 VanDerWaalsContact O-N 3.1Å; N609-I611 VanDerWaalsContact C-N 3.33Å; I611-I615 HydrophobicContact CG2-CG2 3.77Å; I611-F629 HydrophobicContact CD1-CB 4.02Å; I611-F629 HydrophobicContact CD1-CD1 4.41Å; I611-F629 HydrophobicContact CD1-CD2 3.75Å; I611-F629 HydrophobicContact CD1-CE2 4.35Å; I611-F629 HydrophobicContact CD1-CG 3.8Å; I611-F629 HydrophobicContact CG1-CD2 4.45Å; I611-F629 HydrophobicContact CG1-CG 4.42Å; I611-F629 HydrophobicContact CG2-CD1 4.01Å; I611-F629 HydrophobicContact CG2-CG 4.34Å; I611-F636 HydrophobicContact CD1-CB 3.92Å; I611-F636 HydrophobicContact CD1-CG 4.34Å; I611-I645 HydrophobicContact CD1-CD1 3.88Å; I611-I645 HydrophobicContact CD1-CG1 4.22Å
612	P	88.8	Confident	86.6	Confident	35 Å²	35	43.7 Å²	43.7	23%	0.227	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-68.7	157.9	176.3	29.2	-34.3	0	0	0	111.2	I615 K631 F636	P612-I615 HydrophobicContact CG-CG2 4.24Å; P612-I615 VanDerWaalsContact O-CG2 3.31Å; P612-I615 WeakPolarHBondContact O-CG2 3.27Å; P612-K631 HydrophobicContact CB-CD 3.75Å; P612-K631 HydrophobicContact CG-CB 4.27Å; P612-K631 HydrophobicContact CG-CD 3.4Å; P612-K631 VanDerWaalsContact CG-CD 3.4Å; P612-K631 HydrophobicContact CG-CG 4.43Å; P612-F636 HydrophobicContact CG-CE2 3.82Å; P612-F636 HydrophobicContact CG-CZ 4.08Å
613	D	88.6	Confident	85.7	Confident	65 Å²	65	43.8 Å²	43.8	35%	0.348	28%	0.277	S	S	.	.	S	Bend	trans	-67.1	167.8	165.2	-52	-36.9	0	0	0	109.8	D583 I615 K631	D583-D613 HydrophobicContact CB-CB 4.49Å; D613-I615 PolarHBondContact O-N 2.82Å; D613-K631 PolarHBondContact O-NZ 3.32Å
614	D	87.3	Confident	84.9	Confident	85 Å²	85	43.5 Å²	43.5	46%	0.455	28%	0.275	S	S	.	.	S	Bend	trans	49.4	60	-179.5	-46.1	-46.5	0	0	0	112.2	T582 K631	T582-D614 WeakPolarHBondContact CA-OD1 3.41Å; T582-D614 PolarHBondContact O-N 3.18Å; D614-K631 WeakPolarHBondContact O-CE 3.4Å; D614-K631 PolarHBondContact O-NZ 2.75Å
615	I	91.4	Very high	84.7	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	31%	0.307	C	S	.	.			trans	-79	142.8	172.9	51.8	171	0	0	0	110.2	D566 A567 F580 I611 P612 D613 A618 F629	D566-I615 VanDerWaalsContact CB-O 3.32Å; D566-I615 WeakPolarHBondContact CB-O 3.36Å; A567-I615 HydrophobicContact CB-CD1 3.68Å; A567-I615 HydrophobicContact CB-CG1 3.79Å; F580-I615 HydrophobicContact CB-CD1 4.07Å; F580-I615 HydrophobicContact CB-CG1 4.22Å; F580-I615 HydrophobicContact CD1-CD1 3.84Å; F580-I615 HydrophobicContact CD2-CD1 4.07Å; F580-I615 HydrophobicContact CE1-CD1 4.31Å; F580-I615 HydrophobicContact CG-CD1 3.72Å; F580-I615 HydrophobicContact CG-CG1 4.4Å; I611-I615 HydrophobicContact CG2-CG2 3.77Å; P612-I615 HydrophobicContact CG-CG2 4.24Å; P612-I615 VanDerWaalsContact O-CG2 3.31Å; P612-I615 WeakPolarHBondContact O-CG2 3.27Å; D613-I615 PolarHBondContact O-N 2.82Å; I615-A618 HydrophobicContact CD1-CB 4.35Å; I615-F629 HydrophobicContact CD1-CD1 3.74Å; I615-F629 HydrophobicContact CD1-CE1 4.21Å
616	D	89.3	Confident	84.7	Confident	49 Å²	49	49.5 Å²	49.5	26%	0.262	29%	0.294	S	S	.	.	S	Bend	trans	-85.5	-27.2	-177.5	-54.4	-40.6	0	0	0	112.3	D566 F630 K631 G632	D566-D616 CarbonylContact O-C 3.58Å; D566-D616 VanDerWaalsContact O-O 3.04Å; D616-F630 PolarHBondContact N-O 2.85Å; D616-K631 VanDerWaalsContact OD2-CA 3.27Å; D616-K631 WeakPolarHBondContact OD2-CA 3.26Å; D616-G632 PolarHBondContact OD2-N 2.89Å
617	S	90.4	Very high	84.9	Confident	3 Å²	3	43 Å²	43	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	158.7	174.2	-168	0	0	0	0	111.7	V475 F629 F630	V475-S617 PolarHBondContact N-OG 3.32Å; V475-S617 PolarHBondContact O-OG 3.41Å; S617-F629 CarbonylContact O-C 3.51Å; S617-F629 WeakPolarHBondContact O-CA 3.47Å; S617-F630 PolarHBondContact O-N 2.77Å
618	A	91.1	Very high	85.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.7	168	0	0	0	0	0	109.8	A567 F569 I615 Y628 F629	A567-A618 HydrophobicContact CB-CB 4.34Å; F569-A618 HydrophobicContact CB-CB 4.46Å; F569-A618 WeakPolarHBondContact CB-O 3.28Å; F569-A618 HydrophobicContact CD1-CB 3.55Å; F569-A618 HydrophobicContact CE1-CB 3.96Å; F569-A618 HydrophobicContact CG-CB 4.13Å; I615-A618 HydrophobicContact CD1-CB 4.35Å; A618-Y628 CarbonylContact C-O 3.44Å; A618-Y628 VanDerWaalsContact CA-O 3.25Å; A618-Y628 WeakPolarHBondContact CA-O 3.17Å; A618-F629 HydrophobicContact CB-CD1 3.68Å; A618-F629 HydrophobicContact CB-CE1 3.82Å; A618-F629 HydrophobicContact CB-CG 4.35Å
619	F	88.9	Confident	85.5	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	164.3	168.1	69.3	-83.4	0	0	0	112.8	V475 Q477 T482 L621 Y628 F630 W655	V475-F619 HydrophobicContact CB-CD1 4.24Å; V475-F619 HydrophobicContact CB-CE1 3.99Å; V475-F619 HydrophobicContact CG1-CD1 4.01Å; V475-F619 HydrophobicContact CG1-CE1 3.38Å; V475-F619 HydrophobicContact CG1-CZ 4.02Å; V475-F619 WeakPolarHBondContact O-CD1 3.39Å; Q477-F619 HydrophobicContact CB-CD2 4.34Å; T482-F619 HydrophobicContact CG2-CE2 4.31Å; T482-F619 HydrophobicContact CG2-CZ 4.01Å; F619-L621 HydrophobicContact CD2-CD2 4.39Å; F619-L621 HydrophobicContact CE2-CD2 3.69Å; F619-L621 HydrophobicContact CE2-CG 3.98Å; F619-Y628 PolarHBondContact N-O 2.69Å; F619-Y628 PolarHBondContact O-N 3.14Å; F619-F630 HydrophobicContact CD1-CD2 4.39Å; F619-F630 AromaticContact CD1-CE2 3.79Å; F619-F630 HydrophobicContact CD1-CE2 3.79Å; F619-F630 HydrophobicContact CE1-CD2 4.11Å; F619-F630 AromaticContact CE1-CE2 3.18Å; F619-F630 HydrophobicContact CE1-CE2 3.18Å; F619-F630 AromaticContact CE1-CZ 3.54Å; F619-F630 HydrophobicContact CE1-CZ 3.54Å; F619-F630 HydrophobicContact CZ-CE2 4.07Å; F619-F630 HydrophobicContact CZ-CZ 4.11Å; F619-W655 HydrophobicContact CE1-CH2 4.36Å; F619-W655 AromaticContact CE2-CH2 3.8Å; F619-W655 HydrophobicContact CE2-CH2 3.8Å; F619-W655 HydrophobicContact CE2-CZ3 4.1Å; F619-W655 HydrophobicContact CZ-CE3 4.41Å; F619-W655 AromaticContact CZ-CH2 3.33Å; F619-W655 HydrophobicContact CZ-CH2 3.33Å; F619-W655 HydrophobicContact CZ-CZ2 4.06Å; F619-W655 AromaticContact CZ-CZ3 3.54Å; F619-W655 HydrophobicContact CZ-CZ3 3.54Å
620	S	85.5	Confident	85.9	Confident	10 Å²	10	35.3 Å²	35.3	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.8	175.3	-55.5	0	0	0	0	110.4	Q477 F569 S627	Q477-S620 PolarHBondContact OE1-O 2.97Å; F569-S620 WeakPolarHBondContact CD2-OG 3.17Å; F569-S620 WeakPolarHBondContact CE2-OG 3.44Å; S620-S627 PolarHBondContact OG-OG 3.11Å
621	L	80.6	Confident	86.4	Confident	5 Å²	5	36 Å²	36	3%	0.026	21%	0.206	C	C	.	.			trans	-81.7	142.8	179.6	-77.8	177	0	0	0	112.8	F496 F619 G623 I624 Y628 W655	F496-L621 HydrophobicContact CD1-CD1 4.19Å; F496-L621 HydrophobicContact CE1-CD1 4.4Å; F496-L621 HydrophobicContact CG-CD1 4.48Å; F619-L621 HydrophobicContact CD2-CD2 4.39Å; F619-L621 HydrophobicContact CE2-CD2 3.69Å; F619-L621 HydrophobicContact CE2-CG 3.98Å; L621-G623 PolarHBondContact O-N 3.07Å; L621-I624 HydrophobicContact CB-CB 4.37Å; L621-I624 HydrophobicContact CB-CD1 4.34Å; L621-I624 HydrophobicContact CD1-CD1 4.17Å; L621-I624 PolarHBondContact O-N 3.2Å; L621-Y628 HydrophobicContact CB-CE2 4.36Å; L621-Y628 HydrophobicContact CD1-CD2 4.39Å; L621-Y628 HydrophobicContact CD1-CE2 3.58Å; L621-Y628 HydrophobicContact CG-CD2 4.31Å; L621-Y628 HydrophobicContact CG-CE2 3.87Å; L621-W655 HydrophobicContact CD1-CH2 3.93Å; L621-W655 HydrophobicContact CD2-CH2 4.46Å; L621-W655 HydrophobicContact CG-CH2 4.32Å
622	N	74	Confident	86.4	Confident	64 Å²	64	36.7 Å²	36.7	34%	0.342	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	125.8	174.6	-73.6	-7.2	0	0	0	112	Q477 R572 I624	Q477-N622 PolarHBondContact OE1-OD1 3.46Å; Q477-N622 VanDerWaalsContact OE1-OD1 3.13Å; R572-N622 PolarHBondContact NE-OD1 2.83Å; R572-N622 PolarHBondContact NH2-OD1 2.97Å; N622-I624 VanDerWaalsContact C-N 3.32Å; N622-I624 PolarHBondContact O-N 2.59Å
623	G	70.2	Confident	86.2	Confident	85 Å²	85	37.1 Å²	37.1	88%	0.876	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	11.9	174.1	0	0	0	0	0	115	L621	L621-G623 PolarHBondContact O-N 3.07Å
624	I	74.5	Confident	86.3	Confident	59 Å²	59	38.1 Å²	38.1	30%	0.303	22%	0.221	S	C	.	.	S	Bend	trans	-134.2	130.9	-178.6	-52.2	-179.5	0	0	0	109.5	L621 N622 Y626	L621-I624 HydrophobicContact CB-CB 4.37Å; L621-I624 HydrophobicContact CB-CD1 4.34Å; L621-I624 HydrophobicContact CD1-CD1 4.17Å; L621-I624 PolarHBondContact O-N 3.2Å; N622-I624 VanDerWaalsContact C-N 3.32Å; N622-I624 PolarHBondContact O-N 2.59Å; I624-Y626 HydrophobicContact CG2-CD2 3.18Å; I624-Y626 HydrophobicContact CG2-CE2 3.8Å; I624-Y626 HydrophobicContact CG2-CG 4.06Å; I624-Y626 PolarHBondContact O-N 3.47Å
625	D	82.1	Confident	86.5	Confident	123 Å²	123	34.5 Å²	34.5	66%	0.658	20%	0.201	S	C	*	.	S	Bend	trans	-79	41.1	-179.6	-65.5	-32.6	0	0	0	113.3	D640	D625-D640 PolarHBondContact O-N 2.79Å; D625-D640 VanDerWaalsContact O-N 3.1Å
626	Y	87.8	Confident	86.6	Confident	65 Å²	65	36.1 Å²	36.1	26%	0.255	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.1	177.4	-58.1	-62	0	0	0	111.7	I624 K637 L638 E639 I646	I624-Y626 HydrophobicContact CG2-CD2 3.18Å; I624-Y626 HydrophobicContact CG2-CE2 3.8Å; I624-Y626 HydrophobicContact CG2-CG 4.06Å; I624-Y626 PolarHBondContact O-N 3.47Å; Y626-K637 HydrophobicContact CD1-CG 4.39Å; Y626-K637 HydrophobicContact CG-CD 4.39Å; Y626-K637 HydrophobicContact CG-CG 4.33Å; Y626-L638 VanDerWaalsContact CA-O 3.25Å; Y626-L638 WeakPolarHBondContact CA-O 3.32Å; Y626-E639 HydrophobicContact CD1-CB 4.15Å; Y626-E639 HydrophobicContact CD1-CG 4.41Å; Y626-E639 HydrophobicContact CE1-CB 4.06Å; Y626-E639 HydrophobicContact CE1-CG 4.04Å; Y626-I646 HydrophobicContact CD1-CD1 3.61Å; Y626-I646 HydrophobicContact CE1-CD1 3.22Å; Y626-I646 HydrophobicContact CE1-CG1 4.46Å
627	S	89.4	Confident	86.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.9	169.3	-58.6	0	0	0	0	109.9	S620 L638 D640	S620-S627 PolarHBondContact OG-OG 3.11Å; S627-L638 PolarHBondContact N-O 3.1Å; S627-L638 WeakPolarHBondContact O-CB 3.5Å; S627-L638 PolarHBondContact O-N 3.43Å; S627-D640 WeakPolarHBondContact CB-OD1 3.39Å; S627-D640 PolarHBondContact N-OD1 3.04Å; S627-D640 PolarHBondContact OG-OD1 2.94Å; S627-D640 PolarHBondContact OG-OD2 3.19Å
628	Y	91.1	Very high	86.7	Confident	12 Å²	12	35.6 Å²	35.6	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.9	-174.7	-61.6	-94.6	0	0	0	109.3	A618 F619 L621 Y635 F636 K637 W655	A618-Y628 CarbonylContact C-O 3.44Å; A618-Y628 VanDerWaalsContact CA-O 3.25Å; A618-Y628 WeakPolarHBondContact CA-O 3.17Å; F619-Y628 PolarHBondContact N-O 2.69Å; F619-Y628 PolarHBondContact O-N 3.14Å; L621-Y628 HydrophobicContact CB-CE2 4.36Å; L621-Y628 HydrophobicContact CD1-CD2 4.39Å; L621-Y628 HydrophobicContact CD1-CE2 3.58Å; L621-Y628 HydrophobicContact CG-CD2 4.31Å; L621-Y628 HydrophobicContact CG-CE2 3.87Å; Y628-Y635 AromaticContact CD1-CD2 3.77Å; Y628-Y635 HydrophobicContact CD1-CD2 3.77Å; Y628-Y635 AromaticContact CD1-CE2 3.85Å; Y628-Y635 HydrophobicContact CD1-CE2 3.85Å; Y628-Y635 HydrophobicContact CE1-CD2 4.43Å; Y628-Y635 HydrophobicContact CE1-CE2 4.05Å; Y628-F636 WeakPolarHBondContact CA-O 3.35Å; Y628-K637 HydrophobicContact CD1-CB 4.17Å; Y628-K637 HydrophobicContact CD1-CG 4.03Å; Y628-K637 HydrophobicContact CE1-CB 4.13Å; Y628-K637 HydrophobicContact CE1-CD 3.85Å; Y628-K637 HydrophobicContact CE1-CG 3.63Å; Y628-K637 WeakPolarHBondContact OH-CE 3.44Å; Y628-W655 HydrophobicContact CD1-CH2 4.35Å; Y628-W655 AromaticContact CD1-CZ2 3.51Å; Y628-W655 HydrophobicContact CD1-CZ2 3.51Å; Y628-W655 HydrophobicContact CD2-CH2 4.27Å; Y628-W655 HydrophobicContact CD2-CZ2 4.19Å; Y628-W655 HydrophobicContact CE1-CH2 4.38Å; Y628-W655 AromaticContact CE1-CZ2 3.67Å; Y628-W655 HydrophobicContact CE1-CZ2 3.67Å; Y628-W655 HydrophobicContact CE2-CH2 4.39Å; Y628-W655 HydrophobicContact CE2-CZ2 4.4Å; Y628-W655 HydrophobicContact CG-CH2 4.24Å; Y628-W655 AromaticContact CG-CZ2 3.73Å; Y628-W655 HydrophobicContact CG-CZ2 3.73Å
629	F	92.5	Very high	86.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.8	178.5	-65	-99.6	0	0	0	109	F569 F580 W608 I611 I615 S617 A618 Y635 F636 L638	F569-F629 HydrophobicContact CE1-CE1 4.01Å; F569-F629 AromaticContact CE1-CZ 3.94Å; F569-F629 HydrophobicContact CE1-CZ 3.94Å; F569-F629 HydrophobicContact CZ-CE1 4.37Å; F569-F629 AromaticContact CZ-CZ 3.84Å; F569-F629 HydrophobicContact CZ-CZ 3.84Å; F580-F629 HydrophobicContact CZ-CE1 4.09Å; W608-F629 AromaticContact CE3-CZ 3.94Å; W608-F629 HydrophobicContact CE3-CZ 3.94Å; W608-F629 HydrophobicContact CH2-CZ 4.47Å; W608-F629 AromaticContact CZ3-CZ 3.9Å; W608-F629 HydrophobicContact CZ3-CZ 3.9Å; I611-F629 HydrophobicContact CD1-CB 4.02Å; I611-F629 HydrophobicContact CD1-CD1 4.41Å; I611-F629 HydrophobicContact CD1-CD2 3.75Å; I611-F629 HydrophobicContact CD1-CE2 4.35Å; I611-F629 HydrophobicContact CD1-CG 3.8Å; I611-F629 HydrophobicContact CG1-CD2 4.45Å; I611-F629 HydrophobicContact CG1-CG 4.42Å; I611-F629 HydrophobicContact CG2-CD1 4.01Å; I611-F629 HydrophobicContact CG2-CG 4.34Å; I615-F629 HydrophobicContact CD1-CD1 3.74Å; I615-F629 HydrophobicContact CD1-CE1 4.21Å; S617-F629 CarbonylContact O-C 3.51Å; S617-F629 WeakPolarHBondContact O-CA 3.47Å; A618-F629 HydrophobicContact CB-CD1 3.68Å; A618-F629 HydrophobicContact CB-CE1 3.82Å; A618-F629 HydrophobicContact CB-CG 4.35Å; F629-Y635 CarbonylContact O-C 3.59Å; F629-Y635 WeakPolarHBondContact O-CA 3.41Å; F629-Y635 WeakPolarHBondContact O-CB 3.25Å; F629-F636 HydrophobicContact CB-CB 4.34Å; F629-F636 PolarHBondContact N-O 3.29Å; F629-F636 PolarHBondContact O-N 3.44Å; F629-L638 HydrophobicContact CD2-CB 4.29Å; F629-L638 HydrophobicContact CE2-CB 4.01Å; F629-L638 HydrophobicContact CE2-CD2 3.8Å; F629-L638 HydrophobicContact CE2-CG 4.47Å; F629-L638 HydrophobicContact CZ-CD2 4.4Å
630	F	91.4	Very high	86.5	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.2	-173.2	-69.8	-109	0	0	0	109.5	V475 D616 S617 F619 I651 W655	V475-F630 HydrophobicContact CG2-CD1 4.46Å; D616-F630 PolarHBondContact N-O 2.85Å; S617-F630 PolarHBondContact O-N 2.77Å; F619-F630 HydrophobicContact CD1-CD2 4.39Å; F619-F630 AromaticContact CD1-CE2 3.79Å; F619-F630 HydrophobicContact CD1-CE2 3.79Å; F619-F630 HydrophobicContact CE1-CD2 4.11Å; F619-F630 AromaticContact CE1-CE2 3.18Å; F619-F630 HydrophobicContact CE1-CE2 3.18Å; F619-F630 AromaticContact CE1-CZ 3.54Å; F619-F630 HydrophobicContact CE1-CZ 3.54Å; F619-F630 HydrophobicContact CZ-CE2 4.07Å; F619-F630 HydrophobicContact CZ-CZ 4.11Å; F630-I651 HydrophobicContact CD1-CD1 3.54Å; F630-I651 HydrophobicContact CD1-CG1 3.71Å; F630-I651 HydrophobicContact CE1-CD1 4.22Å; F630-I651 HydrophobicContact CE1-CG1 3.9Å; F630-I651 HydrophobicContact CE1-CG2 4.28Å; F630-W655 HydrophobicContact CE1-CG 4.49Å; F630-W655 HydrophobicContact CZ-CD2 4.2Å; F630-W655 AromaticContact CZ-CE2 3.74Å; F630-W655 AromaticContact CZ-CZ2 3.95Å; F630-W655 HydrophobicContact CZ-CZ2 3.95Å; F630-W655 AromaticContact CZ-NE1 3.82Å
631	K	91	Very high	86.4	Confident	73 Å²	73	41.4 Å²	41.4	32%	0.317	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	121.9	171.4	-173	166.5	-175.5	158.4	0	111.2	P612 D613 D614 D616 S633 H634 F636	P612-K631 HydrophobicContact CB-CD 3.75Å; P612-K631 HydrophobicContact CG-CB 4.27Å; P612-K631 HydrophobicContact CG-CD 3.4Å; P612-K631 VanDerWaalsContact CG-CD 3.4Å; P612-K631 HydrophobicContact CG-CG 4.43Å; D613-K631 PolarHBondContact O-NZ 3.32Å; D614-K631 WeakPolarHBondContact O-CE 3.4Å; D614-K631 PolarHBondContact O-NZ 2.75Å; D616-K631 VanDerWaalsContact OD2-CA 3.27Å; D616-K631 WeakPolarHBondContact OD2-CA 3.26Å; K631-S633 PolarHBondContact O-N 2.79Å; K631-H634 PolarHBondContact N-O 2.93Å; K631-H634 PolarHBondContact O-N 2.95Å; K631-H634 VanDerWaalsContact O-N 3.11Å; K631-H634 VanDerWaalsContact O-O 3.11Å; K631-F636 HydrophobicContact CB-CE2 4.3Å
632	G	87.7	Confident	86.6	Confident	23 Å²	23	43.4 Å²	43.4	24%	0.237	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	-124.8	-172.5	0	0	0	0	0	111.1	D616 I651	D616-G632 PolarHBondContact OD2-N 2.89Å; G632-I651 VanDerWaalsContact O-CD1 3.28Å; G632-I651 WeakPolarHBondContact O-CD1 3.44Å
633	S	85.7	Confident	87.1	Confident	45 Å²	45	43.8 Å²	43.8	32%	0.315	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	5.5	178.5	55.2	0	0	0	0	114.7	K631 I651	K631-S633 PolarHBondContact O-N 2.79Å; S633-I651 WeakPolarHBondContact O-CG1 3.31Å; S633-I651 PolarHBondContact O-N 2.99Å
634	H	90.6	Very high	87.8	Confident	85 Å²	85	46.6 Å²	46.6	39%	0.394	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	158.2	-172.8	-60.3	79.7	0	0	0	112.3	K631 L648 G649	K631-H634 PolarHBondContact N-O 2.93Å; K631-H634 PolarHBondContact O-N 2.95Å; K631-H634 VanDerWaalsContact O-N 3.11Å; K631-H634 VanDerWaalsContact O-O 3.11Å; H634-L648 HydrophobicContact CB-CD1 4.06Å; H634-G649 VanDerWaalsContact CA-O 3.31Å; H634-G649 WeakPolarHBondContact CA-O 3.32Å
635	Y	92	Very high	88.4	Confident	9 Å²	9	46.5 Å²	46.5	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	149.5	172.6	77	-84.1	0	0	0	112.2	Y628 F629 K637 K647 L648 G649 I651 D654 W655	Y628-Y635 AromaticContact CD1-CD2 3.77Å; Y628-Y635 HydrophobicContact CD1-CD2 3.77Å; Y628-Y635 AromaticContact CD1-CE2 3.85Å; Y628-Y635 HydrophobicContact CD1-CE2 3.85Å; Y628-Y635 HydrophobicContact CE1-CD2 4.43Å; Y628-Y635 HydrophobicContact CE1-CE2 4.05Å; F629-Y635 CarbonylContact O-C 3.59Å; F629-Y635 WeakPolarHBondContact O-CA 3.41Å; F629-Y635 WeakPolarHBondContact O-CB 3.25Å; Y635-K637 HydrophobicContact CE2-CB 4.16Å; Y635-K647 WeakPolarHBondContact OH-CE 3.15Å; Y635-K647 PolarHBondContact OH-NZ 3.11Å; Y635-K647 VanDerWaalsContact OH-NZ 3.12Å; Y635-L648 WeakPolarHBondContact O-CA 3.47Å; Y635-L648 WeakPolarHBondContact O-CD1 3.39Å; Y635-G649 WeakPolarHBondContact CD1-O 3.44Å; Y635-G649 PolarHBondContact N-O 2.96Å; Y635-G649 PolarHBondContact O-N 2.84Å; Y635-I651 HydrophobicContact CD1-CG1 4.35Å; Y635-D654 HydrophobicContact CE1-CB 3.67Å; Y635-D654 VanDerWaalsContact CE1-OD2 3.25Å; Y635-D654 WeakPolarHBondContact CE1-OD2 3.29Å; Y635-D654 PolarHBondContact OH-OD2 2.6Å; Y635-W655 AromaticContact CD1-CD1 3.64Å; Y635-W655 AromaticContact CD1-NE1 3.46Å; Y635-W655 AromaticContact CD2-NE1 3.77Å; Y635-W655 AromaticContact CE1-CD1 3.67Å; Y635-W655 AromaticContact CE1-NE1 3.52Å; Y635-W655 AromaticContact CE2-NE1 3.81Å; Y635-W655 AromaticContact CG-NE1 3.6Å; Y635-W655 AromaticContact CZ-NE1 3.71Å
636	F	92.8	Very high	88.8	Confident	37 Å²	37	44.4 Å²	44.4	16%	0.162	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.8	175.7	-54.9	-94.6	0	0	0	108.9	I611 P612 Y628 F629 K631 I645 L648	I611-F636 HydrophobicContact CD1-CB 3.92Å; I611-F636 HydrophobicContact CD1-CG 4.34Å; P612-F636 HydrophobicContact CG-CE2 3.82Å; P612-F636 HydrophobicContact CG-CZ 4.08Å; Y628-F636 WeakPolarHBondContact CA-O 3.35Å; F629-F636 HydrophobicContact CB-CB 4.34Å; F629-F636 PolarHBondContact N-O 3.29Å; F629-F636 PolarHBondContact O-N 3.44Å; K631-F636 HydrophobicContact CB-CE2 4.3Å; F636-I645 HydrophobicContact CB-CG2 4.38Å; F636-I645 HydrophobicContact CD1-CD1 4.13Å; F636-I645 HydrophobicContact CD1-CG2 4.4Å; F636-L648 HydrophobicContact CD1-CD1 3.83Å; F636-L648 HydrophobicContact CE1-CD1 3.63Å; F636-L648 HydrophobicContact CE2-CD1 4.47Å; F636-L648 HydrophobicContact CG-CD1 4.35Å; F636-L648 HydrophobicContact CZ-CD1 3.97Å
637	K	91.7	Very high	88.9	Confident	39 Å²	39	45.4 Å²	45.4	17%	0.17	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.8	173.8	-171.3	178.8	-178.5	-164.5	0	109.5	Y626 Y628 Y635 I645 I646 K647	Y626-K637 HydrophobicContact CD1-CG 4.39Å; Y626-K637 HydrophobicContact CG-CD 4.39Å; Y626-K637 HydrophobicContact CG-CG 4.33Å; Y628-K637 HydrophobicContact CD1-CB 4.17Å; Y628-K637 HydrophobicContact CD1-CG 4.03Å; Y628-K637 HydrophobicContact CE1-CB 4.13Å; Y628-K637 HydrophobicContact CE1-CD 3.85Å; Y628-K637 HydrophobicContact CE1-CG 3.63Å; Y628-K637 WeakPolarHBondContact OH-CE 3.44Å; Y635-K637 HydrophobicContact CE2-CB 4.16Å; K637-I645 CarbonylContact O-C 3.58Å; K637-I645 WeakPolarHBondContact O-CA 3.12Å; K637-I646 HydrophobicContact CB-CG1 4.04Å; K637-I646 HydrophobicContact CD-CD1 3.6Å; K637-I646 HydrophobicContact CD-CG1 3.9Å; K637-I646 HydrophobicContact CG-CD1 3.88Å; K637-I646 HydrophobicContact CG-CG1 3.77Å; K637-I646 VanDerWaalsContact O-CG1 3.32Å; K637-I646 WeakPolarHBondContact O-CG1 3.5Å; K637-I646 PolarHBondContact O-N 3.33Å; K637-K647 HydrophobicContact CB-CB 4.04Å; K637-K647 HydrophobicContact CD-CB 4.47Å; K637-K647 PolarHBondContact N-O 3.37Å
638	L	90.6	Very high	89	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.5	177.9	-165.8	80.4	0	0	0	110.1	W608 Y626 S627 F629 L643 I645	W608-L638 HydrophobicContact CE3-CD2 3.93Å; W608-L638 HydrophobicContact CZ3-CD2 3.74Å; Y626-L638 VanDerWaalsContact CA-O 3.25Å; Y626-L638 WeakPolarHBondContact CA-O 3.32Å; S627-L638 PolarHBondContact N-O 3.1Å; S627-L638 WeakPolarHBondContact O-CB 3.5Å; S627-L638 PolarHBondContact O-N 3.43Å; F629-L638 HydrophobicContact CD2-CB 4.29Å; F629-L638 HydrophobicContact CE2-CB 4.01Å; F629-L638 HydrophobicContact CE2-CD2 3.8Å; F629-L638 HydrophobicContact CE2-CG 4.47Å; F629-L638 HydrophobicContact CZ-CD2 4.4Å; L638-L643 HydrophobicContact CD2-CD2 3.96Å; L638-I645 HydrophobicContact CD1-CG1 3.91Å
639	E	89.1	Confident	88.9	Confident	59 Å²	59	50.2 Å²	50.2	28%	0.276	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.7	168.2	-176	-177.6	-122	0	0	110.7	Y626 S641 S642 L643 K644 I646	Y626-E639 HydrophobicContact CD1-CB 4.15Å; Y626-E639 HydrophobicContact CD1-CG 4.41Å; Y626-E639 HydrophobicContact CE1-CB 4.06Å; Y626-E639 HydrophobicContact CE1-CG 4.04Å; E639-S641 WeakPolarHBondContact CG-OG 3.04Å; E639-S641 PolarHBondContact O-N 3.46Å; E639-S641 PolarHBondContact OE2-OG 3.26Å; E639-S642 PolarHBondContact O-N 2.03Å; E639-S642 WeakPolarHBondContact OE2-CB 3.39Å; E639-S642 PolarHBondContact OE2-OG 3.06Å; E639-L643 VanDerWaalsContact O-CA 3.26Å; E639-L643 WeakPolarHBondContact O-CA 3.44Å; E639-L643 PolarHBondContact O-N 3.15Å; E639-K644 PolarHBondContact N-O 2.95Å; E639-I646 HydrophobicContact CB-CG2 3.97Å
640	D	85.6	Confident	88.7	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.027	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.3	-171.6	-66.5	-2.6	0	0	0	112.6	F571 K573 D625 S627	F571-D640 HydrophobicContact CE2-CB 3.76Å; F571-D640 WeakPolarHBondContact CE2-OD1 3.3Å; F571-D640 HydrophobicContact CZ-CB 3.85Å; K573-D640 HydrophobicContact CD-CB 4.43Å; K573-D640 WeakPolarHBondContact CD-O 3.47Å; K573-D640 PolarHBondContact NZ-O 2.85Å; D625-D640 PolarHBondContact O-N 2.79Å; D625-D640 VanDerWaalsContact O-N 3.1Å; S627-D640 WeakPolarHBondContact CB-OD1 3.39Å; S627-D640 PolarHBondContact N-OD1 3.04Å; S627-D640 PolarHBondContact OG-OD1 2.94Å; S627-D640 PolarHBondContact OG-OD2 3.19Å
641	S	84.1	Confident	88.4	Confident	76 Å²	76	53.4 Å²	53.4	53%	0.531	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-47.1	-179.3	70.9	0	0	0	0	111.6	K573 E639	K573-S641 PolarHBondContact NZ-O 3.16Å; K573-S641 VanDerWaalsContact NZ-O 3.07Å; E639-S641 WeakPolarHBondContact CG-OG 3.04Å; E639-S641 PolarHBondContact O-N 3.46Å; E639-S641 PolarHBondContact OE2-OG 3.26Å
642	S	84.3	Confident	88.1	Confident	48 Å²	48	51 Å²	51	34%	0.336	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-12	-172.7	68.4	0	0	0	0	114.2	E639 K644	E639-S642 PolarHBondContact O-N 2.03Å; E639-S642 WeakPolarHBondContact OE2-CB 3.39Å; E639-S642 PolarHBondContact OE2-OG 3.06Å; S642-K644 PolarHBondContact O-N 3.09Å; S642-K644 PolarHBondContact OG-N 3.36Å
643	L	83.9	Confident	87.9	Confident	71 Å²	71	55.8 Å²	55.8	37%	0.372	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	35.6	-170.7	-58	177.1	0	0	0	112.3	F571 W608 L638 E639	F571-L643 HydrophobicContact CZ-CD2 4Å; W608-L643 HydrophobicContact CZ3-CD2 4.22Å; L638-L643 HydrophobicContact CD2-CD2 3.96Å; E639-L643 VanDerWaalsContact O-CA 3.26Å; E639-L643 WeakPolarHBondContact O-CA 3.44Å; E639-L643 PolarHBondContact O-N 3.15Å
644	K	86.3	Confident	87.9	Confident	144 Å²	144	56.4 Å²	56.4	63%	0.626	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	141.8	176.2	-68	-177.5	179	179.6	0	110.7	E639 S642 I646	E639-K644 PolarHBondContact N-O 2.95Å; S642-K644 PolarHBondContact O-N 3.09Å; S642-K644 PolarHBondContact OG-N 3.36Å; K644-I646 PolarHBondContact O-N 2.72Å
645	I	87.6	Confident	87.5	Confident	57 Å²	57	52.5 Å²	52.5	29%	0.292	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.9	172.1	-59.3	172.7	0	0	0	108.1	G610 I611 F636 K637 L638	G610-I645 VanDerWaalsContact O-CD1 3.23Å; G610-I645 WeakPolarHBondContact O-CD1 3.31Å; I611-I645 HydrophobicContact CD1-CD1 3.88Å; I611-I645 HydrophobicContact CD1-CG1 4.22Å; F636-I645 HydrophobicContact CB-CG2 4.38Å; F636-I645 HydrophobicContact CD1-CD1 4.13Å; F636-I645 HydrophobicContact CD1-CG2 4.4Å; K637-I645 CarbonylContact O-C 3.58Å; K637-I645 WeakPolarHBondContact O-CA 3.12Å; L638-I645 HydrophobicContact CD1-CG1 3.91Å
646	I	89.8	Confident	87.1	Confident	79 Å²	79	52.1 Å²	52.1	41%	0.405	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-21.1	-176.8	59.5	162.3	0	0	0	112.7	Y626 K637 E639 K644	Y626-I646 HydrophobicContact CD1-CD1 3.61Å; Y626-I646 HydrophobicContact CE1-CD1 3.22Å; Y626-I646 HydrophobicContact CE1-CG1 4.46Å; K637-I646 HydrophobicContact CB-CG1 4.04Å; K637-I646 HydrophobicContact CD-CD1 3.6Å; K637-I646 HydrophobicContact CD-CG1 3.9Å; K637-I646 HydrophobicContact CG-CD1 3.88Å; K637-I646 HydrophobicContact CG-CG1 3.77Å; K637-I646 VanDerWaalsContact O-CG1 3.32Å; K637-I646 WeakPolarHBondContact O-CG1 3.5Å; K637-I646 PolarHBondContact O-N 3.33Å; E639-I646 HydrophobicContact CB-CG2 3.97Å; K644-I646 PolarHBondContact O-N 2.72Å
647	K	89.4	Confident	86.3	Confident	87 Å²	87	52.3 Å²	52.3	38%	0.378	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	136.6	178.5	-174.6	-178.4	173.4	-164.1	0	110.3	Y635 K637 D654	Y635-K647 WeakPolarHBondContact OH-CE 3.15Å; Y635-K647 PolarHBondContact OH-NZ 3.11Å; Y635-K647 VanDerWaalsContact OH-NZ 3.12Å; K637-K647 HydrophobicContact CB-CB 4.04Å; K637-K647 HydrophobicContact CD-CB 4.47Å; K637-K647 PolarHBondContact N-O 3.37Å; K647-D654 WeakPolarHBondContact CE-OD2 3.23Å; K647-D654 VanDerWaalsContact NZ-CG 3.31Å; K647-D654 IonicContact NZ-OD1 3.28Å; K647-D654 PolarHBondContact NZ-OD1 3.35Å; K647-D654 IonicContact NZ-OD2 3.97Å; K647-D654 PolarHBondContact NZ-OD2 3.42Å
648	L	91.4	Very high	85.7	Confident	103 Å²	103	54 Å²	54	54%	0.539	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.2	158.1	177	62.8	0	0	0	107	H634 Y635 F636	H634-L648 HydrophobicContact CB-CD1 4.06Å; Y635-L648 WeakPolarHBondContact O-CA 3.47Å; Y635-L648 WeakPolarHBondContact O-CD1 3.39Å; F636-L648 HydrophobicContact CD1-CD1 3.83Å; F636-L648 HydrophobicContact CE1-CD1 3.63Å; F636-L648 HydrophobicContact CE2-CD1 4.47Å; F636-L648 HydrophobicContact CG-CD1 4.35Å; F636-L648 HydrophobicContact CZ-CD1 3.97Å
649	G	88.9	Confident	85.4	Confident	9 Å²	9	56.7 Å²	56.7	9%	0.093	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	171.5	179.7	0	0	0	0	0	112.5	H634 Y635	H634-G649 VanDerWaalsContact CA-O 3.31Å; H634-G649 WeakPolarHBondContact CA-O 3.32Å; Y635-G649 WeakPolarHBondContact CD1-O 3.44Å; Y635-G649 PolarHBondContact N-O 2.96Å; Y635-G649 PolarHBondContact O-N 2.84Å
650	E	88.4	Confident	85.2	Confident	65 Å²	65	56.5 Å²	56.5	30%	0.304	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.4	179.1	-164	-177.3	169.8	0	0	109.1	T652 K653 D654	E650-T652 WeakPolarHBondContact CG-OG1 3.5Å; E650-T652 PolarHBondContact OE1-OG1 2.92Å; E650-T652 VanDerWaalsContact OE1-OG1 3.06Å; E650-K653 WeakPolarHBondContact OE2-CD 3.45Å; E650-K653 VanDerWaalsContact OE2-CE 3.31Å; E650-K653 WeakPolarHBondContact OE2-CE 3.25Å; E650-K653 IonicContact OE2-NZ 3.2Å; E650-K653 PolarHBondContact OE2-NZ 2.72Å; E650-D654 WeakPolarHBondContact O-CB 3.43Å; E650-D654 PolarHBondContact O-N 2.58Å
651	I	86.5	Confident	85.2	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-47.2	-173.8	-61.5	164.8	0	0	0	110.6	F472 F630 G632 S633 Y635 K653 W655 L656	F472-I651 HydrophobicContact CD2-CG2 4.41Å; F472-I651 HydrophobicContact CE2-CG2 4.04Å; F630-I651 HydrophobicContact CD1-CD1 3.54Å; F630-I651 HydrophobicContact CD1-CG1 3.71Å; F630-I651 HydrophobicContact CE1-CD1 4.22Å; F630-I651 HydrophobicContact CE1-CG1 3.9Å; F630-I651 HydrophobicContact CE1-CG2 4.28Å; G632-I651 VanDerWaalsContact O-CD1 3.28Å; G632-I651 WeakPolarHBondContact O-CD1 3.44Å; S633-I651 WeakPolarHBondContact O-CG1 3.31Å; S633-I651 PolarHBondContact O-N 2.99Å; Y635-I651 HydrophobicContact CD1-CG1 4.35Å; I651-K653 VanDerWaalsContact C-N 3.28Å; I651-K653 PolarHBondContact O-N 3.43Å; I651-W655 HydrophobicContact CG2-CB 4.28Å; I651-W655 WeakPolarHBondContact O-CA 3.44Å; I651-W655 WeakPolarHBondContact O-CB 3.31Å; I651-W655 PolarHBondContact O-N 3.03Å; I651-L656 HydrophobicContact CG2-CD1 4.48Å; I651-L656 HydrophobicContact CG2-CG 4.29Å; I651-L656 PolarHBondContact O-N 3.48Å
652	T	82.8	Confident	85.3	Confident	22 Å²	22	58.4 Å²	58.4	14%	0.135	31%	0.312	C	S	.	.	H	α-helix	trans	-54.3	-43.7	-178.8	50.7	0	0	0	0	112.3	E650 L656 G657 C658	E650-T652 WeakPolarHBondContact CG-OG1 3.5Å; E650-T652 PolarHBondContact OE1-OG1 2.92Å; E650-T652 VanDerWaalsContact OE1-OG1 3.06Å; T652-L656 HydrophobicContact CG2-CD1 4.34Å; T652-L656 WeakPolarHBondContact O-CB 3.23Å; T652-L656 PolarHBondContact O-N 3.21Å; T652-G657 PolarHBondContact O-N 3.12Å; T652-C658 WeakPolarHBondContact O-CB 3.4Å; T652-C658 PolarHBondContact O-N 3.23Å
653	K	84	Confident	85.3	Confident	125 Å²	125	59.1 Å²	59.1	54%	0.543	31%	0.31	S	S	.	.	H	α-helix	trans	-80.7	-49.9	-177.9	-67.7	-179.1	-177.2	136.5	0	114.1	E650 I651 C658	E650-K653 WeakPolarHBondContact OE2-CD 3.45Å; E650-K653 VanDerWaalsContact OE2-CE 3.31Å; E650-K653 WeakPolarHBondContact OE2-CE 3.25Å; E650-K653 IonicContact OE2-NZ 3.2Å; E650-K653 PolarHBondContact OE2-NZ 2.72Å; I651-K653 VanDerWaalsContact C-N 3.28Å; I651-K653 PolarHBondContact O-N 3.43Å; K653-C658 VanDerWaalsContact CA-OXT 3.29Å; K653-C658 WeakPolarHBondContact CA-OXT 3.48Å
654	D	85.5	Confident	85.4	Confident	57 Å²	57	58.3 Å²	58.3	31%	0.305	31%	0.306	S	S	.	.	H	α-helix	trans	-83.8	-25.2	-170.2	-73.7	-35.9	0	0	0	113	Y635 K647 E650	Y635-D654 HydrophobicContact CE1-CB 3.67Å; Y635-D654 VanDerWaalsContact CE1-OD2 3.25Å; Y635-D654 WeakPolarHBondContact CE1-OD2 3.29Å; Y635-D654 PolarHBondContact OH-OD2 2.6Å; K647-D654 WeakPolarHBondContact CE-OD2 3.23Å; K647-D654 VanDerWaalsContact NZ-CG 3.31Å; K647-D654 IonicContact NZ-OD1 3.28Å; K647-D654 PolarHBondContact NZ-OD1 3.35Å; K647-D654 IonicContact NZ-OD2 3.97Å; K647-D654 PolarHBondContact NZ-OD2 3.42Å; E650-D654 WeakPolarHBondContact O-CB 3.43Å; E650-D654 PolarHBondContact O-N 2.58Å
655	W	83.4	Confident	85.3	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.015	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-34.1	-173.9	-69.7	91	0	0	0	114.3	T482 F484 F496 F619 L621 Y628 F630 Y635 I651	T482-W655 HydrophobicContact CG2-CZ3 4.35Å; F484-W655 HydrophobicContact CE1-CB 4.26Å; F484-W655 HydrophobicContact CZ-CB 4.17Å; F484-W655 HydrophobicContact CZ-CE3 4.05Å; F496-W655 HydrophobicContact CB-CE3 3.71Å; F496-W655 HydrophobicContact CB-CH2 4.44Å; F496-W655 HydrophobicContact CB-CZ3 3.5Å; F496-W655 HydrophobicContact CD2-CZ3 4.48Å; F496-W655 HydrophobicContact CG-CZ3 4.23Å; F619-W655 HydrophobicContact CE1-CH2 4.36Å; F619-W655 AromaticContact CE2-CH2 3.8Å; F619-W655 HydrophobicContact CE2-CH2 3.8Å; F619-W655 HydrophobicContact CE2-CZ3 4.1Å; F619-W655 HydrophobicContact CZ-CE3 4.41Å; F619-W655 AromaticContact CZ-CH2 3.33Å; F619-W655 HydrophobicContact CZ-CH2 3.33Å; F619-W655 HydrophobicContact CZ-CZ2 4.06Å; F619-W655 AromaticContact CZ-CZ3 3.54Å; F619-W655 HydrophobicContact CZ-CZ3 3.54Å; L621-W655 HydrophobicContact CD1-CH2 3.93Å; L621-W655 HydrophobicContact CD2-CH2 4.46Å; L621-W655 HydrophobicContact CG-CH2 4.32Å; Y628-W655 HydrophobicContact CD1-CH2 4.35Å; Y628-W655 AromaticContact CD1-CZ2 3.51Å; Y628-W655 HydrophobicContact CD1-CZ2 3.51Å; Y628-W655 HydrophobicContact CD2-CH2 4.27Å; Y628-W655 HydrophobicContact CD2-CZ2 4.19Å; Y628-W655 HydrophobicContact CE1-CH2 4.38Å; Y628-W655 AromaticContact CE1-CZ2 3.67Å; Y628-W655 HydrophobicContact CE1-CZ2 3.67Å; Y628-W655 HydrophobicContact CE2-CH2 4.39Å; Y628-W655 HydrophobicContact CE2-CZ2 4.4Å; Y628-W655 HydrophobicContact CG-CH2 4.24Å; Y628-W655 AromaticContact CG-CZ2 3.73Å; Y628-W655 HydrophobicContact CG-CZ2 3.73Å; F630-W655 HydrophobicContact CE1-CG 4.49Å; F630-W655 HydrophobicContact CZ-CD2 4.2Å; F630-W655 AromaticContact CZ-CE2 3.74Å; F630-W655 AromaticContact CZ-CZ2 3.95Å; F630-W655 HydrophobicContact CZ-CZ2 3.95Å; F630-W655 AromaticContact CZ-NE1 3.82Å; Y635-W655 AromaticContact CD1-CD1 3.64Å; Y635-W655 AromaticContact CD1-NE1 3.46Å; Y635-W655 AromaticContact CD2-NE1 3.77Å; Y635-W655 AromaticContact CE1-CD1 3.67Å; Y635-W655 AromaticContact CE1-NE1 3.52Å; Y635-W655 AromaticContact CE2-NE1 3.81Å; Y635-W655 AromaticContact CG-NE1 3.6Å; Y635-W655 AromaticContact CZ-NE1 3.71Å; I651-W655 HydrophobicContact CG2-CB 4.28Å; I651-W655 WeakPolarHBondContact O-CA 3.44Å; I651-W655 WeakPolarHBondContact O-CB 3.31Å; I651-W655 PolarHBondContact O-N 3.03Å
656	L	82.2	Confident	85.2	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.283	C	S	.	.	S	Bend	trans	-93.5	-6.6	-177.2	-49.4	-177.3	0	0	0	113.3	I465 F472 F484 K499 P500 I651 T652 C658	I465-L656 HydrophobicContact CB-CD1 4.21Å; I465-L656 HydrophobicContact CD1-CB 4.12Å; I465-L656 HydrophobicContact CD1-CD1 4.15Å; I465-L656 HydrophobicContact CD1-CD2 4.18Å; I465-L656 HydrophobicContact CD1-CG 4.37Å; I465-L656 HydrophobicContact CG1-CD1 4.31Å; F472-L656 HydrophobicContact CE2-CD1 3.95Å; F472-L656 HydrophobicContact CE2-CD2 3.93Å; F472-L656 HydrophobicContact CE2-CG 4.45Å; F472-L656 HydrophobicContact CZ-CD1 3.9Å; F472-L656 HydrophobicContact CZ-CD2 3.82Å; F484-L656 HydrophobicContact CD1-CD2 4.28Å; F484-L656 HydrophobicContact CE1-CD2 4.11Å; F484-L656 HydrophobicContact CZ-CD2 4.26Å; K499-L656 WeakPolarHBondContact CA-O 3.04Å; P500-L656 WeakPolarHBondContact CD-O 2.97Å; P500-L656 HydrophobicContact CG-CD2 4.23Å; I651-L656 HydrophobicContact CG2-CD1 4.48Å; I651-L656 HydrophobicContact CG2-CG 4.29Å; I651-L656 PolarHBondContact O-N 3.48Å; T652-L656 HydrophobicContact CG2-CD1 4.34Å; T652-L656 WeakPolarHBondContact O-CB 3.23Å; T652-L656 PolarHBondContact O-N 3.21Å; L656-C658 PolarHBondContact O-N 3.06Å
657	G	77.3	Confident	84.8	Confident	41 Å²	41	49.5 Å²	49.5	42%	0.423	27%	0.273	S	S	.	.			trans	67.3	24	178.8	0	0	0	0	0	113.6	T652	T652-G657 PolarHBondContact O-N 3.12Å
658	C	77.6	Confident	84.4	Confident	74 Å²	74	46.1 Å²	46.1	50%	0.5	26%	0.263	S	S	.	.			trans	-87.4	0	162.6	-36.5	0	0	0	0	109.1	C466 T652 K653 L656	C466-C658 WeakPolarHBondContact CA-SG 3.31Å; C466-C658 HydrophobicContact CB-CB 3.76Å; C466-C658 WeakPolarHBondContact CB-SG 3.35Å; C466-C658 WeakPolarHBondContact SG-CB 3.26Å; C466-C658 CovalentContact SG-SG 2.03Å; C466-C658 PolarHBondContact SG-SG 2.7Å; T652-C658 WeakPolarHBondContact O-CB 3.4Å; T652-C658 PolarHBondContact O-N 3.23Å; K653-C658 VanDerWaalsContact CA-OXT 3.29Å; K653-C658 WeakPolarHBondContact CA-OXT 3.48Å; L656-C658 PolarHBondContact O-N 3.06Å

Retrieved 658 of 658 residues in 218.7 ms (Link to these results)

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