A0A068BD53_MOUSE Loading...

MHC class II antigen O region beta locus

AlphaFold DB , UniProt , Accession A0A068BD53, Species MOUSE (Mus musculus, Mouse), Gene H2-Ob, Length 271 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	37.3	Very low	38.9	Very low	254 Å²	254	145.3 Å²	145.3	100%	1.251	88%	0.878	S	S	*	*				0	114.7	0	-70.6	153.7	156	0	0	107
2	G	35.8	Very low	39	Very low	78 Å²	78	145.3 Å²	145.3	80%	0.804	87%	0.868	S	S	*	*			cis	-156.9	130.6	-11.3	0	0	0	0	0	104.7
3	A	40	Very low	39	Very low	114 Å²	114	145.5 Å²	145.5	94%	0.942	86%	0.861	S	S	*	*			trans	-77.9	147.1	169.1	0	0	0	0	0	108.9
4	G	32.2	Very low	38.8	Very low	75 Å²	75	144.8 Å²	144.8	77%	0.773	86%	0.858	S	S	*	*			trans	-179.2	77.8	171.4	0	0	0	0	0	112.8	A6	G4-A6 PolarHBondContact O-N 3.38Å
5	R	46.9	Very low	38.8	Very low	249 Å²	249	146.5 Å²	146.5	94%	0.94	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-59.7	124.9	159.6	-83.2	177.9	175.4	176.3	-2.4	108.2
6	A	35.7	Very low	38.8	Very low	98 Å²	98	146.3 Å²	146.3	81%	0.81	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-88.6	123.1	165.8	0	0	0	0	0	109.5	G4	G4-A6 PolarHBondContact O-N 3.38Å
7	P	40.6	Very low	38.5	Very low	111 Å²	111	148.8 Å²	148.8	72%	0.721	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-91.1	140.7	-178.5	9	9.7	0	0	0	113.2	V9	P7-V9 PolarHBondContact O-N 3.32Å
8	W	40.3	Very low	38.5	Very low	252 Å²	252	152.2 Å²	152.2	96%	0.955	86%	0.855	S	S	*	*			trans	1.9	88.8	144.5	-60.8	46.1	0	0	0	116.9
9	V	44	Very low	38.8	Very low	136 Å²	136	152.9 Å²	152.9	82%	0.824	86%	0.856	S	S	*	*			trans	-160.2	147	144.3	-168.3	0	0	0	0	107.9	P7	P7-V9 PolarHBondContact O-N 3.32Å
10	V	39	Very low	38.8	Very low	125 Å²	125	150.1 Å²	150.1	76%	0.758	84%	0.839	S	S	*	*			trans	91.3	60.6	171.1	-154.7	0	0	0	0	115.8
11	A	36.6	Very low	39	Very low	106 Å²	106	147.5 Å²	147.5	88%	0.876	83%	0.831	S	S	*	*			trans	-108.8	81.9	144.4	0	0	0	0	0	107.7
12	L	39.5	Very low	39.2	Very low	145 Å²	145	143.3 Å²	143.3	76%	0.759	81%	0.806	S	S	*	*			trans	-150.4	139.7	170.9	-114.4	156.2	0	0	0	107.9
13	L	38.5	Very low	39.3	Very low	148 Å²	148	147.7 Å²	147.7	78%	0.775	81%	0.807	S	S	*	*			trans	82.8	94.9	-175.8	-45.9	170.4	0	0	0	111.7
14	V	36.4	Very low	39.7	Very low	136 Å²	136	148.2 Å²	148.2	82%	0.824	79%	0.793	S	S	*	*				-146.4	98.1	64.4	-175	0	0	0	0	110.4
15	N	39	Very low	40.6	Very low	170 Å²	170	153.7 Å²	153.7	91%	0.909	80%	0.799	S	S	*	*			trans	-128.6	84.6	155	-96.8	-50.7	0	0	0	105.3
16	L	38.3	Very low	40.8	Very low	143 Å²	143	144.3 Å²	144.3	75%	0.749	78%	0.779	S	S	*	*			trans	-138.8	139	170.8	-98.4	165.4	0	0	0	108.3
17	M	34.2	Very low	41.8	Very low	189 Å²	189	150.4 Å²	150.4	93%	0.931	78%	0.782	S	S	*	*	S	Bend	trans	82.3	100.3	-166.2	-47.9	-174.3	-153.3	0	0	111.3
18	R	39.1	Very low	42.8	Very low	211 Å²	211	153 Å²	153	80%	0.796	79%	0.789	S	S	*	*			cis	-159.5	115.4	34.9	-159.8	173.7	-180	161.8	0.7	109.8	D20	R18-D20 VanDerWaalsContact C-N 3.26Å; R18-D20 HydrophobicContact CG-CB 4.22Å; R18-D20 IonicContact CZ-OD2 3.31Å; R18-D20 IonicContact NE-OD2 3.66Å; R18-D20 PolarHBondContact NE-OD2 3.47Å; R18-D20 IonicContact NH2-OD2 3.49Å; R18-D20 PolarHBondContact NH2-OD2 3.01Å; R18-D20 PolarHBondContact O-N 3.47Å; R18-D20 VanDerWaalsContact O-N 3.09Å
19	L	43.7	Very low	44	Very low	165 Å²	165	145.6 Å²	145.6	86%	0.864	78%	0.776	S	S	*	*			trans	-63.5	100.9	146.5	-113.6	94.7	0	0	0	105.5
20	D	39.7	Very low	45.4	Very low	97 Å²	97	143.6 Å²	143.6	52%	0.519	77%	0.766	S	S	.	*			trans	-139.4	65.7	147.4	-91.3	-34	0	0	0	105.1	R18 F22	R18-D20 VanDerWaalsContact C-N 3.26Å; R18-D20 HydrophobicContact CG-CB 4.22Å; R18-D20 IonicContact CZ-OD2 3.31Å; R18-D20 IonicContact NE-OD2 3.66Å; R18-D20 PolarHBondContact NE-OD2 3.47Å; R18-D20 IonicContact NH2-OD2 3.49Å; R18-D20 PolarHBondContact NH2-OD2 3.01Å; R18-D20 PolarHBondContact O-N 3.47Å; R18-D20 VanDerWaalsContact O-N 3.09Å; D20-F22 PolarHBondContact O-N 3.45Å
21	S	41.6	Very low	47.6	Very low	96 Å²	96	146.8 Å²	146.8	67%	0.671	77%	0.773	S	S	*	*			trans	-68.6	68.1	148.4	51.2	0	0	0	0	107.2	M23	S21-M23 PolarHBondContact O-N 3.5Å
22	F	41.3	Very low	50.1	Low	165 Å²	165	147.9 Å²	147.9	72%	0.724	76%	0.763	S	S	*	*			trans	-72	77	148.9	-124.6	-76.7	0	0	0	104.2	D20 I24	D20-F22 PolarHBondContact O-N 3.45Å; F22-I24 HydrophobicContact CD1-CD1 4.33Å; F22-I24 HydrophobicContact CD1-CG1 3.41Å; F22-I24 VanDerWaalsContact CD1-CG1 3.41Å; F22-I24 HydrophobicContact CE1-CG1 4.01Å; F22-I24 HydrophobicContact CG-CG1 4.36Å; F22-I24 PolarHBondContact O-N 3.33Å
23	M	39.6	Very low	52.6	Low	170 Å²	170	148.6 Å²	148.6	84%	0.837	76%	0.761	S	S	*	*			trans	-62.2	82.3	146	-67.2	-73.9	-90.1	0	0	103.4	S21 E25	S21-M23 PolarHBondContact O-N 3.5Å; M23-E25 PolarHBondContact O-N 3.02Å
24	I	48.7	Very low	55.3	Low	126 Å²	126	144.9 Å²	144.9	65%	0.646	74%	0.744	S	S	*	*			trans	-56	108.8	147.5	-57.2	-179	0	0	0	100.6	F22 G26	F22-I24 HydrophobicContact CD1-CD1 4.33Å; F22-I24 HydrophobicContact CD1-CG1 3.41Å; F22-I24 VanDerWaalsContact CD1-CG1 3.41Å; F22-I24 HydrophobicContact CE1-CG1 4.01Å; F22-I24 HydrophobicContact CG-CG1 4.36Å; F22-I24 PolarHBondContact O-N 3.33Å; I24-G26 PolarHBondContact O-N 2.99Å
25	E	49.3	Very low	58.2	Low	189 Å²	189	144 Å²	144	88%	0.883	73%	0.734	S	S	*	*			trans	-57.7	84.9	159.2	-169.4	162	-175.6	0	0	104.2	M23 R27	M23-E25 PolarHBondContact O-N 3.02Å; E25-R27 PolarHBondContact O-N 3.36Å
26	G	51	Low	61	Low	52 Å²	52	139.7 Å²	139.7	54%	0.536	71%	0.708	S	S	.	*			trans	-68.1	94.5	-176.9	0	0	0	0	0	103.3	I24 D28	I24-G26 PolarHBondContact O-N 2.99Å; G26-D28 PolarHBondContact O-N 3.46Å
27	R	57.1	Low	63.8	Low	227 Å²	227	136.3 Å²	136.3	86%	0.857	70%	0.701	S	S	*	*			trans	-43.6	113.2	163.4	-150.2	-177.2	-132.4	168.8	3.1	105	E25 S29	E25-R27 PolarHBondContact O-N 3.36Å; R27-S29 PolarHBondContact O-N 2.98Å; R27-S29 PolarHBondContact O-OG 3.06Å
28	D	62	Low	66.8	Low	165 Å²	165	132.2 Å²	132.2	88%	0.882	68%	0.678	S	S	*	*			trans	-45.7	95.1	-179	-93.2	-28.6	0	0	0	107.8	G26	G26-D28 PolarHBondContact O-N 3.46Å
29	S	66.3	Low	69.6	Low	97 Å²	97	125.5 Å²	125.5	68%	0.678	67%	0.667	S	S	*	*			trans	-77.9	123.3	171.6	-65	0	0	0	0	102.7	R27 E31	R27-S29 PolarHBondContact O-N 2.98Å; R27-S29 PolarHBondContact O-OG 3.06Å; S29-E31 PolarHBondContact O-N 2.91Å; S29-E31 VanDerWaalsContact O-N 3.16Å
30	P	73.6	Confident	72.2	Confident	94 Å²	94	120.4 Å²	120.4	61%	0.61	64%	0.641	S	S	*	*			trans	-50.6	130.3	-178.7	14.9	-26.5	0	0	0	108.9	N32	P30-N32 VanDerWaalsContact O-CG 3.26Å; P30-N32 PolarHBondContact O-N 3.37Å; P30-N32 PolarHBondContact O-ND2 2.92Å
31	E	83.5	Confident	75	Confident	192 Å²	192	117.5 Å²	117.5	90%	0.897	63%	0.628	S	S	*	*			trans	-59.8	102.6	178	-71.1	-175	170.4	0	0	108.4	S29	S29-E31 PolarHBondContact O-N 2.91Å; S29-E31 VanDerWaalsContact O-N 3.16Å
32	N	89.3	Confident	77.6	Confident	128 Å²	128	117.7 Å²	117.7	68%	0.684	62%	0.615	S	S	*	*			trans	-114.7	132.8	-177.7	-68.5	-49.3	0	0	0	108.9	P30	P30-N32 VanDerWaalsContact O-CG 3.26Å; P30-N32 PolarHBondContact O-N 3.37Å; P30-N32 PolarHBondContact O-ND2 2.92Å
33	F	92.6	Very high	80.3	Confident	160 Å²	160	113.3 Å²	113.3	70%	0.702	60%	0.596	S	S	*	*			trans	-123.8	143.8	171.9	58.3	-88.3	0	0	0	109.3	N59	F33-N59 WeakPolarHBondContact CA-OD1 3.29Å
34	V	96	Very high	83	Confident	70 Å²	70	109.3 Å²	109.3	42%	0.424	58%	0.58	S	S	.	*			trans	-129.3	129.8	179.7	-175.8	0	0	0	0	109	Q36 N59	V34-Q36 HydrophobicContact CG1-CG 3.64Å; V34-N59 PolarHBondContact N-OD1 3.17Å; V34-N59 PolarHBondContact O-N 2.92Å
35	I	95.6	Very high	85.2	Confident	118 Å²	118	109.3 Å²	109.3	61%	0.605	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.6	129.4	168.8	-58.2	175.7	0	0	0	107.2	I57 F58	I35-I57 WeakPolarHBondContact CA-O 3.15Å; I35-F58 HydrophobicContact CG1-CD2 3.95Å; I35-F58 HydrophobicContact CG1-CE2 4.27Å
36	Q	98	Very high	87.4	Confident	79 Å²	79	101.4 Å²	101.4	37%	0.369	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128	142.5	177.7	-43.8	-176.3	-68.9	0	0	109.9	V34 I57	V34-Q36 HydrophobicContact CG1-CG 3.64Å; Q36-I57 HydrophobicContact CB-CB 4.22Å; Q36-I57 PolarHBondContact N-O 3.29Å; Q36-I57 PolarHBondContact O-N 3.12Å
37	A	96.9	Very high	89.5	Confident	72 Å²	72	101.2 Å²	101.2	60%	0.595	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.2	166.1	0	0	0	0	0	108.7	R55 F56	A37-R55 CarbonylContact C-O 3.57Å; A37-R55 VanDerWaalsContact CA-O 3.28Å; A37-R55 WeakPolarHBondContact CA-O 3.44Å; A37-F56 HydrophobicContact CB-CD1 4.35Å; A37-F56 HydrophobicContact CB-CE1 4.44Å
38	K	98	Very high	91.3	Very high	103 Å²	103	97 Å²	97	45%	0.448	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122	177	-67.7	-176.4	179.2	176.3	0	109.3	V54 R55 I57	K38-V54 CarbonylContact O-C 3.47Å; K38-V54 VanDerWaalsContact O-CA 3.3Å; K38-V54 WeakPolarHBondContact O-CA 3.42Å; K38-R55 HydrophobicContact CB-CB 4.47Å; K38-R55 PolarHBondContact N-O 2.86Å; K38-R55 PolarHBondContact O-N 3.23Å; K38-I57 HydrophobicContact CD-CD1 4.03Å; K38-I57 HydrophobicContact CG-CD1 4.36Å
39	A	97.3	Very high	93	Very high	70 Å²	70	95.1 Å²	95.1	58%	0.579	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	101.2	175.5	0	0	0	0	0	109	L52 V54	A39-L52 HydrophobicContact CB-CD1 4.49Å; A39-V54 HydrophobicContact CB-CG1 4.44Å; A39-V54 HydrophobicContact CB-CG2 4.12Å
40	D	98.3	Very high	94.5	Very high	58 Å²	58	91 Å²	91	31%	0.31	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.5	-179	-64.2	-45.9	0	0	0	109.7	Y42 L52 L53 R55	D40-Y42 HydrophobicContact CB-CD2 4.48Å; D40-Y42 HydrophobicContact CB-CE1 4.47Å; D40-Y42 HydrophobicContact CB-CE2 3.74Å; D40-L52 WeakPolarHBondContact O-CA 3.44Å; D40-L53 PolarHBondContact N-O 3.48Å; D40-L53 PolarHBondContact O-N 3.05Å; D40-R55 IonicContact OD2-NE 3.95Å
41	C	98.2	Very high	95.7	Very high	37 Å²	37	88.2 Å²	88.2	25%	0.25	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	109.6	171.3	-62	0	0	0	0	108.8	F43 C105	C41-F43 HydrophobicContact CB-CD2 4.36Å; C41-F43 HydrophobicContact CB-CE1 4.47Å; C41-F43 HydrophobicContact CB-CE2 3.46Å; C41-F43 VanDerWaalsContact CB-CE2 3.46Å; C41-F43 HydrophobicContact CB-CZ 3.52Å; C41-F43 VanDerWaalsContact O-CD2 3.23Å; C41-F43 WeakPolarHBondContact O-CD2 3.33Å; C41-F43 VanDerWaalsContact O-CE2 3.24Å; C41-F43 WeakPolarHBondContact O-CE2 3.28Å; C41-C105 HydrophobicContact CB-CB 3.58Å; C41-C105 WeakPolarHBondContact CB-SG 3.25Å; C41-C105 WeakPolarHBondContact SG-CA 3.45Å; C41-C105 WeakPolarHBondContact SG-CB 3.43Å; C41-C105 CovalentContact SG-SG 2.03Å; C41-C105 PolarHBondContact SG-SG 3.35Å
42	Y	98	Very high	96.4	Very high	100 Å²	100	79.4 Å²	79.4	39%	0.392	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.7	175.5	-56.2	-80.7	0	0	0	109.9	D40 V50 H51 L53	D40-Y42 HydrophobicContact CB-CD2 4.48Å; D40-Y42 HydrophobicContact CB-CE1 4.47Å; D40-Y42 HydrophobicContact CB-CE2 3.74Å; Y42-V50 WeakPolarHBondContact O-CA 3.39Å; Y42-H51 AromaticContact CD2-ND1 3.61Å; Y42-H51 PolarHBondContact N-O 3.27Å; Y42-H51 PolarHBondContact O-N 3.49Å; Y42-L53 HydrophobicContact CE2-CB 4.03Å; Y42-L53 HydrophobicContact CE2-CD2 4.36Å
43	F	97.5	Very high	96.8	Very high	73 Å²	73	73.9 Å²	73.9	32%	0.32	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.9	-176.9	-62.7	-81.8	0	0	0	109.9	C41 G46 T47 V50 C105 Y109	C41-F43 HydrophobicContact CB-CD2 4.36Å; C41-F43 HydrophobicContact CB-CE1 4.47Å; C41-F43 HydrophobicContact CB-CE2 3.46Å; C41-F43 VanDerWaalsContact CB-CE2 3.46Å; C41-F43 HydrophobicContact CB-CZ 3.52Å; C41-F43 VanDerWaalsContact O-CD2 3.23Å; C41-F43 WeakPolarHBondContact O-CD2 3.33Å; C41-F43 VanDerWaalsContact O-CE2 3.24Å; C41-F43 WeakPolarHBondContact O-CE2 3.28Å; F43-G46 WeakPolarHBondContact CB-O 3.44Å; F43-T47 HydrophobicContact CD1-CG2 4.48Å; F43-V50 HydrophobicContact CD1-CG1 4.23Å; F43-V50 HydrophobicContact CD1-CG2 3.62Å; F43-V50 HydrophobicContact CE1-CG1 3.95Å; F43-V50 HydrophobicContact CE1-CG2 3.9Å; F43-C105 HydrophobicContact CE1-CB 4.03Å; F43-C105 HydrophobicContact CZ-CB 3.84Å; F43-C105 WeakPolarHBondContact CZ-O 3.35Å; F43-Y109 HydrophobicContact CB-CD2 4.3Å; F43-Y109 HydrophobicContact CB-CE2 4.25Å; F43-Y109 AromaticContact CD1-CD2 3.56Å; F43-Y109 HydrophobicContact CD1-CD2 3.56Å; F43-Y109 HydrophobicContact CD1-CE2 4.26Å; F43-Y109 HydrophobicContact CD1-CG 4.07Å; F43-Y109 AromaticContact CD2-CD2 3.98Å; F43-Y109 HydrophobicContact CD2-CD2 3.98Å; F43-Y109 AromaticContact CE1-CD2 3.82Å; F43-Y109 HydrophobicContact CE1-CD2 3.82Å; F43-Y109 HydrophobicContact CE1-CG 4Å; F43-Y109 HydrophobicContact CE2-CD2 4.17Å; F43-Y109 AromaticContact CG-CD2 3.67Å; F43-Y109 HydrophobicContact CG-CD2 3.67Å; F43-Y109 HydrophobicContact CG-CE2 4.12Å; F43-Y109 HydrophobicContact CZ-CD2 4.11Å; F43-Y109 HydrophobicContact CZ-CG 4.43Å
44	T	96.6	Very high	97.1	Very high	85 Å²	85	67.7 Å²	67.7	52%	0.521	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.4	172.5	-52.9	0	0	0	0	109.2	K49	T44-K49 PolarHBondContact N-O 2.9Å; T44-K49 PolarHBondContact O-N 3.3Å
45	N	95.1	Very high	97.2	Very high	126 Å²	126	68 Å²	68	67%	0.674	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	57.6	-172.8	-161.2	24.8	0	0	0	112.1	T47 E48	N45-T47 PolarHBondContact O-N 3.03Å; N45-E48 HydrophobicContact CB-CB 4.32Å; N45-E48 PolarHBondContact ND2-OE2 2.86Å; N45-E48 PolarHBondContact O-N 3.21Å
46	G	93.7	Very high	97.3	Very high	24 Å²	24	64.2 Å²	64.2	25%	0.247	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	-114.9	-176.8	0	0	0	0	0	112.7	F43 Y109	F43-G46 WeakPolarHBondContact CB-O 3.44Å; G46-Y109 WeakPolarHBondContact CA-OH 3.38Å
47	T	96.3	Very high	97.4	Very high	48 Å²	48	61.2 Å²	61.2	29%	0.294	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	34.8	176.3	65.2	0	0	0	0	111.3	F43 N45 R106 Y109	F43-T47 HydrophobicContact CD1-CG2 4.48Å; N45-T47 PolarHBondContact O-N 3.03Å; T47-R106 PolarHBondContact O-NH1 2.02Å; T47-Y109 HydrophobicContact CG2-CD1 3.26Å; T47-Y109 HydrophobicContact CG2-CD2 4.38Å; T47-Y109 HydrophobicContact CG2-CE1 3.85Å; T47-Y109 HydrophobicContact CG2-CG 3.58Å
48	E	94.5	Very high	97.4	Very high	137 Å²	137	61.4 Å²	61.4	64%	0.64	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-67.2	168.9	-171.2	176.8	-172.8	0	0	109	N45 R106	N45-E48 HydrophobicContact CB-CB 4.32Å; N45-E48 PolarHBondContact ND2-OE2 2.86Å; N45-E48 PolarHBondContact O-N 3.21Å; E48-R106 PolarHBondContact O-NH2 3.45Å; E48-R106 VanDerWaalsContact O-NH2 3.11Å
49	K	97.1	Very high	97.2	Very high	126 Å²	126	59.5 Å²	59.5	55%	0.548	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.2	176.2	-176.4	176.5	-178	-179.2	0	110.3	T44	T44-K49 PolarHBondContact N-O 2.9Å; T44-K49 PolarHBondContact O-N 3.3Å
50	V	98.3	Very high	97.1	Very high	11 Å²	11	64.5 Å²	64.5	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	121.6	178.8	179.6	0	0	0	0	108.7	Y42 F43 V101 C105 R106	Y42-V50 WeakPolarHBondContact O-CA 3.39Å; F43-V50 HydrophobicContact CD1-CG1 4.23Å; F43-V50 HydrophobicContact CD1-CG2 3.62Å; F43-V50 HydrophobicContact CE1-CG1 3.95Å; F43-V50 HydrophobicContact CE1-CG2 3.9Å; V50-V101 HydrophobicContact CB-CG1 4.08Å; V50-V101 HydrophobicContact CG1-CG1 3.93Å; V50-C105 HydrophobicContact CG1-CB 3.56Å; V50-R106 HydrophobicContact CG2-CG 4.07Å
51	H	98.3	Very high	97.1	Very high	36 Å²	36	66.8 Å²	66.8	17%	0.167	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.8	175.9	175.1	-128.2	0	0	0	108.5	Y42 D67 S68 D69	Y42-H51 AromaticContact CD2-ND1 3.61Å; Y42-H51 PolarHBondContact N-O 3.27Å; Y42-H51 PolarHBondContact O-N 3.49Å; H51-D67 IonicContact CD2-OD1 2.72Å; H51-D67 IonicContact CE1-OD1 3.93Å; H51-D67 IonicContact CE1-OD2 3.34Å; H51-D67 VanDerWaalsContact NE2-CG 3.35Å; H51-D67 IonicContact NE2-OD1 2.68Å; H51-D67 PolarHBondContact NE2-OD1 3.13Å; H51-D67 IonicContact NE2-OD2 3.85Å; H51-D67 PolarHBondContact NE2-OD2 3.37Å; H51-S68 PolarHBondContact CD2-OG 2.75Å; H51-S68 VanDerWaalsContact CD2-OG 3.29Å; H51-D69 VanDerWaalsContact CD2-CG 3.47Å; H51-D69 IonicContact CD2-OD1 3.87Å; H51-D69 PolarHBondContact CD2-OD1 3.35Å; H51-D69 IonicContact CD2-OD2 2.96Å
52	L	98.6	Very high	97	Very high	7 Å²	7	66.8 Å²	66.8	4%	0.037	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.8	172.7	171.4	63.6	0	0	0	109.3	A39 D40 V54 S68 A100 V101	A39-L52 HydrophobicContact CB-CD1 4.49Å; D40-L52 WeakPolarHBondContact O-CA 3.44Å; L52-V54 HydrophobicContact CD1-CG2 3.92Å; L52-V54 HydrophobicContact CD2-CG2 4.34Å; L52-V54 HydrophobicContact CG-CG2 4.07Å; L52-S68 PolarHBondContact N-OG 2.97Å; L52-S68 WeakPolarHBondContact O-CB 3.28Å; L52-S68 PolarHBondContact O-N 3.43Å; L52-S68 PolarHBondContact O-OG 2.8Å; L52-A100 HydrophobicContact CD2-CB 3.61Å; L52-V101 HydrophobicContact CB-CG2 3.84Å; L52-V101 HydrophobicContact CD2-CG2 4.31Å
53	L	98.5	Very high	97.1	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.063	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.4	173	-172.2	67.8	0	0	0	109.2	D40 Y42 R55 H65 F66 D67	D40-L53 PolarHBondContact N-O 3.48Å; D40-L53 PolarHBondContact O-N 3.05Å; Y42-L53 HydrophobicContact CE2-CB 4.03Å; Y42-L53 HydrophobicContact CE2-CD2 4.36Å; L53-R55 HydrophobicContact CD2-CG 4.16Å; L53-R55 VanDerWaalsContact CD2-CZ 3.49Å; L53-R55 HydrophobicContact CG-CG 4.07Å; L53-H65 HydrophobicContact CD1-CB 4.1Å; L53-F66 WeakPolarHBondContact CA-O 3.31Å; L53-D67 HydrophobicContact CD1-CB 4.17Å
54	V	98.4	Very high	97.1	Very high	30 Å²	30	59.8 Å²	59.8	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	103.9	176.6	-172.1	0	0	0	0	109.2	K38 A39 L52 F56 H65 F66	K38-V54 CarbonylContact O-C 3.47Å; K38-V54 VanDerWaalsContact O-CA 3.3Å; K38-V54 WeakPolarHBondContact O-CA 3.42Å; A39-V54 HydrophobicContact CB-CG1 4.44Å; A39-V54 HydrophobicContact CB-CG2 4.12Å; L52-V54 HydrophobicContact CD1-CG2 3.92Å; L52-V54 HydrophobicContact CD2-CG2 4.34Å; L52-V54 HydrophobicContact CG-CG2 4.07Å; V54-F56 HydrophobicContact CB-CE2 4.41Å; V54-F56 HydrophobicContact CG1-CE2 3.83Å; V54-F56 HydrophobicContact CG1-CZ 3.93Å; V54-H65 CarbonylContact O-C 3.41Å; V54-H65 WeakPolarHBondContact O-CA 3.3Å; V54-H65 VanDerWaalsContact O-CB 3.25Å; V54-H65 WeakPolarHBondContact O-CB 3.44Å; V54-F66 HydrophobicContact CB-CB 4.1Å; V54-F66 HydrophobicContact CG2-CB 4.49Å; V54-F66 PolarHBondContact N-O 3.37Å; V54-F66 PolarHBondContact O-N 3.34Å
55	R	98.6	Very high	97.2	Very high	75 Å²	75	56.9 Å²	56.9	28%	0.283	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.9	-177.8	-55.9	176	-176.8	-112.4	-0.2	110.9	A37 K38 D40 L53 I57 E62 H65	A37-R55 CarbonylContact C-O 3.57Å; A37-R55 VanDerWaalsContact CA-O 3.28Å; A37-R55 WeakPolarHBondContact CA-O 3.44Å; K38-R55 HydrophobicContact CB-CB 4.47Å; K38-R55 PolarHBondContact N-O 2.86Å; K38-R55 PolarHBondContact O-N 3.23Å; D40-R55 IonicContact OD2-NE 3.95Å; L53-R55 HydrophobicContact CD2-CG 4.16Å; L53-R55 VanDerWaalsContact CD2-CZ 3.49Å; L53-R55 HydrophobicContact CG-CG 4.07Å; R55-I57 HydrophobicContact CB-CD1 4.47Å; R55-I57 HydrophobicContact CB-CG1 4.39Å; R55-E62 HydrophobicContact CB-CG 4.13Å; R55-E62 WeakPolarHBondContact CD-OE2 3.46Å; R55-E62 IonicContact CZ-OE2 3.15Å; R55-E62 IonicContact NE-OE2 3.35Å; R55-E62 IonicContact NH1-OE1 3.35Å; R55-E62 IonicContact NH1-OE2 3.47Å; R55-E62 PolarHBondContact NH1-OE2 3.42Å; R55-H65 HydrophobicContact CG-CB 4.4Å
56	F	98.3	Very high	97.4	Very high	40 Å²	40	50.9 Å²	50.9	18%	0.175	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.5	171.4	-60.6	-95.8	0	0	0	108.5	A37 V54 E62 Y63 L64 F73 W87	A37-F56 HydrophobicContact CB-CD1 4.35Å; A37-F56 HydrophobicContact CB-CE1 4.44Å; V54-F56 HydrophobicContact CB-CE2 4.41Å; V54-F56 HydrophobicContact CG1-CE2 3.83Å; V54-F56 HydrophobicContact CG1-CZ 3.93Å; F56-E62 WeakPolarHBondContact O-CA 3.36Å; F56-Y63 HydrophobicContact CB-CD1 4.32Å; F56-Y63 HydrophobicContact CB-CE1 3.61Å; F56-Y63 HydrophobicContact CB-CE2 4.48Å; F56-Y63 VanDerWaalsContact O-CD1 3.23Å; F56-Y63 WeakPolarHBondContact O-CD1 3.35Å; F56-Y63 PolarHBondContact O-N 2.81Å; F56-L64 HydrophobicContact CB-CD2 4.47Å; F56-L64 HydrophobicContact CD2-CD2 3.34Å; F56-L64 HydrophobicContact CE2-CD2 3.79Å; F56-L64 HydrophobicContact CG-CD2 4.11Å; F56-L64 PolarHBondContact N-O 2.93Å; F56-F73 HydrophobicContact CE2-CD1 4.44Å; F56-F73 HydrophobicContact CE2-CE1 4.15Å; F56-W87 HydrophobicContact CD1-CH2 4.07Å; F56-W87 HydrophobicContact CD1-CZ3 4.28Å; F56-W87 HydrophobicContact CD2-CZ3 4.06Å; F56-W87 AromaticContact CE1-CH2 3.84Å; F56-W87 HydrophobicContact CE1-CH2 3.84Å; F56-W87 AromaticContact CE1-CZ3 3.9Å; F56-W87 HydrophobicContact CE1-CZ3 3.9Å; F56-W87 HydrophobicContact CE2-CH2 4.39Å; F56-W87 AromaticContact CE2-CZ3 3.66Å; F56-W87 HydrophobicContact CE2-CZ3 3.66Å; F56-W87 HydrophobicContact CG-CH2 4.44Å; F56-W87 HydrophobicContact CG-CZ3 4.35Å; F56-W87 HydrophobicContact CZ-CH2 4Å; F56-W87 AromaticContact CZ-CZ3 3.56Å; F56-W87 HydrophobicContact CZ-CZ3 3.56Å
57	I	98.4	Very high	97.6	Very high	16 Å²	16	51 Å²	51	8%	0.082	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.7	-168.3	-55.2	165.1	0	0	0	108.4	I35 Q36 K38 R55 E61 E62	I35-I57 WeakPolarHBondContact CA-O 3.15Å; Q36-I57 HydrophobicContact CB-CB 4.22Å; Q36-I57 PolarHBondContact N-O 3.29Å; Q36-I57 PolarHBondContact O-N 3.12Å; K38-I57 HydrophobicContact CD-CD1 4.03Å; K38-I57 HydrophobicContact CG-CD1 4.36Å; R55-I57 HydrophobicContact CB-CD1 4.47Å; R55-I57 HydrophobicContact CB-CG1 4.39Å; I57-E61 CarbonylContact C-O 3.57Å; I57-E61 WeakPolarHBondContact CA-O 3.45Å; I57-E62 HydrophobicContact CG1-CB 4.15Å; I57-E62 HydrophobicContact CG1-CG 4.29Å
58	F	97.1	Very high	97.7	Very high	76 Å²	76	49.9 Å²	49.9	33%	0.333	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.6	172.3	-175	-107	0	0	0	108.7	I35 L60 E61 Y63 L79	I35-F58 HydrophobicContact CG1-CD2 3.95Å; I35-F58 HydrophobicContact CG1-CE2 4.27Å; F58-L60 PolarHBondContact O-N 3.29Å; F58-E61 PolarHBondContact N-O 2.89Å; F58-E61 PolarHBondContact O-N 3.04Å; F58-Y63 HydrophobicContact CB-CD1 3.95Å; F58-Y63 HydrophobicContact CB-CE1 4.31Å; F58-L79 HydrophobicContact CB-CD2 4.21Å; F58-L79 HydrophobicContact CD1-CD2 4.23Å; F58-L79 HydrophobicContact CG-CD2 4.35Å
59	N	94.9	Very high	97.8	Very high	63 Å²	63	48.5 Å²	48.5	34%	0.337	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-96.6	-168.5	-60	-37.9	0	0	0	112	F33 V34	F33-N59 WeakPolarHBondContact CA-OD1 3.29Å; V34-N59 PolarHBondContact N-OD1 3.17Å; V34-N59 PolarHBondContact O-N 2.92Å
60	L	94.6	Very high	97.9	Very high	174 Å²	174	47.7 Å²	47.7	91%	0.911	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.8	3	178.5	-60.2	177.1	0	0	0	112.4	F58	F58-L60 PolarHBondContact O-N 3.29Å
61	E	97.3	Very high	97.9	Very high	106 Å²	106	47.5 Å²	47.5	50%	0.495	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.3	-175	-173.6	171.5	-154.8	0	0	110.1	I57 F58 Y63 T77	I57-E61 CarbonylContact C-O 3.57Å; I57-E61 WeakPolarHBondContact CA-O 3.45Å; F58-E61 PolarHBondContact N-O 2.89Å; F58-E61 PolarHBondContact O-N 3.04Å; E61-Y63 PolarHBondContact O-N 3.34Å; E61-T77 HydrophobicContact CG-CG2 4.05Å; E61-T77 VanDerWaalsContact OE1-CG2 3.31Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.32Å
62	E	98	Very high	97.9	Very high	38 Å²	38	49.7 Å²	49.7	18%	0.178	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	113	167.2	-172.4	-174.6	152.4	0	0	108.4	R55 F56 I57 H65 L76	R55-E62 HydrophobicContact CB-CG 4.13Å; R55-E62 WeakPolarHBondContact CD-OE2 3.46Å; R55-E62 IonicContact CZ-OE2 3.15Å; R55-E62 IonicContact NE-OE2 3.35Å; R55-E62 IonicContact NH1-OE1 3.35Å; R55-E62 IonicContact NH1-OE2 3.47Å; R55-E62 PolarHBondContact NH1-OE2 3.42Å; F56-E62 WeakPolarHBondContact O-CA 3.36Å; I57-E62 HydrophobicContact CG1-CB 4.15Å; I57-E62 HydrophobicContact CG1-CG 4.29Å; E62-H65 IonicContact OE1-CG 2.77Å; E62-H65 IonicContact OE1-ND1 2.71Å; E62-H65 PolarHBondContact OE1-ND1 3.44Å; E62-L76 HydrophobicContact CB-CD1 4.13Å; E62-L76 HydrophobicContact CG-CD1 3.71Å; E62-L76 WeakPolarHBondContact OE1-CD1 3.3Å
63	Y	98.3	Very high	97.9	Very high	26 Å²	26	49.7 Å²	49.7	10%	0.102	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-23.4	-172.9	72.2	-90.6	0	0	0	112.4	F56 F58 E61 L76 T77 L79 D83	F56-Y63 HydrophobicContact CB-CD1 4.32Å; F56-Y63 HydrophobicContact CB-CE1 3.61Å; F56-Y63 HydrophobicContact CB-CE2 4.48Å; F56-Y63 VanDerWaalsContact O-CD1 3.23Å; F56-Y63 WeakPolarHBondContact O-CD1 3.35Å; F56-Y63 PolarHBondContact O-N 2.81Å; F58-Y63 HydrophobicContact CB-CD1 3.95Å; F58-Y63 HydrophobicContact CB-CE1 4.31Å; E61-Y63 PolarHBondContact O-N 3.34Å; Y63-L76 PolarHBondContact O-N 3.49Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.34Å; Y63-T77 PolarHBondContact O-N 2.83Å; Y63-L79 HydrophobicContact CD2-CG 4.34Å; Y63-L79 HydrophobicContact CG-CD2 4.21Å; Y63-L79 HydrophobicContact CG-CG 4.43Å; Y63-D83 WeakPolarHBondContact CE2-OD2 3.29Å
64	L	98.3	Very high	97.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	148.9	-179.2	175.3	151.6	0	0	0	110.4	F56 F73 V74 G80 D83 A84 W87	F56-L64 HydrophobicContact CB-CD2 4.47Å; F56-L64 HydrophobicContact CD2-CD2 3.34Å; F56-L64 HydrophobicContact CE2-CD2 3.79Å; F56-L64 HydrophobicContact CG-CD2 4.11Å; F56-L64 PolarHBondContact N-O 2.93Å; L64-F73 HydrophobicContact CD2-CB 4.38Å; L64-F73 HydrophobicContact CD2-CD1 3.81Å; L64-V74 WeakPolarHBondContact CA-O 3.33Å; L64-G80 WeakPolarHBondContact CD1-O 3.43Å; L64-D83 HydrophobicContact CD1-CB 3.63Å; L64-A84 HydrophobicContact CD1-CB 3.7Å; L64-A84 VanDerWaalsContact CD1-N 3.27Å; L64-W87 HydrophobicContact CD1-CE3 4.45Å; L64-W87 HydrophobicContact CD2-CE3 3.96Å; L64-W87 HydrophobicContact CD2-CH2 4.48Å; L64-W87 HydrophobicContact CD2-CZ3 3.57Å
65	H	98.6	Very high	97.9	Very high	23 Å²	23	51.3 Å²	51.3	11%	0.106	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.4	165.8	60.5	-116.8	0	0	0	113.4	L53 V54 R55 E62 F73 V74	L53-H65 HydrophobicContact CD1-CB 4.1Å; V54-H65 CarbonylContact O-C 3.41Å; V54-H65 WeakPolarHBondContact O-CA 3.3Å; V54-H65 VanDerWaalsContact O-CB 3.25Å; V54-H65 WeakPolarHBondContact O-CB 3.44Å; R55-H65 HydrophobicContact CG-CB 4.4Å; E62-H65 IonicContact OE1-CG 2.77Å; E62-H65 IonicContact OE1-ND1 2.71Å; E62-H65 PolarHBondContact OE1-ND1 3.44Å; H65-F73 CarbonylContact O-C 3.47Å; H65-F73 VanDerWaalsContact O-CA 3.25Å; H65-F73 WeakPolarHBondContact O-CA 3.36Å; H65-V74 PolarHBondContact N-O 2.86Å; H65-V74 PolarHBondContact O-N 3.44Å
66	F	98.7	Very high	97.8	Very high	1 Å²	1	52 Å²	52	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.9	159.7	177.3	-99.1	0	0	0	109.5	L53 V54 F73 L94 S97 R98	L53-F66 WeakPolarHBondContact CA-O 3.31Å; V54-F66 HydrophobicContact CB-CB 4.1Å; V54-F66 HydrophobicContact CG2-CB 4.49Å; V54-F66 PolarHBondContact N-O 3.37Å; V54-F66 PolarHBondContact O-N 3.34Å; F66-F73 HydrophobicContact CB-CD1 3.64Å; F66-F73 HydrophobicContact CB-CE1 3.64Å; F66-F73 HydrophobicContact CB-CG 4.39Å; F66-F73 HydrophobicContact CB-CZ 4.34Å; F66-F73 HydrophobicContact CD2-CD1 4.23Å; F66-F73 HydrophobicContact CD2-CD2 4.18Å; F66-F73 HydrophobicContact CD2-CE1 4.2Å; F66-F73 HydrophobicContact CD2-CE2 4.11Å; F66-F73 HydrophobicContact CD2-CG 4.26Å; F66-F73 HydrophobicContact CD2-CZ 4.14Å; F66-F73 HydrophobicContact CG-CD1 4.43Å; F66-F73 HydrophobicContact CG-CE1 4.29Å; F66-L94 HydrophobicContact CE2-CD2 4.37Å; F66-S97 WeakPolarHBondContact CE1-O 3.37Å; F66-S97 VanDerWaalsContact CE2-CB 3.44Å; F66-S97 VanDerWaalsContact CZ-CB 3.49Å; F66-R98 HydrophobicContact CE2-CG 4.45Å; F66-R98 HydrophobicContact CZ-CG 3.97Å
67	D	98.6	Very high	97.8	Very high	26 Å²	26	51.5 Å²	51.5	14%	0.139	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.9	173.1	-168.5	-41.8	0	0	0	109.7	H51 L53 D69 L70 G71 M72	H51-D67 IonicContact CD2-OD1 2.72Å; H51-D67 IonicContact CE1-OD1 3.93Å; H51-D67 IonicContact CE1-OD2 3.34Å; H51-D67 VanDerWaalsContact NE2-CG 3.35Å; H51-D67 IonicContact NE2-OD1 2.68Å; H51-D67 PolarHBondContact NE2-OD1 3.13Å; H51-D67 IonicContact NE2-OD2 3.85Å; H51-D67 PolarHBondContact NE2-OD2 3.37Å; L53-D67 HydrophobicContact CD1-CB 4.17Å; D67-D69 VanDerWaalsContact C-N 3.34Å; D67-D69 PolarHBondContact O-N 2.78Å; D67-D69 WeakPolarHBondContact OD1-CB 3.31Å; D67-D69 PolarHBondContact OD1-N 3.46Å; D67-L70 HydrophobicContact CB-CB 4.23Å; D67-L70 HydrophobicContact CB-CD1 4.1Å; D67-L70 HydrophobicContact CB-CG 4.16Å; D67-L70 CarbonylContact O-C 3.6Å; D67-L70 PolarHBondContact O-N 2.85Å; D67-G71 WeakPolarHBondContact O-CA 3.32Å; D67-G71 PolarHBondContact O-N 2.98Å; D67-M72 PolarHBondContact N-O 3.37Å; D67-M72 VanDerWaalsContact N-O 3.13Å; D67-M72 PolarHBondContact O-N 2.99Å
68	S	98.3	Very high	97.7	Very high	25 Å²	25	58.9 Å²	58.9	18%	0.175	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-25.3	179.4	63.6	0	0	0	0	115.2	H51 L52 L70 G71	H51-S68 PolarHBondContact CD2-OG 2.75Å; H51-S68 VanDerWaalsContact CD2-OG 3.29Å; L52-S68 PolarHBondContact N-OG 2.97Å; L52-S68 WeakPolarHBondContact O-CB 3.28Å; L52-S68 PolarHBondContact O-N 3.43Å; L52-S68 PolarHBondContact O-OG 2.8Å; S68-L70 VanDerWaalsContact C-N 3.3Å; S68-G71 PolarHBondContact O-N 2.94Å
69	D	97.8	Very high	97.7	Very high	108 Å²	108	59.7 Å²	59.7	58%	0.578	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-31.7	176.1	-75.8	-4.5	0	0	0	110.3	H51 D67	H51-D69 VanDerWaalsContact CD2-CG 3.47Å; H51-D69 IonicContact CD2-OD1 3.87Å; H51-D69 PolarHBondContact CD2-OD1 3.35Å; H51-D69 IonicContact CD2-OD2 2.96Å; D67-D69 VanDerWaalsContact C-N 3.34Å; D67-D69 PolarHBondContact O-N 2.78Å; D67-D69 WeakPolarHBondContact OD1-CB 3.31Å; D67-D69 PolarHBondContact OD1-N 3.46Å
70	L	98.1	Very high	97.8	Very high	108 Å²	108	56.7 Å²	56.7	57%	0.565	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-25.4	171.7	-57.8	178.8	0	0	0	112.4	D67 S68 M72 V74	D67-L70 HydrophobicContact CB-CB 4.23Å; D67-L70 HydrophobicContact CB-CD1 4.1Å; D67-L70 HydrophobicContact CB-CG 4.16Å; D67-L70 CarbonylContact O-C 3.6Å; D67-L70 PolarHBondContact O-N 2.85Å; S68-L70 VanDerWaalsContact C-N 3.3Å; L70-M72 VanDerWaalsContact C-N 3.29Å; L70-M72 HydrophobicContact CB-CG 4.07Å; L70-M72 PolarHBondContact O-N 2.72Å; L70-V74 HydrophobicContact CD1-CG2 3.65Å
71	G	97.8	Very high	98	Very high	8 Å²	8	53.9 Å²	53.9	8%	0.082	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	25.8	-176.8	0	0	0	0	0	113.6	D67 S68 R98	D67-G71 WeakPolarHBondContact O-CA 3.32Å; D67-G71 PolarHBondContact O-N 2.98Å; S68-G71 PolarHBondContact O-N 2.94Å; G71-R98 VanDerWaalsContact O-CZ 3.25Å; G71-R98 PolarHBondContact O-NE 3.41Å; G71-R98 PolarHBondContact O-NH2 2.72Å
72	M	98.4	Very high	98.1	Very high	82 Å²	82	52.8 Å²	52.8	40%	0.404	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	167.2	-177.2	64.1	-176	-70.2	0	0	112.5	D67 L70 N88 L94	D67-M72 PolarHBondContact N-O 3.37Å; D67-M72 VanDerWaalsContact N-O 3.13Å; D67-M72 PolarHBondContact O-N 2.99Å; L70-M72 VanDerWaalsContact C-N 3.29Å; L70-M72 HydrophobicContact CB-CG 4.07Å; L70-M72 PolarHBondContact O-N 2.72Å; M72-N88 WeakPolarHBondContact CB-OD1 3.35Å; M72-N88 WeakPolarHBondContact CE-ND2 3.36Å; M72-L94 HydrophobicContact CB-CD2 4.24Å
73	F	98.6	Very high	98	Very high	6 Å²	6	53 Å²	53	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136.7	172.7	-61.1	-88.7	0	0	0	110.3	F56 L64 H65 F66 W87 N88 L93 L94 S97	F56-F73 HydrophobicContact CE2-CD1 4.44Å; F56-F73 HydrophobicContact CE2-CE1 4.15Å; L64-F73 HydrophobicContact CD2-CB 4.38Å; L64-F73 HydrophobicContact CD2-CD1 3.81Å; H65-F73 CarbonylContact O-C 3.47Å; H65-F73 VanDerWaalsContact O-CA 3.25Å; H65-F73 WeakPolarHBondContact O-CA 3.36Å; F66-F73 HydrophobicContact CB-CD1 3.64Å; F66-F73 HydrophobicContact CB-CE1 3.64Å; F66-F73 HydrophobicContact CB-CG 4.39Å; F66-F73 HydrophobicContact CB-CZ 4.34Å; F66-F73 HydrophobicContact CD2-CD1 4.23Å; F66-F73 HydrophobicContact CD2-CD2 4.18Å; F66-F73 HydrophobicContact CD2-CE1 4.2Å; F66-F73 HydrophobicContact CD2-CE2 4.11Å; F66-F73 HydrophobicContact CD2-CG 4.26Å; F66-F73 HydrophobicContact CD2-CZ 4.14Å; F66-F73 HydrophobicContact CG-CD1 4.43Å; F66-F73 HydrophobicContact CG-CE1 4.29Å; F73-W87 AromaticContact CD1-CE3 3.56Å; F73-W87 HydrophobicContact CD1-CE3 3.56Å; F73-W87 HydrophobicContact CD1-CZ3 4.11Å; F73-W87 HydrophobicContact CD2-CB 3.75Å; F73-W87 HydrophobicContact CD2-CE3 4.48Å; F73-W87 AromaticContact CE1-CE3 3.5Å; F73-W87 HydrophobicContact CE1-CE3 3.5Å; F73-W87 AromaticContact CE1-CZ3 3.96Å; F73-W87 HydrophobicContact CE1-CZ3 3.96Å; F73-W87 HydrophobicContact CE2-CB 3.98Å; F73-W87 HydrophobicContact CE2-CE3 4.47Å; F73-W87 HydrophobicContact CG-CB 4.16Å; F73-W87 HydrophobicContact CG-CE3 4.05Å; F73-W87 AromaticContact CZ-CE3 3.99Å; F73-W87 HydrophobicContact CZ-CE3 3.99Å; F73-N88 PolarHBondContact N-OD1 2.98Å; F73-N88 PolarHBondContact O-ND2 3.06Å; F73-L93 HydrophobicContact CE2-CD2 3.83Å; F73-L93 HydrophobicContact CE2-CG 3.83Å; F73-L93 HydrophobicContact CZ-CD1 4.29Å; F73-L93 HydrophobicContact CZ-CD2 3.85Å; F73-L93 HydrophobicContact CZ-CG 3.82Å; F73-L94 HydrophobicContact CD2-CD2 3.82Å; F73-L94 HydrophobicContact CE2-CD2 3.95Å; F73-S97 WeakPolarHBondContact CZ-OG 3.01Å
74	V	98.6	Very high	98	Very high	43 Å²	43	52 Å²	52	26%	0.261	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.5	-178.4	-177.2	0	0	0	0	107.9	L64 H65 L70	L64-V74 WeakPolarHBondContact CA-O 3.33Å; H65-V74 PolarHBondContact N-O 2.86Å; H65-V74 PolarHBondContact O-N 3.44Å; L70-V74 HydrophobicContact CD1-CG2 3.65Å
75	A	98.4	Very high	98	Very high	33 Å²	33	56.7 Å²	56.7	27%	0.273	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	135.5	170.4	0	0	0	0	0	109.6	G80 E81 A84	A75-G80 VanDerWaalsContact CB-C 3.46Å; A75-E81 HydrophobicContact CB-CG 4.05Å; A75-A84 HydrophobicContact CB-CB 3.91Å
76	L	97.9	Very high	98	Very high	89 Å²	89	60.9 Å²	60.9	47%	0.466	33%	0.326	S	S	.	.	S	Bend	trans	-100.8	-21.6	173.8	-65.7	-175.5	0	0	0	112.3	E62 Y63	E62-L76 HydrophobicContact CB-CD1 4.13Å; E62-L76 HydrophobicContact CG-CD1 3.71Å; E62-L76 WeakPolarHBondContact OE1-CD1 3.3Å; Y63-L76 PolarHBondContact O-N 3.49Å
77	T	97.4	Very high	97.9	Very high	30 Å²	30	63 Å²	63	18%	0.184	33%	0.333	C	S	.	.	S	Bend	trans	-140.3	163.6	-176.9	74.6	0	0	0	0	109.8	E61 Y63 L79 G80 E81	E61-T77 HydrophobicContact CG-CG2 4.05Å; E61-T77 VanDerWaalsContact OE1-CG2 3.31Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.32Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.34Å; Y63-T77 PolarHBondContact O-N 2.83Å; T77-L79 PolarHBondContact O-N 3.37Å; T77-L79 VanDerWaalsContact O-N 3.13Å; T77-G80 PolarHBondContact O-N 3.16Å; T77-E81 PolarHBondContact O-N 3.15Å
78	E	97.3	Very high	97.9	Very high	171 Å²	171	63.4 Å²	63.4	80%	0.799	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-55.9	-30.3	177.7	-64.3	-178	179.2	0	0	112.3	G80 E81 P82	E78-G80 PolarHBondContact O-N 3.46Å; E78-E81 PolarHBondContact O-N 3.36Å; E78-P82 WeakPolarHBondContact O-CD 3.39Å
79	L	96.1	Very high	97.9	Very high	94 Å²	94	69.8 Å²	69.8	49%	0.492	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-62.3	-32.7	176.1	-177.4	64.7	0	0	0	112.2	F58 Y63 T77	F58-L79 HydrophobicContact CB-CD2 4.21Å; F58-L79 HydrophobicContact CD1-CD2 4.23Å; F58-L79 HydrophobicContact CG-CD2 4.35Å; Y63-L79 HydrophobicContact CD2-CG 4.34Å; Y63-L79 HydrophobicContact CG-CD2 4.21Å; Y63-L79 HydrophobicContact CG-CG 4.43Å; T77-L79 PolarHBondContact O-N 3.37Å; T77-L79 VanDerWaalsContact O-N 3.13Å
80	G	97.9	Very high	97.9	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-88.8	-14.5	-178	0	0	0	0	0	115.5	L64 A75 T77 E78 D83 A84	L64-G80 WeakPolarHBondContact CD1-O 3.43Å; A75-G80 VanDerWaalsContact CB-C 3.46Å; T77-G80 PolarHBondContact O-N 3.16Å; E78-G80 PolarHBondContact O-N 3.46Å; G80-D83 PolarHBondContact O-N 3.36Å; G80-A84 WeakPolarHBondContact O-CB 3.46Å; G80-A84 PolarHBondContact O-N 3.43Å
81	E	98.3	Very high	97.8	Very high	115 Å²	115	70.3 Å²	70.3	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-57.4	-46.5	-178.5	-64.2	-176.3	171	0	0	113	A75 T77 E78 D83 A84 D85	A75-E81 HydrophobicContact CB-CG 4.05Å; T77-E81 PolarHBondContact O-N 3.15Å; E78-E81 PolarHBondContact O-N 3.36Å; E81-D83 VanDerWaalsContact C-N 3.32Å; E81-D83 PolarHBondContact O-N 3.48Å; E81-A84 PolarHBondContact O-N 3.36Å; E81-D85 WeakPolarHBondContact O-CB 3.45Å; E81-D85 PolarHBondContact O-N 2.83Å
82	P	98.3	Very high	97.8	Very high	82 Å²	82	74.8 Å²	74.8	53%	0.532	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-41	179.9	-21.9	34.2	0	0	0	112.5	E78 Q86	E78-P82 WeakPolarHBondContact O-CD 3.39Å; P82-Q86 VanDerWaalsContact O-CB 3.3Å; P82-Q86 WeakPolarHBondContact O-CB 3.41Å; P82-Q86 PolarHBondContact O-N 2.82Å
83	D	97.7	Very high	97.7	Very high	42 Å²	42	72.9 Å²	72.9	23%	0.225	37%	0.368	C	S	.	.	H	α-helix	trans	-69	-46.7	179.6	-77.8	-16.5	0	0	0	110.9	Y63 L64 G80 E81 D85 Q86 W87	Y63-D83 WeakPolarHBondContact CE2-OD2 3.29Å; L64-D83 HydrophobicContact CD1-CB 3.63Å; G80-D83 PolarHBondContact O-N 3.36Å; E81-D83 VanDerWaalsContact C-N 3.32Å; E81-D83 PolarHBondContact O-N 3.48Å; D83-D85 PolarHBondContact O-N 2.84Å; D83-Q86 PolarHBondContact O-N 2.85Å; D83-W87 HydrophobicContact CB-CD2 4.44Å; D83-W87 HydrophobicContact CB-CZ2 4.24Å; D83-W87 WeakPolarHBondContact O-CB 3.44Å; D83-W87 VanDerWaalsContact O-CD1 3.25Å; D83-W87 PolarHBondContact O-N 2.85Å
84	A	98.2	Very high	97.6	Very high	6 Å²	6	73 Å²	73	5%	0.05	37%	0.369	C	S	.	.	H	α-helix	trans	-60	-46.6	178.3	0	0	0	0	0	111.1	L64 A75 G80 E81 Q86 W87 N88	L64-A84 HydrophobicContact CD1-CB 3.7Å; L64-A84 VanDerWaalsContact CD1-N 3.27Å; A75-A84 HydrophobicContact CB-CB 3.91Å; G80-A84 WeakPolarHBondContact O-CB 3.46Å; G80-A84 PolarHBondContact O-N 3.43Å; E81-A84 PolarHBondContact O-N 3.36Å; A84-Q86 VanDerWaalsContact C-N 3.34Å; A84-Q86 PolarHBondContact O-N 3.29Å; A84-W87 PolarHBondContact O-N 3.47Å; A84-N88 WeakPolarHBondContact O-CB 3.47Å; A84-N88 PolarHBondContact O-N 2.89Å; A84-N88 PolarHBondContact O-ND2 2.78Å
85	D	97.7	Very high	97.5	Very high	99 Å²	99	76.7 Å²	76.7	53%	0.529	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-43.1	177.5	-92.3	5.1	0	0	0	112.4	E81 D83 K89	E81-D85 WeakPolarHBondContact O-CB 3.45Å; E81-D85 PolarHBondContact O-N 2.83Å; D83-D85 PolarHBondContact O-N 2.84Å; D85-K89 WeakPolarHBondContact O-CD 3.44Å; D85-K89 WeakPolarHBondContact O-CE 3.34Å; D85-K89 VanDerWaalsContact O-CG 3.25Å; D85-K89 WeakPolarHBondContact O-CG 3.49Å
86	Q	97.8	Very high	97.5	Very high	111 Å²	111	79.8 Å²	79.8	52%	0.519	40%	0.399	S	S	.	.	H	α-helix	trans	-71.1	-46.4	179.9	-174.5	-179.3	14.4	0	0	111.5	P82 D83 A84 K89 R90	P82-Q86 VanDerWaalsContact O-CB 3.3Å; P82-Q86 WeakPolarHBondContact O-CB 3.41Å; P82-Q86 PolarHBondContact O-N 2.82Å; D83-Q86 PolarHBondContact O-N 2.85Å; A84-Q86 VanDerWaalsContact C-N 3.34Å; A84-Q86 PolarHBondContact O-N 3.29Å; Q86-K89 PolarHBondContact O-N 3.46Å; Q86-R90 PolarHBondContact O-N 3.1Å
87	W	98.1	Very high	97.4	Very high	44 Å²	44	76.5 Å²	76.5	17%	0.167	38%	0.384	C	S	.	.	H	α-helix	trans	-72.4	-34.1	-173.3	-66.8	10.1	0	0	0	111.6	F56 L64 F73 D83 A84 K89 R90 L93	F56-W87 HydrophobicContact CD1-CH2 4.07Å; F56-W87 HydrophobicContact CD1-CZ3 4.28Å; F56-W87 HydrophobicContact CD2-CZ3 4.06Å; F56-W87 AromaticContact CE1-CH2 3.84Å; F56-W87 HydrophobicContact CE1-CH2 3.84Å; F56-W87 AromaticContact CE1-CZ3 3.9Å; F56-W87 HydrophobicContact CE1-CZ3 3.9Å; F56-W87 HydrophobicContact CE2-CH2 4.39Å; F56-W87 AromaticContact CE2-CZ3 3.66Å; F56-W87 HydrophobicContact CE2-CZ3 3.66Å; F56-W87 HydrophobicContact CG-CH2 4.44Å; F56-W87 HydrophobicContact CG-CZ3 4.35Å; F56-W87 HydrophobicContact CZ-CH2 4Å; F56-W87 AromaticContact CZ-CZ3 3.56Å; F56-W87 HydrophobicContact CZ-CZ3 3.56Å; L64-W87 HydrophobicContact CD1-CE3 4.45Å; L64-W87 HydrophobicContact CD2-CE3 3.96Å; L64-W87 HydrophobicContact CD2-CH2 4.48Å; L64-W87 HydrophobicContact CD2-CZ3 3.57Å; F73-W87 AromaticContact CD1-CE3 3.56Å; F73-W87 HydrophobicContact CD1-CE3 3.56Å; F73-W87 HydrophobicContact CD1-CZ3 4.11Å; F73-W87 HydrophobicContact CD2-CB 3.75Å; F73-W87 HydrophobicContact CD2-CE3 4.48Å; F73-W87 AromaticContact CE1-CE3 3.5Å; F73-W87 HydrophobicContact CE1-CE3 3.5Å; F73-W87 AromaticContact CE1-CZ3 3.96Å; F73-W87 HydrophobicContact CE1-CZ3 3.96Å; F73-W87 HydrophobicContact CE2-CB 3.98Å; F73-W87 HydrophobicContact CE2-CE3 4.47Å; F73-W87 HydrophobicContact CG-CB 4.16Å; F73-W87 HydrophobicContact CG-CE3 4.05Å; F73-W87 AromaticContact CZ-CE3 3.99Å; F73-W87 HydrophobicContact CZ-CE3 3.99Å; D83-W87 HydrophobicContact CB-CD2 4.44Å; D83-W87 HydrophobicContact CB-CZ2 4.24Å; D83-W87 WeakPolarHBondContact O-CB 3.44Å; D83-W87 VanDerWaalsContact O-CD1 3.25Å; D83-W87 PolarHBondContact O-N 2.85Å; A84-W87 PolarHBondContact O-N 3.47Å; W87-K89 PolarHBondContact O-N 2.67Å; W87-R90 PolarHBondContact O-N 3.19Å; W87-R90 VanDerWaalsContact O-N 3.13Å; W87-L93 HydrophobicContact CB-CD2 3.64Å; W87-L93 HydrophobicContact CD2-CD2 4.08Å; W87-L93 HydrophobicContact CE3-CD2 4.48Å; W87-L93 HydrophobicContact CG-CD2 3.69Å
88	N	98.4	Very high	97.5	Very high	35 Å²	35	80.4 Å²	80.4	19%	0.187	40%	0.395	C	S	.	.	H	α-helix	trans	-69.6	-18.8	173.1	-71.8	-33.7	0	0	0	113.7	M72 F73 A84 L94	M72-N88 WeakPolarHBondContact CB-OD1 3.35Å; M72-N88 WeakPolarHBondContact CE-ND2 3.36Å; F73-N88 PolarHBondContact N-OD1 2.98Å; F73-N88 PolarHBondContact O-ND2 3.06Å; A84-N88 WeakPolarHBondContact O-CB 3.47Å; A84-N88 PolarHBondContact O-N 2.89Å; A84-N88 PolarHBondContact O-ND2 2.78Å; N88-L94 WeakPolarHBondContact O-CD1 3.48Å
89	K	98	Very high	97.5	Very high	159 Å²	159	73.6 Å²	73.6	69%	0.691	37%	0.368	S	S	*	.	H	α-helix	trans	-84.6	-13.6	172.7	-69.6	165.9	-168.2	156.7	0	112.5	D85 Q86 W87 L91	D85-K89 WeakPolarHBondContact O-CD 3.44Å; D85-K89 WeakPolarHBondContact O-CE 3.34Å; D85-K89 VanDerWaalsContact O-CG 3.25Å; D85-K89 WeakPolarHBondContact O-CG 3.49Å; Q86-K89 PolarHBondContact O-N 3.46Å; W87-K89 PolarHBondContact O-N 2.67Å; K89-L91 PolarHBondContact O-N 2.8Å
90	R	97.9	Very high	97.6	Very high	111 Å²	111	70.1 Å²	70.1	42%	0.419	35%	0.352	S	S	.	.			trans	-90	97.5	177.2	-70	-131.1	-52.7	-124.9	-2.6	110.9	Q86 W87 D92 L93 L94	Q86-R90 PolarHBondContact O-N 3.1Å; W87-R90 PolarHBondContact O-N 3.19Å; W87-R90 VanDerWaalsContact O-N 3.13Å; R90-D92 VanDerWaalsContact C-N 3.33Å; R90-D92 WeakPolarHBondContact CB-OD1 3.12Å; R90-D92 IonicContact NE-OD1 2.79Å; R90-D92 PolarHBondContact O-N 2.98Å; R90-L93 HydrophobicContact CB-CB 3.93Å; R90-L93 PolarHBondContact O-N 2.98Å; R90-L94 PolarHBondContact O-N 2.95Å
91	L	96.3	Very high	97.6	Very high	117 Å²	117	71 Å²	71	61%	0.613	36%	0.358	S	S	*	.	H	α-helix	trans	-58.6	-41.7	-179.6	-77.7	163.2	0	0	0	112.8	K89 L93 L94 E95	K89-L91 PolarHBondContact O-N 2.8Å; L91-L93 VanDerWaalsContact C-N 3.3Å; L91-L93 PolarHBondContact O-N 2.92Å; L91-L94 PolarHBondContact O-N 3.23Å; L91-E95 WeakPolarHBondContact O-CB 3.48Å; L91-E95 WeakPolarHBondContact O-CG 3.37Å; L91-E95 PolarHBondContact O-N 2.77Å
92	D	96.7	Very high	97.5	Very high	101 Å²	101	70 Å²	70	54%	0.54	36%	0.356	S	S	.	.	H	α-helix	trans	-56.6	-43.8	176.9	62.1	-46.5	0	0	0	112.1	R90 T96	R90-D92 VanDerWaalsContact C-N 3.33Å; R90-D92 WeakPolarHBondContact CB-OD1 3.12Å; R90-D92 IonicContact NE-OD1 2.79Å; R90-D92 PolarHBondContact O-N 2.98Å; D92-T96 VanDerWaalsContact O-CB 3.3Å; D92-T96 WeakPolarHBondContact O-CB 3.39Å; D92-T96 PolarHBondContact O-N 3.27Å; D92-T96 VanDerWaalsContact O-N 3.14Å; D92-T96 PolarHBondContact O-OG1 3.31Å
93	L	96.3	Very high	97.4	Very high	42 Å²	42	72.1 Å²	72.1	22%	0.22	36%	0.36	C	S	.	.	H	α-helix	trans	-70.5	-47.5	178.5	-178.8	63.5	0	0	0	111.2	F73 W87 R90 L91 E95 T96 S97	F73-L93 HydrophobicContact CE2-CD2 3.83Å; F73-L93 HydrophobicContact CE2-CG 3.83Å; F73-L93 HydrophobicContact CZ-CD1 4.29Å; F73-L93 HydrophobicContact CZ-CD2 3.85Å; F73-L93 HydrophobicContact CZ-CG 3.82Å; W87-L93 HydrophobicContact CB-CD2 3.64Å; W87-L93 HydrophobicContact CD2-CD2 4.08Å; W87-L93 HydrophobicContact CE3-CD2 4.48Å; W87-L93 HydrophobicContact CG-CD2 3.69Å; R90-L93 HydrophobicContact CB-CB 3.93Å; R90-L93 PolarHBondContact O-N 2.98Å; L91-L93 VanDerWaalsContact C-N 3.3Å; L91-L93 PolarHBondContact O-N 2.92Å; L93-E95 PolarHBondContact O-N 2.85Å; L93-T96 PolarHBondContact O-N 2.71Å; L93-S97 WeakPolarHBondContact O-CB 3.45Å; L93-S97 PolarHBondContact O-N 2.95Å; L93-S97 PolarHBondContact O-OG 3.04Å
94	L	96.8	Very high	97.3	Very high	10 Å²	10	73.5 Å²	73.5	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-60.8	-46	179.3	-84.2	-179.5	0	0	0	112.7	F66 M72 F73 N88 R90 L91 S97 R98	F66-L94 HydrophobicContact CE2-CD2 4.37Å; M72-L94 HydrophobicContact CB-CD2 4.24Å; F73-L94 HydrophobicContact CD2-CD2 3.82Å; F73-L94 HydrophobicContact CE2-CD2 3.95Å; N88-L94 WeakPolarHBondContact O-CD1 3.48Å; R90-L94 PolarHBondContact O-N 2.95Å; L91-L94 PolarHBondContact O-N 3.23Å; L94-S97 PolarHBondContact O-N 2.96Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 VanDerWaalsContact O-CG 3.22Å; L94-R98 WeakPolarHBondContact O-CG 3.46Å; L94-R98 PolarHBondContact O-N 2.72Å
95	E	97.3	Very high	97.3	Very high	120 Å²	120	73.3 Å²	73.3	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-64.8	-42	179.1	-72.2	-177.5	171.6	0	0	111.3	L91 L93 R98 A99	L91-E95 WeakPolarHBondContact O-CB 3.48Å; L91-E95 WeakPolarHBondContact O-CG 3.37Å; L91-E95 PolarHBondContact O-N 2.77Å; L93-E95 PolarHBondContact O-N 2.85Å; E95-R98 PolarHBondContact O-N 3.2Å; E95-A99 VanDerWaalsContact O-CB 3.25Å; E95-A99 WeakPolarHBondContact O-CB 3.4Å; E95-A99 PolarHBondContact O-N 3.46Å
96	T	96.9	Very high	97.3	Very high	98 Å²	98	71.2 Å²	71.2	60%	0.601	35%	0.353	S	S	*	.	H	α-helix	trans	-61.9	-44.8	175.1	-58.2	0	0	0	0	111.4	D92 L93 A99 A100	D92-T96 VanDerWaalsContact O-CB 3.3Å; D92-T96 WeakPolarHBondContact O-CB 3.39Å; D92-T96 PolarHBondContact O-N 3.27Å; D92-T96 VanDerWaalsContact O-N 3.14Å; D92-T96 PolarHBondContact O-OG1 3.31Å; L93-T96 PolarHBondContact O-N 2.71Å; T96-A99 PolarHBondContact O-N 2.93Å; T96-A100 PolarHBondContact O-N 2.91Å
97	S	97.1	Very high	97.2	Very high	20 Å²	20	71.1 Å²	71.1	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-42	177.6	-64	0	0	0	0	112.4	F66 F73 L93 L94 A100	F66-S97 WeakPolarHBondContact CE1-O 3.37Å; F66-S97 VanDerWaalsContact CE2-CB 3.44Å; F66-S97 VanDerWaalsContact CZ-CB 3.49Å; F73-S97 WeakPolarHBondContact CZ-OG 3.01Å; L93-S97 WeakPolarHBondContact O-CB 3.45Å; L93-S97 PolarHBondContact O-N 2.95Å; L93-S97 PolarHBondContact O-OG 3.04Å; L94-S97 PolarHBondContact O-N 2.96Å; S97-A100 WeakPolarHBondContact O-CB 2.99Å; S97-A100 PolarHBondContact O-N 2.95Å
98	R	97.9	Very high	97.2	Very high	112 Å²	112	75.5 Å²	75.5	42%	0.423	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-42.6	174.1	-70.4	166.3	-174.8	161.3	1.8	111.5	F66 G71 L94 E95 A100	F66-R98 HydrophobicContact CE2-CG 4.45Å; F66-R98 HydrophobicContact CZ-CG 3.97Å; G71-R98 VanDerWaalsContact O-CZ 3.25Å; G71-R98 PolarHBondContact O-NE 3.41Å; G71-R98 PolarHBondContact O-NH2 2.72Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 VanDerWaalsContact O-CG 3.22Å; L94-R98 WeakPolarHBondContact O-CG 3.46Å; L94-R98 PolarHBondContact O-N 2.72Å; E95-R98 PolarHBondContact O-N 3.2Å; R98-A100 VanDerWaalsContact C-N 3.25Å; R98-A100 PolarHBondContact O-N 2.84Å
99	A	97.8	Very high	97.1	Very high	27 Å²	27	76.5 Å²	76.5	22%	0.223	38%	0.375	C	S	.	.	H	α-helix	trans	-66.8	-25.5	179.1	0	0	0	0	0	113.2	E95 T96 V101 N102 M103	E95-A99 VanDerWaalsContact O-CB 3.25Å; E95-A99 WeakPolarHBondContact O-CB 3.4Å; E95-A99 PolarHBondContact O-N 3.46Å; T96-A99 PolarHBondContact O-N 2.93Å; A99-V101 PolarHBondContact O-N 3.12Å; A99-N102 PolarHBondContact O-N 2.92Å; A99-M103 HydrophobicContact CB-CE 3.77Å; A99-M103 HydrophobicContact CB-SD 4Å; A99-M103 PolarHBondContact O-N 3.45Å
100	A	97.8	Very high	97	Very high	21 Å²	21	76 Å²	76	17%	0.174	37%	0.373	C	S	.	.	H	α-helix	trans	-60.2	-25.4	-179.4	0	0	0	0	0	113.6	L52 T96 S97 R98 N102 V104 C105	L52-A100 HydrophobicContact CD2-CB 3.61Å; T96-A100 PolarHBondContact O-N 2.91Å; S97-A100 WeakPolarHBondContact O-CB 2.99Å; S97-A100 PolarHBondContact O-N 2.95Å; R98-A100 VanDerWaalsContact C-N 3.25Å; R98-A100 PolarHBondContact O-N 2.84Å; A100-N102 VanDerWaalsContact C-N 3.26Å; A100-N102 PolarHBondContact O-N 3.11Å; A100-V104 HydrophobicContact CB-CG2 4.14Å; A100-V104 WeakPolarHBondContact O-CA 3.19Å; A100-V104 VanDerWaalsContact O-CB 3.24Å; A100-V104 WeakPolarHBondContact O-CB 3.35Å; A100-V104 PolarHBondContact O-N 3.49Å; A100-C105 PolarHBondContact O-N 3.43Å; A100-C105 VanDerWaalsContact O-N 3.14Å
101	V	98.1	Very high	96.9	Very high	18 Å²	18	75.8 Å²	75.8	11%	0.109	38%	0.379	C	S	.	.	I	π-helix	trans	-54.3	-46	171.2	178.2	0	0	0	0	110.7	V50 L52 A99 C105 R106	V50-V101 HydrophobicContact CB-CG1 4.08Å; V50-V101 HydrophobicContact CG1-CG1 3.93Å; L52-V101 HydrophobicContact CB-CG2 3.84Å; L52-V101 HydrophobicContact CD2-CG2 4.31Å; A99-V101 PolarHBondContact O-N 3.12Å; V101-C105 VanDerWaalsContact O-CB 3.27Å; V101-C105 WeakPolarHBondContact O-CB 3.46Å; V101-C105 PolarHBondContact O-N 3.09Å; V101-R106 WeakPolarHBondContact O-CG 3.31Å; V101-R106 PolarHBondContact O-N 2.87Å
102	N	97.3	Very high	96.9	Very high	95 Å²	95	70.7 Å²	70.7	51%	0.508	36%	0.355	S	S	.	.	I	π-helix	trans	-85.2	-48.6	-178.2	-66.7	-34.8	0	0	0	111.7	A99 A100 R106 Q107	A99-N102 PolarHBondContact O-N 2.92Å; A100-N102 VanDerWaalsContact C-N 3.26Å; A100-N102 PolarHBondContact O-N 3.11Å; N102-R106 WeakPolarHBondContact OD1-CD 3.26Å; N102-R106 PolarHBondContact OD1-NE 3.2Å; N102-Q107 PolarHBondContact O-N 2.82Å
103	M	95.1	Very high	96.8	Very high	126 Å²	126	66.2 Å²	66.2	62%	0.621	33%	0.332	S	S	*	.	I	π-helix	trans	-72.2	-29.7	-173.4	-63.7	179.9	-173.3	0	0	112.9	A99 Q107	A99-M103 HydrophobicContact CB-CE 3.77Å; A99-M103 HydrophobicContact CB-SD 4Å; A99-M103 PolarHBondContact O-N 3.45Å; M103-Q107 VanDerWaalsContact O-CB 3.31Å; M103-Q107 WeakPolarHBondContact O-CB 3.42Å; M103-Q107 PolarHBondContact O-OE1 3.22Å
104	V	95.8	Very high	96.8	Very high	72 Å²	72	68 Å²	68	44%	0.436	35%	0.346	S	S	.	.	I	π-helix	trans	-106.2	-67.7	179.6	-174.9	0	0	0	0	109.7	A100 Q107 K108	A100-V104 HydrophobicContact CB-CG2 4.14Å; A100-V104 WeakPolarHBondContact O-CA 3.19Å; A100-V104 VanDerWaalsContact O-CB 3.24Å; A100-V104 WeakPolarHBondContact O-CB 3.35Å; A100-V104 PolarHBondContact O-N 3.49Å; V104-Q107 PolarHBondContact O-N 3.29Å; V104-K108 HydrophobicContact CG1-CG 4.33Å; V104-K108 WeakPolarHBondContact O-CB 3.35Å; V104-K108 WeakPolarHBondContact O-CG 3.27Å; V104-K108 PolarHBondContact O-N 2.83Å
105	C	97.9	Very high	96.5	Very high	1 Å²	1	73.9 Å²	73.9	1%	0.007	37%	0.371	C	S	.	.	I	π-helix	trans	-61.2	-57	-169.3	-58.8	0	0	0	0	112.2	C41 F43 V50 A100 V101 Q107 K108 Y109	C41-C105 HydrophobicContact CB-CB 3.58Å; C41-C105 WeakPolarHBondContact CB-SG 3.25Å; C41-C105 WeakPolarHBondContact SG-CA 3.45Å; C41-C105 WeakPolarHBondContact SG-CB 3.43Å; C41-C105 CovalentContact SG-SG 2.03Å; C41-C105 PolarHBondContact SG-SG 3.35Å; F43-C105 HydrophobicContact CE1-CB 4.03Å; F43-C105 HydrophobicContact CZ-CB 3.84Å; F43-C105 WeakPolarHBondContact CZ-O 3.35Å; V50-C105 HydrophobicContact CG1-CB 3.56Å; A100-C105 PolarHBondContact O-N 3.43Å; A100-C105 VanDerWaalsContact O-N 3.14Å; V101-C105 VanDerWaalsContact O-CB 3.27Å; V101-C105 WeakPolarHBondContact O-CB 3.46Å; V101-C105 PolarHBondContact O-N 3.09Å; C105-Q107 PolarHBondContact O-N 2.82Å; C105-K108 PolarHBondContact O-N 3.3Å; C105-Y109 WeakPolarHBondContact O-CB 3.49Å; C105-Y109 PolarHBondContact O-N 3.26Å
106	R	98.1	Very high	96.4	Very high	56 Å²	56	69.9 Å²	69.9	21%	0.211	36%	0.355	C	S	.	.	I	π-helix	trans	-65	-41.6	-177.9	-64.7	-178	-170.3	-74.5	5.1	112.4	T47 E48 V50 V101 N102 Y109 K110	T47-R106 PolarHBondContact O-NH1 2.02Å; E48-R106 PolarHBondContact O-NH2 3.45Å; E48-R106 VanDerWaalsContact O-NH2 3.11Å; V50-R106 HydrophobicContact CG2-CG 4.07Å; V101-R106 WeakPolarHBondContact O-CG 3.31Å; V101-R106 PolarHBondContact O-N 2.87Å; N102-R106 WeakPolarHBondContact OD1-CD 3.26Å; N102-R106 PolarHBondContact OD1-NE 3.2Å; R106-Y109 PolarHBondContact O-N 2.78Å; R106-K110 WeakPolarHBondContact O-CG 3.42Å; R106-K110 PolarHBondContact O-N 3.21Å; R106-K110 VanDerWaalsContact O-N 3.09Å
107	Q	96.4	Very high	96.3	Very high	108 Å²	108	69 Å²	69	51%	0.505	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-46.1	178.1	-171.9	-178.5	-16.1	0	0	111.4	N102 M103 V104 C105 K110 L111	N102-Q107 PolarHBondContact O-N 2.82Å; M103-Q107 VanDerWaalsContact O-CB 3.31Å; M103-Q107 WeakPolarHBondContact O-CB 3.42Å; M103-Q107 PolarHBondContact O-OE1 3.22Å; V104-Q107 PolarHBondContact O-N 3.29Å; C105-Q107 PolarHBondContact O-N 2.82Å; Q107-K110 PolarHBondContact O-N 2.91Å; Q107-L111 HydrophobicContact CG-CD1 4.29Å; Q107-L111 WeakPolarHBondContact O-CG 3.46Å; Q107-L111 PolarHBondContact O-N 3.14Å; Q107-L111 VanDerWaalsContact O-N 3.1Å
108	K	96.8	Very high	96.2	Very high	137 Å²	137	74.1 Å²	74.1	60%	0.596	37%	0.371	S	S	*	.	H	α-helix	trans	-68.4	-36.6	179.3	-67.1	-66.7	-177.5	-179.2	0	112.3	V104 C105 L111 G112	V104-K108 HydrophobicContact CG1-CG 4.33Å; V104-K108 WeakPolarHBondContact O-CB 3.35Å; V104-K108 WeakPolarHBondContact O-CG 3.27Å; V104-K108 PolarHBondContact O-N 2.83Å; C105-K108 PolarHBondContact O-N 3.3Å; K108-L111 PolarHBondContact O-N 3.23Å; K108-G112 PolarHBondContact O-N 3.29Å
109	Y	97.4	Very high	96.1	Very high	55 Å²	55	73.3 Å²	73.3	22%	0.216	37%	0.368	C	S	.	.	H	α-helix	trans	-57.3	-50.1	171.6	-176.1	-81.6	0	0	0	111	F43 G46 T47 C105 R106 L111 G112 A113 V117	F43-Y109 HydrophobicContact CB-CD2 4.3Å; F43-Y109 HydrophobicContact CB-CE2 4.25Å; F43-Y109 AromaticContact CD1-CD2 3.56Å; F43-Y109 HydrophobicContact CD1-CD2 3.56Å; F43-Y109 HydrophobicContact CD1-CE2 4.26Å; F43-Y109 HydrophobicContact CD1-CG 4.07Å; F43-Y109 AromaticContact CD2-CD2 3.98Å; F43-Y109 HydrophobicContact CD2-CD2 3.98Å; F43-Y109 AromaticContact CE1-CD2 3.82Å; F43-Y109 HydrophobicContact CE1-CD2 3.82Å; F43-Y109 HydrophobicContact CE1-CG 4Å; F43-Y109 HydrophobicContact CE2-CD2 4.17Å; F43-Y109 AromaticContact CG-CD2 3.67Å; F43-Y109 HydrophobicContact CG-CD2 3.67Å; F43-Y109 HydrophobicContact CG-CE2 4.12Å; F43-Y109 HydrophobicContact CZ-CD2 4.11Å; F43-Y109 HydrophobicContact CZ-CG 4.43Å; G46-Y109 WeakPolarHBondContact CA-OH 3.38Å; T47-Y109 HydrophobicContact CG2-CD1 3.26Å; T47-Y109 HydrophobicContact CG2-CD2 4.38Å; T47-Y109 HydrophobicContact CG2-CE1 3.85Å; T47-Y109 HydrophobicContact CG2-CG 3.58Å; C105-Y109 WeakPolarHBondContact O-CB 3.49Å; C105-Y109 PolarHBondContact O-N 3.26Å; R106-Y109 PolarHBondContact O-N 2.78Å; Y109-L111 VanDerWaalsContact C-N 3.29Å; Y109-L111 PolarHBondContact O-N 2.9Å; Y109-G112 PolarHBondContact O-N 3.18Å; Y109-G112 VanDerWaalsContact O-N 3.13Å; Y109-A113 HydrophobicContact CD1-CB 4.22Å; Y109-A113 HydrophobicContact CE1-CB 3.94Å; Y109-A113 VanDerWaalsContact O-CB 3.24Å; Y109-A113 WeakPolarHBondContact O-CB 3.31Å; Y109-A113 PolarHBondContact O-N 3.17Å; Y109-V117 HydrophobicContact CE2-CG2 3.87Å
110	K	96.1	Very high	96	Very high	150 Å²	150	75.9 Å²	75.9	65%	0.652	38%	0.378	S	S	*	.	H	α-helix	trans	-59.8	-39.1	179.4	-72	176.3	-179.6	-176.6	0	112.9	R106 Q107	R106-K110 WeakPolarHBondContact O-CG 3.42Å; R106-K110 PolarHBondContact O-N 3.21Å; R106-K110 VanDerWaalsContact O-N 3.09Å; Q107-K110 PolarHBondContact O-N 2.91Å
111	L	95.8	Very high	96	Very high	105 Å²	105	76.6 Å²	76.6	55%	0.55	38%	0.38	S	S	.	.	H	α-helix	trans	-72.1	-35.5	177.1	-68.2	171.3	0	0	0	112.1	Q107 K108 Y109 F115	Q107-L111 HydrophobicContact CG-CD1 4.29Å; Q107-L111 WeakPolarHBondContact O-CG 3.46Å; Q107-L111 PolarHBondContact O-N 3.14Å; Q107-L111 VanDerWaalsContact O-N 3.1Å; K108-L111 PolarHBondContact O-N 3.23Å; Y109-L111 VanDerWaalsContact C-N 3.29Å; Y109-L111 PolarHBondContact O-N 2.9Å; L111-F115 WeakPolarHBondContact O-CE1 3.37Å
112	G	95.6	Very high	96	Very high	10 Å²	10	79.1 Å²	79.1	10%	0.103	40%	0.397	C	S	.	.	H	α-helix	trans	-87	-32.3	-173.5	0	0	0	0	0	115.4	K108 Y109 P114 F115 T116	K108-G112 PolarHBondContact O-N 3.29Å; Y109-G112 PolarHBondContact O-N 3.18Å; Y109-G112 VanDerWaalsContact O-N 3.13Å; G112-P114 VanDerWaalsContact C-N 3.34Å; G112-F115 VanDerWaalsContact CA-CZ 3.47Å; G112-F115 WeakPolarHBondContact O-CG 3.32Å; G112-F115 PolarHBondContact O-N 3.04Å; G112-T116 PolarHBondContact O-N 2.93Å; G112-T116 PolarHBondContact O-OG1 3.41Å
113	A	95.8	Very high	96.1	Very high	8 Å²	8	75.4 Å²	75.4	7%	0.066	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-52	-41.9	-170.3	0	0	0	0	0	114.2	Y109 F115 T116 V117 E118	Y109-A113 HydrophobicContact CD1-CB 4.22Å; Y109-A113 HydrophobicContact CE1-CB 3.94Å; Y109-A113 VanDerWaalsContact O-CB 3.24Å; Y109-A113 WeakPolarHBondContact O-CB 3.31Å; Y109-A113 PolarHBondContact O-N 3.17Å; A113-F115 PolarHBondContact O-N 2.95Å; A113-F115 VanDerWaalsContact O-N 3.11Å; A113-T116 PolarHBondContact O-N 3.28Å; A113-V117 HydrophobicContact CB-CB 4.14Å; A113-V117 HydrophobicContact CB-CG2 4.15Å; A113-V117 PolarHBondContact O-N 3.2Å; A113-E118 PolarHBondContact O-N 3.44Å
114	P	95	Very high	96.2	Very high	78 Å²	78	75.7 Å²	75.7	51%	0.506	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-59.4	-26.3	179.9	-26.9	36.8	0	0	0	114.8	G112	G112-P114 VanDerWaalsContact C-N 3.34Å
115	F	91.9	Very high	96.3	Very high	135 Å²	135	73.2 Å²	73.2	59%	0.592	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-115.8	-4.4	-177.4	59.8	-100.2	0	0	0	114.3	L111 G112 A113 R119	L111-F115 WeakPolarHBondContact O-CE1 3.37Å; G112-F115 VanDerWaalsContact CA-CZ 3.47Å; G112-F115 WeakPolarHBondContact O-CG 3.32Å; G112-F115 PolarHBondContact O-N 3.04Å; A113-F115 PolarHBondContact O-N 2.95Å; A113-F115 VanDerWaalsContact O-N 3.11Å; F115-R119 WeakPolarHBondContact O-CB 3.29Å
116	T	94.3	Very high	96.3	Very high	35 Å²	35	75.7 Å²	75.7	22%	0.215	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-59.9	174.2	60.4	0	0	0	0	112.3	G112 A113 R119 Y149 W179	G112-T116 PolarHBondContact O-N 2.93Å; G112-T116 PolarHBondContact O-OG1 3.41Å; A113-T116 PolarHBondContact O-N 3.28Å; T116-R119 WeakPolarHBondContact O-CB 3.42Å; T116-Y149 WeakPolarHBondContact O-CE1 3.41Å; T116-W179 HydrophobicContact CG2-CH2 3.85Å; T116-W179 HydrophobicContact CG2-CZ3 3.86Å
117	V	94.7	Very high	96.3	Very high	79 Å²	79	74.2 Å²	74.2	48%	0.479	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-44.1	-174.8	179.3	0	0	0	0	111.4	Y109 A113 R119	Y109-V117 HydrophobicContact CE2-CG2 3.87Å; A113-V117 HydrophobicContact CB-CB 4.14Å; A113-V117 HydrophobicContact CB-CG2 4.15Å; A113-V117 PolarHBondContact O-N 3.2Å; V117-R119 VanDerWaalsContact C-N 3.25Å; V117-R119 PolarHBondContact O-N 2.92Å
118	E	94.4	Very high	96.1	Very high	129 Å²	129	73.5 Å²	73.5	60%	0.603	37%	0.368	S	S	*	.	S	Bend	trans	-84.7	-3.8	-179	-63.8	173.6	-162.4	0	0	112.4	A113 N120	A113-E118 PolarHBondContact O-N 3.44Å; E118-N120 PolarHBondContact O-N 2.91Å; E118-N120 PolarHBondContact O-ND2 2.85Å
119	R	95.6	Very high	95.8	Very high	95 Å²	95	68.8 Å²	68.8	36%	0.358	35%	0.352	S	S	.	.			trans	-66.8	121.6	178.6	178.9	-178.8	175	78.6	-0.6	109.4	F115 T116 V117 V121 Y149	F115-R119 WeakPolarHBondContact O-CB 3.29Å; T116-R119 WeakPolarHBondContact O-CB 3.42Å; V117-R119 VanDerWaalsContact C-N 3.25Å; V117-R119 PolarHBondContact O-N 2.92Å; R119-V121 HydrophobicContact CG-CG2 4.39Å; R119-Y149 HydrophobicContact CB-CD1 4.1Å; R119-Y149 HydrophobicContact CB-CE1 4.07Å; R119-Y149 HydrophobicContact CG-CD1 3.84Å; R119-Y149 HydrophobicContact CG-CE1 4.21Å; R119-Y149 VanDerWaalsContact O-CD1 3.32Å; R119-Y149 WeakPolarHBondContact O-CD1 3.16Å
120	N	96.8	Very high	95.2	Very high	81 Å²	81	70.3 Å²	70.3	43%	0.433	36%	0.361	S	S	.	.			trans	-127.4	130	170.3	-70	-63.3	0	0	0	109.6	E118 Y149 P150	E118-N120 PolarHBondContact O-N 2.91Å; E118-N120 PolarHBondContact O-ND2 2.85Å; N120-Y149 CarbonylContact C-O 3.52Å; N120-Y149 WeakPolarHBondContact CA-O 3.26Å; N120-P150 VanDerWaalsContact OD1-CD 3.25Å; N120-P150 WeakPolarHBondContact OD1-CD 3.49Å
121	V	97.7	Very high	94	Very high	36 Å²	36	70.7 Å²	70.7	22%	0.218	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-125.6	117.3	173.8	-173.8	0	0	0	0	106.9	R119 G147 F148 Y149 H203	R119-V121 HydrophobicContact CG-CG2 4.39Å; V121-G147 WeakPolarHBondContact CG1-O 3.24Å; V121-F148 VanDerWaalsContact O-CA 3.31Å; V121-F148 WeakPolarHBondContact O-CA 3.38Å; V121-Y149 PolarHBondContact N-O 2.94Å; V121-Y149 PolarHBondContact O-N 2.88Å; V121-H203 PolarHBondContact O-CE1 3.28Å; V121-H203 VanDerWaalsContact O-CE1 3.29Å
122	P	98.1	Very high	92.3	Very high	70 Å²	70	67.6 Å²	67.6	46%	0.455	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.6	148.7	-178.8	28.5	-34.5	0	0	0	111.2	L206	P122-L206 HydrophobicContact CB-CD2 3.79Å
123	P	98.4	Very high	90.5	Very high	17 Å²	17	73.2 Å²	73.2	11%	0.11	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-72.7	149	175.4	27.1	-32.7	0	0	0	113.2	V125 V145 T146 F148 V201 H203 L206	P123-V125 HydrophobicContact CB-CG2 4.32Å; P123-V125 HydrophobicContact CG-CG2 4.39Å; P123-V145 HydrophobicContact CB-CG1 3.46Å; P123-V145 VanDerWaalsContact CB-CG1 3.46Å; P123-V145 HydrophobicContact CG-CG1 4.25Å; P123-T146 WeakPolarHBondContact CA-O 3.46Å; P123-F148 HydrophobicContact CB-CB 3.76Å; P123-F148 HydrophobicContact CB-CD1 4.02Å; P123-F148 HydrophobicContact CB-CG 4.17Å; P123-F148 HydrophobicContact CG-CB 4.42Å; P123-V201 HydrophobicContact CG-CG1 3.96Å; P123-H203 HydrophobicContact CG-CB 4.18Å; P123-L206 HydrophobicContact CG-CD1 3.87Å; P123-L206 HydrophobicContact CG-CD2 4.44Å; P123-L206 HydrophobicContact CG-CG 4.24Å
124	E	98.2	Very high	88.7	Confident	132 Å²	132	80.8 Å²	80.8	62%	0.617	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.3	156.3	-173.4	174.7	179.9	0	0	108.8	V145 T146	E124-V145 WeakPolarHBondContact O-CA 3.46Å; E124-T146 PolarHBondContact N-O 3.03Å; E124-T146 PolarHBondContact O-N 2.88Å
125	V	98.4	Very high	86.8	Confident	21 Å²	21	82.1 Å²	82.1	13%	0.127	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.2	-175.9	-174.6	0	0	0	0	109	P123 V145 V201 V210 V212	P123-V125 HydrophobicContact CB-CG2 4.32Å; P123-V125 HydrophobicContact CG-CG2 4.39Å; V125-V145 HydrophobicContact CG1-CG2 4.46Å; V125-V145 HydrophobicContact CG2-CG1 4.31Å; V125-V201 HydrophobicContact CG1-CG2 3.88Å; V125-V201 HydrophobicContact CG2-CB 4.06Å; V125-V201 HydrophobicContact CG2-CG1 4.27Å; V125-V201 HydrophobicContact CG2-CG2 3.74Å; V125-V210 HydrophobicContact CB-CG1 4.47Å; V125-V210 HydrophobicContact CG2-CG1 4.27Å; V125-V212 HydrophobicContact CB-CG2 3.9Å; V125-V212 HydrophobicContact CG1-CB 4.22Å; V125-V212 HydrophobicContact CG1-CG2 3.64Å
126	T	97.8	Very high	85.1	Confident	53 Å²	53	84.3 Å²	84.3	33%	0.325	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.7	177.1	56.9	0	0	0	0	110.1	C143 S144	T126-C143 CarbonylContact O-C 3.6Å; T126-C143 WeakPolarHBondContact O-CA 3.32Å; T126-S144 PolarHBondContact N-O 3.11Å; T126-S144 PolarHBondContact O-N 2.86Å; T126-S144 WeakPolarHBondContact OG1-CB 3.49Å; T126-S144 PolarHBondContact OG1-O 2.79Å
127	V	96.6	Very high	83.4	Confident	25 Å²	25	88.2 Å²	88.2	15%	0.152	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.9	177	176.5	0	0	0	0	109.4	L141 L142 C143 W157 C199 V212 W214	V127-L141 HydrophobicContact CG1-CD1 3.89Å; V127-L141 HydrophobicContact CG1-CD2 4.01Å; V127-L141 HydrophobicContact CG1-CG 3.85Å; V127-L142 VanDerWaalsContact CA-O 3.27Å; V127-L142 WeakPolarHBondContact CA-O 3.17Å; V127-C143 HydrophobicContact CG2-CB 4.26Å; V127-W157 HydrophobicContact CG1-CH2 3.73Å; V127-W157 HydrophobicContact CG1-CZ3 4.3Å; V127-W157 HydrophobicContact CG2-CH2 4.16Å; V127-C199 HydrophobicContact CG2-CB 3.66Å; V127-V212 HydrophobicContact CB-CG1 3.98Å; V127-V212 HydrophobicContact CG2-CB 3.85Å; V127-V212 HydrophobicContact CG2-CG1 3.74Å; V127-W214 HydrophobicContact CG1-CB 3.64Å; V127-W214 HydrophobicContact CG1-CG 4.33Å
128	Y	92.4	Very high	82	Confident	92 Å²	92	87.2 Å²	87.2	36%	0.361	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.3	179.1	60.1	-87.5	0	0	0	111.8	L142	Y128-L142 HydrophobicContact CD2-CB 4.37Å; Y128-L142 HydrophobicContact CE1-CB 4.21Å; Y128-L142 HydrophobicContact CE2-CB 3.99Å; Y128-L142 HydrophobicContact CE2-CD2 3.76Å; Y128-L142 HydrophobicContact CE2-CG 4.36Å; Y128-L142 PolarHBondContact N-O 2.84Å; Y128-L142 PolarHBondContact O-N 2.96Å; Y128-L142 WeakPolarHBondContact OH-CD2 3.47Å
129	P	91.4	Very high	81.3	Confident	38 Å²	38	81.9 Å²	81.9	25%	0.247	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	141.9	176.8	33.7	-33.8	0	0	0	110.6	H138 L140 L141 W214	P129-H138 HydrophobicContact CB-CB 4.09Å; P129-L140 WeakPolarHBondContact CA-O 3.43Å; P129-L141 HydrophobicContact CB-CD1 4.13Å; P129-W214 HydrophobicContact CB-CZ2 4.18Å; P129-W214 HydrophobicContact CG-CZ2 4.17Å
130	E	84.8	Confident	81.1	Confident	88 Å²	88	79.2 Å²	79.2	41%	0.411	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.1	174.5	-171	57.9	-119	0	0	110.5	L140 L142	E130-L140 HydrophobicContact CB-CB 4.48Å; E130-L140 PolarHBondContact N-O 2.9Å; E130-L142 HydrophobicContact CB-CD1 3.37Å; E130-L142 HydrophobicContact CB-CD2 4.46Å; E130-L142 HydrophobicContact CG-CD1 4.34Å
131	R	71.2	Confident	80.9	Confident	157 Å²	157	75.3 Å²	75.3	59%	0.592	39%	0.385	S	S	*	.			trans	-92	112.5	178	-72.1	-177.1	177.6	168	1.1	109.6
132	T	59.8	Low	80.9	Confident	40 Å²	40	74.4 Å²	74.4	25%	0.245	38%	0.378	C	S	.	.			trans	-75.1	125.7	169.3	46.6	0	0	0	0	110.1	L134 L135 L140	T132-L134 PolarHBondContact O-N 2.73Å; T132-L135 PolarHBondContact O-N 2.89Å; T132-L140 HydrophobicContact CG2-CB 4.26Å
133	P	57.3	Low	80.8	Confident	128 Å²	128	71.1 Å²	71.1	83%	0.831	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.1	-173.9	-26.7	33.8	0	0	0	114.9
134	L	57.2	Low	80.8	Confident	167 Å²	167	71.1 Å²	71.1	87%	0.874	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-28	-172	-71.5	166.1	0	0	0	114.2	T132	T132-L134 PolarHBondContact O-N 2.73Å
135	L	55.7	Low	80.9	Confident	106 Å²	106	64.8 Å²	64.8	56%	0.555	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-4.2	-168.4	-75.3	163.1	0	0	0	114.5	T132 Q137 N139	T132-L135 PolarHBondContact O-N 2.89Å; L135-Q137 PolarHBondContact O-N 2.85Å; L135-N139 VanDerWaalsContact CD1-ND2 3.26Å; L135-N139 WeakPolarHBondContact CD1-ND2 3.05Å
136	Q	56.3	Low	80.9	Confident	182 Å²	182	65.5 Å²	65.5	85%	0.85	33%	0.332	S	S	*	.	S	Bend	trans	50.6	13.6	-175.2	-67.5	-177.5	-10.9	0	0	114.6
137	Q	59.3	Low	80.9	Confident	116 Å²	116	64.3 Å²	64.3	54%	0.542	33%	0.33	S	S	.	.	S	Bend	trans	-112.9	153.4	178	-75.3	176.6	-22	0	0	110.2	L135 N139	L135-Q137 PolarHBondContact O-N 2.85Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.45Å; Q137-N139 PolarHBondContact O-N 2.88Å
138	H	63.8	Low	80.9	Confident	59 Å²	59	63.1 Å²	63.1	27%	0.273	32%	0.323	S	S	.	.			trans	-76.4	76.4	176.3	-67.2	-67.2	0	0	0	109.9	P129 M189	P129-H138 HydrophobicContact CB-CB 4.09Å; H138-M189 VanDerWaalsContact O-CE 3.26Å; H138-M189 WeakPolarHBondContact O-CE 3.25Å
139	N	81	Confident	81.2	Confident	17 Å²	17	60.4 Å²	60.4	9%	0.091	31%	0.313	C	S	.	.			trans	-94.4	-1.8	-176.8	-63	1.4	0	0	0	112.9	L135 Q137 E188 M189	L135-N139 VanDerWaalsContact CD1-ND2 3.26Å; L135-N139 WeakPolarHBondContact CD1-ND2 3.05Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.45Å; Q137-N139 PolarHBondContact O-N 2.88Å; N139-E188 CarbonylContact O-C 3.56Å; N139-E188 VanDerWaalsContact O-CA 3.29Å; N139-E188 WeakPolarHBondContact O-CA 3.49Å; N139-M189 CarbonylContact C-O 3.49Å; N139-M189 WeakPolarHBondContact CA-O 3.4Å; N139-M189 PolarHBondContact O-N 3.39Å
140	L	90.4	Very high	81.5	Confident	38 Å²	38	60 Å²	60	20%	0.199	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127	-178.6	-161	70.7	0	0	0	109.5	P129 E130 T132 L142 M186 L187 E188	P129-L140 WeakPolarHBondContact CA-O 3.43Å; E130-L140 HydrophobicContact CB-CB 4.48Å; E130-L140 PolarHBondContact N-O 2.9Å; T132-L140 HydrophobicContact CG2-CB 4.26Å; L140-L142 HydrophobicContact CB-CD1 4.34Å; L140-L142 HydrophobicContact CD2-CD1 3.82Å; L140-L142 HydrophobicContact CG-CD1 3.83Å; L140-M186 HydrophobicContact CD1-CB 4.03Å; L140-M186 HydrophobicContact CD2-CG 4.37Å; L140-M186 HydrophobicContact CG-CB 4.34Å; L140-L187 WeakPolarHBondContact CA-O 3.26Å; L140-E188 HydrophobicContact CD1-CB 4.48Å
141	L	93.6	Very high	82.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.3	173.2	-163.9	65.3	0	0	0	109.1	V127 P129 W157 M186 L187 M189 Y197 W214	V127-L141 HydrophobicContact CG1-CD1 3.89Å; V127-L141 HydrophobicContact CG1-CD2 4.01Å; V127-L141 HydrophobicContact CG1-CG 3.85Å; P129-L141 HydrophobicContact CB-CD1 4.13Å; L141-W157 HydrophobicContact CB-CH2 4.23Å; L141-W157 HydrophobicContact CB-CZ2 4.38Å; L141-W157 HydrophobicContact CD2-CE3 4.42Å; L141-W157 HydrophobicContact CD2-CH2 3.43Å; L141-W157 VanDerWaalsContact CD2-CH2 3.43Å; L141-W157 HydrophobicContact CD2-CZ2 4.33Å; L141-W157 HydrophobicContact CD2-CZ3 3.49Å; L141-W157 VanDerWaalsContact CD2-CZ3 3.49Å; L141-W157 HydrophobicContact CG-CH2 3.59Å; L141-W157 HydrophobicContact CG-CZ2 4.19Å; L141-W157 HydrophobicContact CG-CZ3 4.19Å; L141-M186 CarbonylContact O-C 3.53Å; L141-M186 VanDerWaalsContact O-CA 3.32Å; L141-M186 WeakPolarHBondContact O-CA 3.23Å; L141-L187 HydrophobicContact CB-CB 4.49Å; L141-L187 PolarHBondContact N-O 2.9Å; L141-L187 PolarHBondContact O-N 3.49Å; L141-M189 HydrophobicContact CB-CE 4.09Å; L141-M189 HydrophobicContact CB-CG 4.43Å; L141-M189 HydrophobicContact CD1-CE 4.32Å; L141-Y197 VanDerWaalsContact CD2-CB 3.44Å; L141-Y197 HydrophobicContact CD2-CD1 4.47Å; L141-Y197 HydrophobicContact CD2-CG 3.92Å; L141-W214 HydrophobicContact CD1-CB 4.28Å; L141-W214 HydrophobicContact CD1-CD2 3.66Å; L141-W214 HydrophobicContact CD1-CE3 3.94Å; L141-W214 HydrophobicContact CD1-CG 3.8Å; L141-W214 HydrophobicContact CD2-CB 4.22Å; L141-W214 HydrophobicContact CD2-CD2 4.31Å; L141-W214 HydrophobicContact CD2-CE3 3.97Å; L141-W214 HydrophobicContact CD2-CG 4.44Å
142	L	96.3	Very high	83.3	Confident	17 Å²	17	54.8 Å²	54.8	9%	0.089	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.6	-177.7	-76.8	67.8	0	0	0	108.9	V127 Y128 E130 L140 T184 M186	V127-L142 VanDerWaalsContact CA-O 3.27Å; V127-L142 WeakPolarHBondContact CA-O 3.17Å; Y128-L142 HydrophobicContact CD2-CB 4.37Å; Y128-L142 HydrophobicContact CE1-CB 4.21Å; Y128-L142 HydrophobicContact CE2-CB 3.99Å; Y128-L142 HydrophobicContact CE2-CD2 3.76Å; Y128-L142 HydrophobicContact CE2-CG 4.36Å; Y128-L142 PolarHBondContact N-O 2.84Å; Y128-L142 PolarHBondContact O-N 2.96Å; Y128-L142 WeakPolarHBondContact OH-CD2 3.47Å; E130-L142 HydrophobicContact CB-CD1 3.37Å; E130-L142 HydrophobicContact CB-CD2 4.46Å; E130-L142 HydrophobicContact CG-CD1 4.34Å; L140-L142 HydrophobicContact CB-CD1 4.34Å; L140-L142 HydrophobicContact CD2-CD1 3.82Å; L140-L142 HydrophobicContact CG-CD1 3.83Å; L142-T184 HydrophobicContact CB-CG2 4.16Å; L142-T184 HydrophobicContact CD2-CG2 4.13Å; L142-T184 HydrophobicContact CG-CG2 4.13Å; L142-M186 HydrophobicContact CD1-CG 4.48Å; L142-M186 HydrophobicContact CG-CG 4.03Å
143	C	98	Very high	85.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	100.7	163.1	-176.6	0	0	0	0	108	T126 V127 W157 T184 V185 C199	T126-C143 CarbonylContact O-C 3.6Å; T126-C143 WeakPolarHBondContact O-CA 3.32Å; V127-C143 HydrophobicContact CG2-CB 4.26Å; C143-W157 HydrophobicContact CB-CH2 3.92Å; C143-W157 HydrophobicContact CB-CZ2 3.43Å; C143-W157 VanDerWaalsContact CB-CZ2 3.43Å; C143-T184 WeakPolarHBondContact O-CA 3.35Å; C143-V185 PolarHBondContact N-O 3.02Å; C143-V185 PolarHBondContact O-N 3.32Å; C143-C199 HydrophobicContact CB-CB 3.58Å; C143-C199 WeakPolarHBondContact CB-SG 3.42Å; C143-C199 WeakPolarHBondContact SG-CB 3.47Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 2.97Å
144	S	98.2	Very high	87.1	Confident	17 Å²	17	51.9 Å²	51.9	12%	0.119	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.8	176.6	179.9	0	0	0	0	109	T126	T126-S144 PolarHBondContact N-O 3.11Å; T126-S144 PolarHBondContact O-N 2.86Å; T126-S144 WeakPolarHBondContact OG1-CB 3.49Å; T126-S144 PolarHBondContact OG1-O 2.79Å
145	V	98.6	Very high	89	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114	-177.2	-170.9	0	0	0	0	107.7	P123 E124 V125 F148 I153 V155 Q182 T183 V201	P123-V145 HydrophobicContact CB-CG1 3.46Å; P123-V145 VanDerWaalsContact CB-CG1 3.46Å; P123-V145 HydrophobicContact CG-CG1 4.25Å; E124-V145 WeakPolarHBondContact O-CA 3.46Å; V125-V145 HydrophobicContact CG1-CG2 4.46Å; V125-V145 HydrophobicContact CG2-CG1 4.31Å; V145-F148 HydrophobicContact CB-CE1 4.34Å; V145-F148 HydrophobicContact CG1-CD1 3.92Å; V145-F148 HydrophobicContact CG1-CE1 3.89Å; V145-F148 WeakPolarHBondContact O-CE1 3.43Å; V145-I153 HydrophobicContact CG1-CD1 3.55Å; V145-V155 HydrophobicContact CG2-CG1 4.41Å; V145-V155 HydrophobicContact CG2-CG2 4.17Å; V145-Q182 CarbonylContact O-C 3.55Å; V145-Q182 VanDerWaalsContact O-CA 3.25Å; V145-Q182 WeakPolarHBondContact O-CA 3.01Å; V145-T183 HydrophobicContact CB-CG2 4.09Å; V145-T183 PolarHBondContact N-O 2.92Å; V145-T183 PolarHBondContact O-N 3.48Å; V145-V201 HydrophobicContact CG1-CG1 4.12Å; V145-V201 HydrophobicContact CG2-CG2 3.91Å
146	T	98.4	Very high	91.1	Very high	35 Å²	35	42.9 Å²	42.9	22%	0.215	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	161.8	-166.6	61.4	0	0	0	0	112.6	P123 E124 F148 Q182	P123-T146 WeakPolarHBondContact CA-O 3.46Å; E124-T146 PolarHBondContact N-O 3.03Å; E124-T146 PolarHBondContact O-N 2.88Å; T146-F148 VanDerWaalsContact C-N 3.28Å; T146-F148 PolarHBondContact O-N 3.36Å; T146-Q182 HydrophobicContact CG2-CB 4.06Å
147	G	97.8	Very high	93.1	Very high	28 Å²	28	34.3 Å²	34.3	29%	0.289	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	73.7	11.1	168.9	0	0	0	0	0	115.6	V121 F181	V121-G147 WeakPolarHBondContact CG1-O 3.24Å; G147-F181 PolarHBondContact N-O 2.98Å; G147-F181 VanDerWaalsContact N-O 3.08Å
148	F	98.4	Very high	94.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	159	-171.9	63.9	-88.9	0	0	0	114.1	V121 P123 V145 T146 P150 I153 L173 T180 F181 T183 H203	V121-F148 VanDerWaalsContact O-CA 3.31Å; V121-F148 WeakPolarHBondContact O-CA 3.38Å; P123-F148 HydrophobicContact CB-CB 3.76Å; P123-F148 HydrophobicContact CB-CD1 4.02Å; P123-F148 HydrophobicContact CB-CG 4.17Å; P123-F148 HydrophobicContact CG-CB 4.42Å; V145-F148 HydrophobicContact CB-CE1 4.34Å; V145-F148 HydrophobicContact CG1-CD1 3.92Å; V145-F148 HydrophobicContact CG1-CE1 3.89Å; V145-F148 WeakPolarHBondContact O-CE1 3.43Å; T146-F148 VanDerWaalsContact C-N 3.28Å; T146-F148 PolarHBondContact O-N 3.36Å; F148-P150 WeakPolarHBondContact CD2-O 3.31Å; F148-I153 HydrophobicContact CD1-CD1 4.04Å; F148-I153 HydrophobicContact CD2-CD1 3.92Å; F148-I153 HydrophobicContact CE1-CD1 3.82Å; F148-I153 HydrophobicContact CE2-CB 3.91Å; F148-I153 HydrophobicContact CE2-CD1 3.71Å; F148-I153 HydrophobicContact CE2-CG1 4.43Å; F148-I153 HydrophobicContact CE2-CG2 3.87Å; F148-I153 HydrophobicContact CG-CD1 4.09Å; F148-I153 HydrophobicContact CZ-CB 4.3Å; F148-I153 HydrophobicContact CZ-CD1 3.67Å; F148-I153 HydrophobicContact CZ-CG2 3.87Å; F148-L173 HydrophobicContact CE2-CD1 3.86Å; F148-L173 HydrophobicContact CZ-CD1 3.71Å; F148-T180 CarbonylContact O-C 3.53Å; F148-T180 WeakPolarHBondContact O-CA 3.25Å; F148-F181 WeakPolarHBondContact CD1-O 3.27Å; F148-F181 HydrophobicContact CD2-CB 4.09Å; F148-F181 HydrophobicContact CE1-CB 4.28Å; F148-F181 HydrophobicContact CE2-CB 3.68Å; F148-F181 HydrophobicContact CZ-CB 3.78Å; F148-F181 PolarHBondContact N-O 3.03Å; F148-F181 PolarHBondContact O-N 3.11Å; F148-T183 HydrophobicContact CE1-CG2 4.3Å; F148-T183 HydrophobicContact CZ-CG2 4.18Å; F148-H203 AromaticContact CD2-CD2 3.78Å; F148-H203 AromaticContact CD2-NE2 3.62Å
149	Y	98.1	Very high	96.4	Very high	36 Å²	36	31.3 Å²	31.3	14%	0.141	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-156.9	139	172.5	-172.4	-82	0	0	0	109.5	T116 R119 N120 V121 W179 F181 H203	T116-Y149 WeakPolarHBondContact O-CE1 3.41Å; R119-Y149 HydrophobicContact CB-CD1 4.1Å; R119-Y149 HydrophobicContact CB-CE1 4.07Å; R119-Y149 HydrophobicContact CG-CD1 3.84Å; R119-Y149 HydrophobicContact CG-CE1 4.21Å; R119-Y149 VanDerWaalsContact O-CD1 3.32Å; R119-Y149 WeakPolarHBondContact O-CD1 3.16Å; N120-Y149 CarbonylContact C-O 3.52Å; N120-Y149 WeakPolarHBondContact CA-O 3.26Å; V121-Y149 PolarHBondContact N-O 2.94Å; V121-Y149 PolarHBondContact O-N 2.88Å; Y149-W179 WeakPolarHBondContact CD2-O 3.41Å; Y149-W179 HydrophobicContact CE2-CE3 4.04Å; Y149-F181 AromaticContact CD2-CD2 3.99Å; Y149-F181 HydrophobicContact CD2-CD2 3.99Å; Y149-F181 AromaticContact CD2-CE2 3.53Å; Y149-F181 HydrophobicContact CD2-CE2 3.53Å; Y149-F181 AromaticContact CE2-CE2 3.79Å; Y149-F181 HydrophobicContact CE2-CE2 3.79Å; Y149-F181 HydrophobicContact CG-CE2 4.48Å; Y149-H203 PolarHBondContact O-CE1 2.89Å
150	P	97.6	Very high	97.1	Very high	28 Å²	28	34.9 Å²	34.9	18%	0.182	19%	0.188	C	C	.	.	S	Bend	cis	-72.9	179.9	2.4	32.7	-37.9	0	0	0	112.2	N120 F148 D152 H203 P204	N120-P150 VanDerWaalsContact OD1-CD 3.25Å; N120-P150 WeakPolarHBondContact OD1-CD 3.49Å; F148-P150 WeakPolarHBondContact CD2-O 3.31Å; P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 2.54Å; P150-H203 PolarHBondContact O-NE2 2.03Å; P150-P204 HydrophobicContact CG-CG 4.34Å
151	G	97.2	Very high	97.2	Very high	14 Å²	14	36.1 Å²	36.1	14%	0.144	21%	0.21	C	C	.	.	S	Bend	trans	-72	-16.4	-178.1	0	0	0	0	0	114.7	I153 L173	G151-I153 PolarHBondContact O-N 2.83Å; G151-L173 WeakPolarHBondContact O-CD1 3.42Å
152	D	96.7	Very high	97.3	Very high	123 Å²	123	43.5 Å²	43.5	66%	0.658	25%	0.245	S	C	*	.			trans	-66.3	113.7	177.5	-60.8	-56.6	0	0	0	110.3	P150 H203 P204	P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 2.54Å; D152-H203 PolarHBondContact O-CD2 3Å; D152-P204 WeakPolarHBondContact O-CD 3.42Å
153	I	98.1	Very high	97.4	Very high	47 Å²	47	46.2 Å²	46.2	24%	0.241	26%	0.257	C	S	.	.			trans	-149.3	146.5	-176.3	-163.7	163.7	0	0	0	110.3	V145 F148 G151 V155 T183 V201 E202 H203	V145-I153 HydrophobicContact CG1-CD1 3.55Å; F148-I153 HydrophobicContact CD1-CD1 4.04Å; F148-I153 HydrophobicContact CD2-CD1 3.92Å; F148-I153 HydrophobicContact CE1-CD1 3.82Å; F148-I153 HydrophobicContact CE2-CB 3.91Å; F148-I153 HydrophobicContact CE2-CD1 3.71Å; F148-I153 HydrophobicContact CE2-CG1 4.43Å; F148-I153 HydrophobicContact CE2-CG2 3.87Å; F148-I153 HydrophobicContact CG-CD1 4.09Å; F148-I153 HydrophobicContact CZ-CB 4.3Å; F148-I153 HydrophobicContact CZ-CD1 3.67Å; F148-I153 HydrophobicContact CZ-CG2 3.87Å; G151-I153 PolarHBondContact O-N 2.83Å; I153-V155 HydrophobicContact CD1-CG2 4.25Å; I153-V155 HydrophobicContact CG1-CG2 4.05Å; I153-T183 HydrophobicContact CG2-CG2 4.37Å; I153-V201 HydrophobicContact CD1-CG1 3.84Å; I153-V201 HydrophobicContact CG1-CG1 4.1Å; I153-E202 WeakPolarHBondContact CG1-O 3.47Å; I153-H203 HydrophobicContact CD1-CB 4.39Å; I153-H203 HydrophobicContact CG1-CB 4.2Å
154	N	98.1	Very high	97.3	Very high	59 Å²	59	48.9 Å²	48.9	32%	0.316	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.6	172.8	176.3	29.1	0	0	0	109	K156 V201 E202	N154-K156 WeakPolarHBondContact ND2-CE 3.31Å; N154-V201 WeakPolarHBondContact O-CA 3.06Å; N154-E202 HydrophobicContact CB-CB 4.21Å; N154-E202 PolarHBondContact N-O 3.36Å; N154-E202 PolarHBondContact ND2-OE2 3.3Å; N154-E202 PolarHBondContact O-N 2.84Å
155	V	98.4	Very high	97.1	Very high	26 Å²	26	56.8 Å²	56.8	16%	0.158	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.2	-176.6	-176.8	0	0	0	0	108.4	V145 I153 T183 V185 C199 L200 V201	V145-V155 HydrophobicContact CG2-CG1 4.41Å; V145-V155 HydrophobicContact CG2-CG2 4.17Å; I153-V155 HydrophobicContact CD1-CG2 4.25Å; I153-V155 HydrophobicContact CG1-CG2 4.05Å; V155-T183 HydrophobicContact CG2-CG2 4.36Å; V155-V185 HydrophobicContact CB-CG2 3.74Å; V155-V185 HydrophobicContact CG1-CB 3.88Å; V155-V185 HydrophobicContact CG1-CG1 4.49Å; V155-V185 HydrophobicContact CG1-CG2 3.53Å; V155-V185 HydrophobicContact CG2-CG2 4.41Å; V155-C199 VanDerWaalsContact CG1-SG 3.56Å; V155-L200 CarbonylContact C-O 3.51Å; V155-L200 WeakPolarHBondContact CA-O 3.35Å; V155-V201 HydrophobicContact CG1-CG2 4.21Å; V155-V201 HydrophobicContact CG2-CG1 4.4Å; V155-V201 HydrophobicContact CG2-CG2 4.26Å
156	K	98.3	Very high	96.9	Very high	59 Å²	59	61.4 Å²	61.4	26%	0.257	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.6	-176.4	-67.3	177.7	-179.7	173.3	0	111.3	N154 F158 C199 L200	N154-K156 WeakPolarHBondContact ND2-CE 3.31Å; K156-F158 HydrophobicContact CB-CD2 4.43Å; K156-F158 HydrophobicContact CB-CE2 3.83Å; K156-F158 HydrophobicContact CD-CE2 4.48Å; K156-C199 WeakPolarHBondContact O-CA 3.2Å; K156-L200 HydrophobicContact CB-CB 4.5Å; K156-L200 PolarHBondContact N-O 3.4Å; K156-L200 PolarHBondContact O-N 3.14Å
157	W	98.2	Very high	96.5	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.2	170.4	-82.2	110.9	0	0	0	111.3	V127 L141 C143 E163 E164 V168 V185 L187 C199	V127-W157 HydrophobicContact CG1-CH2 3.73Å; V127-W157 HydrophobicContact CG1-CZ3 4.3Å; V127-W157 HydrophobicContact CG2-CH2 4.16Å; L141-W157 HydrophobicContact CB-CH2 4.23Å; L141-W157 HydrophobicContact CB-CZ2 4.38Å; L141-W157 HydrophobicContact CD2-CE3 4.42Å; L141-W157 HydrophobicContact CD2-CH2 3.43Å; L141-W157 VanDerWaalsContact CD2-CH2 3.43Å; L141-W157 HydrophobicContact CD2-CZ2 4.33Å; L141-W157 HydrophobicContact CD2-CZ3 3.49Å; L141-W157 VanDerWaalsContact CD2-CZ3 3.49Å; L141-W157 HydrophobicContact CG-CH2 3.59Å; L141-W157 HydrophobicContact CG-CZ2 4.19Å; L141-W157 HydrophobicContact CG-CZ3 4.19Å; C143-W157 HydrophobicContact CB-CH2 3.92Å; C143-W157 HydrophobicContact CB-CZ2 3.43Å; C143-W157 VanDerWaalsContact CB-CZ2 3.43Å; W157-E163 WeakPolarHBondContact O-CA 3.08Å; W157-E164 HydrophobicContact CB-CB 4.26Å; W157-E164 PolarHBondContact O-N 2.75Å; W157-V168 HydrophobicContact CB-CG2 4.24Å; W157-V168 HydrophobicContact CG-CG2 4.43Å; W157-V185 PolarHBondContact NE1-O 3.25Å; W157-V185 VanDerWaalsContact NE1-O 3.14Å; W157-L187 HydrophobicContact CB-CD2 4.29Å; W157-L187 HydrophobicContact CD2-CB 4.03Å; W157-L187 HydrophobicContact CD2-CD2 4.08Å; W157-L187 HydrophobicContact CE3-CD2 4.23Å; W157-L187 HydrophobicContact CG-CB 4.01Å; W157-L187 HydrophobicContact CG-CD2 4.13Å; W157-L187 HydrophobicContact CZ2-CB 4.39Å; W157-C199 HydrophobicContact CE3-CB 4.17Å; W157-C199 HydrophobicContact CH2-CB 3.96Å; W157-C199 HydrophobicContact CZ2-CB 4.38Å; W157-C199 HydrophobicContact CZ3-CB 3.84Å
158	F	97.8	Very high	96.4	Very high	44 Å²	44	62.3 Å²	62.3	19%	0.193	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.3	171.1	-71.2	-102	0	0	0	109.5	K156 Q162 E163 Y197 S198 L200	K156-F158 HydrophobicContact CB-CD2 4.43Å; K156-F158 HydrophobicContact CB-CE2 3.83Å; K156-F158 HydrophobicContact CD-CE2 4.48Å; F158-Q162 CarbonylContact C-O 3.46Å; F158-Q162 WeakPolarHBondContact CA-O 3.39Å; F158-E163 HydrophobicContact CD1-CB 4.18Å; F158-E163 HydrophobicContact CE1-CB 3.8Å; F158-E163 HydrophobicContact CE1-CG 4.44Å; F158-E163 HydrophobicContact CZ-CB 4.11Å; F158-E163 HydrophobicContact CZ-CG 4.26Å; F158-Y197 CarbonylContact O-C 3.58Å; F158-Y197 VanDerWaalsContact O-CA 3.29Å; F158-Y197 WeakPolarHBondContact O-CA 3.13Å; F158-S198 PolarHBondContact N-O 3.17Å; F158-S198 PolarHBondContact O-N 2.89Å; F158-L200 HydrophobicContact CD2-CB 4.05Å; F158-L200 HydrophobicContact CE2-CB 3.78Å; F158-L200 HydrophobicContact CE2-CD2 3.7Å; F158-L200 HydrophobicContact CE2-CG 4.4Å; F158-L200 HydrophobicContact CZ-CD2 4.13Å
159	R	95.6	Very high	96.3	Very high	68 Å²	68	68.3 Å²	68.3	26%	0.257	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.3	168	-177.3	-178	179.4	-178.5	2.7	108.2	G161 Q162 D195 Y197	R159-G161 PolarHBondContact O-N 3.38Å; R159-Q162 PolarHBondContact N-O 2.94Å; R159-Q162 PolarHBondContact O-N 3.08Å; R159-D195 IonicContact CZ-OD1 3.86Å; R159-D195 IonicContact CZ-OD2 3.94Å; R159-D195 IonicContact NE-OD1 3.51Å; R159-D195 PolarHBondContact NE-OD1 2.63Å; R159-D195 IonicContact NE-OD2 3.62Å; R159-D195 PolarHBondContact NE-OD2 3Å; R159-D195 IonicContact NH2-OD1 3.96Å; R159-D195 PolarHBondContact NH2-OD1 3.43Å; R159-D195 IonicContact NH2-OD2 3.63Å; R159-D195 PolarHBondContact NH2-OD2 2.79Å; R159-Y197 HydrophobicContact CB-CD1 4.15Å; R159-Y197 HydrophobicContact CB-CE1 4.07Å; R159-Y197 HydrophobicContact CG-CD1 4.17Å; R159-Y197 HydrophobicContact CG-CE1 3.75Å; R159-Y197 PolarHBondContact NE-OH 2.79Å
160	N	94.6	Very high	96.2	Very high	91 Å²	91	69.9 Å²	69.9	49%	0.487	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	35.7	179.5	-57.2	-32.7	0	0	0	113.3	D195 I196	N160-D195 PolarHBondContact ND2-OD1 2.87Å; N160-I196 PolarHBondContact N-O 3.49Å; N160-I196 PolarHBondContact OD1-N 2.76Å
161	G	93.2	Very high	96.1	Very high	64 Å²	64	71.8 Å²	71.8	66%	0.66	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-2.9	-180	0	0	0	0	0	115.9	R159	R159-G161 PolarHBondContact O-N 3.38Å
162	Q	96.4	Very high	96.1	Very high	155 Å²	155	72.7 Å²	72.7	72%	0.724	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.2	174.4	-64.8	-173	-18.1	0	0	110.7	F158 R159 E164	F158-Q162 CarbonylContact C-O 3.46Å; F158-Q162 WeakPolarHBondContact CA-O 3.39Å; R159-Q162 PolarHBondContact N-O 2.94Å; R159-Q162 PolarHBondContact O-N 3.08Å; Q162-E164 PolarHBondContact O-N 2.98Å
163	E	97.3	Very high	96.1	Very high	74 Å²	74	71 Å²	71	35%	0.346	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	125	179.2	-171.1	179.8	142.7	0	0	109.9	W157 F158 R165	W157-E163 WeakPolarHBondContact O-CA 3.08Å; F158-E163 HydrophobicContact CD1-CB 4.18Å; F158-E163 HydrophobicContact CE1-CB 3.8Å; F158-E163 HydrophobicContact CE1-CG 4.44Å; F158-E163 HydrophobicContact CZ-CB 4.11Å; F158-E163 HydrophobicContact CZ-CG 4.26Å; E163-R165 HydrophobicContact CG-CG 4.49Å; E163-R165 IonicContact OE1-CZ 3.34Å; E163-R165 IonicContact OE1-NE 2.81Å; E163-R165 PolarHBondContact OE1-NE 2.9Å; E163-R165 IonicContact OE1-NH2 3.44Å; E163-R165 PolarHBondContact OE1-NH2 3.45Å; E163-R165 IonicContact OE2-NH2 3.85Å
164	E	95.6	Very high	96.1	Very high	56 Å²	56	72.2 Å²	72.2	26%	0.262	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.6	178.7	-173.2	57.6	-92.7	0	0	109.7	W157 Q162 S166 V168 L187	W157-E164 HydrophobicContact CB-CB 4.26Å; W157-E164 PolarHBondContact O-N 2.75Å; Q162-E164 PolarHBondContact O-N 2.98Å; E164-S166 PolarHBondContact OE1-N 2.87Å; E164-V168 WeakPolarHBondContact O-CG2 3.45Å; E164-L187 HydrophobicContact CG-CD1 3.62Å; E164-L187 HydrophobicContact CG-CD2 4.41Å
165	R	95.2	Very high	96.1	Very high	184 Å²	184	77.9 Å²	77.9	69%	0.694	41%	0.414	S	S	*	.			trans	-126.7	-23.8	-179.5	-65.5	-174.6	174.1	-146.7	-0.7	112.2	E163	E163-R165 HydrophobicContact CG-CG 4.49Å; E163-R165 IonicContact OE1-CZ 3.34Å; E163-R165 IonicContact OE1-NE 2.81Å; E163-R165 PolarHBondContact OE1-NE 2.9Å; E163-R165 IonicContact OE1-NH2 3.44Å; E163-R165 PolarHBondContact OE1-NH2 3.45Å; E163-R165 IonicContact OE2-NH2 3.85Å
166	S	93.6	Very high	96	Very high	96 Å²	96	79.7 Å²	79.7	67%	0.671	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	135.5	177.7	-172.3	0	0	0	0	109.3	E164 V168	E164-S166 PolarHBondContact OE1-N 2.87Å; S166-V168 PolarHBondContact O-N 3.02Å
167	G	90.5	Very high	95.9	Very high	31 Å²	31	80 Å²	80	32%	0.32	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	10.2	-179.6	0	0	0	0	0	114.8	E188	G167-E188 PolarHBondContact O-N 3.46Å
168	V	96.2	Very high	95.8	Very high	51 Å²	51	84.6 Å²	84.6	31%	0.309	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.9	175.4	178.7	0	0	0	0	110.4	W157 E164 S166 V185 M186 L187	W157-V168 HydrophobicContact CB-CG2 4.24Å; W157-V168 HydrophobicContact CG-CG2 4.43Å; E164-V168 WeakPolarHBondContact O-CG2 3.45Å; S166-V168 PolarHBondContact O-N 3.02Å; V168-V185 HydrophobicContact CG1-CG1 3.58Å; V168-M186 CarbonylContact C-O 3.53Å; V168-M186 VanDerWaalsContact CA-O 3.31Å; V168-M186 WeakPolarHBondContact CA-O 3.34Å; V168-L187 HydrophobicContact CG2-CD1 3.73Å
169	M	95.6	Very high	95.7	Very high	127 Å²	127	89.3 Å²	89.3	63%	0.626	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.7	176.9	-61.3	-177.2	70.3	0	0	110.1	V185 M186	M169-V185 CarbonylContact O-C 3.58Å; M169-V185 WeakPolarHBondContact O-CA 3.43Å; M169-M186 HydrophobicContact CB-CB 4.43Å; M169-M186 HydrophobicContact CB-CE 3.96Å; M169-M186 PolarHBondContact N-O 3.09Å; M169-M186 PolarHBondContact O-N 2.99Å
170	S	96.2	Very high	95.8	Very high	68 Å²	68	87 Å²	87	48%	0.476	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.5	175.3	176.6	0	0	0	0	110.2	G172 T183 T184	S170-G172 PolarHBondContact O-N 3.38Å; S170-G172 PolarHBondContact OG-N 3.06Å; S170-T183 PolarHBondContact OG-OG1 3.46Å; S170-T184 WeakPolarHBondContact CA-O 3.1Å
171	T	95.5	Very high	96	Very high	69 Å²	69	83.3 Å²	83.3	42%	0.423	46%	0.457	S	S	.	.			trans	-69.9	-8.3	167.9	57.2	0	0	0	0	112.9	T184 M186	T171-T184 PolarHBondContact N-O 2.99Å; T171-T184 PolarHBondContact OG1-N 3.31Å; T171-T184 PolarHBondContact OG1-O 3.01Å; T171-M186 HydrophobicContact CG2-CE 3.94Å
172	G	96.3	Very high	96.2	Very high	32 Å²	32	83.3 Å²	83.3	33%	0.33	44%	0.44	S	S	.	.			trans	76.5	-175	-167.5	0	0	0	0	0	111.9	S170 T183	S170-G172 PolarHBondContact O-N 3.38Å; S170-G172 PolarHBondContact OG-N 3.06Å; G172-T183 VanDerWaalsContact O-CB 3.31Å; G172-T183 WeakPolarHBondContact O-CB 3.23Å; G172-T183 PolarHBondContact O-OG1 3.03Å
173	L	97.6	Very high	96.3	Very high	88 Å²	88	76.3 Å²	76.3	46%	0.461	41%	0.408	S	S	.	.			trans	-83.8	121.7	178.8	-172.5	72.1	0	0	0	110.2	F148 G151 F181	F148-L173 HydrophobicContact CE2-CD1 3.86Å; F148-L173 HydrophobicContact CZ-CD1 3.71Å; G151-L173 WeakPolarHBondContact O-CD1 3.42Å; L173-F181 HydrophobicContact CD1-CB 3.71Å; L173-F181 HydrophobicContact CD1-CD1 3.9Å; L173-F181 HydrophobicContact CD1-CG 3.97Å; L173-F181 HydrophobicContact CD2-CD1 3.71Å; L173-F181 HydrophobicContact CD2-CE1 3.83Å; L173-F181 HydrophobicContact CD2-CG 4.36Å; L173-F181 HydrophobicContact CG-CB 4.39Å; L173-F181 HydrophobicContact CG-CD1 3.66Å; L173-F181 HydrophobicContact CG-CE1 4.26Å; L173-F181 HydrophobicContact CG-CG 4.26Å
174	I	98.1	Very high	96.4	Very high	72 Å²	72	73.9 Å²	73.9	37%	0.369	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129	177.5	-58.7	170.2	0	0	0	108.7	F181 Q182	I174-F181 VanDerWaalsContact O-CA 3.26Å; I174-F181 WeakPolarHBondContact O-CA 3.34Å; I174-Q182 HydrophobicContact CB-CG 3.73Å; I174-Q182 HydrophobicContact CD1-CG 4.37Å; I174-Q182 HydrophobicContact CG2-CG 4.01Å; I174-Q182 PolarHBondContact N-O 3.48Å; I174-Q182 PolarHBondContact O-N 3.29Å
175	R	97.7	Very high	96.5	Very high	179 Å²	179	71.6 Å²	71.6	68%	0.675	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.7	175.6	-175.5	-174.3	-66	-99.1	0.5	109.8	F181	R175-F181 HydrophobicContact CB-CD1 4.11Å; R175-F181 HydrophobicContact CB-CE1 3.92Å; R175-F181 HydrophobicContact CG-CD1 4.46Å; R175-F181 HydrophobicContact CG-CE1 4.01Å
176	N	97.2	Very high	96.5	Very high	64 Å²	64	64.7 Å²	64.7	34%	0.342	36%	0.364	S	S	.	.			trans	-80.7	-18.7	-175.3	-65.4	-25	0	0	0	114	D178 T180 Q182	N176-D178 VanDerWaalsContact C-N 3.33Å; N176-D178 VanDerWaalsContact CB-OD1 3.23Å; N176-D178 WeakPolarHBondContact CB-OD1 3.47Å; N176-T180 PolarHBondContact N-O 2.82Å; N176-T180 VanDerWaalsContact N-O 3.11Å; N176-T180 PolarHBondContact ND2-OG1 3.32Å; N176-Q182 WeakPolarHBondContact OD1-CG 3.24Å; N176-Q182 PolarHBondContact OD1-NE2 3.33Å
177	G	95.9	Very high	96.6	Very high	65 Å²	65	60.2 Å²	60.2	67%	0.67	33%	0.333	S	S	*	.	S	Bend	trans	88.9	-5.3	-177	0	0	0	0	0	114.4
178	D	95.9	Very high	96.7	Very high	99 Å²	99	65 Å²	65	53%	0.529	35%	0.347	S	S	.	.	S	Bend	trans	-108.2	21.6	178.8	68	-8.3	0	0	0	113	N176 T180	N176-D178 VanDerWaalsContact C-N 3.33Å; N176-D178 VanDerWaalsContact CB-OD1 3.23Å; N176-D178 WeakPolarHBondContact CB-OD1 3.47Å; D178-T180 VanDerWaalsContact C-N 3.28Å; D178-T180 PolarHBondContact O-N 3.1Å; D178-T180 WeakPolarHBondContact OD1-CB 3.4Å; D178-T180 PolarHBondContact OD1-N 3.13Å; D178-T180 PolarHBondContact OD1-OG1 3.33Å; D178-T180 PolarHBondContact OD2-OG1 2.9Å
179	W	95.3	Very high	96.3	Very high	142 Å²	142	63.1 Å²	63.1	54%	0.538	34%	0.335	S	S	.	.	S	Bend	trans	65.9	24.3	-172.9	-62.3	69.5	0	0	0	114.9	T116 Y149	T116-W179 HydrophobicContact CG2-CH2 3.85Å; T116-W179 HydrophobicContact CG2-CZ3 3.86Å; Y149-W179 WeakPolarHBondContact CD2-O 3.41Å; Y149-W179 HydrophobicContact CE2-CE3 4.04Å
180	T	97.7	Very high	95.9	Very high	20 Å²	20	63.3 Å²	63.3	12%	0.123	34%	0.337	C	S	.	.			trans	-121.3	162.3	166	71.2	0	0	0	0	111.7	F148 N176 D178	F148-T180 CarbonylContact O-C 3.53Å; F148-T180 WeakPolarHBondContact O-CA 3.25Å; N176-T180 PolarHBondContact N-O 2.82Å; N176-T180 VanDerWaalsContact N-O 3.11Å; N176-T180 PolarHBondContact ND2-OG1 3.32Å; D178-T180 VanDerWaalsContact C-N 3.28Å; D178-T180 PolarHBondContact O-N 3.1Å; D178-T180 WeakPolarHBondContact OD1-CB 3.4Å; D178-T180 PolarHBondContact OD1-N 3.13Å; D178-T180 PolarHBondContact OD1-OG1 3.33Å; D178-T180 PolarHBondContact OD2-OG1 2.9Å
181	F	98.4	Very high	95.3	Very high	13 Å²	13	62.3 Å²	62.3	6%	0.057	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162.1	175	-62.9	-86.1	0	0	0	110.9	G147 F148 Y149 L173 I174 R175	G147-F181 PolarHBondContact N-O 2.98Å; G147-F181 VanDerWaalsContact N-O 3.08Å; F148-F181 WeakPolarHBondContact CD1-O 3.27Å; F148-F181 HydrophobicContact CD2-CB 4.09Å; F148-F181 HydrophobicContact CE1-CB 4.28Å; F148-F181 HydrophobicContact CE2-CB 3.68Å; F148-F181 HydrophobicContact CZ-CB 3.78Å; F148-F181 PolarHBondContact N-O 3.03Å; F148-F181 PolarHBondContact O-N 3.11Å; Y149-F181 AromaticContact CD2-CD2 3.99Å; Y149-F181 HydrophobicContact CD2-CD2 3.99Å; Y149-F181 AromaticContact CD2-CE2 3.53Å; Y149-F181 HydrophobicContact CD2-CE2 3.53Å; Y149-F181 AromaticContact CE2-CE2 3.79Å; Y149-F181 HydrophobicContact CE2-CE2 3.79Å; Y149-F181 HydrophobicContact CG-CE2 4.48Å; L173-F181 HydrophobicContact CD1-CB 3.71Å; L173-F181 HydrophobicContact CD1-CD1 3.9Å; L173-F181 HydrophobicContact CD1-CG 3.97Å; L173-F181 HydrophobicContact CD2-CD1 3.71Å; L173-F181 HydrophobicContact CD2-CE1 3.83Å; L173-F181 HydrophobicContact CD2-CG 4.36Å; L173-F181 HydrophobicContact CG-CB 4.39Å; L173-F181 HydrophobicContact CG-CD1 3.66Å; L173-F181 HydrophobicContact CG-CE1 4.26Å; L173-F181 HydrophobicContact CG-CG 4.26Å; I174-F181 VanDerWaalsContact O-CA 3.26Å; I174-F181 WeakPolarHBondContact O-CA 3.34Å; R175-F181 HydrophobicContact CB-CD1 4.11Å; R175-F181 HydrophobicContact CB-CE1 3.92Å; R175-F181 HydrophobicContact CG-CD1 4.46Å; R175-F181 HydrophobicContact CG-CE1 4.01Å
182	Q	98.4	Very high	94.8	Very high	65 Å²	65	65.1 Å²	65.1	30%	0.304	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.6	168.6	63.4	-178	-41.6	0	0	110.6	V145 T146 I174 N176	V145-Q182 CarbonylContact O-C 3.55Å; V145-Q182 VanDerWaalsContact O-CA 3.25Å; V145-Q182 WeakPolarHBondContact O-CA 3.01Å; T146-Q182 HydrophobicContact CG2-CB 4.06Å; I174-Q182 HydrophobicContact CB-CG 3.73Å; I174-Q182 HydrophobicContact CD1-CG 4.37Å; I174-Q182 HydrophobicContact CG2-CG 4.01Å; I174-Q182 PolarHBondContact N-O 3.48Å; I174-Q182 PolarHBondContact O-N 3.29Å; N176-Q182 WeakPolarHBondContact OD1-CG 3.24Å; N176-Q182 PolarHBondContact OD1-NE2 3.33Å
183	T	98.5	Very high	94.3	Very high	7 Å²	7	71.2 Å²	71.2	4%	0.043	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	147.9	170.6	-169.6	0	0	0	0	109.4	V145 F148 I153 V155 S170 G172	V145-T183 HydrophobicContact CB-CG2 4.09Å; V145-T183 PolarHBondContact N-O 2.92Å; V145-T183 PolarHBondContact O-N 3.48Å; F148-T183 HydrophobicContact CE1-CG2 4.3Å; F148-T183 HydrophobicContact CZ-CG2 4.18Å; I153-T183 HydrophobicContact CG2-CG2 4.37Å; V155-T183 HydrophobicContact CG2-CG2 4.36Å; S170-T183 PolarHBondContact OG-OG1 3.46Å; G172-T183 VanDerWaalsContact O-CB 3.31Å; G172-T183 WeakPolarHBondContact O-CB 3.23Å; G172-T183 PolarHBondContact O-OG1 3.03Å
184	T	98.3	Very high	93.7	Very high	23 Å²	23	69.3 Å²	69.3	14%	0.141	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.3	175	-56	0	0	0	0	108.5	L142 C143 S170 T171 M186	L142-T184 HydrophobicContact CB-CG2 4.16Å; L142-T184 HydrophobicContact CD2-CG2 4.13Å; L142-T184 HydrophobicContact CG-CG2 4.13Å; C143-T184 WeakPolarHBondContact O-CA 3.35Å; S170-T184 WeakPolarHBondContact CA-O 3.1Å; T171-T184 PolarHBondContact N-O 2.99Å; T171-T184 PolarHBondContact OG1-N 3.31Å; T171-T184 PolarHBondContact OG1-O 3.01Å; T184-M186 HydrophobicContact CG2-CG 4.26Å
185	V	98.1	Very high	93.4	Very high	8 Å²	8	66.3 Å²	66.3	5%	0.048	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.7	174.3	-173.1	0	0	0	0	108.8	C143 V155 W157 V168 M169	C143-V185 PolarHBondContact N-O 3.02Å; C143-V185 PolarHBondContact O-N 3.32Å; V155-V185 HydrophobicContact CB-CG2 3.74Å; V155-V185 HydrophobicContact CG1-CB 3.88Å; V155-V185 HydrophobicContact CG1-CG1 4.49Å; V155-V185 HydrophobicContact CG1-CG2 3.53Å; V155-V185 HydrophobicContact CG2-CG2 4.41Å; W157-V185 PolarHBondContact NE1-O 3.25Å; W157-V185 VanDerWaalsContact NE1-O 3.14Å; V168-V185 HydrophobicContact CG1-CG1 3.58Å; M169-V185 CarbonylContact O-C 3.58Å; M169-V185 WeakPolarHBondContact O-CA 3.43Å
186	M	95.9	Very high	93.2	Very high	39 Å²	39	61.2 Å²	61.2	19%	0.192	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	144.2	-178.3	-63.8	155.2	-71.5	0	0	109.9	L140 L141 L142 V168 M169 T171 T184	L140-M186 HydrophobicContact CD1-CB 4.03Å; L140-M186 HydrophobicContact CD2-CG 4.37Å; L140-M186 HydrophobicContact CG-CB 4.34Å; L141-M186 CarbonylContact O-C 3.53Å; L141-M186 VanDerWaalsContact O-CA 3.32Å; L141-M186 WeakPolarHBondContact O-CA 3.23Å; L142-M186 HydrophobicContact CD1-CG 4.48Å; L142-M186 HydrophobicContact CG-CG 4.03Å; V168-M186 CarbonylContact C-O 3.53Å; V168-M186 VanDerWaalsContact CA-O 3.31Å; V168-M186 WeakPolarHBondContact CA-O 3.34Å; M169-M186 HydrophobicContact CB-CB 4.43Å; M169-M186 HydrophobicContact CB-CE 3.96Å; M169-M186 PolarHBondContact N-O 3.09Å; M169-M186 PolarHBondContact O-N 2.99Å; T171-M186 HydrophobicContact CG2-CE 3.94Å; T184-M186 HydrophobicContact CG2-CG 4.26Å
187	L	95.5	Very high	93.2	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.9	171.9	172	65.3	0	0	0	109.2	L140 L141 W157 E164 V168 M189 Y197	L140-L187 WeakPolarHBondContact CA-O 3.26Å; L141-L187 HydrophobicContact CB-CB 4.49Å; L141-L187 PolarHBondContact N-O 2.9Å; L141-L187 PolarHBondContact O-N 3.49Å; W157-L187 HydrophobicContact CB-CD2 4.29Å; W157-L187 HydrophobicContact CD2-CB 4.03Å; W157-L187 HydrophobicContact CD2-CD2 4.08Å; W157-L187 HydrophobicContact CE3-CD2 4.23Å; W157-L187 HydrophobicContact CG-CB 4.01Å; W157-L187 HydrophobicContact CG-CD2 4.13Å; W157-L187 HydrophobicContact CZ2-CB 4.39Å; E164-L187 HydrophobicContact CG-CD1 3.62Å; E164-L187 HydrophobicContact CG-CD2 4.41Å; V168-L187 HydrophobicContact CG2-CD1 3.73Å; L187-M189 HydrophobicContact CG-CB 4.34Å; L187-Y197 HydrophobicContact CD2-CD1 3.56Å; L187-Y197 HydrophobicContact CD2-CE1 3.9Å
188	E	92.3	Very high	93.2	Very high	133 Å²	133	56.3 Å²	56.3	62%	0.621	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	125.6	166	-170.3	177.1	-171	0	0	109.3	N139 L140 G167	N139-E188 CarbonylContact O-C 3.56Å; N139-E188 VanDerWaalsContact O-CA 3.29Å; N139-E188 WeakPolarHBondContact O-CA 3.49Å; L140-E188 HydrophobicContact CD1-CB 4.48Å; G167-E188 PolarHBondContact O-N 3.46Å
189	M	88	Confident	93.3	Very high	11 Å²	11	51.6 Å²	51.6	5%	0.054	26%	0.264	C	S	.	.			trans	-147.3	159.4	-173.9	60.7	120.6	179.9	0	0	112.1	H138 N139 L141 L187 P191 Y197 W214	H138-M189 VanDerWaalsContact O-CE 3.26Å; H138-M189 WeakPolarHBondContact O-CE 3.25Å; N139-M189 CarbonylContact C-O 3.49Å; N139-M189 WeakPolarHBondContact CA-O 3.4Å; N139-M189 PolarHBondContact O-N 3.39Å; L141-M189 HydrophobicContact CB-CE 4.09Å; L141-M189 HydrophobicContact CB-CG 4.43Å; L141-M189 HydrophobicContact CD1-CE 4.32Å; L187-M189 HydrophobicContact CG-CB 4.34Å; M189-P191 HydrophobicContact CE-CB 4.24Å; M189-P191 HydrophobicContact CE-CG 4.11Å; M189-P191 HydrophobicContact SD-CB 3.63Å; M189-P191 HydrophobicContact SD-CG 3.84Å; M189-Y197 HydrophobicContact CB-CE1 3.97Å; M189-Y197 HydrophobicContact CG-CE1 4.49Å; M189-Y197 HydrophobicContact SD-CD2 4.4Å; M189-Y197 HydrophobicContact SD-CE1 4.32Å; M189-Y197 HydrophobicContact SD-CE2 3.83Å; M189-W214 HydrophobicContact CE-CE3 4.39Å; M189-W214 HydrophobicContact CE-CH2 3.67Å; M189-W214 HydrophobicContact CE-CZ3 3.59Å; M189-W214 HydrophobicContact SD-CZ3 4.09Å
190	I	86.3	Confident	93.5	Very high	130 Å²	130	46.5 Å²	46.5	67%	0.667	25%	0.247	S	C	*	.			trans	-122.2	98.9	168.6	-59.4	173.2	0	0	0	105.3	E192	I190-E192 PolarHBondContact O-N 2.85Å
191	P	84.3	Confident	93.5	Very high	47 Å²	47	45.5 Å²	45.5	31%	0.305	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-71.4	126.4	-169.3	23.9	-29.7	0	0	0	111.7	M189 W214 A216	M189-P191 HydrophobicContact CE-CB 4.24Å; M189-P191 HydrophobicContact CE-CG 4.11Å; M189-P191 HydrophobicContact SD-CB 3.63Å; M189-P191 HydrophobicContact SD-CG 3.84Å; P191-W214 HydrophobicContact CB-CH2 4.2Å; P191-W214 HydrophobicContact CB-CZ3 4.27Å; P191-A216 HydrophobicContact CB-CB 3.67Å
192	E	84.9	Confident	93.6	Very high	129 Å²	129	48.4 Å²	48.4	60%	0.603	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-96.3	150.6	169.2	-62.6	-175.3	-176.1	0	0	110.9	I190 G194 D195 A216	I190-E192 PolarHBondContact O-N 2.85Å; E192-G194 PolarHBondContact O-N 3.02Å; E192-G194 VanDerWaalsContact O-N 3.13Å; E192-D195 WeakPolarHBondContact CB-OD2 3.35Å; E192-D195 PolarHBondContact N-OD2 3.11Å; E192-D195 WeakPolarHBondContact O-CB 3.24Å; E192-D195 PolarHBondContact O-N 3.47Å; E192-A216 WeakPolarHBondContact O-CB 3.11Å
193	H	85.3	Confident	93.6	Very high	159 Å²	159	45.9 Å²	45.9	74%	0.736	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	120.6	-178.9	175	-80.9	0	0	0	111.2
194	G	86.1	Confident	93.5	Very high	49 Å²	49	49.3 Å²	49.3	51%	0.505	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-2.7	-179.1	0	0	0	0	0	114.4	E192 A216	E192-G194 PolarHBondContact O-N 3.02Å; E192-G194 VanDerWaalsContact O-N 3.13Å; G194-A216 PolarHBondContact N-O 3.34Å
195	D	91.5	Very high	93.4	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.048	27%	0.27	C	S	.	.			trans	-59.6	138.7	168.1	-84.3	-31.5	0	0	0	110.9	R159 N160 E192 Y197 M215 A216	R159-D195 IonicContact CZ-OD1 3.86Å; R159-D195 IonicContact CZ-OD2 3.94Å; R159-D195 IonicContact NE-OD1 3.51Å; R159-D195 PolarHBondContact NE-OD1 2.63Å; R159-D195 IonicContact NE-OD2 3.62Å; R159-D195 PolarHBondContact NE-OD2 3Å; R159-D195 IonicContact NH2-OD1 3.96Å; R159-D195 PolarHBondContact NH2-OD1 3.43Å; R159-D195 IonicContact NH2-OD2 3.63Å; R159-D195 PolarHBondContact NH2-OD2 2.79Å; N160-D195 PolarHBondContact ND2-OD1 2.87Å; E192-D195 WeakPolarHBondContact CB-OD2 3.35Å; E192-D195 PolarHBondContact N-OD2 3.11Å; E192-D195 WeakPolarHBondContact O-CB 3.24Å; E192-D195 PolarHBondContact O-N 3.47Å; D195-Y197 HydrophobicContact CB-CD2 4.18Å; D195-Y197 HydrophobicContact CB-CE2 3.51Å; D195-Y197 PolarHBondContact OD2-OH 3.46Å; D195-M215 WeakPolarHBondContact O-CA 3.3Å; D195-A216 HydrophobicContact CB-CB 3.92Å; D195-A216 PolarHBondContact O-N 2.98Å
196	I	94.3	Very high	93.3	Very high	72 Å²	72	50.7 Å²	50.7	37%	0.369	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	113.3	173.7	-49.6	-175.5	0	0	0	108.2	N160 A213 M215	N160-I196 PolarHBondContact N-O 3.49Å; N160-I196 PolarHBondContact OD1-N 2.76Å; I196-A213 HydrophobicContact CG2-CB 4.16Å; I196-M215 HydrophobicContact CG1-CG 4.16Å; I196-M215 HydrophobicContact CG2-CG 4.39Å
197	Y	95.6	Very high	93.4	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.7	172.1	-63.6	-92.6	0	0	0	108.8	L141 F158 R159 L187 M189 D195 A213 W214	L141-Y197 VanDerWaalsContact CD2-CB 3.44Å; L141-Y197 HydrophobicContact CD2-CD1 4.47Å; L141-Y197 HydrophobicContact CD2-CG 3.92Å; F158-Y197 CarbonylContact O-C 3.58Å; F158-Y197 VanDerWaalsContact O-CA 3.29Å; F158-Y197 WeakPolarHBondContact O-CA 3.13Å; R159-Y197 HydrophobicContact CB-CD1 4.15Å; R159-Y197 HydrophobicContact CB-CE1 4.07Å; R159-Y197 HydrophobicContact CG-CD1 4.17Å; R159-Y197 HydrophobicContact CG-CE1 3.75Å; R159-Y197 PolarHBondContact NE-OH 2.79Å; L187-Y197 HydrophobicContact CD2-CD1 3.56Å; L187-Y197 HydrophobicContact CD2-CE1 3.9Å; M189-Y197 HydrophobicContact CB-CE1 3.97Å; M189-Y197 HydrophobicContact CG-CE1 4.49Å; M189-Y197 HydrophobicContact SD-CD2 4.4Å; M189-Y197 HydrophobicContact SD-CE1 4.32Å; M189-Y197 HydrophobicContact SD-CE2 3.83Å; D195-Y197 HydrophobicContact CB-CD2 4.18Å; D195-Y197 HydrophobicContact CB-CE2 3.51Å; D195-Y197 PolarHBondContact OD2-OH 3.46Å; Y197-A213 CarbonylContact O-C 3.53Å; Y197-A213 VanDerWaalsContact O-CA 3.28Å; Y197-A213 WeakPolarHBondContact O-CA 3.44Å; Y197-W214 AromaticContact CD2-CE3 3.71Å; Y197-W214 HydrophobicContact CD2-CE3 3.71Å; Y197-W214 AromaticContact CD2-CZ3 3.78Å; Y197-W214 HydrophobicContact CD2-CZ3 3.78Å; Y197-W214 HydrophobicContact CE2-CE3 4.49Å; Y197-W214 HydrophobicContact CE2-CZ3 4.11Å; Y197-W214 HydrophobicContact CG-CE3 4.38Å; Y197-W214 PolarHBondContact N-O 3.42Å; Y197-W214 PolarHBondContact O-N 2.81Å
198	S	97.5	Very high	93.4	Very high	23 Å²	23	67.2 Å²	67.2	16%	0.161	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.6	179.9	-61.2	0	0	0	0	110.8	F158 V212	F158-S198 PolarHBondContact N-O 3.17Å; F158-S198 PolarHBondContact O-N 2.89Å; S198-V212 WeakPolarHBondContact CA-O 3.49Å
199	C	98.2	Very high	93.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.8	171	-178.1	0	0	0	0	109	V127 C143 V155 K156 W157 S211 V212	V127-C199 HydrophobicContact CG2-CB 3.66Å; C143-C199 HydrophobicContact CB-CB 3.58Å; C143-C199 WeakPolarHBondContact CB-SG 3.42Å; C143-C199 WeakPolarHBondContact SG-CB 3.47Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 2.97Å; V155-C199 VanDerWaalsContact CG1-SG 3.56Å; K156-C199 WeakPolarHBondContact O-CA 3.2Å; W157-C199 HydrophobicContact CE3-CB 4.17Å; W157-C199 HydrophobicContact CH2-CB 3.96Å; W157-C199 HydrophobicContact CZ2-CB 4.38Å; W157-C199 HydrophobicContact CZ3-CB 3.84Å; C199-S211 VanDerWaalsContact O-CA 3.3Å; C199-S211 WeakPolarHBondContact O-CA 3.22Å; C199-V212 PolarHBondContact N-O 3.33Å; C199-V212 PolarHBondContact O-N 2.75Å
200	L	98.6	Very high	94.2	Very high	35 Å²	35	66 Å²	66	18%	0.183	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125	176.2	-175.7	73	0	0	0	109.4	V155 K156 F158 P209 V210	V155-L200 CarbonylContact C-O 3.51Å; V155-L200 WeakPolarHBondContact CA-O 3.35Å; K156-L200 HydrophobicContact CB-CB 4.5Å; K156-L200 PolarHBondContact N-O 3.4Å; K156-L200 PolarHBondContact O-N 3.14Å; F158-L200 HydrophobicContact CD2-CB 4.05Å; F158-L200 HydrophobicContact CE2-CB 3.78Å; F158-L200 HydrophobicContact CE2-CD2 3.7Å; F158-L200 HydrophobicContact CE2-CG 4.4Å; F158-L200 HydrophobicContact CZ-CD2 4.13Å; L200-P209 HydrophobicContact CD1-CB 3.72Å; L200-P209 HydrophobicContact CG-CB 4.35Å; L200-V210 CarbonylContact C-O 3.58Å; L200-V210 WeakPolarHBondContact CA-O 3.36Å
201	V	98.6	Very high	94.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.3	-179.5	-179.1	0	0	0	0	109.7	P123 V125 V145 I153 N154 V155 L206 P209 V210	P123-V201 HydrophobicContact CG-CG1 3.96Å; V125-V201 HydrophobicContact CG1-CG2 3.88Å; V125-V201 HydrophobicContact CG2-CB 4.06Å; V125-V201 HydrophobicContact CG2-CG1 4.27Å; V125-V201 HydrophobicContact CG2-CG2 3.74Å; V145-V201 HydrophobicContact CG1-CG1 4.12Å; V145-V201 HydrophobicContact CG2-CG2 3.91Å; I153-V201 HydrophobicContact CD1-CG1 3.84Å; I153-V201 HydrophobicContact CG1-CG1 4.1Å; N154-V201 WeakPolarHBondContact O-CA 3.06Å; V155-V201 HydrophobicContact CG1-CG2 4.21Å; V155-V201 HydrophobicContact CG2-CG1 4.4Å; V155-V201 HydrophobicContact CG2-CG2 4.26Å; V201-L206 HydrophobicContact CG1-CD1 4.39Å; V201-P209 WeakPolarHBondContact O-CA 3.33Å; V201-V210 PolarHBondContact N-O 3.45Å; V201-V210 PolarHBondContact O-N 2.94Å
202	E	98.6	Very high	95.3	Very high	74 Å²	74	63 Å²	63	35%	0.346	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.8	173.1	-56.2	175.1	164	0	0	108.6	I153 N154 P209	I153-E202 WeakPolarHBondContact CG1-O 3.47Å; N154-E202 HydrophobicContact CB-CB 4.21Å; N154-E202 PolarHBondContact N-O 3.36Å; N154-E202 PolarHBondContact ND2-OE2 3.3Å; N154-E202 PolarHBondContact O-N 2.84Å; E202-P209 HydrophobicContact CG-CB 3.94Å; E202-P209 HydrophobicContact CG-CG 3.94Å
203	H	98.5	Very high	95.8	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.056	34%	0.339	C	S	.	.			trans	-151.4	142.5	-176.3	-178.8	-95.3	0	0	0	109.6	V121 P123 F148 Y149 P150 D152 I153 G205 L206	V121-H203 PolarHBondContact O-CE1 3.28Å; V121-H203 VanDerWaalsContact O-CE1 3.29Å; P123-H203 HydrophobicContact CG-CB 4.18Å; F148-H203 AromaticContact CD2-CD2 3.78Å; F148-H203 AromaticContact CD2-NE2 3.62Å; Y149-H203 PolarHBondContact O-CE1 2.89Å; P150-H203 PolarHBondContact O-NE2 2.03Å; D152-H203 PolarHBondContact O-CD2 3Å; I153-H203 HydrophobicContact CD1-CB 4.39Å; I153-H203 HydrophobicContact CG1-CB 4.2Å; H203-G205 PolarHBondContact CE1-N 3.03Å; H203-G205 WeakPolarHBondContact ND1-CA 3.34Å; H203-G205 PolarHBondContact ND1-N 2.99Å; H203-G205 PolarHBondContact O-N 3.37Å; H203-G205 VanDerWaalsContact O-N 3.12Å; H203-L206 HydrophobicContact CB-CD1 4.01Å; H203-L206 HydrophobicContact CB-CG 4.19Å; H203-L206 WeakPolarHBondContact O-CB 3.39Å; H203-L206 PolarHBondContact O-N 2.83Å
204	P	97.1	Very high	96.3	Very high	79 Å²	79	54.6 Å²	54.6	51%	0.513	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.2	179.7	-27.9	36.2	0	0	0	115.2	P150 D152 L206	P150-P204 HydrophobicContact CG-CG 4.34Å; D152-P204 WeakPolarHBondContact O-CD 3.42Å; P204-L206 VanDerWaalsContact C-N 3.26Å; P204-L206 PolarHBondContact O-N 2.78Å
205	G	95.4	Very high	96.5	Very high	24 Å²	24	57.2 Å²	57.2	25%	0.247	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.8	175	0	0	0	0	0	114.7	H203	H203-G205 PolarHBondContact CE1-N 3.03Å; H203-G205 WeakPolarHBondContact ND1-CA 3.34Å; H203-G205 PolarHBondContact ND1-N 2.99Å; H203-G205 PolarHBondContact O-N 3.37Å; H203-G205 VanDerWaalsContact O-N 3.12Å
206	L	97.5	Very high	96.2	Very high	35 Å²	35	57.1 Å²	57.1	18%	0.183	31%	0.313	C	S	.	.			trans	-102	132.7	177.2	-62.8	172.2	0	0	0	110.8	P122 P123 V201 H203 P204 R208 V210	P122-L206 HydrophobicContact CB-CD2 3.79Å; P123-L206 HydrophobicContact CG-CD1 3.87Å; P123-L206 HydrophobicContact CG-CD2 4.44Å; P123-L206 HydrophobicContact CG-CG 4.24Å; V201-L206 HydrophobicContact CG1-CD1 4.39Å; H203-L206 HydrophobicContact CB-CD1 4.01Å; H203-L206 HydrophobicContact CB-CG 4.19Å; H203-L206 WeakPolarHBondContact O-CB 3.39Å; H203-L206 PolarHBondContact O-N 2.83Å; P204-L206 VanDerWaalsContact C-N 3.26Å; P204-L206 PolarHBondContact O-N 2.78Å; L206-R208 WeakPolarHBondContact CB-O 3.43Å; L206-R208 PolarHBondContact O-N 3.29Å; L206-V210 HydrophobicContact CD1-CB 4.17Å; L206-V210 HydrophobicContact CD1-CG2 3.82Å; L206-V210 HydrophobicContact CD2-CG2 3.82Å; L206-V210 HydrophobicContact CG-CG2 4.4Å
207	L	96.4	Very high	95.2	Very high	186 Å²	186	60.9 Å²	60.9	97%	0.974	33%	0.33	S	S	*	.	S	Bend	trans	-65.4	-29.3	173.5	-68	175.5	0	0	0	112.9
208	R	97.1	Very high	93.2	Very high	203 Å²	203	63.6 Å²	63.6	77%	0.766	35%	0.349	S	S	*	.	S	Bend	trans	-148.2	154.5	178	57.9	179.5	136.1	169	-3.8	109.1	L206 V210	L206-R208 WeakPolarHBondContact CB-O 3.43Å; L206-R208 PolarHBondContact O-N 3.29Å; R208-V210 PolarHBondContact O-N 2.86Å
209	P	97.7	Very high	91.1	Very high	68 Å²	68	70.6 Å²	70.6	44%	0.442	38%	0.379	S	S	.	.			trans	-54.2	138.4	175.3	-24.6	34.5	0	0	0	111.4	L200 V201 E202	L200-P209 HydrophobicContact CD1-CB 3.72Å; L200-P209 HydrophobicContact CG-CB 4.35Å; V201-P209 WeakPolarHBondContact O-CA 3.33Å; E202-P209 HydrophobicContact CG-CB 3.94Å; E202-P209 HydrophobicContact CG-CG 3.94Å
210	V	98	Very high	89	Confident	51 Å²	51	78.2 Å²	78.2	31%	0.309	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131	175.2	168.4	0	0	0	0	108.1	V125 L200 V201 L206 R208 V212	V125-V210 HydrophobicContact CB-CG1 4.47Å; V125-V210 HydrophobicContact CG2-CG1 4.27Å; L200-V210 CarbonylContact C-O 3.58Å; L200-V210 WeakPolarHBondContact CA-O 3.36Å; V201-V210 PolarHBondContact N-O 3.45Å; V201-V210 PolarHBondContact O-N 2.94Å; L206-V210 HydrophobicContact CD1-CB 4.17Å; L206-V210 HydrophobicContact CD1-CG2 3.82Å; L206-V210 HydrophobicContact CD2-CG2 3.82Å; L206-V210 HydrophobicContact CG-CG2 4.4Å; R208-V210 PolarHBondContact O-N 2.86Å; V210-V212 HydrophobicContact CG1-CG2 4.13Å
211	S	97.3	Very high	86.9	Confident	70 Å²	70	78.8 Å²	78.8	49%	0.49	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.6	174.7	-168.6	0	0	0	0	109.9	C199	C199-S211 VanDerWaalsContact O-CA 3.3Å; C199-S211 WeakPolarHBondContact O-CA 3.22Å
212	V	97.7	Very high	85.1	Confident	42 Å²	42	87.3 Å²	87.3	26%	0.255	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.6	176.6	-178.7	0	0	0	0	108.4	V125 V127 S198 C199 V210	V125-V212 HydrophobicContact CB-CG2 3.9Å; V125-V212 HydrophobicContact CG1-CB 4.22Å; V125-V212 HydrophobicContact CG1-CG2 3.64Å; V127-V212 HydrophobicContact CB-CG1 3.98Å; V127-V212 HydrophobicContact CG2-CB 3.85Å; V127-V212 HydrophobicContact CG2-CG1 3.74Å; S198-V212 WeakPolarHBondContact CA-O 3.49Å; C199-V212 PolarHBondContact N-O 3.33Å; C199-V212 PolarHBondContact O-N 2.75Å; V210-V212 HydrophobicContact CG1-CG2 4.13Å
213	A	95.8	Very high	83.4	Confident	64 Å²	64	92.5 Å²	92.5	53%	0.529	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.6	-177.9	0	0	0	0	0	112	I196 Y197	I196-A213 HydrophobicContact CG2-CB 4.16Å; Y197-A213 CarbonylContact O-C 3.53Å; Y197-A213 VanDerWaalsContact O-CA 3.28Å; Y197-A213 WeakPolarHBondContact O-CA 3.44Å
214	W	93.9	Very high	81.9	Confident	48 Å²	48	99.8 Å²	99.8	18%	0.182	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.9	168.5	179.5	89.6	0	0	0	108.7	V127 P129 L141 M189 P191 Y197 A216	V127-W214 HydrophobicContact CG1-CB 3.64Å; V127-W214 HydrophobicContact CG1-CG 4.33Å; P129-W214 HydrophobicContact CB-CZ2 4.18Å; P129-W214 HydrophobicContact CG-CZ2 4.17Å; L141-W214 HydrophobicContact CD1-CB 4.28Å; L141-W214 HydrophobicContact CD1-CD2 3.66Å; L141-W214 HydrophobicContact CD1-CE3 3.94Å; L141-W214 HydrophobicContact CD1-CG 3.8Å; L141-W214 HydrophobicContact CD2-CB 4.22Å; L141-W214 HydrophobicContact CD2-CD2 4.31Å; L141-W214 HydrophobicContact CD2-CE3 3.97Å; L141-W214 HydrophobicContact CD2-CG 4.44Å; M189-W214 HydrophobicContact CE-CE3 4.39Å; M189-W214 HydrophobicContact CE-CH2 3.67Å; M189-W214 HydrophobicContact CE-CZ3 3.59Å; M189-W214 HydrophobicContact SD-CZ3 4.09Å; P191-W214 HydrophobicContact CB-CH2 4.2Å; P191-W214 HydrophobicContact CB-CZ3 4.27Å; Y197-W214 AromaticContact CD2-CE3 3.71Å; Y197-W214 HydrophobicContact CD2-CE3 3.71Å; Y197-W214 AromaticContact CD2-CZ3 3.78Å; Y197-W214 HydrophobicContact CD2-CZ3 3.78Å; Y197-W214 HydrophobicContact CE2-CE3 4.49Å; Y197-W214 HydrophobicContact CE2-CZ3 4.11Å; Y197-W214 HydrophobicContact CG-CE3 4.38Å; Y197-W214 PolarHBondContact N-O 3.42Å; Y197-W214 PolarHBondContact O-N 2.81Å; W214-A216 HydrophobicContact CH2-CB 4.12Å; W214-A216 HydrophobicContact CZ3-CB 3.88Å
215	M	90.8	Very high	80.6	Confident	104 Å²	104	99.8 Å²	99.8	51%	0.512	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.5	178.2	-65.6	-179	-73	0	0	109.2	D195 I196 Q217	D195-M215 WeakPolarHBondContact O-CA 3.3Å; I196-M215 HydrophobicContact CG1-CG 4.16Å; I196-M215 HydrophobicContact CG2-CG 4.39Å; M215-Q217 HydrophobicContact CB-CG 4.47Å; M215-Q217 PolarHBondContact O-N 2.72Å
216	A	85.7	Confident	79.7	Confident	7 Å²	7	103.9 Å²	103.9	6%	0.058	51%	0.511	C	S	.	.			trans	-66.7	84.6	168.3	0	0	0	0	0	109.3	P191 E192 G194 D195 W214	P191-A216 HydrophobicContact CB-CB 3.67Å; E192-A216 WeakPolarHBondContact O-CB 3.11Å; G194-A216 PolarHBondContact N-O 3.34Å; D195-A216 HydrophobicContact CB-CB 3.92Å; D195-A216 PolarHBondContact O-N 2.98Å; W214-A216 HydrophobicContact CH2-CB 4.12Å; W214-A216 HydrophobicContact CZ3-CB 3.88Å
217	Q	73.1	Confident	79	Confident	152 Å²	152	106 Å²	106	71%	0.71	53%	0.529	S	S	*	.			trans	-78	127.9	168.7	-65.2	-176.1	-7.5	0	0	107.1	M215 E219	M215-Q217 HydrophobicContact CB-CG 4.47Å; M215-Q217 PolarHBondContact O-N 2.72Å; Q217-E219 PolarHBondContact O-N 3.37Å
218	S	53.3	Low	78.4	Confident	58 Å²	58	99 Å²	99	41%	0.406	50%	0.502	S	S	.	.			trans	-59.4	138.9	155.9	50.3	0	0	0	0	106.4	Y220	S218-Y220 PolarHBondContact O-N 3.14Å; S218-Y220 WeakPolarHBondContact OG-CB 3.3Å
219	E	53.7	Low	78	Confident	170 Å²	170	91.7 Å²	91.7	79%	0.794	49%	0.485	S	S	*	.			trans	-65.5	57.4	156.8	-74.2	-165.9	165	0	0	108.4	Q217 S221	Q217-E219 PolarHBondContact O-N 3.37Å; E219-S221 PolarHBondContact O-N 3.39Å
220	Y	53.9	Low	77.5	Confident	161 Å²	161	91 Å²	91	63%	0.631	49%	0.485	S	S	*	.			trans	-70.4	88.6	167.4	-153.4	-105.1	0	0	0	105.1	S218 W222 I225	S218-Y220 PolarHBondContact O-N 3.14Å; S218-Y220 WeakPolarHBondContact OG-CB 3.3Å; Y220-W222 PolarHBondContact O-N 2.88Å; Y220-I225 HydrophobicContact CD1-CD1 3.8Å; Y220-I225 HydrophobicContact CE1-CD1 3.07Å; Y220-I225 HydrophobicContact CE2-CD1 4.06Å; Y220-I225 VanDerWaalsContact OH-CD1 3.31Å; Y220-I225 WeakPolarHBondContact OH-CD1 3.45Å
221	S	55.8	Low	77.1	Confident	46 Å²	46	91.4 Å²	91.4	32%	0.322	49%	0.494	S	S	.	.			trans	-67.5	84.6	179.6	-168.7	0	0	0	0	108	E219 K223 K224 I225	E219-S221 PolarHBondContact O-N 3.39Å; S221-K223 PolarHBondContact O-N 3.32Å; S221-K223 VanDerWaalsContact O-N 3.11Å; S221-K224 WeakPolarHBondContact O-CA 3.25Å; S221-K224 PolarHBondContact O-N 3.38Å; S221-K224 WeakPolarHBondContact OG-CG 3.25Å; S221-K224 PolarHBondContact OG-N 3.03Å; S221-I225 PolarHBondContact O-N 2.9Å; S221-I225 VanDerWaalsContact O-N 3.1Å
222	W	60.6	Low	76.9	Confident	180 Å²	180	94.7 Å²	94.7	68%	0.682	50%	0.5	S	S	*	.	H	α-helix	trans	-51.2	-33.1	168.6	-165.7	-80.3	0	0	0	109.7	Y220 K224 I225 L226	Y220-W222 PolarHBondContact O-N 2.88Å; W222-K224 PolarHBondContact O-N 3.5Å; W222-I225 PolarHBondContact O-N 2.92Å; W222-L226 VanDerWaalsContact O-CB 3.31Å; W222-L226 WeakPolarHBondContact O-CB 3.45Å; W222-L226 PolarHBondContact O-N 3.37Å
223	K	61.5	Low	76.8	Confident	183 Å²	183	97.9 Å²	97.9	80%	0.796	52%	0.515	S	S	*	.	H	α-helix	trans	-58.2	-40.9	171.4	-67.1	-176	178.3	179.8	0	113.2	S221 S227	S221-K223 PolarHBondContact O-N 3.32Å; S221-K223 VanDerWaalsContact O-N 3.11Å; K223-S227 WeakPolarHBondContact O-CB 3.36Å; K223-S227 PolarHBondContact O-N 2.76Å
224	K	67	Low	76.7	Confident	165 Å²	165	100.3 Å²	100.3	72%	0.717	52%	0.518	S	S	*	.	H	α-helix	trans	-74.7	-36.4	176.5	-73.3	-174.1	-179.6	-175.9	0	112.8	S221 W222 S227 G228	S221-K224 WeakPolarHBondContact O-CA 3.25Å; S221-K224 PolarHBondContact O-N 3.38Å; S221-K224 WeakPolarHBondContact OG-CG 3.25Å; S221-K224 PolarHBondContact OG-N 3.03Å; W222-K224 PolarHBondContact O-N 3.5Å; K224-S227 PolarHBondContact O-N 2.77Å; K224-G228 PolarHBondContact O-N 3.13Å
225	I	69.7	Low	76.7	Confident	79 Å²	79	100 Å²	100	41%	0.405	53%	0.53	S	S	.	.	H	α-helix	trans	-71.3	-41	177.5	-65.7	169.9	0	0	0	111.1	Y220 S221 W222 S227 G228 A229	Y220-I225 HydrophobicContact CD1-CD1 3.8Å; Y220-I225 HydrophobicContact CE1-CD1 3.07Å; Y220-I225 HydrophobicContact CE2-CD1 4.06Å; Y220-I225 VanDerWaalsContact OH-CD1 3.31Å; Y220-I225 WeakPolarHBondContact OH-CD1 3.45Å; S221-I225 PolarHBondContact O-N 2.9Å; S221-I225 VanDerWaalsContact O-N 3.1Å; W222-I225 PolarHBondContact O-N 2.92Å; I225-S227 VanDerWaalsContact C-N 3.3Å; I225-S227 PolarHBondContact O-N 2.83Å; I225-G228 PolarHBondContact O-N 2.86Å; I225-A229 WeakPolarHBondContact O-CB 3.4Å; I225-A229 PolarHBondContact O-N 2.94Å
226	L	78.1	Confident	77	Confident	109 Å²	109	98.5 Å²	98.5	57%	0.571	52%	0.523	S	S	*	.	H	α-helix	trans	-62.5	-40.2	175.3	-140.7	79.4	0	0	0	111.1	W222 A230	W222-L226 VanDerWaalsContact O-CB 3.31Å; W222-L226 WeakPolarHBondContact O-CB 3.45Å; W222-L226 PolarHBondContact O-N 3.37Å; L226-A230 VanDerWaalsContact O-CB 3.32Å; L226-A230 WeakPolarHBondContact O-CB 3.07Å; L226-A230 PolarHBondContact O-N 2.78Å
227	S	81.6	Confident	77.4	Confident	80 Å²	80	103 Å²	103	56%	0.559	55%	0.545	S	S	*	.	H	α-helix	trans	-64.6	-41.2	173.9	-174.3	0	0	0	0	112.1	K223 K224 I225 A231	K223-S227 WeakPolarHBondContact O-CB 3.36Å; K223-S227 PolarHBondContact O-N 2.76Å; K224-S227 PolarHBondContact O-N 2.77Å; I225-S227 VanDerWaalsContact C-N 3.3Å; I225-S227 PolarHBondContact O-N 2.83Å; S227-A231 WeakPolarHBondContact O-CB 3.36Å; S227-A231 PolarHBondContact O-N 3.45Å; S227-A231 VanDerWaalsContact O-N 3.09Å
228	G	84.1	Confident	78.4	Confident	40 Å²	40	100.8 Å²	100.8	41%	0.412	54%	0.542	S	S	.	.	H	α-helix	trans	-67.3	-42.9	177.3	0	0	0	0	0	112.8	K224 I225 A231 F232	K224-G228 PolarHBondContact O-N 3.13Å; I225-G228 PolarHBondContact O-N 2.86Å; G228-A231 PolarHBondContact O-N 3.01Å; G228-F232 WeakPolarHBondContact O-CB 3.28Å; G228-F232 PolarHBondContact O-N 2.83Å
229	A	88.4	Confident	80.4	Confident	49 Å²	49	104.7 Å²	104.7	41%	0.405	55%	0.552	S	S	.	*	H	α-helix	trans	-65.5	-41	177.2	0	0	0	0	0	111.9	I225 F232 L233	I225-A229 WeakPolarHBondContact O-CB 3.4Å; I225-A229 PolarHBondContact O-N 2.94Å; A229-F232 PolarHBondContact O-N 2.96Å; A229-L233 WeakPolarHBondContact O-CG 3.48Å; A229-L233 PolarHBondContact O-N 2.68Å
230	A	87.6	Confident	82.3	Confident	52 Å²	52	101.8 Å²	101.8	43%	0.43	54%	0.541	S	S	.	.	H	α-helix	trans	-62.5	-43.6	174.4	0	0	0	0	0	112	L226 L233 L234	L226-A230 VanDerWaalsContact O-CB 3.32Å; L226-A230 WeakPolarHBondContact O-CB 3.07Å; L226-A230 PolarHBondContact O-N 2.78Å; A230-L233 PolarHBondContact O-N 3.4Å; A230-L234 WeakPolarHBondContact O-CG 3.19Å; A230-L234 PolarHBondContact O-N 3.35Å
231	A	90	Very high	84.3	Confident	61 Å²	61	97.9 Å²	97.9	50%	0.504	53%	0.534	S	S	.	.	H	α-helix	trans	-64.8	-39.6	176.7	0	0	0	0	0	112.3	S227 G228 L234 G235	S227-A231 WeakPolarHBondContact O-CB 3.36Å; S227-A231 PolarHBondContact O-N 3.45Å; S227-A231 VanDerWaalsContact O-N 3.09Å; G228-A231 PolarHBondContact O-N 3.01Å; A231-L234 PolarHBondContact O-N 2.91Å; A231-G235 PolarHBondContact O-N 3Å
232	F	92.9	Very high	85.9	Confident	139 Å²	139	97.4 Å²	97.4	61%	0.61	54%	0.537	S	S	*	.	H	α-helix	trans	-65.7	-43.1	177.4	-173.2	-104	0	0	0	112.3	G228 A229 G235 L236	G228-F232 WeakPolarHBondContact O-CB 3.28Å; G228-F232 PolarHBondContact O-N 2.83Å; A229-F232 PolarHBondContact O-N 2.96Å; F232-G235 PolarHBondContact O-N 2.94Å; F232-L236 HydrophobicContact CD1-CD1 3.93Å; F232-L236 HydrophobicContact CD1-CG 4.45Å; F232-L236 HydrophobicContact CE1-CD1 3.51Å; F232-L236 HydrophobicContact CE1-CG 4.12Å; F232-L236 HydrophobicContact CZ-CD1 4.14Å; F232-L236 HydrophobicContact CZ-CG 4.35Å; F232-L236 PolarHBondContact O-N 3.23Å
233	L	94.7	Very high	87.5	Confident	109 Å²	109	91.6 Å²	91.6	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-42	175.7	-73.2	171.3	0	0	0	112	A229 A230 G235 L236 I237	A229-L233 WeakPolarHBondContact O-CG 3.48Å; A229-L233 PolarHBondContact O-N 2.68Å; A230-L233 PolarHBondContact O-N 3.4Å; L233-G235 VanDerWaalsContact C-N 3.33Å; L233-G235 PolarHBondContact O-N 3.43Å; L233-L236 PolarHBondContact O-N 3.13Å; L233-I237 WeakPolarHBondContact O-CG1 3.18Å; L233-I237 PolarHBondContact O-N 3.21Å; L233-I237 VanDerWaalsContact O-N 3.16Å
234	L	94.8	Very high	88.8	Confident	115 Å²	115	86.7 Å²	86.7	60%	0.602	51%	0.506	S	S	*	.	H	α-helix	trans	-61.3	-42.5	174.1	-74.5	168.5	0	0	0	111.6	A230 A231 I237 V238	A230-L234 WeakPolarHBondContact O-CG 3.19Å; A230-L234 PolarHBondContact O-N 3.35Å; A231-L234 PolarHBondContact O-N 2.91Å; L234-I237 PolarHBondContact O-N 2.84Å; L234-V238 WeakPolarHBondContact O-CG2 3.35Å; L234-V238 PolarHBondContact O-N 3.43Å; L234-V238 VanDerWaalsContact O-N 3.15Å
235	G	94	Very high	89.9	Confident	41 Å²	41	84 Å²	84	42%	0.423	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-43.2	176.1	0	0	0	0	0	113.4	A231 F232 L233 I237 V238 F239	A231-G235 PolarHBondContact O-N 3Å; F232-G235 PolarHBondContact O-N 2.94Å; L233-G235 VanDerWaalsContact C-N 3.33Å; L233-G235 PolarHBondContact O-N 3.43Å; G235-I237 PolarHBondContact O-N 2.84Å; G235-V238 PolarHBondContact O-N 3.3Å; G235-F239 WeakPolarHBondContact O-CB 3.23Å; G235-F239 PolarHBondContact O-N 3.47Å
236	L	96	Very high	90.7	Very high	72 Å²	72	85.5 Å²	85.5	38%	0.377	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-40.1	177.2	-77.3	174.9	0	0	0	112.6	F232 L233 F239 L240	F232-L236 HydrophobicContact CD1-CD1 3.93Å; F232-L236 HydrophobicContact CD1-CG 4.45Å; F232-L236 HydrophobicContact CE1-CD1 3.51Å; F232-L236 HydrophobicContact CE1-CG 4.12Å; F232-L236 HydrophobicContact CZ-CD1 4.14Å; F232-L236 HydrophobicContact CZ-CG 4.35Å; F232-L236 PolarHBondContact O-N 3.23Å; L233-L236 PolarHBondContact O-N 3.13Å; L236-F239 PolarHBondContact O-N 3.44Å; L236-L240 WeakPolarHBondContact O-CB 3.47Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.35Å; L236-L240 PolarHBondContact O-N 2.95Å
237	I	95	Very high	91	Very high	101 Å²	101	85 Å²	85	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-47.1	177.3	-66.9	165.3	0	0	0	110.2	L233 L234 G235 F239 L240 V241	L233-I237 WeakPolarHBondContact O-CG1 3.18Å; L233-I237 PolarHBondContact O-N 3.21Å; L233-I237 VanDerWaalsContact O-N 3.16Å; L234-I237 PolarHBondContact O-N 2.84Å; G235-I237 PolarHBondContact O-N 2.84Å; I237-F239 VanDerWaalsContact C-N 3.32Å; I237-F239 PolarHBondContact O-N 3.05Å; I237-L240 PolarHBondContact O-N 2.88Å; I237-V241 VanDerWaalsContact O-CG2 3.3Å; I237-V241 WeakPolarHBondContact O-CG2 3.31Å; I237-V241 PolarHBondContact O-N 3.38Å
238	V	94.3	Very high	90.9	Very high	107 Å²	107	88.2 Å²	88.2	65%	0.648	51%	0.505	S	S	*	.	H	α-helix	trans	-61.1	-42.5	177.8	176.3	0	0	0	0	111	L234 G235 V241 G242	L234-V238 WeakPolarHBondContact O-CG2 3.35Å; L234-V238 PolarHBondContact O-N 3.43Å; L234-V238 VanDerWaalsContact O-N 3.15Å; G235-V238 PolarHBondContact O-N 3.3Å; V238-V241 PolarHBondContact O-N 3.29Å; V238-G242 PolarHBondContact O-N 2.8Å
239	F	94.6	Very high	90.6	Very high	139 Å²	139	89 Å²	89	61%	0.61	51%	0.507	S	S	*	.	H	α-helix	trans	-62.3	-47.9	177.6	-178.5	-100.6	0	0	0	112.2	G235 L236 I237 V241 G242 V243	G235-F239 WeakPolarHBondContact O-CB 3.23Å; G235-F239 PolarHBondContact O-N 3.47Å; L236-F239 PolarHBondContact O-N 3.44Å; I237-F239 VanDerWaalsContact C-N 3.32Å; I237-F239 PolarHBondContact O-N 3.05Å; F239-V241 PolarHBondContact O-N 3.37Å; F239-G242 PolarHBondContact O-N 3.04Å; F239-G242 VanDerWaalsContact O-N 3.17Å; F239-V243 HydrophobicContact CD1-CG2 4.23Å; F239-V243 HydrophobicContact CE1-CG2 3.82Å; F239-V243 HydrophobicContact CE2-CG2 4.36Å; F239-V243 HydrophobicContact CZ-CG2 3.89Å; F239-V243 WeakPolarHBondContact O-CG2 3.38Å; F239-V243 PolarHBondContact O-N 3.27Å
240	L	94.6	Very high	89.8	Confident	109 Å²	109	91.2 Å²	91.2	57%	0.571	51%	0.509	S	S	*	.	H	α-helix	trans	-61.5	-42.6	178.8	-73.6	171.4	0	0	0	112.1	L236 I237 G242 V243 V244	L236-L240 WeakPolarHBondContact O-CB 3.47Å; L236-L240 VanDerWaalsContact O-CG 3.28Å; L236-L240 WeakPolarHBondContact O-CG 3.35Å; L236-L240 PolarHBondContact O-N 2.95Å; I237-L240 PolarHBondContact O-N 2.88Å; L240-G242 VanDerWaalsContact C-N 3.33Å; L240-G242 PolarHBondContact O-N 2.97Å; L240-V243 PolarHBondContact O-N 3.44Å; L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 2.88Å
241	V	94.1	Very high	88.6	Confident	79 Å²	79	96.6 Å²	96.6	48%	0.479	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-43.8	174.8	172.7	0	0	0	0	110.6	I237 V238 F239 V243 V244 I245	I237-V241 VanDerWaalsContact O-CG2 3.3Å; I237-V241 WeakPolarHBondContact O-CG2 3.31Å; I237-V241 PolarHBondContact O-N 3.38Å; V238-V241 PolarHBondContact O-N 3.29Å; F239-V241 PolarHBondContact O-N 3.37Å; V241-V243 PolarHBondContact O-N 2.86Å; V241-V244 PolarHBondContact O-N 3.42Å; V241-I245 HydrophobicContact CG1-CD1 3.85Å; V241-I245 HydrophobicContact CG1-CG1 4.49Å; V241-I245 WeakPolarHBondContact O-CG1 3.25Å; V241-I245 PolarHBondContact O-N 2.85Å
242	G	90.9	Very high	87	Confident	37 Å²	37	96.6 Å²	96.6	38%	0.381	52%	0.523	S	S	.	.	H	α-helix	trans	-58.6	-44.5	175.5	0	0	0	0	0	113.1	V238 F239 L240 I245 H246	V238-G242 PolarHBondContact O-N 2.8Å; F239-G242 PolarHBondContact O-N 3.04Å; F239-G242 VanDerWaalsContact O-N 3.17Å; L240-G242 VanDerWaalsContact C-N 3.33Å; L240-G242 PolarHBondContact O-N 2.97Å; G242-I245 PolarHBondContact O-N 2.91Å; G242-H246 WeakPolarHBondContact O-CB 3.3Å; G242-H246 PolarHBondContact O-N 3.13Å
243	V	93.2	Very high	85.1	Confident	58 Å²	58	94 Å²	94	35%	0.352	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-43.5	176.8	172.1	0	0	0	0	111.3	F239 L240 V241 I245 H246 L247	F239-V243 HydrophobicContact CD1-CG2 4.23Å; F239-V243 HydrophobicContact CE1-CG2 3.82Å; F239-V243 HydrophobicContact CE2-CG2 4.36Å; F239-V243 HydrophobicContact CZ-CG2 3.89Å; F239-V243 WeakPolarHBondContact O-CG2 3.38Å; F239-V243 PolarHBondContact O-N 3.27Å; L240-V243 PolarHBondContact O-N 3.44Å; V241-V243 PolarHBondContact O-N 2.86Å; V243-I245 VanDerWaalsContact C-N 3.35Å; V243-I245 PolarHBondContact O-N 2.92Å; V243-H246 PolarHBondContact O-N 3.46Å; V243-L247 HydrophobicContact CG1-CD1 3.79Å; V243-L247 HydrophobicContact CG1-CG 4.21Å; V243-L247 WeakPolarHBondContact O-CB 3.45Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 2.92Å
244	V	89.9	Confident	83	Confident	79 Å²	79	94.7 Å²	94.7	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-62.7	-42.4	177.7	171.2	0	0	0	0	111.4	L240 V241 K248	L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 2.88Å; V241-V244 PolarHBondContact O-N 3.42Å; V244-K248 WeakPolarHBondContact O-CB 3.36Å; V244-K248 WeakPolarHBondContact O-CG 3.5Å; V244-K248 PolarHBondContact O-N 3.34Å
245	I	88.6	Confident	80.8	Confident	109 Å²	109	97.3 Å²	97.3	56%	0.559	54%	0.539	S	S	*	.	H	α-helix	trans	-62.9	-44	175.5	-67	168.4	0	0	0	110.2	V241 G242 V243 K248 A249	V241-I245 HydrophobicContact CG1-CD1 3.85Å; V241-I245 HydrophobicContact CG1-CG1 4.49Å; V241-I245 WeakPolarHBondContact O-CG1 3.25Å; V241-I245 PolarHBondContact O-N 2.85Å; G242-I245 PolarHBondContact O-N 2.91Å; V243-I245 VanDerWaalsContact C-N 3.35Å; V243-I245 PolarHBondContact O-N 2.92Å; I245-K248 PolarHBondContact O-N 2.79Å; I245-A249 WeakPolarHBondContact O-CB 3.2Å; I245-A249 PolarHBondContact O-N 2.88Å
246	H	86.5	Confident	78.4	Confident	111 Å²	111	100.9 Å²	100.9	51%	0.514	55%	0.553	S	S	.	*	H	α-helix	trans	-64.5	-43.2	179.3	-170.4	5	0	0	0	112.5	G242 V243 K248 A249 Q250	G242-H246 WeakPolarHBondContact O-CB 3.3Å; G242-H246 PolarHBondContact O-N 3.13Å; V243-H246 PolarHBondContact O-N 3.46Å; H246-K248 VanDerWaalsContact C-N 3.33Å; H246-K248 PolarHBondContact O-N 3Å; H246-A249 PolarHBondContact O-N 2.76Å; H246-Q250 PolarHBondContact O-N 2.96Å
247	L	85.7	Confident	76.1	Confident	97 Å²	97	106.1 Å²	106.1	51%	0.508	58%	0.576	S	S	.	*	H	α-helix	trans	-65.4	-36	176.4	-70.3	173.3	0	0	0	111.9	V243 K251	V243-L247 HydrophobicContact CG1-CD1 3.79Å; V243-L247 HydrophobicContact CG1-CG 4.21Å; V243-L247 WeakPolarHBondContact O-CB 3.45Å; V243-L247 VanDerWaalsContact O-CG 3.29Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 2.92Å; L247-K251 PolarHBondContact O-N 3.35Å
248	K	79.8	Confident	73.6	Confident	149 Å²	149	107.5 Å²	107.5	65%	0.648	59%	0.591	S	S	*	*	H	α-helix	trans	-66.3	-40	171.6	-77.9	-172.2	174.9	-173.1	0	112.1	V244 I245 H246 K251 A252	V244-K248 WeakPolarHBondContact O-CB 3.36Å; V244-K248 WeakPolarHBondContact O-CG 3.5Å; V244-K248 PolarHBondContact O-N 3.34Å; I245-K248 PolarHBondContact O-N 2.79Å; H246-K248 VanDerWaalsContact C-N 3.33Å; H246-K248 PolarHBondContact O-N 3Å; K248-K251 PolarHBondContact O-N 2.92Å; K248-A252 PolarHBondContact O-N 2.79Å
249	A	76.1	Confident	70.7	Confident	55 Å²	55	106 Å²	106	46%	0.455	60%	0.597	S	S	.	*	H	α-helix	trans	-66	-39.4	175.4	0	0	0	0	0	112.2	I245 H246 A252 S253	I245-A249 WeakPolarHBondContact O-CB 3.2Å; I245-A249 PolarHBondContact O-N 2.88Å; H246-A249 PolarHBondContact O-N 2.76Å; A249-A252 PolarHBondContact O-N 2.97Å; A249-S253 PolarHBondContact O-N 3.23Å; A249-S253 PolarHBondContact O-OG 2.87Å
250	Q	71.8	Confident	67.8	Low	97 Å²	97	106.9 Å²	106.9	45%	0.453	61%	0.608	S	S	.	*	H	α-helix	trans	-64.3	-40.1	174.1	-79.2	-172.6	-16.1	0	0	112.1	H246 A252 S253 V254	H246-Q250 PolarHBondContact O-N 2.96Å; Q250-A252 PolarHBondContact O-N 2.98Å; Q250-S253 WeakPolarHBondContact CA-OG 3.42Å; Q250-S253 PolarHBondContact O-N 3.09Å; Q250-S253 PolarHBondContact O-OG 3.16Å; Q250-V254 WeakPolarHBondContact O-CG2 3.48Å; Q250-V254 PolarHBondContact O-N 2.66Å; Q250-V254 VanDerWaalsContact O-N 3.12Å
251	K	64	Low	64.9	Low	164 Å²	164	110.3 Å²	110.3	71%	0.713	62%	0.622	S	S	*	*	H	α-helix	trans	-61.6	-40.6	172.6	-90.7	-176.1	172.5	-176.6	0	112.6	L247 K248 S253 V254 E255	L247-K251 PolarHBondContact O-N 3.35Å; K248-K251 PolarHBondContact O-N 2.92Å; K251-S253 VanDerWaalsContact C-N 3.35Å; K251-S253 PolarHBondContact O-N 2.84Å; K251-V254 PolarHBondContact O-N 2.64Å; K251-E255 PolarHBondContact O-N 3.43Å
252	A	56.2	Low	62.2	Low	62 Å²	62	110.6 Å²	110.6	51%	0.512	63%	0.633	S	S	.	*	H	α-helix	trans	-66.7	-32.5	176.4	0	0	0	0	0	113.3	K248 A249 Q250 T256	K248-A252 PolarHBondContact O-N 2.79Å; A249-A252 PolarHBondContact O-N 2.97Å; Q250-A252 PolarHBondContact O-N 2.98Å; A252-T256 PolarHBondContact O-OG1 3.18Å
253	S	52.3	Low	59.7	Low	83 Å²	83	113.6 Å²	113.6	58%	0.58	65%	0.647	S	S	*	*	H	α-helix	trans	-76.4	-22.9	175.3	54.3	0	0	0	0	114.5	A249 Q250 K251	A249-S253 PolarHBondContact O-N 3.23Å; A249-S253 PolarHBondContact O-OG 2.87Å; Q250-S253 WeakPolarHBondContact CA-OG 3.42Å; Q250-S253 PolarHBondContact O-N 3.09Å; Q250-S253 PolarHBondContact O-OG 3.16Å; K251-S253 VanDerWaalsContact C-N 3.35Å; K251-S253 PolarHBondContact O-N 2.84Å
254	V	50.5	Low	57	Low	124 Å²	124	121 Å²	121	75%	0.752	67%	0.669	S	S	*	*	H	α-helix	trans	-79.5	-21.3	175.4	171.6	0	0	0	0	111.7	Q250 K251	Q250-V254 WeakPolarHBondContact O-CG2 3.48Å; Q250-V254 PolarHBondContact O-N 2.66Å; Q250-V254 VanDerWaalsContact O-N 3.12Å; K251-V254 PolarHBondContact O-N 2.64Å
255	E	47.9	Very low	54.4	Low	170 Å²	170	125.6 Å²	125.6	79%	0.794	68%	0.683	S	S	*	*	S	Bend	trans	-93.6	5.2	-177.6	-149.7	140.5	-158.6	0	0	113.8	K251	K251-E255 PolarHBondContact O-N 3.43Å
256	T	44.3	Very low	52.1	Low	116 Å²	116	126.7 Å²	126.7	71%	0.712	69%	0.689	S	S	*	*			trans	-113.2	67	174.7	-45.7	0	0	0	0	111.7	A252	A252-T256 PolarHBondContact O-OG1 3.18Å
257	Q	47.6	Very low	49.9	Very low	183 Å²	183	127.5 Å²	127.5	86%	0.855	70%	0.697	S	S	*	*			trans	-148	117.9	150.4	-114.6	-164.4	-18.3	0	0	108.9
258	P	42	Very low	47.5	Very low	129 Å²	129	130.3 Å²	130.3	84%	0.838	71%	0.707	S	S	*	*				-140.5	157.8	106	30	-11.7	0	0	0	111.5
259	G	34.6	Very low	45.5	Very low	76 Å²	76	127.2 Å²	127.2	78%	0.784	70%	0.704	S	S	*	*			cis	105	113.3	38.7	0	0	0	0	0	108.9
260	N	33.7	Very low	43.7	Very low	157 Å²	157	133.3 Å²	133.3	84%	0.84	72%	0.723	S	S	*	*			trans	-57.9	157.4	-168.9	-76.5	-25.6	0	0	0	117.2
261	E	33.2	Very low	43.4	Very low	181 Å²	181	137.5 Å²	137.5	85%	0.846	76%	0.759	S	S	*	*				124.4	110.2	122.6	-145.9	145.1	-162.6	0	0	119.7
262	A	37.8	Very low	42.4	Very low	86 Å²	86	136.2 Å²	136.2	71%	0.711	76%	0.761	S	S	*	*			trans	85.1	118.7	132.4	0	0	0	0	0	124.6
263	S	37.8	Very low	41.7	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	77%	0.774	S	S	*	*				105.4	109.1	118.6	-91.8	0	0	0	0	122
264	R	37.5	Very low	41.1	Very low	213 Å²	213	143.3 Å²	143.3	80%	0.804	79%	0.785	S	S	*	*				92.1	116.3	114.6	-153	-168.8	-75.3	165.6	-5.9	119.7
265	K	35.4	Very low	40.5	Very low	176 Å²	176	144.4 Å²	144.4	77%	0.765	79%	0.787	S	S	*	*				139.8	140.2	128.7	-75.7	-172	175.1	-177.3	0	110.5
266	L	40.7	Very low	40.1	Very low	133 Å²	133	142.8 Å²	142.8	70%	0.696	79%	0.786	S	S	*	*			cis	-178.1	146.6	-2.5	-106.3	171.3	0	0	0	108.1
267	L	38.8	Very low	39.8	Very low	128 Å²	128	144.6 Å²	144.6	67%	0.67	79%	0.791	S	S	*	*			trans	61.3	146.4	156.9	-73.7	98.6	0	0	0	119.7
268	H	35.5	Very low	39.2	Very low	156 Å²	156	141.9 Å²	141.9	72%	0.722	79%	0.786	S	S	*	*			cis	-163.7	144.4	24.6	-139.5	-46.3	0	0	0	112.3
269	S	38.2	Very low	39	Very low	83 Å²	83	142.8 Å²	142.8	58%	0.58	78%	0.783	S	S	*	*			trans	28	120.2	146.9	56.9	0	0	0	0	122.6
270	Q	37.4	Very low	39.4	Very low	183 Å²	183	148.4 Å²	148.4	86%	0.855	78%	0.782	S	S	*	*				74.6	160.3	89.2	-98.1	-165.5	-71.5	0	0	116.2
271	P	67	Low	39.9	Very low	186 Å²	186	147.6 Å²	147.6	100%	1.208	78%	0.777	S	S	*	*			cis	-108.9	0	1	35.6	-22.1	0	0	0	116.1

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