A0A024F8R8_HUMAN Loading...

HLA-DRB1 protein

AlphaFold DB , UniProt , Accession A0A024F8R8, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, 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	41.9	Very low	45	Very low	236 Å²	236	129.6 Å²	129.6	100%	1.163	78%	0.784	S	S	*	*				0	92	0	-161	170.7	-172.1	0	0	107
2	V	27.2	Very low	46.1	Very low	133 Å²	133	128.1 Å²	128.1	81%	0.806	76%	0.764	S	S	*	*			trans	-114.2	100.1	-179.9	177.2	0	0	0	0	106.7	L4	V2-L4 PolarHBondContact O-N 3.33Å
3	C	41	Very low	47.3	Very low	111 Å²	111	122.9 Å²	122.9	75%	0.75	74%	0.744	S	S	*	*			trans	-68.2	107	167.2	-79.9	0	0	0	0	108.6	K5	C3-K5 PolarHBondContact O-N 3.17Å; C3-K5 VanDerWaalsContact O-N 3.17Å
4	L	37.8	Very low	48.6	Very low	162 Å²	162	117.6 Å²	117.6	85%	0.848	72%	0.72	S	S	*	*			trans	-76	97.7	161.8	-94	145.1	0	0	0	108.1	V2 L6	V2-L4 PolarHBondContact O-N 3.33Å; L4-L6 PolarHBondContact O-N 3.27Å
5	K	44.6	Very low	49.7	Very low	196 Å²	196	116 Å²	116	85%	0.852	71%	0.705	S	S	*	*			trans	-66	115	165.7	-78.9	-169.8	171.8	-177.3	0	108.5	C3	C3-K5 PolarHBondContact O-N 3.17Å; C3-K5 VanDerWaalsContact O-N 3.17Å
6	L	43.5	Very low	50.5	Low	148 Å²	148	112.9 Å²	112.9	78%	0.775	69%	0.686	S	S	*	*			trans	-68.3	131	167.5	-74.6	159.4	0	0	0	109	L4 G8	L4-L6 PolarHBondContact O-N 3.27Å; L6-G8 PolarHBondContact O-N 2.92Å
7	P	42.7	Very low	51.3	Low	114 Å²	114	111.5 Å²	111.5	74%	0.74	68%	0.677	S	S	*	*			trans	-71.3	116.8	173.3	-2	17.3	0	0	0	108.6	G9	P7-G9 VanDerWaalsContact C-N 3.34Å; P7-G9 PolarHBondContact O-N 3.25Å
8	G	54	Low	51.9	Low	91 Å²	91	109.6 Å²	109.6	94%	0.938	67%	0.666	S	S	*	*			trans	-63.6	93.7	168.6	0	0	0	0	0	109.6	L6	L6-G8 PolarHBondContact O-N 2.92Å
9	G	50.8	Low	52.3	Low	40 Å²	40	109.5 Å²	109.5	41%	0.412	66%	0.661	S	S	.	*			trans	-130.5	142.1	178.6	0	0	0	0	0	110.5	P7 C11 M12	P7-G9 VanDerWaalsContact C-N 3.34Å; P7-G9 PolarHBondContact O-N 3.25Å; G9-C11 PolarHBondContact O-N 3.46Å; G9-M12 PolarHBondContact O-N 2.93Å
10	S	56.2	Low	52.8	Low	104 Å²	104	110.4 Å²	110.4	73%	0.727	66%	0.659	S	S	*	*	H	α-helix	trans	-34.8	-31.9	175.1	170	0	0	0	0	115.1	M12 A13 A14	S10-M12 PolarHBondContact O-N 2.82Å; S10-A13 PolarHBondContact O-N 3.27Å; S10-A14 WeakPolarHBondContact O-CB 3.25Å; S10-A14 PolarHBondContact O-N 2.86Å
11	C	55.5	Low	53.1	Low	91 Å²	91	109.9 Å²	109.9	62%	0.615	66%	0.656	S	S	*	*	H	α-helix	trans	-62.3	-39	178.6	-156.6	0	0	0	0	113.9	G9 A14 L15	G9-C11 PolarHBondContact O-N 3.46Å; C11-A14 PolarHBondContact O-N 3.46Å; C11-L15 WeakPolarHBondContact O-CB 3.38Å; C11-L15 PolarHBondContact O-N 2.87Å
12	M	57.7	Low	53.8	Low	111 Å²	111	105.6 Å²	105.6	55%	0.547	64%	0.637	S	S	.	*	H	α-helix	trans	-70.4	-39.4	176.7	-75.8	-65.6	-73.1	0	0	111.1	G9 S10 L15 T16	G9-M12 PolarHBondContact O-N 2.93Å; S10-M12 PolarHBondContact O-N 2.82Å; M12-L15 PolarHBondContact O-N 2.58Å; M12-T16 WeakPolarHBondContact O-CB 3.36Å; M12-T16 PolarHBondContact O-N 3.3Å; M12-T16 PolarHBondContact O-OG1 3.13Å
13	A	61.8	Low	55.1	Low	61 Å²	61	102.7 Å²	102.7	50%	0.504	62%	0.623	S	S	.	*	H	α-helix	trans	-63.4	-44.5	174.2	0	0	0	0	0	111	S10 T16 V17	S10-A13 PolarHBondContact O-N 3.27Å; A13-T16 PolarHBondContact O-N 3.39Å; A13-V17 WeakPolarHBondContact O-CB 3.47Å; A13-V17 VanDerWaalsContact O-CG2 3.25Å; A13-V17 WeakPolarHBondContact O-CG2 3.45Å; A13-V17 PolarHBondContact O-N 2.88Å
14	A	64.9	Low	55.6	Low	49 Å²	49	100.8 Å²	100.8	41%	0.405	61%	0.611	S	S	.	*	H	α-helix	trans	-60.9	-44.6	175.3	0	0	0	0	0	112	S10 C11 V17 T18	S10-A14 WeakPolarHBondContact O-CB 3.25Å; S10-A14 PolarHBondContact O-N 2.86Å; C11-A14 PolarHBondContact O-N 3.46Å; A14-V17 PolarHBondContact O-N 3.18Å; A14-T18 VanDerWaalsContact O-CB 3.29Å; A14-T18 WeakPolarHBondContact O-CB 3.38Å; A14-T18 PolarHBondContact O-N 2.91Å; A14-T18 PolarHBondContact O-OG1 3.48Å
15	L	65.1	Low	56.5	Low	93 Å²	93	99 Å²	99	49%	0.487	61%	0.609	S	S	.	*	H	α-helix	trans	-62.7	-41.9	175.1	-110.9	137.7	0	0	0	112	C11 M12 T18 L19	C11-L15 WeakPolarHBondContact O-CB 3.38Å; C11-L15 PolarHBondContact O-N 2.87Å; M12-L15 PolarHBondContact O-N 2.58Å; L15-T18 PolarHBondContact O-N 3.25Å; L15-L19 HydrophobicContact CD2-CD1 4.11Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 2.62Å
16	T	63.7	Low	56.9	Low	67 Å²	67	96.6 Å²	96.6	41%	0.411	61%	0.605	S	S	.	*	H	α-helix	trans	-67	-41.6	179	-35.5	0	0	0	0	110.8	M12 A13 L19 M20	M12-T16 WeakPolarHBondContact O-CB 3.36Å; M12-T16 PolarHBondContact O-N 3.3Å; M12-T16 PolarHBondContact O-OG1 3.13Å; A13-T16 PolarHBondContact O-N 3.39Å; T16-L19 PolarHBondContact O-N 2.88Å; T16-M20 HydrophobicContact CG2-CE 3.75Å; T16-M20 VanDerWaalsContact O-CG 3.32Å; T16-M20 WeakPolarHBondContact O-CG 3.29Å; T16-M20 PolarHBondContact O-N 2.82Å
17	V	63.7	Low	57.7	Low	88 Å²	88	93.4 Å²	93.4	53%	0.533	60%	0.6	S	S	.	*	H	α-helix	trans	-65.6	-41	175	172.1	0	0	0	0	111	A13 A14 M20 V21	A13-V17 WeakPolarHBondContact O-CB 3.47Å; A13-V17 VanDerWaalsContact O-CG2 3.25Å; A13-V17 WeakPolarHBondContact O-CG2 3.45Å; A13-V17 PolarHBondContact O-N 2.88Å; A14-V17 PolarHBondContact O-N 3.18Å; V17-M20 PolarHBondContact O-N 3.36Å; V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 VanDerWaalsContact O-CG2 3.27Å; V17-V21 WeakPolarHBondContact O-CG2 3.32Å; V17-V21 PolarHBondContact O-N 2.84Å
18	T	62.5	Low	58.3	Low	77 Å²	77	95.8 Å²	95.8	47%	0.472	61%	0.606	S	S	.	*	H	α-helix	trans	-68.5	-39.2	179.3	-49.9	0	0	0	0	111	A14 L15 V21 L22	A14-T18 VanDerWaalsContact O-CB 3.29Å; A14-T18 WeakPolarHBondContact O-CB 3.38Å; A14-T18 PolarHBondContact O-N 2.91Å; A14-T18 PolarHBondContact O-OG1 3.48Å; L15-T18 PolarHBondContact O-N 3.25Å; T18-V21 PolarHBondContact O-N 3.22Å; T18-L22 HydrophobicContact CG2-CD1 3.95Å; T18-L22 WeakPolarHBondContact O-CB 3.42Å; T18-L22 WeakPolarHBondContact O-CG 3.43Å; T18-L22 PolarHBondContact O-N 2.99Å
19	L	58.9	Low	58.7	Low	108 Å²	108	95.4 Å²	95.4	57%	0.565	59%	0.594	S	S	*	*	H	α-helix	trans	-63.2	-42.9	170.7	-102.3	131.6	0	0	0	111.3	L15 T16 V21 L22 S23	L15-L19 HydrophobicContact CD2-CD1 4.11Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 2.62Å; T16-L19 PolarHBondContact O-N 2.88Å; L19-V21 PolarHBondContact O-N 3.3Å; L19-L22 PolarHBondContact O-N 3.18Å; L19-S23 WeakPolarHBondContact O-CA 3.35Å; L19-S23 WeakPolarHBondContact O-CB 3.16Å; L19-S23 PolarHBondContact O-N 3.14Å; L19-S23 PolarHBondContact O-OG 3.02Å
20	M	62.3	Low	59.4	Low	127 Å²	127	96 Å²	96	63%	0.626	60%	0.6	S	S	*	*	H	α-helix	trans	-65.7	-35.4	176.3	-72.5	-169.5	-145.9	0	0	113.1	T16 V17 S23 S24	T16-M20 HydrophobicContact CG2-CE 3.75Å; T16-M20 VanDerWaalsContact O-CG 3.32Å; T16-M20 WeakPolarHBondContact O-CG 3.29Å; T16-M20 PolarHBondContact O-N 2.82Å; V17-M20 PolarHBondContact O-N 3.36Å; M20-S23 WeakPolarHBondContact CA-OG 3.27Å; M20-S23 CarbonylContact O-C 3.53Å; M20-S24 PolarHBondContact O-N 3.41Å
21	V	60.1	Low	60.4	Low	100 Å²	100	95.9 Å²	95.9	61%	0.606	59%	0.591	S	S	*	*	H	α-helix	trans	-69.9	-42.7	175.8	171.1	0	0	0	0	111.1	V17 T18 L19 S24	V17-V21 HydrophobicContact CG1-CG2 4.39Å; V17-V21 VanDerWaalsContact O-CG2 3.27Å; V17-V21 WeakPolarHBondContact O-CG2 3.32Å; V17-V21 PolarHBondContact O-N 2.84Å; T18-V21 PolarHBondContact O-N 3.22Å; L19-V21 PolarHBondContact O-N 3.3Å; V21-S24 PolarHBondContact O-N 3.37Å; V21-S24 PolarHBondContact O-OG 3.38Å
22	L	55.6	Low	61.7	Low	146 Å²	146	97.7 Å²	97.7	76%	0.764	60%	0.599	S	S	*	*	H	α-helix	trans	-73.4	-26	176.1	-75.7	164.1	0	0	0	113.3	T18 L19 S24	T18-L22 HydrophobicContact CG2-CD1 3.95Å; T18-L22 WeakPolarHBondContact O-CB 3.42Å; T18-L22 WeakPolarHBondContact O-CG 3.43Å; T18-L22 PolarHBondContact O-N 2.99Å; L19-L22 PolarHBondContact O-N 3.18Å; L22-S24 VanDerWaalsContact C-N 3.32Å
23	S	54.7	Low	63.4	Low	73 Å²	73	99 Å²	99	51%	0.51	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.2	37.3	172.9	62.3	0	0	0	0	111.5	L19 M20 P25	L19-S23 WeakPolarHBondContact O-CA 3.35Å; L19-S23 WeakPolarHBondContact O-CB 3.16Å; L19-S23 PolarHBondContact O-N 3.14Å; L19-S23 PolarHBondContact O-OG 3.02Å; M20-S23 WeakPolarHBondContact CA-OG 3.27Å; M20-S23 CarbonylContact O-C 3.53Å; S23-P25 WeakPolarHBondContact O-CD 3.22Å
24	S	52	Low	64.8	Low	71 Å²	71	100.6 Å²	100.6	50%	0.497	61%	0.609	S	S	.	*			trans	-53.5	112.2	159.7	-70.1	0	0	0	0	106.9	M20 V21 L22 L26	M20-S24 PolarHBondContact O-N 3.41Å; V21-S24 PolarHBondContact O-N 3.37Å; V21-S24 PolarHBondContact O-OG 3.38Å; L22-S24 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 2.87Å
25	P	55.4	Low	66.2	Low	123 Å²	123	107.3 Å²	107.3	80%	0.799	62%	0.624	S	S	*	*			trans	-77.7	75	172.8	33	-26.1	0	0	0	104.6	S23 A27	S23-P25 WeakPolarHBondContact O-CD 3.22Å; P25-A27 PolarHBondContact O-N 2.89Å
26	L	54.3	Low	67.6	Low	146 Å²	146	109.6 Å²	109.6	76%	0.764	63%	0.631	S	S	*	*			trans	-61.7	84.8	142.2	-89	100.7	0	0	0	104	S24 L28	S24-L26 PolarHBondContact O-N 2.87Å; L26-L28 PolarHBondContact O-N 3.21Å
27	A	59.3	Low	69.2	Low	82 Å²	82	110.4 Å²	110.4	68%	0.678	63%	0.632	S	S	*	*			trans	-45	109.9	143.7	0	0	0	0	0	103.2	P25 A29	P25-A27 PolarHBondContact O-N 2.89Å; A27-A29 PolarHBondContact O-N 2.94Å
28	L	56.1	Low	70.8	Confident	164 Å²	164	111 Å²	111	86%	0.859	63%	0.627	S	S	*	*			trans	-55.9	93.9	161.9	-98	87.3	0	0	0	103.6	L26 G30	L26-L28 PolarHBondContact O-N 3.21Å; L28-G30 PolarHBondContact O-N 2.92Å
29	A	61.4	Low	72.5	Confident	83 Å²	83	111 Å²	111	69%	0.686	62%	0.622	S	S	*	*			trans	-60.4	99.7	160.5	0	0	0	0	0	102.4	A27 D31	A27-A29 PolarHBondContact O-N 2.94Å; A29-D31 PolarHBondContact O-N 2.91Å
30	G	66.9	Low	74.3	Confident	53 Å²	53	109.3 Å²	109.3	55%	0.546	61%	0.613	S	S	.	*			trans	-48.8	145.1	170.3	0	0	0	0	0	107.7	L28 T32	L28-G30 PolarHBondContact O-N 2.92Å; G30-T32 VanDerWaalsContact O-CG2 3.29Å; G30-T32 WeakPolarHBondContact O-CG2 3.49Å; G30-T32 PolarHBondContact O-N 3.48Å
31	D	77.6	Confident	76.1	Confident	101 Å²	101	107.7 Å²	107.7	54%	0.54	60%	0.603	S	S	.	*			trans	-35.4	108	178.2	170	29	0	0	0	111.7	A29 Q33 R35	A29-D31 PolarHBondContact O-N 2.91Å; D31-Q33 VanDerWaalsContact C-N 3.3Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.43Å; D31-Q33 PolarHBondContact OD1-N 3.27Å; D31-Q33 VanDerWaalsContact OD1-N 3.13Å; D31-R35 IonicContact OD2-CZ 3.34Å; D31-R35 IonicContact OD2-NE 3.18Å; D31-R35 IonicContact OD2-NH2 2.68Å; D31-R35 PolarHBondContact OD2-NH2 3.47Å
32	T	81.9	Confident	77.9	Confident	128 Å²	128	108.3 Å²	108.3	79%	0.785	60%	0.597	S	S	*	*			trans	-93.1	8.3	-176.4	51.2	0	0	0	0	112	G30	G30-T32 VanDerWaalsContact O-CG2 3.29Å; G30-T32 WeakPolarHBondContact O-CG2 3.49Å; G30-T32 PolarHBondContact O-N 3.48Å
33	Q	92.7	Very high	79.9	Confident	139 Å²	139	103.4 Å²	103.4	65%	0.65	57%	0.571	S	S	*	*			trans	-61.6	132.8	179.8	-166.1	173.2	-4.8	0	0	109.7	D31 R35	D31-Q33 VanDerWaalsContact C-N 3.3Å; D31-Q33 WeakPolarHBondContact OD1-CB 3.43Å; D31-Q33 PolarHBondContact OD1-N 3.27Å; D31-Q33 VanDerWaalsContact OD1-N 3.13Å; Q33-R35 PolarHBondContact O-N 2.91Å
34	P	92.3	Very high	82	Confident	94 Å²	94	101.9 Å²	101.9	61%	0.61	56%	0.559	S	S	*	*			trans	-59.8	132.8	177.6	24.2	-34.1	0	0	0	110.1	F36	P34-F36 HydrophobicContact CB-CE2 4.02Å; P34-F36 HydrophobicContact CB-CZ 4.01Å; P34-F36 HydrophobicContact CG-CE2 4.28Å
35	R	93.6	Very high	84.2	Confident	190 Å²	190	101.9 Å²	101.9	72%	0.717	55%	0.551	S	S	*	*			trans	-108.4	136.2	179.4	-62.9	-173.3	179.5	-170.2	-2.5	109.9	D31 Q33	D31-R35 IonicContact OD2-CZ 3.34Å; D31-R35 IonicContact OD2-NE 3.18Å; D31-R35 IonicContact OD2-NH2 2.68Å; D31-R35 PolarHBondContact OD2-NH2 3.47Å; Q33-R35 PolarHBondContact O-N 2.91Å
36	F	95.3	Very high	86.3	Confident	142 Å²	142	99.5 Å²	99.5	62%	0.623	53%	0.529	S	S	*	.			trans	-124.2	135.2	177.3	-54.1	-79.9	0	0	0	108.2	P34 Y61	P34-F36 HydrophobicContact CB-CE2 4.02Å; P34-F36 HydrophobicContact CB-CZ 4.01Å; P34-F36 HydrophobicContact CG-CE2 4.28Å; F36-Y61 WeakPolarHBondContact CD1-OH 3.42Å
37	L	97.2	Very high	88.4	Confident	83 Å²	83	97.3 Å²	97.3	44%	0.435	51%	0.513	S	S	.	.			trans	-129.3	124.9	-178.3	177.1	65.7	0	0	0	109.3	Q39 Y61 N62	L37-Q39 HydrophobicContact CD1-CG 4.08Å; L37-Q39 HydrophobicContact CD2-CG 4.06Å; L37-Q39 HydrophobicContact CG-CG 3.84Å; L37-Y61 CarbonylContact O-C 3.59Å; L37-Y61 WeakPolarHBondContact O-CA 3.42Å; L37-N62 PolarHBondContact N-OD1 2.88Å; L37-N62 PolarHBondContact O-N 3.43Å
38	K	96.9	Very high	90.1	Very high	102 Å²	102	99.8 Å²	99.8	44%	0.443	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.2	167.7	-179.3	72.1	-170.1	175.9	0	108.2	I60 Y61	K38-I60 WeakPolarHBondContact CD-O 3.34Å; K38-Y61 HydrophobicContact CD-CD2 4.32Å
39	Q	98.3	Very high	92	Very high	75 Å²	75	93.5 Å²	93.5	35%	0.35	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.3	175.4	-54.4	176.6	-76.6	0	0	109.4	L37 I60	L37-Q39 HydrophobicContact CD1-CG 4.08Å; L37-Q39 HydrophobicContact CD2-CG 4.06Å; L37-Q39 HydrophobicContact CG-CG 3.84Å; Q39-I60 HydrophobicContact CB-CB 4.24Å; Q39-I60 PolarHBondContact N-O 2.93Å; Q39-I60 PolarHBondContact O-N 3.3Å
40	D	97.4	Very high	93.7	Very high	73 Å²	73	92 Å²	92	39%	0.39	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.5	169.9	-74.1	-82.4	0	0	0	107.9	F42 H57 R58	D40-F42 HydrophobicContact CB-CE2 3.99Å; D40-F42 HydrophobicContact CB-CZ 4.23Å; D40-H57 IonicContact OD1-CD2 3.29Å; D40-H57 IonicContact OD1-CE1 3.94Å; D40-H57 PolarHBondContact OD1-CE1 3.46Å; D40-H57 IonicContact OD1-NE2 2.91Å; D40-H57 PolarHBondContact OD1-NE2 3.28Å; D40-R58 WeakPolarHBondContact CA-O 3.47Å
41	K	98.5	Very high	95.1	Very high	93 Å²	93	96.4 Å²	96.4	40%	0.404	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.9	175	-65.2	-174.2	177.1	-175.9	0	109.3	E43 H57 R58 I60	K41-E43 HydrophobicContact CB-CG 4.21Å; K41-H57 CarbonylContact O-C 3.58Å; K41-H57 WeakPolarHBondContact O-CA 3.39Å; K41-R58 HydrophobicContact CB-CB 4.31Å; K41-R58 PolarHBondContact N-O 3.5Å; K41-R58 PolarHBondContact O-N 3.48Å; K41-I60 HydrophobicContact CD-CD1 3.89Å; K41-I60 HydrophobicContact CG-CD1 4.09Å
42	F	98.3	Very high	96	Very high	113 Å²	113	98.7 Å²	98.7	50%	0.496	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	105.8	172.6	-58.1	-77.9	0	0	0	107.1	D40 Y55 L56 H57	D40-F42 HydrophobicContact CB-CE2 3.99Å; D40-F42 HydrophobicContact CB-CZ 4.23Å; F42-Y55 HydrophobicContact CB-CE2 4.44Å; F42-Y55 HydrophobicContact CD1-CE2 4.41Å; F42-Y55 WeakPolarHBondContact CD1-OH 3.39Å; F42-L56 CarbonylContact C-O 3.58Å; F42-L56 WeakPolarHBondContact CA-O 3.33Å; F42-H57 HydrophobicContact CD1-CB 3.92Å; F42-H57 AromaticContact CD1-CD2 3.49Å; F42-H57 VanDerWaalsContact CD1-CD2 3.49Å; F42-H57 WeakPolarHBondContact CD1-CD2 3.1Å; F42-H57 AromaticContact CD1-CG 3.84Å; F42-H57 HydrophobicContact CE1-CB 3.99Å; F42-H57 AromaticContact CE1-CD2 3.05Å; F42-H57 WeakPolarHBondContact CE1-CD2 3.37Å; F42-H57 AromaticContact CE1-CG 3.45Å; F42-H57 VanDerWaalsContact CE1-CG 3.45Å; F42-H57 AromaticContact CE1-NE2 3.59Å; F42-H57 AromaticContact CZ-CD2 3.53Å; F42-H57 AromaticContact CZ-NE2 3.66Å
43	E	98.7	Very high	96.8	Very high	44 Å²	44	93 Å²	93	21%	0.206	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.9	-172.6	-50.6	178.4	-175.5	0	0	109.5	K41 H45 Y55 L56 R58	K41-E43 HydrophobicContact CB-CG 4.21Å; E43-H45 IonicContact OE2-CE1 2.69Å; E43-H45 IonicContact OE2-NE2 3.48Å; E43-H45 PolarHBondContact OE2-NE2 3.41Å; E43-Y55 CarbonylContact O-C 3.53Å; E43-Y55 WeakPolarHBondContact O-CA 3.14Å; E43-L56 HydrophobicContact CB-CB 4.23Å; E43-L56 PolarHBondContact N-O 3.35Å; E43-L56 PolarHBondContact O-N 3.13Å; E43-R58 WeakPolarHBondContact OE1-CD 3.32Å; E43-R58 IonicContact OE1-CZ 2.63Å; E43-R58 IonicContact OE1-NE 3.65Å; E43-R58 IonicContact OE1-NH1 3.87Å; E43-R58 PolarHBondContact OE1-NH1 2.87Å
44	C	98.6	Very high	97.1	Very high	40 Å²	40	90 Å²	90	27%	0.27	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.3	171.5	-65.2	0	0	0	0	108.4	F46 C108	C44-F46 HydrophobicContact CB-CD2 4.43Å; C44-F46 HydrophobicContact CB-CE2 3.54Å; C44-F46 HydrophobicContact CB-CZ 3.59Å; C44-F46 WeakPolarHBondContact O-CD2 3.42Å; C44-F46 WeakPolarHBondContact O-CE2 3.1Å; C44-C108 HydrophobicContact CB-CB 3.6Å; C44-C108 WeakPolarHBondContact CB-SG 3.29Å; C44-C108 WeakPolarHBondContact SG-CA 3.25Å; C44-C108 WeakPolarHBondContact SG-CB 3.43Å; C44-C108 CovalentContact SG-SG 2.03Å; C44-C108 PolarHBondContact SG-SG 2.84Å
45	H	98.4	Very high	97.4	Very high	71 Å²	71	85.6 Å²	85.6	33%	0.329	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.9	178.6	-64.1	-97.5	0	0	0	108.9	E43 F47 V53 R54	E43-H45 IonicContact OE2-CE1 2.69Å; E43-H45 IonicContact OE2-NE2 3.48Å; E43-H45 PolarHBondContact OE2-NE2 3.41Å; H45-F47 HydrophobicContact CB-CE2 3.82Å; H45-F47 HydrophobicContact CB-CZ 4.07Å; H45-V53 WeakPolarHBondContact O-CA 3.44Å; H45-R54 HydrophobicContact CB-CB 4.3Å; H45-R54 PolarHBondContact N-O 3.47Å; H45-R54 PolarHBondContact O-N 3.31Å
46	F	98.4	Very high	97.7	Very high	73 Å²	73	77 Å²	77	32%	0.32	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.1	-173.8	-63.2	-79.5	0	0	0	110.5	C44 G49 T50 V53 C108 Y112	C44-F46 HydrophobicContact CB-CD2 4.43Å; C44-F46 HydrophobicContact CB-CE2 3.54Å; C44-F46 HydrophobicContact CB-CZ 3.59Å; C44-F46 WeakPolarHBondContact O-CD2 3.42Å; C44-F46 WeakPolarHBondContact O-CE2 3.1Å; F46-G49 WeakPolarHBondContact CB-O 3.19Å; F46-T50 HydrophobicContact CD1-CG2 4.15Å; F46-T50 HydrophobicContact CE1-CG2 4.32Å; F46-V53 HydrophobicContact CD1-CG1 4.22Å; F46-V53 HydrophobicContact CD1-CG2 3.85Å; F46-V53 HydrophobicContact CE1-CG1 4.03Å; F46-V53 HydrophobicContact CE1-CG2 4.13Å; F46-C108 HydrophobicContact CE1-CB 4.11Å; F46-C108 HydrophobicContact CZ-CB 4Å; F46-C108 WeakPolarHBondContact CZ-O 3.24Å; F46-Y112 HydrophobicContact CB-CD2 4.49Å; F46-Y112 HydrophobicContact CB-CE2 4.41Å; F46-Y112 AromaticContact CD1-CD2 3.56Å; F46-Y112 HydrophobicContact CD1-CD2 3.56Å; F46-Y112 HydrophobicContact CD1-CE2 4.2Å; F46-Y112 HydrophobicContact CD1-CG 4.24Å; F46-Y112 HydrophobicContact CD2-CD2 4.03Å; F46-Y112 AromaticContact CE1-CD2 3.66Å; F46-Y112 HydrophobicContact CE1-CD2 3.66Å; F46-Y112 AromaticContact CE1-CG 3.99Å; F46-Y112 HydrophobicContact CE1-CG 3.99Å; F46-Y112 HydrophobicContact CE2-CD2 4.1Å; F46-Y112 AromaticContact CG-CD2 3.76Å; F46-Y112 HydrophobicContact CG-CD2 3.76Å; F46-Y112 HydrophobicContact CG-CE2 4.16Å; F46-Y112 AromaticContact CZ-CD2 3.92Å; F46-Y112 HydrophobicContact CZ-CD2 3.92Å; F46-Y112 HydrophobicContact CZ-CG 4.33Å
47	F	97.8	Very high	97.8	Very high	100 Å²	100	70.4 Å²	70.4	44%	0.439	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.3	178.7	-54	-88.7	0	0	0	109.5	H45 R52 R54	H45-F47 HydrophobicContact CB-CE2 3.82Å; H45-F47 HydrophobicContact CB-CZ 4.07Å; F47-R52 HydrophobicContact CB-CB 4.21Å; F47-R52 HydrophobicContact CD2-CG 4.18Å; F47-R52 PolarHBondContact N-O 3.4Å; F47-R52 PolarHBondContact O-N 3.06Å; F47-R54 HydrophobicContact CE2-CB 4.4Å
48	N	96.5	Very high	97.9	Very high	135 Å²	135	69.2 Å²	69.2	72%	0.722	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	58	-173.9	-162.4	29.8	0	0	0	112.2	T50 E51	N48-T50 PolarHBondContact O-N 3.49Å; N48-E51 PolarHBondContact ND2-OE2 2.9Å
49	G	94.8	Very high	97.9	Very high	31 Å²	31	64.3 Å²	64.3	32%	0.32	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	-124.6	-169.4	0	0	0	0	0	110.9	F46	F46-G49 WeakPolarHBondContact CB-O 3.19Å
50	T	97.4	Very high	97.9	Very high	53 Å²	53	61.2 Å²	61.2	33%	0.325	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	12.5	-178.5	55.8	0	0	0	0	113.7	F46 N48 V53 R109 Y112	F46-T50 HydrophobicContact CD1-CG2 4.15Å; F46-T50 HydrophobicContact CE1-CG2 4.32Å; N48-T50 PolarHBondContact O-N 3.49Å; T50-V53 WeakPolarHBondContact O-CG2 3.48Å; T50-R109 PolarHBondContact O-NE 3Å; T50-R109 VanDerWaalsContact O-NE 3.1Å; T50-Y112 HydrophobicContact CG2-CD1 3.35Å; T50-Y112 HydrophobicContact CG2-CD2 3.89Å; T50-Y112 HydrophobicContact CG2-CE1 3.75Å; T50-Y112 HydrophobicContact CG2-CE2 4.22Å; T50-Y112 HydrophobicContact CG2-CG 3.44Å; T50-Y112 VanDerWaalsContact CG2-CG 3.44Å
51	E	96.3	Very high	98	Very high	145 Å²	145	61.7 Å²	61.7	68%	0.678	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-57.5	178.7	-174.7	-177.7	179	0	0	110.4	N48	N48-E51 PolarHBondContact ND2-OE2 2.9Å
52	R	97.8	Very high	97.8	Very high	149 Å²	149	60.3 Å²	60.3	56%	0.562	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.1	170.2	179.4	178.3	179.9	167.4	0.9	109.7	F47 D72	F47-R52 HydrophobicContact CB-CB 4.21Å; F47-R52 HydrophobicContact CD2-CG 4.18Å; F47-R52 PolarHBondContact N-O 3.4Å; F47-R52 PolarHBondContact O-N 3.06Å; R52-D72 IonicContact NH2-OD2 3.32Å; R52-D72 PolarHBondContact NH2-OD2 3.49Å; R52-D72 VanDerWaalsContact NH2-OD2 3.11Å
53	V	98.6	Very high	97.7	Very high	9 Å²	9	63.4 Å²	63.4	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.8	178.4	-177.5	0	0	0	0	108.5	H45 F46 T50 V104 C108 R109	H45-V53 WeakPolarHBondContact O-CA 3.44Å; F46-V53 HydrophobicContact CD1-CG1 4.22Å; F46-V53 HydrophobicContact CD1-CG2 3.85Å; F46-V53 HydrophobicContact CE1-CG1 4.03Å; F46-V53 HydrophobicContact CE1-CG2 4.13Å; T50-V53 WeakPolarHBondContact O-CG2 3.48Å; V53-V104 HydrophobicContact CB-CG1 3.72Å; V53-V104 HydrophobicContact CG1-CG1 3.84Å; V53-C108 HydrophobicContact CG1-CB 3.53Å; V53-R109 HydrophobicContact CG2-CG 3.95Å
54	R	98.5	Very high	97.6	Very high	76 Å²	76	66.1 Å²	66.1	29%	0.287	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.1	173	-178.8	-177.3	179.9	-164.5	7.5	109.3	H45 F47 L56 D70 S71 D72	H45-R54 HydrophobicContact CB-CB 4.3Å; H45-R54 PolarHBondContact N-O 3.47Å; H45-R54 PolarHBondContact O-N 3.31Å; F47-R54 HydrophobicContact CE2-CB 4.4Å; R54-L56 HydrophobicContact CG-CD2 4.4Å; R54-D70 IonicContact CZ-OD1 3.84Å; R54-D70 IonicContact CZ-OD2 3.57Å; R54-D70 IonicContact NE-OD1 2.64Å; R54-D70 PolarHBondContact NE-OD1 3.13Å; R54-D70 IonicContact NE-OD2 3.62Å; R54-D70 PolarHBondContact NE-OD2 3.14Å; R54-D70 IonicContact NH2-OD1 2.64Å; R54-D70 IonicContact NH2-OD2 3.62Å; R54-D70 PolarHBondContact NH2-OD2 3.18Å; R54-S71 WeakPolarHBondContact CA-OG 3.47Å; R54-D72 IonicContact NE-OD2 3.69Å
55	Y	98.8	Very high	97.6	Very high	1 Å²	1	65.1 Å²	65.1	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.4	176.5	168.4	-90.3	0	0	0	110	F42 E43 H57 F69 S71 R100 E103	F42-Y55 HydrophobicContact CB-CE2 4.44Å; F42-Y55 HydrophobicContact CD1-CE2 4.41Å; F42-Y55 WeakPolarHBondContact CD1-OH 3.39Å; E43-Y55 CarbonylContact O-C 3.53Å; E43-Y55 WeakPolarHBondContact O-CA 3.14Å; Y55-H57 HydrophobicContact CE1-CB 4.05Å; Y55-F69 AromaticContact CD1-CD1 3.72Å; Y55-F69 HydrophobicContact CD1-CD1 3.72Å; Y55-F69 AromaticContact CD1-CE1 3.79Å; Y55-F69 HydrophobicContact CD1-CE1 3.79Å; Y55-F69 AromaticContact CE1-CD1 3.69Å; Y55-F69 HydrophobicContact CE1-CD1 3.69Å; Y55-F69 HydrophobicContact CE1-CE1 4.05Å; Y55-S71 PolarHBondContact N-OG 3.39Å; Y55-S71 PolarHBondContact O-N 2.94Å; Y55-S71 PolarHBondContact O-OG 3.22Å; Y55-R100 VanDerWaalsContact CE1-CD 3.47Å; Y55-R100 HydrophobicContact CE1-CG 3.88Å; Y55-R100 WeakPolarHBondContact OH-CD 3.34Å; Y55-R100 PolarHBondContact OH-NH1 2.81Å; Y55-R100 VanDerWaalsContact OH-NH1 3.12Å; Y55-E103 HydrophobicContact CD1-CB 4.35Å; Y55-E103 HydrophobicContact CD2-CB 4.07Å; Y55-E103 HydrophobicContact CE1-CB 4.25Å; Y55-E103 HydrophobicContact CE2-CB 3.88Å; Y55-E103 WeakPolarHBondContact CE2-OE2 3.41Å; Y55-E103 HydrophobicContact CG-CB 4.26Å; Y55-E103 PolarHBondContact OH-OE2 2.88Å
56	L	98.6	Very high	97.6	Very high	10 Å²	10	62.1 Å²	62.1	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.2	173.3	-58.5	177.8	0	0	0	110.1	F42 E43 R54 R58 F69 D70	F42-L56 CarbonylContact C-O 3.58Å; F42-L56 WeakPolarHBondContact CA-O 3.33Å; E43-L56 HydrophobicContact CB-CB 4.23Å; E43-L56 PolarHBondContact N-O 3.35Å; E43-L56 PolarHBondContact O-N 3.13Å; R54-L56 HydrophobicContact CG-CD2 4.4Å; L56-R58 HydrophobicContact CB-CG 4.4Å; L56-F69 WeakPolarHBondContact CA-O 3.13Å; L56-D70 HydrophobicContact CD2-CB 3.63Å; L56-D70 WeakPolarHBondContact CD2-OD1 3.34Å
57	H	98.5	Very high	97.6	Very high	3 Å²	3	58.7 Å²	58.7	1%	0.014	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.2	160.1	170.4	-131.1	0	0	0	108.9	D40 K41 F42 Y55 R68 F69 Y76 W90	D40-H57 IonicContact OD1-CD2 3.29Å; D40-H57 IonicContact OD1-CE1 3.94Å; D40-H57 PolarHBondContact OD1-CE1 3.46Å; D40-H57 IonicContact OD1-NE2 2.91Å; D40-H57 PolarHBondContact OD1-NE2 3.28Å; K41-H57 CarbonylContact O-C 3.58Å; K41-H57 WeakPolarHBondContact O-CA 3.39Å; F42-H57 HydrophobicContact CD1-CB 3.92Å; F42-H57 AromaticContact CD1-CD2 3.49Å; F42-H57 VanDerWaalsContact CD1-CD2 3.49Å; F42-H57 WeakPolarHBondContact CD1-CD2 3.1Å; F42-H57 AromaticContact CD1-CG 3.84Å; F42-H57 HydrophobicContact CE1-CB 3.99Å; F42-H57 AromaticContact CE1-CD2 3.05Å; F42-H57 WeakPolarHBondContact CE1-CD2 3.37Å; F42-H57 AromaticContact CE1-CG 3.45Å; F42-H57 VanDerWaalsContact CE1-CG 3.45Å; F42-H57 AromaticContact CE1-NE2 3.59Å; F42-H57 AromaticContact CZ-CD2 3.53Å; F42-H57 AromaticContact CZ-NE2 3.66Å; Y55-H57 HydrophobicContact CE1-CB 4.05Å; H57-R68 CarbonylContact O-C 3.57Å; H57-R68 VanDerWaalsContact O-CA 3.24Å; H57-R68 WeakPolarHBondContact O-CA 3.34Å; H57-F69 HydrophobicContact CB-CB 4.22Å; H57-F69 PolarHBondContact N-O 3.44Å; H57-F69 PolarHBondContact O-N 2.98Å; H57-Y76 AromaticContact ND1-CE1 3.32Å; H57-Y76 VanDerWaalsContact ND1-CE1 3.32Å; H57-Y76 WeakPolarHBondContact ND1-CE1 3.26Å; H57-Y76 AromaticContact ND1-CZ 3.53Å; H57-Y76 PolarHBondContact ND1-OH 3.03Å; H57-W90 AromaticContact CE1-CH2 3.85Å; H57-W90 AromaticContact CE1-CZ3 3.71Å
58	R	98.5	Very high	97.6	Very high	57 Å²	57	57.5 Å²	57.5	22%	0.215	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.1	-176.8	-54.4	173.9	65.3	-163.9	0.3	110.1	D40 K41 E43 L56 E65 R68	D40-R58 WeakPolarHBondContact CA-O 3.47Å; K41-R58 HydrophobicContact CB-CB 4.31Å; K41-R58 PolarHBondContact N-O 3.5Å; K41-R58 PolarHBondContact O-N 3.48Å; E43-R58 WeakPolarHBondContact OE1-CD 3.32Å; E43-R58 IonicContact OE1-CZ 2.63Å; E43-R58 IonicContact OE1-NE 3.65Å; E43-R58 IonicContact OE1-NH1 3.87Å; E43-R58 PolarHBondContact OE1-NH1 2.87Å; L56-R58 HydrophobicContact CB-CG 4.4Å; R58-E65 HydrophobicContact CB-CG 4.4Å; R58-E65 WeakPolarHBondContact CB-OE1 3.41Å; R58-E65 VanDerWaalsContact CG-OE1 3.22Å; R58-E65 WeakPolarHBondContact CG-OE1 3.14Å; R58-E65 IonicContact CZ-OE2 3.89Å; R58-E65 VanDerWaalsContact CZ-OE2 3.29Å; R58-E65 IonicContact NE-OE1 2.78Å; R58-E65 PolarHBondContact NE-OE1 2.76Å; R58-E65 IonicContact NE-OE2 2.71Å; R58-E65 PolarHBondContact NE-OE2 3.16Å; R58-E65 IonicContact NH2-OE2 3.15Å; R58-E65 PolarHBondContact NH2-OE2 2.69Å; R58-R68 HydrophobicContact CG-CG 4.29Å
59	G	98.2	Very high	97.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.8	172.5	0	0	0	0	0	110.9	E65 N66 V67	G59-E65 WeakPolarHBondContact O-CA 3.49Å; G59-N66 PolarHBondContact O-N 2.85Å; G59-N66 PolarHBondContact O-OD1 2.68Å; G59-N66 VanDerWaalsContact O-OD1 3.14Å; G59-V67 PolarHBondContact N-O 3.18Å
60	I	98.4	Very high	97.9	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.046	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.8	-171.9	-56.6	165.2	0	0	0	109.8	K38 Q39 K41 E64 E65	K38-I60 WeakPolarHBondContact CD-O 3.34Å; Q39-I60 HydrophobicContact CB-CB 4.24Å; Q39-I60 PolarHBondContact N-O 2.93Å; Q39-I60 PolarHBondContact O-N 3.3Å; K41-I60 HydrophobicContact CD-CD1 3.89Å; K41-I60 HydrophobicContact CG-CD1 4.09Å; I60-E64 CarbonylContact C-O 3.59Å; I60-E64 WeakPolarHBondContact CA-O 3.46Å; I60-E65 HydrophobicContact CG1-CB 4.08Å; I60-E65 HydrophobicContact CG1-CG 4.3Å
61	Y	97.5	Very high	98	Very high	83 Å²	83	49.2 Å²	49.2	33%	0.325	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.6	174.6	-168.5	-101.4	0	0	0	110.4	F36 L37 K38 Q63 E64	F36-Y61 WeakPolarHBondContact CD1-OH 3.42Å; L37-Y61 CarbonylContact O-C 3.59Å; L37-Y61 WeakPolarHBondContact O-CA 3.42Å; K38-Y61 HydrophobicContact CD-CD2 4.32Å; Y61-Q63 PolarHBondContact O-N 3.41Å; Y61-E64 PolarHBondContact N-O 3.32Å; Y61-E64 PolarHBondContact O-N 3.5Å
62	N	94.6	Very high	98.1	Very high	64 Å²	64	46.4 Å²	46.4	34%	0.342	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-47.4	-170.4	-64.2	-29.9	0	0	0	115.7	L37	L37-N62 PolarHBondContact N-OD1 2.88Å; L37-N62 PolarHBondContact O-N 3.43Å
63	Q	96.2	Very high	98.1	Very high	179 Å²	179	43.1 Å²	43.1	84%	0.836	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-175.5	-9.4	174.4	-99.7	152.3	59.8	0	0	111.1	Y61	Y61-Q63 PolarHBondContact O-N 3.41Å
64	E	97.6	Very high	98	Very high	100 Å²	100	43.2 Å²	43.2	47%	0.467	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.2	178.1	-172	-175	144.9	0	0	109.9	I60 Y61 N66 T80	I60-E64 CarbonylContact C-O 3.59Å; I60-E64 WeakPolarHBondContact CA-O 3.46Å; Y61-E64 PolarHBondContact N-O 3.32Å; Y61-E64 PolarHBondContact O-N 3.5Å; E64-N66 PolarHBondContact O-N 2.54Å; E64-T80 HydrophobicContact CG-CG2 3.94Å; E64-T80 WeakPolarHBondContact OE1-CB 3.32Å; E64-T80 WeakPolarHBondContact OE1-CG2 3.16Å; E64-T80 PolarHBondContact OE1-OG1 3.42Å
65	E	98.3	Very high	98	Very high	20 Å²	20	42.3 Å²	42.3	9%	0.093	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	118.7	168.5	-177	178.1	-171.5	0	0	109.5	R58 G59 I60 R68 V79	R58-E65 HydrophobicContact CB-CG 4.4Å; R58-E65 WeakPolarHBondContact CB-OE1 3.41Å; R58-E65 VanDerWaalsContact CG-OE1 3.22Å; R58-E65 WeakPolarHBondContact CG-OE1 3.14Å; R58-E65 IonicContact CZ-OE2 3.89Å; R58-E65 VanDerWaalsContact CZ-OE2 3.29Å; R58-E65 IonicContact NE-OE1 2.78Å; R58-E65 PolarHBondContact NE-OE1 2.76Å; R58-E65 IonicContact NE-OE2 2.71Å; R58-E65 PolarHBondContact NE-OE2 3.16Å; R58-E65 IonicContact NH2-OE2 3.15Å; R58-E65 PolarHBondContact NH2-OE2 2.69Å; G59-E65 WeakPolarHBondContact O-CA 3.49Å; I60-E65 HydrophobicContact CG1-CB 4.08Å; I60-E65 HydrophobicContact CG1-CG 4.3Å; E65-R68 IonicContact OE1-CZ 3.96Å; E65-R68 VanDerWaalsContact OE1-CZ 3.27Å; E65-R68 IonicContact OE1-NE 3.46Å; E65-R68 PolarHBondContact OE1-NE 3.48Å; E65-R68 IonicContact OE1-NH2 2.75Å; E65-R68 PolarHBondContact OE1-NH2 3.03Å; E65-R68 IonicContact OE2-CZ 3.32Å; E65-R68 IonicContact OE2-NE 3.72Å; E65-R68 IonicContact OE2-NH2 3.52Å; E65-R68 PolarHBondContact OE2-NH2 2.88Å; E65-V79 HydrophobicContact CG-CB 4.37Å; E65-V79 HydrophobicContact CG-CG1 4.44Å; E65-V79 HydrophobicContact CG-CG2 4.1Å; E65-V79 WeakPolarHBondContact O-CB 3.38Å; E65-V79 WeakPolarHBondContact O-CG1 3.41Å
66	N	97.8	Very high	98	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.043	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-29.3	-175.2	55.9	35.9	0	0	0	113.2	G59 E64 V79 T80 L82 G83	G59-N66 PolarHBondContact O-N 2.85Å; G59-N66 PolarHBondContact O-OD1 2.68Å; G59-N66 VanDerWaalsContact O-OD1 3.14Å; E64-N66 PolarHBondContact O-N 2.54Å; N66-V79 PolarHBondContact O-N 3.36Å; N66-T80 PolarHBondContact O-N 2.89Å; N66-L82 HydrophobicContact CB-CB 4.13Å; N66-L82 HydrophobicContact CB-CD2 4.31Å; N66-L82 HydrophobicContact CB-CG 4.35Å; N66-G83 WeakPolarHBondContact O-CA 3.27Å
67	V	98.5	Very high	98	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144.1	-179.5	73.4	0	0	0	0	110.6	G59 Y76 R77 V86 A87 W90	G59-V67 PolarHBondContact N-O 3.18Å; V67-Y76 HydrophobicContact CG2-CD1 3.97Å; V67-R77 WeakPolarHBondContact CA-O 3.2Å; V67-V86 HydrophobicContact CG1-CG1 4.09Å; V67-V86 HydrophobicContact CG2-CG1 4.39Å; V67-A87 HydrophobicContact CG2-CB 3.98Å; V67-W90 HydrophobicContact CG1-CH2 4.29Å; V67-W90 HydrophobicContact CG1-CZ3 3.8Å
68	R	98.7	Very high	98	Very high	76 Å²	76	50.9 Å²	50.9	29%	0.287	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.6	179.2	-176.6	-176.5	-60.3	172.2	3.5	111.6	H57 R58 E65 Y76 R77 V79	H57-R68 CarbonylContact O-C 3.57Å; H57-R68 VanDerWaalsContact O-CA 3.24Å; H57-R68 WeakPolarHBondContact O-CA 3.34Å; R58-R68 HydrophobicContact CG-CG 4.29Å; E65-R68 IonicContact OE1-CZ 3.96Å; E65-R68 VanDerWaalsContact OE1-CZ 3.27Å; E65-R68 IonicContact OE1-NE 3.46Å; E65-R68 PolarHBondContact OE1-NE 3.48Å; E65-R68 IonicContact OE1-NH2 2.75Å; E65-R68 PolarHBondContact OE1-NH2 3.03Å; E65-R68 IonicContact OE2-CZ 3.32Å; E65-R68 IonicContact OE2-NE 3.72Å; E65-R68 IonicContact OE2-NH2 3.52Å; E65-R68 PolarHBondContact OE2-NH2 2.88Å; R68-Y76 CarbonylContact O-C 3.51Å; R68-Y76 VanDerWaalsContact O-CA 3.29Å; R68-Y76 WeakPolarHBondContact O-CA 3.35Å; R68-R77 PolarHBondContact N-O 3.29Å; R68-R77 PolarHBondContact O-N 2.97Å; R68-V79 HydrophobicContact CB-CG2 3.79Å
69	F	98.8	Very high	98	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.8	156.7	178.1	-85.7	0	0	0	109.1	Y55 L56 H57 Y76 L97 R100 R101	Y55-F69 AromaticContact CD1-CD1 3.72Å; Y55-F69 HydrophobicContact CD1-CD1 3.72Å; Y55-F69 AromaticContact CD1-CE1 3.79Å; Y55-F69 HydrophobicContact CD1-CE1 3.79Å; Y55-F69 AromaticContact CE1-CD1 3.69Å; Y55-F69 HydrophobicContact CE1-CD1 3.69Å; Y55-F69 HydrophobicContact CE1-CE1 4.05Å; L56-F69 WeakPolarHBondContact CA-O 3.13Å; H57-F69 HydrophobicContact CB-CB 4.22Å; H57-F69 PolarHBondContact N-O 3.44Å; H57-F69 PolarHBondContact O-N 2.98Å; F69-Y76 HydrophobicContact CB-CD1 3.59Å; F69-Y76 HydrophobicContact CB-CD2 4.19Å; F69-Y76 HydrophobicContact CB-CE1 3.39Å; F69-Y76 HydrophobicContact CB-CE2 3.99Å; F69-Y76 HydrophobicContact CB-CG 4.01Å; F69-Y76 HydrophobicContact CD2-CD2 4.01Å; F69-Y76 AromaticContact CD2-CE2 3.99Å; F69-Y76 HydrophobicContact CD2-CE2 3.99Å; F69-Y76 HydrophobicContact CD2-CG 4.45Å; F69-Y76 HydrophobicContact CG-CE2 4.37Å; F69-L97 HydrophobicContact CD2-CD1 4.2Å; F69-L97 HydrophobicContact CE2-CD1 3.99Å; F69-R100 HydrophobicContact CB-CG 4.09Å; F69-R100 HydrophobicContact CD1-CG 3.47Å; F69-R100 VanDerWaalsContact CD1-CG 3.47Å; F69-R100 HydrophobicContact CD2-CB 4.14Å; F69-R100 HydrophobicContact CD2-CG 3.59Å; F69-R100 HydrophobicContact CE1-CB 4.33Å; F69-R100 HydrophobicContact CE1-CG 3.66Å; F69-R100 HydrophobicContact CE2-CB 3.93Å; F69-R100 HydrophobicContact CE2-CG 3.78Å; F69-R100 HydrophobicContact CG-CB 4.44Å; F69-R100 HydrophobicContact CG-CG 3.43Å; F69-R100 VanDerWaalsContact CG-CG 3.43Å; F69-R100 HydrophobicContact CZ-CB 4.03Å; F69-R100 HydrophobicContact CZ-CG 3.82Å; F69-R101 HydrophobicContact CE2-CG 4.21Å; F69-R101 HydrophobicContact CZ-CB 4.47Å; F69-R101 HydrophobicContact CZ-CG 3.85Å
70	D	98.7	Very high	98	Very high	18 Å²	18	53.4 Å²	53.4	10%	0.096	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.1	175.5	-173.3	-15.1	0	0	0	108.9	R54 L56 D72 V73 G74	R54-D70 IonicContact CZ-OD1 3.84Å; R54-D70 IonicContact CZ-OD2 3.57Å; R54-D70 IonicContact NE-OD1 2.64Å; R54-D70 PolarHBondContact NE-OD1 3.13Å; R54-D70 IonicContact NE-OD2 3.62Å; R54-D70 PolarHBondContact NE-OD2 3.14Å; R54-D70 IonicContact NH2-OD1 2.64Å; R54-D70 IonicContact NH2-OD2 3.62Å; R54-D70 PolarHBondContact NH2-OD2 3.18Å; L56-D70 HydrophobicContact CD2-CB 3.63Å; L56-D70 WeakPolarHBondContact CD2-OD1 3.34Å; D70-D72 PolarHBondContact O-N 3.28Å; D70-D72 PolarHBondContact OD1-N 3.32Å; D70-D72 VanDerWaalsContact OD1-N 3.08Å; D70-V73 HydrophobicContact CB-CB 4.2Å; D70-V73 HydrophobicContact CB-CG2 3.95Å; D70-V73 CarbonylContact O-C 3.57Å; D70-V73 PolarHBondContact O-N 3.06Å; D70-G74 PolarHBondContact O-N 2.95Å
71	S	98.5	Very high	97.9	Very high	27 Å²	27	59.1 Å²	59.1	19%	0.189	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.4	-179.6	60.9	0	0	0	0	113	R54 Y55 V73 V104	R54-S71 WeakPolarHBondContact CA-OG 3.47Å; Y55-S71 PolarHBondContact N-OG 3.39Å; Y55-S71 PolarHBondContact O-N 2.94Å; Y55-S71 PolarHBondContact O-OG 3.22Å; S71-V73 PolarHBondContact O-N 3.05Å; S71-V104 VanDerWaalsContact CB-CG2 3.5Å
72	D	98.1	Very high	97.8	Very high	85 Å²	85	59.8 Å²	59.8	46%	0.455	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.8	177.6	-71.8	7.7	0	0	0	111.3	R52 R54 D70	R52-D72 IonicContact NH2-OD2 3.32Å; R52-D72 PolarHBondContact NH2-OD2 3.49Å; R52-D72 VanDerWaalsContact NH2-OD2 3.11Å; R54-D72 IonicContact NE-OD2 3.69Å; D70-D72 PolarHBondContact O-N 3.28Å; D70-D72 PolarHBondContact OD1-N 3.32Å; D70-D72 VanDerWaalsContact OD1-N 3.08Å
73	V	98.3	Very high	98	Very high	80 Å²	80	56.7 Å²	56.7	49%	0.485	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-35.5	176	-176.4	0	0	0	0	111.5	D70 S71 E75	D70-V73 HydrophobicContact CB-CB 4.2Å; D70-V73 HydrophobicContact CB-CG2 3.95Å; D70-V73 CarbonylContact O-C 3.57Å; D70-V73 PolarHBondContact O-N 3.06Å; S71-V73 PolarHBondContact O-N 3.05Å; V73-E75 HydrophobicContact CG1-CG 4.05Å
74	G	97.8	Very high	98.1	Very high	11 Å²	11	53.9 Å²	53.9	11%	0.113	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	9.2	177.6	0	0	0	0	0	115.1	D70 R101	D70-G74 PolarHBondContact O-N 2.95Å; G74-R101 VanDerWaalsContact O-CZ 3.26Å; G74-R101 PolarHBondContact O-NE 2.82Å; G74-R101 PolarHBondContact O-NH2 3.09Å
75	E	98.4	Very high	98.1	Very high	58 Å²	58	53 Å²	53	27%	0.271	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	168.9	177.3	63.6	179.2	-166	0	0	113.2	V73 R77 L97	V73-E75 HydrophobicContact CG1-CG 4.05Å; E75-R77 IonicContact OE1-CZ 3.85Å; E75-R77 IonicContact OE1-NE 2.8Å; E75-R77 PolarHBondContact OE1-NE 2.96Å; E75-R77 IonicContact OE1-NH2 2.93Å; E75-R77 PolarHBondContact OE1-NH2 3.1Å; E75-L97 HydrophobicContact CB-CD1 4.27Å; E75-L97 HydrophobicContact CB-CD2 4.42Å
76	Y	98.6	Very high	98	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.5	172.8	-75	-85.8	0	0	0	111.4	H57 V67 R68 F69 W90 N91 F96 L97 R100	H57-Y76 AromaticContact ND1-CE1 3.32Å; H57-Y76 VanDerWaalsContact ND1-CE1 3.32Å; H57-Y76 WeakPolarHBondContact ND1-CE1 3.26Å; H57-Y76 AromaticContact ND1-CZ 3.53Å; H57-Y76 PolarHBondContact ND1-OH 3.03Å; V67-Y76 HydrophobicContact CG2-CD1 3.97Å; R68-Y76 CarbonylContact O-C 3.51Å; R68-Y76 VanDerWaalsContact O-CA 3.29Å; R68-Y76 WeakPolarHBondContact O-CA 3.35Å; F69-Y76 HydrophobicContact CB-CD1 3.59Å; F69-Y76 HydrophobicContact CB-CD2 4.19Å; F69-Y76 HydrophobicContact CB-CE1 3.39Å; F69-Y76 HydrophobicContact CB-CE2 3.99Å; F69-Y76 HydrophobicContact CB-CG 4.01Å; F69-Y76 HydrophobicContact CD2-CD2 4.01Å; F69-Y76 AromaticContact CD2-CE2 3.99Å; F69-Y76 HydrophobicContact CD2-CE2 3.99Å; F69-Y76 HydrophobicContact CD2-CG 4.45Å; F69-Y76 HydrophobicContact CG-CE2 4.37Å; Y76-W90 AromaticContact CD1-CE3 3.47Å; Y76-W90 HydrophobicContact CD1-CE3 3.47Å; Y76-W90 VanDerWaalsContact CD1-CE3 3.47Å; Y76-W90 AromaticContact CD1-CZ3 3.83Å; Y76-W90 HydrophobicContact CD1-CZ3 3.83Å; Y76-W90 HydrophobicContact CD2-CB 3.86Å; Y76-W90 HydrophobicContact CD2-CE3 4Å; Y76-W90 HydrophobicContact CE1-CD2 4.5Å; Y76-W90 AromaticContact CE1-CE3 3.24Å; Y76-W90 HydrophobicContact CE1-CE3 3.24Å; Y76-W90 AromaticContact CE1-CZ3 3.33Å; Y76-W90 HydrophobicContact CE1-CZ3 3.33Å; Y76-W90 HydrophobicContact CE2-CB 4.2Å; Y76-W90 HydrophobicContact CE2-CD2 4.49Å; Y76-W90 AromaticContact CE2-CE3 3.82Å; Y76-W90 HydrophobicContact CE2-CE3 3.82Å; Y76-W90 HydrophobicContact CG-CB 4.32Å; Y76-W90 AromaticContact CG-CE3 3.82Å; Y76-W90 HydrophobicContact CG-CE3 3.82Å; Y76-W90 AromaticContact CZ-CE3 3.41Å; Y76-W90 VanDerWaalsContact CZ-CE3 3.41Å; Y76-W90 AromaticContact CZ-CZ3 3.75Å; Y76-N91 WeakPolarHBondContact CB-OD1 3.12Å; Y76-N91 PolarHBondContact N-OD1 3.48Å; Y76-N91 PolarHBondContact O-ND2 3.03Å; Y76-F96 HydrophobicContact CD2-CE1 4.36Å; Y76-F96 HydrophobicContact CE2-CD1 4.14Å; Y76-F96 AromaticContact CE2-CE1 3.44Å; Y76-F96 HydrophobicContact CE2-CE1 3.44Å; Y76-F96 VanDerWaalsContact CE2-CE1 3.44Å; Y76-F96 HydrophobicContact CE2-CZ 4.25Å; Y76-F96 AromaticContact CZ-CE1 3.85Å; Y76-L97 HydrophobicContact CD2-CD1 4.06Å; Y76-L97 HydrophobicContact CE2-CD1 4.5Å; Y76-R100 HydrophobicContact CE2-CG 4.28Å; Y76-R100 PolarHBondContact OH-NE 3.3Å; Y76-R100 PolarHBondContact OH-NH2 2.91Å; Y76-R100 VanDerWaalsContact OH-NH2 3.13Å
77	R	98.6	Very high	98	Very high	149 Å²	149	54 Å²	54	56%	0.562	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.3	170.5	-67.7	-63.8	-176.8	120.2	-5.8	109.8	V67 R68 E75 V79	V67-R77 WeakPolarHBondContact CA-O 3.2Å; R68-R77 PolarHBondContact N-O 3.29Å; R68-R77 PolarHBondContact O-N 2.97Å; E75-R77 IonicContact OE1-CZ 3.85Å; E75-R77 IonicContact OE1-NE 2.8Å; E75-R77 PolarHBondContact OE1-NE 2.96Å; E75-R77 IonicContact OE1-NH2 2.93Å; E75-R77 PolarHBondContact OE1-NH2 3.1Å; R77-V79 PolarHBondContact O-N 3.47Å
78	A	98.2	Very high	97.9	Very high	43 Å²	43	60 Å²	60	36%	0.355	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.2	167.7	0	0	0	0	0	108.6	R84 A87	A78-R84 HydrophobicContact CB-CB 4.3Å; A78-A87 HydrophobicContact CB-CB 4.41Å
79	V	98.3	Very high	97.9	Very high	71 Å²	71	59 Å²	59	43%	0.43	31%	0.314	S	S	.	.	S	Bend	trans	-87	-32.8	172.3	179.9	0	0	0	0	109.5	E65 N66 R68 R77	E65-V79 HydrophobicContact CG-CB 4.37Å; E65-V79 HydrophobicContact CG-CG1 4.44Å; E65-V79 HydrophobicContact CG-CG2 4.1Å; E65-V79 WeakPolarHBondContact O-CB 3.38Å; E65-V79 WeakPolarHBondContact O-CG1 3.41Å; N66-V79 PolarHBondContact O-N 3.36Å; R68-V79 HydrophobicContact CB-CG2 3.79Å; R77-V79 PolarHBondContact O-N 3.47Å
80	T	97.9	Very high	97.8	Very high	40 Å²	40	61.9 Å²	61.9	25%	0.245	33%	0.325	C	S	.	.	S	Bend	trans	-134.3	166.8	171.4	71.5	0	0	0	0	110.7	E64 N66 L82 G83	E64-T80 HydrophobicContact CG-CG2 3.94Å; E64-T80 WeakPolarHBondContact OE1-CB 3.32Å; E64-T80 WeakPolarHBondContact OE1-CG2 3.16Å; E64-T80 PolarHBondContact OE1-OG1 3.42Å; N66-T80 PolarHBondContact O-N 2.89Å; T80-L82 PolarHBondContact O-N 3.42Å; T80-L82 VanDerWaalsContact O-N 3.15Å; T80-G83 PolarHBondContact O-N 2.96Å
81	E	97	Very high	97.8	Very high	129 Å²	129	63 Å²	63	60%	0.603	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-56.4	-32.6	-177.5	-70	-57.9	142.3	0	0	113.2	G83 R84	E81-G83 PolarHBondContact O-N 3.38Å; E81-R84 VanDerWaalsContact CD-NH2 3.28Å; E81-R84 WeakPolarHBondContact O-CB 3.44Å; E81-R84 PolarHBondContact O-N 2.89Å; E81-R84 VanDerWaalsContact O-N 3.13Å; E81-R84 IonicContact OE1-CZ 2.73Å; E81-R84 IonicContact OE1-NH2 3.92Å; E81-R84 PolarHBondContact OE1-NH2 2.98Å; E81-R84 IonicContact OE2-CZ 3.4Å; E81-R84 VanDerWaalsContact OE2-CZ 3.29Å; E81-R84 IonicContact OE2-NE 3.64Å; E81-R84 PolarHBondContact OE2-NE 2.97Å; E81-R84 IonicContact OE2-NH2 3.31Å; E81-R84 PolarHBondContact OE2-NH2 3.46Å
82	L	95.8	Very high	97.8	Very high	96 Å²	96	66 Å²	66	50%	0.503	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-58.6	-30.2	176.8	-176.8	63.3	0	0	0	112.6	N66 T80	N66-L82 HydrophobicContact CB-CB 4.13Å; N66-L82 HydrophobicContact CB-CD2 4.31Å; N66-L82 HydrophobicContact CB-CG 4.35Å; T80-L82 PolarHBondContact O-N 3.42Å; T80-L82 VanDerWaalsContact O-N 3.15Å
83	G	97.6	Very high	97.8	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-88.5	-8.1	-179.6	0	0	0	0	0	115	N66 T80 E81 V86 A87	N66-G83 WeakPolarHBondContact O-CA 3.27Å; T80-G83 PolarHBondContact O-N 2.96Å; E81-G83 PolarHBondContact O-N 3.38Å; G83-V86 WeakPolarHBondContact O-CB 3.37Å; G83-V86 PolarHBondContact O-N 3.3Å; G83-V86 VanDerWaalsContact O-N 3.14Å; G83-A87 PolarHBondContact O-N 3.48Å
84	R	98.1	Very high	97.7	Very high	119 Å²	119	70.5 Å²	70.5	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-52.9	-55.3	179	-175.5	-175.4	-62.4	-85.5	-0	113.2	A78 E81 V86 A87 E88	A78-R84 HydrophobicContact CB-CB 4.3Å; E81-R84 VanDerWaalsContact CD-NH2 3.28Å; E81-R84 WeakPolarHBondContact O-CB 3.44Å; E81-R84 PolarHBondContact O-N 2.89Å; E81-R84 VanDerWaalsContact O-N 3.13Å; E81-R84 IonicContact OE1-CZ 2.73Å; E81-R84 IonicContact OE1-NH2 3.92Å; E81-R84 PolarHBondContact OE1-NH2 2.98Å; E81-R84 IonicContact OE2-CZ 3.4Å; E81-R84 VanDerWaalsContact OE2-CZ 3.29Å; E81-R84 IonicContact OE2-NE 3.64Å; E81-R84 PolarHBondContact OE2-NE 2.97Å; E81-R84 IonicContact OE2-NH2 3.31Å; E81-R84 PolarHBondContact OE2-NH2 3.46Å; R84-V86 PolarHBondContact O-N 2.93Å; R84-A87 PolarHBondContact O-N 3.03Å; R84-E88 WeakPolarHBondContact CG-OE1 3.31Å; R84-E88 WeakPolarHBondContact O-CG 3Å; R84-E88 PolarHBondContact O-N 3.45Å; R84-E88 VanDerWaalsContact O-N 3.11Å
85	P	97.8	Very high	97.7	Very high	81 Å²	81	76.4 Å²	76.4	53%	0.526	39%	0.391	S	S	.	.	H	α-helix	trans	-64.1	-29.1	179.1	25.5	-35.3	0	0	0	112.7	S89	P85-S89 VanDerWaalsContact O-CB 3.23Å; P85-S89 WeakPolarHBondContact O-CB 3.29Å; P85-S89 PolarHBondContact O-N 3.32Å; P85-S89 VanDerWaalsContact O-N 3.09Å
86	V	96.4	Very high	97.6	Very high	44 Å²	44	75.9 Å²	75.9	27%	0.267	39%	0.388	S	S	.	.	H	α-helix	trans	-70.9	-47.3	178.7	-176.2	0	0	0	0	110.6	V67 G83 R84 S89 W90	V67-V86 HydrophobicContact CG1-CG1 4.09Å; V67-V86 HydrophobicContact CG2-CG1 4.39Å; G83-V86 WeakPolarHBondContact O-CB 3.37Å; G83-V86 PolarHBondContact O-N 3.3Å; G83-V86 VanDerWaalsContact O-N 3.14Å; R84-V86 PolarHBondContact O-N 2.93Å; V86-S89 PolarHBondContact O-N 2.91Å; V86-W90 HydrophobicContact CG1-CD2 3.64Å; V86-W90 HydrophobicContact CG1-CE3 3.8Å; V86-W90 HydrophobicContact CG1-CG 4.31Å; V86-W90 HydrophobicContact CG1-CH2 3.84Å; V86-W90 HydrophobicContact CG1-CZ2 3.64Å; V86-W90 HydrophobicContact CG1-CZ3 3.9Å; V86-W90 WeakPolarHBondContact O-CB 3Å; V86-W90 PolarHBondContact O-N 3.17Å
87	A	98.1	Very high	97.6	Very high	7 Å²	7	76.4 Å²	76.4	6%	0.058	39%	0.391	C	S	.	.	H	α-helix	trans	-60.6	-46.9	178.2	0	0	0	0	0	111.5	V67 A78 G83 R84 W90 N91	V67-A87 HydrophobicContact CG2-CB 3.98Å; A78-A87 HydrophobicContact CB-CB 4.41Å; G83-A87 PolarHBondContact O-N 3.48Å; R84-A87 PolarHBondContact O-N 3.03Å; A87-W90 PolarHBondContact O-N 3.39Å; A87-N91 VanDerWaalsContact O-CB 3.27Å; A87-N91 WeakPolarHBondContact O-CB 3.35Å; A87-N91 PolarHBondContact O-N 3.01Å; A87-N91 PolarHBondContact O-ND2 2.97Å
88	E	97.6	Very high	97.6	Very high	124 Å²	124	74.2 Å²	74.2	58%	0.579	39%	0.387	S	S	*	.	H	α-helix	trans	-60.1	-48.4	177.5	-71.1	171.2	-169.7	0	0	111.6	R84 S92	R84-E88 WeakPolarHBondContact CG-OE1 3.31Å; R84-E88 WeakPolarHBondContact O-CG 3Å; R84-E88 PolarHBondContact O-N 3.45Å; R84-E88 VanDerWaalsContact O-N 3.11Å; E88-S92 WeakPolarHBondContact O-CB 3.45Å; E88-S92 PolarHBondContact O-N 3.26Å; E88-S92 VanDerWaalsContact O-N 3.07Å
89	S	97.5	Very high	97.6	Very high	57 Å²	57	80 Å²	80	40%	0.399	40%	0.399	S	S	.	.	H	α-helix	trans	-61	-46.7	178.5	178.6	0	0	0	0	112.4	P85 V86 S92 Q93	P85-S89 VanDerWaalsContact O-CB 3.23Å; P85-S89 WeakPolarHBondContact O-CB 3.29Å; P85-S89 PolarHBondContact O-N 3.32Å; P85-S89 VanDerWaalsContact O-N 3.09Å; V86-S89 PolarHBondContact O-N 2.91Å; S89-S92 PolarHBondContact O-N 3.23Å; S89-S92 PolarHBondContact O-OG 3.15Å; S89-Q93 PolarHBondContact O-NE2 3.46Å
90	W	97.8	Very high	97.5	Very high	60 Å²	60	77.9 Å²	77.9	23%	0.227	38%	0.383	C	S	.	.	H	α-helix	trans	-70.9	-37.8	-178.2	-71.7	-2.1	0	0	0	112.9	H57 V67 Y76 V86 A87 S92 Q93 F96	H57-W90 AromaticContact CE1-CH2 3.85Å; H57-W90 AromaticContact CE1-CZ3 3.71Å; V67-W90 HydrophobicContact CG1-CH2 4.29Å; V67-W90 HydrophobicContact CG1-CZ3 3.8Å; Y76-W90 AromaticContact CD1-CE3 3.47Å; Y76-W90 HydrophobicContact CD1-CE3 3.47Å; Y76-W90 VanDerWaalsContact CD1-CE3 3.47Å; Y76-W90 AromaticContact CD1-CZ3 3.83Å; Y76-W90 HydrophobicContact CD1-CZ3 3.83Å; Y76-W90 HydrophobicContact CD2-CB 3.86Å; Y76-W90 HydrophobicContact CD2-CE3 4Å; Y76-W90 HydrophobicContact CE1-CD2 4.5Å; Y76-W90 AromaticContact CE1-CE3 3.24Å; Y76-W90 HydrophobicContact CE1-CE3 3.24Å; Y76-W90 AromaticContact CE1-CZ3 3.33Å; Y76-W90 HydrophobicContact CE1-CZ3 3.33Å; Y76-W90 HydrophobicContact CE2-CB 4.2Å; Y76-W90 HydrophobicContact CE2-CD2 4.49Å; Y76-W90 AromaticContact CE2-CE3 3.82Å; Y76-W90 HydrophobicContact CE2-CE3 3.82Å; Y76-W90 HydrophobicContact CG-CB 4.32Å; Y76-W90 AromaticContact CG-CE3 3.82Å; Y76-W90 HydrophobicContact CG-CE3 3.82Å; Y76-W90 AromaticContact CZ-CE3 3.41Å; Y76-W90 VanDerWaalsContact CZ-CE3 3.41Å; Y76-W90 AromaticContact CZ-CZ3 3.75Å; V86-W90 HydrophobicContact CG1-CD2 3.64Å; V86-W90 HydrophobicContact CG1-CE3 3.8Å; V86-W90 HydrophobicContact CG1-CG 4.31Å; V86-W90 HydrophobicContact CG1-CH2 3.84Å; V86-W90 HydrophobicContact CG1-CZ2 3.64Å; V86-W90 HydrophobicContact CG1-CZ3 3.9Å; V86-W90 WeakPolarHBondContact O-CB 3Å; V86-W90 PolarHBondContact O-N 3.17Å; A87-W90 PolarHBondContact O-N 3.39Å; W90-S92 VanDerWaalsContact C-N 3.28Å; W90-S92 PolarHBondContact O-N 3.3Å; W90-Q93 PolarHBondContact O-N 3.44Å; W90-F96 HydrophobicContact CB-CD1 4.07Å; W90-F96 HydrophobicContact CB-CE1 3.81Å; W90-F96 AromaticContact CD2-CE1 3.88Å; W90-F96 HydrophobicContact CD2-CE1 3.88Å; W90-F96 HydrophobicContact CD2-CZ 4.34Å; W90-F96 HydrophobicContact CE3-CE1 4.21Å; W90-F96 HydrophobicContact CG-CD1 4.32Å; W90-F96 AromaticContact CG-CE1 3.73Å; W90-F96 HydrophobicContact CG-CE1 3.73Å
91	N	98.4	Very high	97.6	Very high	42 Å²	42	80.5 Å²	80.5	23%	0.225	39%	0.389	C	S	.	.	H	α-helix	trans	-69.2	-26.8	176	-70.5	-19.4	0	0	0	112.7	Y76 A87 Q93 L97	Y76-N91 WeakPolarHBondContact CB-OD1 3.12Å; Y76-N91 PolarHBondContact N-OD1 3.48Å; Y76-N91 PolarHBondContact O-ND2 3.03Å; A87-N91 VanDerWaalsContact O-CB 3.27Å; A87-N91 WeakPolarHBondContact O-CB 3.35Å; A87-N91 PolarHBondContact O-N 3.01Å; A87-N91 PolarHBondContact O-ND2 2.97Å; N91-Q93 PolarHBondContact O-N 3Å; N91-L97 WeakPolarHBondContact OD1-CD1 3.35Å
92	S	97.8	Very high	97.6	Very high	89 Å²	89	76.3 Å²	76.3	62%	0.622	38%	0.376	S	S	*	.	H	α-helix	trans	-68.6	-21.9	175.5	78.1	0	0	0	0	113.4	E88 S89 W90 K94	E88-S92 WeakPolarHBondContact O-CB 3.45Å; E88-S92 PolarHBondContact O-N 3.26Å; E88-S92 VanDerWaalsContact O-N 3.07Å; S89-S92 PolarHBondContact O-N 3.23Å; S89-S92 PolarHBondContact O-OG 3.15Å; W90-S92 VanDerWaalsContact C-N 3.28Å; W90-S92 PolarHBondContact O-N 3.3Å; S92-K94 PolarHBondContact O-N 3.01Å
93	Q	97.9	Very high	97.8	Very high	94 Å²	94	72.6 Å²	72.6	44%	0.439	36%	0.356	S	S	.	.			trans	-91.6	91.2	-178.9	-67.1	173.4	65.4	0	0	110.5	S89 W90 N91 D95 F96 L97	S89-Q93 PolarHBondContact O-NE2 3.46Å; W90-Q93 PolarHBondContact O-N 3.44Å; N91-Q93 PolarHBondContact O-N 3Å; Q93-D95 PolarHBondContact O-N 2.78Å; Q93-F96 HydrophobicContact CB-CB 3.89Å; Q93-F96 WeakPolarHBondContact O-CB 3.35Å; Q93-F96 PolarHBondContact O-N 2.77Å; Q93-F96 VanDerWaalsContact O-N 3.11Å; Q93-L97 PolarHBondContact O-N 2.89Å
94	K	96.6	Very high	97.8	Very high	165 Å²	165	73.4 Å²	73.4	72%	0.717	36%	0.361	S	S	*	.	H	α-helix	trans	-53.1	-49.2	-174.7	-69.9	-174.5	177.3	-178.6	0	113.6	S92 F96 L97 E98	S92-K94 PolarHBondContact O-N 3.01Å; K94-F96 PolarHBondContact O-N 3.27Å; K94-L97 PolarHBondContact O-N 2.91Å; K94-L97 VanDerWaalsContact O-N 3.15Å; K94-E98 WeakPolarHBondContact O-CG 3.25Å; K94-E98 PolarHBondContact O-N 2.82Å
95	D	97.5	Very high	97.8	Very high	135 Å²	135	72 Å²	72	72%	0.722	36%	0.363	S	S	*	.	H	α-helix	trans	-62.6	-34	-177.7	-59.7	-15.5	0	0	0	112.3	Q93 R99	Q93-D95 PolarHBondContact O-N 2.78Å; D95-R99 WeakPolarHBondContact O-CB 3.35Å; D95-R99 PolarHBondContact O-N 3.43Å; D95-R99 VanDerWaalsContact O-N 3.09Å
96	F	97	Very high	97.9	Very high	48 Å²	48	72.2 Å²	72.2	21%	0.211	36%	0.363	C	S	.	.	H	α-helix	trans	-69.8	-43.7	176.1	-179.9	-107.5	0	0	0	111.4	Y76 W90 Q93 K94 R99 R100	Y76-F96 HydrophobicContact CD2-CE1 4.36Å; Y76-F96 HydrophobicContact CE2-CD1 4.14Å; Y76-F96 AromaticContact CE2-CE1 3.44Å; Y76-F96 HydrophobicContact CE2-CE1 3.44Å; Y76-F96 VanDerWaalsContact CE2-CE1 3.44Å; Y76-F96 HydrophobicContact CE2-CZ 4.25Å; Y76-F96 AromaticContact CZ-CE1 3.85Å; W90-F96 HydrophobicContact CB-CD1 4.07Å; W90-F96 HydrophobicContact CB-CE1 3.81Å; W90-F96 AromaticContact CD2-CE1 3.88Å; W90-F96 HydrophobicContact CD2-CE1 3.88Å; W90-F96 HydrophobicContact CD2-CZ 4.34Å; W90-F96 HydrophobicContact CE3-CE1 4.21Å; W90-F96 HydrophobicContact CG-CD1 4.32Å; W90-F96 AromaticContact CG-CE1 3.73Å; W90-F96 HydrophobicContact CG-CE1 3.73Å; Q93-F96 HydrophobicContact CB-CB 3.89Å; Q93-F96 WeakPolarHBondContact O-CB 3.35Å; Q93-F96 PolarHBondContact O-N 2.77Å; Q93-F96 VanDerWaalsContact O-N 3.11Å; K94-F96 PolarHBondContact O-N 3.27Å; F96-R99 PolarHBondContact O-N 3.33Å; F96-R100 PolarHBondContact O-N 2.98Å
97	L	97.9	Very high	97.9	Very high	12 Å²	12	72.4 Å²	72.4	6%	0.063	36%	0.363	C	S	.	.	H	α-helix	trans	-66.1	-44.2	178.9	-161.4	64.5	0	0	0	112.2	F69 E75 Y76 N91 Q93 K94 R100 R101	F69-L97 HydrophobicContact CD2-CD1 4.2Å; F69-L97 HydrophobicContact CE2-CD1 3.99Å; E75-L97 HydrophobicContact CB-CD1 4.27Å; E75-L97 HydrophobicContact CB-CD2 4.42Å; Y76-L97 HydrophobicContact CD2-CD1 4.06Å; Y76-L97 HydrophobicContact CE2-CD1 4.5Å; N91-L97 WeakPolarHBondContact OD1-CD1 3.35Å; Q93-L97 PolarHBondContact O-N 2.89Å; K94-L97 PolarHBondContact O-N 2.91Å; K94-L97 VanDerWaalsContact O-N 3.15Å; L97-R100 PolarHBondContact O-N 2.82Å; L97-R101 WeakPolarHBondContact O-CG 3.45Å; L97-R101 PolarHBondContact O-N 2.95Å
98	E	98.2	Very high	98	Very high	102 Å²	102	72 Å²	72	48%	0.477	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-40.9	176.4	-70	-51.8	136.3	0	0	111.9	K94 R100 R101 A102	K94-E98 WeakPolarHBondContact O-CG 3.25Å; K94-E98 PolarHBondContact O-N 2.82Å; E98-R100 VanDerWaalsContact C-N 3.3Å; E98-R100 PolarHBondContact O-N 2.85Å; E98-R101 PolarHBondContact O-N 2.83Å; E98-R101 IonicContact OE1-CZ 3.05Å; E98-R101 IonicContact OE1-NH1 3.02Å; E98-R101 PolarHBondContact OE1-NH1 2.8Å; E98-A102 PolarHBondContact O-N 2.83Å
99	R	97.9	Very high	98	Very high	166 Å²	166	69.8 Å²	69.8	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-57.3	-46.7	172.3	-175.4	-178.2	-60.1	161.7	4.1	110.9	D95 F96 R101 A102 E103	D95-R99 WeakPolarHBondContact O-CB 3.35Å; D95-R99 PolarHBondContact O-N 3.43Å; D95-R99 VanDerWaalsContact O-N 3.09Å; F96-R99 PolarHBondContact O-N 3.33Å; R99-R101 VanDerWaalsContact C-N 3.35Å; R99-R101 PolarHBondContact O-N 3.44Å; R99-A102 WeakPolarHBondContact O-CB 3.25Å; R99-A102 PolarHBondContact O-N 2.83Å; R99-A102 VanDerWaalsContact O-N 3.12Å; R99-E103 WeakPolarHBondContact O-CG 3.02Å; R99-E103 PolarHBondContact O-N 2.73Å
100	R	97.8	Very high	98.1	Very high	25 Å²	25	72.4 Å²	72.4	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-64.4	-38	-178.6	-161.2	66.4	67.8	-178.6	22.1	112.4	Y55 F69 Y76 F96 L97 E98 A102 E103	Y55-R100 VanDerWaalsContact CE1-CD 3.47Å; Y55-R100 HydrophobicContact CE1-CG 3.88Å; Y55-R100 WeakPolarHBondContact OH-CD 3.34Å; Y55-R100 PolarHBondContact OH-NH1 2.81Å; Y55-R100 VanDerWaalsContact OH-NH1 3.12Å; F69-R100 HydrophobicContact CB-CG 4.09Å; F69-R100 HydrophobicContact CD1-CG 3.47Å; F69-R100 VanDerWaalsContact CD1-CG 3.47Å; F69-R100 HydrophobicContact CD2-CB 4.14Å; F69-R100 HydrophobicContact CD2-CG 3.59Å; F69-R100 HydrophobicContact CE1-CB 4.33Å; F69-R100 HydrophobicContact CE1-CG 3.66Å; F69-R100 HydrophobicContact CE2-CB 3.93Å; F69-R100 HydrophobicContact CE2-CG 3.78Å; F69-R100 HydrophobicContact CG-CB 4.44Å; F69-R100 HydrophobicContact CG-CG 3.43Å; F69-R100 VanDerWaalsContact CG-CG 3.43Å; F69-R100 HydrophobicContact CZ-CB 4.03Å; F69-R100 HydrophobicContact CZ-CG 3.82Å; Y76-R100 HydrophobicContact CE2-CG 4.28Å; Y76-R100 PolarHBondContact OH-NE 3.3Å; Y76-R100 PolarHBondContact OH-NH2 2.91Å; Y76-R100 VanDerWaalsContact OH-NH2 3.13Å; F96-R100 PolarHBondContact O-N 2.98Å; L97-R100 PolarHBondContact O-N 2.82Å; E98-R100 VanDerWaalsContact C-N 3.3Å; E98-R100 PolarHBondContact O-N 2.85Å; R100-A102 VanDerWaalsContact C-N 3.3Å; R100-A102 PolarHBondContact O-N 3Å; R100-E103 IonicContact CZ-OE1 2.81Å; R100-E103 IonicContact NE-OE1 2.7Å; R100-E103 IonicContact NH1-OE1 3.68Å; R100-E103 PolarHBondContact NH1-OE1 2.84Å; R100-E103 IonicContact NH1-OE2 3.27Å; R100-E103 PolarHBondContact NH1-OE2 2.9Å; R100-E103 PolarHBondContact O-N 2.8Å
101	R	98.4	Very high	98.1	Very high	96 Å²	96	73.8 Å²	73.8	36%	0.362	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-39.5	172	-70.4	167.2	-179.1	179.2	-4.5	112	F69 G74 L97 E98 R99 E103	F69-R101 HydrophobicContact CE2-CG 4.21Å; F69-R101 HydrophobicContact CZ-CB 4.47Å; F69-R101 HydrophobicContact CZ-CG 3.85Å; G74-R101 VanDerWaalsContact O-CZ 3.26Å; G74-R101 PolarHBondContact O-NE 2.82Å; G74-R101 PolarHBondContact O-NH2 3.09Å; L97-R101 WeakPolarHBondContact O-CG 3.45Å; L97-R101 PolarHBondContact O-N 2.95Å; E98-R101 PolarHBondContact O-N 2.83Å; E98-R101 IonicContact OE1-CZ 3.05Å; E98-R101 IonicContact OE1-NH1 3.02Å; E98-R101 PolarHBondContact OE1-NH1 2.8Å; R99-R101 VanDerWaalsContact C-N 3.35Å; R99-R101 PolarHBondContact O-N 3.44Å; R101-E103 VanDerWaalsContact C-N 3.28Å; R101-E103 PolarHBondContact O-N 3.31Å
102	A	98.5	Very high	98.1	Very high	40 Å²	40	73.5 Å²	73.5	33%	0.331	36%	0.361	S	S	.	.	H	α-helix	trans	-74.7	-9.4	179.4	0	0	0	0	0	114.4	E98 R99 R100 V104 D105 T106	E98-A102 PolarHBondContact O-N 2.83Å; R99-A102 WeakPolarHBondContact O-CB 3.25Å; R99-A102 PolarHBondContact O-N 2.83Å; R99-A102 VanDerWaalsContact O-N 3.12Å; R100-A102 VanDerWaalsContact C-N 3.3Å; R100-A102 PolarHBondContact O-N 3Å; A102-V104 PolarHBondContact O-N 2.94Å; A102-D105 PolarHBondContact O-N 2.75Å; A102-D105 VanDerWaalsContact O-N 3.14Å; A102-T106 HydrophobicContact CB-CG2 4.36Å; A102-T106 WeakPolarHBondContact O-CG2 3.39Å; A102-T106 PolarHBondContact O-N 3.01Å; A102-T106 PolarHBondContact O-OG1 2.76Å
103	E	98.5	Very high	98.1	Very high	19 Å²	19	71.6 Å²	71.6	9%	0.089	35%	0.354	C	S	.	.	H	α-helix	trans	-68.6	-18.9	-178.8	-71.2	-171.5	-149.6	0	0	113.6	Y55 R99 R100 R101 D105 T106 V107 C108	Y55-E103 HydrophobicContact CD1-CB 4.35Å; Y55-E103 HydrophobicContact CD2-CB 4.07Å; Y55-E103 HydrophobicContact CE1-CB 4.25Å; Y55-E103 HydrophobicContact CE2-CB 3.88Å; Y55-E103 WeakPolarHBondContact CE2-OE2 3.41Å; Y55-E103 HydrophobicContact CG-CB 4.26Å; Y55-E103 PolarHBondContact OH-OE2 2.88Å; R99-E103 WeakPolarHBondContact O-CG 3.02Å; R99-E103 PolarHBondContact O-N 2.73Å; R100-E103 IonicContact CZ-OE1 2.81Å; R100-E103 IonicContact NE-OE1 2.7Å; R100-E103 IonicContact NH1-OE1 3.68Å; R100-E103 PolarHBondContact NH1-OE1 2.84Å; R100-E103 IonicContact NH1-OE2 3.27Å; R100-E103 PolarHBondContact NH1-OE2 2.9Å; R100-E103 PolarHBondContact O-N 2.8Å; R101-E103 VanDerWaalsContact C-N 3.28Å; R101-E103 PolarHBondContact O-N 3.31Å; E103-D105 PolarHBondContact O-N 3.01Å; E103-T106 WeakPolarHBondContact CA-OG1 3.47Å; E103-V107 HydrophobicContact CB-CB 4.18Å; E103-V107 HydrophobicContact CB-CG2 4.01Å; E103-V107 HydrophobicContact CG-CG2 3.8Å; E103-V107 WeakPolarHBondContact O-CA 3.43Å; E103-V107 WeakPolarHBondContact O-CB 3.17Å; E103-V107 PolarHBondContact O-N 3.37Å; E103-V107 VanDerWaalsContact O-N 3.08Å; E103-C108 PolarHBondContact O-N 3.05Å
104	V	98.6	Very high	98.1	Very high	16 Å²	16	71.3 Å²	71.3	10%	0.097	36%	0.359	C	S	.	.	I	π-helix	trans	-55.8	-42.2	169.6	-175.1	0	0	0	0	110.7	V53 S71 A102 C108 R109	V53-V104 HydrophobicContact CB-CG1 3.72Å; V53-V104 HydrophobicContact CG1-CG1 3.84Å; S71-V104 VanDerWaalsContact CB-CG2 3.5Å; A102-V104 PolarHBondContact O-N 2.94Å; V104-C108 VanDerWaalsContact O-CB 3.29Å; V104-C108 WeakPolarHBondContact O-CB 3.5Å; V104-R109 WeakPolarHBondContact O-CG 3.39Å; V104-R109 PolarHBondContact O-N 2.92Å
105	D	98.6	Very high	98.2	Very high	91 Å²	91	63.9 Å²	63.9	49%	0.487	33%	0.329	S	S	.	.	I	π-helix	trans	-90.9	-55	179.8	-71.1	-60.6	0	0	0	112.1	A102 E103 V107 R109 H110	A102-D105 PolarHBondContact O-N 2.75Å; A102-D105 VanDerWaalsContact O-N 3.14Å; E103-D105 PolarHBondContact O-N 3.01Å; D105-V107 VanDerWaalsContact C-N 3.27Å; D105-V107 PolarHBondContact O-N 2.84Å; D105-R109 WeakPolarHBondContact OD1-CD 3.45Å; D105-R109 IonicContact OD1-CZ 3.87Å; D105-R109 IonicContact OD1-NE 2.71Å; D105-R109 IonicContact OD1-NH1 3.29Å; D105-R109 PolarHBondContact OD1-NH1 3.21Å; D105-R109 IonicContact OD2-NH1 2.69Å; D105-H110 PolarHBondContact O-N 2.91Å; D105-H110 VanDerWaalsContact O-N 3.13Å
106	T	98.3	Very high	98.2	Very high	85 Å²	85	60.7 Å²	60.7	52%	0.521	31%	0.31	S	S	.	.	I	π-helix	trans	-69.2	-24.9	-170.1	57.9	0	0	0	0	113.5	A102 E103 H110	A102-T106 HydrophobicContact CB-CG2 4.36Å; A102-T106 WeakPolarHBondContact O-CG2 3.39Å; A102-T106 PolarHBondContact O-N 3.01Å; A102-T106 PolarHBondContact O-OG1 2.76Å; E103-T106 WeakPolarHBondContact CA-OG1 3.47Å; T106-H110 WeakPolarHBondContact O-CB 3.41Å
107	V	98.2	Very high	98.2	Very high	47 Å²	47	62.7 Å²	62.7	29%	0.285	33%	0.33	S	S	.	.	I	π-helix	trans	-113.6	-60.1	178.5	-179.9	0	0	0	0	110.2	E103 D105 N111	E103-V107 HydrophobicContact CB-CB 4.18Å; E103-V107 HydrophobicContact CB-CG2 4.01Å; E103-V107 HydrophobicContact CG-CG2 3.8Å; E103-V107 WeakPolarHBondContact O-CA 3.43Å; E103-V107 WeakPolarHBondContact O-CB 3.17Å; E103-V107 PolarHBondContact O-N 3.37Å; E103-V107 VanDerWaalsContact O-N 3.08Å; D105-V107 VanDerWaalsContact C-N 3.27Å; D105-V107 PolarHBondContact O-N 2.84Å; V107-N111 WeakPolarHBondContact O-CB 3.19Å; V107-N111 PolarHBondContact O-N 3.48Å; V107-N111 PolarHBondContact O-ND2 2.9Å
108	C	98.6	Very high	98.1	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.352	C	S	.	.	I	π-helix	trans	-67.8	-57.8	-170.5	-60.5	0	0	0	0	112.7	C44 F46 V53 E103 V104 H110 N111 Y112	C44-C108 HydrophobicContact CB-CB 3.6Å; C44-C108 WeakPolarHBondContact CB-SG 3.29Å; C44-C108 WeakPolarHBondContact SG-CA 3.25Å; C44-C108 WeakPolarHBondContact SG-CB 3.43Å; C44-C108 CovalentContact SG-SG 2.03Å; C44-C108 PolarHBondContact SG-SG 2.84Å; F46-C108 HydrophobicContact CE1-CB 4.11Å; F46-C108 HydrophobicContact CZ-CB 4Å; F46-C108 WeakPolarHBondContact CZ-O 3.24Å; V53-C108 HydrophobicContact CG1-CB 3.53Å; E103-C108 PolarHBondContact O-N 3.05Å; V104-C108 VanDerWaalsContact O-CB 3.29Å; V104-C108 WeakPolarHBondContact O-CB 3.5Å; C108-H110 VanDerWaalsContact C-N 3.34Å; C108-H110 PolarHBondContact O-N 2.67Å; C108-N111 PolarHBondContact O-N 3.32Å; C108-Y112 WeakPolarHBondContact O-CB 3.14Å; C108-Y112 PolarHBondContact O-N 2.85Å
109	R	98.6	Very high	98.1	Very high	76 Å²	76	64.9 Å²	64.9	29%	0.287	34%	0.341	S	S	.	.	I	π-helix	trans	-64.1	-40.7	179.3	-69.7	-169.5	-179.9	94.9	2	111.9	T50 V53 V104 D105 Y112 G113	T50-R109 PolarHBondContact O-NE 3Å; T50-R109 VanDerWaalsContact O-NE 3.1Å; V53-R109 HydrophobicContact CG2-CG 3.95Å; V104-R109 WeakPolarHBondContact O-CG 3.39Å; V104-R109 PolarHBondContact O-N 2.92Å; D105-R109 WeakPolarHBondContact OD1-CD 3.45Å; D105-R109 IonicContact OD1-CZ 3.87Å; D105-R109 IonicContact OD1-NE 2.71Å; D105-R109 IonicContact OD1-NH1 3.29Å; D105-R109 PolarHBondContact OD1-NH1 3.21Å; D105-R109 IonicContact OD2-NH1 2.69Å; R109-Y112 PolarHBondContact O-N 2.92Å; R109-G113 PolarHBondContact O-N 3.04Å; R109-G113 VanDerWaalsContact O-N 3.08Å
110	H	98.3	Very high	98.1	Very high	112 Å²	112	60.2 Å²	60.2	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-56.7	-55.3	174.9	179.5	71.5	0	0	0	112.1	D105 T106 C108 Y112 G113 V114	D105-H110 PolarHBondContact O-N 2.91Å; D105-H110 VanDerWaalsContact O-N 3.13Å; T106-H110 WeakPolarHBondContact O-CB 3.41Å; C108-H110 VanDerWaalsContact C-N 3.34Å; C108-H110 PolarHBondContact O-N 2.67Å; H110-Y112 VanDerWaalsContact C-N 3.33Å; H110-Y112 PolarHBondContact O-N 2.91Å; H110-G113 PolarHBondContact O-N 3.45Å; H110-G113 VanDerWaalsContact O-N 3.16Å; H110-V114 WeakPolarHBondContact O-CG2 3.15Å; H110-V114 PolarHBondContact O-N 2.98Å
111	N	98.5	Very high	98	Very high	90 Å²	90	63.3 Å²	63.3	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-68	-32.5	-177.7	-71.2	-20.7	0	0	0	112.7	V107 C108 V114 G115	V107-N111 WeakPolarHBondContact O-CB 3.19Å; V107-N111 PolarHBondContact O-N 3.48Å; V107-N111 PolarHBondContact O-ND2 2.9Å; C108-N111 PolarHBondContact O-N 3.32Å; N111-V114 PolarHBondContact O-N 2.02Å; N111-G115 PolarHBondContact O-N 2.87Å
112	Y	98.5	Very high	98	Very high	36 Å²	36	62.7 Å²	62.7	14%	0.141	34%	0.344	C	S	.	.	H	α-helix	trans	-56.6	-51.9	170.4	-176.3	-77.8	0	0	0	110.1	F46 T50 C108 R109 H110 V114 G115 E116 V120	F46-Y112 HydrophobicContact CB-CD2 4.49Å; F46-Y112 HydrophobicContact CB-CE2 4.41Å; F46-Y112 AromaticContact CD1-CD2 3.56Å; F46-Y112 HydrophobicContact CD1-CD2 3.56Å; F46-Y112 HydrophobicContact CD1-CE2 4.2Å; F46-Y112 HydrophobicContact CD1-CG 4.24Å; F46-Y112 HydrophobicContact CD2-CD2 4.03Å; F46-Y112 AromaticContact CE1-CD2 3.66Å; F46-Y112 HydrophobicContact CE1-CD2 3.66Å; F46-Y112 AromaticContact CE1-CG 3.99Å; F46-Y112 HydrophobicContact CE1-CG 3.99Å; F46-Y112 HydrophobicContact CE2-CD2 4.1Å; F46-Y112 AromaticContact CG-CD2 3.76Å; F46-Y112 HydrophobicContact CG-CD2 3.76Å; F46-Y112 HydrophobicContact CG-CE2 4.16Å; F46-Y112 AromaticContact CZ-CD2 3.92Å; F46-Y112 HydrophobicContact CZ-CD2 3.92Å; F46-Y112 HydrophobicContact CZ-CG 4.33Å; T50-Y112 HydrophobicContact CG2-CD1 3.35Å; T50-Y112 HydrophobicContact CG2-CD2 3.89Å; T50-Y112 HydrophobicContact CG2-CE1 3.75Å; T50-Y112 HydrophobicContact CG2-CE2 4.22Å; T50-Y112 HydrophobicContact CG2-CG 3.44Å; T50-Y112 VanDerWaalsContact CG2-CG 3.44Å; C108-Y112 WeakPolarHBondContact O-CB 3.14Å; C108-Y112 PolarHBondContact O-N 2.85Å; R109-Y112 PolarHBondContact O-N 2.92Å; H110-Y112 VanDerWaalsContact C-N 3.33Å; H110-Y112 PolarHBondContact O-N 2.91Å; Y112-V114 VanDerWaalsContact C-N 3.34Å; Y112-V114 PolarHBondContact O-N 2.73Å; Y112-G115 CarbonylContact O-C 3.6Å; Y112-G115 PolarHBondContact O-N 3.13Å; Y112-E116 HydrophobicContact CD1-CB 4.41Å; Y112-E116 HydrophobicContact CE1-CB 4.27Å; Y112-E116 HydrophobicContact CE1-CG 4.1Å; Y112-E116 WeakPolarHBondContact O-CA 3.28Å; Y112-E116 VanDerWaalsContact O-CB 3.28Å; Y112-E116 WeakPolarHBondContact O-CB 3.34Å; Y112-E116 PolarHBondContact O-N 2.84Å; Y112-V120 HydrophobicContact CD2-CG2 4.43Å; Y112-V120 HydrophobicContact CE2-CG2 3.77Å
113	G	98	Very high	98	Very high	48 Å²	48	67.7 Å²	67.7	50%	0.495	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-38.7	179.4	0	0	0	0	0	113.3	R109 H110	R109-G113 PolarHBondContact O-N 3.04Å; R109-G113 VanDerWaalsContact O-N 3.08Å; H110-G113 PolarHBondContact O-N 3.45Å; H110-G113 VanDerWaalsContact O-N 3.16Å
114	V	98.1	Very high	98	Very high	88 Å²	88	68.7 Å²	68.7	53%	0.533	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-42.1	175.1	173.2	0	0	0	0	111.5	H110 N111 Y112 F118	H110-V114 WeakPolarHBondContact O-CG2 3.15Å; H110-V114 PolarHBondContact O-N 2.98Å; N111-V114 PolarHBondContact O-N 2.02Å; Y112-V114 VanDerWaalsContact C-N 3.34Å; Y112-V114 PolarHBondContact O-N 2.73Å; V114-F118 WeakPolarHBondContact O-CE1 3.42Å
115	G	97.6	Very high	98	Very high	9 Å²	9	73.5 Å²	73.5	9%	0.093	38%	0.383	C	S	.	.	H	α-helix	trans	-88.6	-14.5	-174.4	0	0	0	0	0	115.5	N111 Y112 S117 F118 T119	N111-G115 PolarHBondContact O-N 2.87Å; Y112-G115 CarbonylContact O-C 3.6Å; Y112-G115 PolarHBondContact O-N 3.13Å; G115-S117 VanDerWaalsContact C-N 3.31Å; G115-S117 PolarHBondContact O-N 2.75Å; G115-F118 PolarHBondContact O-N 2.63Å; G115-T119 VanDerWaalsContact C-OG1 3.29Å; G115-T119 WeakPolarHBondContact O-CB 3.38Å; G115-T119 PolarHBondContact O-N 2.88Å; G115-T119 PolarHBondContact O-OG1 2.8Å
116	E	97.9	Very high	98	Very high	69 Å²	69	69.8 Å²	69.8	32%	0.322	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-44.8	-165	179	168.7	-152.7	0	0	112.9	Y112 F118 V120 Q121	Y112-E116 HydrophobicContact CD1-CB 4.41Å; Y112-E116 HydrophobicContact CE1-CB 4.27Å; Y112-E116 HydrophobicContact CE1-CG 4.1Å; Y112-E116 WeakPolarHBondContact O-CA 3.28Å; Y112-E116 VanDerWaalsContact O-CB 3.28Å; Y112-E116 WeakPolarHBondContact O-CB 3.34Å; Y112-E116 PolarHBondContact O-N 2.84Å; E116-F118 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 2.98Å; E116-V120 HydrophobicContact CG-CB 4.19Å; E116-V120 PolarHBondContact O-N 3.38Å; E116-V120 VanDerWaalsContact O-N 3.15Å; E116-Q121 HydrophobicContact CG-CG 4.04Å; E116-Q121 PolarHBondContact O-N 3.43Å
117	S	97.6	Very high	98	Very high	89 Å²	89	72.1 Å²	72.1	62%	0.622	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.1	-174.1	61.2	0	0	0	0	113.8	G115	G115-S117 VanDerWaalsContact C-N 3.31Å; G115-S117 PolarHBondContact O-N 2.75Å
118	F	96.2	Very high	98	Very high	123 Å²	123	71 Å²	71	54%	0.539	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-2.7	-175.3	63.9	-94.8	0	0	0	114.3	V114 G115 E116 R122	V114-F118 WeakPolarHBondContact O-CE1 3.42Å; G115-F118 PolarHBondContact O-N 2.63Å; E116-F118 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 2.98Å; F118-R122 WeakPolarHBondContact O-CB 3.37Å
119	T	97.5	Very high	97.9	Very high	38 Å²	38	74.1 Å²	74.1	23%	0.233	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-62.1	176.6	60.4	0	0	0	0	112.2	G115 Y152 W182	G115-T119 VanDerWaalsContact C-OG1 3.29Å; G115-T119 WeakPolarHBondContact O-CB 3.38Å; G115-T119 PolarHBondContact O-N 2.88Å; G115-T119 PolarHBondContact O-OG1 2.8Å; T119-Y152 PolarHBondContact O-OH 3.35Å; T119-W182 HydrophobicContact CG2-CH2 3.78Å; T119-W182 HydrophobicContact CG2-CZ3 3.89Å
120	V	97.3	Very high	97.8	Very high	68 Å²	68	71.5 Å²	71.5	41%	0.412	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-46.3	-176	179.1	0	0	0	0	110.9	Y112 E116 R122	Y112-V120 HydrophobicContact CD2-CG2 4.43Å; Y112-V120 HydrophobicContact CE2-CG2 3.77Å; E116-V120 HydrophobicContact CG-CB 4.19Å; E116-V120 PolarHBondContact O-N 3.38Å; E116-V120 VanDerWaalsContact O-N 3.15Å; V120-R122 VanDerWaalsContact C-N 3.27Å; V120-R122 PolarHBondContact O-N 3.02Å
121	Q	97.4	Very high	97.6	Very high	90 Å²	90	70.8 Å²	70.8	42%	0.421	37%	0.367	S	S	.	.	S	Bend	trans	-85.2	-1.9	-178	-58.1	-58.5	-23.4	0	0	113.2	E116 R123	E116-Q121 HydrophobicContact CG-CG 4.04Å; E116-Q121 PolarHBondContact O-N 3.43Å; Q121-R123 PolarHBondContact O-N 2.98Å
122	R	97.9	Very high	97.3	Very high	83 Å²	83	68.4 Å²	68.4	31%	0.313	36%	0.356	S	S	.	.			trans	-61.8	127.3	179.6	179.8	-178.9	175.5	82.9	-1.7	109.9	F118 V120 V124 Y152	F118-R122 WeakPolarHBondContact O-CB 3.37Å; V120-R122 VanDerWaalsContact C-N 3.27Å; V120-R122 PolarHBondContact O-N 3.02Å; R122-V124 HydrophobicContact CG-CG2 4.34Å; R122-Y152 HydrophobicContact CB-CD1 3.86Å; R122-Y152 HydrophobicContact CB-CE1 3.75Å; R122-Y152 HydrophobicContact CG-CD1 3.61Å; R122-Y152 HydrophobicContact CG-CE1 3.93Å; R122-Y152 HydrophobicContact CG-CG 4.29Å; R122-Y152 VanDerWaalsContact O-CD1 3.3Å; R122-Y152 WeakPolarHBondContact O-CD1 3.47Å
123	R	98.3	Very high	96.8	Very high	144 Å²	144	69.1 Å²	69.1	54%	0.543	37%	0.369	S	S	.	.			trans	-134	126.3	173.9	-67.7	175.6	-171.6	142.7	6.9	109	Q121 Y152 P207	Q121-R123 PolarHBondContact O-N 2.98Å; R123-Y152 CarbonylContact C-O 3.45Å; R123-Y152 VanDerWaalsContact CA-O 3.31Å; R123-Y152 WeakPolarHBondContact CA-O 3.35Å; R123-P207 WeakPolarHBondContact CD-O 3.36Å
124	V	98.3	Very high	96	Very high	41 Å²	41	73.7 Å²	73.7	25%	0.248	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-125.7	131.1	175.8	-171.5	0	0	0	0	108.2	R122 G150 F151 Y152 H206	R122-V124 HydrophobicContact CG-CG2 4.34Å; V124-G150 WeakPolarHBondContact CG1-O 3.39Å; V124-F151 WeakPolarHBondContact O-CA 3.39Å; V124-Y152 PolarHBondContact N-O 2.67Å; V124-Y152 PolarHBondContact O-N 2.79Å; V124-H206 PolarHBondContact O-CE1 3.37Å
125	H	97.8	Very high	94.8	Very high	117 Å²	117	76 Å²	76	54%	0.542	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-72.4	138.5	-175.1	-71.6	67.4	0	0	0	111.4	S208 V209	H125-S208 WeakPolarHBondContact CA-OG 3.28Å; H125-S208 PolarHBondContact CE1-O 2.92Å; H125-S208 VanDerWaalsContact CE1-O 3.3Å; H125-S208 PolarHBondContact NE2-O 3.43Å; H125-S208 VanDerWaalsContact NE2-O 3.09Å; H125-V209 WeakPolarHBondContact CD2-CG1 3.23Å
126	P	98.4	Very high	93.5	Very high	13 Å²	13	79.3 Å²	79.3	8%	0.084	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-71	138.9	172.6	26.3	-31	0	0	0	111.5	V128 V148 S149 F151 V204 H206 L213	P126-V128 HydrophobicContact CB-CG2 4.32Å; P126-V148 HydrophobicContact CB-CG1 3.54Å; P126-S149 WeakPolarHBondContact CA-O 3.45Å; P126-F151 HydrophobicContact CB-CB 3.77Å; P126-F151 HydrophobicContact CB-CD1 4.13Å; P126-F151 HydrophobicContact CB-CG 4.25Å; P126-F151 HydrophobicContact CG-CB 4.42Å; P126-V204 HydrophobicContact CG-CG1 4.15Å; P126-H206 HydrophobicContact CG-CB 4.35Å; P126-L213 HydrophobicContact CG-CD1 3.64Å
127	E	98.2	Very high	92	Very high	134 Å²	134	79.6 Å²	79.6	63%	0.626	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.8	159.8	-173.5	173	-175.2	0	0	108.6	V148 S149	E127-V148 WeakPolarHBondContact O-CA 3.41Å; E127-S149 PolarHBondContact N-O 3.47Å; E127-S149 PolarHBondContact O-N 3.21Å
128	V	98.4	Very high	90.5	Very high	24 Å²	24	77 Å²	77	15%	0.145	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.9	-174.6	-174	0	0	0	0	109.4	P126 S147 V148 V204 L213 V215	P126-V128 HydrophobicContact CB-CG2 4.32Å; V128-S147 WeakPolarHBondContact CA-O 3.44Å; V128-V148 HydrophobicContact CG1-CG2 4.43Å; V128-V148 HydrophobicContact CG2-CG1 4.28Å; V128-V204 HydrophobicContact CG1-CG2 4.09Å; V128-V204 HydrophobicContact CG2-CB 4.3Å; V128-V204 HydrophobicContact CG2-CG2 3.8Å; V128-L213 HydrophobicContact CG2-CD1 4.31Å; V128-V215 HydrophobicContact CB-CG2 3.78Å; V128-V215 HydrophobicContact CG1-CB 4.1Å; V128-V215 HydrophobicContact CG1-CG2 3.58Å
129	T	97.4	Very high	89.2	Confident	65 Å²	65	78.2 Å²	78.2	40%	0.399	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.4	176.6	-53.1	0	0	0	0	110.1	Y131 S147	T129-Y131 HydrophobicContact CG2-CD1 3.97Å; T129-Y131 HydrophobicContact CG2-CE1 4.5Å; T129-S147 PolarHBondContact N-O 3.13Å; T129-S147 PolarHBondContact O-N 3.38Å
130	V	97	Very high	88.2	Confident	20 Å²	20	81 Å²	81	12%	0.121	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.4	176.7	-178.3	0	0	0	0	110.8	V145 C146 W160 C202 V215 W217	V130-V145 VanDerWaalsContact CA-O 3.31Å; V130-V145 WeakPolarHBondContact CA-O 3.43Å; V130-C146 HydrophobicContact CG2-CB 4.32Å; V130-W160 HydrophobicContact CG1-CH2 3.58Å; V130-W160 HydrophobicContact CG1-CZ3 4.19Å; V130-W160 HydrophobicContact CG2-CH2 4.46Å; V130-C202 HydrophobicContact CG2-CB 3.62Å; V130-V215 HydrophobicContact CB-CG1 4.04Å; V130-V215 HydrophobicContact CG2-CB 3.85Å; V130-V215 HydrophobicContact CG2-CG1 3.65Å; V130-W217 HydrophobicContact CB-CB 4.38Å; V130-W217 HydrophobicContact CG1-CB 3.58Å; V130-W217 HydrophobicContact CG1-CG 4.23Å
131	Y	93	Very high	87.4	Confident	98 Å²	98	83.9 Å²	83.9	38%	0.384	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.6	179.8	56.7	-88.1	0	0	0	111.8	T129 V145	T129-Y131 HydrophobicContact CG2-CD1 3.97Å; T129-Y131 HydrophobicContact CG2-CE1 4.5Å; Y131-V145 HydrophobicContact CD2-CB 4.19Å; Y131-V145 HydrophobicContact CE1-CB 4.41Å; Y131-V145 HydrophobicContact CE1-CG1 4.26Å; Y131-V145 HydrophobicContact CE2-CB 3.84Å; Y131-V145 HydrophobicContact CE2-CG1 4.09Å; Y131-V145 HydrophobicContact CE2-CG2 4.12Å; Y131-V145 PolarHBondContact N-O 3.03Å; Y131-V145 PolarHBondContact O-N 3.33Å
132	P	92.8	Very high	86.8	Confident	39 Å²	39	80.4 Å²	80.4	25%	0.253	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	139	170.8	31.8	-33.2	0	0	0	110.1	K134 L144	P132-K134 PolarHBondContact O-N 2.86Å; P132-L144 HydrophobicContact CB-CD2 4.07Å
133	A	88.1	Confident	86.5	Confident	51 Å²	51	79.1 Å²	79.1	42%	0.421	40%	0.399	S	S	.	.	S	Bend	trans	-62.3	-31.1	178.6	0	0	0	0	0	112.4	L143 V145	A133-L143 HydrophobicContact CB-CB 3.92Å; A133-L143 HydrophobicContact CB-CD2 4.31Å; A133-L143 WeakPolarHBondContact CB-O 3.39Å; A133-L143 PolarHBondContact N-O 2.97Å; A133-V145 HydrophobicContact CB-CG2 3.91Å
134	K	81.8	Confident	86.3	Confident	144 Å²	144	72.3 Å²	72.3	63%	0.626	37%	0.374	S	S	*	.	S	Bend	trans	-134.9	143.1	174	-65.7	-177.2	-177.8	177.8	0	110.2	P132 Q136 N142	P132-K134 PolarHBondContact O-N 2.86Å; K134-Q136 HydrophobicContact CB-CG 4.12Å; K134-Q136 PolarHBondContact O-N 2.96Å; K134-N142 PolarHBondContact O-ND2 3Å
135	T	72.6	Confident	86.3	Confident	136 Å²	136	70.7 Å²	70.7	83%	0.834	36%	0.364	S	S	*	.			trans	-73.8	79.2	169.5	-42.1	0	0	0	0	109
136	Q	69.7	Low	86.3	Confident	80 Å²	80	65.1 Å²	65.1	37%	0.374	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-101.7	153	174.9	-75	-156.7	13.7	0	0	111.8	K134 H141	K134-Q136 HydrophobicContact CB-CG 4.12Å; K134-Q136 PolarHBondContact O-N 2.96Å; Q136-H141 PolarHBondContact OE1-O 3.28Å
137	P	67.3	Low	86.3	Confident	74 Å²	74	65.6 Å²	65.6	48%	0.481	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-55.6	153	168.9	-19	30.4	0	0	0	111.2
138	L	64.8	Low	86.3	Confident	35 Å²	35	59.2 Å²	59.2	18%	0.183	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	161.3	170.2	-64	-177.5	0	0	0	110.9	H140 P194 A219 S221	L138-H140 PolarHBondContact O-N 3.33Å; L138-H140 PolarHBondContact O-ND1 3.26Å; L138-H140 VanDerWaalsContact O-ND1 3.13Å; L138-P194 HydrophobicContact CD2-CB 4.06Å; L138-A219 HydrophobicContact CD2-CB 3.95Å; L138-S221 VanDerWaalsContact CD1-CA 3.5Å
139	Q	68.7	Low	86.3	Confident	148 Å²	148	59.5 Å²	59.5	69%	0.692	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	13.6	-178.3	-51.1	173.1	-5.7	0	0	115.3	V193 P194	Q139-V193 VanDerWaalsContact C-CG1 3.46Å; Q139-P194 PolarHBondContact N-O 2.88Å
140	H	77.4	Confident	86.4	Confident	98 Å²	98	57.7 Å²	57.7	45%	0.454	31%	0.309	S	S	.	.	S	Bend	trans	-111.9	157.2	169.8	-66.3	60.4	0	0	0	110.1	L138 N142	L138-H140 PolarHBondContact O-N 3.33Å; L138-H140 PolarHBondContact O-ND1 3.26Å; L138-H140 VanDerWaalsContact O-ND1 3.13Å; H140-N142 PolarHBondContact O-N 2.91Å
141	H	80.6	Confident	86.4	Confident	128 Å²	128	56.7 Å²	56.7	59%	0.593	30%	0.303	S	S	*	.			trans	-58.6	122.5	173.8	-78.2	-90.9	0	0	0	109.9	Q136 E191	Q136-H141 PolarHBondContact OE1-O 3.28Å; H141-E191 IonicContact ND1-OE1 3.7Å
142	N	83.8	Confident	86.7	Confident	16 Å²	16	54.1 Å²	54.1	9%	0.086	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	158.2	177.1	-153.3	-17.7	0	0	0	109.9	K134 H140 T192 P194	K134-N142 PolarHBondContact O-ND2 3Å; H140-N142 PolarHBondContact O-N 2.91Å; N142-T192 PolarHBondContact N-O 2.83Å; N142-T192 PolarHBondContact O-N 2.87Å; N142-P194 HydrophobicContact CB-CG 4.31Å
143	L	91.6	Very high	87	Confident	57 Å²	57	54 Å²	54	30%	0.298	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110	176	-168.3	72.3	0	0	0	107.2	A133 M189 L190 E191	A133-L143 HydrophobicContact CB-CB 3.92Å; A133-L143 HydrophobicContact CB-CD2 4.31Å; A133-L143 WeakPolarHBondContact CB-O 3.39Å; A133-L143 PolarHBondContact N-O 2.97Å; L143-M189 HydrophobicContact CD1-CB 3.83Å; L143-M189 HydrophobicContact CD2-CB 4.1Å; L143-M189 HydrophobicContact CD2-CG 4.19Å; L143-M189 HydrophobicContact CD2-SD 3.87Å; L143-M189 HydrophobicContact CG-CB 3.91Å; L143-M189 HydrophobicContact CG-CG 4.42Å; L143-L190 WeakPolarHBondContact CA-O 3.44Å; L143-E191 HydrophobicContact CD1-CB 4.23Å
144	L	95.4	Very high	87.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.9	172.2	-65.4	-179.5	0	0	0	108.7	P132 W160 M189 L190 T192 Y200 W217	P132-L144 HydrophobicContact CB-CD2 4.07Å; L144-W160 HydrophobicContact CB-CH2 3.74Å; L144-W160 HydrophobicContact CB-CZ2 4.05Å; L144-W160 HydrophobicContact CB-CZ3 4.45Å; L144-M189 CarbonylContact O-C 3.48Å; L144-M189 WeakPolarHBondContact O-CA 3.13Å; L144-L190 PolarHBondContact N-O 2.83Å; L144-L190 PolarHBondContact O-N 2.79Å; L144-T192 HydrophobicContact CD1-CG2 4Å; L144-T192 HydrophobicContact CG-CG2 4.12Å; L144-Y200 HydrophobicContact CD1-CD1 3.64Å; L144-Y200 HydrophobicContact CD1-CD2 3.84Å; L144-Y200 HydrophobicContact CD1-CE1 4.15Å; L144-Y200 HydrophobicContact CD1-CE2 4.35Å; L144-Y200 HydrophobicContact CD1-CG 3.45Å; L144-Y200 VanDerWaalsContact CD1-CG 3.45Å; L144-W217 HydrophobicContact CD1-CD2 4.36Å; L144-W217 HydrophobicContact CD1-CE3 3.66Å; L144-W217 HydrophobicContact CD1-CZ3 3.87Å; L144-W217 HydrophobicContact CD2-CD2 3.82Å; L144-W217 HydrophobicContact CD2-CE3 3.77Å; L144-W217 HydrophobicContact CD2-CH2 3.95Å; L144-W217 HydrophobicContact CD2-CZ2 3.99Å; L144-W217 HydrophobicContact CD2-CZ3 3.83Å; L144-W217 HydrophobicContact CG-CE3 4.4Å; L144-W217 HydrophobicContact CG-CZ3 4.46Å
145	V	97.3	Very high	88.2	Confident	8 Å²	8	48.8 Å²	48.8	5%	0.048	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.8	-176.6	-174.3	0	0	0	0	108.6	V130 Y131 A133 L187 M189	V130-V145 VanDerWaalsContact CA-O 3.31Å; V130-V145 WeakPolarHBondContact CA-O 3.43Å; Y131-V145 HydrophobicContact CD2-CB 4.19Å; Y131-V145 HydrophobicContact CE1-CB 4.41Å; Y131-V145 HydrophobicContact CE1-CG1 4.26Å; Y131-V145 HydrophobicContact CE2-CB 3.84Å; Y131-V145 HydrophobicContact CE2-CG1 4.09Å; Y131-V145 HydrophobicContact CE2-CG2 4.12Å; Y131-V145 PolarHBondContact N-O 3.03Å; Y131-V145 PolarHBondContact O-N 3.33Å; A133-V145 HydrophobicContact CB-CG2 3.91Å; V145-L187 HydrophobicContact CG1-CD2 3.48Å; V145-L187 VanDerWaalsContact CG1-CD2 3.48Å; V145-M189 HydrophobicContact CG1-CG 4.32Å; V145-M189 HydrophobicContact CG2-CG 4.24Å
146	C	98.3	Very high	89.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	104.6	163.7	-174.7	0	0	0	0	108	V130 W160 V188 C202	V130-C146 HydrophobicContact CG2-CB 4.32Å; C146-W160 HydrophobicContact CB-CH2 4.24Å; C146-W160 HydrophobicContact CB-CZ2 3.57Å; C146-V188 WeakPolarHBondContact CB-O 3.43Å; C146-V188 PolarHBondContact N-O 2.95Å; C146-V188 PolarHBondContact O-N 2.94Å; C146-C202 HydrophobicContact CB-CB 3.62Å; C146-C202 WeakPolarHBondContact CB-SG 3.08Å; C146-C202 WeakPolarHBondContact SG-CB 3.27Å; C146-C202 CovalentContact SG-SG 2.02Å; C146-C202 PolarHBondContact SG-SG 2.64Å
147	S	98.3	Very high	90.8	Very high	22 Å²	22	45 Å²	45	15%	0.154	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.5	175.4	-174.5	0	0	0	0	108.8	V128 T129	V128-S147 WeakPolarHBondContact CA-O 3.44Å; T129-S147 PolarHBondContact N-O 3.13Å; T129-S147 PolarHBondContact O-N 3.38Å
148	V	98.6	Very high	92.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.8	178.3	-170.4	0	0	0	0	107.9	P126 E127 V128 F151 I156 V158 Q185 T186 V204	P126-V148 HydrophobicContact CB-CG1 3.54Å; E127-V148 WeakPolarHBondContact O-CA 3.41Å; V128-V148 HydrophobicContact CG1-CG2 4.43Å; V128-V148 HydrophobicContact CG2-CG1 4.28Å; V148-F151 HydrophobicContact CB-CE1 4.32Å; V148-F151 HydrophobicContact CG1-CD1 3.87Å; V148-F151 HydrophobicContact CG1-CE1 3.87Å; V148-F151 WeakPolarHBondContact O-CE1 3.22Å; V148-I156 HydrophobicContact CG1-CD1 3.61Å; V148-V158 HydrophobicContact CG2-CG1 4.35Å; V148-V158 HydrophobicContact CG2-CG2 4.08Å; V148-Q185 CarbonylContact O-C 3.53Å; V148-Q185 VanDerWaalsContact O-CA 3.25Å; V148-Q185 WeakPolarHBondContact O-CA 3.09Å; V148-T186 HydrophobicContact CB-CG2 4.02Å; V148-T186 PolarHBondContact N-O 3.11Å; V148-T186 PolarHBondContact O-N 2.84Å; V148-V204 HydrophobicContact CG1-CG1 4.16Å; V148-V204 HydrophobicContact CG1-CG2 4.43Å; V148-V204 HydrophobicContact CG2-CG2 3.82Å
149	S	98.3	Very high	93.8	Very high	31 Å²	31	43.7 Å²	43.7	22%	0.217	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	159.5	-169.8	51.3	0	0	0	0	113.3	P126 E127 F151	P126-S149 WeakPolarHBondContact CA-O 3.45Å; E127-S149 PolarHBondContact N-O 3.47Å; E127-S149 PolarHBondContact O-N 3.21Å; S149-F151 VanDerWaalsContact C-N 3.31Å; S149-F151 PolarHBondContact O-N 3.24Å
150	G	98.1	Very high	95.3	Very high	26 Å²	26	36.7 Å²	36.7	27%	0.268	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.4	12.4	170.6	0	0	0	0	0	114.9	V124 F184	V124-G150 WeakPolarHBondContact CG1-O 3.39Å; G150-F184 PolarHBondContact N-O 3.14Å
151	F	98.6	Very high	96.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	159.6	-175	62.1	-88.3	0	0	0	113.5	V124 P126 V148 S149 P153 I156 L176 T183 F184 T186 H206	V124-F151 WeakPolarHBondContact O-CA 3.39Å; P126-F151 HydrophobicContact CB-CB 3.77Å; P126-F151 HydrophobicContact CB-CD1 4.13Å; P126-F151 HydrophobicContact CB-CG 4.25Å; P126-F151 HydrophobicContact CG-CB 4.42Å; V148-F151 HydrophobicContact CB-CE1 4.32Å; V148-F151 HydrophobicContact CG1-CD1 3.87Å; V148-F151 HydrophobicContact CG1-CE1 3.87Å; V148-F151 WeakPolarHBondContact O-CE1 3.22Å; S149-F151 VanDerWaalsContact C-N 3.31Å; S149-F151 PolarHBondContact O-N 3.24Å; F151-P153 WeakPolarHBondContact CD2-O 3.08Å; F151-I156 HydrophobicContact CD1-CD1 3.94Å; F151-I156 HydrophobicContact CD2-CB 4.47Å; F151-I156 HydrophobicContact CD2-CD1 3.84Å; F151-I156 HydrophobicContact CE1-CD1 3.77Å; F151-I156 HydrophobicContact CE2-CB 3.9Å; F151-I156 HydrophobicContact CE2-CD1 3.67Å; F151-I156 HydrophobicContact CE2-CG1 4.4Å; F151-I156 HydrophobicContact CE2-CG2 3.79Å; F151-I156 HydrophobicContact CG-CD1 3.98Å; F151-I156 HydrophobicContact CZ-CB 4.32Å; F151-I156 HydrophobicContact CZ-CD1 3.64Å; F151-I156 HydrophobicContact CZ-CG2 3.84Å; F151-L176 HydrophobicContact CE2-CD1 3.86Å; F151-L176 HydrophobicContact CZ-CD1 3.79Å; F151-T183 CarbonylContact O-C 3.5Å; F151-T183 WeakPolarHBondContact O-CA 3.37Å; F151-F184 WeakPolarHBondContact CD1-O 3.49Å; F151-F184 HydrophobicContact CD2-CB 4.04Å; F151-F184 HydrophobicContact CE1-CB 4.24Å; F151-F184 HydrophobicContact CE2-CB 3.6Å; F151-F184 HydrophobicContact CE2-CG 4.42Å; F151-F184 HydrophobicContact CZ-CB 3.71Å; F151-F184 PolarHBondContact N-O 2.9Å; F151-F184 WeakPolarHBondContact O-CD2 3.37Å; F151-F184 PolarHBondContact O-N 3.18Å; F151-T186 HydrophobicContact CE1-CG2 4.26Å; F151-T186 HydrophobicContact CZ-CG2 4.18Å; F151-H206 AromaticContact CD2-CD2 3.9Å; F151-H206 AromaticContact CD2-NE2 3.74Å
152	Y	98.6	Very high	97	Very high	43 Å²	43	30.7 Å²	30.7	17%	0.169	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-157	139.1	172	-174	-78.9	0	0	0	109.1	T119 R122 R123 V124 W182 F184 H206	T119-Y152 PolarHBondContact O-OH 3.35Å; R122-Y152 HydrophobicContact CB-CD1 3.86Å; R122-Y152 HydrophobicContact CB-CE1 3.75Å; R122-Y152 HydrophobicContact CG-CD1 3.61Å; R122-Y152 HydrophobicContact CG-CE1 3.93Å; R122-Y152 HydrophobicContact CG-CG 4.29Å; R122-Y152 VanDerWaalsContact O-CD1 3.3Å; R122-Y152 WeakPolarHBondContact O-CD1 3.47Å; R123-Y152 CarbonylContact C-O 3.45Å; R123-Y152 VanDerWaalsContact CA-O 3.31Å; R123-Y152 WeakPolarHBondContact CA-O 3.35Å; V124-Y152 PolarHBondContact N-O 2.67Å; V124-Y152 PolarHBondContact O-N 2.79Å; Y152-W182 WeakPolarHBondContact CD2-O 3.46Å; Y152-W182 HydrophobicContact CE2-CE3 4.11Å; Y152-F184 HydrophobicContact CD2-CD2 4.07Å; Y152-F184 AromaticContact CD2-CE2 3.5Å; Y152-F184 HydrophobicContact CD2-CE2 3.5Å; Y152-F184 AromaticContact CE2-CE2 3.85Å; Y152-F184 HydrophobicContact CE2-CE2 3.85Å; Y152-F184 HydrophobicContact CG-CE2 4.35Å; Y152-H206 PolarHBondContact O-CE1 2.97Å
153	P	98.4	Very high	97.5	Very high	36 Å²	36	34.6 Å²	34.6	23%	0.234	19%	0.191	C	C	.	.	S	Bend	cis	-75.3	-178.4	3.8	33.2	-37.9	0	0	0	113.2	F151 S155 H206 P207	F151-P153 WeakPolarHBondContact CD2-O 3.08Å; P153-S155 VanDerWaalsContact C-N 3.26Å; P153-S155 PolarHBondContact O-N 2.91Å; P153-H206 PolarHBondContact O-NE2 2.83Å; P153-P207 HydrophobicContact CG-CG 4.33Å
154	G	98	Very high	97.7	Very high	17 Å²	17	34.8 Å²	34.8	18%	0.175	21%	0.206	C	C	.	.	S	Bend	trans	-72.9	-12.6	-177.1	0	0	0	0	0	115.4	I156 L176 F184	G154-I156 PolarHBondContact O-N 3.17Å; G154-L176 WeakPolarHBondContact O-CD1 3.33Å; G154-F184 VanDerWaalsContact N-CE2 3.32Å
155	S	97.6	Very high	97.7	Very high	70 Å²	70	41.8 Å²	41.8	49%	0.49	24%	0.239	S	C	.	.			trans	-72.1	111.7	178.3	57.4	0	0	0	0	110.5	P153 H206 P207	P153-S155 VanDerWaalsContact C-N 3.26Å; P153-S155 PolarHBondContact O-N 2.91Å; S155-H206 PolarHBondContact O-CD2 2.84Å; S155-H206 VanDerWaalsContact O-CD2 3.28Å; S155-P207 VanDerWaalsContact O-CD 3.29Å; S155-P207 WeakPolarHBondContact O-CD 3.3Å
156	I	98.3	Very high	97.7	Very high	47 Å²	47	45.6 Å²	45.6	24%	0.241	26%	0.257	C	S	.	.			trans	-147.1	146.6	-176.4	-164.7	164.8	0	0	0	110.2	V148 F151 G154 V158 T186 V204 E205 H206	V148-I156 HydrophobicContact CG1-CD1 3.61Å; F151-I156 HydrophobicContact CD1-CD1 3.94Å; F151-I156 HydrophobicContact CD2-CB 4.47Å; F151-I156 HydrophobicContact CD2-CD1 3.84Å; F151-I156 HydrophobicContact CE1-CD1 3.77Å; F151-I156 HydrophobicContact CE2-CB 3.9Å; F151-I156 HydrophobicContact CE2-CD1 3.67Å; F151-I156 HydrophobicContact CE2-CG1 4.4Å; F151-I156 HydrophobicContact CE2-CG2 3.79Å; F151-I156 HydrophobicContact CG-CD1 3.98Å; F151-I156 HydrophobicContact CZ-CB 4.32Å; F151-I156 HydrophobicContact CZ-CD1 3.64Å; F151-I156 HydrophobicContact CZ-CG2 3.84Å; G154-I156 PolarHBondContact O-N 3.17Å; I156-V158 HydrophobicContact CD1-CG2 4.33Å; I156-V158 HydrophobicContact CG1-CG2 4.15Å; I156-T186 HydrophobicContact CG2-CG2 4.45Å; I156-V204 HydrophobicContact CD1-CG1 3.71Å; I156-V204 HydrophobicContact CG1-CG1 3.92Å; I156-E205 WeakPolarHBondContact CG1-O 3.39Å; I156-H206 HydrophobicContact CD1-CB 4.49Å; I156-H206 HydrophobicContact CG1-CB 4.26Å
157	E	98.2	Very high	97.7	Very high	88 Å²	88	48 Å²	48	41%	0.411	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.9	169.9	-171.1	178.8	157.7	0	0	109.2	R159 V204 E205	E157-R159 HydrophobicContact CG-CG 4.31Å; E157-R159 WeakPolarHBondContact OE1-CD 3.43Å; E157-R159 IonicContact OE1-CZ 3.39Å; E157-R159 IonicContact OE1-NE 3.81Å; E157-R159 IonicContact OE1-NH1 3.78Å; E157-R159 PolarHBondContact OE1-NH1 2.75Å; E157-R159 IonicContact OE2-NH1 3.41Å; E157-V204 WeakPolarHBondContact O-CA 3.31Å; E157-E205 HydrophobicContact CB-CB 4.26Å; E157-E205 PolarHBondContact N-O 3.2Å; E157-E205 PolarHBondContact O-N 2.76Å
158	V	98.4	Very high	97.6	Very high	27 Å²	27	54 Å²	54	16%	0.164	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.6	-178.6	-177	0	0	0	0	108.5	V148 I156 T186 V188 C202 Q203 V204	V148-V158 HydrophobicContact CG2-CG1 4.35Å; V148-V158 HydrophobicContact CG2-CG2 4.08Å; I156-V158 HydrophobicContact CD1-CG2 4.33Å; I156-V158 HydrophobicContact CG1-CG2 4.15Å; V158-T186 HydrophobicContact CG2-CG2 4.29Å; V158-V188 HydrophobicContact CB-CB 4.38Å; V158-V188 HydrophobicContact CB-CG2 3.76Å; V158-V188 HydrophobicContact CG1-CB 3.81Å; V158-V188 HydrophobicContact CG1-CG1 4.24Å; V158-V188 HydrophobicContact CG1-CG2 3.69Å; V158-V188 HydrophobicContact CG2-CG2 4.27Å; V158-C202 VanDerWaalsContact CG1-SG 3.59Å; V158-Q203 CarbonylContact C-O 3.55Å; V158-Q203 WeakPolarHBondContact CA-O 3.34Å; V158-V204 HydrophobicContact CG1-CG2 4.25Å; V158-V204 HydrophobicContact CG2-CG1 4.41Å; V158-V204 HydrophobicContact CG2-CG2 4.23Å
159	R	98.4	Very high	97.4	Very high	56 Å²	56	57.7 Å²	57.7	21%	0.211	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.2	-176.4	-65.2	-172.7	-66.5	-129.9	6	111.1	E157 F161 E166 Q203 E205	E157-R159 HydrophobicContact CG-CG 4.31Å; E157-R159 WeakPolarHBondContact OE1-CD 3.43Å; E157-R159 IonicContact OE1-CZ 3.39Å; E157-R159 IonicContact OE1-NE 3.81Å; E157-R159 IonicContact OE1-NH1 3.78Å; E157-R159 PolarHBondContact OE1-NH1 2.75Å; E157-R159 IonicContact OE2-NH1 3.41Å; R159-F161 HydrophobicContact CB-CD2 4.45Å; R159-F161 HydrophobicContact CB-CE2 3.72Å; R159-F161 HydrophobicContact CB-CZ 4.41Å; R159-E166 WeakPolarHBondContact CD-OE1 3.4Å; R159-Q203 PolarHBondContact N-O 3.49Å; R159-Q203 PolarHBondContact O-N 3.15Å; R159-E205 IonicContact CZ-OE1 2.98Å; R159-E205 IonicContact NH1-OE1 3.47Å; R159-E205 IonicContact NH2-OE1 2.76Å; R159-E205 PolarHBondContact NH2-OE1 2.73Å
160	W	98.4	Very high	97.2	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	142.1	172.2	-85.3	106.9	0	0	0	110.7	V130 L144 C146 E166 E167 V171 V188 L190 T201 C202	V130-W160 HydrophobicContact CG1-CH2 3.58Å; V130-W160 HydrophobicContact CG1-CZ3 4.19Å; V130-W160 HydrophobicContact CG2-CH2 4.46Å; L144-W160 HydrophobicContact CB-CH2 3.74Å; L144-W160 HydrophobicContact CB-CZ2 4.05Å; L144-W160 HydrophobicContact CB-CZ3 4.45Å; C146-W160 HydrophobicContact CB-CH2 4.24Å; C146-W160 HydrophobicContact CB-CZ2 3.57Å; W160-E166 CarbonylContact O-C 3.57Å; W160-E166 WeakPolarHBondContact O-CA 3.39Å; W160-E167 HydrophobicContact CB-CB 4.27Å; W160-E167 PolarHBondContact O-N 2.82Å; W160-V171 HydrophobicContact CB-CG2 4.34Å; W160-V188 PolarHBondContact NE1-O 2.61Å; W160-L190 HydrophobicContact CB-CD2 4.26Å; W160-L190 HydrophobicContact CD2-CB 3.96Å; W160-L190 HydrophobicContact CD2-CD2 4.16Å; W160-L190 HydrophobicContact CE3-CD2 4.21Å; W160-L190 HydrophobicContact CG-CB 3.95Å; W160-L190 HydrophobicContact CG-CD2 4.22Å; W160-L190 HydrophobicContact CZ2-CB 4.39Å; W160-T201 CarbonylContact C-O 3.56Å; W160-C202 HydrophobicContact CE3-CB 4.4Å; W160-C202 HydrophobicContact CH2-CB 4.39Å; W160-C202 HydrophobicContact CZ3-CB 4.25Å
161	F	98.1	Very high	97.1	Very high	40 Å²	40	59 Å²	59	18%	0.175	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.8	171.7	-64.5	-102.9	0	0	0	110	R159 Q165 E166 Y200 T201 Q203	R159-F161 HydrophobicContact CB-CD2 4.45Å; R159-F161 HydrophobicContact CB-CE2 3.72Å; R159-F161 HydrophobicContact CB-CZ 4.41Å; F161-Q165 CarbonylContact C-O 3.36Å; F161-Q165 WeakPolarHBondContact CA-O 3.39Å; F161-E166 HydrophobicContact CD1-CB 4.09Å; F161-E166 HydrophobicContact CE1-CB 3.81Å; F161-E166 HydrophobicContact CE1-CG 4.31Å; F161-E166 HydrophobicContact CZ-CB 4.31Å; F161-E166 HydrophobicContact CZ-CG 4.31Å; F161-Y200 CarbonylContact O-C 3.52Å; F161-Y200 VanDerWaalsContact O-CA 3.27Å; F161-Y200 WeakPolarHBondContact O-CA 3.44Å; F161-T201 PolarHBondContact N-O 3.05Å; F161-T201 PolarHBondContact O-N 3.48Å; F161-Q203 HydrophobicContact CD2-CB 4.11Å; F161-Q203 HydrophobicContact CE2-CB 3.71Å; F161-Q203 HydrophobicContact CE2-CG 4.44Å; F161-Q203 VanDerWaalsContact CE2-OE1 3.24Å
162	R	96.3	Very high	97	Very high	60 Å²	60	63 Å²	63	23%	0.226	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.3	170.3	-178.5	-173.4	-172.9	162	6.7	108.5	G164 Q165 E167 E198 Y200	R162-G164 PolarHBondContact O-N 2.96Å; R162-G164 VanDerWaalsContact O-N 3.09Å; R162-Q165 PolarHBondContact N-O 3.28Å; R162-Q165 PolarHBondContact O-N 3.15Å; R162-E167 HydrophobicContact CB-CG 3.56Å; R162-E167 WeakPolarHBondContact CB-OE1 3.43Å; R162-E167 WeakPolarHBondContact CD-OE1 3.35Å; R162-E198 IonicContact CZ-OE1 2.92Å; R162-E198 IonicContact CZ-OE2 3.01Å; R162-E198 IonicContact NE-OE1 3.66Å; R162-E198 PolarHBondContact NE-OE1 3.3Å; R162-E198 IonicContact NE-OE2 3.88Å; R162-E198 VanDerWaalsContact NH2-CD 3.29Å; R162-E198 IonicContact NH2-OE1 2.94Å; R162-E198 PolarHBondContact NH2-OE1 2.86Å; R162-E198 IonicContact NH2-OE2 3.82Å; R162-E198 PolarHBondContact NH2-OE2 2.85Å; R162-E198 VanDerWaalsContact NH2-OE2 3.16Å; R162-Y200 HydrophobicContact CB-CD1 4.2Å; R162-Y200 HydrophobicContact CB-CE1 4.1Å; R162-Y200 HydrophobicContact CG-CD1 4.22Å; R162-Y200 HydrophobicContact CG-CE1 3.76Å; R162-Y200 PolarHBondContact NE-OH 2.89Å; R162-Y200 PolarHBondContact NH2-OH 2.93Å
163	N	95.1	Very high	96.9	Very high	97 Å²	97	64 Å²	64	52%	0.519	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	35.8	-176.8	-56.2	-35.4	0	0	0	113	V199	N163-V199 PolarHBondContact N-O 2.8Å; N163-V199 PolarHBondContact OD1-N 2.81Å
164	G	94.1	Very high	96.8	Very high	61 Å²	61	65.4 Å²	65.4	63%	0.629	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-3.7	-179.4	0	0	0	0	0	116	R162	R162-G164 PolarHBondContact O-N 2.96Å; R162-G164 VanDerWaalsContact O-N 3.09Å
165	Q	96.8	Very high	96.8	Very high	148 Å²	148	66.2 Å²	66.2	69%	0.692	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.7	174	-65.8	-172.4	-16.5	0	0	110.8	F161 R162 E167	F161-Q165 CarbonylContact C-O 3.36Å; F161-Q165 WeakPolarHBondContact CA-O 3.39Å; R162-Q165 PolarHBondContact N-O 3.28Å; R162-Q165 PolarHBondContact O-N 3.15Å; Q165-E167 PolarHBondContact O-N 3.39Å
166	E	97.8	Very high	96.8	Very high	88 Å²	88	66.8 Å²	66.8	41%	0.411	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.4	179.5	-168.3	-171.3	178.6	0	0	110.7	R159 W160 F161 K168	R159-E166 WeakPolarHBondContact CD-OE1 3.4Å; W160-E166 CarbonylContact O-C 3.57Å; W160-E166 WeakPolarHBondContact O-CA 3.39Å; F161-E166 HydrophobicContact CD1-CB 4.09Å; F161-E166 HydrophobicContact CE1-CB 3.81Å; F161-E166 HydrophobicContact CE1-CG 4.31Å; F161-E166 HydrophobicContact CZ-CB 4.31Å; F161-E166 HydrophobicContact CZ-CG 4.31Å; E166-K168 HydrophobicContact CG-CG 4.5Å; E166-K168 WeakPolarHBondContact OE1-CE 3.49Å; E166-K168 IonicContact OE1-NZ 3.16Å; E166-K168 WeakPolarHBondContact OE2-CE 3.29Å; E166-K168 IonicContact OE2-NZ 3.67Å; E166-K168 PolarHBondContact OE2-NZ 2.7Å
167	E	96.8	Very high	96.8	Very high	49 Å²	49	67.5 Å²	67.5	23%	0.229	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.3	177.3	-70.3	-70.8	-174.9	0	0	109.8	W160 R162 Q165 V171 L190	W160-E167 HydrophobicContact CB-CB 4.27Å; W160-E167 PolarHBondContact O-N 2.82Å; R162-E167 HydrophobicContact CB-CG 3.56Å; R162-E167 WeakPolarHBondContact CB-OE1 3.43Å; R162-E167 WeakPolarHBondContact CD-OE1 3.35Å; Q165-E167 PolarHBondContact O-N 3.39Å; E167-V171 VanDerWaalsContact O-CG2 3.32Å; E167-V171 WeakPolarHBondContact O-CG2 3.24Å; E167-L190 HydrophobicContact CB-CD1 4.1Å; E167-L190 HydrophobicContact CB-CD2 4.47Å
168	K	96.3	Very high	96.8	Very high	150 Å²	150	70.6 Å²	70.6	65%	0.652	40%	0.399	S	S	*	.			trans	-114.1	-30.2	176.2	-61.5	-174.7	-179.6	179.8	0	112.4	E166	E166-K168 HydrophobicContact CG-CG 4.5Å; E166-K168 WeakPolarHBondContact OE1-CE 3.49Å; E166-K168 IonicContact OE1-NZ 3.16Å; E166-K168 WeakPolarHBondContact OE2-CE 3.29Å; E166-K168 IonicContact OE2-NZ 3.67Å; E166-K168 PolarHBondContact OE2-NZ 2.7Å
169	A	95.4	Very high	96.7	Very high	76 Å²	76	72.1 Å²	72.1	63%	0.628	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	135.8	177.7	0	0	0	0	0	110.1	V171	A169-V171 PolarHBondContact O-N 3.05Å
170	G	92.7	Very high	96.6	Very high	35 Å²	35	73.2 Å²	73.2	36%	0.361	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	9.8	-179.9	0	0	0	0	0	114.7	E191	G170-E191 PolarHBondContact O-N 2.99Å
171	V	97.2	Very high	96.6	Very high	50 Å²	50	77.7 Å²	77.7	30%	0.303	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.1	173.3	179.9	0	0	0	0	110.2	W160 E167 A169 V188 M189 L190	W160-V171 HydrophobicContact CB-CG2 4.34Å; E167-V171 VanDerWaalsContact O-CG2 3.32Å; E167-V171 WeakPolarHBondContact O-CG2 3.24Å; A169-V171 PolarHBondContact O-N 3.05Å; V171-V188 HydrophobicContact CG1-CG1 3.62Å; V171-M189 CarbonylContact C-O 3.59Å; V171-M189 VanDerWaalsContact CA-O 3.26Å; V171-M189 WeakPolarHBondContact CA-O 3.45Å; V171-L190 HydrophobicContact CG2-CD1 3.73Å
172	V	96.4	Very high	96.6	Very high	83 Å²	83	82.3 Å²	82.3	50%	0.503	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.8	178.5	-177.1	0	0	0	0	109.2	M189	V172-M189 HydrophobicContact CB-CE 4.2Å; V172-M189 HydrophobicContact CG1-CE 3.97Å; V172-M189 PolarHBondContact N-O 2.89Å; V172-M189 PolarHBondContact O-N 2.69Å
173	S	96.9	Very high	96.7	Very high	64 Å²	64	80.4 Å²	80.4	45%	0.448	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146.6	177.9	178.5	0	0	0	0	111.1	G175 T186 L187	S173-G175 PolarHBondContact O-N 2.71Å; S173-G175 PolarHBondContact OG-N 3.02Å; S173-T186 PolarHBondContact OG-OG1 2.64Å; S173-L187 WeakPolarHBondContact CA-O 3.43Å
174	T	95.8	Very high	96.8	Very high	66 Å²	66	77 Å²	77	41%	0.405	45%	0.451	S	S	.	.			trans	-70.3	-12.2	167.9	53.6	0	0	0	0	113.2	L187 M189	T174-L187 HydrophobicContact CG2-CB 3.78Å; T174-L187 HydrophobicContact CG2-CD1 4.01Å; T174-L187 HydrophobicContact CG2-CG 4.49Å; T174-L187 PolarHBondContact N-O 2.98Å; T174-L187 PolarHBondContact OG1-N 3.08Å; T174-M189 HydrophobicContact CG2-CE 4.32Å
175	G	96.7	Very high	97.1	Very high	34 Å²	34	77.1 Å²	77.1	35%	0.351	44%	0.435	S	S	.	.			trans	72.5	-177.6	-162.9	0	0	0	0	0	111.7	S173 T186	S173-G175 PolarHBondContact O-N 2.71Å; S173-G175 PolarHBondContact OG-N 3.02Å; G175-T186 PolarHBondContact O-OG1 3.39Å
176	L	97.9	Very high	97.1	Very high	83 Å²	83	70.4 Å²	70.4	44%	0.435	40%	0.404	S	S	.	.			trans	-78.4	121.1	-176.9	-172.2	71	0	0	0	111	F151 G154 F184	F151-L176 HydrophobicContact CE2-CD1 3.86Å; F151-L176 HydrophobicContact CZ-CD1 3.79Å; G154-L176 WeakPolarHBondContact O-CD1 3.33Å; L176-F184 HydrophobicContact CD1-CB 3.7Å; L176-F184 HydrophobicContact CD1-CD1 3.76Å; L176-F184 HydrophobicContact CD1-CG 3.93Å; L176-F184 HydrophobicContact CD2-CD1 3.68Å; L176-F184 HydrophobicContact CD2-CE1 3.75Å; L176-F184 HydrophobicContact CD2-CG 4.46Å; L176-F184 HydrophobicContact CG-CB 4.44Å; L176-F184 HydrophobicContact CG-CD1 3.6Å; L176-F184 HydrophobicContact CG-CE1 4.18Å; L176-F184 HydrophobicContact CG-CG 4.29Å
177	I	98.2	Very high	97.2	Very high	62 Å²	62	68.2 Å²	68.2	32%	0.318	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.4	178	-59.4	167.8	0	0	0	109	F184 Q185	I177-F184 VanDerWaalsContact O-CA 3.25Å; I177-F184 WeakPolarHBondContact O-CA 3.48Å; I177-Q185 HydrophobicContact CB-CG 3.7Å; I177-Q185 WeakPolarHBondContact CB-O 3.38Å; I177-Q185 HydrophobicContact CD1-CG 4.2Å; I177-Q185 HydrophobicContact CG2-CG 3.92Å; I177-Q185 PolarHBondContact N-O 3.4Å; I177-Q185 PolarHBondContact O-N 3.01Å
178	Q	98.1	Very high	97.2	Very high	152 Å²	152	66.2 Å²	66.2	71%	0.71	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	125	174.5	-50.5	-162.1	-8	0	0	110.2	F184	Q178-F184 HydrophobicContact CB-CD1 4.44Å; Q178-F184 HydrophobicContact CB-CE1 4.39Å; Q178-F184 HydrophobicContact CG-CD1 3.92Å; Q178-F184 HydrophobicContact CG-CE1 3.61Å
179	N	97.6	Very high	97.3	Very high	60 Å²	60	60.8 Å²	60.8	32%	0.321	36%	0.363	S	S	.	.			trans	-84.2	-18.3	-175.8	-65	-25.1	0	0	0	113.6	D181 T183 Q185	N179-D181 VanDerWaalsContact C-N 3.34Å; N179-D181 VanDerWaalsContact CB-OD1 3.24Å; N179-D181 WeakPolarHBondContact CB-OD1 3.48Å; N179-T183 PolarHBondContact N-O 3.09Å; N179-T183 PolarHBondContact ND2-OG1 2.92Å; N179-Q185 PolarHBondContact OD1-NE2 2.87Å
180	G	96.9	Very high	97.4	Very high	78 Å²	78	57.3 Å²	57.3	80%	0.804	33%	0.334	S	S	*	.	S	Bend	trans	86.7	-1.6	-175.2	0	0	0	0	0	114.8
181	D	97.7	Very high	97.5	Very high	95 Å²	95	61 Å²	61	51%	0.508	34%	0.342	S	S	.	.	S	Bend	trans	-112.7	22.6	-179.7	69.3	-9	0	0	0	113.1	N179 T183	N179-D181 VanDerWaalsContact C-N 3.34Å; N179-D181 VanDerWaalsContact CB-OD1 3.24Å; N179-D181 WeakPolarHBondContact CB-OD1 3.48Å; D181-T183 VanDerWaalsContact C-N 3.28Å; D181-T183 PolarHBondContact O-N 2.94Å; D181-T183 WeakPolarHBondContact OD1-CB 3.05Å; D181-T183 PolarHBondContact OD1-N 2.82Å; D181-T183 PolarHBondContact OD1-OG1 3.3Å; D181-T183 PolarHBondContact OD2-OG1 3.13Å
182	W	97.5	Very high	97.3	Very high	138 Å²	138	59.2 Å²	59.2	52%	0.523	33%	0.331	S	S	.	.	S	Bend	trans	64.7	28	-173.4	-61.7	66.7	0	0	0	114.4	T119 Y152	T119-W182 HydrophobicContact CG2-CH2 3.78Å; T119-W182 HydrophobicContact CG2-CZ3 3.89Å; Y152-W182 WeakPolarHBondContact CD2-O 3.46Å; Y152-W182 HydrophobicContact CE2-CE3 4.11Å
183	T	98.4	Very high	97	Very high	20 Å²	20	57.4 Å²	57.4	12%	0.123	32%	0.32	C	S	.	.			trans	-128.3	163	167.2	73	0	0	0	0	111.6	F151 N179 D181	F151-T183 CarbonylContact O-C 3.5Å; F151-T183 WeakPolarHBondContact O-CA 3.37Å; N179-T183 PolarHBondContact N-O 3.09Å; N179-T183 PolarHBondContact ND2-OG1 2.92Å; D181-T183 VanDerWaalsContact C-N 3.28Å; D181-T183 PolarHBondContact O-N 2.94Å; D181-T183 WeakPolarHBondContact OD1-CB 3.05Å; D181-T183 PolarHBondContact OD1-N 2.82Å; D181-T183 PolarHBondContact OD1-OG1 3.3Å; D181-T183 PolarHBondContact OD2-OG1 3.13Å
184	F	98.7	Very high	96.7	Very high	25 Å²	25	54.5 Å²	54.5	11%	0.11	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	162.4	176.7	-60.6	-91.8	0	0	0	111	G150 F151 Y152 G154 L176 I177 Q178	G150-F184 PolarHBondContact N-O 3.14Å; F151-F184 WeakPolarHBondContact CD1-O 3.49Å; F151-F184 HydrophobicContact CD2-CB 4.04Å; F151-F184 HydrophobicContact CE1-CB 4.24Å; F151-F184 HydrophobicContact CE2-CB 3.6Å; F151-F184 HydrophobicContact CE2-CG 4.42Å; F151-F184 HydrophobicContact CZ-CB 3.71Å; F151-F184 PolarHBondContact N-O 2.9Å; F151-F184 WeakPolarHBondContact O-CD2 3.37Å; F151-F184 PolarHBondContact O-N 3.18Å; Y152-F184 HydrophobicContact CD2-CD2 4.07Å; Y152-F184 AromaticContact CD2-CE2 3.5Å; Y152-F184 HydrophobicContact CD2-CE2 3.5Å; Y152-F184 AromaticContact CE2-CE2 3.85Å; Y152-F184 HydrophobicContact CE2-CE2 3.85Å; Y152-F184 HydrophobicContact CG-CE2 4.35Å; G154-F184 VanDerWaalsContact N-CE2 3.32Å; L176-F184 HydrophobicContact CD1-CB 3.7Å; L176-F184 HydrophobicContact CD1-CD1 3.76Å; L176-F184 HydrophobicContact CD1-CG 3.93Å; L176-F184 HydrophobicContact CD2-CD1 3.68Å; L176-F184 HydrophobicContact CD2-CE1 3.75Å; L176-F184 HydrophobicContact CD2-CG 4.46Å; L176-F184 HydrophobicContact CG-CB 4.44Å; L176-F184 HydrophobicContact CG-CD1 3.6Å; L176-F184 HydrophobicContact CG-CE1 4.18Å; L176-F184 HydrophobicContact CG-CG 4.29Å; I177-F184 VanDerWaalsContact O-CA 3.25Å; I177-F184 WeakPolarHBondContact O-CA 3.48Å; Q178-F184 HydrophobicContact CB-CD1 4.44Å; Q178-F184 HydrophobicContact CB-CE1 4.39Å; Q178-F184 HydrophobicContact CG-CD1 3.92Å; Q178-F184 HydrophobicContact CG-CE1 3.61Å
185	Q	98.5	Very high	96.3	Very high	64 Å²	64	59 Å²	59	30%	0.299	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.9	168	65.9	-179.1	-59.8	0	0	111.1	V148 I177 N179	V148-Q185 CarbonylContact O-C 3.53Å; V148-Q185 VanDerWaalsContact O-CA 3.25Å; V148-Q185 WeakPolarHBondContact O-CA 3.09Å; I177-Q185 HydrophobicContact CB-CG 3.7Å; I177-Q185 WeakPolarHBondContact CB-O 3.38Å; I177-Q185 HydrophobicContact CD1-CG 4.2Å; I177-Q185 HydrophobicContact CG2-CG 3.92Å; I177-Q185 PolarHBondContact N-O 3.4Å; I177-Q185 PolarHBondContact O-N 3.01Å; N179-Q185 PolarHBondContact OD1-NE2 2.87Å
186	T	98.5	Very high	95.8	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.043	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	144.6	171.7	-174.9	0	0	0	0	109.7	V148 F151 I156 V158 S173 G175	V148-T186 HydrophobicContact CB-CG2 4.02Å; V148-T186 PolarHBondContact N-O 3.11Å; V148-T186 PolarHBondContact O-N 2.84Å; F151-T186 HydrophobicContact CE1-CG2 4.26Å; F151-T186 HydrophobicContact CZ-CG2 4.18Å; I156-T186 HydrophobicContact CG2-CG2 4.45Å; V158-T186 HydrophobicContact CG2-CG2 4.29Å; S173-T186 PolarHBondContact OG-OG1 2.64Å; G175-T186 PolarHBondContact O-OG1 3.39Å
187	L	98	Very high	95.2	Very high	42 Å²	42	60.4 Å²	60.4	22%	0.22	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.3	173.1	-68.8	147.9	0	0	0	108	V145 S173 T174	V145-L187 HydrophobicContact CG1-CD2 3.48Å; V145-L187 VanDerWaalsContact CG1-CD2 3.48Å; S173-L187 WeakPolarHBondContact CA-O 3.43Å; T174-L187 HydrophobicContact CG2-CB 3.78Å; T174-L187 HydrophobicContact CG2-CD1 4.01Å; T174-L187 HydrophobicContact CG2-CG 4.49Å; T174-L187 PolarHBondContact N-O 2.98Å; T174-L187 PolarHBondContact OG1-N 3.08Å
188	V	98.3	Very high	94.9	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	113.6	175.7	-174.3	0	0	0	0	108.8	C146 V158 W160 V171	C146-V188 WeakPolarHBondContact CB-O 3.43Å; C146-V188 PolarHBondContact N-O 2.95Å; C146-V188 PolarHBondContact O-N 2.94Å; V158-V188 HydrophobicContact CB-CB 4.38Å; V158-V188 HydrophobicContact CB-CG2 3.76Å; V158-V188 HydrophobicContact CG1-CB 3.81Å; V158-V188 HydrophobicContact CG1-CG1 4.24Å; V158-V188 HydrophobicContact CG1-CG2 3.69Å; V158-V188 HydrophobicContact CG2-CG2 4.27Å; W160-V188 PolarHBondContact NE1-O 2.61Å; V171-V188 HydrophobicContact CG1-CG1 3.62Å
189	M	97.4	Very high	94.8	Very high	37 Å²	37	52.4 Å²	52.4	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.5	-168.8	-59.9	164.7	-74.3	0	0	109.9	L143 L144 V145 V171 V172 T174	L143-M189 HydrophobicContact CD1-CB 3.83Å; L143-M189 HydrophobicContact CD2-CB 4.1Å; L143-M189 HydrophobicContact CD2-CG 4.19Å; L143-M189 HydrophobicContact CD2-SD 3.87Å; L143-M189 HydrophobicContact CG-CB 3.91Å; L143-M189 HydrophobicContact CG-CG 4.42Å; L144-M189 CarbonylContact O-C 3.48Å; L144-M189 WeakPolarHBondContact O-CA 3.13Å; V145-M189 HydrophobicContact CG1-CG 4.32Å; V145-M189 HydrophobicContact CG2-CG 4.24Å; V171-M189 CarbonylContact C-O 3.59Å; V171-M189 VanDerWaalsContact CA-O 3.26Å; V171-M189 WeakPolarHBondContact CA-O 3.45Å; V172-M189 HydrophobicContact CB-CE 4.2Å; V172-M189 HydrophobicContact CG1-CE 3.97Å; V172-M189 PolarHBondContact N-O 2.89Å; V172-M189 PolarHBondContact O-N 2.69Å; T174-M189 HydrophobicContact CG2-CE 4.32Å
190	L	97.4	Very high	94.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.1	176	173.5	67.2	0	0	0	109.5	L143 L144 W160 E167 V171 T192 Y200	L143-L190 WeakPolarHBondContact CA-O 3.44Å; L144-L190 PolarHBondContact N-O 2.83Å; L144-L190 PolarHBondContact O-N 2.79Å; W160-L190 HydrophobicContact CB-CD2 4.26Å; W160-L190 HydrophobicContact CD2-CB 3.96Å; W160-L190 HydrophobicContact CD2-CD2 4.16Å; W160-L190 HydrophobicContact CE3-CD2 4.21Å; W160-L190 HydrophobicContact CG-CB 3.95Å; W160-L190 HydrophobicContact CG-CD2 4.22Å; W160-L190 HydrophobicContact CZ2-CB 4.39Å; E167-L190 HydrophobicContact CB-CD1 4.1Å; E167-L190 HydrophobicContact CB-CD2 4.47Å; V171-L190 HydrophobicContact CG2-CD1 3.73Å; L190-T192 HydrophobicContact CD2-CG2 4.45Å; L190-T192 HydrophobicContact CG-CG2 4.41Å; L190-Y200 HydrophobicContact CD2-CD1 3.71Å; L190-Y200 HydrophobicContact CD2-CE1 3.96Å
191	E	95.3	Very high	94.8	Very high	112 Å²	112	46.9 Å²	46.9	52%	0.523	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.4	169.2	-171.5	178.6	175.3	0	0	109.8	H141 L143 G170	H141-E191 IonicContact ND1-OE1 3.7Å; L143-E191 HydrophobicContact CD1-CB 4.23Å; G170-E191 PolarHBondContact O-N 2.99Å
192	T	92.2	Very high	94.8	Very high	12 Å²	12	42.4 Å²	42.4	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	171	-177.9	-174.7	0	0	0	0	111.7	N142 L144 L190 P194 Y200	N142-T192 PolarHBondContact N-O 2.83Å; N142-T192 PolarHBondContact O-N 2.87Å; L144-T192 HydrophobicContact CD1-CG2 4Å; L144-T192 HydrophobicContact CG-CG2 4.12Å; L190-T192 HydrophobicContact CD2-CG2 4.45Å; L190-T192 HydrophobicContact CG-CG2 4.41Å; T192-P194 HydrophobicContact CG2-CG 4.03Å; T192-Y200 HydrophobicContact CG2-CE1 3.84Å; T192-Y200 PolarHBondContact OG1-OH 2.98Å
193	V	91.6	Very high	94.9	Very high	46 Å²	46	37.4 Å²	37.4	28%	0.279	21%	0.205	S	C	.	.			trans	-119.1	89.3	172.1	-177.7	0	0	0	0	107.7	Q139 R195	Q139-V193 VanDerWaalsContact C-CG1 3.46Å; V193-R195 PolarHBondContact O-N 3.47Å
194	P	89.2	Confident	94.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.013	20%	0.199	C	C	.	.			trans	-65.1	131.7	-172	-19.6	30.7	0	0	0	112.4	L138 Q139 N142 T192 Y200 W217 A219	L138-P194 HydrophobicContact CD2-CB 4.06Å; Q139-P194 PolarHBondContact N-O 2.88Å; N142-P194 HydrophobicContact CB-CG 4.31Å; T192-P194 HydrophobicContact CG2-CG 4.03Å; P194-Y200 HydrophobicContact CB-CE2 4.24Å; P194-W217 HydrophobicContact CB-CH2 3.92Å; P194-W217 HydrophobicContact CB-CZ3 3.95Å; P194-W217 HydrophobicContact CG-CH2 4.03Å; P194-W217 HydrophobicContact CG-CZ3 4.17Å; P194-A219 HydrophobicContact CB-CB 3.97Å
195	R	87.6	Confident	94.9	Very high	162 Å²	162	38.5 Å²	38.5	61%	0.611	21%	0.209	S	C	*	.			trans	-106.3	150.3	174	-58.2	179.2	178.7	-177.2	0.3	110.6	V193 G197 E198 A219	V193-R195 PolarHBondContact O-N 3.47Å; R195-G197 PolarHBondContact O-N 3.25Å; R195-E198 HydrophobicContact CB-CG 4.05Å; R195-E198 PolarHBondContact N-OE2 2.95Å; R195-E198 WeakPolarHBondContact O-CB 3.49Å; R195-E198 WeakPolarHBondContact O-CG 3.46Å; R195-E198 PolarHBondContact O-N 3.29Å; R195-E198 VanDerWaalsContact O-N 3.14Å; R195-A219 WeakPolarHBondContact O-CB 3.36Å
196	S	86.3	Confident	94.9	Very high	84 Å²	84	36 Å²	36	59%	0.587	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	130.4	-179.7	-176.2	0	0	0	0	111.1
197	G	86	Confident	94.9	Very high	62 Å²	62	38.3 Å²	38.3	64%	0.639	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	-9.3	179.6	0	0	0	0	0	114.7	R195 A219	R195-G197 PolarHBondContact O-N 3.25Å; G197-A219 PolarHBondContact N-O 2.81Å; G197-A219 VanDerWaalsContact N-O 3.13Å
198	E	92.6	Very high	94.8	Very high	23 Å²	23	36.8 Å²	36.8	11%	0.107	21%	0.205	C	C	.	.			trans	-71.4	144.8	173.3	-64.7	-176.2	149.2	0	0	111.9	R162 R195 Y200 A219	R162-E198 IonicContact CZ-OE1 2.92Å; R162-E198 IonicContact CZ-OE2 3.01Å; R162-E198 IonicContact NE-OE1 3.66Å; R162-E198 PolarHBondContact NE-OE1 3.3Å; R162-E198 IonicContact NE-OE2 3.88Å; R162-E198 VanDerWaalsContact NH2-CD 3.29Å; R162-E198 IonicContact NH2-OE1 2.94Å; R162-E198 PolarHBondContact NH2-OE1 2.86Å; R162-E198 IonicContact NH2-OE2 3.82Å; R162-E198 PolarHBondContact NH2-OE2 2.85Å; R162-E198 VanDerWaalsContact NH2-OE2 3.16Å; R195-E198 HydrophobicContact CB-CG 4.05Å; R195-E198 PolarHBondContact N-OE2 2.95Å; R195-E198 WeakPolarHBondContact O-CB 3.49Å; R195-E198 WeakPolarHBondContact O-CG 3.46Å; R195-E198 PolarHBondContact O-N 3.29Å; R195-E198 VanDerWaalsContact O-N 3.14Å; E198-Y200 HydrophobicContact CB-CD2 4.4Å; E198-Y200 HydrophobicContact CB-CE2 3.73Å; E198-Y200 PolarHBondContact OE2-OH 2.84Å; E198-A219 HydrophobicContact CB-CB 4.39Å; E198-A219 PolarHBondContact O-N 3.14Å
199	V	94.9	Very high	94.7	Very high	23 Å²	23	37.6 Å²	37.6	14%	0.139	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.7	175.8	-173.3	0	0	0	0	108.3	N163 E216 R218	N163-V199 PolarHBondContact N-O 2.8Å; N163-V199 PolarHBondContact OD1-N 2.81Å; V199-E216 HydrophobicContact CG1-CB 4.25Å; V199-E216 HydrophobicContact CG1-CG 4.21Å; V199-R218 HydrophobicContact CG1-CG 4.23Å; V199-R218 HydrophobicContact CG2-CG 4.15Å
200	Y	96.6	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.3	174.5	-65.5	-97.7	0	0	0	108.3	L144 F161 R162 L190 T192 P194 E198 E216 W217	L144-Y200 HydrophobicContact CD1-CD1 3.64Å; L144-Y200 HydrophobicContact CD1-CD2 3.84Å; L144-Y200 HydrophobicContact CD1-CE1 4.15Å; L144-Y200 HydrophobicContact CD1-CE2 4.35Å; L144-Y200 HydrophobicContact CD1-CG 3.45Å; L144-Y200 VanDerWaalsContact CD1-CG 3.45Å; F161-Y200 CarbonylContact O-C 3.52Å; F161-Y200 VanDerWaalsContact O-CA 3.27Å; F161-Y200 WeakPolarHBondContact O-CA 3.44Å; R162-Y200 HydrophobicContact CB-CD1 4.2Å; R162-Y200 HydrophobicContact CB-CE1 4.1Å; R162-Y200 HydrophobicContact CG-CD1 4.22Å; R162-Y200 HydrophobicContact CG-CE1 3.76Å; R162-Y200 PolarHBondContact NE-OH 2.89Å; R162-Y200 PolarHBondContact NH2-OH 2.93Å; L190-Y200 HydrophobicContact CD2-CD1 3.71Å; L190-Y200 HydrophobicContact CD2-CE1 3.96Å; T192-Y200 HydrophobicContact CG2-CE1 3.84Å; T192-Y200 PolarHBondContact OG1-OH 2.98Å; P194-Y200 HydrophobicContact CB-CE2 4.24Å; E198-Y200 HydrophobicContact CB-CD2 4.4Å; E198-Y200 HydrophobicContact CB-CE2 3.73Å; E198-Y200 PolarHBondContact OE2-OH 2.84Å; Y200-E216 CarbonylContact O-C 3.47Å; Y200-E216 WeakPolarHBondContact O-CA 3.47Å; Y200-W217 AromaticContact CD2-CE3 3.65Å; Y200-W217 HydrophobicContact CD2-CE3 3.65Å; Y200-W217 AromaticContact CD2-CZ3 3.72Å; Y200-W217 HydrophobicContact CD2-CZ3 3.72Å; Y200-W217 HydrophobicContact CE2-CE3 4.41Å; Y200-W217 HydrophobicContact CE2-CZ3 4.02Å; Y200-W217 HydrophobicContact CG-CE3 4.24Å; Y200-W217 PolarHBondContact N-O 3.26Å; Y200-W217 PolarHBondContact O-N 2.76Å
201	T	98.2	Very high	94.6	Very high	22 Å²	22	47.9 Å²	47.9	14%	0.135	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.9	-177.8	-52.2	0	0	0	0	109.2	W160 F161 T214 V215 E216	W160-T201 CarbonylContact C-O 3.56Å; F161-T201 PolarHBondContact N-O 3.05Å; F161-T201 PolarHBondContact O-N 3.48Å; T201-T214 HydrophobicContact CG2-CG2 4.19Å; T201-V215 WeakPolarHBondContact CA-O 3.37Å; T201-E216 HydrophobicContact CG2-CG 4.4Å
202	C	98.3	Very high	94.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122	165	-177.9	0	0	0	0	108.5	V130 C146 V158 W160 T214 V215	V130-C202 HydrophobicContact CG2-CB 3.62Å; C146-C202 HydrophobicContact CB-CB 3.62Å; C146-C202 WeakPolarHBondContact CB-SG 3.08Å; C146-C202 WeakPolarHBondContact SG-CB 3.27Å; C146-C202 CovalentContact SG-SG 2.02Å; C146-C202 PolarHBondContact SG-SG 2.64Å; V158-C202 VanDerWaalsContact CG1-SG 3.59Å; W160-C202 HydrophobicContact CE3-CB 4.4Å; W160-C202 HydrophobicContact CH2-CB 4.39Å; W160-C202 HydrophobicContact CZ3-CB 4.25Å; C202-T214 WeakPolarHBondContact O-CA 3.03Å; C202-V215 PolarHBondContact N-O 3.47Å; C202-V215 PolarHBondContact O-N 2.81Å
203	Q	98.6	Very high	94.9	Very high	34 Å²	34	47.3 Å²	47.3	16%	0.159	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.8	175.7	-174.7	179.4	56.4	0	0	109.5	V158 R159 F161 P212 L213 T214	V158-Q203 CarbonylContact C-O 3.55Å; V158-Q203 WeakPolarHBondContact CA-O 3.34Å; R159-Q203 PolarHBondContact N-O 3.49Å; R159-Q203 PolarHBondContact O-N 3.15Å; F161-Q203 HydrophobicContact CD2-CB 4.11Å; F161-Q203 HydrophobicContact CE2-CB 3.71Å; F161-Q203 HydrophobicContact CE2-CG 4.44Å; F161-Q203 VanDerWaalsContact CE2-OE1 3.24Å; Q203-P212 HydrophobicContact CG-CB 3.65Å; Q203-L213 CarbonylContact C-O 3.51Å; Q203-L213 VanDerWaalsContact CA-O 3.25Å; Q203-L213 WeakPolarHBondContact CA-O 3.29Å; Q203-T214 HydrophobicContact CB-CG2 4.26Å; Q203-T214 HydrophobicContact CG-CG2 4.02Å
204	V	98.6	Very high	95.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.9	-179.1	-179.4	0	0	0	0	109.7	P126 V128 V148 I156 E157 V158 P212 L213	P126-V204 HydrophobicContact CG-CG1 4.15Å; V128-V204 HydrophobicContact CG1-CG2 4.09Å; V128-V204 HydrophobicContact CG2-CB 4.3Å; V128-V204 HydrophobicContact CG2-CG2 3.8Å; V148-V204 HydrophobicContact CG1-CG1 4.16Å; V148-V204 HydrophobicContact CG1-CG2 4.43Å; V148-V204 HydrophobicContact CG2-CG2 3.82Å; I156-V204 HydrophobicContact CD1-CG1 3.71Å; I156-V204 HydrophobicContact CG1-CG1 3.92Å; E157-V204 WeakPolarHBondContact O-CA 3.31Å; V158-V204 HydrophobicContact CG1-CG2 4.25Å; V158-V204 HydrophobicContact CG2-CG1 4.41Å; V158-V204 HydrophobicContact CG2-CG2 4.23Å; V204-P212 CarbonylContact O-C 3.59Å; V204-P212 WeakPolarHBondContact O-CA 3.01Å; V204-L213 HydrophobicContact CB-CB 4.32Å; V204-L213 PolarHBondContact N-O 2.99Å; V204-L213 PolarHBondContact O-N 3.36Å
205	E	98.4	Very high	95.5	Very high	68 Å²	68	51.2 Å²	51.2	32%	0.318	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.3	170.1	-58.4	-170.7	177.8	0	0	109.6	I156 E157 R159 P212	I156-E205 WeakPolarHBondContact CG1-O 3.39Å; E157-E205 HydrophobicContact CB-CB 4.26Å; E157-E205 PolarHBondContact N-O 3.2Å; E157-E205 PolarHBondContact O-N 2.76Å; R159-E205 IonicContact CZ-OE1 2.98Å; R159-E205 IonicContact NH1-OE1 3.47Å; R159-E205 IonicContact NH2-OE1 2.76Å; R159-E205 PolarHBondContact NH2-OE1 2.73Å; E205-P212 HydrophobicContact CG-CB 4.04Å; E205-P212 HydrophobicContact CG-CG 4.04Å
206	H	98.6	Very high	96	Very high	11 Å²	11	48.5 Å²	48.5	5%	0.051	29%	0.29	C	S	.	.			trans	-152.7	141.7	-176.1	-179.3	-104.1	0	0	0	110.4	V124 P126 F151 Y152 P153 S155 I156 S208 V209	V124-H206 PolarHBondContact O-CE1 3.37Å; P126-H206 HydrophobicContact CG-CB 4.35Å; F151-H206 AromaticContact CD2-CD2 3.9Å; F151-H206 AromaticContact CD2-NE2 3.74Å; Y152-H206 PolarHBondContact O-CE1 2.97Å; P153-H206 PolarHBondContact O-NE2 2.83Å; S155-H206 PolarHBondContact O-CD2 2.84Å; S155-H206 VanDerWaalsContact O-CD2 3.28Å; I156-H206 HydrophobicContact CD1-CB 4.49Å; I156-H206 HydrophobicContact CG1-CB 4.26Å; H206-S208 PolarHBondContact CE1-OG 3.24Å; H206-S208 VanDerWaalsContact ND1-CB 3.28Å; H206-S208 WeakPolarHBondContact ND1-CB 3.35Å; H206-S208 PolarHBondContact ND1-N 2.78Å; H206-S208 PolarHBondContact ND1-OG 2.77Å; H206-S208 PolarHBondContact O-N 3.43Å; H206-V209 HydrophobicContact CB-CG2 4.23Å; H206-V209 WeakPolarHBondContact O-CG2 3.47Å; H206-V209 PolarHBondContact O-N 2.71Å
207	P	97.9	Very high	96.4	Very high	55 Å²	55	46.9 Å²	46.9	36%	0.357	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.1	-176.6	-27.9	36.2	0	0	0	116	R123 P153 S155 V209	R123-P207 WeakPolarHBondContact CD-O 3.36Å; P153-P207 HydrophobicContact CG-CG 4.33Å; S155-P207 VanDerWaalsContact O-CD 3.29Å; S155-P207 WeakPolarHBondContact O-CD 3.3Å; P207-V209 VanDerWaalsContact C-N 3.32Å
208	S	97.6	Very high	96.7	Very high	11 Å²	11	50 Å²	50	8%	0.077	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-20.4	175.7	75.5	0	0	0	0	113.7	H125 H206	H125-S208 WeakPolarHBondContact CA-OG 3.28Å; H125-S208 PolarHBondContact CE1-O 2.92Å; H125-S208 VanDerWaalsContact CE1-O 3.3Å; H125-S208 PolarHBondContact NE2-O 3.43Å; H125-S208 VanDerWaalsContact NE2-O 3.09Å; H206-S208 PolarHBondContact CE1-OG 3.24Å; H206-S208 VanDerWaalsContact ND1-CB 3.28Å; H206-S208 WeakPolarHBondContact ND1-CB 3.35Å; H206-S208 PolarHBondContact ND1-N 2.78Å; H206-S208 PolarHBondContact ND1-OG 2.77Å; H206-S208 PolarHBondContact O-N 3.43Å
209	V	96.5	Very high	96.3	Very high	22 Å²	22	49.1 Å²	49.1	13%	0.133	26%	0.259	C	S	.	.			trans	-113.8	144.6	-176.1	-70	0	0	0	0	111	H125 H206 P207 L213	H125-V209 WeakPolarHBondContact CD2-CG1 3.23Å; H206-V209 HydrophobicContact CB-CG2 4.23Å; H206-V209 WeakPolarHBondContact O-CG2 3.47Å; H206-V209 PolarHBondContact O-N 2.71Å; P207-V209 VanDerWaalsContact C-N 3.32Å; V209-L213 HydrophobicContact CG1-CD1 3.99Å; V209-L213 HydrophobicContact CG1-CD2 4.3Å; V209-L213 HydrophobicContact CG1-CG 4.11Å; V209-L213 HydrophobicContact CG2-CG 4.36Å
210	M	95.3	Very high	95.4	Very high	173 Å²	173	57.5 Å²	57.5	85%	0.852	29%	0.288	S	S	*	.	S	Bend	trans	-85.2	-23.8	-179.1	-61.9	-63.9	90.3	0	0	113.2
211	S	95.8	Very high	93.7	Very high	84 Å²	84	59.1 Å²	59.1	59%	0.587	30%	0.3	S	S	*	.	S	Bend	trans	-129.3	151.6	175.6	54.7	0	0	0	0	110	L213	S211-L213 PolarHBondContact O-N 2.92Å
212	P	96.2	Very high	92	Very high	53 Å²	53	64.9 Å²	64.9	34%	0.344	33%	0.325	S	S	.	.			trans	-58.6	133.1	178.1	-22.4	32.5	0	0	0	111.3	Q203 V204 E205	Q203-P212 HydrophobicContact CG-CB 3.65Å; V204-P212 CarbonylContact O-C 3.59Å; V204-P212 WeakPolarHBondContact O-CA 3.01Å; E205-P212 HydrophobicContact CG-CB 4.04Å; E205-P212 HydrophobicContact CG-CG 4.04Å
213	L	97.3	Very high	90.1	Very high	58 Å²	58	67.6 Å²	67.6	30%	0.304	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	131.9	173.3	-65.5	169.5	0	0	0	108.9	P126 V128 Q203 V204 V209 S211	P126-L213 HydrophobicContact CG-CD1 3.64Å; V128-L213 HydrophobicContact CG2-CD1 4.31Å; Q203-L213 CarbonylContact C-O 3.51Å; Q203-L213 VanDerWaalsContact CA-O 3.25Å; Q203-L213 WeakPolarHBondContact CA-O 3.29Å; V204-L213 HydrophobicContact CB-CB 4.32Å; V204-L213 PolarHBondContact N-O 2.99Å; V204-L213 PolarHBondContact O-N 3.36Å; V209-L213 HydrophobicContact CG1-CD1 3.99Å; V209-L213 HydrophobicContact CG1-CD2 4.3Å; V209-L213 HydrophobicContact CG1-CG 4.11Å; V209-L213 HydrophobicContact CG2-CG 4.36Å; S211-L213 PolarHBondContact O-N 2.92Å
214	T	97.4	Very high	88.3	Confident	87 Å²	87	68.4 Å²	68.4	53%	0.534	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.9	179.2	55.5	0	0	0	0	110.8	T201 C202 Q203	T201-T214 HydrophobicContact CG2-CG2 4.19Å; C202-T214 WeakPolarHBondContact O-CA 3.03Å; Q203-T214 HydrophobicContact CB-CG2 4.26Å; Q203-T214 HydrophobicContact CG-CG2 4.02Å
215	V	97.8	Very high	86.4	Confident	44 Å²	44	77.8 Å²	77.8	27%	0.267	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123	174.4	-179.4	0	0	0	0	109	V128 V130 T201 C202	V128-V215 HydrophobicContact CB-CG2 3.78Å; V128-V215 HydrophobicContact CG1-CB 4.1Å; V128-V215 HydrophobicContact CG1-CG2 3.58Å; V130-V215 HydrophobicContact CB-CG1 4.04Å; V130-V215 HydrophobicContact CG2-CB 3.85Å; V130-V215 HydrophobicContact CG2-CG1 3.65Å; T201-V215 WeakPolarHBondContact CA-O 3.37Å; C202-V215 PolarHBondContact N-O 3.47Å; C202-V215 PolarHBondContact O-N 2.81Å
216	E	96.6	Very high	84.8	Confident	105 Å²	105	78.3 Å²	78.3	49%	0.491	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	141.9	-179.2	-63.8	-171.2	168.7	0	0	112.2	V199 Y200 T201 R218	V199-E216 HydrophobicContact CG1-CB 4.25Å; V199-E216 HydrophobicContact CG1-CG 4.21Å; Y200-E216 CarbonylContact O-C 3.47Å; Y200-E216 WeakPolarHBondContact O-CA 3.47Å; T201-E216 HydrophobicContact CG2-CG 4.4Å; E216-R218 IonicContact OE1-NH2 3.78Å; E216-R218 IonicContact OE2-CZ 3.11Å; E216-R218 IonicContact OE2-NE 2.64Å; E216-R218 PolarHBondContact OE2-NE 3.11Å; E216-R218 IonicContact OE2-NH2 3.98Å; E216-R218 PolarHBondContact OE2-NH2 2.86Å
217	W	94.7	Very high	83.6	Confident	49 Å²	49	84.8 Å²	84.8	19%	0.186	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.7	165.1	-179.5	91	0	0	0	109.7	V130 L144 P194 Y200 A219	V130-W217 HydrophobicContact CB-CB 4.38Å; V130-W217 HydrophobicContact CG1-CB 3.58Å; V130-W217 HydrophobicContact CG1-CG 4.23Å; L144-W217 HydrophobicContact CD1-CD2 4.36Å; L144-W217 HydrophobicContact CD1-CE3 3.66Å; L144-W217 HydrophobicContact CD1-CZ3 3.87Å; L144-W217 HydrophobicContact CD2-CD2 3.82Å; L144-W217 HydrophobicContact CD2-CE3 3.77Å; L144-W217 HydrophobicContact CD2-CH2 3.95Å; L144-W217 HydrophobicContact CD2-CZ2 3.99Å; L144-W217 HydrophobicContact CD2-CZ3 3.83Å; L144-W217 HydrophobicContact CG-CE3 4.4Å; L144-W217 HydrophobicContact CG-CZ3 4.46Å; P194-W217 HydrophobicContact CB-CH2 3.92Å; P194-W217 HydrophobicContact CB-CZ3 3.95Å; P194-W217 HydrophobicContact CG-CH2 4.03Å; P194-W217 HydrophobicContact CG-CZ3 4.17Å; Y200-W217 AromaticContact CD2-CE3 3.65Å; Y200-W217 HydrophobicContact CD2-CE3 3.65Å; Y200-W217 AromaticContact CD2-CZ3 3.72Å; Y200-W217 HydrophobicContact CD2-CZ3 3.72Å; Y200-W217 HydrophobicContact CE2-CE3 4.41Å; Y200-W217 HydrophobicContact CE2-CZ3 4.02Å; Y200-W217 HydrophobicContact CG-CE3 4.24Å; Y200-W217 PolarHBondContact N-O 3.26Å; Y200-W217 PolarHBondContact O-N 2.76Å; W217-A219 HydrophobicContact CH2-CB 3.97Å; W217-A219 HydrophobicContact CZ3-CB 3.78Å
218	R	91.9	Very high	82.2	Confident	129 Å²	129	88.8 Å²	88.8	49%	0.487	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.9	-176.8	-62.8	-173.1	177.8	-114.2	-2.2	110.6	V199 E216 R220	V199-R218 HydrophobicContact CG1-CG 4.23Å; V199-R218 HydrophobicContact CG2-CG 4.15Å; E216-R218 IonicContact OE1-NH2 3.78Å; E216-R218 IonicContact OE2-CZ 3.11Å; E216-R218 IonicContact OE2-NE 2.64Å; E216-R218 PolarHBondContact OE2-NE 3.11Å; E216-R218 IonicContact OE2-NH2 3.98Å; E216-R218 PolarHBondContact OE2-NH2 2.86Å; R218-R220 PolarHBondContact O-N 2.92Å
219	A	85.7	Confident	81	Confident	3 Å²	3	94.2 Å²	94.2	3%	0.025	48%	0.475	C	S	.	.			trans	-71	93	173.4	0	0	0	0	0	109.9	L138 P194 R195 G197 E198 W217	L138-A219 HydrophobicContact CD2-CB 3.95Å; P194-A219 HydrophobicContact CB-CB 3.97Å; R195-A219 WeakPolarHBondContact O-CB 3.36Å; G197-A219 PolarHBondContact N-O 2.81Å; G197-A219 VanDerWaalsContact N-O 3.13Å; E198-A219 HydrophobicContact CB-CB 4.39Å; E198-A219 PolarHBondContact O-N 3.14Å; W217-A219 HydrophobicContact CH2-CB 3.97Å; W217-A219 HydrophobicContact CZ3-CB 3.78Å
220	R	75.5	Confident	80.2	Confident	199 Å²	199	97.4 Å²	97.4	75%	0.751	50%	0.498	S	S	*	.			trans	-97.4	134.8	173.5	-70.4	-177.9	177.4	174.6	0.6	109.8	R218	R218-R220 PolarHBondContact O-N 2.92Å
221	S	61.3	Low	79.6	Confident	35 Å²	35	91.3 Å²	91.3	25%	0.245	48%	0.48	C	S	.	.			trans	-72.6	143.1	174	92.4	0	0	0	0	110.3	L138 S223 A224 R225	L138-S221 VanDerWaalsContact CD1-CA 3.5Å; S221-S223 PolarHBondContact O-N 3.45Å; S221-S223 WeakPolarHBondContact OG-CB 3.32Å; S221-S223 PolarHBondContact OG-N 3.44Å; S221-A224 WeakPolarHBondContact O-CB 3.1Å; S221-A224 PolarHBondContact O-N 2.92Å; S221-A224 PolarHBondContact OG-N 3.09Å; S221-A224 VanDerWaalsContact OG-N 3.14Å; S221-R225 PolarHBondContact O-N 2.03Å
222	E	62.5	Low	79.1	Confident	142 Å²	142	91.5 Å²	91.5	66%	0.664	48%	0.477	S	S	*	.	H	α-helix	trans	-57	-31.7	171.8	-71.8	-160.4	147.3	0	0	111.7	A224 R225 S226	E222-A224 VanDerWaalsContact C-N 3.3Å; E222-A224 PolarHBondContact O-N 3.4Å; E222-R225 PolarHBondContact O-N 3.48Å; E222-S226 WeakPolarHBondContact O-CB 3.21Å; E222-S226 PolarHBondContact O-N 3.13Å
223	S	58.6	Low	78.5	Confident	58 Å²	58	90.6 Å²	90.6	41%	0.406	48%	0.477	S	S	.	.	H	α-helix	trans	-58.6	-40	174.5	-171	0	0	0	0	111.9	S221 K227	S221-S223 PolarHBondContact O-N 3.45Å; S221-S223 WeakPolarHBondContact OG-CB 3.32Å; S221-S223 PolarHBondContact OG-N 3.44Å; S223-K227 WeakPolarHBondContact O-CB 3.14Å; S223-K227 WeakPolarHBondContact O-CD 3.46Å; S223-K227 WeakPolarHBondContact O-CG 3.4Å; S223-K227 PolarHBondContact O-N 2.82Å; S223-K227 WeakPolarHBondContact OG-CE 3.39Å; S223-K227 PolarHBondContact OG-NZ 3.32Å
224	A	59.4	Low	78.1	Confident	51 Å²	51	89.9 Å²	89.9	42%	0.421	48%	0.484	S	S	.	.	H	α-helix	trans	-68.8	-38.6	177.8	0	0	0	0	0	112.3	S221 E222 M228	S221-A224 WeakPolarHBondContact O-CB 3.1Å; S221-A224 PolarHBondContact O-N 2.92Å; S221-A224 PolarHBondContact OG-N 3.09Å; S221-A224 VanDerWaalsContact OG-N 3.14Å; E222-A224 VanDerWaalsContact C-N 3.3Å; E222-A224 PolarHBondContact O-N 3.4Å; A224-M228 PolarHBondContact O-N 3.12Å
225	R	59.7	Low	77.7	Confident	197 Å²	197	92.4 Å²	92.4	74%	0.743	49%	0.487	S	S	*	.	H	α-helix	trans	-69	-42.7	177	-166.8	178.5	-173.8	175.6	1.9	111.9	S221 E222 M228 L229	S221-R225 PolarHBondContact O-N 2.03Å; E222-R225 PolarHBondContact O-N 3.48Å; R225-M228 PolarHBondContact O-N 2.51Å; R225-L229 PolarHBondContact O-N 2.92Å
226	S	64.1	Low	77.5	Confident	79 Å²	79	94 Å²	94	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-66.2	-43	176.7	177	0	0	0	0	112.1	E222 L229 S230	E222-S226 WeakPolarHBondContact O-CB 3.21Å; E222-S226 PolarHBondContact O-N 3.13Å; S226-L229 PolarHBondContact O-N 2.83Å; S226-S230 WeakPolarHBondContact O-CB 3.21Å; S226-S230 PolarHBondContact O-N 3.29Å
227	K	73.4	Confident	77.3	Confident	146 Å²	146	93.7 Å²	93.7	64%	0.635	50%	0.498	S	S	*	.	H	α-helix	trans	-64.5	-38.7	175.6	-75.6	169.8	176.9	165.3	0	112.6	S223 G231	S223-K227 WeakPolarHBondContact O-CB 3.14Å; S223-K227 WeakPolarHBondContact O-CD 3.46Å; S223-K227 WeakPolarHBondContact O-CG 3.4Å; S223-K227 PolarHBondContact O-N 2.82Å; S223-K227 WeakPolarHBondContact OG-CE 3.39Å; S223-K227 PolarHBondContact OG-NZ 3.32Å; K227-G231 PolarHBondContact O-N 2.69Å
228	M	68.6	Low	77.2	Confident	140 Å²	140	92.9 Å²	92.9	69%	0.69	51%	0.506	S	S	*	.	H	α-helix	trans	-64	-45	171.9	-86.7	-164.9	85.2	0	0	112.1	A224 R225 S230 G231 V232	A224-M228 PolarHBondContact O-N 3.12Å; R225-M228 PolarHBondContact O-N 2.51Å; M228-S230 PolarHBondContact O-N 3.42Å; M228-G231 PolarHBondContact O-N 2.89Å; M228-V232 WeakPolarHBondContact O-CG2 3.48Å; M228-V232 PolarHBondContact O-N 2.81Å
229	L	73.5	Confident	77.4	Confident	124 Å²	124	91.3 Å²	91.3	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-63.1	-42.1	178.9	-109.6	91	0	0	0	112.2	R225 S226 G233	R225-L229 PolarHBondContact O-N 2.92Å; S226-L229 PolarHBondContact O-N 2.83Å; L229-G233 PolarHBondContact O-N 3.19Å
230	S	79.9	Confident	77.8	Confident	90 Å²	90	96.8 Å²	96.8	63%	0.629	53%	0.534	S	S	*	.	H	α-helix	trans	-65.7	-40.7	176.4	-178	0	0	0	0	111.6	S226 M228 G233 G234	S226-S230 WeakPolarHBondContact O-CB 3.21Å; S226-S230 PolarHBondContact O-N 3.29Å; M228-S230 PolarHBondContact O-N 3.42Å; S230-G233 PolarHBondContact O-N 3.39Å; S230-G234 PolarHBondContact O-N 2.88Å
231	G	81.1	Confident	78.6	Confident	45 Å²	45	94.7 Å²	94.7	46%	0.464	53%	0.531	S	S	.	.	H	α-helix	trans	-63.9	-43.8	175.6	0	0	0	0	0	113.4	K227 M228 G234 F235	K227-G231 PolarHBondContact O-N 2.69Å; M228-G231 PolarHBondContact O-N 2.89Å; G231-G234 PolarHBondContact O-N 2.77Å; G231-F235 WeakPolarHBondContact O-CB 3.5Å; G231-F235 PolarHBondContact O-N 3.39Å
232	V	85.8	Confident	80.2	Confident	88 Å²	88	98.2 Å²	98.2	53%	0.533	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-43.8	175.2	172.4	0	0	0	0	110.7	M228 G234 F235 V236	M228-V232 WeakPolarHBondContact O-CG2 3.48Å; M228-V232 PolarHBondContact O-N 2.81Å; V232-G234 PolarHBondContact O-N 2.64Å; V232-F235 PolarHBondContact O-N 3.23Å; V232-V236 HydrophobicContact CG1-CG2 4.48Å; V232-V236 WeakPolarHBondContact O-CG2 3.35Å; V232-V236 PolarHBondContact O-N 3.19Å
233	G	84.3	Confident	81.6	Confident	33 Å²	33	93.5 Å²	93.5	34%	0.34	54%	0.536	S	S	.	.	H	α-helix	trans	-58.7	-46.2	175.6	0	0	0	0	0	112.6	L229 S230 V236 L237	L229-G233 PolarHBondContact O-N 3.19Å; S230-G233 PolarHBondContact O-N 3.39Å; G233-V236 PolarHBondContact O-N 3.4Å; G233-L237 WeakPolarHBondContact O-CB 3.47Å; G233-L237 PolarHBondContact O-N 3.3Å
234	G	88.4	Confident	83.3	Confident	43 Å²	43	93.1 Å²	93.1	44%	0.443	54%	0.537	S	S	.	.	H	α-helix	trans	-63.8	-39.3	176.9	0	0	0	0	0	113.3	S230 G231 V232 L237 G238	S230-G234 PolarHBondContact O-N 2.88Å; G231-G234 PolarHBondContact O-N 2.77Å; V232-G234 PolarHBondContact O-N 2.64Å; G234-L237 PolarHBondContact O-N 3.1Å; G234-G238 PolarHBondContact O-N 3.44Å
235	F	90.1	Very high	84.8	Confident	140 Å²	140	92.6 Å²	92.6	61%	0.614	54%	0.536	S	S	*	.	H	α-helix	trans	-66.4	-42.8	178.1	-170.3	-101.7	0	0	0	112.4	G231 V232 G238 L239	G231-F235 WeakPolarHBondContact O-CB 3.5Å; G231-F235 PolarHBondContact O-N 3.39Å; V232-F235 PolarHBondContact O-N 3.23Å; F235-G238 PolarHBondContact O-N 3.07Å; F235-L239 HydrophobicContact CD1-CD1 3.86Å; F235-L239 HydrophobicContact CD1-CG 4.39Å; F235-L239 HydrophobicContact CE1-CD1 3.46Å; F235-L239 VanDerWaalsContact CE1-CD1 3.46Å; F235-L239 HydrophobicContact CE1-CG 4.11Å; F235-L239 HydrophobicContact CZ-CD1 4.13Å; F235-L239 HydrophobicContact CZ-CG 4.41Å; F235-L239 PolarHBondContact O-N 3.38Å
236	V	92.6	Very high	86.3	Confident	77 Å²	77	87.5 Å²	87.5	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-64.1	-44.9	176.6	173.2	0	0	0	0	111.1	V232 G233 G238 L239 L240	V232-V236 HydrophobicContact CG1-CG2 4.48Å; V232-V236 WeakPolarHBondContact O-CG2 3.35Å; V232-V236 PolarHBondContact O-N 3.19Å; G233-V236 PolarHBondContact O-N 3.4Å; V236-G238 VanDerWaalsContact C-N 3.33Å; V236-G238 PolarHBondContact O-N 3.47Å; V236-L239 PolarHBondContact O-N 2.95Å; V236-L240 HydrophobicContact CG1-CD1 4.38Å; V236-L240 WeakPolarHBondContact O-CG 3.35Å; V236-L240 PolarHBondContact O-N 3.31Å; V236-L240 VanDerWaalsContact O-N 3.1Å
237	L	93.4	Very high	87.5	Confident	99 Å²	99	90 Å²	90	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-58.7	-44.9	173.6	-87.4	153.2	0	0	0	111.5	G233 G234 L239 L240 F241	G233-L237 WeakPolarHBondContact O-CB 3.47Å; G233-L237 PolarHBondContact O-N 3.3Å; G234-L237 PolarHBondContact O-N 3.1Å; L237-L239 PolarHBondContact O-N 3.45Å; L237-L240 PolarHBondContact O-N 3.26Å; L237-F241 HydrophobicContact CD2-CE2 4.17Å; L237-F241 WeakPolarHBondContact O-CD2 3.49Å; L237-F241 PolarHBondContact O-N 2.94Å; L237-F241 VanDerWaalsContact O-N 3.13Å
238	G	92.1	Very high	88.2	Confident	33 Å²	33	88.3 Å²	88.3	34%	0.34	52%	0.521	S	S	.	.	H	α-helix	trans	-59.4	-45	177.3	0	0	0	0	0	113.3	G234 F235 V236 L240 F241 L242	G234-G238 PolarHBondContact O-N 3.44Å; F235-G238 PolarHBondContact O-N 3.07Å; V236-G238 VanDerWaalsContact C-N 3.33Å; V236-G238 PolarHBondContact O-N 3.47Å; G238-L240 VanDerWaalsContact C-N 3.35Å; G238-L240 PolarHBondContact O-N 3.29Å; G238-F241 PolarHBondContact O-N 3.14Å; G238-L242 WeakPolarHBondContact O-CB 3.43Å; G238-L242 PolarHBondContact O-N 3.18Å
239	L	95.1	Very high	89.1	Confident	95 Å²	95	88 Å²	88	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-64.1	-37	177.2	-74.9	176.5	0	0	0	112.8	F235 V236 L237 L242 G243	F235-L239 HydrophobicContact CD1-CD1 3.86Å; F235-L239 HydrophobicContact CD1-CG 4.39Å; F235-L239 HydrophobicContact CE1-CD1 3.46Å; F235-L239 VanDerWaalsContact CE1-CD1 3.46Å; F235-L239 HydrophobicContact CE1-CG 4.11Å; F235-L239 HydrophobicContact CZ-CD1 4.13Å; F235-L239 HydrophobicContact CZ-CG 4.41Å; F235-L239 PolarHBondContact O-N 3.38Å; V236-L239 PolarHBondContact O-N 2.95Å; L237-L239 PolarHBondContact O-N 3.45Å; L239-L242 PolarHBondContact O-N 3.28Å; L239-G243 PolarHBondContact O-N 3.37Å
240	L	94.3	Very high	89.6	Confident	118 Å²	118	87.5 Å²	87.5	62%	0.618	51%	0.506	S	S	*	.	H	α-helix	trans	-63.4	-45.5	175.7	-73.6	169.6	0	0	0	111.5	V236 L237 G238 G243 A244	V236-L240 HydrophobicContact CG1-CD1 4.38Å; V236-L240 WeakPolarHBondContact O-CG 3.35Å; V236-L240 PolarHBondContact O-N 3.31Å; V236-L240 VanDerWaalsContact O-N 3.1Å; L237-L240 PolarHBondContact O-N 3.26Å; G238-L240 VanDerWaalsContact C-N 3.35Å; G238-L240 PolarHBondContact O-N 3.29Å; L240-G243 PolarHBondContact O-N 3.13Å; L240-A244 WeakPolarHBondContact O-CB 3.42Å; L240-A244 PolarHBondContact O-N 2.8Å
241	F	93.4	Very high	89.6	Confident	155 Å²	155	91.9 Å²	91.9	68%	0.68	51%	0.508	S	S	*	.	H	α-helix	trans	-65.5	-39.2	176.4	-76.3	-66.4	0	0	0	112.4	L237 G238 A244 G245	L237-F241 HydrophobicContact CD2-CE2 4.17Å; L237-F241 WeakPolarHBondContact O-CD2 3.49Å; L237-F241 PolarHBondContact O-N 2.94Å; L237-F241 VanDerWaalsContact O-N 3.13Å; G238-F241 PolarHBondContact O-N 3.14Å; F241-A244 PolarHBondContact O-N 3.04Å; F241-G245 PolarHBondContact O-N 3.12Å
242	L	93.9	Very high	89.3	Confident	110 Å²	110	95.7 Å²	95.7	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-62.8	-45.4	175	-112.3	151.5	0	0	0	111.9	G238 L239 G245 L246	G238-L242 WeakPolarHBondContact O-CB 3.43Å; G238-L242 PolarHBondContact O-N 3.18Å; L239-L242 PolarHBondContact O-N 3.28Å; L242-G245 PolarHBondContact O-N 3.03Å; L242-L246 HydrophobicContact CD2-CD1 3.96Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 PolarHBondContact O-N 3.31Å
243	G	92.9	Very high	88.5	Confident	43 Å²	43	96.4 Å²	96.4	44%	0.443	52%	0.515	S	S	.	.	H	α-helix	trans	-62.6	-45.6	176.8	0	0	0	0	0	112.6	L239 L240 L246 F247	L239-G243 PolarHBondContact O-N 3.37Å; L240-G243 PolarHBondContact O-N 3.13Å; G243-L246 PolarHBondContact O-N 3.33Å; G243-F247 WeakPolarHBondContact O-CB 3.32Å; G243-F247 PolarHBondContact O-N 2.89Å
244	A	93.3	Very high	87.2	Confident	50 Å²	50	103.6 Å²	103.6	41%	0.413	54%	0.537	S	S	.	.	H	α-helix	trans	-63	-42.8	175.6	0	0	0	0	0	112	L240 F241 F247 I248	L240-A244 WeakPolarHBondContact O-CB 3.42Å; L240-A244 PolarHBondContact O-N 2.8Å; F241-A244 PolarHBondContact O-N 3.04Å; A244-F247 PolarHBondContact O-N 3.46Å; A244-I248 WeakPolarHBondContact O-CG1 3.44Å; A244-I248 PolarHBondContact O-N 3.27Å
245	G	91.4	Very high	85.7	Confident	39 Å²	39	104.4 Å²	104.4	40%	0.402	55%	0.546	S	S	.	.	H	α-helix	trans	-61.4	-47.2	176.2	0	0	0	0	0	112.6	F241 L242 F247 I248 Y249	F241-G245 PolarHBondContact O-N 3.12Å; L242-G245 PolarHBondContact O-N 3.03Å; G245-F247 VanDerWaalsContact C-N 3.33Å; G245-F247 PolarHBondContact O-N 3.08Å; G245-I248 PolarHBondContact O-N 3.25Å; G245-Y249 WeakPolarHBondContact O-CB 3.5Å; G245-Y249 PolarHBondContact O-N 3.05Å
246	L	91.4	Very high	83.8	Confident	90 Å²	90	105.9 Å²	105.9	47%	0.471	55%	0.554	S	S	.	*	H	α-helix	trans	-59.5	-43.9	174.5	-107.2	85.1	0	0	0	111.5	L242 G243 I248 Y249 F250	L242-L246 HydrophobicContact CD2-CD1 3.96Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 PolarHBondContact O-N 3.31Å; G243-L246 PolarHBondContact O-N 3.33Å; L246-I248 PolarHBondContact O-N 3.15Å; L246-Y249 PolarHBondContact O-N 3.45Å; L246-F250 HydrophobicContact CB-CD2 4.43Å; L246-F250 HydrophobicContact CB-CE2 4.47Å; L246-F250 HydrophobicContact CD2-CE2 3.86Å; L246-F250 HydrophobicContact CG-CE2 4.12Å; L246-F250 WeakPolarHBondContact O-CD2 3.36Å; L246-F250 PolarHBondContact O-N 3.08Å
247	F	88.5	Confident	81.9	Confident	131 Å²	131	107.7 Å²	107.7	58%	0.575	57%	0.57	S	S	*	*	H	α-helix	trans	-61.9	-44.1	-179.9	-178.7	-98.9	0	0	0	112.3	G243 A244 G245 R251	G243-F247 WeakPolarHBondContact O-CB 3.32Å; G243-F247 PolarHBondContact O-N 2.89Å; A244-F247 PolarHBondContact O-N 3.46Å; G245-F247 VanDerWaalsContact C-N 3.33Å; G245-F247 PolarHBondContact O-N 3.08Å; F247-R251 HydrophobicContact CE1-CG 4.38Å; F247-R251 HydrophobicContact CZ-CG 4.44Å; F247-R251 PolarHBondContact O-N 2.69Å
248	I	88.4	Confident	79.9	Confident	112 Å²	112	106 Å²	106	57%	0.574	58%	0.577	S	S	*	*	H	α-helix	trans	-64.4	-45.4	175.6	-66.7	169.6	0	0	0	110.3	A244 G245 L246 F250 R251 N252	A244-I248 WeakPolarHBondContact O-CG1 3.44Å; A244-I248 PolarHBondContact O-N 3.27Å; G245-I248 PolarHBondContact O-N 3.25Å; L246-I248 PolarHBondContact O-N 3.15Å; I248-F250 PolarHBondContact O-N 3.02Å; I248-R251 PolarHBondContact O-N 2.64Å; I248-N252 PolarHBondContact O-N 3.4Å
249	Y	88.1	Confident	77.7	Confident	133 Å²	133	112.8 Å²	112.8	52%	0.522	61%	0.605	S	S	.	*	H	α-helix	trans	-57.9	-47.8	178.4	176.9	-98.8	0	0	0	112.3	G245 L246 N252 Q253	G245-Y249 WeakPolarHBondContact O-CB 3.5Å; G245-Y249 PolarHBondContact O-N 3.05Å; L246-Y249 PolarHBondContact O-N 3.45Å; Y249-N252 PolarHBondContact O-N 3.05Å; Y249-Q253 HydrophobicContact CE1-CG 4.3Å; Y249-Q253 PolarHBondContact O-N 2.86Å; Y249-Q253 PolarHBondContact OH-NE2 3.37Å
250	F	82.4	Confident	75.2	Confident	113 Å²	113	117 Å²	117	50%	0.496	62%	0.622	S	S	.	*	H	α-helix	trans	-68.6	-33.2	178	-78.6	-62.1	0	0	0	113.4	L246 I248 N252 K254	L246-F250 HydrophobicContact CB-CD2 4.43Å; L246-F250 HydrophobicContact CB-CE2 4.47Å; L246-F250 HydrophobicContact CD2-CE2 3.86Å; L246-F250 HydrophobicContact CG-CE2 4.12Å; L246-F250 WeakPolarHBondContact O-CD2 3.36Å; L246-F250 PolarHBondContact O-N 3.08Å; I248-F250 PolarHBondContact O-N 3.02Å; F250-N252 VanDerWaalsContact C-N 3.3Å; F250-K254 PolarHBondContact O-N 3.16Å
251	R	80.9	Confident	72.9	Confident	183 Å²	183	117 Å²	117	69%	0.691	63%	0.629	S	S	*	*	H	α-helix	trans	-63.1	-38.3	170.3	-92.3	-173.5	67.1	155.9	-1	111.8	F247 I248 K254	F247-R251 HydrophobicContact CE1-CG 4.38Å; F247-R251 HydrophobicContact CZ-CG 4.44Å; F247-R251 PolarHBondContact O-N 2.69Å; I248-R251 PolarHBondContact O-N 2.64Å; R251-K254 PolarHBondContact O-N 2.89Å
252	N	74.6	Confident	70.7	Confident	124 Å²	124	116.2 Å²	116.2	66%	0.663	64%	0.637	S	S	*	*	H	α-helix	trans	-73.4	-37.3	-178.8	-134.6	16.3	0	0	0	112.1	I248 Y249 F250 K254 G255	I248-N252 PolarHBondContact O-N 3.4Å; Y249-N252 PolarHBondContact O-N 3.05Å; F250-N252 VanDerWaalsContact C-N 3.3Å; N252-K254 VanDerWaalsContact C-N 3.33Å; N252-K254 PolarHBondContact O-N 3.11Å; N252-G255 PolarHBondContact O-N 3.31Å; N252-G255 VanDerWaalsContact O-N 3.15Å
253	Q	68.7	Low	68.1	Low	103 Å²	103	114.7 Å²	114.7	48%	0.481	65%	0.648	S	S	.	*	H	α-helix	trans	-65	-32.7	173.4	-81.7	-163.6	-28.1	0	0	113.4	Y249 G255	Y249-Q253 HydrophobicContact CE1-CG 4.3Å; Y249-Q253 PolarHBondContact O-N 2.86Å; Y249-Q253 PolarHBondContact OH-NE2 3.37Å; Q253-G255 PolarHBondContact O-N 3.27Å
254	K	58.5	Low	65.9	Low	184 Å²	184	122 Å²	122	80%	0.8	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-10.8	174.5	-80.1	-177	177	-179.6	0	114	F250 R251 N252	F250-K254 PolarHBondContact O-N 3.16Å; R251-K254 PolarHBondContact O-N 2.89Å; N252-K254 VanDerWaalsContact C-N 3.33Å; N252-K254 PolarHBondContact O-N 3.11Å
255	G	55.4	Low	63.4	Low	60 Å²	60	127 Å²	127	62%	0.619	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	1.4	179.1	0	0	0	0	0	115.8	N252 Q253	N252-G255 PolarHBondContact O-N 3.31Å; N252-G255 VanDerWaalsContact O-N 3.15Å; Q253-G255 PolarHBondContact O-N 3.27Å
256	H	51.5	Low	61.1	Low	172 Å²	172	134.5 Å²	134.5	80%	0.796	73%	0.733	S	S	*	*	S	Bend	trans	-115.2	9.6	-176.6	-94.7	48	0	0	0	115.1
257	S	52.3	Low	59.6	Low	114 Å²	114	136.7 Å²	136.7	80%	0.797	75%	0.746	S	S	*	*	S	Bend	trans	-112.1	81.3	176.2	-56	0	0	0	0	111
258	G	51.6	Low	58.1	Low	65 Å²	65	137 Å²	137	67%	0.67	76%	0.755	S	S	*	*			trans	145.8	95.8	159.6	0	0	0	0	0	115.7
259	L	45	Very low	56.4	Low	175 Å²	175	138.4 Å²	138.4	92%	0.916	77%	0.765	S	S	*	*				176.2	104.2	129.2	-98.7	148.4	0	0	0	109.6
260	Q	42.4	Very low	54.5	Low	183 Å²	183	138.7 Å²	138.7	86%	0.855	78%	0.779	S	S	*	*			trans	-100.9	119.6	164.9	-166.8	-175.6	4.4	0	0	107.3
261	P	47	Very low	52.8	Low	119 Å²	119	140.3 Å²	140.3	77%	0.773	80%	0.797	S	S	*	*			trans	-88.3	120.9	168.3	26	-16.9	0	0	0	109.6	G263	P261-G263 PolarHBondContact O-N 3.09Å
262	T	47.5	Very low	50.9	Low	138 Å²	138	137.5 Å²	137.5	85%	0.847	80%	0.804	S	S	*	*			trans	-68.5	109.9	163.7	37.1	0	0	0	0	109.5
263	G	39.3	Very low	49.2	Very low	78 Å²	78	138.4 Å²	138.4	80%	0.804	81%	0.814	S	S	*	*			trans	-102.3	131	166.8	0	0	0	0	0	110.5	P261	P261-G263 PolarHBondContact O-N 3.09Å
264	F	45.7	Very low	47.7	Very low	195 Å²	195	141.2 Å²	141.2	86%	0.855	84%	0.84	S	S	*	*			trans	-85.3	157.9	-176.9	-114.7	-82.9	0	0	0	112.7
265	L	40.5	Very low	46.8	Very low	156 Å²	156	137.6 Å²	137.6	82%	0.817	84%	0.843	S	S	*	*			trans	90.8	129.3	148.1	-69.5	167	0	0	0	122.5
266	S	43.4	Very low	46	Very low	196 Å²	196	144.6 Å²	144.6	100%	1.371	86%	0.864	S	S	*	*			trans	83.1	0	152	-103	0	0	0	0	120.7

Retrieved 266 of 266 residues in 859.9 ms (Link to these results)

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