X5D2U9_HUMAN Loading...

HLA class II histocompatibility antigen, DR beta 4 chain

AlphaFold DB (P13762), UniProt , Accession X5D2U9, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB4, Length 266 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	41	Very low	48.8	Very low	229 Å²	229	126.8 Å²	126.8	100%	1.128	77%	0.771	S	S	*	*				0	87.1	0	-163.1	163.2	157.9	0	0	107.3	C3	M1-C3 PolarHBondContact O-N 3.07Å
2	V	40.2	Very low	50.3	Low	137 Å²	137	127.7 Å²	127.7	83%	0.83	76%	0.763	S	S	*	*			trans	-84.3	98.3	-173.8	178.1	0	0	0	0	107.1	L4	V2-L4 PolarHBondContact O-N 3.44Å
3	C	47.7	Very low	51.8	Low	108 Å²	108	121.8 Å²	121.8	73%	0.73	74%	0.737	S	S	*	*			trans	-70.4	98	171.9	-80.8	0	0	0	0	108.8	M1 K5	M1-C3 PolarHBondContact O-N 3.07Å; C3-K5 PolarHBondContact O-N 2.98Å
4	L	44.9	Very low	53.3	Low	155 Å²	155	117.3 Å²	117.3	81%	0.812	72%	0.719	S	S	*	*			trans	-57.7	106.1	161.4	-92.1	137.9	0	0	0	107.9	V2 L6	V2-L4 PolarHBondContact O-N 3.44Å; L4-L6 PolarHBondContact O-N 3.26Å
5	K	43.8	Very low	54.8	Low	207 Å²	207	115.1 Å²	115.1	90%	0.9	70%	0.7	S	S	*	*			trans	-66	92.9	173.2	-79.8	-178	173.3	178.6	0	108.9	C3	C3-K5 PolarHBondContact O-N 2.98Å
6	L	47.9	Very low	56.1	Low	128 Å²	128	112.7 Å²	112.7	67%	0.67	69%	0.686	S	S	*	*			trans	-93.2	131.5	154.8	-81	156.8	0	0	0	108.1	L4 G8	L4-L6 PolarHBondContact O-N 3.26Å; L6-G8 PolarHBondContact O-N 3.47Å
7	P	47	Very low	57.2	Low	124 Å²	124	111.2 Å²	111.2	81%	0.805	68%	0.677	S	S	*	*	S	Bend	trans	-69.9	126.3	-172	28.6	-32	0	0	0	110.1
8	G	51.8	Low	58.1	Low	79 Å²	79	109.3 Å²	109.3	81%	0.814	67%	0.665	S	S	*	*	S	Bend	trans	70.1	95.1	161.9	0	0	0	0	0	116.2	L6	L6-G8 PolarHBondContact O-N 3.47Å
9	G	52.7	Low	58.9	Low	65 Å²	65	109.4 Å²	109.4	67%	0.67	66%	0.661	S	S	*	*	S	Bend	trans	98.7	-2.5	153	0	0	0	0	0	118.4
10	S	60.7	Low	59.7	Low	73 Å²	73	108.1 Å²	108.1	51%	0.51	65%	0.653	S	S	.	*	H	α-helix	trans	-76.9	-32.9	-176.8	164.3	0	0	0	0	114.9	A13 A14	S10-A13 PolarHBondContact O-N 2.68Å; S10-A14 PolarHBondContact O-N 3.35Å; S10-A14 VanDerWaalsContact O-N 3.08Å
11	C	59.7	Low	60.2	Low	90 Å²	90	107.3 Å²	107.3	61%	0.608	65%	0.649	S	S	*	*	H	α-helix	trans	-69.4	-40.8	-172.3	-166.4	0	0	0	0	113	A14 L15	C11-A14 PolarHBondContact O-N 2.9Å; C11-L15 WeakPolarHBondContact O-CB 3.39Å; C11-L15 PolarHBondContact O-N 2.96Å
12	M	66.4	Low	61.4	Low	137 Å²	137	102.9 Å²	102.9	68%	0.675	63%	0.629	S	S	*	*	H	α-helix	trans	-68.5	-36.5	178.4	-69.4	-60.3	-72.1	0	0	111.9	L15 T16	M12-L15 PolarHBondContact O-N 3.16Å; M12-T16 WeakPolarHBondContact O-CG2 3.38Å; M12-T16 PolarHBondContact O-N 3Å; M12-T16 PolarHBondContact O-OG1 2.88Å
13	A	69.5	Low	62.7	Low	52 Å²	52	100.5 Å²	100.5	43%	0.43	62%	0.618	S	S	.	*	H	α-helix	trans	-66.5	-42.3	175.8	0	0	0	0	0	111.9	S10 T16 V17	S10-A13 PolarHBondContact O-N 2.68Å; A13-T16 WeakPolarHBondContact CA-OG1 3.36Å; A13-T16 PolarHBondContact O-N 3.2Å; A13-T16 PolarHBondContact O-OG1 3.38Å; A13-V17 WeakPolarHBondContact O-CB 3.08Å; A13-V17 VanDerWaalsContact O-CG2 3.22Å; A13-V17 WeakPolarHBondContact O-CG2 3.41Å; A13-V17 PolarHBondContact O-N 2.79Å
14	A	72.7	Confident	63.5	Low	58 Å²	58	97.5 Å²	97.5	48%	0.479	60%	0.599	S	S	.	*	H	α-helix	trans	-64.2	-40.7	176	0	0	0	0	0	112	S10 C11 T18	S10-A14 PolarHBondContact O-N 3.35Å; S10-A14 VanDerWaalsContact O-N 3.08Å; C11-A14 PolarHBondContact O-N 2.9Å; A14-T18 PolarHBondContact O-N 2.87Å; A14-T18 PolarHBondContact O-OG1 3.46Å
15	L	76.7	Confident	64.3	Low	85 Å²	85	95.5 Å²	95.5	45%	0.445	60%	0.595	S	S	.	*	H	α-helix	trans	-65.3	-43.8	175.8	-84.9	161	0	0	0	112.6	C11 M12 T18 L19	C11-L15 WeakPolarHBondContact O-CB 3.39Å; C11-L15 PolarHBondContact O-N 2.96Å; M12-L15 PolarHBondContact O-N 3.16Å; L15-T18 WeakPolarHBondContact CA-OG1 3.39Å; L15-T18 PolarHBondContact O-N 2.82Å; L15-T18 PolarHBondContact O-OG1 2.9Å; L15-T18 VanDerWaalsContact O-OG1 3.11Å; L15-L19 WeakPolarHBondContact O-CB 3.18Å; L15-L19 WeakPolarHBondContact O-CG 3.03Å; L15-L19 PolarHBondContact O-N 3.2Å
16	T	75.5	Confident	65	Low	76 Å²	76	93.1 Å²	93.1	47%	0.466	59%	0.591	S	S	.	*	H	α-helix	trans	-66.6	-40.3	177.5	49.4	0	0	0	0	111.6	M12 A13 L19 T20	M12-T16 WeakPolarHBondContact O-CG2 3.38Å; M12-T16 PolarHBondContact O-N 3Å; M12-T16 PolarHBondContact O-OG1 2.88Å; A13-T16 WeakPolarHBondContact CA-OG1 3.36Å; A13-T16 PolarHBondContact O-N 3.2Å; A13-T16 PolarHBondContact O-OG1 3.38Å; T16-L19 PolarHBondContact O-N 3.23Å; T16-T20 VanDerWaalsContact O-CG2 3.31Å; T16-T20 WeakPolarHBondContact O-CG2 3.46Å; T16-T20 PolarHBondContact O-N 3.11Å; T16-T20 PolarHBondContact O-OG1 2.89Å; T16-T20 VanDerWaalsContact O-OG1 3.11Å
17	V	75	Confident	65.5	Low	87 Å²	87	90.4 Å²	90.4	53%	0.527	59%	0.587	S	S	.	*	H	α-helix	trans	-65.3	-41.2	175.8	173.7	0	0	0	0	111.7	A13 T20 V21	A13-V17 WeakPolarHBondContact O-CB 3.08Å; A13-V17 VanDerWaalsContact O-CG2 3.22Å; A13-V17 WeakPolarHBondContact O-CG2 3.41Å; A13-V17 PolarHBondContact O-N 2.79Å; V17-T20 WeakPolarHBondContact CA-OG1 3.49Å; V17-T20 PolarHBondContact O-N 3.26Å; V17-T20 PolarHBondContact O-OG1 3.02Å; V17-V21 HydrophobicContact CG1-CG2 4.47Å; V17-V21 WeakPolarHBondContact O-CB 3.07Å; V17-V21 VanDerWaalsContact O-CG2 3.22Å; V17-V21 WeakPolarHBondContact O-CG2 3.06Å; V17-V21 PolarHBondContact O-N 2.66Å
18	T	72.4	Confident	66.1	Low	77 Å²	77	91.8 Å²	91.8	47%	0.472	59%	0.587	S	S	.	*	H	α-helix	trans	-67	-40.4	175.6	31.3	0	0	0	0	112.1	A14 L15 V21 L22	A14-T18 PolarHBondContact O-N 2.87Å; A14-T18 PolarHBondContact O-OG1 3.46Å; L15-T18 WeakPolarHBondContact CA-OG1 3.39Å; L15-T18 PolarHBondContact O-N 2.82Å; L15-T18 PolarHBondContact O-OG1 2.9Å; L15-T18 VanDerWaalsContact O-OG1 3.11Å; T18-V21 PolarHBondContact O-N 2.96Å; T18-L22 WeakPolarHBondContact O-CB 3.17Å; T18-L22 PolarHBondContact O-N 3Å
19	L	74.6	Confident	66.5	Low	111 Å²	111	90.9 Å²	90.9	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-62.8	-45	174.6	-84	160	0	0	0	111.7	L15 T16 L22 S23	L15-L19 WeakPolarHBondContact O-CB 3.18Å; L15-L19 WeakPolarHBondContact O-CG 3.03Å; L15-L19 PolarHBondContact O-N 3.2Å; T16-L19 PolarHBondContact O-N 3.23Å; L19-L22 PolarHBondContact O-N 3.28Å; L19-S23 VanDerWaalsContact O-CB 3.31Å; L19-S23 WeakPolarHBondContact O-CB 3.45Å; L19-S23 PolarHBondContact O-N 3.37Å; L19-S23 PolarHBondContact O-OG 3.26Å
20	T	73.9	Confident	67.1	Low	84 Å²	84	90.4 Å²	90.4	52%	0.515	57%	0.567	S	S	.	*	H	α-helix	trans	-67.6	-35	179.5	54.8	0	0	0	0	112.6	T16 V17 S23 S24	T16-T20 VanDerWaalsContact O-CG2 3.31Å; T16-T20 WeakPolarHBondContact O-CG2 3.46Å; T16-T20 PolarHBondContact O-N 3.11Å; T16-T20 PolarHBondContact O-OG1 2.89Å; T16-T20 VanDerWaalsContact O-OG1 3.11Å; V17-T20 WeakPolarHBondContact CA-OG1 3.49Å; V17-T20 PolarHBondContact O-N 3.26Å; V17-T20 PolarHBondContact O-OG1 3.02Å; T20-S23 WeakPolarHBondContact CA-OG 3.41Å; T20-S23 CarbonylContact O-C 3.57Å; T20-S24 PolarHBondContact O-N 3.26Å; T20-S24 PolarHBondContact O-OG 3.23Å
21	V	70.4	Confident	67.6	Low	92 Å²	92	91.8 Å²	91.8	56%	0.558	57%	0.569	S	S	*	*	H	α-helix	trans	-67.5	-43.7	173.9	172.7	0	0	0	0	111.2	V17 T18 S24	V17-V21 HydrophobicContact CG1-CG2 4.47Å; V17-V21 WeakPolarHBondContact O-CB 3.07Å; V17-V21 VanDerWaalsContact O-CG2 3.22Å; V17-V21 WeakPolarHBondContact O-CG2 3.06Å; V17-V21 PolarHBondContact O-N 2.66Å; T18-V21 PolarHBondContact O-N 2.96Å; V21-S24 VanDerWaalsContact O-CB 3.3Å; V21-S24 WeakPolarHBondContact O-CB 3.41Å; V21-S24 PolarHBondContact O-N 2.91Å; V21-S24 PolarHBondContact O-OG 3.09Å
22	L	66.5	Low	68	Low	136 Å²	136	93.3 Å²	93.3	71%	0.712	58%	0.575	S	S	*	*	H	α-helix	trans	-71.9	-28.8	177.8	-79.9	160.4	0	0	0	113.5	T18 L19	T18-L22 WeakPolarHBondContact O-CB 3.17Å; T18-L22 PolarHBondContact O-N 3Å; L19-L22 PolarHBondContact O-N 3.28Å
23	S	67.3	Low	68.7	Low	86 Å²	86	93.4 Å²	93.4	60%	0.601	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	7.2	174.8	56.1	0	0	0	0	113.4	L19 T20 P25	L19-S23 VanDerWaalsContact O-CB 3.31Å; L19-S23 WeakPolarHBondContact O-CB 3.45Å; L19-S23 PolarHBondContact O-N 3.37Å; L19-S23 PolarHBondContact O-OG 3.26Å; T20-S23 WeakPolarHBondContact CA-OG 3.41Å; T20-S23 CarbonylContact O-C 3.57Å; S23-P25 WeakPolarHBondContact O-CD 3.48Å
24	S	64.9	Low	69.3	Low	46 Å²	46	96.4 Å²	96.4	32%	0.322	59%	0.589	S	S	.	*			trans	-61.8	125.1	171.1	-70.4	0	0	0	0	108.5	T20 V21 L26 A27	T20-S24 PolarHBondContact O-N 3.26Å; T20-S24 PolarHBondContact O-OG 3.23Å; V21-S24 VanDerWaalsContact O-CB 3.3Å; V21-S24 WeakPolarHBondContact O-CB 3.41Å; V21-S24 PolarHBondContact O-N 2.91Å; V21-S24 PolarHBondContact O-OG 3.09Å; S24-L26 PolarHBondContact O-N 3.11Å; S24-A27 WeakPolarHBondContact O-CB 3.44Å; S24-A27 PolarHBondContact O-N 3.44Å
25	P	61.2	Low	70	Confident	113 Å²	113	103 Å²	103	73%	0.734	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	-24.9	178.9	-26.8	33.2	0	0	0	113.7	S23 L28 A29	S23-P25 WeakPolarHBondContact O-CD 3.48Å; P25-L28 CarbonylContact O-C 3.42Å; P25-L28 PolarHBondContact O-N 3.37Å; P25-A29 PolarHBondContact O-N 3.31Å
26	L	57.6	Low	70.6	Confident	157 Å²	157	105.4 Å²	105.4	82%	0.822	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-31	174.4	-68.4	169.8	0	0	0	113.6	S24 L28 A29	S24-L26 PolarHBondContact O-N 3.11Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-A29 WeakPolarHBondContact O-CB 3.39Å
27	A	59.5	Low	71.5	Confident	71 Å²	71	105.6 Å²	105.6	59%	0.587	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-25.3	173.4	0	0	0	0	0	111.8	S24	S24-A27 WeakPolarHBondContact O-CB 3.44Å; S24-A27 PolarHBondContact O-N 3.44Å
28	L	60.4	Low	72.5	Confident	153 Å²	153	107.1 Å²	107.1	80%	0.801	61%	0.608	S	S	*	*	S	Bend	trans	-94.1	4.1	175.6	-146.3	77.2	0	0	0	113.1	P25 L26 G30	P25-L28 CarbonylContact O-C 3.42Å; P25-L28 PolarHBondContact O-N 3.37Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L28-G30 PolarHBondContact O-N 3.19Å
29	A	59.8	Low	73.6	Confident	60 Å²	60	106.7 Å²	106.7	50%	0.496	60%	0.6	S	S	.	*			trans	-71	73.3	165.3	0	0	0	0	0	107.6	P25 L26	P25-A29 PolarHBondContact O-N 3.31Å; L26-A29 WeakPolarHBondContact O-CB 3.39Å
30	G	64.1	Low	74.7	Confident	55 Å²	55	105 Å²	105	57%	0.567	60%	0.602	S	S	*	*			trans	-51.1	145	165	0	0	0	0	0	108.8	L28 T32	L28-G30 PolarHBondContact O-N 3.19Å; G30-T32 WeakPolarHBondContact O-CG2 3.39Å; G30-T32 PolarHBondContact O-N 3.09Å
31	D	71	Confident	75.8	Confident	101 Å²	101	105.5 Å²	105.5	54%	0.54	60%	0.597	S	S	.	*			trans	-22.6	95.7	177.3	-176.8	20.4	0	0	0	113.5	Q33 R35	D31-Q33 PolarHBondContact O-N 2.98Å; D31-Q33 VanDerWaalsContact OD1-CB 3.24Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.49Å; D31-Q33 PolarHBondContact OD1-N 3.49Å; D31-R35 IonicContact OD2-CZ 2.85Å; D31-R35 IonicContact OD2-NE 2.7Å; D31-R35 IonicContact OD2-NH2 2.7Å; D31-R35 PolarHBondContact OD2-NH2 3.01Å
32	T	68.9	Low	77	Confident	122 Å²	122	103.8 Å²	103.8	75%	0.748	59%	0.589	S	S	*	*			trans	-84.9	9.9	-179.3	52.2	0	0	0	0	112	G30 P34	G30-T32 WeakPolarHBondContact O-CG2 3.39Å; G30-T32 PolarHBondContact O-N 3.09Å; T32-P34 WeakPolarHBondContact O-CD 3.33Å
33	Q	80.8	Confident	78.5	Confident	140 Å²	140	99.9 Å²	99.9	65%	0.654	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-60.2	125.9	178.2	-167.9	168.6	-33.2	0	0	109	D31 R35	D31-Q33 PolarHBondContact O-N 2.98Å; D31-Q33 VanDerWaalsContact OD1-CB 3.24Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.49Å; D31-Q33 PolarHBondContact OD1-N 3.49Å; Q33-R35 PolarHBondContact O-N 3.19Å
34	P	81.7	Confident	79.9	Confident	114 Å²	114	97.4 Å²	97.4	74%	0.74	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-56.3	118.1	177.5	-24.2	33.2	0	0	0	109.6	T32	T32-P34 WeakPolarHBondContact O-CD 3.33Å
35	R	87.3	Confident	81.5	Confident	198 Å²	198	98.4 Å²	98.4	75%	0.747	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-97.1	125.9	173.6	-63.3	-175.5	-178.1	-162.6	-1.6	107.8	D31 Q33	D31-R35 IonicContact OD2-CZ 2.85Å; D31-R35 IonicContact OD2-NE 2.7Å; D31-R35 IonicContact OD2-NH2 2.7Å; D31-R35 PolarHBondContact OD2-NH2 3.01Å; Q33-R35 PolarHBondContact O-N 3.19Å
36	F	90.3	Very high	83.1	Confident	135 Å²	135	96.6 Å²	96.6	59%	0.592	53%	0.529	S	S	*	.			trans	-124.1	153.5	171.3	70.6	-84.9	0	0	0	109.7	Y61 N62	F36-Y61 HydrophobicContact CB-CE2 4.03Å; F36-Y61 HydrophobicContact CD2-CE2 4.07Å; F36-Y61 HydrophobicContact CG-CE2 4.36Å; F36-N62 VanDerWaalsContact CA-OD1 3.25Å; F36-N62 WeakPolarHBondContact CA-OD1 3.36Å
37	L	94.5	Very high	84.9	Confident	79 Å²	79	93.1 Å²	93.1	41%	0.414	51%	0.511	S	S	.	.			trans	-126.3	115.9	175.4	174.8	63.9	0	0	0	108.4	Q39 N62	L37-Q39 HydrophobicContact CD1-CG 3.88Å; L37-Q39 HydrophobicContact CD2-CG 4.09Å; L37-Q39 HydrophobicContact CG-CG 3.75Å; L37-N62 PolarHBondContact N-OD1 2.9Å; L37-N62 PolarHBondContact O-N 3.36Å
38	E	94.8	Very high	86.6	Confident	120 Å²	120	95.3 Å²	95.3	56%	0.561	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.5	169.4	-170.5	-177.6	-173.2	0	0	108.9	I60	E38-I60 CarbonylContact C-O 3.54Å; E38-I60 WeakPolarHBondContact CA-O 2.88Å
39	Q	97.3	Very high	88.2	Confident	68 Å²	68	89.1 Å²	89.1	32%	0.318	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.8	178.4	-50.6	-177.4	-79.7	0	0	109.8	L37 I60	L37-Q39 HydrophobicContact CD1-CG 3.88Å; L37-Q39 HydrophobicContact CD2-CG 4.09Å; L37-Q39 HydrophobicContact CG-CG 3.75Å; Q39-I60 HydrophobicContact CB-CB 4.29Å; Q39-I60 PolarHBondContact N-O 3.45Å; Q39-I60 PolarHBondContact O-N 3.45Å
40	A	96.4	Very high	89.9	Confident	75 Å²	75	89.1 Å²	89.1	62%	0.62	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.1	163.6	0	0	0	0	0	108.6	R58 Y59	A40-R58 CarbonylContact C-O 3.54Å; A40-R58 WeakPolarHBondContact CA-O 3.26Å; A40-Y59 HydrophobicContact CB-CD1 4.35Å; A40-Y59 HydrophobicContact CB-CE1 4.38Å
41	K	97.4	Very high	91.4	Very high	94 Å²	94	93.7 Å²	93.7	41%	0.409	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.1	176.8	-67.3	-173.4	177.6	178.9	0	109.7	I57 R58 I60	K41-I57 CarbonylContact O-C 3.57Å; K41-I57 VanDerWaalsContact O-CA 3.29Å; K41-I57 WeakPolarHBondContact O-CA 3.5Å; K41-R58 HydrophobicContact CB-CB 4.47Å; K41-R58 PolarHBondContact N-O 3.22Å; K41-R58 PolarHBondContact O-N 3.25Å; K41-I60 HydrophobicContact CD-CD1 3.84Å; K41-I60 HydrophobicContact CG-CD1 4.21Å
42	C	96.4	Very high	92.6	Very high	57 Å²	57	95.4 Å²	95.4	39%	0.385	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.9	170.7	-173.6	0	0	0	0	108.4	N55 Y107	C42-N55 PolarHBondContact SG-OD1 3.38Å; C42-N55 VanDerWaalsContact SG-OD1 3.35Å; C42-Y107 VanDerWaalsContact SG-CE1 3.51Å
43	E	97.2	Very high	94	Very high	54 Å²	54	90 Å²	90	25%	0.252	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.8	-179.7	-58.9	179.2	-160.3	0	0	109.1	H45 L56 R58	E43-H45 IonicContact OE2-CE1 2.93Å; E43-H45 IonicContact OE2-NE2 3.52Å; E43-H45 PolarHBondContact OE2-NE2 3.34Å; E43-L56 HydrophobicContact CB-CB 4.25Å; E43-L56 PolarHBondContact N-O 3.02Å; E43-L56 PolarHBondContact O-N 3.08Å; E43-R58 WeakPolarHBondContact OE1-CD 3.46Å; E43-R58 IonicContact OE1-CZ 3.62Å; E43-R58 IonicContact OE1-NE 3.03Å; E43-R58 IonicContact OE1-NH1 2.7Å; E43-R58 PolarHBondContact OE1-NH1 2.85Å; E43-R58 VanDerWaalsContact OE1-NH1 3.11Å
44	C	97.3	Very high	94.7	Very high	34 Å²	34	86.3 Å²	86.3	23%	0.23	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.8	169.9	-64.3	0	0	0	0	109.2	F46 C108	C44-F46 HydrophobicContact CB-CD2 4.36Å; C44-F46 HydrophobicContact CB-CE1 4.47Å; C44-F46 HydrophobicContact CB-CE2 3.41Å; C44-F46 VanDerWaalsContact CB-CE2 3.41Å; C44-F46 HydrophobicContact CB-CZ 3.48Å; C44-F46 VanDerWaalsContact CB-CZ 3.48Å; C44-F46 WeakPolarHBondContact O-CD2 3.34Å; C44-F46 WeakPolarHBondContact O-CE2 3.27Å; C44-C108 HydrophobicContact CB-CB 3.6Å; C44-C108 WeakPolarHBondContact CB-SG 3.29Å; C44-C108 WeakPolarHBondContact SG-CA 3.21Å; C44-C108 WeakPolarHBondContact SG-CB 3.04Å; C44-C108 CovalentContact SG-SG 2.03Å; C44-C108 PolarHBondContact SG-SG 2.95Å
45	H	96.8	Very high	95.5	Very high	67 Å²	67	80.9 Å²	80.9	31%	0.31	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.7	177.6	-69.8	-97.1	0	0	0	109.4	E43 V53 W54	E43-H45 IonicContact OE2-CE1 2.93Å; E43-H45 IonicContact OE2-NE2 3.52Å; E43-H45 PolarHBondContact OE2-NE2 3.34Å; H45-V53 WeakPolarHBondContact O-CA 3.26Å; H45-W54 HydrophobicContact CB-CD2 3.69Å; H45-W54 HydrophobicContact CB-CE3 4.22Å; H45-W54 HydrophobicContact CB-CG 4.19Å; H45-W54 HydrophobicContact CB-CH2 3.91Å; H45-W54 HydrophobicContact CB-CZ2 3.34Å; H45-W54 HydrophobicContact CB-CZ3 4.31Å; H45-W54 AromaticContact CD2-NE1 3.64Å; H45-W54 AromaticContact CG-CE2 3.72Å; H45-W54 AromaticContact CG-CZ2 3.85Å; H45-W54 AromaticContact CG-NE1 3.49Å; H45-W54 PolarHBondContact N-O 3.33Å; H45-W54 PolarHBondContact O-N 3.07Å
46	F	96.4	Very high	96	Very high	74 Å²	74	72.5 Å²	72.5	33%	0.325	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.1	-172.2	-62.1	-81	0	0	0	109.5	C44 G49 V53 C108 Y112	C44-F46 HydrophobicContact CB-CD2 4.36Å; C44-F46 HydrophobicContact CB-CE1 4.47Å; C44-F46 HydrophobicContact CB-CE2 3.41Å; C44-F46 VanDerWaalsContact CB-CE2 3.41Å; C44-F46 HydrophobicContact CB-CZ 3.48Å; C44-F46 VanDerWaalsContact CB-CZ 3.48Å; C44-F46 WeakPolarHBondContact O-CD2 3.34Å; C44-F46 WeakPolarHBondContact O-CE2 3.27Å; F46-G49 WeakPolarHBondContact CB-O 3.1Å; F46-V53 HydrophobicContact CD1-CB 4.43Å; F46-V53 HydrophobicContact CD1-CG1 3.91Å; F46-V53 HydrophobicContact CD1-CG2 3.73Å; F46-V53 HydrophobicContact CE1-CG1 3.71Å; F46-V53 HydrophobicContact CE1-CG2 4.09Å; F46-V53 HydrophobicContact CZ-CG1 4.49Å; F46-C108 HydrophobicContact CE1-CB 4.15Å; F46-C108 HydrophobicContact CZ-CB 4Å; F46-C108 WeakPolarHBondContact CZ-O 3.5Å; F46-Y112 HydrophobicContact CB-CD2 4.39Å; F46-Y112 HydrophobicContact CB-CE2 4.25Å; F46-Y112 AromaticContact CD1-CD2 3.45Å; F46-Y112 HydrophobicContact CD1-CD2 3.45Å; F46-Y112 VanDerWaalsContact CD1-CD2 3.45Å; F46-Y112 HydrophobicContact CD1-CE2 4.07Å; F46-Y112 HydrophobicContact CD1-CG 4.14Å; F46-Y112 HydrophobicContact CD2-CD2 4.04Å; F46-Y112 AromaticContact CE1-CD2 3.6Å; F46-Y112 HydrophobicContact CE1-CD2 3.6Å; F46-Y112 AromaticContact CE1-CG 3.95Å; F46-Y112 HydrophobicContact CE1-CG 3.95Å; F46-Y112 HydrophobicContact CE2-CD2 4.14Å; F46-Y112 AromaticContact CG-CD2 3.7Å; F46-Y112 HydrophobicContact CG-CD2 3.7Å; F46-Y112 HydrophobicContact CG-CE2 4.05Å; F46-Y112 AromaticContact CZ-CD2 3.93Å; F46-Y112 HydrophobicContact CZ-CD2 3.93Å; F46-Y112 HydrophobicContact CZ-CG 4.38Å
47	L	95.6	Very high	96.3	Very high	85 Å²	85	66.6 Å²	66.6	45%	0.445	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.7	174	-176.5	70	0	0	0	109.1	G49 R52 W54	L47-G49 VanDerWaalsContact C-N 3.34Å; L47-G49 PolarHBondContact O-N 2.9Å; L47-R52 HydrophobicContact CB-CB 4.24Å; L47-R52 PolarHBondContact N-O 3.46Å; L47-R52 PolarHBondContact O-N 2.94Å; L47-W54 HydrophobicContact CB-CZ3 4.18Å
48	N	94.9	Very high	96.5	Very high	117 Å²	117	66.1 Å²	66.1	63%	0.626	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	50.8	-174.2	-58.9	-16.4	0	0	0	112.2	T50 E51	N48-T50 PolarHBondContact O-N 3.33Å; N48-E51 HydrophobicContact CB-CB 4.35Å; N48-E51 HydrophobicContact CB-CG 4.44Å; N48-E51 WeakPolarHBondContact CB-OE2 3.41Å; N48-E51 WeakPolarHBondContact O-CG 3.34Å
49	G	93.6	Very high	96.7	Very high	23 Å²	23	61.6 Å²	61.6	24%	0.237	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-120.9	-174.3	0	0	0	0	0	111.5	F46 L47 Y112	F46-G49 WeakPolarHBondContact CB-O 3.1Å; L47-G49 VanDerWaalsContact C-N 3.34Å; L47-G49 PolarHBondContact O-N 2.9Å; G49-Y112 WeakPolarHBondContact CA-OH 3.49Å
50	T	96	Very high	96.7	Very high	59 Å²	59	58.8 Å²	58.8	36%	0.362	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	7.8	-177.5	56.7	0	0	0	0	114	N48 V53 R109 Y112	N48-T50 PolarHBondContact O-N 3.33Å; T50-V53 WeakPolarHBondContact O-CG2 3.5Å; T50-R109 HydrophobicContact CG2-CG 4.34Å; T50-R109 PolarHBondContact O-NE 2.88Å; T50-Y112 HydrophobicContact CG2-CD1 3.34Å; T50-Y112 HydrophobicContact CG2-CD2 4.23Å; T50-Y112 HydrophobicContact CG2-CE1 3.73Å; T50-Y112 HydrophobicContact CG2-CG 3.62Å
51	E	95	Very high	96.7	Very high	151 Å²	151	59.8 Å²	59.8	71%	0.706	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-54.9	177.2	-72.1	-177.5	-176.6	0	0	111	N48	N48-E51 HydrophobicContact CB-CB 4.35Å; N48-E51 HydrophobicContact CB-CG 4.44Å; N48-E51 WeakPolarHBondContact CB-OE2 3.41Å; N48-E51 WeakPolarHBondContact O-CG 3.34Å
52	R	96.5	Very high	96.6	Very high	137 Å²	137	59 Å²	59	52%	0.517	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.3	172.8	-177.5	175.5	-175.6	165.1	2.6	109.8	L47 W54 D72	L47-R52 HydrophobicContact CB-CB 4.24Å; L47-R52 PolarHBondContact N-O 3.46Å; L47-R52 PolarHBondContact O-N 2.94Å; R52-W54 HydrophobicContact CG-CE3 4.02Å; R52-W54 HydrophobicContact CG-CZ3 4.03Å; R52-D72 IonicContact NH2-OD2 3.91Å; R52-D72 PolarHBondContact NH2-OD2 3.06Å
53	V	97.3	Very high	96.5	Very high	8 Å²	8	64.3 Å²	64.3	5%	0.048	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.1	-179.8	-173.2	0	0	0	0	108.5	H45 F46 T50 V104 C108 R109	H45-V53 WeakPolarHBondContact O-CA 3.26Å; F46-V53 HydrophobicContact CD1-CB 4.43Å; F46-V53 HydrophobicContact CD1-CG1 3.91Å; F46-V53 HydrophobicContact CD1-CG2 3.73Å; F46-V53 HydrophobicContact CE1-CG1 3.71Å; F46-V53 HydrophobicContact CE1-CG2 4.09Å; F46-V53 HydrophobicContact CZ-CG1 4.49Å; T50-V53 WeakPolarHBondContact O-CG2 3.5Å; V53-V104 HydrophobicContact CB-CG1 3.87Å; V53-V104 HydrophobicContact CG1-CG1 3.93Å; V53-V104 WeakPolarHBondContact O-CG1 3.4Å; V53-C108 HydrophobicContact CG1-CB 3.6Å; V53-R109 HydrophobicContact CG2-CG 4.04Å
54	W	96.8	Very high	96.5	Very high	63 Å²	63	67.9 Å²	67.9	24%	0.239	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.1	168.7	65	95.2	0	0	0	110.2	H45 L47 R52 S71 D72	H45-W54 HydrophobicContact CB-CD2 3.69Å; H45-W54 HydrophobicContact CB-CE3 4.22Å; H45-W54 HydrophobicContact CB-CG 4.19Å; H45-W54 HydrophobicContact CB-CH2 3.91Å; H45-W54 HydrophobicContact CB-CZ2 3.34Å; H45-W54 HydrophobicContact CB-CZ3 4.31Å; H45-W54 AromaticContact CD2-NE1 3.64Å; H45-W54 AromaticContact CG-CE2 3.72Å; H45-W54 AromaticContact CG-CZ2 3.85Å; H45-W54 AromaticContact CG-NE1 3.49Å; H45-W54 PolarHBondContact N-O 3.33Å; H45-W54 PolarHBondContact O-N 3.07Å; L47-W54 HydrophobicContact CB-CZ3 4.18Å; R52-W54 HydrophobicContact CG-CE3 4.02Å; R52-W54 HydrophobicContact CG-CZ3 4.03Å; W54-S71 VanDerWaalsContact CA-OG 3.27Å; W54-S71 WeakPolarHBondContact CA-OG 3.46Å; W54-S71 WeakPolarHBondContact CB-OG 3.32Å; W54-D72 WeakPolarHBondContact CB-OD1 3.36Å
55	N	97.2	Very high	96.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.3	177.3	-176.1	2.8	0	0	0	108.7	C42 S71 E103 V104	C42-N55 PolarHBondContact SG-OD1 3.38Å; C42-N55 VanDerWaalsContact SG-OD1 3.35Å; N55-S71 PolarHBondContact N-OG 3.05Å; N55-S71 PolarHBondContact O-N 3.49Å; N55-E103 WeakPolarHBondContact ND2-CB 3.39Å; N55-E103 PolarHBondContact ND2-OE2 3.05Å; N55-V104 HydrophobicContact CB-CG2 4.21Å
56	L	97.7	Very high	96.6	Very high	23 Å²	23	64.6 Å²	64.6	12%	0.12	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.7	174	178.1	70.1	0	0	0	108.9	E43 R58 R68 Y69 N70	E43-L56 HydrophobicContact CB-CB 4.25Å; E43-L56 PolarHBondContact N-O 3.02Å; E43-L56 PolarHBondContact O-N 3.08Å; L56-R58 HydrophobicContact CD1-CG 4.42Å; L56-R58 HydrophobicContact CD2-CG 4.11Å; L56-R58 HydrophobicContact CG-CG 3.91Å; L56-R68 HydrophobicContact CD1-CB 4.46Å; L56-Y69 CarbonylContact C-O 3.55Å; L56-Y69 VanDerWaalsContact CA-O 3.32Å; L56-Y69 WeakPolarHBondContact CA-O 3.42Å; L56-N70 HydrophobicContact CD1-CB 4.24Å
57	I	97.9	Very high	96.7	Very high	11 Å²	11	61 Å²	61	6%	0.056	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.6	173.7	-51.3	179.4	0	0	0	108.4	K41 Y59 R68 Y69 E103	K41-I57 CarbonylContact O-C 3.57Å; K41-I57 VanDerWaalsContact O-CA 3.29Å; K41-I57 WeakPolarHBondContact O-CA 3.5Å; I57-Y59 HydrophobicContact CB-CE2 4.32Å; I57-Y59 HydrophobicContact CG2-CD2 4.32Å; I57-Y59 HydrophobicContact CG2-CE2 3.55Å; I57-R68 CarbonylContact O-C 3.52Å; I57-R68 WeakPolarHBondContact O-CA 3.41Å; I57-Y69 HydrophobicContact CD1-CD1 4.45Å; I57-Y69 HydrophobicContact CG1-CD1 4.47Å; I57-Y69 PolarHBondContact N-O 3.48Å; I57-Y69 PolarHBondContact O-N 2.88Å; I57-E103 WeakPolarHBondContact CD1-OE2 3.36Å
58	R	98.2	Very high	96.8	Very high	68 Å²	68	60.9 Å²	60.9	26%	0.257	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.5	-176.9	-57.4	171.6	67	-165.4	-0.4	110.1	A40 K41 E43 L56 I60 E65	A40-R58 CarbonylContact C-O 3.54Å; A40-R58 WeakPolarHBondContact CA-O 3.26Å; K41-R58 HydrophobicContact CB-CB 4.47Å; K41-R58 PolarHBondContact N-O 3.22Å; K41-R58 PolarHBondContact O-N 3.25Å; E43-R58 WeakPolarHBondContact OE1-CD 3.46Å; E43-R58 IonicContact OE1-CZ 3.62Å; E43-R58 IonicContact OE1-NE 3.03Å; E43-R58 IonicContact OE1-NH1 2.7Å; E43-R58 PolarHBondContact OE1-NH1 2.85Å; E43-R58 VanDerWaalsContact OE1-NH1 3.11Å; L56-R58 HydrophobicContact CD1-CG 4.42Å; L56-R58 HydrophobicContact CD2-CG 4.11Å; L56-R58 HydrophobicContact CG-CG 3.91Å; R58-I60 HydrophobicContact CB-CD1 4.47Å; R58-I60 HydrophobicContact CB-CG1 4.46Å; R58-E65 HydrophobicContact CB-CG 4.38Å; R58-E65 IonicContact CZ-OE2 3.27Å; R58-E65 VanDerWaalsContact NE-CD 3.32Å; R58-E65 IonicContact NE-OE1 3.73Å; R58-E65 IonicContact NE-OE2 3.05Å; R58-E65 PolarHBondContact NE-OE2 3.03Å; R58-E65 IonicContact NH2-OE2 3.53Å; R58-E65 PolarHBondContact NH2-OE2 2.99Å
59	Y	98.2	Very high	97	Very high	26 Å²	26	55.3 Å²	55.3	10%	0.102	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121	176.6	-61.2	-98.5	0	0	0	108.7	A40 I57 E65 Y66 A67 Y76 W90	A40-Y59 HydrophobicContact CB-CD1 4.35Å; A40-Y59 HydrophobicContact CB-CE1 4.38Å; I57-Y59 HydrophobicContact CB-CE2 4.32Å; I57-Y59 HydrophobicContact CG2-CD2 4.32Å; I57-Y59 HydrophobicContact CG2-CE2 3.55Å; Y59-E65 WeakPolarHBondContact O-CA 3.27Å; Y59-Y66 VanDerWaalsContact CB-CE1 3.5Å; Y59-Y66 VanDerWaalsContact CB-CZ 3.47Å; Y59-Y66 VanDerWaalsContact O-CD1 3.28Å; Y59-Y66 WeakPolarHBondContact O-CD1 3.29Å; Y59-Y66 PolarHBondContact O-N 3.01Å; Y59-A67 PolarHBondContact N-O 3.47Å; Y59-Y76 HydrophobicContact CE2-CD1 4.21Å; Y59-Y76 AromaticContact CE2-CE1 3.56Å; Y59-Y76 HydrophobicContact CE2-CE1 3.56Å; Y59-Y76 AromaticContact CZ-CE1 3.95Å; Y59-Y76 PolarHBondContact OH-OH 3Å; Y59-W90 AromaticContact CD1-CH2 3.58Å; Y59-W90 HydrophobicContact CD1-CH2 3.58Å; Y59-W90 HydrophobicContact CD1-CZ2 4.28Å; Y59-W90 HydrophobicContact CD1-CZ3 4.31Å; Y59-W90 AromaticContact CD2-CH2 3.87Å; Y59-W90 HydrophobicContact CD2-CH2 3.87Å; Y59-W90 AromaticContact CD2-CZ3 3.74Å; Y59-W90 HydrophobicContact CD2-CZ3 3.74Å; Y59-W90 AromaticContact CE1-CH2 3.66Å; Y59-W90 HydrophobicContact CE1-CH2 3.66Å; Y59-W90 HydrophobicContact CE1-CZ2 4.04Å; Y59-W90 HydrophobicContact CE1-CZ3 4.31Å; Y59-W90 AromaticContact CE2-CH2 3.99Å; Y59-W90 HydrophobicContact CE2-CH2 3.99Å; Y59-W90 AromaticContact CE2-CZ3 3.81Å; Y59-W90 HydrophobicContact CE2-CZ3 3.81Å; Y59-W90 AromaticContact CG-CH2 3.67Å; Y59-W90 HydrophobicContact CG-CH2 3.67Å; Y59-W90 HydrophobicContact CG-CZ3 4.01Å; Y59-W90 AromaticContact CZ-CH2 3.85Å
60	I	98.1	Very high	97.1	Very high	9 Å²	9	56 Å²	56	5%	0.046	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.4	-167.1	-57.1	164.2	0	0	0	108.7	E38 Q39 K41 R58 E64 E65	E38-I60 CarbonylContact C-O 3.54Å; E38-I60 WeakPolarHBondContact CA-O 2.88Å; Q39-I60 HydrophobicContact CB-CB 4.29Å; Q39-I60 PolarHBondContact N-O 3.45Å; Q39-I60 PolarHBondContact O-N 3.45Å; K41-I60 HydrophobicContact CD-CD1 3.84Å; K41-I60 HydrophobicContact CG-CD1 4.21Å; R58-I60 HydrophobicContact CB-CD1 4.47Å; R58-I60 HydrophobicContact CB-CG1 4.46Å; I60-E64 CarbonylContact C-O 3.56Å; I60-E64 WeakPolarHBondContact CA-O 3.46Å; I60-E65 HydrophobicContact CG1-CB 4.14Å; I60-E65 HydrophobicContact CG1-CG 4.26Å
61	Y	96.1	Very high	97.1	Very high	96 Å²	96	54.1 Å²	54.1	38%	0.376	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121	175.7	-177.5	-95.8	0	0	0	109.1	F36 Q63 E64 L82	F36-Y61 HydrophobicContact CB-CE2 4.03Å; F36-Y61 HydrophobicContact CD2-CE2 4.07Å; F36-Y61 HydrophobicContact CG-CE2 4.36Å; Y61-Q63 VanDerWaalsContact C-N 3.27Å; Y61-Q63 PolarHBondContact O-N 2.87Å; Y61-E64 PolarHBondContact N-O 2.93Å; Y61-E64 PolarHBondContact O-N 3.34Å; Y61-E64 VanDerWaalsContact O-O 3.14Å; Y61-L82 HydrophobicContact CD1-CD2 4.29Å; Y61-L82 HydrophobicContact CG-CD2 4.39Å
62	N	94.5	Very high	97.1	Very high	76 Å²	76	51 Å²	51	41%	0.406	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	46.4	-178.1	-71.6	-18.9	0	0	0	113.8	F36 L37 E64	F36-N62 VanDerWaalsContact CA-OD1 3.25Å; F36-N62 WeakPolarHBondContact CA-OD1 3.36Å; L37-N62 PolarHBondContact N-OD1 2.9Å; L37-N62 PolarHBondContact O-N 3.36Å; N62-E64 PolarHBondContact O-N 3.02Å
63	Q	94.8	Very high	97	Very high	170 Å²	170	49.5 Å²	49.5	79%	0.794	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	-1	-178.5	-48.2	175.7	-4.8	0	0	115.3	Y61	Y61-Q63 VanDerWaalsContact C-N 3.27Å; Y61-Q63 PolarHBondContact O-N 2.87Å
64	E	97.3	Very high	96.9	Very high	128 Å²	128	49.8 Å²	49.8	60%	0.598	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.6	172.1	-172.9	173.2	-166.7	0	0	110.3	I60 Y61 N62 Y66 T80	I60-E64 CarbonylContact C-O 3.56Å; I60-E64 WeakPolarHBondContact CA-O 3.46Å; Y61-E64 PolarHBondContact N-O 2.93Å; Y61-E64 PolarHBondContact O-N 3.34Å; Y61-E64 VanDerWaalsContact O-O 3.14Å; N62-E64 PolarHBondContact O-N 3.02Å; E64-Y66 PolarHBondContact O-N 2.82Å; E64-T80 HydrophobicContact CG-CG2 4.33Å
65	E	98.2	Very high	96.9	Very high	19 Å²	19	51.6 Å²	51.6	9%	0.089	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.4	176.3	-172.8	-177.3	162.8	0	0	110.3	R58 Y59 I60 R68 V79	R58-E65 HydrophobicContact CB-CG 4.38Å; R58-E65 IonicContact CZ-OE2 3.27Å; R58-E65 VanDerWaalsContact NE-CD 3.32Å; R58-E65 IonicContact NE-OE1 3.73Å; R58-E65 IonicContact NE-OE2 3.05Å; R58-E65 PolarHBondContact NE-OE2 3.03Å; R58-E65 IonicContact NH2-OE2 3.53Å; R58-E65 PolarHBondContact NH2-OE2 2.99Å; Y59-E65 WeakPolarHBondContact O-CA 3.27Å; I60-E65 HydrophobicContact CG1-CB 4.14Å; I60-E65 HydrophobicContact CG1-CG 4.26Å; E65-R68 WeakPolarHBondContact OE1-CB 3.44Å; E65-R68 IonicContact OE1-CZ 3.83Å; E65-R68 IonicContact OE1-NE 3.11Å; E65-R68 PolarHBondContact OE1-NE 2.94Å; E65-R68 IonicContact OE1-NH2 3.99Å; E65-R68 PolarHBondContact OE1-NH2 3.29Å; E65-R68 IonicContact OE2-CZ 3.74Å; E65-R68 IonicContact OE2-NH2 3.18Å; E65-R68 PolarHBondContact OE2-NH2 3.33Å; E65-V79 HydrophobicContact CG-CG2 4.15Å; E65-V79 WeakPolarHBondContact O-CB 3.32Å; E65-V79 VanDerWaalsContact O-CG1 3.29Å; E65-V79 WeakPolarHBondContact O-CG1 3.41Å
66	Y	98.3	Very high	96.9	Very high	13 Å²	13	51.8 Å²	51.8	5%	0.051	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-27.4	-175.4	73	-96.4	0	0	0	113.2	Y59 E64 V79 T80 G83 D86 W90	Y59-Y66 VanDerWaalsContact CB-CE1 3.5Å; Y59-Y66 VanDerWaalsContact CB-CZ 3.47Å; Y59-Y66 VanDerWaalsContact O-CD1 3.28Å; Y59-Y66 WeakPolarHBondContact O-CD1 3.29Å; Y59-Y66 PolarHBondContact O-N 3.01Å; E64-Y66 PolarHBondContact O-N 2.82Å; Y66-V79 PolarHBondContact O-N 3.47Å; Y66-T80 WeakPolarHBondContact CA-OG1 3.22Å; Y66-T80 WeakPolarHBondContact CB-OG1 3.33Å; Y66-T80 PolarHBondContact O-N 2.83Å; Y66-G83 WeakPolarHBondContact O-CA 3.41Å; Y66-D86 HydrophobicContact CE2-CB 4.3Å; Y66-D86 WeakPolarHBondContact CE2-OD2 3.46Å; Y66-W90 HydrophobicContact CE2-CH2 4.23Å
67	A	98.4	Very high	97	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	154.1	176.8	0	0	0	0	0	111.9	Y59 Q77 W90	Y59-A67 PolarHBondContact N-O 3.47Å; A67-Q77 CarbonylContact C-O 3.58Å; A67-Q77 VanDerWaalsContact CA-O 3.26Å; A67-Q77 WeakPolarHBondContact CA-O 3.02Å; A67-W90 HydrophobicContact CB-CH2 4.45Å; A67-W90 HydrophobicContact CB-CZ3 3.73Å
68	R	98.1	Very high	97	Very high	82 Å²	82	55.6 Å²	55.6	31%	0.309	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150.8	177.5	62.6	175.2	56	175.4	-0.9	113.4	L56 I57 E65 Y76 Q77 V79	L56-R68 HydrophobicContact CD1-CB 4.46Å; I57-R68 CarbonylContact O-C 3.52Å; I57-R68 WeakPolarHBondContact O-CA 3.41Å; E65-R68 WeakPolarHBondContact OE1-CB 3.44Å; E65-R68 IonicContact OE1-CZ 3.83Å; E65-R68 IonicContact OE1-NE 3.11Å; E65-R68 PolarHBondContact OE1-NE 2.94Å; E65-R68 IonicContact OE1-NH2 3.99Å; E65-R68 PolarHBondContact OE1-NH2 3.29Å; E65-R68 IonicContact OE2-CZ 3.74Å; E65-R68 IonicContact OE2-NH2 3.18Å; E65-R68 PolarHBondContact OE2-NH2 3.33Å; R68-Y76 CarbonylContact O-C 3.54Å; R68-Y76 VanDerWaalsContact O-CA 3.29Å; R68-Y76 WeakPolarHBondContact O-CA 3.01Å; R68-Q77 HydrophobicContact CG-CB 4.12Å; R68-Q77 PolarHBondContact N-O 3.32Å; R68-Q77 PolarHBondContact O-N 2.85Å; R68-V79 HydrophobicContact CB-CG2 4.34Å; R68-V79 HydrophobicContact CG-CG2 3.83Å
69	Y	98.2	Very high	97	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.6	166.8	173.2	-92	0	0	0	109.1	L56 I57 G74 Y76 L97 R100 R101	L56-Y69 CarbonylContact C-O 3.55Å; L56-Y69 VanDerWaalsContact CA-O 3.32Å; L56-Y69 WeakPolarHBondContact CA-O 3.42Å; I57-Y69 HydrophobicContact CD1-CD1 4.45Å; I57-Y69 HydrophobicContact CG1-CD1 4.47Å; I57-Y69 PolarHBondContact N-O 3.48Å; I57-Y69 PolarHBondContact O-N 2.88Å; Y69-G74 VanDerWaalsContact CE2-C 3.47Å; Y69-Y76 AromaticContact CD2-CD2 3.85Å; Y69-Y76 HydrophobicContact CD2-CD2 3.85Å; Y69-Y76 AromaticContact CD2-CE2 3.9Å; Y69-Y76 HydrophobicContact CD2-CE2 3.9Å; Y69-Y76 HydrophobicContact CD2-CG 4.26Å; Y69-Y76 HydrophobicContact CG-CE2 4.42Å; Y69-L97 HydrophobicContact CE2-CD2 4.25Å; Y69-R100 HydrophobicContact CD1-CB 4.21Å; Y69-R100 HydrophobicContact CD2-CB 4.31Å; Y69-R100 HydrophobicContact CE1-CB 3.66Å; Y69-R100 HydrophobicContact CE2-CB 3.77Å; Y69-R100 VanDerWaalsContact CZ-CB 3.42Å; Y69-R101 WeakPolarHBondContact OH-CG 3.08Å; Y69-R101 PolarHBondContact OH-N 2.97Å
70	N	96.6	Very high	96.9	Very high	36 Å²	36	55.9 Å²	55.9	19%	0.193	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.7	171.2	-178.8	-9.7	0	0	0	108.7	L56 D72 L73 G74	L56-N70 HydrophobicContact CD1-CB 4.24Å; N70-D72 PolarHBondContact O-N 3.01Å; N70-D72 PolarHBondContact OD1-N 3.35Å; N70-L73 HydrophobicContact CB-CB 4.5Å; N70-L73 HydrophobicContact CB-CD1 4.31Å; N70-L73 PolarHBondContact O-N 3.47Å; N70-G74 PolarHBondContact O-N 3.36Å
71	S	96.4	Very high	96.9	Very high	20 Å²	20	61.6 Å²	61.6	14%	0.14	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.9	-178.1	64.8	0	0	0	0	114.3	W54 N55 L73 G74 V104	W54-S71 VanDerWaalsContact CA-OG 3.27Å; W54-S71 WeakPolarHBondContact CA-OG 3.46Å; W54-S71 WeakPolarHBondContact CB-OG 3.32Å; N55-S71 PolarHBondContact N-OG 3.05Å; N55-S71 PolarHBondContact O-N 3.49Å; S71-L73 PolarHBondContact O-N 2.87Å; S71-G74 PolarHBondContact O-N 3.48Å; S71-V104 VanDerWaalsContact CB-CG2 3.48Å; S71-V104 WeakPolarHBondContact OG-CG2 3.44Å
72	D	93.9	Very high	96.9	Very high	85 Å²	85	62 Å²	62	46%	0.455	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.4	174.6	-83	7.8	0	0	0	111.3	R52 W54 N70	R52-D72 IonicContact NH2-OD2 3.91Å; R52-D72 PolarHBondContact NH2-OD2 3.06Å; W54-D72 WeakPolarHBondContact CB-OD1 3.36Å; N70-D72 PolarHBondContact O-N 3.01Å; N70-D72 PolarHBondContact OD1-N 3.35Å
73	L	94.9	Very high	97	Very high	106 Å²	106	58.4 Å²	58.4	56%	0.555	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-31.4	176.5	-66.6	169.3	0	0	0	111.8	N70 S71 E75	N70-L73 HydrophobicContact CB-CB 4.5Å; N70-L73 HydrophobicContact CB-CD1 4.31Å; N70-L73 PolarHBondContact O-N 3.47Å; S71-L73 PolarHBondContact O-N 2.87Å; L73-E75 VanDerWaalsContact C-N 3.31Å; L73-E75 PolarHBondContact O-N 2.98Å
74	G	95.4	Very high	97.2	Very high	14 Å²	14	55.7 Å²	55.7	14%	0.144	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	10.8	174.3	0	0	0	0	0	115	Y69 N70 S71	Y69-G74 VanDerWaalsContact CE2-C 3.47Å; N70-G74 PolarHBondContact O-N 3.36Å; S71-G74 PolarHBondContact O-N 3.48Å
75	E	96.2	Very high	97.3	Very high	101 Å²	101	53.4 Å²	53.4	47%	0.472	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	160.3	179	66.9	179.6	-162.8	0	0	112.2	L73	L73-E75 VanDerWaalsContact C-N 3.31Å; L73-E75 PolarHBondContact O-N 2.98Å
76	Y	98.1	Very high	97.2	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.3	171.6	-72.2	-96.9	0	0	0	111	Y59 R68 Y69 W90 N91 L96 L97 R100	Y59-Y76 HydrophobicContact CE2-CD1 4.21Å; Y59-Y76 AromaticContact CE2-CE1 3.56Å; Y59-Y76 HydrophobicContact CE2-CE1 3.56Å; Y59-Y76 AromaticContact CZ-CE1 3.95Å; Y59-Y76 PolarHBondContact OH-OH 3Å; R68-Y76 CarbonylContact O-C 3.54Å; R68-Y76 VanDerWaalsContact O-CA 3.29Å; R68-Y76 WeakPolarHBondContact O-CA 3.01Å; Y69-Y76 AromaticContact CD2-CD2 3.85Å; Y69-Y76 HydrophobicContact CD2-CD2 3.85Å; Y69-Y76 AromaticContact CD2-CE2 3.9Å; Y69-Y76 HydrophobicContact CD2-CE2 3.9Å; Y69-Y76 HydrophobicContact CD2-CG 4.26Å; Y69-Y76 HydrophobicContact CG-CE2 4.42Å; Y76-W90 HydrophobicContact CD1-CB 4.26Å; Y76-W90 HydrophobicContact CD1-CD2 4.02Å; Y76-W90 AromaticContact CD1-CE3 3.16Å; Y76-W90 HydrophobicContact CD1-CE3 3.16Å; Y76-W90 AromaticContact CD1-CZ3 3.75Å; Y76-W90 HydrophobicContact CD1-CZ3 3.75Å; Y76-W90 HydrophobicContact CD2-CB 3.57Å; Y76-W90 HydrophobicContact CE1-CB 4.35Å; Y76-W90 AromaticContact CE1-CD2 3.91Å; Y76-W90 HydrophobicContact CE1-CD2 3.91Å; Y76-W90 AromaticContact CE1-CE3 3.38Å; Y76-W90 HydrophobicContact CE1-CE3 3.38Å; Y76-W90 HydrophobicContact CE1-CG 4.35Å; Y76-W90 AromaticContact CE1-CZ3 3.88Å; Y76-W90 HydrophobicContact CE1-CZ3 3.88Å; Y76-W90 HydrophobicContact CE2-CB 3.75Å; Y76-W90 HydrophobicContact CE2-CG 4.45Å; Y76-W90 HydrophobicContact CG-CB 3.84Å; Y76-W90 HydrophobicContact CG-CD2 4.44Å; Y76-W90 AromaticContact CG-CE3 3.79Å; Y76-W90 HydrophobicContact CG-CE3 3.79Å; Y76-N91 WeakPolarHBondContact CB-OD1 3.36Å; Y76-N91 PolarHBondContact N-OD1 3.25Å; Y76-N91 PolarHBondContact O-ND2 2.95Å; Y76-L96 HydrophobicContact CE2-CD2 4.06Å; Y76-L96 HydrophobicContact CE2-CG 4.3Å; Y76-L97 HydrophobicContact CD2-CD2 3.79Å; Y76-L97 HydrophobicContact CE2-CD2 4Å; Y76-R100 HydrophobicContact CE2-CG 4.26Å; Y76-R100 PolarHBondContact OH-NE 2.78Å; Y76-R100 PolarHBondContact OH-NH2 3.4Å
77	Q	98.1	Very high	97.2	Very high	69 Å²	69	54.7 Å²	54.7	32%	0.322	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.5	175.1	-75.2	161.2	68.7	0	0	109.9	A67 R68 V79	A67-Q77 CarbonylContact C-O 3.58Å; A67-Q77 VanDerWaalsContact CA-O 3.26Å; A67-Q77 WeakPolarHBondContact CA-O 3.02Å; R68-Q77 HydrophobicContact CG-CB 4.12Å; R68-Q77 PolarHBondContact N-O 3.32Å; R68-Q77 PolarHBondContact O-N 2.85Å; Q77-V79 PolarHBondContact O-N 2.93Å
78	A	98.1	Very high	97.2	Very high	45 Å²	45	60.5 Å²	60.5	37%	0.372	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	120.8	165.7	0	0	0	0	0	109.1	R84 A87	A78-R84 HydrophobicContact CB-CB 4.22Å; A78-A87 HydrophobicContact CB-CB 4.14Å
79	V	98	Very high	97.2	Very high	66 Å²	66	63.1 Å²	63.1	40%	0.4	33%	0.325	S	S	.	.	S	Bend	trans	-84.7	-32.1	173	-178.7	0	0	0	0	109.9	E65 Y66 R68 Q77	E65-V79 HydrophobicContact CG-CG2 4.15Å; E65-V79 WeakPolarHBondContact O-CB 3.32Å; E65-V79 VanDerWaalsContact O-CG1 3.29Å; E65-V79 WeakPolarHBondContact O-CG1 3.41Å; Y66-V79 PolarHBondContact O-N 3.47Å; R68-V79 HydrophobicContact CB-CG2 4.34Å; R68-V79 HydrophobicContact CG-CG2 3.83Å; Q77-V79 PolarHBondContact O-N 2.93Å
80	T	97.9	Very high	97.2	Very high	34 Å²	34	64.8 Å²	64.8	21%	0.209	33%	0.331	C	S	.	.	S	Bend	trans	-131.2	167.6	175.2	68.7	0	0	0	0	111	E64 Y66 L82 G83	E64-T80 HydrophobicContact CG-CG2 4.33Å; Y66-T80 WeakPolarHBondContact CA-OG1 3.22Å; Y66-T80 WeakPolarHBondContact CB-OG1 3.33Å; Y66-T80 PolarHBondContact O-N 2.83Å; T80-L82 PolarHBondContact O-N 2.82Å; T80-G83 PolarHBondContact O-N 2.81Å
81	E	97.4	Very high	97.3	Very high	129 Å²	129	65.3 Å²	65.3	60%	0.603	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-56.9	-33.3	175.8	-65.8	-63.5	132.5	0	0	112.7	G83 R84	E81-G83 PolarHBondContact O-N 2.75Å; E81-R84 PolarHBondContact O-N 2.82Å; E81-R84 IonicContact OE1-CZ 2.81Å; E81-R84 IonicContact OE1-NH1 2.83Å; E81-R84 IonicContact OE1-NH2 3.15Å; E81-R84 PolarHBondContact OE1-NH2 3.17Å; E81-R84 IonicContact OE2-CZ 4Å; E81-R84 IonicContact OE2-NH1 3.88Å; E81-R84 PolarHBondContact OE2-NH1 2.94Å; E81-R84 IonicContact OE2-NH2 3.52Å; E81-R84 PolarHBondContact OE2-NH2 3.47Å
82	L	95.5	Very high	97.4	Very high	106 Å²	106	68.3 Å²	68.3	56%	0.555	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-58.7	-36.5	176.3	-179.9	65.7	0	0	0	111.7	Y61 T80 P85	Y61-L82 HydrophobicContact CD1-CD2 4.29Å; Y61-L82 HydrophobicContact CG-CD2 4.39Å; T80-L82 PolarHBondContact O-N 2.82Å; L82-P85 WeakPolarHBondContact O-CD 3.45Å
83	G	97.9	Very high	97.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-85.3	-5.4	-177.9	0	0	0	0	0	116	Y66 T80 E81 D86 A87	Y66-G83 WeakPolarHBondContact O-CA 3.41Å; T80-G83 PolarHBondContact O-N 2.81Å; E81-G83 PolarHBondContact O-N 2.75Å; G83-D86 PolarHBondContact O-N 2.91Å; G83-A87 WeakPolarHBondContact O-CB 3.29Å; G83-A87 PolarHBondContact O-N 3.08Å
84	R	98.4	Very high	97.7	Very high	112 Å²	112	69.5 Å²	69.5	42%	0.423	35%	0.352	S	S	.	.	H	α-helix	trans	-58.9	-50.3	-179.9	-178.5	-179.3	-65.2	137.6	8.6	112.5	A78 E81 D86 A87 E88	A78-R84 HydrophobicContact CB-CB 4.22Å; E81-R84 PolarHBondContact O-N 2.82Å; E81-R84 IonicContact OE1-CZ 2.81Å; E81-R84 IonicContact OE1-NH1 2.83Å; E81-R84 IonicContact OE1-NH2 3.15Å; E81-R84 PolarHBondContact OE1-NH2 3.17Å; E81-R84 IonicContact OE2-CZ 4Å; E81-R84 IonicContact OE2-NH1 3.88Å; E81-R84 PolarHBondContact OE2-NH1 2.94Å; E81-R84 IonicContact OE2-NH2 3.52Å; E81-R84 PolarHBondContact OE2-NH2 3.47Å; R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 PolarHBondContact O-N 3.46Å; R84-A87 PolarHBondContact O-N 2.78Å; R84-E88 WeakPolarHBondContact CD-OE1 3.33Å; R84-E88 HydrophobicContact CG-CG 4.35Å; R84-E88 WeakPolarHBondContact CG-OE1 3.46Å; R84-E88 WeakPolarHBondContact O-CB 3.49Å; R84-E88 WeakPolarHBondContact O-CG 3.49Å; R84-E88 PolarHBondContact O-N 3.26Å
85	P	98.3	Very high	97.8	Very high	80 Å²	80	74.1 Å²	74.1	52%	0.519	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-39.7	179.8	-21.8	34.5	0	0	0	112.4	L82 Y89	L82-P85 WeakPolarHBondContact O-CD 3.45Å; P85-Y89 VanDerWaalsContact O-CB 3.27Å; P85-Y89 WeakPolarHBondContact O-CB 3.4Å; P85-Y89 PolarHBondContact O-N 2.74Å
86	D	97.7	Very high	97.8	Very high	55 Å²	55	70.6 Å²	70.6	29%	0.294	36%	0.358	S	S	.	.	H	α-helix	trans	-67.6	-46	179.1	-71.8	-23.7	0	0	0	111.6	Y66 G83 R84 E88 Y89 W90	Y66-D86 HydrophobicContact CE2-CB 4.3Å; Y66-D86 WeakPolarHBondContact CE2-OD2 3.46Å; G83-D86 PolarHBondContact O-N 2.91Å; R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 PolarHBondContact O-N 3.46Å; D86-E88 PolarHBondContact O-N 2.93Å; D86-Y89 PolarHBondContact O-N 3.07Å; D86-W90 HydrophobicContact CB-CD2 4.27Å; D86-W90 HydrophobicContact CB-CE3 4.13Å; D86-W90 HydrophobicContact CB-CH2 3.85Å; D86-W90 HydrophobicContact CB-CZ2 3.93Å; D86-W90 HydrophobicContact CB-CZ3 3.96Å; D86-W90 WeakPolarHBondContact O-CB 3.27Å; D86-W90 PolarHBondContact O-N 2.92Å
87	A	98.2	Very high	97.8	Very high	5 Å²	5	71.4 Å²	71.4	4%	0.041	36%	0.362	C	S	.	.	H	α-helix	trans	-62.3	-44.3	177.7	0	0	0	0	0	111.7	A78 G83 R84 N91	A78-A87 HydrophobicContact CB-CB 4.14Å; G83-A87 WeakPolarHBondContact O-CB 3.29Å; G83-A87 PolarHBondContact O-N 3.08Å; R84-A87 PolarHBondContact O-N 2.78Å; A87-N91 WeakPolarHBondContact O-CB 3.42Å; A87-N91 PolarHBondContact O-N 2.79Å; A87-N91 PolarHBondContact O-ND2 2.7Å; A87-N91 VanDerWaalsContact O-ND2 3.14Å
88	E	98.2	Very high	97.8	Very high	122 Å²	122	73.9 Å²	73.9	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-60.3	-47.3	174.9	-73.7	173.2	-173.2	0	0	111.5	R84 D86 N91 S92	R84-E88 WeakPolarHBondContact CD-OE1 3.33Å; R84-E88 HydrophobicContact CG-CG 4.35Å; R84-E88 WeakPolarHBondContact CG-OE1 3.46Å; R84-E88 WeakPolarHBondContact O-CB 3.49Å; R84-E88 WeakPolarHBondContact O-CG 3.49Å; R84-E88 PolarHBondContact O-N 3.26Å; D86-E88 PolarHBondContact O-N 2.93Å; E88-N91 PolarHBondContact O-N 2.89Å; E88-S92 PolarHBondContact O-N 2.85Å
89	Y	98.4	Very high	97.7	Very high	136 Å²	136	79.8 Å²	79.8	53%	0.533	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-46.9	178.6	175.1	-113.9	0	0	0	112.3	P85 D86 N91 S92	P85-Y89 VanDerWaalsContact O-CB 3.27Å; P85-Y89 WeakPolarHBondContact O-CB 3.4Å; P85-Y89 PolarHBondContact O-N 2.74Å; D86-Y89 PolarHBondContact O-N 3.07Å; Y89-N91 PolarHBondContact O-N 2.9Å; Y89-S92 WeakPolarHBondContact O-CB 3.42Å; Y89-S92 PolarHBondContact O-N 2.82Å; Y89-S92 PolarHBondContact O-OG 2.86Å
90	W	98.4	Very high	97.6	Very high	35 Å²	35	78.7 Å²	78.7	13%	0.133	38%	0.375	C	S	.	.	H	α-helix	trans	-66.7	-36.4	179	-62.9	-28	0	0	0	112.3	Y59 Y66 A67 Y76 D86 S92 Q93 L96	Y59-W90 AromaticContact CD1-CH2 3.58Å; Y59-W90 HydrophobicContact CD1-CH2 3.58Å; Y59-W90 HydrophobicContact CD1-CZ2 4.28Å; Y59-W90 HydrophobicContact CD1-CZ3 4.31Å; Y59-W90 AromaticContact CD2-CH2 3.87Å; Y59-W90 HydrophobicContact CD2-CH2 3.87Å; Y59-W90 AromaticContact CD2-CZ3 3.74Å; Y59-W90 HydrophobicContact CD2-CZ3 3.74Å; Y59-W90 AromaticContact CE1-CH2 3.66Å; Y59-W90 HydrophobicContact CE1-CH2 3.66Å; Y59-W90 HydrophobicContact CE1-CZ2 4.04Å; Y59-W90 HydrophobicContact CE1-CZ3 4.31Å; Y59-W90 AromaticContact CE2-CH2 3.99Å; Y59-W90 HydrophobicContact CE2-CH2 3.99Å; Y59-W90 AromaticContact CE2-CZ3 3.81Å; Y59-W90 HydrophobicContact CE2-CZ3 3.81Å; Y59-W90 AromaticContact CG-CH2 3.67Å; Y59-W90 HydrophobicContact CG-CH2 3.67Å; Y59-W90 HydrophobicContact CG-CZ3 4.01Å; Y59-W90 AromaticContact CZ-CH2 3.85Å; Y66-W90 HydrophobicContact CE2-CH2 4.23Å; A67-W90 HydrophobicContact CB-CH2 4.45Å; A67-W90 HydrophobicContact CB-CZ3 3.73Å; Y76-W90 HydrophobicContact CD1-CB 4.26Å; Y76-W90 HydrophobicContact CD1-CD2 4.02Å; Y76-W90 AromaticContact CD1-CE3 3.16Å; Y76-W90 HydrophobicContact CD1-CE3 3.16Å; Y76-W90 AromaticContact CD1-CZ3 3.75Å; Y76-W90 HydrophobicContact CD1-CZ3 3.75Å; Y76-W90 HydrophobicContact CD2-CB 3.57Å; Y76-W90 HydrophobicContact CE1-CB 4.35Å; Y76-W90 AromaticContact CE1-CD2 3.91Å; Y76-W90 HydrophobicContact CE1-CD2 3.91Å; Y76-W90 AromaticContact CE1-CE3 3.38Å; Y76-W90 HydrophobicContact CE1-CE3 3.38Å; Y76-W90 HydrophobicContact CE1-CG 4.35Å; Y76-W90 AromaticContact CE1-CZ3 3.88Å; Y76-W90 HydrophobicContact CE1-CZ3 3.88Å; Y76-W90 HydrophobicContact CE2-CB 3.75Å; Y76-W90 HydrophobicContact CE2-CG 4.45Å; Y76-W90 HydrophobicContact CG-CB 3.84Å; Y76-W90 HydrophobicContact CG-CD2 4.44Å; Y76-W90 AromaticContact CG-CE3 3.79Å; Y76-W90 HydrophobicContact CG-CE3 3.79Å; D86-W90 HydrophobicContact CB-CD2 4.27Å; D86-W90 HydrophobicContact CB-CE3 4.13Å; D86-W90 HydrophobicContact CB-CH2 3.85Å; D86-W90 HydrophobicContact CB-CZ2 3.93Å; D86-W90 HydrophobicContact CB-CZ3 3.96Å; D86-W90 WeakPolarHBondContact O-CB 3.27Å; D86-W90 PolarHBondContact O-N 2.92Å; W90-S92 VanDerWaalsContact C-N 3.27Å; W90-S92 PolarHBondContact O-N 2.02Å; W90-Q93 PolarHBondContact O-N 3.07Å; W90-L96 HydrophobicContact CB-CD2 3.82Å; W90-L96 HydrophobicContact CG-CD2 4.04Å
91	N	98.2	Very high	97.6	Very high	48 Å²	48	82.3 Å²	82.3	26%	0.257	39%	0.385	S	S	.	.	H	α-helix	trans	-68.9	-24.9	173.8	-73.3	-24.2	0	0	0	113.2	Y76 A87 E88 Y89 Q93 L97	Y76-N91 WeakPolarHBondContact CB-OD1 3.36Å; Y76-N91 PolarHBondContact N-OD1 3.25Å; Y76-N91 PolarHBondContact O-ND2 2.95Å; A87-N91 WeakPolarHBondContact O-CB 3.42Å; A87-N91 PolarHBondContact O-N 2.79Å; A87-N91 PolarHBondContact O-ND2 2.7Å; A87-N91 VanDerWaalsContact O-ND2 3.14Å; E88-N91 PolarHBondContact O-N 2.89Å; Y89-N91 PolarHBondContact O-N 2.9Å; N91-Q93 PolarHBondContact O-N 3.27Å; N91-L97 WeakPolarHBondContact O-CD1 3.23Å
92	S	98.1	Very high	97.5	Very high	82 Å²	82	78.2 Å²	78.2	57%	0.573	37%	0.373	S	S	*	.	H	α-helix	trans	-72.1	-17.9	174.1	80.8	0	0	0	0	113.6	E88 Y89 W90 K94	E88-S92 PolarHBondContact O-N 2.85Å; Y89-S92 WeakPolarHBondContact O-CB 3.42Å; Y89-S92 PolarHBondContact O-N 2.82Å; Y89-S92 PolarHBondContact O-OG 2.86Å; W90-S92 VanDerWaalsContact C-N 3.27Å; W90-S92 PolarHBondContact O-N 2.02Å; S92-K94 PolarHBondContact O-N 3.05Å
93	Q	98	Very high	97.6	Very high	50 Å²	50	74.2 Å²	74.2	23%	0.234	35%	0.351	C	S	.	.			trans	-92.4	97.7	-177.7	-69.3	-177.9	85.3	0	0	111.6	W90 N91 D95 L96 L97	W90-Q93 PolarHBondContact O-N 3.07Å; N91-Q93 PolarHBondContact O-N 3.27Å; Q93-D95 PolarHBondContact O-N 2.82Å; Q93-L96 HydrophobicContact CB-CB 3.67Å; Q93-L96 HydrophobicContact CB-CD2 4.33Å; Q93-L96 WeakPolarHBondContact O-CB 3.39Å; Q93-L96 PolarHBondContact O-N 2.87Å; Q93-L97 PolarHBondContact O-N 2.81Å
94	K	97.1	Very high	97.6	Very high	167 Å²	167	74.9 Å²	74.9	73%	0.726	36%	0.356	S	S	*	.	H	α-helix	trans	-62.2	-41.1	-176.9	-69.5	-174.9	177.9	-179.3	0	113.5	S92 L97 E98	S92-K94 PolarHBondContact O-N 3.05Å; K94-L97 PolarHBondContact O-N 3.45Å; K94-E98 WeakPolarHBondContact O-CB 3.41Å; K94-E98 WeakPolarHBondContact O-CG 3.31Å; K94-E98 PolarHBondContact O-N 2.78Å
95	D	97.6	Very high	97.6	Very high	111 Å²	111	73.9 Å²	73.9	59%	0.594	36%	0.358	S	S	*	.	H	α-helix	trans	-63.9	-40.7	177.4	62.3	-42.6	0	0	0	111.6	Q93 E98 R99	Q93-D95 PolarHBondContact O-N 2.82Å; D95-E98 PolarHBondContact O-N 3.46Å; D95-R99 WeakPolarHBondContact O-CB 3.23Å; D95-R99 PolarHBondContact O-N 2.83Å
96	L	97	Very high	97.5	Very high	26 Å²	26	74.5 Å²	74.5	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-50.5	172.7	179.2	62.7	0	0	0	110.8	Y76 W90 Q93 E98 R99 R100	Y76-L96 HydrophobicContact CE2-CD2 4.06Å; Y76-L96 HydrophobicContact CE2-CG 4.3Å; W90-L96 HydrophobicContact CB-CD2 3.82Å; W90-L96 HydrophobicContact CG-CD2 4.04Å; Q93-L96 HydrophobicContact CB-CB 3.67Å; Q93-L96 HydrophobicContact CB-CD2 4.33Å; Q93-L96 WeakPolarHBondContact O-CB 3.39Å; Q93-L96 PolarHBondContact O-N 2.87Å; L96-E98 VanDerWaalsContact C-N 3.35Å; L96-E98 PolarHBondContact O-N 2.96Å; L96-R99 PolarHBondContact O-N 2.96Å; L96-R100 HydrophobicContact CD1-CG 4.26Å; L96-R100 HydrophobicContact CG-CG 4.44Å; L96-R100 WeakPolarHBondContact O-CB 3.29Å; L96-R100 WeakPolarHBondContact O-CG 3.39Å; L96-R100 PolarHBondContact O-N 3Å
97	L	97.7	Very high	97.4	Very high	21 Å²	21	76.9 Å²	76.9	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-39.3	179.4	-67	-178.5	0	0	0	112.6	Y69 Y76 N91 Q93 K94 R100 R101	Y69-L97 HydrophobicContact CE2-CD2 4.25Å; Y76-L97 HydrophobicContact CD2-CD2 3.79Å; Y76-L97 HydrophobicContact CE2-CD2 4Å; N91-L97 WeakPolarHBondContact O-CD1 3.23Å; Q93-L97 PolarHBondContact O-N 2.81Å; K94-L97 PolarHBondContact O-N 3.45Å; L97-R100 PolarHBondContact O-N 2.86Å; L97-R101 WeakPolarHBondContact O-CG 3.07Å; L97-R101 PolarHBondContact O-N 2.78Å
98	E	97.2	Very high	97.4	Very high	122 Å²	122	76.7 Å²	76.7	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-61	-46.7	173.8	-78.3	-179.5	-175.7	0	0	111.7	K94 D95 L96 R100 R101 A102	K94-E98 WeakPolarHBondContact O-CB 3.41Å; K94-E98 WeakPolarHBondContact O-CG 3.31Å; K94-E98 PolarHBondContact O-N 2.78Å; D95-E98 PolarHBondContact O-N 3.46Å; L96-E98 VanDerWaalsContact C-N 3.35Å; L96-E98 PolarHBondContact O-N 2.96Å; E98-R100 VanDerWaalsContact C-N 3.33Å; E98-R100 PolarHBondContact O-N 2.92Å; E98-R101 PolarHBondContact O-N 3.06Å; E98-A102 PolarHBondContact O-N 3.06Å
99	R	96.6	Very high	97.4	Very high	169 Å²	169	74.5 Å²	74.5	64%	0.638	35%	0.351	S	S	*	.	H	α-helix	trans	-59.3	-44.4	175.1	-179	178.7	176.3	170.1	2.9	111.5	D95 L96 R101 A102 E103	D95-R99 WeakPolarHBondContact O-CB 3.23Å; D95-R99 PolarHBondContact O-N 2.83Å; L96-R99 PolarHBondContact O-N 2.96Å; R99-R101 PolarHBondContact O-N 3.05Å; R99-A102 PolarHBondContact O-N 3.04Å; R99-A102 VanDerWaalsContact O-N 3.17Å; R99-E103 WeakPolarHBondContact O-CG 3.44Å; R99-E103 PolarHBondContact O-N 3.22Å; R99-E103 VanDerWaalsContact O-N 3.08Å
100	R	96.9	Very high	97.3	Very high	42 Å²	42	75.5 Å²	75.5	16%	0.158	36%	0.355	C	S	.	.	H	α-helix	trans	-65.4	-35	179.5	-68.9	-65.8	-175.9	-121.4	-4.7	113.2	Y69 Y76 L96 L97 E98 E103	Y69-R100 HydrophobicContact CD1-CB 4.21Å; Y69-R100 HydrophobicContact CD2-CB 4.31Å; Y69-R100 HydrophobicContact CE1-CB 3.66Å; Y69-R100 HydrophobicContact CE2-CB 3.77Å; Y69-R100 VanDerWaalsContact CZ-CB 3.42Å; Y76-R100 HydrophobicContact CE2-CG 4.26Å; Y76-R100 PolarHBondContact OH-NE 2.78Å; Y76-R100 PolarHBondContact OH-NH2 3.4Å; L96-R100 HydrophobicContact CD1-CG 4.26Å; L96-R100 HydrophobicContact CG-CG 4.44Å; L96-R100 WeakPolarHBondContact O-CB 3.29Å; L96-R100 WeakPolarHBondContact O-CG 3.39Å; L96-R100 PolarHBondContact O-N 3Å; L97-R100 PolarHBondContact O-N 2.86Å; E98-R100 VanDerWaalsContact C-N 3.33Å; E98-R100 PolarHBondContact O-N 2.92Å; R100-E103 WeakPolarHBondContact CD-OE2 3.25Å; R100-E103 IonicContact CZ-OE1 3.9Å; R100-E103 IonicContact NH1-OE1 2.82Å; R100-E103 PolarHBondContact NH1-OE1 3Å; R100-E103 IonicContact NH1-OE2 3.79Å; R100-E103 PolarHBondContact O-N 2.82Å
101	R	95.9	Very high	97.2	Very high	111 Å²	111	76.5 Å²	76.5	42%	0.419	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-42.8	170.8	-73.8	-173.4	-67.8	-89.6	3	111.4	Y69 L97 E98 R99 E103 V104	Y69-R101 WeakPolarHBondContact OH-CG 3.08Å; Y69-R101 PolarHBondContact OH-N 2.97Å; L97-R101 WeakPolarHBondContact O-CG 3.07Å; L97-R101 PolarHBondContact O-N 2.78Å; E98-R101 PolarHBondContact O-N 3.06Å; R99-R101 PolarHBondContact O-N 3.05Å; R101-E103 PolarHBondContact O-N 3.38Å; R101-V104 PolarHBondContact O-N 3.03Å
102	A	96.8	Very high	97.2	Very high	42 Å²	42	75.5 Å²	75.5	35%	0.347	36%	0.356	S	S	.	.	H	α-helix	trans	-67.4	-20.4	179.2	0	0	0	0	0	113.8	E98 R99 V104 D105 T106	E98-A102 PolarHBondContact O-N 3.06Å; R99-A102 PolarHBondContact O-N 3.04Å; R99-A102 VanDerWaalsContact O-N 3.17Å; A102-V104 PolarHBondContact O-N 3.24Å; A102-D105 PolarHBondContact O-N 3.24Å; A102-D105 VanDerWaalsContact O-N 3.17Å; A102-T106 HydrophobicContact CB-CG2 4.45Å; A102-T106 WeakPolarHBondContact O-CB 3.46Å; A102-T106 WeakPolarHBondContact O-CG2 3.5Å; A102-T106 PolarHBondContact O-N 3.27Å; A102-T106 PolarHBondContact O-OG1 3.24Å
103	E	97.3	Very high	97.1	Very high	22 Å²	22	74.1 Å²	74.1	10%	0.103	36%	0.355	C	S	.	.	H	α-helix	trans	-64.2	-21.5	178	-78.6	171	-174	0	0	113.6	N55 I57 R99 R100 R101 D105 T106 Y107 C108	N55-E103 WeakPolarHBondContact ND2-CB 3.39Å; N55-E103 PolarHBondContact ND2-OE2 3.05Å; I57-E103 WeakPolarHBondContact CD1-OE2 3.36Å; R99-E103 WeakPolarHBondContact O-CG 3.44Å; R99-E103 PolarHBondContact O-N 3.22Å; R99-E103 VanDerWaalsContact O-N 3.08Å; R100-E103 WeakPolarHBondContact CD-OE2 3.25Å; R100-E103 IonicContact CZ-OE1 3.9Å; R100-E103 IonicContact NH1-OE1 2.82Å; R100-E103 PolarHBondContact NH1-OE1 3Å; R100-E103 IonicContact NH1-OE2 3.79Å; R100-E103 PolarHBondContact O-N 2.82Å; R101-E103 PolarHBondContact O-N 3.38Å; E103-D105 VanDerWaalsContact C-N 3.27Å; E103-D105 PolarHBondContact O-N 2.83Å; E103-T106 WeakPolarHBondContact CA-OG1 3.4Å; E103-Y107 CarbonylContact O-C 3.58Å; E103-Y107 WeakPolarHBondContact O-CA 3.35Å; E103-Y107 VanDerWaalsContact O-CB 3.24Å; E103-Y107 WeakPolarHBondContact O-CB 3.33Å; E103-Y107 PolarHBondContact O-N 2.7Å; E103-C108 PolarHBondContact O-N 3.38Å
104	V	97.8	Very high	97	Very high	15 Å²	15	75.5 Å²	75.5	9%	0.091	37%	0.366	C	S	.	.	I	π-helix	trans	-59.3	-43.3	172.6	-178.2	0	0	0	0	110.5	V53 N55 S71 R101 A102 C108 R109	V53-V104 HydrophobicContact CB-CG1 3.87Å; V53-V104 HydrophobicContact CG1-CG1 3.93Å; V53-V104 WeakPolarHBondContact O-CG1 3.4Å; N55-V104 HydrophobicContact CB-CG2 4.21Å; S71-V104 VanDerWaalsContact CB-CG2 3.48Å; S71-V104 WeakPolarHBondContact OG-CG2 3.44Å; R101-V104 PolarHBondContact O-N 3.03Å; A102-V104 PolarHBondContact O-N 3.24Å; V104-C108 VanDerWaalsContact O-CB 3.31Å; V104-C108 WeakPolarHBondContact O-CB 3.37Å; V104-R109 PolarHBondContact O-N 2.87Å
105	D	97.5	Very high	96.9	Very high	90 Å²	90	69.6 Å²	69.6	48%	0.481	34%	0.344	S	S	.	.	I	π-helix	trans	-85.6	-54.8	178.1	-69.5	-58.1	0	0	0	112.3	A102 E103 Y107 R109 Y110	A102-D105 PolarHBondContact O-N 3.24Å; A102-D105 VanDerWaalsContact O-N 3.17Å; E103-D105 VanDerWaalsContact C-N 3.27Å; E103-D105 PolarHBondContact O-N 2.83Å; D105-Y107 VanDerWaalsContact C-N 3.3Å; D105-Y107 PolarHBondContact O-N 3.26Å; D105-R109 WeakPolarHBondContact OD1-CD 3.31Å; D105-R109 IonicContact OD1-CZ 3.81Å; D105-R109 IonicContact OD1-NE 2.74Å; D105-R109 IonicContact OD1-NH1 2.68Å; D105-R109 PolarHBondContact OD1-NH1 3.27Å; D105-R109 IonicContact OD2-NH1 3.57Å; D105-Y110 PolarHBondContact O-N 3.37Å; D105-Y110 VanDerWaalsContact O-N 3.12Å
106	T	97	Very high	96.9	Very high	93 Å²	93	67 Å²	67	57%	0.571	33%	0.329	S	S	*	.	I	π-helix	trans	-71.4	-26.2	-169.9	58.6	0	0	0	0	113.1	A102 E103 Y110	A102-T106 HydrophobicContact CB-CG2 4.45Å; A102-T106 WeakPolarHBondContact O-CB 3.46Å; A102-T106 WeakPolarHBondContact O-CG2 3.5Å; A102-T106 PolarHBondContact O-N 3.27Å; A102-T106 PolarHBondContact O-OG1 3.24Å; E103-T106 WeakPolarHBondContact CA-OG1 3.4Å; T106-Y110 VanDerWaalsContact O-CB 3.32Å; T106-Y110 WeakPolarHBondContact O-CB 3.46Å
107	Y	96.5	Very high	96.7	Very high	106 Å²	106	69.4 Å²	69.4	42%	0.416	35%	0.347	S	S	.	.	I	π-helix	trans	-110.9	-61.4	178.3	-176.3	-96.7	0	0	0	111.4	C42 E103 D105 N111	C42-Y107 VanDerWaalsContact SG-CE1 3.51Å; E103-Y107 CarbonylContact O-C 3.58Å; E103-Y107 WeakPolarHBondContact O-CA 3.35Å; E103-Y107 VanDerWaalsContact O-CB 3.24Å; E103-Y107 WeakPolarHBondContact O-CB 3.33Å; E103-Y107 PolarHBondContact O-N 2.7Å; D105-Y107 VanDerWaalsContact C-N 3.3Å; D105-Y107 PolarHBondContact O-N 3.26Å; Y107-N111 WeakPolarHBondContact CD2-ND2 3.49Å; Y107-N111 VanDerWaalsContact O-CB 3.25Å; Y107-N111 WeakPolarHBondContact O-CB 3.49Å; Y107-N111 PolarHBondContact O-N 2.73Å; Y107-N111 PolarHBondContact O-ND2 3.32Å
108	C	97.8	Very high	96.4	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.362	C	S	.	.	I	π-helix	trans	-67.8	-56.8	-172.1	-63.1	0	0	0	0	113	C44 F46 V53 E103 V104 Y110 N111 Y112	C44-C108 HydrophobicContact CB-CB 3.6Å; C44-C108 WeakPolarHBondContact CB-SG 3.29Å; C44-C108 WeakPolarHBondContact SG-CA 3.21Å; C44-C108 WeakPolarHBondContact SG-CB 3.04Å; C44-C108 CovalentContact SG-SG 2.03Å; C44-C108 PolarHBondContact SG-SG 2.95Å; F46-C108 HydrophobicContact CE1-CB 4.15Å; F46-C108 HydrophobicContact CZ-CB 4Å; F46-C108 WeakPolarHBondContact CZ-O 3.5Å; V53-C108 HydrophobicContact CG1-CB 3.6Å; E103-C108 PolarHBondContact O-N 3.38Å; V104-C108 VanDerWaalsContact O-CB 3.31Å; V104-C108 WeakPolarHBondContact O-CB 3.37Å; C108-Y110 PolarHBondContact O-N 3.35Å; C108-N111 PolarHBondContact O-N 2.86Å; C108-Y112 WeakPolarHBondContact O-CB 3.47Å; C108-Y112 PolarHBondContact O-N 2.84Å
109	R	97.5	Very high	96.3	Very high	77 Å²	77	68.2 Å²	68.2	29%	0.291	34%	0.342	S	S	.	.	I	π-helix	trans	-65	-40.1	179.7	-70.7	-171.2	178.9	98	3.3	112.5	T50 V53 V104 D105 Y112 G113	T50-R109 HydrophobicContact CG2-CG 4.34Å; T50-R109 PolarHBondContact O-NE 2.88Å; V53-R109 HydrophobicContact CG2-CG 4.04Å; V104-R109 PolarHBondContact O-N 2.87Å; D105-R109 WeakPolarHBondContact OD1-CD 3.31Å; D105-R109 IonicContact OD1-CZ 3.81Å; D105-R109 IonicContact OD1-NE 2.74Å; D105-R109 IonicContact OD1-NH1 2.68Å; D105-R109 PolarHBondContact OD1-NH1 3.27Å; D105-R109 IonicContact OD2-NH1 3.57Å; R109-Y112 WeakPolarHBondContact O-CB 3.37Å; R109-Y112 PolarHBondContact O-N 3.15Å; R109-G113 PolarHBondContact O-N 3.02Å
110	Y	96.7	Very high	96.1	Very high	156 Å²	156	63.1 Å²	63.1	61%	0.612	33%	0.33	S	S	*	.	H	α-helix	trans	-57.9	-53.4	174.7	178.6	-97	0	0	0	111.8	D105 T106 C108 Y112 G113 V114	D105-Y110 PolarHBondContact O-N 3.37Å; D105-Y110 VanDerWaalsContact O-N 3.12Å; T106-Y110 VanDerWaalsContact O-CB 3.32Å; T106-Y110 WeakPolarHBondContact O-CB 3.46Å; C108-Y110 PolarHBondContact O-N 3.35Å; Y110-Y112 VanDerWaalsContact C-N 3.32Å; Y110-Y112 PolarHBondContact O-N 2.97Å; Y110-G113 PolarHBondContact O-N 3.04Å; Y110-V114 HydrophobicContact CE1-CG2 4.12Å; Y110-V114 WeakPolarHBondContact O-CG2 3.38Å; Y110-V114 PolarHBondContact O-N 3.05Å
111	N	96.7	Very high	96	Very high	57 Å²	57	66.3 Å²	66.3	31%	0.305	35%	0.346	S	S	.	.	H	α-helix	trans	-67.3	-33.4	-179.7	-77.8	-78.1	0	0	0	112.2	Y107 C108 G113 V114 V115	Y107-N111 WeakPolarHBondContact CD2-ND2 3.49Å; Y107-N111 VanDerWaalsContact O-CB 3.25Å; Y107-N111 WeakPolarHBondContact O-CB 3.49Å; Y107-N111 PolarHBondContact O-N 2.73Å; Y107-N111 PolarHBondContact O-ND2 3.32Å; C108-N111 PolarHBondContact O-N 2.86Å; N111-G113 VanDerWaalsContact C-N 3.34Å; N111-G113 PolarHBondContact O-N 2.88Å; N111-V114 WeakPolarHBondContact O-CB 3.27Å; N111-V114 PolarHBondContact O-N 2.84Å; N111-V114 VanDerWaalsContact O-N 3.12Å; N111-V115 VanDerWaalsContact O-CG2 3.32Å; N111-V115 WeakPolarHBondContact O-CG2 3.34Å; N111-V115 PolarHBondContact O-N 3.42Å
112	Y	97.5	Very high	96	Very high	26 Å²	26	64.5 Å²	64.5	10%	0.102	34%	0.339	C	S	.	.	H	α-helix	trans	-52.8	-53.1	172.6	-176.2	-84.4	0	0	0	110.7	F46 G49 T50 C108 R109 Y110 V114 V115 E116 V120	F46-Y112 HydrophobicContact CB-CD2 4.39Å; F46-Y112 HydrophobicContact CB-CE2 4.25Å; F46-Y112 AromaticContact CD1-CD2 3.45Å; F46-Y112 HydrophobicContact CD1-CD2 3.45Å; F46-Y112 VanDerWaalsContact CD1-CD2 3.45Å; F46-Y112 HydrophobicContact CD1-CE2 4.07Å; F46-Y112 HydrophobicContact CD1-CG 4.14Å; F46-Y112 HydrophobicContact CD2-CD2 4.04Å; F46-Y112 AromaticContact CE1-CD2 3.6Å; F46-Y112 HydrophobicContact CE1-CD2 3.6Å; F46-Y112 AromaticContact CE1-CG 3.95Å; F46-Y112 HydrophobicContact CE1-CG 3.95Å; F46-Y112 HydrophobicContact CE2-CD2 4.14Å; F46-Y112 AromaticContact CG-CD2 3.7Å; F46-Y112 HydrophobicContact CG-CD2 3.7Å; F46-Y112 HydrophobicContact CG-CE2 4.05Å; F46-Y112 AromaticContact CZ-CD2 3.93Å; F46-Y112 HydrophobicContact CZ-CD2 3.93Å; F46-Y112 HydrophobicContact CZ-CG 4.38Å; G49-Y112 WeakPolarHBondContact CA-OH 3.49Å; T50-Y112 HydrophobicContact CG2-CD1 3.34Å; T50-Y112 HydrophobicContact CG2-CD2 4.23Å; T50-Y112 HydrophobicContact CG2-CE1 3.73Å; T50-Y112 HydrophobicContact CG2-CG 3.62Å; C108-Y112 WeakPolarHBondContact O-CB 3.47Å; C108-Y112 PolarHBondContact O-N 2.84Å; R109-Y112 WeakPolarHBondContact O-CB 3.37Å; R109-Y112 PolarHBondContact O-N 3.15Å; Y110-Y112 VanDerWaalsContact C-N 3.32Å; Y110-Y112 PolarHBondContact O-N 2.97Å; Y112-V114 PolarHBondContact O-N 3.33Å; Y112-V115 PolarHBondContact O-N 2.59Å; Y112-V115 VanDerWaalsContact O-N 3.1Å; Y112-E116 HydrophobicContact CD1-CB 4.3Å; Y112-E116 HydrophobicContact CD1-CG 4.37Å; Y112-E116 HydrophobicContact CE1-CB 4.1Å; Y112-E116 VanDerWaalsContact CE1-CD 3.5Å; Y112-E116 HydrophobicContact CE1-CG 3.67Å; Y112-E116 WeakPolarHBondContact CE1-OE2 3.39Å; Y112-E116 WeakPolarHBondContact O-CA 3.32Å; Y112-E116 VanDerWaalsContact O-CB 3.27Å; Y112-E116 WeakPolarHBondContact O-CB 3.45Å; Y112-E116 PolarHBondContact O-N 2.96Å; Y112-V120 HydrophobicContact CE2-CG2 3.79Å
113	G	96.2	Very high	96.1	Very high	53 Å²	53	68.1 Å²	68.1	55%	0.546	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-30.3	179.2	0	0	0	0	0	113.9	R109 Y110 N111	R109-G113 PolarHBondContact O-N 3.02Å; Y110-G113 PolarHBondContact O-N 3.04Å; N111-G113 VanDerWaalsContact C-N 3.34Å; N111-G113 PolarHBondContact O-N 2.88Å
114	V	96.5	Very high	96.1	Very high	79 Å²	79	69.1 Å²	69.1	48%	0.479	35%	0.352	S	S	.	.	H	α-helix	trans	-71.9	-39.4	175.7	176.3	0	0	0	0	111.6	Y110 N111 Y112	Y110-V114 HydrophobicContact CE1-CG2 4.12Å; Y110-V114 WeakPolarHBondContact O-CG2 3.38Å; Y110-V114 PolarHBondContact O-N 3.05Å; N111-V114 WeakPolarHBondContact O-CB 3.27Å; N111-V114 PolarHBondContact O-N 2.84Å; N111-V114 VanDerWaalsContact O-N 3.12Å; Y112-V114 PolarHBondContact O-N 3.33Å
115	V	95.3	Very high	96.1	Very high	44 Å²	44	74.6 Å²	74.6	27%	0.267	38%	0.376	S	S	.	.	H	α-helix	trans	-103.3	-8.9	-170.5	-50.6	0	0	0	0	115.2	N111 Y112 S117 F118 T119	N111-V115 VanDerWaalsContact O-CG2 3.32Å; N111-V115 WeakPolarHBondContact O-CG2 3.34Å; N111-V115 PolarHBondContact O-N 3.42Å; Y112-V115 PolarHBondContact O-N 2.59Å; Y112-V115 VanDerWaalsContact O-N 3.1Å; V115-S117 VanDerWaalsContact C-N 3.27Å; V115-S117 PolarHBondContact O-N 3.36Å; V115-F118 HydrophobicContact CB-CD1 4.4Å; V115-F118 HydrophobicContact CB-CE1 3.61Å; V115-F118 HydrophobicContact CB-CE2 4.05Å; V115-F118 HydrophobicContact CB-CZ 3.39Å; V115-F118 HydrophobicContact CG1-CE1 3.74Å; V115-F118 HydrophobicContact CG1-CE2 4.37Å; V115-F118 HydrophobicContact CG1-CZ 3.4Å; V115-F118 PolarHBondContact O-N 3.47Å; V115-T119 HydrophobicContact CB-CG2 4.3Å; V115-T119 HydrophobicContact CG2-CG2 4.33Å; V115-T119 WeakPolarHBondContact O-CB 3.45Å; V115-T119 WeakPolarHBondContact O-CG2 3.41Å; V115-T119 PolarHBondContact O-N 3.29Å; V115-T119 PolarHBondContact O-OG1 3.26Å
116	E	95.6	Very high	96.1	Very high	57 Å²	57	70.8 Å²	70.8	27%	0.266	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-54.7	-42.2	-174.5	-167.3	-170	161.5	0	0	112.4	Y112 F118 T119 V120 Q121	Y112-E116 HydrophobicContact CD1-CB 4.3Å; Y112-E116 HydrophobicContact CD1-CG 4.37Å; Y112-E116 HydrophobicContact CE1-CB 4.1Å; Y112-E116 VanDerWaalsContact CE1-CD 3.5Å; Y112-E116 HydrophobicContact CE1-CG 3.67Å; Y112-E116 WeakPolarHBondContact CE1-OE2 3.39Å; Y112-E116 WeakPolarHBondContact O-CA 3.32Å; Y112-E116 VanDerWaalsContact O-CB 3.27Å; Y112-E116 WeakPolarHBondContact O-CB 3.45Å; Y112-E116 PolarHBondContact O-N 2.96Å; E116-F118 VanDerWaalsContact C-N 3.35Å; E116-F118 PolarHBondContact O-N 2.93Å; E116-T119 CarbonylContact O-C 3.44Å; E116-T119 PolarHBondContact O-N 3.35Å; E116-V120 HydrophobicContact CG-CB 3.73Å; E116-V120 HydrophobicContact CG-CG1 4.33Å; E116-V120 HydrophobicContact CG-CG2 4.09Å; E116-V120 PolarHBondContact O-N 3.05Å; E116-Q121 VanDerWaalsContact CD-NE2 3.27Å; E116-Q121 HydrophobicContact CG-CG 4.17Å; E116-Q121 PolarHBondContact O-N 2.93Å; E116-Q121 PolarHBondContact OE1-NE2 2.98Å
117	S	93.8	Very high	96.2	Very high	75 Å²	75	73.8 Å²	73.8	52%	0.524	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-60	-39.8	-177.1	59.8	0	0	0	0	113.4	V115	V115-S117 VanDerWaalsContact C-N 3.27Å; V115-S117 PolarHBondContact O-N 3.36Å
118	F	91.8	Very high	96.3	Very high	93 Å²	93	69.7 Å²	69.7	41%	0.408	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-100.9	0.6	-179.2	69.6	-97.5	0	0	0	113.8	V115 E116 R122 W182	V115-F118 HydrophobicContact CB-CD1 4.4Å; V115-F118 HydrophobicContact CB-CE1 3.61Å; V115-F118 HydrophobicContact CB-CE2 4.05Å; V115-F118 HydrophobicContact CB-CZ 3.39Å; V115-F118 HydrophobicContact CG1-CE1 3.74Å; V115-F118 HydrophobicContact CG1-CE2 4.37Å; V115-F118 HydrophobicContact CG1-CZ 3.4Å; V115-F118 PolarHBondContact O-N 3.47Å; E116-F118 VanDerWaalsContact C-N 3.35Å; E116-F118 PolarHBondContact O-N 2.93Å; F118-R122 WeakPolarHBondContact O-CB 3.47Å; F118-R122 WeakPolarHBondContact O-CD 3.38Å; F118-W182 HydrophobicContact CD2-CZ3 4.45Å; F118-W182 HydrophobicContact CE2-CH2 4.32Å; F118-W182 HydrophobicContact CE2-CZ3 4.28Å
119	T	93.7	Very high	96.3	Very high	25 Å²	25	72.5 Å²	72.5	15%	0.153	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-82.4	175.3	59.6	0	0	0	0	110.8	V115 E116 Q121 R122 Y152 W182	V115-T119 HydrophobicContact CB-CG2 4.3Å; V115-T119 HydrophobicContact CG2-CG2 4.33Å; V115-T119 WeakPolarHBondContact O-CB 3.45Å; V115-T119 WeakPolarHBondContact O-CG2 3.41Å; V115-T119 PolarHBondContact O-N 3.29Å; V115-T119 PolarHBondContact O-OG1 3.26Å; E116-T119 CarbonylContact O-C 3.44Å; E116-T119 PolarHBondContact O-N 3.35Å; T119-Q121 PolarHBondContact O-N 3.34Å; T119-R122 PolarHBondContact O-N 3.03Å; T119-Y152 WeakPolarHBondContact O-CE1 3.41Å; T119-Y152 PolarHBondContact O-OH 3.26Å; T119-W182 HydrophobicContact CG2-CZ3 3.87Å
120	V	94.3	Very high	96.3	Very high	63 Å²	63	69.9 Å²	69.9	38%	0.382	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-42.1	-174.1	-178.9	0	0	0	0	112.8	Y112 E116 R123	Y112-V120 HydrophobicContact CE2-CG2 3.79Å; E116-V120 HydrophobicContact CG-CB 3.73Å; E116-V120 HydrophobicContact CG-CG1 4.33Å; E116-V120 HydrophobicContact CG-CG2 4.09Å; E116-V120 PolarHBondContact O-N 3.05Å; V120-R123 PolarHBondContact O-NH1 3.32Å; V120-R123 PolarHBondContact O-NH2 3.21Å
121	Q	94.5	Very high	96.1	Very high	109 Å²	109	67.1 Å²	67.1	51%	0.509	35%	0.346	S	S	.	.	S	Bend	trans	-88.9	-14.7	-177.7	-64.3	174	7.3	0	0	112.9	E116 T119 R123	E116-Q121 VanDerWaalsContact CD-NE2 3.27Å; E116-Q121 HydrophobicContact CG-CG 4.17Å; E116-Q121 PolarHBondContact O-N 2.93Å; E116-Q121 PolarHBondContact OE1-NE2 2.98Å; T119-Q121 PolarHBondContact O-N 3.34Å; Q121-R123 PolarHBondContact O-N 2.92Å
122	R	96	Very high	96	Very high	72 Å²	72	66 Å²	66	27%	0.272	34%	0.342	S	S	.	.			trans	-62	132.3	-177.9	179.1	176.7	175.6	-170.4	-2.3	110.5	F118 T119 V124 Y152	F118-R122 WeakPolarHBondContact O-CB 3.47Å; F118-R122 WeakPolarHBondContact O-CD 3.38Å; T119-R122 PolarHBondContact O-N 3.03Å; R122-V124 HydrophobicContact CG-CG2 4.23Å; R122-Y152 HydrophobicContact CB-CD1 3.95Å; R122-Y152 HydrophobicContact CB-CE1 3.83Å; R122-Y152 HydrophobicContact CG-CD1 3.78Å; R122-Y152 HydrophobicContact CG-CE1 4.12Å; R122-Y152 VanDerWaalsContact O-CD1 3.29Å; R122-Y152 WeakPolarHBondContact O-CD1 3.01Å
123	R	97.1	Very high	95.7	Very high	119 Å²	119	68.1 Å²	68.1	45%	0.449	36%	0.361	S	S	.	.			trans	-134.4	124.7	176.6	-64.6	-62.6	176.9	-88.8	-4.6	108.5	V120 Q121 Y152	V120-R123 PolarHBondContact O-NH1 3.32Å; V120-R123 PolarHBondContact O-NH2 3.21Å; Q121-R123 PolarHBondContact O-N 2.92Å; R123-Y152 CarbonylContact C-O 3.47Å; R123-Y152 WeakPolarHBondContact CA-O 3.31Å
124	V	97.8	Very high	95.3	Very high	43 Å²	43	70.5 Å²	70.5	26%	0.261	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-123.9	130.5	176.5	-170.9	0	0	0	0	108.4	R122 G150 Y152 H206 S208	R122-V124 HydrophobicContact CG-CG2 4.23Å; V124-G150 WeakPolarHBondContact CG1-O 3.4Å; V124-Y152 PolarHBondContact N-O 2.97Å; V124-Y152 PolarHBondContact O-N 3.05Å; V124-H206 PolarHBondContact O-CE1 3.08Å; V124-H206 VanDerWaalsContact O-CE1 3.24Å; V124-S208 PolarHBondContact O-OG 3.26Å
125	Q	98	Very high	94.4	Very high	130 Å²	130	72.9 Å²	72.9	61%	0.607	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-78.5	135.3	-178.1	-69.4	-178.7	8.7	0	0	111.5	S208 M209	Q125-S208 VanDerWaalsContact CA-OG 3.27Å; Q125-S208 WeakPolarHBondContact CA-OG 3.33Å; Q125-S208 WeakPolarHBondContact CG-OG 3.27Å; Q125-S208 PolarHBondContact NE2-O 3.31Å; Q125-M209 HydrophobicContact CG-CG 3.96Å
126	P	98.4	Very high	93.2	Very high	10 Å²	10	75.6 Å²	75.6	7%	0.065	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-66.8	142.2	175.9	23.8	-30.1	0	0	0	111.7	V128 V148 F151 V204 H206 M209	P126-V128 HydrophobicContact CB-CG2 4.22Å; P126-V128 HydrophobicContact CG-CG2 4.48Å; P126-V148 HydrophobicContact CB-CG1 3.5Å; P126-V148 VanDerWaalsContact CB-CG1 3.5Å; P126-V148 HydrophobicContact CG-CG1 4.35Å; P126-F151 HydrophobicContact CB-CB 3.81Å; P126-F151 HydrophobicContact CB-CD1 4.14Å; P126-F151 HydrophobicContact CB-CG 4.3Å; P126-F151 HydrophobicContact CG-CB 4.36Å; P126-V204 HydrophobicContact CG-CG1 4.03Å; P126-H206 HydrophobicContact CG-CB 4.49Å; P126-M209 HydrophobicContact CG-CE 3.7Å; P126-M209 HydrophobicContact CG-SD 4.27Å
127	K	98.2	Very high	92	Very high	155 Å²	155	76.4 Å²	76.4	67%	0.674	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.6	160.1	-173.1	178.9	-177.3	179.1	0	108.6	N149	K127-N149 PolarHBondContact N-O 3.22Å; K127-N149 PolarHBondContact O-N 2.96Å
128	V	98.5	Very high	90.8	Very high	20 Å²	20	75.7 Å²	75.7	12%	0.121	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.8	-177.7	-175	0	0	0	0	110.3	P126 S147 V148 V204 L213 V215	P126-V128 HydrophobicContact CB-CG2 4.22Å; P126-V128 HydrophobicContact CG-CG2 4.48Å; V128-S147 CarbonylContact C-O 3.58Å; V128-S147 VanDerWaalsContact CA-O 3.29Å; V128-S147 WeakPolarHBondContact CA-O 3.29Å; V128-V148 HydrophobicContact CG1-CG2 4.42Å; V128-V148 HydrophobicContact CG2-CG1 4.2Å; V128-V148 HydrophobicContact CG2-CG2 4.31Å; V128-V204 HydrophobicContact CG1-CG2 4.17Å; V128-V204 HydrophobicContact CG2-CB 4.25Å; V128-V204 HydrophobicContact CG2-CG1 4.46Å; V128-V204 HydrophobicContact CG2-CG2 3.78Å; V128-L213 HydrophobicContact CB-CD2 4.09Å; V128-L213 HydrophobicContact CG2-CD2 3.56Å; V128-L213 HydrophobicContact CG2-CG 4.38Å; V128-V215 HydrophobicContact CB-CG2 3.85Å; V128-V215 HydrophobicContact CG1-CB 4.15Å; V128-V215 HydrophobicContact CG1-CG2 3.63Å
129	T	97.8	Very high	90	Very high	60 Å²	60	78.8 Å²	78.8	37%	0.368	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.4	171.4	61.5	0	0	0	0	110.3	C146 S147	T129-C146 WeakPolarHBondContact O-CA 3.45Å; T129-S147 PolarHBondContact N-O 3.43Å; T129-S147 PolarHBondContact O-N 3.2Å
130	V	97.3	Very high	89.5	Confident	22 Å²	22	82.5 Å²	82.5	13%	0.133	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.7	177	-178.5	0	0	0	0	109.8	V145 C146 W160 C202 V215 W217	V130-V145 WeakPolarHBondContact CA-O 3.03Å; V130-C146 HydrophobicContact CG2-CB 4.32Å; V130-W160 HydrophobicContact CG1-CH2 3.54Å; V130-W160 HydrophobicContact CG1-CZ3 4.17Å; V130-W160 HydrophobicContact CG2-CH2 4.42Å; V130-C202 HydrophobicContact CG2-CB 3.67Å; V130-V215 HydrophobicContact CB-CG1 4.07Å; V130-V215 HydrophobicContact CG2-CB 3.86Å; V130-V215 HydrophobicContact CG2-CG1 3.66Å; V130-W217 HydrophobicContact CB-CB 4.13Å; V130-W217 HydrophobicContact CG1-CB 3.43Å; V130-W217 VanDerWaalsContact CG1-CB 3.43Å; V130-W217 HydrophobicContact CG1-CG 3.95Å
131	Y	93.8	Very high	89.2	Confident	97 Å²	97	86.7 Å²	86.7	38%	0.38	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	153.4	-178.7	58.2	-87.5	0	0	0	111.5	V145	Y131-V145 HydrophobicContact CD2-CB 4.23Å; Y131-V145 HydrophobicContact CE1-CB 4.24Å; Y131-V145 HydrophobicContact CE1-CG1 4.17Å; Y131-V145 HydrophobicContact CE2-CB 3.81Å; Y131-V145 HydrophobicContact CE2-CG1 4.16Å; Y131-V145 HydrophobicContact CE2-CG2 4.07Å; Y131-V145 PolarHBondContact N-O 3.49Å; Y131-V145 PolarHBondContact O-N 2.96Å
132	P	93.5	Very high	89	Confident	34 Å²	34	82.4 Å²	82.4	22%	0.221	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	142.7	171.8	33.8	-33	0	0	0	110	K134 L144 W217	P132-K134 VanDerWaalsContact C-N 3.28Å; P132-K134 PolarHBondContact O-N 3.43Å; P132-L144 HydrophobicContact CB-CD2 4.03Å; P132-W217 HydrophobicContact CB-CZ2 4.2Å; P132-W217 HydrophobicContact CG-CZ2 4.16Å
133	S	92	Very high	88.8	Confident	71 Å²	71	81.1 Å²	81.1	50%	0.497	41%	0.406	S	S	.	.	S	Bend	trans	-63.9	-35.2	174.8	175.1	0	0	0	0	111.9	L143	S133-L143 WeakPolarHBondContact CB-O 3.15Å; S133-L143 PolarHBondContact N-O 2.69Å
134	K	86.9	Confident	88.8	Confident	102 Å²	102	75.5 Å²	75.5	44%	0.443	39%	0.385	S	S	.	.			trans	-119	137.7	176.9	-57.9	176.1	-174	171.2	0	110.2	P132 Q136 N142	P132-K134 VanDerWaalsContact C-N 3.28Å; P132-K134 PolarHBondContact O-N 3.43Å; K134-Q136 HydrophobicContact CB-CB 4.45Å; K134-Q136 HydrophobicContact CB-CG 4.18Å; K134-Q136 PolarHBondContact O-N 3.28Å; K134-N142 PolarHBondContact N-OD1 3.1Å; K134-N142 VanDerWaalsContact N-OD1 3.08Å; K134-N142 PolarHBondContact O-ND2 2.81Å
135	T	77.7	Confident	88.8	Confident	129 Å²	129	73.9 Å²	73.9	79%	0.791	38%	0.375	S	S	*	.			trans	-86.1	23.8	174.2	58.2	0	0	0	0	113
136	Q	70.8	Confident	88.8	Confident	101 Å²	101	67.7 Å²	67.7	47%	0.472	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-70.6	160.6	-176.4	-74.4	175.3	-7	0	0	112.2	K134	K134-Q136 HydrophobicContact CB-CB 4.45Å; K134-Q136 HydrophobicContact CB-CG 4.18Å; K134-Q136 PolarHBondContact O-N 3.28Å
137	P	69.8	Low	88.8	Confident	74 Å²	74	68 Å²	68	48%	0.481	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-52.8	148.5	175.7	-24.1	32.7	0	0	0	112.1	H140	P137-H140 PolarHBondContact O-ND1 3.19Å; P137-H140 VanDerWaalsContact O-ND1 3.09Å
138	L	68.7	Low	88.8	Confident	60 Å²	60	60.6 Å²	60.6	31%	0.314	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	158.7	173.9	-60.4	174.6	0	0	0	111.3	P194 A219	L138-P194 HydrophobicContact CD2-CB 4.27Å; L138-A219 HydrophobicContact CD1-CB 3.84Å; L138-A219 HydrophobicContact CD2-CB 3.29Å; L138-A219 HydrophobicContact CG-CB 4.21Å
139	Q	74.7	Confident	88.8	Confident	159 Å²	159	62.6 Å²	62.6	74%	0.743	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	9.6	-175.5	-48.7	178.9	-16.9	0	0	116.7	V193 P194	Q139-V193 VanDerWaalsContact C-CG1 3.48Å; Q139-P194 PolarHBondContact N-O 3.46Å
140	H	83	Confident	88.8	Confident	103 Å²	103	60.8 Å²	60.8	48%	0.477	32%	0.32	S	S	.	.	S	Bend	trans	-103.7	153.2	167.4	-64.3	82.4	0	0	0	111.3	P137 N142	P137-H140 PolarHBondContact O-ND1 3.19Å; P137-H140 VanDerWaalsContact O-ND1 3.09Å; H140-N142 PolarHBondContact O-N 3.22Å
141	H	88.3	Confident	88.8	Confident	150 Å²	150	59.7 Å²	59.7	69%	0.694	31%	0.313	S	S	*	.			trans	-56.6	123.5	170.7	-76.7	-73.1	0	0	0	110.3	V193	H141-V193 WeakPolarHBondContact ND1-CG2 3.32Å
142	N	90.1	Very high	89	Confident	20 Å²	20	57 Å²	57	11%	0.107	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	158.2	-179.8	-150.7	-18.3	0	0	0	110	K134 H140 T192 P194	K134-N142 PolarHBondContact N-OD1 3.1Å; K134-N142 VanDerWaalsContact N-OD1 3.08Å; K134-N142 PolarHBondContact O-ND2 2.81Å; H140-N142 PolarHBondContact O-N 3.22Å; N142-T192 PolarHBondContact N-O 2.91Å; N142-T192 PolarHBondContact O-N 2.88Å; N142-T192 VanDerWaalsContact O-N 3.07Å; N142-P194 HydrophobicContact CB-CG 4.26Å
143	L	93.5	Very high	89.2	Confident	45 Å²	45	56.7 Å²	56.7	24%	0.236	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.2	176.4	-168.7	71.9	0	0	0	107.5	S133 V145 M189 E191	S133-L143 WeakPolarHBondContact CB-O 3.15Å; S133-L143 PolarHBondContact N-O 2.69Å; L143-V145 HydrophobicContact CD2-CG2 4.48Å; L143-V145 HydrophobicContact CG-CG2 4.49Å; L143-M189 HydrophobicContact CD1-CB 3.72Å; L143-M189 HydrophobicContact CD2-CB 3.93Å; L143-M189 HydrophobicContact CD2-CG 4Å; L143-M189 HydrophobicContact CD2-SD 3.64Å; L143-M189 HydrophobicContact CG-CB 3.78Å; L143-M189 HydrophobicContact CG-CG 4.29Å; L143-E191 HydrophobicContact CD1-CB 4.49Å; L143-E191 HydrophobicContact CD1-CG 3.61Å
144	L	95.5	Very high	89.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.2	171.4	-64	-178.6	0	0	0	108.4	P132 W160 M189 L190 T192 Y200 W217	P132-L144 HydrophobicContact CB-CD2 4.03Å; L144-W160 HydrophobicContact CB-CH2 3.78Å; L144-W160 HydrophobicContact CB-CZ2 4.06Å; L144-M189 CarbonylContact O-C 3.58Å; L144-M189 VanDerWaalsContact O-CA 3.22Å; L144-M189 WeakPolarHBondContact O-CA 3.42Å; L144-L190 HydrophobicContact CB-CB 4.38Å; L144-L190 PolarHBondContact N-O 3.48Å; L144-L190 PolarHBondContact O-N 3.24Å; L144-T192 HydrophobicContact CD1-CG2 3.88Å; L144-T192 HydrophobicContact CG-CG2 4.01Å; L144-Y200 HydrophobicContact CD1-CD1 3.68Å; L144-Y200 HydrophobicContact CD1-CD2 3.67Å; L144-Y200 HydrophobicContact CD1-CE1 4.15Å; L144-Y200 HydrophobicContact CD1-CE2 4.17Å; L144-Y200 HydrophobicContact CD1-CG 3.4Å; L144-W217 HydrophobicContact CD1-CD2 4.44Å; L144-W217 HydrophobicContact CD1-CE3 3.63Å; L144-W217 HydrophobicContact CD1-CZ3 3.75Å; L144-W217 HydrophobicContact CD2-CD2 3.86Å; L144-W217 HydrophobicContact CD2-CE3 3.66Å; L144-W217 HydrophobicContact CD2-CH2 3.68Å; L144-W217 HydrophobicContact CD2-CZ2 3.87Å; L144-W217 HydrophobicContact CD2-CZ3 3.57Å; L144-W217 HydrophobicContact CG-CE3 4.32Å; L144-W217 HydrophobicContact CG-CZ3 4.3Å
145	V	97.6	Very high	89.9	Confident	9 Å²	9	52.9 Å²	52.9	6%	0.055	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.1	-176.4	-173.7	0	0	0	0	108.5	V130 Y131 L143 L187 M189	V130-V145 WeakPolarHBondContact CA-O 3.03Å; Y131-V145 HydrophobicContact CD2-CB 4.23Å; Y131-V145 HydrophobicContact CE1-CB 4.24Å; Y131-V145 HydrophobicContact CE1-CG1 4.17Å; Y131-V145 HydrophobicContact CE2-CB 3.81Å; Y131-V145 HydrophobicContact CE2-CG1 4.16Å; Y131-V145 HydrophobicContact CE2-CG2 4.07Å; Y131-V145 PolarHBondContact N-O 3.49Å; Y131-V145 PolarHBondContact O-N 2.96Å; L143-V145 HydrophobicContact CD2-CG2 4.48Å; L143-V145 HydrophobicContact CG-CG2 4.49Å; V145-L187 HydrophobicContact CG1-CB 4.48Å; V145-L187 HydrophobicContact CG1-CD2 4.11Å; V145-M189 HydrophobicContact CG1-CG 4.27Å; V145-M189 HydrophobicContact CG2-CG 4.24Å
146	C	98.3	Very high	90.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	107.1	163.6	-174	0	0	0	0	108.2	T129 V130 W160 L187 V188 C202	T129-C146 WeakPolarHBondContact O-CA 3.45Å; V130-C146 HydrophobicContact CG2-CB 4.32Å; C146-W160 HydrophobicContact CB-CH2 4.28Å; C146-W160 HydrophobicContact CB-CZ2 3.59Å; C146-L187 WeakPolarHBondContact O-CA 3.45Å; C146-V188 WeakPolarHBondContact CB-O 3.42Å; C146-V188 PolarHBondContact N-O 2.75Å; C146-V188 PolarHBondContact O-N 2.77Å; C146-C202 HydrophobicContact CB-CB 3.65Å; C146-C202 WeakPolarHBondContact CB-SG 3.48Å; C146-C202 WeakPolarHBondContact SG-CB 3.34Å; C146-C202 CovalentContact SG-SG 2.02Å; C146-C202 PolarHBondContact SG-SG 2.71Å
147	S	98.4	Very high	92.2	Very high	17 Å²	17	48.4 Å²	48.4	12%	0.119	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.5	176	-178.8	0	0	0	0	109.4	V128 T129 L187	V128-S147 CarbonylContact C-O 3.58Å; V128-S147 VanDerWaalsContact CA-O 3.29Å; V128-S147 WeakPolarHBondContact CA-O 3.29Å; T129-S147 PolarHBondContact N-O 3.43Å; T129-S147 PolarHBondContact O-N 3.2Å; S147-L187 WeakPolarHBondContact OG-CD2 3.44Å
148	V	98.6	Very high	93.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	111.3	179.8	-172.4	0	0	0	0	107.2	P126 V128 F151 I156 V158 Q185 T186 V204	P126-V148 HydrophobicContact CB-CG1 3.5Å; P126-V148 VanDerWaalsContact CB-CG1 3.5Å; P126-V148 HydrophobicContact CG-CG1 4.35Å; V128-V148 HydrophobicContact CG1-CG2 4.42Å; V128-V148 HydrophobicContact CG2-CG1 4.2Å; V128-V148 HydrophobicContact CG2-CG2 4.31Å; V148-F151 HydrophobicContact CB-CE1 4.34Å; V148-F151 HydrophobicContact CG1-CD1 3.82Å; V148-F151 HydrophobicContact CG1-CE1 3.84Å; V148-I156 HydrophobicContact CG1-CD1 3.54Å; V148-V158 HydrophobicContact CG2-CG1 4.34Å; V148-V158 HydrophobicContact CG2-CG2 4.1Å; V148-Q185 CarbonylContact O-C 3.53Å; V148-Q185 VanDerWaalsContact O-CA 3.23Å; V148-Q185 WeakPolarHBondContact O-CA 3.42Å; V148-T186 HydrophobicContact CB-CG2 3.99Å; V148-T186 HydrophobicContact CG2-CG2 4.48Å; V148-T186 PolarHBondContact N-O 2.87Å; V148-T186 PolarHBondContact O-N 3.27Å; V148-V204 HydrophobicContact CG1-CG1 4.12Å; V148-V204 HydrophobicContact CG2-CG2 3.84Å
149	N	98.1	Very high	94.9	Very high	62 Å²	62	46 Å²	46	33%	0.332	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.1	-167.9	-167.1	8.1	0	0	0	112.7	K127 N179 Q185	K127-N149 PolarHBondContact N-O 3.22Å; K127-N149 PolarHBondContact O-N 2.96Å; N149-N179 PolarHBondContact OD1-ND2 2.84Å; N149-Q185 HydrophobicContact CB-CB 4.26Å; N149-Q185 WeakPolarHBondContact OD1-CB 3.5Å
150	G	98	Very high	96.1	Very high	21 Å²	21	38.5 Å²	38.5	22%	0.216	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.7	26.8	168.5	0	0	0	0	0	114.4	V124 F184	V124-G150 WeakPolarHBondContact CG1-O 3.4Å; G150-F184 PolarHBondContact N-O 3.3Å
151	F	98.3	Very high	96.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	157.8	-176.8	62.2	-88.9	0	0	0	113.2	P126 V148 P153 I156 L176 T183 F184 T186 H206	P126-F151 HydrophobicContact CB-CB 3.81Å; P126-F151 HydrophobicContact CB-CD1 4.14Å; P126-F151 HydrophobicContact CB-CG 4.3Å; P126-F151 HydrophobicContact CG-CB 4.36Å; V148-F151 HydrophobicContact CB-CE1 4.34Å; V148-F151 HydrophobicContact CG1-CD1 3.82Å; V148-F151 HydrophobicContact CG1-CE1 3.84Å; F151-P153 WeakPolarHBondContact CD2-O 3.36Å; F151-I156 HydrophobicContact CD1-CD1 3.93Å; F151-I156 HydrophobicContact CD2-CB 4.36Å; F151-I156 HydrophobicContact CD2-CD1 3.81Å; F151-I156 HydrophobicContact CE1-CD1 3.84Å; F151-I156 HydrophobicContact CE2-CB 3.82Å; F151-I156 HydrophobicContact CE2-CD1 3.74Å; F151-I156 HydrophobicContact CE2-CG1 4.41Å; F151-I156 HydrophobicContact CE2-CG2 3.69Å; F151-I156 HydrophobicContact CG-CD1 3.91Å; F151-I156 HydrophobicContact CZ-CB 4.25Å; F151-I156 HydrophobicContact CZ-CD1 3.76Å; F151-I156 HydrophobicContact CZ-CG2 3.72Å; F151-L176 HydrophobicContact CE2-CD1 3.86Å; F151-L176 HydrophobicContact CZ-CD1 3.76Å; F151-T183 WeakPolarHBondContact O-CA 3.42Å; F151-F184 VanDerWaalsContact CD1-O 3.23Å; F151-F184 WeakPolarHBondContact CD1-O 3.49Å; F151-F184 HydrophobicContact CD2-CB 4.23Å; F151-F184 HydrophobicContact CE1-CB 4.35Å; F151-F184 WeakPolarHBondContact CE1-O 3.32Å; F151-F184 HydrophobicContact CE2-CB 3.78Å; F151-F184 HydrophobicContact CZ-CB 3.83Å; F151-F184 PolarHBondContact N-O 3.5Å; F151-F184 VanDerWaalsContact N-O 3.15Å; F151-F184 PolarHBondContact O-N 2.78Å; F151-T186 HydrophobicContact CE1-CG2 4.2Å; F151-T186 HydrophobicContact CZ-CG2 4.15Å; F151-H206 AromaticContact CD2-CD2 3.9Å; F151-H206 AromaticContact CD2-NE2 3.73Å
152	Y	98.2	Very high	97.1	Very high	40 Å²	40	31.6 Å²	31.6	16%	0.157	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-156.8	136.5	174.4	-176.9	-85	0	0	0	109.9	T119 R122 R123 V124 W182 F184 H206	T119-Y152 WeakPolarHBondContact O-CE1 3.41Å; T119-Y152 PolarHBondContact O-OH 3.26Å; R122-Y152 HydrophobicContact CB-CD1 3.95Å; R122-Y152 HydrophobicContact CB-CE1 3.83Å; R122-Y152 HydrophobicContact CG-CD1 3.78Å; R122-Y152 HydrophobicContact CG-CE1 4.12Å; R122-Y152 VanDerWaalsContact O-CD1 3.29Å; R122-Y152 WeakPolarHBondContact O-CD1 3.01Å; R123-Y152 CarbonylContact C-O 3.47Å; R123-Y152 WeakPolarHBondContact CA-O 3.31Å; V124-Y152 PolarHBondContact N-O 2.97Å; V124-Y152 PolarHBondContact O-N 3.05Å; Y152-W182 WeakPolarHBondContact CD2-O 3.4Å; Y152-F184 HydrophobicContact CD2-CD2 4.21Å; Y152-F184 AromaticContact CD2-CE2 3.71Å; Y152-F184 HydrophobicContact CD2-CE2 3.71Å; Y152-F184 HydrophobicContact CE2-CE2 4.07Å; Y152-H206 PolarHBondContact O-CE1 3.17Å; Y152-H206 VanDerWaalsContact O-CE1 3.24Å
153	P	97.5	Very high	97.4	Very high	27 Å²	27	35.1 Å²	35.1	18%	0.175	19%	0.19	C	C	.	.	S	Bend	cis	-71.7	180	3.7	32.1	-38.7	0	0	0	113.7	F151 S155 H206	F151-P153 WeakPolarHBondContact CD2-O 3.36Å; P153-S155 VanDerWaalsContact C-N 3.27Å; P153-S155 PolarHBondContact O-N 3.04Å; P153-H206 PolarHBondContact O-NE2 3.02Å
154	G	96.6	Very high	97.4	Very high	20 Å²	20	35.7 Å²	35.7	21%	0.206	21%	0.206	C	C	.	.	S	Bend	trans	-73.7	-13.5	-178.1	0	0	0	0	0	115.2	I156 L176	G154-I156 PolarHBondContact O-N 2.92Å; G154-L176 WeakPolarHBondContact O-CD1 3.24Å
155	S	96.3	Very high	97.5	Very high	73 Å²	73	42.8 Å²	42.8	51%	0.51	24%	0.239	S	C	.	.			trans	-71.4	111.8	177.4	57.4	0	0	0	0	110.4	P153 H206 P207	P153-S155 VanDerWaalsContact C-N 3.27Å; P153-S155 PolarHBondContact O-N 3.04Å; S155-H206 PolarHBondContact O-CD2 3.22Å; S155-H206 VanDerWaalsContact O-CD2 3.27Å; S155-P207 WeakPolarHBondContact O-CD 3.21Å
156	I	98.1	Very high	97.5	Very high	44 Å²	44	46.2 Å²	46.2	23%	0.226	25%	0.254	C	S	.	.			trans	-146.5	148.8	-177	-165	163	0	0	0	109.8	V148 F151 G154 V158 T186 V204 E205 H206	V148-I156 HydrophobicContact CG1-CD1 3.54Å; F151-I156 HydrophobicContact CD1-CD1 3.93Å; F151-I156 HydrophobicContact CD2-CB 4.36Å; F151-I156 HydrophobicContact CD2-CD1 3.81Å; F151-I156 HydrophobicContact CE1-CD1 3.84Å; F151-I156 HydrophobicContact CE2-CB 3.82Å; F151-I156 HydrophobicContact CE2-CD1 3.74Å; F151-I156 HydrophobicContact CE2-CG1 4.41Å; F151-I156 HydrophobicContact CE2-CG2 3.69Å; F151-I156 HydrophobicContact CG-CD1 3.91Å; F151-I156 HydrophobicContact CZ-CB 4.25Å; F151-I156 HydrophobicContact CZ-CD1 3.76Å; F151-I156 HydrophobicContact CZ-CG2 3.72Å; G154-I156 PolarHBondContact O-N 2.92Å; I156-V158 HydrophobicContact CD1-CG2 4.37Å; I156-V158 HydrophobicContact CG1-CG2 4.13Å; I156-T186 HydrophobicContact CG2-CG2 4.37Å; I156-V204 HydrophobicContact CD1-CG1 3.73Å; I156-V204 HydrophobicContact CG1-CG1 4.02Å; I156-E205 WeakPolarHBondContact CG1-O 3.43Å; I156-H206 HydrophobicContact CD1-CB 4.36Å; I156-H206 HydrophobicContact CG1-CB 4.17Å
157	E	98	Very high	97.5	Very high	93 Å²	93	48.6 Å²	48.6	44%	0.435	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.3	172.1	-177	178.3	176.4	0	0	109.4	R159 V204 E205	E157-R159 HydrophobicContact CG-CG 4.4Å; E157-R159 WeakPolarHBondContact OE1-CD 3.47Å; E157-R159 IonicContact OE1-CZ 2.68Å; E157-R159 VanDerWaalsContact OE1-CZ 3.27Å; E157-R159 IonicContact OE1-NE 3.27Å; E157-R159 PolarHBondContact OE1-NE 3.11Å; E157-R159 IonicContact OE1-NH2 3.58Å; E157-R159 PolarHBondContact OE1-NH2 2.81Å; E157-R159 IonicContact OE2-NH2 3.71Å; E157-V204 WeakPolarHBondContact O-CA 3.49Å; E157-E205 HydrophobicContact CB-CB 4.24Å; E157-E205 PolarHBondContact N-O 3.47Å; E157-E205 PolarHBondContact O-N 2.88Å
158	V	98.5	Very high	97.4	Very high	27 Å²	27	54.7 Å²	54.7	16%	0.164	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.6	-176.5	-177.1	0	0	0	0	108.4	V148 I156 T186 V188 C202 Q203 V204	V148-V158 HydrophobicContact CG2-CG1 4.34Å; V148-V158 HydrophobicContact CG2-CG2 4.1Å; I156-V158 HydrophobicContact CD1-CG2 4.37Å; I156-V158 HydrophobicContact CG1-CG2 4.13Å; V158-T186 HydrophobicContact CG2-CG2 4.26Å; V158-V188 HydrophobicContact CB-CB 4.41Å; V158-V188 HydrophobicContact CB-CG2 3.72Å; V158-V188 HydrophobicContact CG1-CB 3.76Å; V158-V188 HydrophobicContact CG1-CG1 4.23Å; V158-V188 HydrophobicContact CG1-CG2 3.57Å; V158-V188 HydrophobicContact CG2-CG2 4.27Å; V158-C202 VanDerWaalsContact CG1-SG 3.6Å; V158-Q203 CarbonylContact C-O 3.58Å; V158-Q203 WeakPolarHBondContact CA-O 3.21Å; V158-V204 HydrophobicContact CG1-CG2 4.21Å; V158-V204 HydrophobicContact CG2-CG1 4.45Å; V158-V204 HydrophobicContact CG2-CG2 4.25Å
159	R	98.4	Very high	97.3	Very high	56 Å²	56	58 Å²	58	21%	0.211	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.1	-176.1	-73.1	-176.6	-103.2	152.6	-2.5	111	E157 F161 E166 Q203 E205	E157-R159 HydrophobicContact CG-CG 4.4Å; E157-R159 WeakPolarHBondContact OE1-CD 3.47Å; E157-R159 IonicContact OE1-CZ 2.68Å; E157-R159 VanDerWaalsContact OE1-CZ 3.27Å; E157-R159 IonicContact OE1-NE 3.27Å; E157-R159 PolarHBondContact OE1-NE 3.11Å; E157-R159 IonicContact OE1-NH2 3.58Å; E157-R159 PolarHBondContact OE1-NH2 2.81Å; E157-R159 IonicContact OE2-NH2 3.71Å; R159-F161 HydrophobicContact CB-CD2 4.43Å; R159-F161 HydrophobicContact CB-CE2 3.74Å; R159-E166 VanDerWaalsContact CD-OE1 3.26Å; R159-E166 WeakPolarHBondContact CD-OE1 3.25Å; R159-Q203 PolarHBondContact N-O 2.67Å; R159-Q203 PolarHBondContact O-N 2.84Å; R159-E205 IonicContact CZ-OE1 2.67Å; R159-E205 IonicContact NH2-OE1 2.71Å; R159-E205 PolarHBondContact NH2-OE1 3.44Å; R159-E205 IonicContact NH2-OE2 2.94Å; R159-E205 PolarHBondContact NH2-OE2 2.96Å
160	W	98.4	Very high	97.2	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142.4	171.6	-84.5	106.6	0	0	0	110.4	V130 L144 C146 E167 V171 V188 L190 T201 C202	V130-W160 HydrophobicContact CG1-CH2 3.54Å; V130-W160 HydrophobicContact CG1-CZ3 4.17Å; V130-W160 HydrophobicContact CG2-CH2 4.42Å; L144-W160 HydrophobicContact CB-CH2 3.78Å; L144-W160 HydrophobicContact CB-CZ2 4.06Å; C146-W160 HydrophobicContact CB-CH2 4.28Å; C146-W160 HydrophobicContact CB-CZ2 3.59Å; W160-E167 HydrophobicContact CB-CB 4.49Å; W160-E167 PolarHBondContact O-N 2.83Å; W160-V171 HydrophobicContact CB-CG2 4.24Å; W160-V171 HydrophobicContact CG-CG2 4.47Å; W160-V188 PolarHBondContact NE1-O 2.82Å; W160-L190 HydrophobicContact CB-CD2 4.38Å; W160-L190 HydrophobicContact CD2-CB 4.02Å; W160-L190 HydrophobicContact CD2-CD2 4.15Å; W160-L190 HydrophobicContact CE3-CD2 4.19Å; W160-L190 HydrophobicContact CG-CB 4.07Å; W160-L190 HydrophobicContact CG-CD2 4.27Å; W160-L190 HydrophobicContact CZ2-CB 4.34Å; W160-T201 CarbonylContact C-O 3.54Å; W160-T201 WeakPolarHBondContact CA-O 3.46Å; W160-C202 HydrophobicContact CE3-CB 4.37Å; W160-C202 HydrophobicContact CH2-CB 4.38Å; W160-C202 HydrophobicContact CZ3-CB 4.24Å
161	F	98.2	Very high	97.2	Very high	33 Å²	33	58 Å²	58	15%	0.145	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.1	172.1	-67.6	-105.5	0	0	0	109.7	R159 Q165 E166 Y200 T201 Q203	R159-F161 HydrophobicContact CB-CD2 4.43Å; R159-F161 HydrophobicContact CB-CE2 3.74Å; F161-Q165 CarbonylContact C-O 3.45Å; F161-Q165 WeakPolarHBondContact CA-O 3.38Å; F161-E166 HydrophobicContact CD1-CB 4.1Å; F161-E166 HydrophobicContact CE1-CB 3.79Å; F161-E166 HydrophobicContact CE1-CG 4.35Å; F161-E166 HydrophobicContact CZ-CB 4.19Å; F161-E166 HydrophobicContact CZ-CG 4.26Å; F161-Y200 CarbonylContact O-C 3.56Å; F161-Y200 VanDerWaalsContact O-CA 3.29Å; F161-Y200 WeakPolarHBondContact O-CA 3.42Å; F161-T201 PolarHBondContact N-O 2.94Å; F161-T201 PolarHBondContact O-N 2.85Å; F161-Q203 HydrophobicContact CD2-CB 4.12Å; F161-Q203 HydrophobicContact CE2-CB 3.81Å; F161-Q203 HydrophobicContact CE2-CG 4.48Å
162	R	95.7	Very high	97.2	Very high	74 Å²	74	61.3 Å²	61.3	28%	0.279	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.9	172.8	-177	-177.9	-177.9	178.7	2.5	108.5	G164 Q165 E167 E198 Y200	R162-G164 PolarHBondContact O-N 3.12Å; R162-G164 VanDerWaalsContact O-N 3.16Å; R162-Q165 PolarHBondContact N-O 3.37Å; R162-Q165 PolarHBondContact O-N 3.49Å; R162-E167 HydrophobicContact CB-CB 4.34Å; R162-E198 IonicContact CZ-OE1 3.57Å; R162-E198 IonicContact NE-OE1 3.05Å; R162-E198 PolarHBondContact NE-OE1 3.2Å; R162-E198 IonicContact NH2-OE1 2.65Å; R162-E198 PolarHBondContact NH2-OE1 2.79Å; R162-E198 IonicContact NH2-OE2 3.43Å; R162-Y200 HydrophobicContact CB-CD1 4.36Å; R162-Y200 HydrophobicContact CB-CE1 4.29Å; R162-Y200 HydrophobicContact CG-CD1 4.31Å; R162-Y200 HydrophobicContact CG-CE1 3.88Å
163	N	94.8	Very high	97.1	Very high	95 Å²	95	62.5 Å²	62.5	51%	0.508	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	38.3	-177.3	-57.2	-30.6	0	0	0	113.1	Q165 V199	N163-Q165 VanDerWaalsContact C-N 3.32Å; N163-Q165 PolarHBondContact O-N 2.7Å; N163-V199 PolarHBondContact N-O 2.7Å; N163-V199 PolarHBondContact OD1-N 2.65Å
164	G	94.5	Very high	97.1	Very high	56 Å²	56	64.2 Å²	64.2	58%	0.577	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-4.3	179.6	0	0	0	0	0	115.8	R162	R162-G164 PolarHBondContact O-N 3.12Å; R162-G164 VanDerWaalsContact O-N 3.16Å
165	Q	97.4	Very high	97.1	Very high	149 Å²	149	65 Å²	65	70%	0.696	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.5	172.9	-66	-65.1	-35	0	0	110.2	F161 R162 N163 E167	F161-Q165 CarbonylContact C-O 3.45Å; F161-Q165 WeakPolarHBondContact CA-O 3.38Å; R162-Q165 PolarHBondContact N-O 3.37Å; R162-Q165 PolarHBondContact O-N 3.49Å; N163-Q165 VanDerWaalsContact C-N 3.32Å; N163-Q165 PolarHBondContact O-N 2.7Å; Q165-E167 PolarHBondContact O-N 3.12Å
166	E	98	Very high	97.2	Very high	81 Å²	81	65.7 Å²	65.7	38%	0.379	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	128.6	178	-169.6	-177.1	-179.5	0	0	110	R159 F161 K168	R159-E166 VanDerWaalsContact CD-OE1 3.26Å; R159-E166 WeakPolarHBondContact CD-OE1 3.25Å; F161-E166 HydrophobicContact CD1-CB 4.1Å; F161-E166 HydrophobicContact CE1-CB 3.79Å; F161-E166 HydrophobicContact CE1-CG 4.35Å; F161-E166 HydrophobicContact CZ-CB 4.19Å; F161-E166 HydrophobicContact CZ-CG 4.26Å; E166-K168 HydrophobicContact CG-CG 4.43Å; E166-K168 WeakPolarHBondContact OE1-CE 3.29Å; E166-K168 IonicContact OE1-NZ 3.35Å; E166-K168 WeakPolarHBondContact OE2-CE 3.41Å; E166-K168 IonicContact OE2-NZ 3.64Å
167	E	96.9	Very high	97.2	Very high	50 Å²	50	66.6 Å²	66.6	23%	0.234	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121	179	-175.1	62.7	-89	0	0	109	W160 R162 Q165 A169 V171 L190	W160-E167 HydrophobicContact CB-CB 4.49Å; W160-E167 PolarHBondContact O-N 2.83Å; R162-E167 HydrophobicContact CB-CB 4.34Å; Q165-E167 PolarHBondContact O-N 3.12Å; E167-A169 PolarHBondContact OE1-N 3.42Å; E167-V171 WeakPolarHBondContact O-CG2 3.29Å; E167-L190 HydrophobicContact CG-CD1 3.69Å; E167-L190 HydrophobicContact CG-CD2 4.4Å
168	K	97.3	Very high	97.2	Very high	146 Å²	146	69.7 Å²	69.7	64%	0.635	39%	0.39	S	S	*	.			trans	-114.6	-23.9	179.1	-66.2	-176.7	-177.5	178.3	0	112.1	E166 V171	E166-K168 HydrophobicContact CG-CG 4.43Å; E166-K168 WeakPolarHBondContact OE1-CE 3.29Å; E166-K168 IonicContact OE1-NZ 3.35Å; E166-K168 WeakPolarHBondContact OE2-CE 3.41Å; E166-K168 IonicContact OE2-NZ 3.64Å; K168-V171 PolarHBondContact O-N 3.3Å
169	A	96.5	Very high	97.1	Very high	70 Å²	70	71.1 Å²	71.1	58%	0.579	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	135.2	-179.8	0	0	0	0	0	110	E167 V171 L190	E167-A169 PolarHBondContact OE1-N 3.42Å; A169-V171 PolarHBondContact O-N 3.4Å; A169-L190 WeakPolarHBondContact O-CD1 3.38Å
170	G	95.2	Very high	96.9	Very high	32 Å²	32	71.8 Å²	71.8	33%	0.33	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	10.4	-178.8	0	0	0	0	0	114.6	E191	G170-E191 PolarHBondContact O-N 2.88Å
171	V	98.1	Very high	96.8	Very high	50 Å²	50	76 Å²	76	30%	0.303	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.9	175.2	179.6	0	0	0	0	110.2	W160 E167 K168 A169 V188 M189 L190	W160-V171 HydrophobicContact CB-CG2 4.24Å; W160-V171 HydrophobicContact CG-CG2 4.47Å; E167-V171 WeakPolarHBondContact O-CG2 3.29Å; K168-V171 PolarHBondContact O-N 3.3Å; A169-V171 PolarHBondContact O-N 3.4Å; V171-V188 HydrophobicContact CG1-CG1 3.61Å; V171-M189 CarbonylContact C-O 3.57Å; V171-M189 VanDerWaalsContact CA-O 3.27Å; V171-M189 WeakPolarHBondContact CA-O 3.16Å; V171-L190 HydrophobicContact CG2-CD1 3.78Å
172	V	97.8	Very high	96.5	Very high	69 Å²	69	81.6 Å²	81.6	42%	0.418	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.6	178.4	-178.7	0	0	0	0	109.5	M189	V172-M189 HydrophobicContact CB-CE 4.35Å; V172-M189 HydrophobicContact CG1-CE 4.11Å; V172-M189 PolarHBondContact N-O 2.86Å; V172-M189 PolarHBondContact O-N 2.86Å
173	S	97.8	Very high	96.6	Very high	65 Å²	65	78.4 Å²	78.4	46%	0.455	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.8	176.5	177	0	0	0	0	111.2	G175 T186 L187	S173-G175 PolarHBondContact O-N 3.42Å; S173-G175 PolarHBondContact OG-N 2.93Å; S173-T186 PolarHBondContact OG-OG1 3.46Å; S173-L187 WeakPolarHBondContact CA-O 3.37Å
174	T	97.3	Very high	96.8	Very high	64 Å²	64	75.5 Å²	75.5	39%	0.393	44%	0.436	S	S	.	.			trans	-73.1	-7.8	169.5	56.4	0	0	0	0	113.4	L187 M189	T174-L187 HydrophobicContact CG2-CB 3.82Å; T174-L187 HydrophobicContact CG2-CD1 4.29Å; T174-L187 HydrophobicContact CG2-CG 4.38Å; T174-L187 PolarHBondContact N-O 2.84Å; T174-L187 PolarHBondContact OG1-N 2.8Å; T174-M189 HydrophobicContact CG2-CE 4.2Å
175	G	96.7	Very high	97	Very high	35 Å²	35	75.3 Å²	75.3	36%	0.361	42%	0.42	S	S	.	.			trans	70.1	-163.9	-163.4	0	0	0	0	0	111.7	S173 T186	S173-G175 PolarHBondContact O-N 3.42Å; S173-G175 PolarHBondContact OG-N 2.93Å; G175-T186 VanDerWaalsContact O-CB 3.31Å; G175-T186 WeakPolarHBondContact O-CB 3.5Å; G175-T186 PolarHBondContact O-OG1 2.87Å
176	L	97.7	Very high	97.1	Very high	88 Å²	88	68.5 Å²	68.5	46%	0.461	39%	0.389	S	S	.	.			trans	-88.4	123.4	-175.3	-165.3	72.1	0	0	0	111	F151 G154 F184	F151-L176 HydrophobicContact CE2-CD1 3.86Å; F151-L176 HydrophobicContact CZ-CD1 3.76Å; G154-L176 WeakPolarHBondContact O-CD1 3.24Å; L176-F184 HydrophobicContact CD1-CB 3.49Å; L176-F184 VanDerWaalsContact CD1-CB 3.49Å; L176-F184 HydrophobicContact CD1-CD1 3.91Å; L176-F184 HydrophobicContact CD1-CG 3.77Å; L176-F184 HydrophobicContact CD2-CD1 3.46Å; L176-F184 VanDerWaalsContact CD2-CD1 3.46Å; L176-F184 HydrophobicContact CD2-CE1 3.58Å; L176-F184 HydrophobicContact CD2-CG 3.99Å; L176-F184 HydrophobicContact CD2-CZ 4.23Å; L176-F184 HydrophobicContact CG-CB 4.03Å; L176-F184 HydrophobicContact CG-CD1 3.48Å; L176-F184 VanDerWaalsContact CG-CD1 3.48Å; L176-F184 HydrophobicContact CG-CE1 4.11Å; L176-F184 HydrophobicContact CG-CG 3.9Å
177	I	98.1	Very high	97.1	Very high	63 Å²	63	66.8 Å²	66.8	32%	0.323	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.1	179.2	-57	168	0	0	0	108.8	F184 Q185	I177-F184 CarbonylContact O-C 3.48Å; I177-F184 VanDerWaalsContact O-CA 3.25Å; I177-F184 WeakPolarHBondContact O-CA 3.28Å; I177-Q185 HydrophobicContact CB-CG 3.67Å; I177-Q185 HydrophobicContact CD1-CG 4.39Å; I177-Q185 HydrophobicContact CG2-CG 3.95Å; I177-Q185 PolarHBondContact N-O 2.03Å; I177-Q185 PolarHBondContact O-N 3.17Å
178	Q	97.7	Very high	97.2	Very high	159 Å²	159	64.7 Å²	64.7	74%	0.743	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.5	177.1	-64.2	-179.6	32.8	0	0	111	F184	Q178-F184 HydrophobicContact CG-CD1 3.96Å; Q178-F184 HydrophobicContact CG-CE1 3.75Å
179	N	96.4	Very high	97.2	Very high	57 Å²	57	59.5 Å²	59.5	31%	0.305	35%	0.351	S	S	.	.			trans	-82.9	-16.6	179.5	-74	-25.3	0	0	0	113.8	N149 D181 T183 Q185	N149-N179 PolarHBondContact OD1-ND2 2.84Å; N179-D181 VanDerWaalsContact CB-OD1 3.31Å; N179-D181 WeakPolarHBondContact CB-OD1 3.26Å; N179-T183 PolarHBondContact N-O 3.42Å; N179-T183 PolarHBondContact ND2-OG1 2.94Å; N179-Q185 WeakPolarHBondContact OD1-CG 3.46Å; N179-Q185 PolarHBondContact OD1-NE2 3.35Å
180	G	95	Very high	97.2	Very high	70 Å²	70	56.2 Å²	56.2	72%	0.722	32%	0.324	S	S	*	.	S	Bend	trans	92.2	-12.3	-175.6	0	0	0	0	0	114.7
181	D	95.3	Very high	97.3	Very high	90 Å²	90	60.6 Å²	60.6	48%	0.481	34%	0.336	S	S	.	.	S	Bend	trans	-99.6	18	173.7	69.6	-11.5	0	0	0	113	N179 T183	N179-D181 VanDerWaalsContact CB-OD1 3.31Å; N179-D181 WeakPolarHBondContact CB-OD1 3.26Å; D181-T183 PolarHBondContact O-N 3.39Å; D181-T183 WeakPolarHBondContact OD1-CB 3.34Å; D181-T183 PolarHBondContact OD1-N 3.26Å; D181-T183 PolarHBondContact OD1-OG1 2.88Å; D181-T183 PolarHBondContact OD2-OG1 3Å
182	W	93.4	Very high	97	Very high	150 Å²	150	59 Å²	59	57%	0.568	33%	0.326	S	S	*	.	S	Bend	trans	71	4.5	-174.8	-56.9	32.3	0	0	0	114.4	F118 T119 Y152	F118-W182 HydrophobicContact CD2-CZ3 4.45Å; F118-W182 HydrophobicContact CE2-CH2 4.32Å; F118-W182 HydrophobicContact CE2-CZ3 4.28Å; T119-W182 HydrophobicContact CG2-CZ3 3.87Å; Y152-W182 WeakPolarHBondContact CD2-O 3.4Å
183	T	97.7	Very high	96.7	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.043	32%	0.318	C	S	.	.			trans	-93	164	168.6	72.3	0	0	0	0	111.3	F151 N179 D181	F151-T183 WeakPolarHBondContact O-CA 3.42Å; N179-T183 PolarHBondContact N-O 3.42Å; N179-T183 PolarHBondContact ND2-OG1 2.94Å; D181-T183 PolarHBondContact O-N 3.39Å; D181-T183 WeakPolarHBondContact OD1-CB 3.34Å; D181-T183 PolarHBondContact OD1-N 3.26Å; D181-T183 PolarHBondContact OD1-OG1 2.88Å; D181-T183 PolarHBondContact OD2-OG1 3Å
184	F	98.5	Very high	96.3	Very high	35 Å²	35	54.8 Å²	54.8	15%	0.154	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	160.5	178.3	-56.6	-83.1	0	0	0	111.6	G150 F151 Y152 L176 I177 Q178	G150-F184 PolarHBondContact N-O 3.3Å; F151-F184 VanDerWaalsContact CD1-O 3.23Å; F151-F184 WeakPolarHBondContact CD1-O 3.49Å; F151-F184 HydrophobicContact CD2-CB 4.23Å; F151-F184 HydrophobicContact CE1-CB 4.35Å; F151-F184 WeakPolarHBondContact CE1-O 3.32Å; F151-F184 HydrophobicContact CE2-CB 3.78Å; F151-F184 HydrophobicContact CZ-CB 3.83Å; F151-F184 PolarHBondContact N-O 3.5Å; F151-F184 VanDerWaalsContact N-O 3.15Å; F151-F184 PolarHBondContact O-N 2.78Å; Y152-F184 HydrophobicContact CD2-CD2 4.21Å; Y152-F184 AromaticContact CD2-CE2 3.71Å; Y152-F184 HydrophobicContact CD2-CE2 3.71Å; Y152-F184 HydrophobicContact CE2-CE2 4.07Å; L176-F184 HydrophobicContact CD1-CB 3.49Å; L176-F184 VanDerWaalsContact CD1-CB 3.49Å; L176-F184 HydrophobicContact CD1-CD1 3.91Å; L176-F184 HydrophobicContact CD1-CG 3.77Å; L176-F184 HydrophobicContact CD2-CD1 3.46Å; L176-F184 VanDerWaalsContact CD2-CD1 3.46Å; L176-F184 HydrophobicContact CD2-CE1 3.58Å; L176-F184 HydrophobicContact CD2-CG 3.99Å; L176-F184 HydrophobicContact CD2-CZ 4.23Å; L176-F184 HydrophobicContact CG-CB 4.03Å; L176-F184 HydrophobicContact CG-CD1 3.48Å; L176-F184 VanDerWaalsContact CG-CD1 3.48Å; L176-F184 HydrophobicContact CG-CE1 4.11Å; L176-F184 HydrophobicContact CG-CG 3.9Å; I177-F184 CarbonylContact O-C 3.48Å; I177-F184 VanDerWaalsContact O-CA 3.25Å; I177-F184 WeakPolarHBondContact O-CA 3.28Å; Q178-F184 HydrophobicContact CG-CD1 3.96Å; Q178-F184 HydrophobicContact CG-CE1 3.75Å
185	Q	98.5	Very high	95.9	Very high	51 Å²	51	59.2 Å²	59.2	24%	0.238	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	156.9	168.4	68.4	-179.7	-28.4	0	0	110.6	V148 N149 I177 N179	V148-Q185 CarbonylContact O-C 3.53Å; V148-Q185 VanDerWaalsContact O-CA 3.23Å; V148-Q185 WeakPolarHBondContact O-CA 3.42Å; N149-Q185 HydrophobicContact CB-CB 4.26Å; N149-Q185 WeakPolarHBondContact OD1-CB 3.5Å; I177-Q185 HydrophobicContact CB-CG 3.67Å; I177-Q185 HydrophobicContact CD1-CG 4.39Å; I177-Q185 HydrophobicContact CG2-CG 3.95Å; I177-Q185 PolarHBondContact N-O 2.03Å; I177-Q185 PolarHBondContact O-N 3.17Å; N179-Q185 WeakPolarHBondContact OD1-CG 3.46Å; N179-Q185 PolarHBondContact OD1-NE2 3.35Å
186	T	98.6	Very high	95.3	Very high	6 Å²	6	62 Å²	62	4%	0.037	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	146.2	171.4	-169.6	0	0	0	0	109.7	V148 F151 I156 V158 S173 G175	V148-T186 HydrophobicContact CB-CG2 3.99Å; V148-T186 HydrophobicContact CG2-CG2 4.48Å; V148-T186 PolarHBondContact N-O 2.87Å; V148-T186 PolarHBondContact O-N 3.27Å; F151-T186 HydrophobicContact CE1-CG2 4.2Å; F151-T186 HydrophobicContact CZ-CG2 4.15Å; I156-T186 HydrophobicContact CG2-CG2 4.37Å; V158-T186 HydrophobicContact CG2-CG2 4.26Å; S173-T186 PolarHBondContact OG-OG1 3.46Å; G175-T186 VanDerWaalsContact O-CB 3.31Å; G175-T186 WeakPolarHBondContact O-CB 3.5Å; G175-T186 PolarHBondContact O-OG1 2.87Å
187	L	98.4	Very high	94.8	Very high	45 Å²	45	61.2 Å²	61.2	24%	0.236	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.6	172.1	-59.9	177.5	0	0	0	108	V145 C146 S147 S173 T174	V145-L187 HydrophobicContact CG1-CB 4.48Å; V145-L187 HydrophobicContact CG1-CD2 4.11Å; C146-L187 WeakPolarHBondContact O-CA 3.45Å; S147-L187 WeakPolarHBondContact OG-CD2 3.44Å; S173-L187 WeakPolarHBondContact CA-O 3.37Å; T174-L187 HydrophobicContact CG2-CB 3.82Å; T174-L187 HydrophobicContact CG2-CD1 4.29Å; T174-L187 HydrophobicContact CG2-CG 4.38Å; T174-L187 PolarHBondContact N-O 2.84Å; T174-L187 PolarHBondContact OG1-N 2.8Å
188	V	98.5	Very high	94.5	Very high	6 Å²	6	59.1 Å²	59.1	4%	0.036	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.2	173.7	-173.8	0	0	0	0	108.8	C146 V158 W160 V171	C146-V188 WeakPolarHBondContact CB-O 3.42Å; C146-V188 PolarHBondContact N-O 2.75Å; C146-V188 PolarHBondContact O-N 2.77Å; V158-V188 HydrophobicContact CB-CB 4.41Å; V158-V188 HydrophobicContact CB-CG2 3.72Å; V158-V188 HydrophobicContact CG1-CB 3.76Å; V158-V188 HydrophobicContact CG1-CG1 4.23Å; V158-V188 HydrophobicContact CG1-CG2 3.57Å; V158-V188 HydrophobicContact CG2-CG2 4.27Å; W160-V188 PolarHBondContact NE1-O 2.82Å; V171-V188 HydrophobicContact CG1-CG1 3.61Å
189	M	97.9	Very high	94.4	Very high	37 Å²	37	53.9 Å²	53.9	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.3	-168.3	-59.6	169.2	-71.8	0	0	109.5	L143 L144 V145 V171 V172 T174	L143-M189 HydrophobicContact CD1-CB 3.72Å; L143-M189 HydrophobicContact CD2-CB 3.93Å; L143-M189 HydrophobicContact CD2-CG 4Å; L143-M189 HydrophobicContact CD2-SD 3.64Å; L143-M189 HydrophobicContact CG-CB 3.78Å; L143-M189 HydrophobicContact CG-CG 4.29Å; L144-M189 CarbonylContact O-C 3.58Å; L144-M189 VanDerWaalsContact O-CA 3.22Å; L144-M189 WeakPolarHBondContact O-CA 3.42Å; V145-M189 HydrophobicContact CG1-CG 4.27Å; V145-M189 HydrophobicContact CG2-CG 4.24Å; V171-M189 CarbonylContact C-O 3.57Å; V171-M189 VanDerWaalsContact CA-O 3.27Å; V171-M189 WeakPolarHBondContact CA-O 3.16Å; V172-M189 HydrophobicContact CB-CE 4.35Å; V172-M189 HydrophobicContact CG1-CE 4.11Å; V172-M189 PolarHBondContact N-O 2.86Å; V172-M189 PolarHBondContact O-N 2.86Å; T174-M189 HydrophobicContact CG2-CE 4.2Å
190	L	97.6	Very high	94.3	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.2	177.2	171.9	65.1	0	0	0	109.8	L144 W160 E167 A169 V171 T192 Y200	L144-L190 HydrophobicContact CB-CB 4.38Å; L144-L190 PolarHBondContact N-O 3.48Å; L144-L190 PolarHBondContact O-N 3.24Å; W160-L190 HydrophobicContact CB-CD2 4.38Å; W160-L190 HydrophobicContact CD2-CB 4.02Å; W160-L190 HydrophobicContact CD2-CD2 4.15Å; W160-L190 HydrophobicContact CE3-CD2 4.19Å; W160-L190 HydrophobicContact CG-CB 4.07Å; W160-L190 HydrophobicContact CG-CD2 4.27Å; W160-L190 HydrophobicContact CZ2-CB 4.34Å; E167-L190 HydrophobicContact CG-CD1 3.69Å; E167-L190 HydrophobicContact CG-CD2 4.4Å; A169-L190 WeakPolarHBondContact O-CD1 3.38Å; V171-L190 HydrophobicContact CG2-CD1 3.78Å; L190-T192 HydrophobicContact CD2-CG2 4.44Å; L190-T192 HydrophobicContact CG-CG2 4.33Å; L190-T192 PolarHBondContact O-N 2.79Å; L190-Y200 HydrophobicContact CD2-CD1 3.54Å; L190-Y200 HydrophobicContact CD2-CE1 3.81Å
191	E	95.7	Very high	94.5	Very high	124 Å²	124	48.6 Å²	48.6	58%	0.579	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	115.3	171.5	-67.4	-178.6	-175.5	0	0	110.2	L143 G170	L143-E191 HydrophobicContact CD1-CB 4.49Å; L143-E191 HydrophobicContact CD1-CG 3.61Å; G170-E191 PolarHBondContact O-N 2.88Å
192	T	93.2	Very high	94.6	Very high	15 Å²	15	44.3 Å²	44.3	9%	0.092	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	172.2	-179.1	-173.8	0	0	0	0	111.9	N142 L144 L190 P194 Y200	N142-T192 PolarHBondContact N-O 2.91Å; N142-T192 PolarHBondContact O-N 2.88Å; N142-T192 VanDerWaalsContact O-N 3.07Å; L144-T192 HydrophobicContact CD1-CG2 3.88Å; L144-T192 HydrophobicContact CG-CG2 4.01Å; L190-T192 HydrophobicContact CD2-CG2 4.44Å; L190-T192 HydrophobicContact CG-CG2 4.33Å; L190-T192 PolarHBondContact O-N 2.79Å; T192-P194 HydrophobicContact CG2-CG 4.07Å; T192-Y200 HydrophobicContact CG2-CE1 3.9Å; T192-Y200 PolarHBondContact OG1-OH 3.21Å
193	V	91.9	Very high	94.9	Very high	43 Å²	43	38.8 Å²	38.8	26%	0.261	22%	0.215	S	C	.	.			trans	-115.4	91.3	168.8	-178.2	0	0	0	0	107.2	Q139 H141 R195	Q139-V193 VanDerWaalsContact C-CG1 3.48Å; H141-V193 WeakPolarHBondContact ND1-CG2 3.32Å; V193-R195 PolarHBondContact O-N 3.03Å
194	P	88.8	Confident	94.9	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.019	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-60.3	125.8	-174.2	-23.8	33.4	0	0	0	112.3	L138 Q139 N142 T192 Y200 W217	L138-P194 HydrophobicContact CD2-CB 4.27Å; Q139-P194 PolarHBondContact N-O 3.46Å; N142-P194 HydrophobicContact CB-CG 4.26Å; T192-P194 HydrophobicContact CG2-CG 4.07Å; P194-Y200 HydrophobicContact CB-CE2 4.43Å; P194-W217 HydrophobicContact CB-CH2 3.78Å; P194-W217 HydrophobicContact CB-CZ3 3.86Å; P194-W217 HydrophobicContact CG-CH2 3.95Å; P194-W217 HydrophobicContact CG-CZ3 4.12Å
195	R	88.2	Confident	94.9	Very high	158 Å²	158	39.7 Å²	39.7	60%	0.596	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-103.3	153.8	173.4	-58	-179.8	176.7	-173.8	-1.2	110.9	V193 G197 E198	V193-R195 PolarHBondContact O-N 3.03Å; R195-G197 PolarHBondContact O-N 3.23Å; R195-E198 HydrophobicContact CB-CG 4.01Å; R195-E198 PolarHBondContact N-OE2 3.24Å; R195-E198 PolarHBondContact O-N 2.81Å
196	S	85.2	Confident	94.9	Very high	93 Å²	93	37.8 Å²	37.8	65%	0.65	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	135.7	173.2	-168	0	0	0	0	110	E198	S196-E198 VanDerWaalsContact C-N 3.33Å
197	G	87.4	Confident	94.9	Very high	71 Å²	71	41 Å²	41	73%	0.732	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-11.1	-176.9	0	0	0	0	0	114.8	R195	R195-G197 PolarHBondContact O-N 3.23Å
198	E	91.1	Very high	94.8	Very high	19 Å²	19	39.8 Å²	39.8	9%	0.089	23%	0.227	C	C	.	.			trans	-80.1	140.4	173.2	-64.4	-176.9	149.4	0	0	111.7	R162 R195 S196 Y200	R162-E198 IonicContact CZ-OE1 3.57Å; R162-E198 IonicContact NE-OE1 3.05Å; R162-E198 PolarHBondContact NE-OE1 3.2Å; R162-E198 IonicContact NH2-OE1 2.65Å; R162-E198 PolarHBondContact NH2-OE1 2.79Å; R162-E198 IonicContact NH2-OE2 3.43Å; R195-E198 HydrophobicContact CB-CG 4.01Å; R195-E198 PolarHBondContact N-OE2 3.24Å; R195-E198 PolarHBondContact O-N 2.81Å; S196-E198 VanDerWaalsContact C-N 3.33Å; E198-Y200 HydrophobicContact CB-CD2 4.45Å; E198-Y200 HydrophobicContact CB-CE2 3.75Å; E198-Y200 PolarHBondContact OE2-OH 2.8Å
199	V	94.4	Very high	94.7	Very high	49 Å²	49	41.2 Å²	41.2	30%	0.297	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123	175.4	-177	0	0	0	0	108.9	N163 Q216	N163-V199 PolarHBondContact N-O 2.7Å; N163-V199 PolarHBondContact OD1-N 2.65Å; V199-Q216 HydrophobicContact CG1-CB 4.26Å; V199-Q216 HydrophobicContact CG1-CG 4.3Å
200	Y	96	Very high	94.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133.5	175	-63.7	-92.6	0	0	0	108.6	L144 F161 R162 L190 T192 P194 E198 Q216 W217	L144-Y200 HydrophobicContact CD1-CD1 3.68Å; L144-Y200 HydrophobicContact CD1-CD2 3.67Å; L144-Y200 HydrophobicContact CD1-CE1 4.15Å; L144-Y200 HydrophobicContact CD1-CE2 4.17Å; L144-Y200 HydrophobicContact CD1-CG 3.4Å; F161-Y200 CarbonylContact O-C 3.56Å; F161-Y200 VanDerWaalsContact O-CA 3.29Å; F161-Y200 WeakPolarHBondContact O-CA 3.42Å; R162-Y200 HydrophobicContact CB-CD1 4.36Å; R162-Y200 HydrophobicContact CB-CE1 4.29Å; R162-Y200 HydrophobicContact CG-CD1 4.31Å; R162-Y200 HydrophobicContact CG-CE1 3.88Å; L190-Y200 HydrophobicContact CD2-CD1 3.54Å; L190-Y200 HydrophobicContact CD2-CE1 3.81Å; T192-Y200 HydrophobicContact CG2-CE1 3.9Å; T192-Y200 PolarHBondContact OG1-OH 3.21Å; P194-Y200 HydrophobicContact CB-CE2 4.43Å; E198-Y200 HydrophobicContact CB-CD2 4.45Å; E198-Y200 HydrophobicContact CB-CE2 3.75Å; E198-Y200 PolarHBondContact OE2-OH 2.8Å; Y200-Q216 CarbonylContact O-C 3.57Å; Y200-Q216 WeakPolarHBondContact O-CA 3.46Å; Y200-W217 AromaticContact CD2-CE3 3.75Å; Y200-W217 HydrophobicContact CD2-CE3 3.75Å; Y200-W217 AromaticContact CD2-CZ3 3.81Å; Y200-W217 HydrophobicContact CD2-CZ3 3.81Å; Y200-W217 HydrophobicContact CE2-CZ3 4.17Å; Y200-W217 HydrophobicContact CG-CE3 4.36Å; Y200-W217 PolarHBondContact N-O 2.92Å; Y200-W217 PolarHBondContact O-N 3.47Å
201	T	97.9	Very high	94.7	Very high	17 Å²	17	52.7 Å²	52.7	10%	0.104	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.6	-179.7	-50.8	0	0	0	0	109.3	W160 F161 T214 V215 Q216	W160-T201 CarbonylContact C-O 3.54Å; W160-T201 WeakPolarHBondContact CA-O 3.46Å; F161-T201 PolarHBondContact N-O 2.94Å; F161-T201 PolarHBondContact O-N 2.85Å; T201-T214 HydrophobicContact CG2-CG2 4.14Å; T201-V215 WeakPolarHBondContact CA-O 3.21Å; T201-Q216 HydrophobicContact CG2-CG 4.09Å
202	C	98.3	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.4	165.3	-177.5	0	0	0	0	108.5	V130 C146 V158 W160 T214 V215	V130-C202 HydrophobicContact CG2-CB 3.67Å; C146-C202 HydrophobicContact CB-CB 3.65Å; C146-C202 WeakPolarHBondContact CB-SG 3.48Å; C146-C202 WeakPolarHBondContact SG-CB 3.34Å; C146-C202 CovalentContact SG-SG 2.02Å; C146-C202 PolarHBondContact SG-SG 2.71Å; V158-C202 VanDerWaalsContact CG1-SG 3.6Å; W160-C202 HydrophobicContact CE3-CB 4.37Å; W160-C202 HydrophobicContact CH2-CB 4.38Å; W160-C202 HydrophobicContact CZ3-CB 4.24Å; C202-T214 CarbonylContact O-C 3.55Å; C202-T214 WeakPolarHBondContact O-CA 3.38Å; C202-V215 PolarHBondContact N-O 3.04Å; C202-V215 PolarHBondContact O-N 3.34Å
203	Q	98.6	Very high	95	Very high	33 Å²	33	51.6 Å²	51.6	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.8	175.5	-177.9	174.6	-7.9	0	0	109.2	V158 R159 F161 E205 P212 L213 T214	V158-Q203 CarbonylContact C-O 3.58Å; V158-Q203 WeakPolarHBondContact CA-O 3.21Å; R159-Q203 PolarHBondContact N-O 2.67Å; R159-Q203 PolarHBondContact O-N 2.84Å; F161-Q203 HydrophobicContact CD2-CB 4.12Å; F161-Q203 HydrophobicContact CE2-CB 3.81Å; F161-Q203 HydrophobicContact CE2-CG 4.48Å; Q203-E205 PolarHBondContact NE2-OE1 2.76Å; Q203-P212 HydrophobicContact CG-CB 3.76Å; Q203-P212 VanDerWaalsContact NE2-CB 3.34Å; Q203-L213 CarbonylContact C-O 3.5Å; Q203-L213 WeakPolarHBondContact CA-O 3.48Å; Q203-T214 HydrophobicContact CB-CG2 4.13Å; Q203-T214 HydrophobicContact CG-CG2 4Å
204	V	98.6	Very high	95.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.8	-177.9	179.4	0	0	0	0	109.4	P126 V128 V148 I156 E157 V158 M209 P212 L213	P126-V204 HydrophobicContact CG-CG1 4.03Å; V128-V204 HydrophobicContact CG1-CG2 4.17Å; V128-V204 HydrophobicContact CG2-CB 4.25Å; V128-V204 HydrophobicContact CG2-CG1 4.46Å; V128-V204 HydrophobicContact CG2-CG2 3.78Å; V148-V204 HydrophobicContact CG1-CG1 4.12Å; V148-V204 HydrophobicContact CG2-CG2 3.84Å; I156-V204 HydrophobicContact CD1-CG1 3.73Å; I156-V204 HydrophobicContact CG1-CG1 4.02Å; E157-V204 WeakPolarHBondContact O-CA 3.49Å; V158-V204 HydrophobicContact CG1-CG2 4.21Å; V158-V204 HydrophobicContact CG2-CG1 4.45Å; V158-V204 HydrophobicContact CG2-CG2 4.25Å; V204-M209 HydrophobicContact CG1-CE 4.24Å; V204-P212 WeakPolarHBondContact O-CA 3.19Å; V204-L213 HydrophobicContact CB-CB 4.48Å; V204-L213 PolarHBondContact N-O 2.88Å; V204-L213 PolarHBondContact O-N 2.68Å
205	E	98.5	Very high	95.7	Very high	61 Å²	61	54.8 Å²	54.8	29%	0.285	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126	174.3	-74.2	176.8	-158.8	0	0	109.3	I156 E157 R159 Q203 P212	I156-E205 WeakPolarHBondContact CG1-O 3.43Å; E157-E205 HydrophobicContact CB-CB 4.24Å; E157-E205 PolarHBondContact N-O 3.47Å; E157-E205 PolarHBondContact O-N 2.88Å; R159-E205 IonicContact CZ-OE1 2.67Å; R159-E205 IonicContact NH2-OE1 2.71Å; R159-E205 PolarHBondContact NH2-OE1 3.44Å; R159-E205 IonicContact NH2-OE2 2.94Å; R159-E205 PolarHBondContact NH2-OE2 2.96Å; Q203-E205 PolarHBondContact NE2-OE1 2.76Å; E205-P212 HydrophobicContact CG-CB 3.71Å
206	H	98.6	Very high	96.1	Very high	12 Å²	12	54 Å²	54	6%	0.056	32%	0.321	C	S	.	.			trans	-153.3	140.6	-174.4	-177.2	-100.2	0	0	0	110.7	V124 P126 F151 Y152 P153 S155 I156 S208 M209	V124-H206 PolarHBondContact O-CE1 3.08Å; V124-H206 VanDerWaalsContact O-CE1 3.24Å; P126-H206 HydrophobicContact CG-CB 4.49Å; F151-H206 AromaticContact CD2-CD2 3.9Å; F151-H206 AromaticContact CD2-NE2 3.73Å; Y152-H206 PolarHBondContact O-CE1 3.17Å; Y152-H206 VanDerWaalsContact O-CE1 3.24Å; P153-H206 PolarHBondContact O-NE2 3.02Å; S155-H206 PolarHBondContact O-CD2 3.22Å; S155-H206 VanDerWaalsContact O-CD2 3.27Å; I156-H206 HydrophobicContact CD1-CB 4.36Å; I156-H206 HydrophobicContact CG1-CB 4.17Å; H206-S208 PolarHBondContact CE1-OG 2.89Å; H206-S208 VanDerWaalsContact CE1-OG 3.22Å; H206-S208 WeakPolarHBondContact ND1-CB 3.35Å; H206-S208 PolarHBondContact ND1-N 3.47Å; H206-S208 PolarHBondContact ND1-OG 3.44Å; H206-S208 PolarHBondContact O-N 3.34Å; H206-M209 HydrophobicContact CB-CE 3.79Å; H206-M209 PolarHBondContact O-N 2.95Å
207	P	97.3	Very high	96.5	Very high	74 Å²	74	51.6 Å²	51.6	48%	0.481	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.8	-175.5	-26.9	35.7	0	0	0	116.9	S155 M209	S155-P207 WeakPolarHBondContact O-CD 3.21Å; P207-M209 VanDerWaalsContact C-N 3.29Å
208	S	97	Very high	96.7	Very high	19 Å²	19	51.1 Å²	51.1	13%	0.133	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.2	175.4	69.7	0	0	0	0	114	V124 Q125 H206	V124-S208 PolarHBondContact O-OG 3.26Å; Q125-S208 VanDerWaalsContact CA-OG 3.27Å; Q125-S208 WeakPolarHBondContact CA-OG 3.33Å; Q125-S208 WeakPolarHBondContact CG-OG 3.27Å; Q125-S208 PolarHBondContact NE2-O 3.31Å; H206-S208 PolarHBondContact CE1-OG 2.89Å; H206-S208 VanDerWaalsContact CE1-OG 3.22Å; H206-S208 WeakPolarHBondContact ND1-CB 3.35Å; H206-S208 PolarHBondContact ND1-N 3.47Å; H206-S208 PolarHBondContact ND1-OG 3.44Å; H206-S208 PolarHBondContact O-N 3.34Å
209	M	97.2	Very high	96.3	Very high	35 Å²	35	50.7 Å²	50.7	17%	0.172	28%	0.282	C	S	.	.			trans	-127	143.4	-178.1	-57.9	-175.4	-69.2	0	0	110.1	Q125 P126 V204 H206 P207 L213	Q125-M209 HydrophobicContact CG-CG 3.96Å; P126-M209 HydrophobicContact CG-CE 3.7Å; P126-M209 HydrophobicContact CG-SD 4.27Å; V204-M209 HydrophobicContact CG1-CE 4.24Å; H206-M209 HydrophobicContact CB-CE 3.79Å; H206-M209 PolarHBondContact O-N 2.95Å; P207-M209 VanDerWaalsContact C-N 3.29Å; M209-L213 HydrophobicContact CE-CB 3.8Å; M209-L213 HydrophobicContact SD-CB 3.8Å; M209-L213 HydrophobicContact SD-CD2 4.18Å
210	M	96.8	Very high	95.3	Very high	198 Å²	198	58.9 Å²	58.9	98%	0.975	31%	0.308	S	S	*	.	S	Bend	trans	-79.5	-22.6	179.4	-67.2	-59.3	-61.8	0	0	113.4
211	S	97.4	Very high	93.2	Very high	82 Å²	82	61.5 Å²	61.5	57%	0.573	33%	0.327	S	S	*	.	S	Bend	trans	-136.6	154.6	-179.4	60.3	0	0	0	0	109.6	L213	S211-L213 PolarHBondContact O-N 3.25Å
212	P	97.5	Very high	91.2	Very high	57 Å²	57	66.7 Å²	66.7	37%	0.37	35%	0.35	S	S	.	.			trans	-57.1	136.9	173.6	21.3	-32	0	0	0	111.6	Q203 V204 E205	Q203-P212 HydrophobicContact CG-CB 3.76Å; Q203-P212 VanDerWaalsContact NE2-CB 3.34Å; V204-P212 WeakPolarHBondContact O-CA 3.19Å; E205-P212 HydrophobicContact CG-CB 3.71Å
213	L	98	Very high	88.9	Confident	60 Å²	60	68.8 Å²	68.8	31%	0.314	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.3	172	175.4	60.9	0	0	0	109.2	V128 Q203 V204 M209 S211	V128-L213 HydrophobicContact CB-CD2 4.09Å; V128-L213 HydrophobicContact CG2-CD2 3.56Å; V128-L213 HydrophobicContact CG2-CG 4.38Å; Q203-L213 CarbonylContact C-O 3.5Å; Q203-L213 WeakPolarHBondContact CA-O 3.48Å; V204-L213 HydrophobicContact CB-CB 4.48Å; V204-L213 PolarHBondContact N-O 2.88Å; V204-L213 PolarHBondContact O-N 2.68Å; M209-L213 HydrophobicContact CE-CB 3.8Å; M209-L213 HydrophobicContact SD-CB 3.8Å; M209-L213 HydrophobicContact SD-CD2 4.18Å; S211-L213 PolarHBondContact O-N 3.25Å
214	T	97.8	Very high	86.7	Confident	75 Å²	75	70 Å²	70	46%	0.46	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.5	178.8	57	0	0	0	0	111.4	T201 C202 Q203	T201-T214 HydrophobicContact CG2-CG2 4.14Å; C202-T214 CarbonylContact O-C 3.55Å; C202-T214 WeakPolarHBondContact O-CA 3.38Å; Q203-T214 HydrophobicContact CB-CG2 4.13Å; Q203-T214 HydrophobicContact CG-CG2 4Å
215	V	97.9	Very high	84.7	Confident	38 Å²	38	77.4 Å²	77.4	23%	0.23	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.7	172.2	-179.2	0	0	0	0	109	V128 V130 T201 C202	V128-V215 HydrophobicContact CB-CG2 3.85Å; V128-V215 HydrophobicContact CG1-CB 4.15Å; V128-V215 HydrophobicContact CG1-CG2 3.63Å; V130-V215 HydrophobicContact CB-CG1 4.07Å; V130-V215 HydrophobicContact CG2-CB 3.86Å; V130-V215 HydrophobicContact CG2-CG1 3.66Å; T201-V215 WeakPolarHBondContact CA-O 3.21Å; C202-V215 PolarHBondContact N-O 3.04Å; C202-V215 PolarHBondContact O-N 3.34Å
216	Q	96.1	Very high	82.9	Confident	141 Å²	141	78.3 Å²	78.3	66%	0.659	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	143.1	179.5	-65.8	-175.9	-11	0	0	111.3	V199 Y200 T201	V199-Q216 HydrophobicContact CG1-CB 4.26Å; V199-Q216 HydrophobicContact CG1-CG 4.3Å; Y200-Q216 CarbonylContact O-C 3.57Å; Y200-Q216 WeakPolarHBondContact O-CA 3.46Å; T201-Q216 HydrophobicContact CG2-CG 4.09Å
217	W	94.3	Very high	81.3	Confident	43 Å²	43	84.3 Å²	84.3	16%	0.163	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.5	169.9	-178.6	93.1	0	0	0	109.3	V130 P132 L144 P194 Y200 A219	V130-W217 HydrophobicContact CB-CB 4.13Å; V130-W217 HydrophobicContact CG1-CB 3.43Å; V130-W217 VanDerWaalsContact CG1-CB 3.43Å; V130-W217 HydrophobicContact CG1-CG 3.95Å; P132-W217 HydrophobicContact CB-CZ2 4.2Å; P132-W217 HydrophobicContact CG-CZ2 4.16Å; L144-W217 HydrophobicContact CD1-CD2 4.44Å; L144-W217 HydrophobicContact CD1-CE3 3.63Å; L144-W217 HydrophobicContact CD1-CZ3 3.75Å; L144-W217 HydrophobicContact CD2-CD2 3.86Å; L144-W217 HydrophobicContact CD2-CE3 3.66Å; L144-W217 HydrophobicContact CD2-CH2 3.68Å; L144-W217 HydrophobicContact CD2-CZ2 3.87Å; L144-W217 HydrophobicContact CD2-CZ3 3.57Å; L144-W217 HydrophobicContact CG-CE3 4.32Å; L144-W217 HydrophobicContact CG-CZ3 4.3Å; P194-W217 HydrophobicContact CB-CH2 3.78Å; P194-W217 HydrophobicContact CB-CZ3 3.86Å; P194-W217 HydrophobicContact CG-CH2 3.95Å; P194-W217 HydrophobicContact CG-CZ3 4.12Å; Y200-W217 AromaticContact CD2-CE3 3.75Å; Y200-W217 HydrophobicContact CD2-CE3 3.75Å; Y200-W217 AromaticContact CD2-CZ3 3.81Å; Y200-W217 HydrophobicContact CD2-CZ3 3.81Å; Y200-W217 HydrophobicContact CE2-CZ3 4.17Å; Y200-W217 HydrophobicContact CG-CE3 4.36Å; Y200-W217 PolarHBondContact N-O 2.92Å; Y200-W217 PolarHBondContact O-N 3.47Å; W217-A219 HydrophobicContact CH2-CB 4.22Å; W217-A219 HydrophobicContact CZ3-CB 4.49Å
218	S	90.9	Very high	79.8	Confident	60 Å²	60	87.2 Å²	87.2	42%	0.42	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.4	173.7	62	0	0	0	0	108.6	R220	S218-R220 VanDerWaalsContact C-N 3.34Å; S218-R220 PolarHBondContact O-N 2.84Å
219	A	83.1	Confident	78.5	Confident	10 Å²	10	92.8 Å²	92.8	8%	0.083	49%	0.49	C	S	.	.			trans	-57	94	166.7	0	0	0	0	0	110.6	L138 W217 S221	L138-A219 HydrophobicContact CD1-CB 3.84Å; L138-A219 HydrophobicContact CD2-CB 3.29Å; L138-A219 HydrophobicContact CG-CB 4.21Å; W217-A219 HydrophobicContact CH2-CB 4.22Å; W217-A219 HydrophobicContact CZ3-CB 4.49Å; A219-S221 PolarHBondContact O-N 3.43Å
220	R	72.8	Confident	77.4	Confident	221 Å²	221	94.9 Å²	94.9	83%	0.834	51%	0.508	S	S	*	.			trans	-71.8	127.3	171.8	-130.5	170.5	-167.6	161	3.3	107.5	S218 E222	S218-R220 VanDerWaalsContact C-N 3.34Å; S218-R220 PolarHBondContact O-N 2.84Å; R220-E222 PolarHBondContact O-N 3.49Å
221	S	53.1	Low	76.4	Confident	56 Å²	56	87.4 Å²	87.4	39%	0.392	48%	0.481	S	S	.	.			trans	-62.1	125.2	176.2	-175.1	0	0	0	0	109.5	A219 S223 A224	A219-S221 PolarHBondContact O-N 3.43Å; S221-S223 PolarHBondContact O-N 3.45Å; S221-S223 VanDerWaalsContact O-N 3.11Å; S221-S223 WeakPolarHBondContact OG-CB 3.35Å; S221-S223 PolarHBondContact OG-N 2.9Å; S221-A224 WeakPolarHBondContact O-CB 3.46Å; S221-A224 PolarHBondContact O-N 3.31Å
222	E	55.5	Low	75.9	Confident	126 Å²	126	87.2 Å²	87.2	59%	0.589	48%	0.477	S	S	*	.	H	α-helix	trans	-52	-29.3	166.6	-72.4	-175.1	154.7	0	0	111.3	R220 A224 Q225 S226	R220-E222 PolarHBondContact O-N 3.49Å; E222-A224 PolarHBondContact O-N 2.85Å; E222-Q225 PolarHBondContact O-N 3.14Å; E222-S226 WeakPolarHBondContact O-CB 3.42Å; E222-S226 PolarHBondContact O-N 3.5Å
223	S	50.4	Low	75.2	Confident	43 Å²	43	86.1 Å²	86.1	30%	0.301	48%	0.476	S	S	.	.	H	α-helix	trans	-54.9	-34.8	173.9	-163.7	0	0	0	0	112.3	S221 K227	S221-S223 PolarHBondContact O-N 3.45Å; S221-S223 VanDerWaalsContact O-N 3.11Å; S221-S223 WeakPolarHBondContact OG-CB 3.35Å; S221-S223 PolarHBondContact OG-N 2.9Å; S223-K227 WeakPolarHBondContact O-CB 3.25Å; S223-K227 WeakPolarHBondContact O-CD 3.4Å; S223-K227 WeakPolarHBondContact O-CG 3.46Å; S223-K227 PolarHBondContact O-N 3.34Å; S223-K227 WeakPolarHBondContact OG-CD 3.31Å; S223-K227 WeakPolarHBondContact OG-CE 3.46Å; S223-K227 PolarHBondContact OG-NZ 2.82Å
224	A	53	Low	74.7	Confident	59 Å²	59	85.3 Å²	85.3	49%	0.488	48%	0.482	S	S	.	.	H	α-helix	trans	-70.1	-41.2	179.7	0	0	0	0	0	112.2	S221 E222 M228	S221-A224 WeakPolarHBondContact O-CB 3.46Å; S221-A224 PolarHBondContact O-N 3.31Å; E222-A224 PolarHBondContact O-N 2.85Å; A224-M228 VanDerWaalsContact O-CB 3.26Å; A224-M228 WeakPolarHBondContact O-CB 3.35Å; A224-M228 PolarHBondContact O-N 3.33Å
225	Q	55.6	Low	74.3	Confident	155 Å²	155	88.3 Å²	88.3	72%	0.724	49%	0.489	S	S	*	.	H	α-helix	trans	-71	-45.9	176	-93.9	-178.7	-28.7	0	0	111.9	E222 M228 L229	E222-Q225 PolarHBondContact O-N 3.14Å; Q225-M228 PolarHBondContact O-N 2.83Å; Q225-L229 PolarHBondContact O-N 2.97Å
226	S	60.5	Low	74.1	Confident	80 Å²	80	90 Å²	90	56%	0.559	50%	0.499	S	S	*	.	H	α-helix	trans	-61.3	-46.8	177.6	169.8	0	0	0	0	111.7	E222 M228 L229 S230	E222-S226 WeakPolarHBondContact O-CB 3.42Å; E222-S226 PolarHBondContact O-N 3.5Å; S226-M228 PolarHBondContact O-N 3.36Å; S226-L229 PolarHBondContact O-N 3.39Å; S226-S230 PolarHBondContact O-N 3.31Å; S226-S230 PolarHBondContact O-OG 2.85Å
227	K	65.3	Low	73.9	Confident	138 Å²	138	88.1 Å²	88.1	60%	0.6	49%	0.493	S	S	*	.	H	α-helix	trans	-65.3	-36.8	177.6	-73.7	170.5	173.3	160.2	0	112.5	S223 S230 G231	S223-K227 WeakPolarHBondContact O-CB 3.25Å; S223-K227 WeakPolarHBondContact O-CD 3.4Å; S223-K227 WeakPolarHBondContact O-CG 3.46Å; S223-K227 PolarHBondContact O-N 3.34Å; S223-K227 WeakPolarHBondContact OG-CD 3.31Å; S223-K227 WeakPolarHBondContact OG-CE 3.46Å; S223-K227 PolarHBondContact OG-NZ 2.82Å; K227-S230 WeakPolarHBondContact CA-OG 3.4Å; K227-S230 PolarHBondContact O-OG 2.56Å; K227-G231 PolarHBondContact O-N 2.88Å
228	M	66.5	Low	73.8	Confident	136 Å²	136	87.5 Å²	87.5	67%	0.67	50%	0.5	S	S	*	.	H	α-helix	trans	-65.9	-44.5	175.8	-169.1	-173	-177.8	0	0	110.8	A224 Q225 S226 G231 V232	A224-M228 VanDerWaalsContact O-CB 3.26Å; A224-M228 WeakPolarHBondContact O-CB 3.35Å; A224-M228 PolarHBondContact O-N 3.33Å; Q225-M228 PolarHBondContact O-N 2.83Å; S226-M228 PolarHBondContact O-N 3.36Å; M228-G231 PolarHBondContact O-N 3.44Å; M228-V232 HydrophobicContact CG-CG2 4.47Å; M228-V232 VanDerWaalsContact O-CG2 3.29Å; M228-V232 WeakPolarHBondContact O-CG2 3.37Å; M228-V232 PolarHBondContact O-N 3.29Å
229	L	69.1	Low	74	Confident	136 Å²	136	88.9 Å²	88.9	71%	0.712	50%	0.502	S	S	*	.	H	α-helix	trans	-66	-42.2	179.6	-167.2	70.4	0	0	0	112	Q225 S226 G231 G233	Q225-L229 PolarHBondContact O-N 2.97Å; S226-L229 PolarHBondContact O-N 3.39Å; L229-G231 VanDerWaalsContact C-N 3.33Å; L229-G233 PolarHBondContact O-N 3.26Å
230	S	73.7	Confident	74.5	Confident	78 Å²	78	93.6 Å²	93.6	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-65.5	-37.2	173.7	63	0	0	0	0	112.1	S226 K227 G233 G234	S226-S230 PolarHBondContact O-N 3.31Å; S226-S230 PolarHBondContact O-OG 2.85Å; K227-S230 WeakPolarHBondContact CA-OG 3.4Å; K227-S230 PolarHBondContact O-OG 2.56Å; S230-G233 PolarHBondContact O-N 3.43Å; S230-G234 PolarHBondContact O-N 3.18Å
231	G	76.9	Confident	75.4	Confident	41 Å²	41	90.3 Å²	90.3	42%	0.423	52%	0.517	S	S	.	.	H	α-helix	trans	-66.5	-44.9	177.4	0	0	0	0	0	112.6	K227 M228 L229 G234 F235	K227-G231 PolarHBondContact O-N 2.88Å; M228-G231 PolarHBondContact O-N 3.44Å; L229-G231 VanDerWaalsContact C-N 3.33Å; G231-G234 PolarHBondContact O-N 3.47Å; G231-F235 WeakPolarHBondContact O-CB 3.48Å; G231-F235 PolarHBondContact O-N 3.03Å
232	V	85	Confident	77.3	Confident	78 Å²	78	92.9 Å²	92.9	47%	0.473	53%	0.526	S	S	.	.	H	α-helix	trans	-62.3	-44.4	174.5	172.9	0	0	0	0	110.3	M228 G234 F235 V236	M228-V232 HydrophobicContact CG-CG2 4.47Å; M228-V232 VanDerWaalsContact O-CG2 3.29Å; M228-V232 WeakPolarHBondContact O-CG2 3.37Å; M228-V232 PolarHBondContact O-N 3.29Å; V232-G234 PolarHBondContact O-N 3.23Å; V232-F235 PolarHBondContact O-N 2.65Å; V232-V236 HydrophobicContact CG1-CG2 4.34Å; V232-V236 WeakPolarHBondContact O-CB 3.38Å; V232-V236 VanDerWaalsContact O-CG2 3.27Å; V232-V236 WeakPolarHBondContact O-CG2 3.47Å; V232-V236 PolarHBondContact O-N 2.82Å
233	G	84.5	Confident	79.1	Confident	34 Å²	34	88.9 Å²	88.9	35%	0.351	52%	0.519	S	S	.	.	H	α-helix	trans	-58.7	-46.6	175.4	0	0	0	0	0	112.9	L229 S230 L237	L229-G233 PolarHBondContact O-N 3.26Å; S230-G233 PolarHBondContact O-N 3.43Å; G233-L237 WeakPolarHBondContact O-CB 3.41Å; G233-L237 WeakPolarHBondContact O-CG 3.48Å; G233-L237 PolarHBondContact O-N 3.04Å
234	G	87.4	Confident	81.1	Confident	43 Å²	43	90.7 Å²	90.7	44%	0.443	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-39.2	176.9	0	0	0	0	0	113.5	S230 G231 V232 L237 G238	S230-G234 PolarHBondContact O-N 3.18Å; G231-G234 PolarHBondContact O-N 3.47Å; V232-G234 PolarHBondContact O-N 3.23Å; G234-L237 PolarHBondContact O-N 3.39Å; G234-G238 PolarHBondContact O-N 3.37Å
235	F	89.5	Confident	82.9	Confident	139 Å²	139	89.7 Å²	89.7	61%	0.61	52%	0.523	S	S	*	.	H	α-helix	trans	-67.4	-43	177.7	-173.9	-104.6	0	0	0	112	G231 V232 G238 L239	G231-F235 WeakPolarHBondContact O-CB 3.48Å; G231-F235 PolarHBondContact O-N 3.03Å; V232-F235 PolarHBondContact O-N 2.65Å; F235-G238 PolarHBondContact O-N 2.95Å; F235-L239 HydrophobicContact CD1-CD1 3.8Å; F235-L239 HydrophobicContact CD1-CG 4.33Å; F235-L239 HydrophobicContact CE1-CD1 3.34Å; F235-L239 HydrophobicContact CE1-CG 4.04Å; F235-L239 HydrophobicContact CZ-CD1 3.85Å; F235-L239 HydrophobicContact CZ-CD2 4.33Å; F235-L239 HydrophobicContact CZ-CG 4.17Å; F235-L239 WeakPolarHBondContact O-CG 3.44Å; F235-L239 PolarHBondContact O-N 3.25Å
236	V	92	Very high	84.6	Confident	74 Å²	74	86.7 Å²	86.7	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-45.3	175.3	172.6	0	0	0	0	110.7	V232 G238 L239 L240	V232-V236 HydrophobicContact CG1-CG2 4.34Å; V232-V236 WeakPolarHBondContact O-CB 3.38Å; V232-V236 VanDerWaalsContact O-CG2 3.27Å; V232-V236 WeakPolarHBondContact O-CG2 3.47Å; V232-V236 PolarHBondContact O-N 2.82Å; V236-G238 PolarHBondContact O-N 2.87Å; V236-L239 PolarHBondContact O-N 2.83Å; V236-L240 HydrophobicContact CG1-CD1 4.31Å; V236-L240 WeakPolarHBondContact O-CG 3.27Å; V236-L240 PolarHBondContact O-N 2.72Å
237	L	92.6	Very high	85.9	Confident	100 Å²	100	89.1 Å²	89.1	52%	0.524	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-44.7	174.6	-75.7	167.1	0	0	0	111.8	G233 G234 L239 L240 F241	G233-L237 WeakPolarHBondContact O-CB 3.41Å; G233-L237 WeakPolarHBondContact O-CG 3.48Å; G233-L237 PolarHBondContact O-N 3.04Å; G234-L237 PolarHBondContact O-N 3.39Å; L237-L239 PolarHBondContact O-N 3.28Å; L237-L240 WeakPolarHBondContact O-CB 3.24Å; L237-L240 PolarHBondContact O-N 3.34Å; L237-F241 WeakPolarHBondContact O-CD2 3.36Å; L237-F241 PolarHBondContact O-N 2.84Å
238	G	92.1	Very high	86.9	Confident	30 Å²	30	87.2 Å²	87.2	31%	0.309	51%	0.508	S	S	.	.	H	α-helix	trans	-60.4	-41.8	176.9	0	0	0	0	0	113.3	G234 F235 V236 F241 L242	G234-G238 PolarHBondContact O-N 3.37Å; F235-G238 PolarHBondContact O-N 2.95Å; V236-G238 PolarHBondContact O-N 2.87Å; G238-F241 PolarHBondContact O-N 2.78Å; G238-L242 WeakPolarHBondContact O-CB 3.49Å; G238-L242 WeakPolarHBondContact O-CG 3.48Å; G238-L242 PolarHBondContact O-N 3.01Å
239	L	94.8	Very high	87.9	Confident	89 Å²	89	87.1 Å²	87.1	47%	0.466	50%	0.501	S	S	.	.	H	α-helix	trans	-66	-36.3	175.1	-73.9	179	0	0	0	112.7	F235 V236 L237 L242 G243	F235-L239 HydrophobicContact CD1-CD1 3.8Å; F235-L239 HydrophobicContact CD1-CG 4.33Å; F235-L239 HydrophobicContact CE1-CD1 3.34Å; F235-L239 HydrophobicContact CE1-CG 4.04Å; F235-L239 HydrophobicContact CZ-CD1 3.85Å; F235-L239 HydrophobicContact CZ-CD2 4.33Å; F235-L239 HydrophobicContact CZ-CG 4.17Å; F235-L239 WeakPolarHBondContact O-CG 3.44Å; F235-L239 PolarHBondContact O-N 3.25Å; V236-L239 PolarHBondContact O-N 2.83Å; L237-L239 PolarHBondContact O-N 3.28Å; L239-L242 PolarHBondContact O-N 2.95Å; L239-G243 PolarHBondContact O-N 3.34Å
240	L	93.9	Very high	88.7	Confident	110 Å²	110	86.3 Å²	86.3	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-64.5	-42.6	173.7	-70.3	170.6	0	0	0	111.4	V236 L237 T244	V236-L240 HydrophobicContact CG1-CD1 4.31Å; V236-L240 WeakPolarHBondContact O-CG 3.27Å; V236-L240 PolarHBondContact O-N 2.72Å; L237-L240 WeakPolarHBondContact O-CB 3.24Å; L237-L240 PolarHBondContact O-N 3.34Å; L240-T244 WeakPolarHBondContact O-CB 3.42Å; L240-T244 WeakPolarHBondContact O-CG2 3.3Å; L240-T244 PolarHBondContact O-N 3.48Å; L240-T244 PolarHBondContact O-OG1 2.95Å
241	F	92.5	Very high	89.1	Confident	151 Å²	151	90.8 Å²	90.8	66%	0.662	50%	0.497	S	S	*	.	H	α-helix	trans	-67	-40.8	175.1	-75.5	-65.4	0	0	0	112.7	L237 G238 T244 G245	L237-F241 WeakPolarHBondContact O-CD2 3.36Å; L237-F241 PolarHBondContact O-N 2.84Å; G238-F241 PolarHBondContact O-N 2.78Å; F241-T244 WeakPolarHBondContact CA-OG1 3.22Å; F241-T244 PolarHBondContact O-OG1 3.37Å; F241-G245 PolarHBondContact O-N 2.99Å
242	L	92.7	Very high	89.1	Confident	110 Å²	110	94.4 Å²	94.4	58%	0.576	51%	0.507	S	S	*	.	H	α-helix	trans	-63.9	-45.6	174.8	-78.4	166.4	0	0	0	111.8	G238 L239 G245 L246	G238-L242 WeakPolarHBondContact O-CB 3.49Å; G238-L242 WeakPolarHBondContact O-CG 3.48Å; G238-L242 PolarHBondContact O-N 3.01Å; L239-L242 PolarHBondContact O-N 2.95Å; L242-G245 PolarHBondContact O-N 3.48Å; L242-L246 WeakPolarHBondContact O-CB 3.31Å; L242-L246 WeakPolarHBondContact O-CD1 3.43Å; L242-L246 PolarHBondContact O-N 3.03Å
243	G	92.6	Very high	88.5	Confident	42 Å²	42	95.4 Å²	95.4	43%	0.433	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-44.8	178.3	0	0	0	0	0	112.8	L239 F247	L239-G243 PolarHBondContact O-N 3.34Å; G243-F247 WeakPolarHBondContact O-CB 3.36Å; G243-F247 PolarHBondContact O-N 2.88Å
244	T	92.9	Very high	87.5	Confident	81 Å²	81	102.7 Å²	102.7	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-66.3	-41.2	175.4	48.8	0	0	0	0	112.3	L240 F241 F247 I248	L240-T244 WeakPolarHBondContact O-CB 3.42Å; L240-T244 WeakPolarHBondContact O-CG2 3.3Å; L240-T244 PolarHBondContact O-N 3.48Å; L240-T244 PolarHBondContact O-OG1 2.95Å; F241-T244 WeakPolarHBondContact CA-OG1 3.22Å; F241-T244 PolarHBondContact O-OG1 3.37Å; T244-F247 PolarHBondContact O-N 3.4Å; T244-I248 WeakPolarHBondContact O-CG1 3.45Å; T244-I248 PolarHBondContact O-N 2.92Å
245	G	90.1	Very high	86.1	Confident	38 Å²	38	103.5 Å²	103.5	39%	0.392	54%	0.537	S	S	.	.	H	α-helix	trans	-61.6	-46.7	175.1	0	0	0	0	0	113.4	F241 L242 I248 Y249	F241-G245 PolarHBondContact O-N 2.99Å; L242-G245 PolarHBondContact O-N 3.48Å; G245-I248 PolarHBondContact O-N 3.44Å; G245-Y249 WeakPolarHBondContact O-CB 3.22Å; G245-Y249 PolarHBondContact O-N 3.02Å
246	L	91	Very high	84.3	Confident	92 Å²	92	105.4 Å²	105.4	48%	0.482	55%	0.547	S	S	.	.	H	α-helix	trans	-61.6	-42.5	175.1	-88.4	147.1	0	0	0	111.8	L242 I248 Y249 F250	L242-L246 WeakPolarHBondContact O-CB 3.31Å; L242-L246 WeakPolarHBondContact O-CD1 3.43Å; L242-L246 PolarHBondContact O-N 3.03Å; L246-I248 PolarHBondContact O-N 2.98Å; L246-Y249 PolarHBondContact O-N 3.11Å; L246-F250 HydrophobicContact CD2-CD2 4.31Å; L246-F250 HydrophobicContact CD2-CE2 3.63Å; L246-F250 HydrophobicContact CD2-CZ 4.44Å; L246-F250 WeakPolarHBondContact O-CD2 3.45Å; L246-F250 PolarHBondContact O-N 2.68Å
247	F	89.2	Confident	82.3	Confident	131 Å²	131	107.4 Å²	107.4	58%	0.575	57%	0.565	S	S	*	*	H	α-helix	trans	-59.9	-43.9	176.2	179.9	-99.6	0	0	0	112.3	G243 T244 R251	G243-F247 WeakPolarHBondContact O-CB 3.36Å; G243-F247 PolarHBondContact O-N 2.88Å; T244-F247 PolarHBondContact O-N 3.4Å; F247-R251 VanDerWaalsContact CE1-CD 3.48Å; F247-R251 HydrophobicContact CE1-CG 4.33Å; F247-R251 HydrophobicContact CZ-CG 4.37Å; F247-R251 WeakPolarHBondContact O-CG 3.45Å; F247-R251 PolarHBondContact O-N 3Å; F247-R251 VanDerWaalsContact O-N 3.08Å
248	I	86.2	Confident	80.3	Confident	99 Å²	99	105.5 Å²	105.5	51%	0.508	57%	0.569	S	S	.	*	H	α-helix	trans	-66	-44.3	176.7	-66.1	166.6	0	0	0	111	T244 G245 L246 F250 R251 N252	T244-I248 WeakPolarHBondContact O-CG1 3.45Å; T244-I248 PolarHBondContact O-N 2.92Å; G245-I248 PolarHBondContact O-N 3.44Å; L246-I248 PolarHBondContact O-N 2.98Å; I248-F250 PolarHBondContact O-N 3.11Å; I248-R251 PolarHBondContact O-N 3.03Å; I248-N252 PolarHBondContact O-N 3.46Å
249	Y	88	Confident	78.1	Confident	133 Å²	133	112.5 Å²	112.5	52%	0.522	60%	0.599	S	S	.	*	H	α-helix	trans	-58.9	-48.7	178.7	179.3	-97.8	0	0	0	112.4	G245 L246 R251 N252 Q253	G245-Y249 WeakPolarHBondContact O-CB 3.22Å; G245-Y249 PolarHBondContact O-N 3.02Å; L246-Y249 PolarHBondContact O-N 3.11Å; Y249-R251 VanDerWaalsContact C-N 3.33Å; Y249-R251 PolarHBondContact O-N 3Å; Y249-N252 PolarHBondContact O-N 2.9Å; Y249-Q253 HydrophobicContact CE1-CG 4.29Å; Y249-Q253 PolarHBondContact O-N 3.45Å; Y249-Q253 VanDerWaalsContact O-N 3.09Å; Y249-Q253 PolarHBondContact OH-NE2 3.43Å
250	F	84.1	Confident	75.9	Confident	120 Å²	120	117.3 Å²	117.3	53%	0.526	62%	0.619	S	S	.	*	H	α-helix	trans	-67.2	-31.7	177.7	-77.8	-62.3	0	0	0	113.1	L246 I248 K254	L246-F250 HydrophobicContact CD2-CD2 4.31Å; L246-F250 HydrophobicContact CD2-CE2 3.63Å; L246-F250 HydrophobicContact CD2-CZ 4.44Å; L246-F250 WeakPolarHBondContact O-CD2 3.45Å; L246-F250 PolarHBondContact O-N 2.68Å; I248-F250 PolarHBondContact O-N 3.11Å; F250-K254 PolarHBondContact O-N 3.43Å
251	R	82.9	Confident	73.7	Confident	172 Å²	172	117.7 Å²	117.7	65%	0.649	63%	0.628	S	S	*	*	H	α-helix	trans	-64.9	-38.9	171.3	-80.7	-169.7	69	119	2.1	112.2	F247 I248 Y249	F247-R251 VanDerWaalsContact CE1-CD 3.48Å; F247-R251 HydrophobicContact CE1-CG 4.33Å; F247-R251 HydrophobicContact CZ-CG 4.37Å; F247-R251 WeakPolarHBondContact O-CG 3.45Å; F247-R251 PolarHBondContact O-N 3Å; F247-R251 VanDerWaalsContact O-N 3.08Å; I248-R251 PolarHBondContact O-N 3.03Å; Y249-R251 VanDerWaalsContact C-N 3.33Å; Y249-R251 PolarHBondContact O-N 3Å
252	N	77.5	Confident	71.6	Confident	117 Å²	117	117.7 Å²	117.7	63%	0.626	64%	0.641	S	S	*	*	H	α-helix	trans	-70.9	-38.1	178.9	-80.8	-7.9	0	0	0	113	I248 Y249 K254 G255	I248-N252 PolarHBondContact O-N 3.46Å; Y249-N252 PolarHBondContact O-N 2.9Å; N252-K254 VanDerWaalsContact C-N 3.3Å; N252-K254 PolarHBondContact O-N 3.05Å; N252-G255 PolarHBondContact O-N 3.01Å
253	Q	72.5	Confident	69.5	Low	98 Å²	98	115.6 Å²	115.6	46%	0.458	65%	0.645	S	S	.	*	H	α-helix	trans	-62.7	-35.1	176.5	-81.8	-166.9	-15.7	0	0	113.1	Y249 G255 H256	Y249-Q253 HydrophobicContact CE1-CG 4.29Å; Y249-Q253 PolarHBondContact O-N 3.45Å; Y249-Q253 VanDerWaalsContact O-N 3.09Å; Y249-Q253 PolarHBondContact OH-NE2 3.43Å; Q253-G255 PolarHBondContact O-N 3.03Å; Q253-H256 PolarHBondContact O-N 3.08Å
254	K	63.6	Low	67	Low	187 Å²	187	121.4 Å²	121.4	81%	0.813	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-16.8	175.2	-80.8	-175.9	177.3	180	0	113.7	F250 N252	F250-K254 PolarHBondContact O-N 3.43Å; N252-K254 VanDerWaalsContact C-N 3.3Å; N252-K254 PolarHBondContact O-N 3.05Å
255	G	57.6	Low	64.7	Low	61 Å²	61	125.7 Å²	125.7	63%	0.629	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-10.4	178.3	0	0	0	0	0	115.5	N252 Q253	N252-G255 PolarHBondContact O-N 3.01Å; Q253-G255 PolarHBondContact O-N 3.03Å
256	H	52.4	Low	62.7	Low	178 Å²	178	132.9 Å²	132.9	82%	0.824	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-2.8	-176.8	-103.2	35.5	0	0	0	115	Q253 G258	Q253-H256 PolarHBondContact O-N 3.08Å; H256-G258 PolarHBondContact O-N 2.96Å; H256-G258 VanDerWaalsContact O-N 3.11Å
257	S	49.9	Very low	61.3	Low	117 Å²	117	134.9 Å²	134.9	82%	0.818	74%	0.741	S	S	*	*			trans	-86.8	67	169	-56.2	0	0	0	0	109.9
258	G	49.4	Very low	59.8	Low	60 Å²	60	135.1 Å²	135.1	62%	0.619	75%	0.75	S	S	*	*	S	Bend	trans	-156	68.3	-175.5	0	0	0	0	0	112.8	H256	H256-G258 PolarHBondContact O-N 2.96Å; H256-G258 VanDerWaalsContact O-N 3.11Å
259	L	46.7	Very low	58.4	Low	176 Å²	176	137.1 Å²	137.1	92%	0.921	76%	0.763	S	S	*	*			trans	39.8	105.1	149.5	-72.7	153.5	0	0	0	117.5
260	Q	48.1	Very low	56.6	Low	191 Å²	191	137.4 Å²	137.4	89%	0.893	78%	0.777	S	S	*	*			trans	-110.7	133.3	155.1	-156.2	169	-23.3	0	0	109.7
261	P	47	Very low	54.9	Low	118 Å²	118	138.4 Å²	138.4	77%	0.766	79%	0.793	S	S	*	*			trans	-86.7	145.9	-160.8	2.4	17	0	0	0	112.4	G263	P261-G263 PolarHBondContact O-N 3.39Å; P261-G263 VanDerWaalsContact O-N 3.07Å
262	T	50	Low	53.1	Low	151 Å²	151	136.2 Å²	136.2	93%	0.926	80%	0.803	S	S	*	*			trans	-64.6	99.6	171	-22.4	0	0	0	0	110.2
263	G	46.9	Very low	51.3	Low	65 Å²	65	137.6 Å²	137.6	67%	0.67	82%	0.815	S	S	*	*			trans	-103.9	112.4	158.8	0	0	0	0	0	107.8	P261	P261-G263 PolarHBondContact O-N 3.39Å; P261-G263 VanDerWaalsContact O-N 3.07Å
264	L	41.2	Very low	49.7	Very low	165 Å²	165	140.6 Å²	140.6	86%	0.864	84%	0.843	S	S	*	*				67.7	123.6	83.6	-132.7	153.3	0	0	0	111.7
265	L	44	Very low	48.5	Very low	170 Å²	170	136.8 Å²	136.8	89%	0.89	85%	0.845	S	S	*	*			trans	131.5	108.6	176.9	-74.3	173.4	0	0	0	106
266	S	49	Very low	47.7	Very low	189 Å²	189	143.6 Å²	143.6	100%	1.322	87%	0.865	S	S	*	*			cis	-156.2	0	28.8	-167.1	0	0	0	0	111.4

Retrieved 266 of 266 residues in 297.7 ms (Link to these results)

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