A0A087Y859_POEFO Loading...

Endoplasmic reticulum protein 27

AlphaFold DB , UniProt , Accession A0A087Y859, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 254 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	41.6	Very low	38	Very low	236 Å²	236	149.1 Å²	149.1	100%	1.163	83%	0.831	S	S	*	*				0	100.9	0	-78.2	173.4	64	0	0	108.7
2	L	36.1	Very low	38	Very low	165 Å²	165	145.5 Å²	145.5	86%	0.864	82%	0.824	S	S	*	*			trans	-154.4	100.3	162.4	-144.7	79.1	0	0	0	105.8
3	V	38.4	Very low	38	Very low	146 Å²	146	141.3 Å²	141.3	89%	0.885	81%	0.809	S	S	*	*			trans	-95.9	108.3	176	175.7	0	0	0	0	106	L5	V3-L5 PolarHBondContact O-N 3.48Å
4	T	40.2	Very low	38	Very low	121 Å²	121	140.6 Å²	140.6	74%	0.742	81%	0.808	S	S	*	*			trans	-80.5	115.5	175.2	-51.6	0	0	0	0	108.7	C6	T4-C6 PolarHBondContact O-N 3.37Å
5	L	38.3	Very low	38.1	Very low	143 Å²	143	139.2 Å²	139.2	75%	0.749	80%	0.803	S	S	*	*			trans	-75.7	105	177.2	-173.5	74	0	0	0	109.5	V3 L7	V3-L5 PolarHBondContact O-N 3.48Å; L5-L7 HydrophobicContact CD2-CD1 3.84Å; L5-L7 HydrophobicContact CG-CD1 4.17Å; L5-L7 PolarHBondContact O-N 3.28Å
6	C	37.9	Very low	38.1	Very low	118 Å²	118	135.6 Å²	135.6	80%	0.797	80%	0.795	S	S	*	*			trans	-78.8	99.5	167.2	-90.5	0	0	0	0	109.4	T4 T8	T4-C6 PolarHBondContact O-N 3.37Å; C6-T8 PolarHBondContact O-N 3.4Å
7	L	35.5	Very low	38	Very low	134 Å²	134	133 Å²	133	70%	0.702	79%	0.793	S	S	*	*			trans	-77.4	106.7	166.4	-129.1	86	0	0	0	108.4	L5 L9	L5-L7 HydrophobicContact CD2-CD1 3.84Å; L5-L7 HydrophobicContact CG-CD1 4.17Å; L5-L7 PolarHBondContact O-N 3.28Å; L7-L9 PolarHBondContact O-N 3.37Å
8	T	38.3	Very low	38.1	Very low	128 Å²	128	135.6 Å²	135.6	79%	0.785	80%	0.795	S	S	*	*			trans	-80.9	104.5	168.7	48.1	0	0	0	0	109	C6 L10	C6-T8 PolarHBondContact O-N 3.4Å; T8-L10 PolarHBondContact O-N 3.31Å
9	L	35.3	Very low	38.2	Very low	152 Å²	152	138.9 Å²	138.9	80%	0.796	80%	0.799	S	S	*	*			trans	-74.4	105.4	167.7	-84.1	149.4	0	0	0	108.7	L7 V11	L7-L9 PolarHBondContact O-N 3.37Å; L9-V11 PolarHBondContact O-N 3.13Å
10	L	38.8	Very low	38.8	Very low	167 Å²	167	140.1 Å²	140.1	87%	0.874	80%	0.797	S	S	*	*			trans	-70.5	106	164.3	-83.1	159.9	0	0	0	108	T8 S12	T8-L10 PolarHBondContact O-N 3.31Å; L10-S12 PolarHBondContact O-N 3.23Å; L10-S12 VanDerWaalsContact O-N 3.13Å
11	V	38.2	Very low	40.4	Very low	130 Å²	130	138.5 Å²	138.5	79%	0.788	80%	0.795	S	S	*	*			trans	-72.9	99.9	169	-174.5	0	0	0	0	106.8	L9 S13	L9-V11 PolarHBondContact O-N 3.13Å; V11-S13 PolarHBondContact O-N 3.08Å; V11-S13 VanDerWaalsContact O-N 3.08Å
12	S	37.5	Very low	42.6	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	75%	0.753	S	S	*	*			trans	-67.7	101.2	162.6	169.6	0	0	0	0	106.9	L10 V14	L10-S12 PolarHBondContact O-N 3.23Å; L10-S12 VanDerWaalsContact O-N 3.13Å; S12-V14 PolarHBondContact O-N 2.98Å; S12-V14 VanDerWaalsContact O-N 3.11Å
13	S	37.6	Very low	45.5	Very low	91 Å²	91	121.3 Å²	121.3	64%	0.636	72%	0.715	S	S	*	*			trans	-66.3	106.1	167	50.4	0	0	0	0	107.7	V11 V15	V11-S13 PolarHBondContact O-N 3.08Å; V11-S13 VanDerWaalsContact O-N 3.08Å; S13-V15 VanDerWaalsContact C-N 3.31Å; S13-V15 PolarHBondContact O-N 3.11Å
14	V	38.3	Very low	48.3	Very low	131 Å²	131	119.4 Å²	119.4	79%	0.794	70%	0.696	S	S	*	*			trans	-62.5	100	160.7	177.3	0	0	0	0	105.8	S12 A16	S12-V14 PolarHBondContact O-N 2.98Å; S12-V14 VanDerWaalsContact O-N 3.11Å; V14-A16 PolarHBondContact O-N 2.72Å; V14-A16 VanDerWaalsContact O-N 3.08Å
15	V	39.2	Very low	51	Low	120 Å²	120	118.7 Å²	118.7	73%	0.727	68%	0.683	S	S	*	*			trans	-68.8	104.4	164.1	-177.4	0	0	0	0	104.7	S13 A17	S13-V15 VanDerWaalsContact C-N 3.31Å; S13-V15 PolarHBondContact O-N 3.11Å; V15-A17 PolarHBondContact O-N 2.75Å
16	A	38.8	Very low	53.9	Low	81 Å²	81	112 Å²	112	67%	0.669	65%	0.648	S	S	*	*			trans	-57.3	110.1	161.1	0	0	0	0	0	105.9	V14 E18	V14-A16 PolarHBondContact O-N 2.72Å; V14-A16 VanDerWaalsContact O-N 3.08Å; A16-E18 PolarHBondContact O-N 3.03Å
17	A	37	Very low	56.6	Low	92 Å²	92	111.6 Å²	111.6	76%	0.76	64%	0.638	S	S	*	*			trans	-59.3	108.5	172.8	0	0	0	0	0	107.1	V15 K19	V15-A17 PolarHBondContact O-N 2.75Å; A17-K19 PolarHBondContact O-N 3.08Å
18	E	38.2	Very low	59.6	Low	180 Å²	180	108.8 Å²	108.8	84%	0.841	62%	0.624	S	S	*	*			trans	-54.7	123.6	163.3	-71.3	-176.9	153.2	0	0	106.4	A16 E20	A16-E18 PolarHBondContact O-N 3.03Å; E18-E20 VanDerWaalsContact C-N 3.28Å; E18-E20 PolarHBondContact O-N 2.97Å
19	K	40.7	Very low	62.5	Low	198 Å²	198	103.6 Å²	103.6	86%	0.861	59%	0.591	S	S	*	*			trans	-69.6	92.4	176.6	-163.7	-178.6	-173.2	-174.6	0	106.2	A17 S21	A17-K19 PolarHBondContact O-N 3.08Å; K19-S21 PolarHBondContact O-N 2.88Å
20	E	50.4	Low	65.5	Low	162 Å²	162	102.6 Å²	102.6	76%	0.757	58%	0.583	S	S	*	*			trans	-51.3	124.6	165.9	-78.9	-164.9	153.4	0	0	107.3	E18 G22	E18-E20 VanDerWaalsContact C-N 3.28Å; E18-E20 PolarHBondContact O-N 2.97Å; E20-G22 PolarHBondContact O-N 2.63Å
21	S	72.6	Confident	68.3	Low	108 Å²	108	96.1 Å²	96.1	76%	0.755	55%	0.554	S	S	*	*	S	Bend	trans	-76.9	-1.3	-173.1	56	0	0	0	0	113.4	K19	K19-S21 PolarHBondContact O-N 2.88Å
22	G	87.9	Confident	71.2	Confident	28 Å²	28	90 Å²	90	29%	0.289	52%	0.516	S	S	.	.	S	Bend	trans	-120.3	178	-177	0	0	0	0	0	112.9	E20	E20-G22 PolarHBondContact O-N 2.63Å
23	L	96	Very high	74.1	Confident	12 Å²	12	90 Å²	90	6%	0.063	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-77.6	146.1	176.4	-61.5	176.3	0	0	0	111	K25 Y55 L58 L59 A70 I72	L23-K25 PolarHBondContact O-N 3.39Å; L23-Y55 HydrophobicContact CB-CE2 4.33Å; L23-Y55 HydrophobicContact CD1-CD2 4.21Å; L23-Y55 HydrophobicContact CD1-CE2 3.88Å; L23-Y55 HydrophobicContact CG-CE2 4.16Å; L23-L58 HydrophobicContact CD1-CB 4.3Å; L23-L58 HydrophobicContact CD1-CD2 3.56Å; L23-L58 HydrophobicContact CD1-CG 3.66Å; L23-L59 HydrophobicContact CD2-CD1 3.96Å; L23-L59 HydrophobicContact CG-CD1 4.15Å; L23-A70 HydrophobicContact CD2-CB 3.81Å; L23-I72 HydrophobicContact CB-CB 4.37Å; L23-I72 HydrophobicContact CB-CG2 4.16Å
24	Q	96.8	Very high	77	Confident	105 Å²	105	88.6 Å²	88.6	49%	0.491	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	131.4	172.8	176.9	-178.9	-6.7	0	0	110.2	L26 A71 I72	Q24-L26 HydrophobicContact CG-CD2 4.31Å; Q24-A71 HydrophobicContact CB-CB 4.22Å; Q24-A71 CarbonylContact O-C 3.52Å; Q24-A71 WeakPolarHBondContact O-CA 3.25Å; Q24-A71 WeakPolarHBondContact O-CB 3.2Å; Q24-I72 PolarHBondContact O-N 2.86Å
25	K	97.8	Very high	79.9	Confident	106 Å²	106	83 Å²	83	46%	0.461	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.3	175	-63.5	-174.6	179.9	178.5	0	111.4	L23 E50 I72	L23-K25 PolarHBondContact O-N 3.39Å; K25-E50 WeakPolarHBondContact CE-OE1 3.4Å; K25-E50 IonicContact NZ-OE1 2.72Å; K25-E50 PolarHBondContact NZ-OE1 3.32Å; K25-I72 CarbonylContact C-O 3.59Å; K25-I72 WeakPolarHBondContact CA-O 3.5Å; K25-I72 HydrophobicContact CG-CG2 3.88Å
26	L	98.4	Very high	82.7	Confident	2 Å²	2	78.7 Å²	78.7	1%	0.01	43%	0.434	C	S	.	.			trans	-119	110	178.4	-53.2	172.5	0	0	0	107.7	Q24 A31 V32 F35 I44 A71 I72 C73	Q24-L26 HydrophobicContact CG-CD2 4.31Å; L26-A31 HydrophobicContact CB-CB 4.32Å; L26-A31 HydrophobicContact CD2-CB 4.25Å; L26-V32 HydrophobicContact CB-CG2 3.75Å; L26-V32 HydrophobicContact CD1-CB 4.49Å; L26-V32 HydrophobicContact CD1-CG2 3.98Å; L26-V32 HydrophobicContact CG-CG2 4.49Å; L26-F35 HydrophobicContact CD1-CB 3.99Å; L26-F35 HydrophobicContact CD1-CD1 4.14Å; L26-F35 HydrophobicContact CD1-CG 4.06Å; L26-F35 HydrophobicContact CD2-CB 3.94Å; L26-F35 HydrophobicContact CD2-CD2 4.36Å; L26-F35 HydrophobicContact CD2-CG 4.23Å; L26-I44 HydrophobicContact CD1-CD1 4.18Å; L26-I44 HydrophobicContact CD1-CG1 4.14Å; L26-I44 HydrophobicContact CD1-CG2 4.16Å; L26-A71 HydrophobicContact CD1-CB 3.6Å; L26-A71 HydrophobicContact CD2-CB 4.38Å; L26-A71 HydrophobicContact CG-CB 3.94Å; L26-I72 PolarHBondContact N-O 2.79Å; L26-C73 HydrophobicContact CB-CB 4.28Å
27	D	96.4	Very high	85.5	Confident	111 Å²	111	79.9 Å²	79.9	59%	0.594	43%	0.43	S	S	*	.			trans	-95.1	-11.1	-167	-62.7	-42.7	0	0	0	113.8	V75	D27-V75 WeakPolarHBondContact O-CG2 3.42Å
28	D	98.1	Very high	88.4	Confident	75 Å²	75	79 Å²	79	40%	0.401	42%	0.418	S	S	.	.	S	Bend	trans	-152.4	171	180	58.3	38.4	0	0	0	112	E30 A31 V32	D28-E30 VanDerWaalsContact C-N 3.28Å; D28-E30 PolarHBondContact O-N 3.03Å; D28-E30 PolarHBondContact OD1-N 3.22Å; D28-A31 PolarHBondContact O-N 3.41Å; D28-A31 VanDerWaalsContact OD1-CB 3.25Å; D28-A31 WeakPolarHBondContact OD1-CB 3.44Å; D28-A31 PolarHBondContact OD1-N 3.4Å; D28-V32 WeakPolarHBondContact O-CG2 3.14Å; D28-V32 PolarHBondContact O-N 2.87Å; D28-V32 VanDerWaalsContact O-N 3.14Å
29	T	98.2	Very high	91.3	Very high	18 Å²	18	71.5 Å²	71.5	11%	0.11	39%	0.387	C	S	.	.	H	α-helix	trans	-62.3	-36.2	-178.5	-60.2	0	0	0	0	111.8	V32 K33 D81 F82	T29-V32 PolarHBondContact O-N 2.97Å; T29-K33 HydrophobicContact CG2-CD 4.07Å; T29-K33 VanDerWaalsContact CG2-CE 3.49Å; T29-K33 WeakPolarHBondContact O-CG 3.35Å; T29-K33 PolarHBondContact O-N 3.34Å; T29-D81 WeakPolarHBondContact CB-OD2 3.24Å; T29-D81 HydrophobicContact CG2-CB 4.21Å; T29-D81 WeakPolarHBondContact CG2-OD2 3.42Å; T29-D81 PolarHBondContact OG1-OD2 3.29Å; T29-F82 HydrophobicContact CG2-CE2 4.39Å; T29-F82 HydrophobicContact CG2-CZ 4.5Å
30	E	98.3	Very high	94	Very high	131 Å²	131	65.2 Å²	65.2	61%	0.612	36%	0.361	S	S	*	.	H	α-helix	trans	-63.6	-44.3	177.3	-72.3	72.1	-163.8	0	0	111.7	D28 V32 K33 A34	D28-E30 VanDerWaalsContact C-N 3.28Å; D28-E30 PolarHBondContact O-N 3.03Å; D28-E30 PolarHBondContact OD1-N 3.22Å; E30-V32 VanDerWaalsContact C-N 3.35Å; E30-K33 PolarHBondContact O-N 3.16Å; E30-A34 VanDerWaalsContact O-CB 3.3Å; E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 2.9Å
31	A	98.6	Very high	96.2	Very high	32 Å²	32	57.5 Å²	57.5	26%	0.264	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-41.8	175.8	0	0	0	0	0	111.3	L26 D28 A34 F35	L26-A31 HydrophobicContact CB-CB 4.32Å; L26-A31 HydrophobicContact CD2-CB 4.25Å; D28-A31 PolarHBondContact O-N 3.41Å; D28-A31 VanDerWaalsContact OD1-CB 3.25Å; D28-A31 WeakPolarHBondContact OD1-CB 3.44Å; D28-A31 PolarHBondContact OD1-N 3.4Å; A31-A34 PolarHBondContact O-N 3.37Å; A31-F35 WeakPolarHBondContact O-CB 3.35Å; A31-F35 PolarHBondContact O-N 3.45Å
32	V	98.7	Very high	97.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-46.7	175.9	-179.8	0	0	0	0	111.6	L26 D28 T29 E30 F35 I36 I44 F46 C73 V78 F82	L26-V32 HydrophobicContact CB-CG2 3.75Å; L26-V32 HydrophobicContact CD1-CB 4.49Å; L26-V32 HydrophobicContact CD1-CG2 3.98Å; L26-V32 HydrophobicContact CG-CG2 4.49Å; D28-V32 WeakPolarHBondContact O-CG2 3.14Å; D28-V32 PolarHBondContact O-N 2.87Å; D28-V32 VanDerWaalsContact O-N 3.14Å; T29-V32 PolarHBondContact O-N 2.97Å; E30-V32 VanDerWaalsContact C-N 3.35Å; V32-F35 PolarHBondContact O-N 3.32Å; V32-I36 HydrophobicContact CG1-CD1 3.94Å; V32-I36 WeakPolarHBondContact O-CG1 3.3Å; V32-I36 PolarHBondContact O-N 2.88Å; V32-I44 HydrophobicContact CG1-CD1 3.72Å; V32-F46 HydrophobicContact CG1-CE1 4.35Å; V32-F46 HydrophobicContact CG1-CZ 4.09Å; V32-C73 HydrophobicContact CG2-CB 4.15Å; V32-V78 HydrophobicContact CB-CG1 4.43Å; V32-V78 HydrophobicContact CG2-CG1 3.77Å; V32-F82 HydrophobicContact CB-CE2 3.76Å; V32-F82 HydrophobicContact CB-CZ 3.71Å; V32-F82 HydrophobicContact CG1-CD2 4.11Å; V32-F82 HydrophobicContact CG1-CE1 3.85Å; V32-F82 HydrophobicContact CG1-CE2 3.39Å; V32-F82 HydrophobicContact CG1-CZ 3.23Å; V32-F82 HydrophobicContact CG2-CE2 4.37Å
33	K	98.5	Very high	98	Very high	107 Å²	107	51.1 Å²	51.1	47%	0.465	28%	0.275	S	S	.	.	H	α-helix	trans	-61.8	-45.2	176.9	-72.3	171.4	-178.8	164.6	0	111.8	T29 E30 F35 I36 D37 F82	T29-K33 HydrophobicContact CG2-CD 4.07Å; T29-K33 VanDerWaalsContact CG2-CE 3.49Å; T29-K33 WeakPolarHBondContact O-CG 3.35Å; T29-K33 PolarHBondContact O-N 3.34Å; E30-K33 PolarHBondContact O-N 3.16Å; K33-F35 VanDerWaalsContact C-N 3.27Å; K33-F35 PolarHBondContact O-N 3.36Å; K33-I36 PolarHBondContact O-N 3.16Å; K33-D37 WeakPolarHBondContact O-CB 3.3Å; K33-D37 PolarHBondContact O-N 3.36Å; K33-F82 HydrophobicContact CG-CE1 4.46Å; K33-F82 HydrophobicContact CG-CZ 4.04Å
34	A	98.6	Very high	98.1	Very high	62 Å²	62	50.6 Å²	50.6	51%	0.512	27%	0.272	S	S	.	.	H	α-helix	trans	-61.1	-37.5	176.7	0	0	0	0	0	112.1	E30 A31 D37 S38	E30-A34 VanDerWaalsContact O-CB 3.3Å; E30-A34 WeakPolarHBondContact O-CB 3.37Å; E30-A34 PolarHBondContact O-N 2.9Å; A31-A34 PolarHBondContact O-N 3.37Å; A34-D37 PolarHBondContact O-N 3.26Å; A34-S38 PolarHBondContact O-N 3.14Å; A34-S38 VanDerWaalsContact O-N 3.08Å
35	F	98.6	Very high	98.2	Very high	12 Å²	12	45.6 Å²	45.6	5%	0.053	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-45.7	175.2	-171.1	-100.6	0	0	0	111.9	L26 A31 V32 K33 D37 S38 V42 I44 P69 A71	L26-F35 HydrophobicContact CD1-CB 3.99Å; L26-F35 HydrophobicContact CD1-CD1 4.14Å; L26-F35 HydrophobicContact CD1-CG 4.06Å; L26-F35 HydrophobicContact CD2-CB 3.94Å; L26-F35 HydrophobicContact CD2-CD2 4.36Å; L26-F35 HydrophobicContact CD2-CG 4.23Å; A31-F35 WeakPolarHBondContact O-CB 3.35Å; A31-F35 PolarHBondContact O-N 3.45Å; V32-F35 PolarHBondContact O-N 3.32Å; K33-F35 VanDerWaalsContact C-N 3.27Å; K33-F35 PolarHBondContact O-N 3.36Å; F35-D37 PolarHBondContact O-N 3.01Å; F35-S38 VanDerWaalsContact O-CB 3.31Å; F35-S38 WeakPolarHBondContact O-CB 3.35Å; F35-S38 PolarHBondContact O-N 3.32Å; F35-S38 PolarHBondContact O-OG 3.14Å; F35-V42 HydrophobicContact CD1-CB 4.07Å; F35-V42 HydrophobicContact CD1-CG1 4.42Å; F35-V42 HydrophobicContact CD1-CG2 3.92Å; F35-V42 HydrophobicContact CE1-CB 3.66Å; F35-V42 HydrophobicContact CE1-CG1 4.16Å; F35-V42 HydrophobicContact CE1-CG2 3.98Å; F35-V42 HydrophobicContact CZ-CB 4.4Å; F35-I44 HydrophobicContact CD1-CD1 3.81Å; F35-I44 HydrophobicContact CD1-CG1 3.61Å; F35-I44 HydrophobicContact CE1-CD1 4.47Å; F35-I44 HydrophobicContact CE1-CG1 3.8Å; F35-P69 HydrophobicContact CE2-CB 4.1Å; F35-P69 HydrophobicContact CZ-CB 3.68Å; F35-A71 HydrophobicContact CD1-CB 3.91Å; F35-A71 HydrophobicContact CD2-CB 4.12Å; F35-A71 HydrophobicContact CE1-CB 3.49Å; F35-A71 VanDerWaalsContact CE1-CB 3.49Å; F35-A71 HydrophobicContact CE2-CB 3.75Å; F35-A71 HydrophobicContact CG-CB 4.19Å; F35-A71 HydrophobicContact CZ-CB 3.41Å; F35-A71 VanDerWaalsContact CZ-CB 3.41Å
36	I	98.6	Very high	98.3	Very high	30 Å²	30	40.5 Å²	40.5	15%	0.154	23%	0.227	C	C	.	.	H	α-helix	trans	-55.6	-38.8	172.7	-68.4	166.2	0	0	0	111.1	V32 K33 S38 V42 I44 F82 F92	V32-I36 HydrophobicContact CG1-CD1 3.94Å; V32-I36 WeakPolarHBondContact O-CG1 3.3Å; V32-I36 PolarHBondContact O-N 2.88Å; K33-I36 PolarHBondContact O-N 3.16Å; I36-S38 VanDerWaalsContact C-N 3.32Å; I36-S38 PolarHBondContact O-N 3.26Å; I36-V42 HydrophobicContact CB-CG2 4.47Å; I36-V42 HydrophobicContact CG1-CG2 4.19Å; I36-I44 HydrophobicContact CD1-CD1 4.24Å; I36-I44 HydrophobicContact CG1-CD1 3.8Å; I36-F82 HydrophobicContact CD1-CD1 4.06Å; I36-F82 HydrophobicContact CD1-CE1 3.46Å; I36-F82 VanDerWaalsContact CD1-CE1 3.46Å; I36-F82 HydrophobicContact CD1-CZ 4.19Å; I36-F92 HydrophobicContact CD1-CD1 3.67Å; I36-F92 HydrophobicContact CD1-CD2 4.04Å; I36-F92 HydrophobicContact CD1-CE1 3.69Å; I36-F92 HydrophobicContact CD1-CE2 4.07Å; I36-F92 HydrophobicContact CD1-CG 3.84Å; I36-F92 HydrophobicContact CD1-CZ 3.9Å; I36-F92 HydrophobicContact CG1-CB 4.1Å; I36-F92 HydrophobicContact CG1-CD1 4.1Å; I36-F92 HydrophobicContact CG1-CD2 3.88Å; I36-F92 HydrophobicContact CG1-CE2 4.31Å; I36-F92 HydrophobicContact CG1-CG 3.76Å; I36-F92 HydrophobicContact CG2-CB 4Å; I36-F92 HydrophobicContact CG2-CG 4.36Å
37	D	97.9	Very high	98.3	Very high	106 Å²	106	40.5 Å²	40.5	57%	0.567	23%	0.227	S	C	*	.	H	α-helix	trans	-78.9	-10.6	179.1	-75.8	-31.3	0	0	0	114.6	K33 A34 F35 A39 K94	K33-D37 WeakPolarHBondContact O-CB 3.3Å; K33-D37 PolarHBondContact O-N 3.36Å; A34-D37 PolarHBondContact O-N 3.26Å; F35-D37 PolarHBondContact O-N 3.01Å; D37-A39 VanDerWaalsContact C-N 3.33Å; D37-A39 PolarHBondContact O-N 3.22Å; D37-K94 VanDerWaalsContact C-NZ 3.35Å; D37-K94 PolarHBondContact O-NZ 3.18Å
38	S	97.8	Very high	98.3	Very high	75 Å²	75	40.5 Å²	40.5	52%	0.524	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.7	-175.2	73.4	0	0	0	0	114.4	A34 F35 I36	A34-S38 PolarHBondContact O-N 3.14Å; A34-S38 VanDerWaalsContact O-N 3.08Å; F35-S38 VanDerWaalsContact O-CB 3.31Å; F35-S38 WeakPolarHBondContact O-CB 3.35Å; F35-S38 PolarHBondContact O-N 3.32Å; F35-S38 PolarHBondContact O-OG 3.14Å; I36-S38 VanDerWaalsContact C-N 3.32Å; I36-S38 PolarHBondContact O-N 3.26Å
39	A	97.7	Very high	98.2	Very high	22 Å²	22	40 Å²	40	18%	0.182	22%	0.221	C	C	.	.	S	Bend	trans	-146.6	172.3	179.5	0	0	0	0	0	111.7	D37 V41 V42 P69 K94	D37-A39 VanDerWaalsContact C-N 3.33Å; D37-A39 PolarHBondContact O-N 3.22Å; A39-V41 VanDerWaalsContact C-N 3.3Å; A39-V42 HydrophobicContact CB-CG1 3.82Å; A39-P69 HydrophobicContact CB-CG 4Å; A39-K94 WeakPolarHBondContact O-CD 3.32Å; A39-K94 WeakPolarHBondContact O-CE 3.46Å; A39-K94 PolarHBondContact O-NZ 3.12Å
40	E	97.5	Very high	98	Very high	66 Å²	66	42.9 Å²	42.9	31%	0.308	23%	0.233	S	C	.	.	S	Bend	trans	-70.2	-29.2	174.8	-67.9	-176.9	-163.4	0	0	113	R93 K94 R125 Y126	E40-R93 CarbonylContact O-C 3.58Å; E40-R93 VanDerWaalsContact O-CA 3.26Å; E40-R93 WeakPolarHBondContact O-CA 3.31Å; E40-K94 PolarHBondContact O-N 3.46Å; E40-R125 HydrophobicContact CB-CG 4.49Å; E40-R125 WeakPolarHBondContact OE2-CA 3.46Å; E40-R125 WeakPolarHBondContact OE2-CB 3.24Å; E40-Y126 VanDerWaalsContact CD-CD2 3.47Å; E40-Y126 HydrophobicContact CG-CD2 3.8Å; E40-Y126 HydrophobicContact CG-CE2 4.18Å; E40-Y126 WeakPolarHBondContact OE1-CD2 3.29Å; E40-Y126 PolarHBondContact OE2-N 3.1Å
41	V	98.3	Very high	97.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130.3	178.3	-175.5	0	0	0	0	107.7	A39 V68 P69 L91 F92 R93 E123 L124 R125	A39-V41 VanDerWaalsContact C-N 3.3Å; V41-V68 HydrophobicContact CG1-CG1 4.23Å; V41-P69 WeakPolarHBondContact O-CD 3.44Å; V41-L91 HydrophobicContact CG1-CD1 3.86Å; V41-L91 HydrophobicContact CG1-CD2 3.88Å; V41-L91 HydrophobicContact CG1-CG 3.8Å; V41-F92 VanDerWaalsContact CA-O 3.28Å; V41-F92 WeakPolarHBondContact CA-O 3.08Å; V41-R93 HydrophobicContact CG1-CB 4.49Å; V41-R93 HydrophobicContact CG2-CB 3.93Å; V41-E123 HydrophobicContact CB-CG 4.41Å; V41-E123 HydrophobicContact CG1-CG 4.3Å; V41-E123 HydrophobicContact CG2-CG 4.18Å; V41-L124 WeakPolarHBondContact CG2-O 3.44Å; V41-R125 HydrophobicContact CG2-CG 3.93Å
42	V	98.8	Very high	97.8	Very high	1 Å²	1	45 Å²	45	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	161.1	172	-57.5	0	0	0	0	110.6	F35 I36 A39 P69 L91 F92	F35-V42 HydrophobicContact CD1-CB 4.07Å; F35-V42 HydrophobicContact CD1-CG1 4.42Å; F35-V42 HydrophobicContact CD1-CG2 3.92Å; F35-V42 HydrophobicContact CE1-CB 3.66Å; F35-V42 HydrophobicContact CE1-CG1 4.16Å; F35-V42 HydrophobicContact CE1-CG2 3.98Å; F35-V42 HydrophobicContact CZ-CB 4.4Å; I36-V42 HydrophobicContact CB-CG2 4.47Å; I36-V42 HydrophobicContact CG1-CG2 4.19Å; A39-V42 HydrophobicContact CB-CG1 3.82Å; V42-P69 WeakPolarHBondContact CA-O 3.35Å; V42-P69 HydrophobicContact CG1-CB 4.16Å; V42-P69 HydrophobicContact CG1-CG 4.24Å; V42-L91 WeakPolarHBondContact O-CA 3.01Å; V42-F92 HydrophobicContact CG2-CB 4.07Å; V42-F92 HydrophobicContact CG2-CD2 4.37Å; V42-F92 PolarHBondContact N-O 3.08Å; V42-F92 PolarHBondContact O-N 2.78Å
43	V	98.7	Very high	97.6	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133	175.8	-177.6	0	0	0	0	109.7	L58 V68 P69 A70 A71 I89 S90 L91 I119	V43-L58 HydrophobicContact CG1-CD1 3.61Å; V43-V68 HydrophobicContact CG2-CG1 3.71Å; V43-P69 PolarHBondContact N-O 3.21Å; V43-A70 CarbonylContact O-C 3.47Å; V43-A70 VanDerWaalsContact O-CA 3.24Å; V43-A70 WeakPolarHBondContact O-CA 3.44Å; V43-A71 PolarHBondContact O-N 3.08Å; V43-I89 HydrophobicContact CG1-CG2 3.57Å; V43-S90 CarbonylContact C-O 3.57Å; V43-S90 WeakPolarHBondContact CA-O 3.39Å; V43-L91 HydrophobicContact CG2-CB 4.25Å; V43-L91 HydrophobicContact CG2-CD1 4.13Å; V43-L91 HydrophobicContact CG2-CG 4.24Å; V43-I119 HydrophobicContact CG2-CD1 4.09Å; V43-I119 HydrophobicContact CG2-CG1 3.95Å; V43-I119 HydrophobicContact CG2-CG2 4.27Å
44	I	98.8	Very high	97.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.2	177.5	-59.9	160.4	0	0	0	109.1	L26 V32 F35 I36 F46 A71 C73 S90 F92	L26-I44 HydrophobicContact CD1-CD1 4.18Å; L26-I44 HydrophobicContact CD1-CG1 4.14Å; L26-I44 HydrophobicContact CD1-CG2 4.16Å; V32-I44 HydrophobicContact CG1-CD1 3.72Å; F35-I44 HydrophobicContact CD1-CD1 3.81Å; F35-I44 HydrophobicContact CD1-CG1 3.61Å; F35-I44 HydrophobicContact CE1-CD1 4.47Å; F35-I44 HydrophobicContact CE1-CG1 3.8Å; I36-I44 HydrophobicContact CD1-CD1 4.24Å; I36-I44 HydrophobicContact CG1-CD1 3.8Å; I44-F46 HydrophobicContact CB-CD2 4.28Å; I44-F46 HydrophobicContact CB-CE2 3.77Å; I44-F46 HydrophobicContact CB-CZ 4.26Å; I44-F46 HydrophobicContact CD1-CZ 4.42Å; I44-F46 HydrophobicContact CG2-CD1 4.49Å; I44-F46 HydrophobicContact CG2-CD2 3.87Å; I44-F46 HydrophobicContact CG2-CE1 4.25Å; I44-F46 HydrophobicContact CG2-CE2 3.6Å; I44-F46 HydrophobicContact CG2-CG 4.35Å; I44-F46 HydrophobicContact CG2-CZ 3.81Å; I44-A71 WeakPolarHBondContact CA-O 3.12Å; I44-C73 HydrophobicContact CG2-CB 4.11Å; I44-S90 PolarHBondContact N-O 3.37Å; I44-S90 PolarHBondContact O-N 3.34Å; I44-F92 HydrophobicContact CB-CE2 4.23Å; I44-F92 HydrophobicContact CD1-CD2 3.89Å; I44-F92 HydrophobicContact CD1-CE2 3.64Å; I44-F92 HydrophobicContact CG1-CD2 4.46Å; I44-F92 HydrophobicContact CG1-CE2 4.3Å
45	G	98.7	Very high	97.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.1	164.9	0	0	0	0	0	110.1	L47 A71 I72 C73	G45-L47 PolarHBondContact O-N 3.01Å; G45-A71 PolarHBondContact N-O 2.96Å; G45-I72 CarbonylContact O-C 3.58Å; G45-I72 VanDerWaalsContact O-CA 3.28Å; G45-I72 WeakPolarHBondContact O-CA 3.11Å; G45-I72 VanDerWaalsContact O-CG1 3.32Å; G45-I72 WeakPolarHBondContact O-CG1 3.38Å; G45-C73 PolarHBondContact O-N 2.82Å
46	F	98.7	Very high	97.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	87.9	167.7	-64.4	-93.7	0	0	0	107.4	V32 I44 C73 W79 F82 I84 G87 T88 F92	V32-F46 HydrophobicContact CG1-CE1 4.35Å; V32-F46 HydrophobicContact CG1-CZ 4.09Å; I44-F46 HydrophobicContact CB-CD2 4.28Å; I44-F46 HydrophobicContact CB-CE2 3.77Å; I44-F46 HydrophobicContact CB-CZ 4.26Å; I44-F46 HydrophobicContact CD1-CZ 4.42Å; I44-F46 HydrophobicContact CG2-CD1 4.49Å; I44-F46 HydrophobicContact CG2-CD2 3.87Å; I44-F46 HydrophobicContact CG2-CE1 4.25Å; I44-F46 HydrophobicContact CG2-CE2 3.6Å; I44-F46 HydrophobicContact CG2-CG 4.35Å; I44-F46 HydrophobicContact CG2-CZ 3.81Å; F46-C73 HydrophobicContact CD1-CB 3.75Å; F46-C73 HydrophobicContact CE1-CB 3.95Å; F46-W79 VanDerWaalsContact C-CZ2 3.42Å; F46-W79 HydrophobicContact CB-CD2 4.04Å; F46-W79 HydrophobicContact CB-CG 4.17Å; F46-W79 HydrophobicContact CB-CZ2 4.43Å; F46-W79 HydrophobicContact CD1-CB 4.48Å; F46-W79 AromaticContact CD1-CD1 3.48Å; F46-W79 VanDerWaalsContact CD1-CD1 3.48Å; F46-W79 AromaticContact CD1-CG 3.99Å; F46-W79 HydrophobicContact CD1-CG 3.99Å; F46-W79 AromaticContact CD1-NE1 3.88Å; F46-F82 AromaticContact CE1-CD2 3.95Å; F46-F82 HydrophobicContact CE1-CD2 3.95Å; F46-F82 HydrophobicContact CE1-CG 4.39Å; F46-F82 HydrophobicContact CZ-CB 4.22Å; F46-F82 HydrophobicContact CZ-CD2 4.05Å; F46-F82 HydrophobicContact CZ-CG 4.08Å; F46-I84 HydrophobicContact CB-CD1 4.09Å; F46-I84 HydrophobicContact CB-CG2 4.02Å; F46-I84 HydrophobicContact CD1-CD1 3.95Å; F46-I84 HydrophobicContact CD2-CD1 3.1Å; F46-I84 HydrophobicContact CE1-CD1 4.1Å; F46-I84 HydrophobicContact CE2-CD1 3.25Å; F46-I84 HydrophobicContact CG-CD1 3.45Å; F46-I84 VanDerWaalsContact CG-CD1 3.45Å; F46-I84 HydrophobicContact CG-CG2 4.44Å; F46-I84 HydrophobicContact CZ-CD1 3.76Å; F46-G87 WeakPolarHBondContact O-CA 3.48Å; F46-T88 PolarHBondContact N-O 2.87Å; F46-T88 PolarHBondContact O-N 3.37Å; F46-T88 VanDerWaalsContact O-N 3.08Å; F46-F92 AromaticContact CE2-CE2 3.86Å; F46-F92 HydrophobicContact CE2-CE2 3.86Å; F46-F92 AromaticContact CE2-CZ 3.93Å; F46-F92 HydrophobicContact CE2-CZ 3.93Å; F46-F92 HydrophobicContact CZ-CE2 4.21Å; F46-F92 HydrophobicContact CZ-CZ 4.06Å
47	L	98.3	Very high	97.3	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.239	C	C	.	.			trans	-131.2	147.8	-168.6	-55.7	177.6	0	0	0	109.6	G45 N49 Y55 I72 C73 T74 W79 L104	G45-L47 PolarHBondContact O-N 3.01Å; L47-N49 PolarHBondContact O-N 3.26Å; L47-Y55 HydrophobicContact CD1-CD2 4.35Å; L47-I72 HydrophobicContact CB-CD1 4.15Å; L47-I72 HydrophobicContact CB-CG1 4.34Å; L47-C73 PolarHBondContact N-O 3.07Å; L47-T74 VanDerWaalsContact O-CA 3.24Å; L47-T74 WeakPolarHBondContact O-CA 3.33Å; L47-T74 WeakPolarHBondContact O-CG2 3.49Å; L47-W79 VanDerWaalsContact C-CZ2 3.43Å; L47-L104 HydrophobicContact CD2-CD1 3.4Å; L47-L104 VanDerWaalsContact CD2-CD1 3.4Å
48	E	96.5	Very high	97.3	Very high	110 Å²	110	41.9 Å²	41.9	51%	0.514	21%	0.212	S	C	.	.	S	Bend	trans	-65.2	-30.7	-174.3	-58.6	-168.5	161.9	0	0	112.8	S52 K76 W79	E48-S52 PolarHBondContact N-OG 2.93Å; E48-K76 WeakPolarHBondContact OE1-CE 3.38Å; E48-K76 IonicContact OE1-NZ 2.66Å; E48-K76 PolarHBondContact OE1-NZ 3Å; E48-W79 HydrophobicContact CG-CH2 4.03Å
49	N	95.9	Very high	97.2	Very high	65 Å²	65	39.4 Å²	39.4	35%	0.348	19%	0.192	S	C	.	.	S	Bend	trans	-171.8	-177	-179.8	51.7	52.7	0	0	0	110.1	L47 E51 S52	L47-N49 PolarHBondContact O-N 3.26Å; N49-E51 PolarHBondContact O-N 3.35Å; N49-E51 WeakPolarHBondContact OD1-CA 3.46Å; N49-E51 WeakPolarHBondContact OD1-CB 3.5Å; N49-E51 PolarHBondContact OD1-N 2.92Å; N49-S52 PolarHBondContact N-OG 2.7Å; N49-S52 VanDerWaalsContact N-OG 3.16Å; N49-S52 WeakPolarHBondContact O-CB 3.34Å; N49-S52 PolarHBondContact O-N 3.28Å; N49-S52 PolarHBondContact O-OG 3.36Å; N49-S52 VanDerWaalsContact O-OG 3.05Å; N49-S52 PolarHBondContact OD1-N 3.24Å; N49-S52 PolarHBondContact OD1-OG 3.23Å
50	E	95.8	Very high	97.2	Very high	78 Å²	78	42.6 Å²	42.6	36%	0.364	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.4	178.4	-58.3	-177.1	-146	0	0	113.6	K25 S52 Y55	K25-E50 WeakPolarHBondContact CE-OE1 3.4Å; K25-E50 IonicContact NZ-OE1 2.72Å; K25-E50 PolarHBondContact NZ-OE1 3.32Å; E50-S52 VanDerWaalsContact C-N 3.32Å; E50-Y55 HydrophobicContact CB-CD1 3.8Å; E50-Y55 HydrophobicContact CB-CD2 4.35Å; E50-Y55 HydrophobicContact CB-CE1 3.55Å; E50-Y55 HydrophobicContact CB-CE2 4.14Å; E50-Y55 HydrophobicContact CB-CG 4.17Å; E50-Y55 VanDerWaalsContact CD-OH 3.26Å; E50-Y55 HydrophobicContact CG-CD1 4.44Å; E50-Y55 HydrophobicContact CG-CD2 4.31Å; E50-Y55 HydrophobicContact CG-CE1 3.86Å; E50-Y55 HydrophobicContact CG-CE2 3.73Å; E50-Y55 VanDerWaalsContact CG-CZ 3.45Å; E50-Y55 WeakPolarHBondContact O-CB 3.31Å; E50-Y55 WeakPolarHBondContact O-CD1 3.28Å; E50-Y55 PolarHBondContact OE2-OH 3.39Å
51	E	95.2	Very high	97.1	Very high	183 Å²	183	39.5 Å²	39.5	86%	0.855	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.2	174.1	-56.7	-179.8	178.6	0	0	112.3	N49	N49-E51 PolarHBondContact O-N 3.35Å; N49-E51 WeakPolarHBondContact OD1-CA 3.46Å; N49-E51 WeakPolarHBondContact OD1-CB 3.5Å; N49-E51 PolarHBondContact OD1-N 2.92Å
52	S	95.8	Very high	97	Very high	26 Å²	26	40.9 Å²	40.9	18%	0.182	20%	0.199	C	C	.	.	S	Bend	trans	-68	143.2	-178.9	-63.3	0	0	0	0	111.1	E48 N49 E50 G54 Y55	E48-S52 PolarHBondContact N-OG 2.93Å; N49-S52 PolarHBondContact N-OG 2.7Å; N49-S52 VanDerWaalsContact N-OG 3.16Å; N49-S52 WeakPolarHBondContact O-CB 3.34Å; N49-S52 PolarHBondContact O-N 3.28Å; N49-S52 PolarHBondContact O-OG 3.36Å; N49-S52 VanDerWaalsContact O-OG 3.05Å; N49-S52 PolarHBondContact OD1-N 3.24Å; N49-S52 PolarHBondContact OD1-OG 3.23Å; E50-S52 VanDerWaalsContact C-N 3.32Å; S52-G54 PolarHBondContact O-N 3.08Å; S52-Y55 WeakPolarHBondContact O-CB 3.32Å; S52-Y55 PolarHBondContact O-N 2.92Å; S52-Y55 VanDerWaalsContact O-N 3.11Å
53	F	95.4	Very high	96.7	Very high	100 Å²	100	46.8 Å²	46.8	44%	0.439	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	131.2	170.5	175.3	-116.3	0	0	0	109.9	L104 L110	F53-L104 HydrophobicContact CD1-CB 4.05Å; F53-L104 HydrophobicContact CD1-CD1 4.47Å; F53-L104 HydrophobicContact CE1-CB 4.29Å; F53-L104 WeakPolarHBondContact O-CD1 3.48Å; F53-L110 HydrophobicContact CE1-CB 4.28Å; F53-L110 HydrophobicContact CE2-CB 4.05Å; F53-L110 HydrophobicContact CZ-CB 3.57Å
54	G	95.8	Very high	96.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-12.2	-179	0	0	0	0	0	116.4	S52 E57 L58	S52-G54 PolarHBondContact O-N 3.08Å; G54-E57 WeakPolarHBondContact CA-OE2 3.22Å; G54-E57 PolarHBondContact N-OE2 3.02Å; G54-L58 VanDerWaalsContact O-CB 3.29Å; G54-L58 WeakPolarHBondContact O-CB 3.32Å; G54-L58 PolarHBondContact O-N 2.65Å
55	Y	97.6	Very high	96.1	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.012	25%	0.25	C	S	.	.	H	α-helix	trans	-65.4	-53.4	178.1	176.6	-102.3	0	0	0	112.3	L23 L47 E50 S52 E57 L58 L59 I72	L23-Y55 HydrophobicContact CB-CE2 4.33Å; L23-Y55 HydrophobicContact CD1-CD2 4.21Å; L23-Y55 HydrophobicContact CD1-CE2 3.88Å; L23-Y55 HydrophobicContact CG-CE2 4.16Å; L47-Y55 HydrophobicContact CD1-CD2 4.35Å; E50-Y55 HydrophobicContact CB-CD1 3.8Å; E50-Y55 HydrophobicContact CB-CD2 4.35Å; E50-Y55 HydrophobicContact CB-CE1 3.55Å; E50-Y55 HydrophobicContact CB-CE2 4.14Å; E50-Y55 HydrophobicContact CB-CG 4.17Å; E50-Y55 VanDerWaalsContact CD-OH 3.26Å; E50-Y55 HydrophobicContact CG-CD1 4.44Å; E50-Y55 HydrophobicContact CG-CD2 4.31Å; E50-Y55 HydrophobicContact CG-CE1 3.86Å; E50-Y55 HydrophobicContact CG-CE2 3.73Å; E50-Y55 VanDerWaalsContact CG-CZ 3.45Å; E50-Y55 WeakPolarHBondContact O-CB 3.31Å; E50-Y55 WeakPolarHBondContact O-CD1 3.28Å; E50-Y55 PolarHBondContact OE2-OH 3.39Å; S52-Y55 WeakPolarHBondContact O-CB 3.32Å; S52-Y55 PolarHBondContact O-N 2.92Å; S52-Y55 VanDerWaalsContact O-N 3.11Å; Y55-E57 VanDerWaalsContact C-N 3.3Å; Y55-E57 PolarHBondContact O-N 3.37Å; Y55-L58 WeakPolarHBondContact O-CB 3.21Å; Y55-L58 PolarHBondContact O-N 2.85Å; Y55-L58 VanDerWaalsContact O-N 3.12Å; Y55-L59 HydrophobicContact CE1-CD2 4.4Å; Y55-L59 PolarHBondContact O-N 2.66Å; Y55-I72 HydrophobicContact CD2-CD1 3.77Å; Y55-I72 HydrophobicContact CE2-CD1 3.91Å
56	E	96.9	Very high	95.3	Very high	105 Å²	105	58.4 Å²	58.4	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-40.8	179.7	-69.2	-62.1	148.3	0	0	111	L58 L59 E60	E56-L58 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 2.84Å; E56-L59 PolarHBondContact O-N 3.33Å; E56-E60 WeakPolarHBondContact O-CB 3.45Å; E56-E60 WeakPolarHBondContact O-CG 3.38Å; E56-E60 PolarHBondContact O-N 3.17Å
57	E	97.3	Very high	94.8	Very high	43 Å²	43	65.6 Å²	65.6	20%	0.201	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-38.2	175.9	-66.1	82	179.3	0	0	112.5	G54 Y55 A61 L110 L115	G54-E57 WeakPolarHBondContact CA-OE2 3.22Å; G54-E57 PolarHBondContact N-OE2 3.02Å; Y55-E57 VanDerWaalsContact C-N 3.3Å; Y55-E57 PolarHBondContact O-N 3.37Å; E57-A61 WeakPolarHBondContact O-CB 3.38Å; E57-A61 PolarHBondContact O-N 3.05Å; E57-L110 HydrophobicContact CB-CD2 4.14Å; E57-L110 HydrophobicContact CB-CG 4.13Å; E57-L110 HydrophobicContact CG-CB 4.47Å; E57-L110 HydrophobicContact CG-CD2 4.44Å; E57-L110 HydrophobicContact CG-CG 4.09Å; E57-L115 HydrophobicContact CB-CD2 4.48Å
58	L	97.8	Very high	94.8	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-67	-44.7	174.9	179.4	60.3	0	0	0	111.9	L23 V43 G54 Y55 E56 A61 S62 I89 L115	L23-L58 HydrophobicContact CD1-CB 4.3Å; L23-L58 HydrophobicContact CD1-CD2 3.56Å; L23-L58 HydrophobicContact CD1-CG 3.66Å; V43-L58 HydrophobicContact CG1-CD1 3.61Å; G54-L58 VanDerWaalsContact O-CB 3.29Å; G54-L58 WeakPolarHBondContact O-CB 3.32Å; G54-L58 PolarHBondContact O-N 2.65Å; Y55-L58 WeakPolarHBondContact O-CB 3.21Å; Y55-L58 PolarHBondContact O-N 2.85Å; Y55-L58 VanDerWaalsContact O-N 3.12Å; E56-L58 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 2.84Å; L58-A61 PolarHBondContact O-N 2.89Å; L58-S62 WeakPolarHBondContact O-CB 3.37Å; L58-S62 PolarHBondContact O-N 2.93Å; L58-S62 PolarHBondContact O-OG 3.42Å; L58-I89 HydrophobicContact CB-CD1 4.19Å; L58-I89 HydrophobicContact CD1-CG2 4.04Å; L58-L115 HydrophobicContact CB-CD2 3.91Å; L58-L115 HydrophobicContact CD1-CD2 3.95Å
59	L	96.9	Very high	94.8	Very high	23 Å²	23	63 Å²	63	12%	0.12	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-49.8	175.7	179.8	59.6	0	0	0	110.7	L23 Y55 E56 A61 S62 Q63	L23-L59 HydrophobicContact CD2-CD1 3.96Å; L23-L59 HydrophobicContact CG-CD1 4.15Å; Y55-L59 HydrophobicContact CE1-CD2 4.4Å; Y55-L59 PolarHBondContact O-N 2.66Å; E56-L59 PolarHBondContact O-N 3.33Å; L59-A61 PolarHBondContact O-N 3.28Å; L59-S62 PolarHBondContact O-N 3.38Å; L59-S62 PolarHBondContact O-OG 3.33Å; L59-Q63 WeakPolarHBondContact O-CG 3.03Å; L59-Q63 PolarHBondContact O-N 3.04Å
60	E	96.4	Very high	94.9	Very high	89 Å²	89	60.8 Å²	60.8	42%	0.416	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-44	176.3	-75.5	-172.6	-176.8	0	0	112.6	E56 Q63 K64 S112	E56-E60 WeakPolarHBondContact O-CB 3.45Å; E56-E60 WeakPolarHBondContact O-CG 3.38Å; E56-E60 PolarHBondContact O-N 3.17Å; E60-Q63 PolarHBondContact O-N 3.32Å; E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 3.05Å; E60-S112 WeakPolarHBondContact OE2-CB 3.16Å; E60-S112 PolarHBondContact OE2-OG 2.74Å
61	A	96.5	Very high	95.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-39.7	179.6	0	0	0	0	0	111.7	E57 L58 L59 Q63 K64 V65 L115 V116 I119	E57-A61 WeakPolarHBondContact O-CB 3.38Å; E57-A61 PolarHBondContact O-N 3.05Å; L58-A61 PolarHBondContact O-N 2.89Å; L59-A61 PolarHBondContact O-N 3.28Å; A61-Q63 PolarHBondContact O-N 2.85Å; A61-K64 PolarHBondContact O-N 3.24Å; A61-V65 PolarHBondContact O-N 2.76Å; A61-L115 HydrophobicContact CB-CB 4Å; A61-L115 HydrophobicContact CB-CD2 3.83Å; A61-L115 HydrophobicContact CB-CG 3.9Å; A61-V116 HydrophobicContact CB-CG2 3.89Å; A61-I119 HydrophobicContact CB-CD1 4.24Å
62	S	94.6	Very high	95.2	Very high	30 Å²	30	48.4 Å²	48.4	21%	0.21	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-25.6	177.1	76.1	0	0	0	0	113.3	L58 L59 A70	L58-S62 WeakPolarHBondContact O-CB 3.37Å; L58-S62 PolarHBondContact O-N 2.93Å; L58-S62 PolarHBondContact O-OG 3.42Å; L59-S62 PolarHBondContact O-N 3.38Å; L59-S62 PolarHBondContact O-OG 3.33Å; S62-A70 VanDerWaalsContact CB-CB 3.45Å
63	Q	93.8	Very high	95.4	Very high	125 Å²	125	47.2 Å²	47.2	58%	0.584	24%	0.238	S	C	*	.	H	α-helix	trans	-83	-17.5	175.4	-64.1	170.4	14.5	0	0	112.9	L59 E60 A61	L59-Q63 WeakPolarHBondContact O-CG 3.03Å; L59-Q63 PolarHBondContact O-N 3.04Å; E60-Q63 PolarHBondContact O-N 3.32Å; A61-Q63 PolarHBondContact O-N 2.85Å
64	K	93.9	Very high	95.5	Very high	103 Å²	103	44.6 Å²	44.6	45%	0.448	23%	0.231	S	C	.	.	H	α-helix	trans	-98	-28.9	-179.6	-68.9	173.1	178.8	177.2	0	112.7	E60 A61 S112 D113 V116	E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 3.05Å; A61-K64 PolarHBondContact O-N 3.24Å; K64-S112 PolarHBondContact NZ-OG 2.93Å; K64-D113 IonicContact NZ-OD1 3.63Å; K64-D113 PolarHBondContact NZ-OD1 3.32Å; K64-V116 HydrophobicContact CB-CG2 3.8Å; K64-V116 HydrophobicContact CD-CG2 3.79Å; K64-V116 HydrophobicContact CG-CG2 4.46Å
65	V	89.7	Confident	95.5	Very high	10 Å²	10	46.4 Å²	46.4	6%	0.061	24%	0.242	C	C	.	.	S	Bend	trans	-96.4	98.5	177.8	-172.9	0	0	0	0	109.3	A61 V68 V116 I119	A61-V65 PolarHBondContact O-N 2.76Å; V65-V68 HydrophobicContact CG1-CB 4.05Å; V65-V68 HydrophobicContact CG1-CG2 3.69Å; V65-V116 HydrophobicContact CG2-CB 4.26Å; V65-V116 HydrophobicContact CG2-CG1 3.98Å; V65-V116 HydrophobicContact CG2-CG2 4.08Å; V65-I119 HydrophobicContact CB-CG2 4.36Å; V65-I119 HydrophobicContact CG1-CG2 3.81Å; V65-I119 HydrophobicContact CG2-CB 4.28Å; V65-I119 HydrophobicContact CG2-CD1 4.31Å; V65-I119 HydrophobicContact CG2-CG2 4.24Å
66	D	83.3	Confident	95.4	Very high	132 Å²	132	51.4 Å²	51.4	71%	0.706	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	143.7	177.1	-67.9	-32.6	0	0	0	111.1	V68	D66-V68 PolarHBondContact O-N 3.49Å
67	L	88.6	Confident	95.4	Very high	151 Å²	151	53.4 Å²	53.4	79%	0.791	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	18.2	169.7	-48.4	174.9	0	0	0	116	R125	L67-R125 PolarHBondContact O-NH2 3.4Å
68	V	96.7	Very high	95.4	Very high	10 Å²	10	51.7 Å²	51.7	6%	0.061	27%	0.265	C	S	.	.			trans	-114.4	101.5	167.5	-178.1	0	0	0	0	108.7	V41 V43 V65 D66 A70 I119 E123	V41-V68 HydrophobicContact CG1-CG1 4.23Å; V43-V68 HydrophobicContact CG2-CG1 3.71Å; V65-V68 HydrophobicContact CG1-CB 4.05Å; V65-V68 HydrophobicContact CG1-CG2 3.69Å; D66-V68 PolarHBondContact O-N 3.49Å; V68-A70 PolarHBondContact O-N 3.46Å; V68-I119 HydrophobicContact CB-CG2 4.32Å; V68-I119 HydrophobicContact CG1-CG2 4.01Å; V68-I119 HydrophobicContact CG2-CG2 4.16Å; V68-E123 HydrophobicContact CG2-CG 4Å
69	P	97.6	Very high	95.4	Very high	47 Å²	47	52.2 Å²	52.2	31%	0.305	27%	0.267	S	S	.	.			trans	-58.3	138	177.1	-24.1	34.5	0	0	0	111.6	F35 A39 V41 V42 V43	F35-P69 HydrophobicContact CE2-CB 4.1Å; F35-P69 HydrophobicContact CZ-CB 3.68Å; A39-P69 HydrophobicContact CB-CG 4Å; V41-P69 WeakPolarHBondContact O-CD 3.44Å; V42-P69 WeakPolarHBondContact CA-O 3.35Å; V42-P69 HydrophobicContact CG1-CB 4.16Å; V42-P69 HydrophobicContact CG1-CG 4.24Å; V43-P69 PolarHBondContact N-O 3.21Å
70	A	98.2	Very high	95.3	Very high	19 Å²	19	54.6 Å²	54.6	16%	0.157	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.2	176.4	0	0	0	0	0	111.6	L23 V43 S62 V68	L23-A70 HydrophobicContact CD2-CB 3.81Å; V43-A70 CarbonylContact O-C 3.47Å; V43-A70 VanDerWaalsContact O-CA 3.24Å; V43-A70 WeakPolarHBondContact O-CA 3.44Å; S62-A70 VanDerWaalsContact CB-CB 3.45Å; V68-A70 PolarHBondContact O-N 3.46Å
71	A	98.6	Very high	95.4	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	173	177.8	0	0	0	0	0	111.3	Q24 L26 F35 V43 I44 G45	Q24-A71 HydrophobicContact CB-CB 4.22Å; Q24-A71 CarbonylContact O-C 3.52Å; Q24-A71 WeakPolarHBondContact O-CA 3.25Å; Q24-A71 WeakPolarHBondContact O-CB 3.2Å; L26-A71 HydrophobicContact CD1-CB 3.6Å; L26-A71 HydrophobicContact CD2-CB 4.38Å; L26-A71 HydrophobicContact CG-CB 3.94Å; F35-A71 HydrophobicContact CD1-CB 3.91Å; F35-A71 HydrophobicContact CD2-CB 4.12Å; F35-A71 HydrophobicContact CE1-CB 3.49Å; F35-A71 VanDerWaalsContact CE1-CB 3.49Å; F35-A71 HydrophobicContact CE2-CB 3.75Å; F35-A71 HydrophobicContact CG-CB 4.19Å; F35-A71 HydrophobicContact CZ-CB 3.41Å; F35-A71 VanDerWaalsContact CZ-CB 3.41Å; V43-A71 PolarHBondContact O-N 3.08Å; I44-A71 WeakPolarHBondContact CA-O 3.12Å; G45-A71 PolarHBondContact N-O 2.96Å
72	I	98.6	Very high	95.4	Very high	1 Å²	1	56 Å²	56	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.3	174.7	-171.4	-176.8	0	0	0	110.4	L23 Q24 K25 L26 G45 L47 Y55 T74	L23-I72 HydrophobicContact CB-CB 4.37Å; L23-I72 HydrophobicContact CB-CG2 4.16Å; Q24-I72 PolarHBondContact O-N 2.86Å; K25-I72 CarbonylContact C-O 3.59Å; K25-I72 WeakPolarHBondContact CA-O 3.5Å; K25-I72 HydrophobicContact CG-CG2 3.88Å; L26-I72 PolarHBondContact N-O 2.79Å; G45-I72 CarbonylContact O-C 3.58Å; G45-I72 VanDerWaalsContact O-CA 3.28Å; G45-I72 WeakPolarHBondContact O-CA 3.11Å; G45-I72 VanDerWaalsContact O-CG1 3.32Å; G45-I72 WeakPolarHBondContact O-CG1 3.38Å; L47-I72 HydrophobicContact CB-CD1 4.15Å; L47-I72 HydrophobicContact CB-CG1 4.34Å; Y55-I72 HydrophobicContact CD2-CD1 3.77Å; Y55-I72 HydrophobicContact CE2-CD1 3.91Å; I72-T74 HydrophobicContact CD1-CG2 3.76Å; I72-T74 HydrophobicContact CG1-CG2 4.05Å
73	C	98.6	Very high	95.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	110	171.5	177.4	0	0	0	0	109.4	L26 V32 I44 G45 F46 L47 W79	L26-C73 HydrophobicContact CB-CB 4.28Å; V32-C73 HydrophobicContact CG2-CB 4.15Å; I44-C73 HydrophobicContact CG2-CB 4.11Å; G45-C73 PolarHBondContact O-N 2.82Å; F46-C73 HydrophobicContact CD1-CB 3.75Å; F46-C73 HydrophobicContact CE1-CB 3.95Å; L47-C73 PolarHBondContact N-O 3.07Å; C73-W79 PolarHBondContact O-NE1 3.44Å
74	T	97.8	Very high	95.8	Very high	45 Å²	45	54.2 Å²	54.2	28%	0.276	30%	0.3	S	S	.	.			trans	-94.4	-6.7	-178.3	61.5	0	0	0	0	114.2	L47 I72 K76	L47-T74 VanDerWaalsContact O-CA 3.24Å; L47-T74 WeakPolarHBondContact O-CA 3.33Å; L47-T74 WeakPolarHBondContact O-CG2 3.49Å; I72-T74 HydrophobicContact CD1-CG2 3.76Å; I72-T74 HydrophobicContact CG1-CG2 4.05Å; T74-K76 PolarHBondContact O-N 2.9Å
75	V	97.4	Very high	95.8	Very high	39 Å²	39	55 Å²	55	24%	0.236	32%	0.318	C	S	.	.			trans	-86.2	103.3	-175.4	-174.3	0	0	0	0	109.9	D27 E77 V78 W79	D27-V75 WeakPolarHBondContact O-CG2 3.42Å; V75-E77 HydrophobicContact CG1-CB 4.44Å; V75-E77 VanDerWaalsContact CG1-OE2 3.3Å; V75-E77 WeakPolarHBondContact CG1-OE2 3.26Å; V75-E77 PolarHBondContact O-N 2.91Å; V75-V78 HydrophobicContact CB-CB 4.43Å; V75-V78 HydrophobicContact CB-CG2 3.89Å; V75-V78 HydrophobicContact CG1-CG2 3.8Å; V75-V78 WeakPolarHBondContact O-CB 3.41Å; V75-V78 PolarHBondContact O-N 3.49Å; V75-W79 PolarHBondContact O-NE1 3.08Å
76	K	95.3	Very high	96.2	Very high	107 Å²	107	55.7 Å²	55.7	47%	0.465	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-31.8	-173.4	-74.9	-170.6	174.8	-175.8	0	113.6	E48 T74 V78 W79	E48-K76 WeakPolarHBondContact OE1-CE 3.38Å; E48-K76 IonicContact OE1-NZ 2.66Å; E48-K76 PolarHBondContact OE1-NZ 3Å; T74-K76 PolarHBondContact O-N 2.9Å; K76-V78 PolarHBondContact O-N 3.18Å; K76-W79 HydrophobicContact CG-CD2 4.38Å; K76-W79 HydrophobicContact CG-CE3 4.4Å; K76-W79 HydrophobicContact CG-CH2 4.26Å; K76-W79 HydrophobicContact CG-CZ2 4.21Å; K76-W79 HydrophobicContact CG-CZ3 4.35Å; K76-W79 WeakPolarHBondContact O-CB 3.46Å; K76-W79 PolarHBondContact O-N 2.85Å; K76-W79 VanDerWaalsContact O-N 3.16Å
77	E	95.8	Very high	96.9	Very high	148 Å²	148	50.4 Å²	50.4	69%	0.692	30%	0.3	S	S	*	.	H	α-helix	trans	-61.5	-33.6	177.5	-63.3	72.8	-160.5	0	0	111.4	V75	V75-E77 HydrophobicContact CG1-CB 4.44Å; V75-E77 VanDerWaalsContact CG1-OE2 3.3Å; V75-E77 WeakPolarHBondContact CG1-OE2 3.26Å; V75-E77 PolarHBondContact O-N 2.91Å
78	V	97.8	Very high	97.4	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-72.5	-29.2	177.9	178.6	0	0	0	0	111.6	V32 V75 K76 A80 D81 F82	V32-V78 HydrophobicContact CB-CG1 4.43Å; V32-V78 HydrophobicContact CG2-CG1 3.77Å; V75-V78 HydrophobicContact CB-CB 4.43Å; V75-V78 HydrophobicContact CB-CG2 3.89Å; V75-V78 HydrophobicContact CG1-CG2 3.8Å; V75-V78 WeakPolarHBondContact O-CB 3.41Å; V75-V78 PolarHBondContact O-N 3.49Å; K76-V78 PolarHBondContact O-N 3.18Å; V78-A80 VanDerWaalsContact C-N 3.25Å; V78-A80 PolarHBondContact O-N 3.12Å; V78-D81 WeakPolarHBondContact O-CB 3.34Å; V78-D81 PolarHBondContact O-N 3.11Å; V78-D81 VanDerWaalsContact O-N 3.14Å; V78-F82 HydrophobicContact CG1-CD2 4.27Å; V78-F82 HydrophobicContact CG1-CE2 3.85Å; V78-F82 WeakPolarHBondContact O-CD2 3.17Å
79	W	97.9	Very high	97.5	Very high	11 Å²	11	42.9 Å²	42.9	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-36.9	-175.5	-61.9	10.2	0	0	0	112	F46 L47 E48 C73 V75 K76 D81 F82 S83 I84	F46-W79 VanDerWaalsContact C-CZ2 3.42Å; F46-W79 HydrophobicContact CB-CD2 4.04Å; F46-W79 HydrophobicContact CB-CG 4.17Å; F46-W79 HydrophobicContact CB-CZ2 4.43Å; F46-W79 HydrophobicContact CD1-CB 4.48Å; F46-W79 AromaticContact CD1-CD1 3.48Å; F46-W79 VanDerWaalsContact CD1-CD1 3.48Å; F46-W79 AromaticContact CD1-CG 3.99Å; F46-W79 HydrophobicContact CD1-CG 3.99Å; F46-W79 AromaticContact CD1-NE1 3.88Å; L47-W79 VanDerWaalsContact C-CZ2 3.43Å; E48-W79 HydrophobicContact CG-CH2 4.03Å; C73-W79 PolarHBondContact O-NE1 3.44Å; V75-W79 PolarHBondContact O-NE1 3.08Å; K76-W79 HydrophobicContact CG-CD2 4.38Å; K76-W79 HydrophobicContact CG-CE3 4.4Å; K76-W79 HydrophobicContact CG-CH2 4.26Å; K76-W79 HydrophobicContact CG-CZ2 4.21Å; K76-W79 HydrophobicContact CG-CZ3 4.35Å; K76-W79 WeakPolarHBondContact O-CB 3.46Å; K76-W79 PolarHBondContact O-N 2.85Å; K76-W79 VanDerWaalsContact O-N 3.16Å; W79-D81 VanDerWaalsContact C-N 3.26Å; W79-D81 PolarHBondContact O-N 3.27Å; W79-F82 CarbonylContact O-C 3.58Å; W79-F82 PolarHBondContact O-N 3.22Å; W79-F82 VanDerWaalsContact O-N 3.08Å; W79-S83 PolarHBondContact O-N 3.27Å; W79-I84 CarbonylContact C-O 3.55Å; W79-I84 HydrophobicContact CB-CB 4.07Å; W79-I84 HydrophobicContact CB-CG2 4.14Å; W79-I84 WeakPolarHBondContact CB-O 3.48Å; W79-I84 HydrophobicContact CD2-CG2 4.43Å; W79-I84 HydrophobicContact CE3-CG2 4.2Å; W79-I84 HydrophobicContact CG-CG2 4.46Å; W79-I84 WeakPolarHBondContact O-CB 3.49Å; W79-I84 PolarHBondContact O-N 2.99Å
80	A	95.3	Very high	97.5	Very high	72 Å²	72	40.7 Å²	40.7	60%	0.595	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-62.6	-32	-180	0	0	0	0	0	112.8	V78 F82 S83	V78-A80 VanDerWaalsContact C-N 3.25Å; V78-A80 PolarHBondContact O-N 3.12Å; A80-F82 PolarHBondContact O-N 3.39Å; A80-S83 PolarHBondContact O-N 2.87Å; A80-S83 VanDerWaalsContact O-N 3.1Å
81	D	96.9	Very high	97.5	Very high	99 Å²	99	39.8 Å²	39.8	53%	0.529	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-64.9	-21	177.5	-69.6	-16.6	0	0	0	112.5	T29 V78 W79	T29-D81 WeakPolarHBondContact CB-OD2 3.24Å; T29-D81 HydrophobicContact CG2-CB 4.21Å; T29-D81 WeakPolarHBondContact CG2-OD2 3.42Å; T29-D81 PolarHBondContact OG1-OD2 3.29Å; V78-D81 WeakPolarHBondContact O-CB 3.34Å; V78-D81 PolarHBondContact O-N 3.11Å; V78-D81 VanDerWaalsContact O-N 3.14Å; W79-D81 VanDerWaalsContact C-N 3.26Å; W79-D81 PolarHBondContact O-N 3.27Å
82	F	97.6	Very high	97.5	Very high	20 Å²	20	40.5 Å²	40.5	9%	0.088	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-109.4	17.8	178.1	-59.4	-83.1	0	0	0	112.6	T29 V32 K33 I36 F46 V78 W79 A80 I84 F92 Q99	T29-F82 HydrophobicContact CG2-CE2 4.39Å; T29-F82 HydrophobicContact CG2-CZ 4.5Å; V32-F82 HydrophobicContact CB-CE2 3.76Å; V32-F82 HydrophobicContact CB-CZ 3.71Å; V32-F82 HydrophobicContact CG1-CD2 4.11Å; V32-F82 HydrophobicContact CG1-CE1 3.85Å; V32-F82 HydrophobicContact CG1-CE2 3.39Å; V32-F82 HydrophobicContact CG1-CZ 3.23Å; V32-F82 HydrophobicContact CG2-CE2 4.37Å; K33-F82 HydrophobicContact CG-CE1 4.46Å; K33-F82 HydrophobicContact CG-CZ 4.04Å; I36-F82 HydrophobicContact CD1-CD1 4.06Å; I36-F82 HydrophobicContact CD1-CE1 3.46Å; I36-F82 VanDerWaalsContact CD1-CE1 3.46Å; I36-F82 HydrophobicContact CD1-CZ 4.19Å; F46-F82 AromaticContact CE1-CD2 3.95Å; F46-F82 HydrophobicContact CE1-CD2 3.95Å; F46-F82 HydrophobicContact CE1-CG 4.39Å; F46-F82 HydrophobicContact CZ-CB 4.22Å; F46-F82 HydrophobicContact CZ-CD2 4.05Å; F46-F82 HydrophobicContact CZ-CG 4.08Å; V78-F82 HydrophobicContact CG1-CD2 4.27Å; V78-F82 HydrophobicContact CG1-CE2 3.85Å; V78-F82 WeakPolarHBondContact O-CD2 3.17Å; W79-F82 CarbonylContact O-C 3.58Å; W79-F82 PolarHBondContact O-N 3.22Å; W79-F82 VanDerWaalsContact O-N 3.08Å; A80-F82 PolarHBondContact O-N 3.39Å; F82-I84 VanDerWaalsContact C-N 3.25Å; F82-I84 HydrophobicContact CB-CD1 4.1Å; F82-I84 HydrophobicContact CB-CG1 4.4Å; F82-I84 PolarHBondContact O-N 3.33Å; F82-F92 AromaticContact CD1-CE1 3.94Å; F82-F92 HydrophobicContact CD1-CE1 3.94Å; F82-F92 HydrophobicContact CD1-CZ 4.03Å; F82-F92 HydrophobicContact CG-CZ 4.46Å; F82-Q99 PolarHBondContact O-NE2 2.99Å; F82-Q99 PolarHBondContact O-OE1 2.85Å
83	S	97.3	Very high	97.5	Very high	107 Å²	107	40.9 Å²	40.9	75%	0.748	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	33.8	-178.9	-53.1	0	0	0	0	114	W79 A80	W79-S83 PolarHBondContact O-N 3.27Å; A80-S83 PolarHBondContact O-N 2.87Å; A80-S83 VanDerWaalsContact O-N 3.1Å
84	I	98.1	Very high	97.4	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.051	25%	0.253	C	S	.	.			trans	-106.1	124.1	179.7	-65.7	169.5	0	0	0	109.6	F46 W79 F82 S86 S90	F46-I84 HydrophobicContact CB-CD1 4.09Å; F46-I84 HydrophobicContact CB-CG2 4.02Å; F46-I84 HydrophobicContact CD1-CD1 3.95Å; F46-I84 HydrophobicContact CD2-CD1 3.1Å; F46-I84 HydrophobicContact CE1-CD1 4.1Å; F46-I84 HydrophobicContact CE2-CD1 3.25Å; F46-I84 HydrophobicContact CG-CD1 3.45Å; F46-I84 VanDerWaalsContact CG-CD1 3.45Å; F46-I84 HydrophobicContact CG-CG2 4.44Å; F46-I84 HydrophobicContact CZ-CD1 3.76Å; W79-I84 CarbonylContact C-O 3.55Å; W79-I84 HydrophobicContact CB-CB 4.07Å; W79-I84 HydrophobicContact CB-CG2 4.14Å; W79-I84 WeakPolarHBondContact CB-O 3.48Å; W79-I84 HydrophobicContact CD2-CG2 4.43Å; W79-I84 HydrophobicContact CE3-CG2 4.2Å; W79-I84 HydrophobicContact CG-CG2 4.46Å; W79-I84 WeakPolarHBondContact O-CB 3.49Å; W79-I84 PolarHBondContact O-N 2.99Å; F82-I84 VanDerWaalsContact C-N 3.25Å; F82-I84 HydrophobicContact CB-CD1 4.1Å; F82-I84 HydrophobicContact CB-CG1 4.4Å; F82-I84 PolarHBondContact O-N 3.33Å; I84-S86 WeakPolarHBondContact CG2-O 3.49Å; I84-S90 WeakPolarHBondContact CD1-OG 3.46Å
85	S	95.9	Very high	97.4	Very high	119 Å²	119	41.1 Å²	41.1	83%	0.832	24%	0.241	S	C	*	.			trans	-109	-16.2	-176.6	57.3	0	0	0	0	114.8
86	S	96.9	Very high	97.4	Very high	26 Å²	26	40.1 Å²	40.1	18%	0.182	23%	0.234	C	C	.	.	S	Bend	trans	-151.2	178.2	178	67.3	0	0	0	0	110.7	I84 T88 D105	I84-S86 WeakPolarHBondContact CG2-O 3.49Å; S86-T88 PolarHBondContact O-N 2.88Å; S86-T88 VanDerWaalsContact O-N 3.07Å; S86-T88 PolarHBondContact O-OG1 3.48Å; S86-D105 WeakPolarHBondContact CB-OD2 3.29Å; S86-D105 PolarHBondContact OG-OD2 2.7Å
87	G	97.8	Very high	97.4	Very high	20 Å²	20	41.1 Å²	41.1	21%	0.206	24%	0.244	C	C	.	.	S	Bend	trans	-50	117.1	-177.8	0	0	0	0	0	111.5	F46 L104	F46-G87 WeakPolarHBondContact O-CA 3.48Å; G87-L104 VanDerWaalsContact O-CB 3.26Å; G87-L104 WeakPolarHBondContact O-CB 3.12Å; G87-L104 WeakPolarHBondContact O-CG 3.33Å; G87-L104 PolarHBondContact O-N 3.46Å
88	T	98.6	Very high	97.5	Very high	4 Å²	4	36 Å²	36	3%	0.025	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136	-171.6	-59.8	0	0	0	0	110.2	F46 S86 S90 N101 L102 V103	F46-T88 PolarHBondContact N-O 2.87Å; F46-T88 PolarHBondContact O-N 3.37Å; F46-T88 VanDerWaalsContact O-N 3.08Å; S86-T88 PolarHBondContact O-N 2.88Å; S86-T88 VanDerWaalsContact O-N 3.07Å; S86-T88 PolarHBondContact O-OG1 3.48Å; T88-S90 WeakPolarHBondContact CG2-OG 3.37Å; T88-N101 HydrophobicContact CG2-CB 3.85Å; T88-L102 WeakPolarHBondContact CA-O 3.43Å; T88-V103 HydrophobicContact CG2-CG2 4.49Å
89	I	98.7	Very high	97.5	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.2	165.9	-60	171.4	0	0	0	107.4	V43 L58 L102 L104 L110 L115	V43-I89 HydrophobicContact CG1-CG2 3.57Å; L58-I89 HydrophobicContact CB-CD1 4.19Å; L58-I89 HydrophobicContact CD1-CG2 4.04Å; I89-L102 HydrophobicContact CB-CB 4.43Å; I89-L102 PolarHBondContact N-O 3.37Å; I89-L102 WeakPolarHBondContact O-CB 3.36Å; I89-L102 PolarHBondContact O-N 3.03Å; I89-L104 HydrophobicContact CD1-CD2 4.09Å; I89-L104 HydrophobicContact CG1-CD1 4.44Å; I89-L104 HydrophobicContact CG1-CD2 4.24Å; I89-L110 HydrophobicContact CD1-CD2 4.02Å; I89-L115 HydrophobicContact CD1-CD1 4.13Å; I89-L115 HydrophobicContact CD1-CD2 3.83Å; I89-L115 HydrophobicContact CG2-CD1 4.05Å
90	S	98.8	Very high	97.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.5	-175.4	-51.4	0	0	0	0	110.7	V43 I44 I84 T88 E100 N101	V43-S90 CarbonylContact C-O 3.57Å; V43-S90 WeakPolarHBondContact CA-O 3.39Å; I44-S90 PolarHBondContact N-O 3.37Å; I44-S90 PolarHBondContact O-N 3.34Å; I84-S90 WeakPolarHBondContact CD1-OG 3.46Å; T88-S90 WeakPolarHBondContact CG2-OG 3.37Å; S90-E100 CarbonylContact C-O 3.58Å; S90-E100 WeakPolarHBondContact CA-O 3.34Å; S90-N101 WeakPolarHBondContact CB-OD1 3.4Å; S90-N101 PolarHBondContact OG-OD1 3.49Å
91	L	98.8	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.1	168	179.7	151	0	0	0	108.7	V41 V42 V43 R93 Q99 E100 F118 I119 N122	V41-L91 HydrophobicContact CG1-CD1 3.86Å; V41-L91 HydrophobicContact CG1-CD2 3.88Å; V41-L91 HydrophobicContact CG1-CG 3.8Å; V42-L91 WeakPolarHBondContact O-CA 3.01Å; V43-L91 HydrophobicContact CG2-CB 4.25Å; V43-L91 HydrophobicContact CG2-CD1 4.13Å; V43-L91 HydrophobicContact CG2-CG 4.24Å; L91-R93 HydrophobicContact CD2-CB 4.09Å; L91-R93 HydrophobicContact CD2-CG 4.17Å; L91-Q99 CarbonylContact O-C 3.54Å; L91-Q99 WeakPolarHBondContact O-CA 3.15Å; L91-E100 HydrophobicContact CB-CB 4.45Å; L91-E100 PolarHBondContact N-O 2.8Å; L91-E100 PolarHBondContact O-N 2.82Å; L91-F118 HydrophobicContact CB-CE1 4.04Å; L91-F118 HydrophobicContact CB-CZ 4.36Å; L91-I119 HydrophobicContact CD1-CG2 4.16Å; L91-N122 HydrophobicContact CD1-CB 3.93Å; L91-N122 HydrophobicContact CD2-CB 4.12Å
92	F	98.7	Very high	97.7	Very high	15 Å²	15	37 Å²	37	7%	0.066	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.2	174.4	-61.8	-92.5	0	0	0	109.2	I36 V41 V42 I44 F46 F82 Q99	I36-F92 HydrophobicContact CD1-CD1 3.67Å; I36-F92 HydrophobicContact CD1-CD2 4.04Å; I36-F92 HydrophobicContact CD1-CE1 3.69Å; I36-F92 HydrophobicContact CD1-CE2 4.07Å; I36-F92 HydrophobicContact CD1-CG 3.84Å; I36-F92 HydrophobicContact CD1-CZ 3.9Å; I36-F92 HydrophobicContact CG1-CB 4.1Å; I36-F92 HydrophobicContact CG1-CD1 4.1Å; I36-F92 HydrophobicContact CG1-CD2 3.88Å; I36-F92 HydrophobicContact CG1-CE2 4.31Å; I36-F92 HydrophobicContact CG1-CG 3.76Å; I36-F92 HydrophobicContact CG2-CB 4Å; I36-F92 HydrophobicContact CG2-CG 4.36Å; V41-F92 VanDerWaalsContact CA-O 3.28Å; V41-F92 WeakPolarHBondContact CA-O 3.08Å; V42-F92 HydrophobicContact CG2-CB 4.07Å; V42-F92 HydrophobicContact CG2-CD2 4.37Å; V42-F92 PolarHBondContact N-O 3.08Å; V42-F92 PolarHBondContact O-N 2.78Å; I44-F92 HydrophobicContact CB-CE2 4.23Å; I44-F92 HydrophobicContact CD1-CD2 3.89Å; I44-F92 HydrophobicContact CD1-CE2 3.64Å; I44-F92 HydrophobicContact CG1-CD2 4.46Å; I44-F92 HydrophobicContact CG1-CE2 4.3Å; F46-F92 AromaticContact CE2-CE2 3.86Å; F46-F92 HydrophobicContact CE2-CE2 3.86Å; F46-F92 AromaticContact CE2-CZ 3.93Å; F46-F92 HydrophobicContact CE2-CZ 3.93Å; F46-F92 HydrophobicContact CZ-CE2 4.21Å; F46-F92 HydrophobicContact CZ-CZ 4.06Å; F82-F92 AromaticContact CD1-CE1 3.94Å; F82-F92 HydrophobicContact CD1-CE1 3.94Å; F82-F92 HydrophobicContact CD1-CZ 4.03Å; F82-F92 HydrophobicContact CG-CZ 4.46Å; F92-Q99 HydrophobicContact CD1-CB 3.98Å; F92-Q99 HydrophobicContact CD1-CG 3.97Å; F92-Q99 HydrophobicContact CE1-CB 3.94Å; F92-Q99 VanDerWaalsContact CE1-CD 3.44Å; F92-Q99 HydrophobicContact CE1-CG 3.54Å; F92-Q99 HydrophobicContact CZ-CG 3.98Å
93	R	97.6	Very high	97.7	Very high	9 Å²	9	37.8 Å²	37.8	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.2	177.4	62.7	-178.7	-166.6	-138.7	-8.3	113	E40 V41 L91 D96 N97 H98 N122	E40-R93 CarbonylContact O-C 3.58Å; E40-R93 VanDerWaalsContact O-CA 3.26Å; E40-R93 WeakPolarHBondContact O-CA 3.31Å; V41-R93 HydrophobicContact CG1-CB 4.49Å; V41-R93 HydrophobicContact CG2-CB 3.93Å; L91-R93 HydrophobicContact CD2-CB 4.09Å; L91-R93 HydrophobicContact CD2-CG 4.17Å; R93-D96 WeakPolarHBondContact CD-OD1 3.26Å; R93-D96 VanDerWaalsContact CG-OD1 3.26Å; R93-D96 WeakPolarHBondContact CG-OD1 3.28Å; R93-D96 IonicContact CZ-OD1 3.36Å; R93-D96 IonicContact CZ-OD2 3.6Å; R93-D96 IonicContact NE-OD1 2.79Å; R93-D96 PolarHBondContact NE-OD1 3.47Å; R93-D96 IonicContact NE-OD2 3.67Å; R93-D96 PolarHBondContact NE-OD2 3.41Å; R93-D96 VanDerWaalsContact NE-OD2 3.14Å; R93-D96 IonicContact NH2-OD1 2.64Å; R93-D96 IonicContact NH2-OD2 3.44Å; R93-D96 PolarHBondContact NH2-OD2 3.29Å; R93-N97 CarbonylContact O-C 3.49Å; R93-N97 VanDerWaalsContact O-CA 3.31Å; R93-N97 WeakPolarHBondContact O-CA 3.28Å; R93-N97 PolarHBondContact O-N 3.26Å; R93-H98 HydrophobicContact CG-CB 4.05Å; R93-H98 PolarHBondContact N-O 2.87Å; R93-H98 PolarHBondContact NH2-CD2 2.8Å; R93-H98 PolarHBondContact O-N 3.12Å; R93-H98 VanDerWaalsContact O-N 3.08Å; R93-N122 VanDerWaalsContact CD-O 3.3Å; R93-N122 WeakPolarHBondContact CD-O 3.4Å; R93-N122 PolarHBondContact NH1-O 3.19Å
94	K	97.6	Very high	97.6	Very high	48 Å²	48	33 Å²	33	21%	0.209	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-26.1	-172.1	-67.3	-172.6	176.3	175.4	0	114.5	D37 A39 E40 D96 N97 Y126 T173	D37-K94 VanDerWaalsContact C-NZ 3.35Å; D37-K94 PolarHBondContact O-NZ 3.18Å; A39-K94 WeakPolarHBondContact O-CD 3.32Å; A39-K94 WeakPolarHBondContact O-CE 3.46Å; A39-K94 PolarHBondContact O-NZ 3.12Å; E40-K94 PolarHBondContact O-N 3.46Å; K94-D96 PolarHBondContact O-N 3.3Å; K94-N97 PolarHBondContact O-N 3.08Å; K94-N97 PolarHBondContact O-OD1 3.36Å; K94-Y126 HydrophobicContact CB-CE2 4.34Å; K94-T173 WeakPolarHBondContact O-CG2 3.27Å
95	V	97.2	Very high	97.4	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.5	-172	67	0	0	0	0	112.9	L124 Y126 T173 G174 L177	V95-L124 HydrophobicContact CG1-CB 3.71Å; V95-L124 WeakPolarHBondContact CG1-O 3.26Å; V95-Y126 HydrophobicContact CB-CD1 4.27Å; V95-Y126 HydrophobicContact CG2-CD1 4.15Å; V95-T173 WeakPolarHBondContact O-CA 3.3Å; V95-G174 PolarHBondContact O-N 3.41Å; V95-L177 HydrophobicContact CG1-CD2 4.13Å; V95-L177 HydrophobicContact CG2-CD2 3.94Å
96	D	96.5	Very high	97.3	Very high	18 Å²	18	40.5 Å²	40.5	10%	0.096	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	12	177.5	56.3	-2.9	0	0	0	113	R93 K94 H98 S141 V143 L177	R93-D96 WeakPolarHBondContact CD-OD1 3.26Å; R93-D96 VanDerWaalsContact CG-OD1 3.26Å; R93-D96 WeakPolarHBondContact CG-OD1 3.28Å; R93-D96 IonicContact CZ-OD1 3.36Å; R93-D96 IonicContact CZ-OD2 3.6Å; R93-D96 IonicContact NE-OD1 2.79Å; R93-D96 PolarHBondContact NE-OD1 3.47Å; R93-D96 IonicContact NE-OD2 3.67Å; R93-D96 PolarHBondContact NE-OD2 3.41Å; R93-D96 VanDerWaalsContact NE-OD2 3.14Å; R93-D96 IonicContact NH2-OD1 2.64Å; R93-D96 IonicContact NH2-OD2 3.44Å; R93-D96 PolarHBondContact NH2-OD2 3.29Å; K94-D96 PolarHBondContact O-N 3.3Å; D96-H98 PolarHBondContact O-N 3.4Å; D96-H98 WeakPolarHBondContact OD1-CB 3.37Å; D96-S141 PolarHBondContact OD2-OG 3.22Å; D96-V143 HydrophobicContact CB-CB 4.41Å; D96-V143 HydrophobicContact CB-CG2 3.52Å; D96-L177 HydrophobicContact CB-CD2 4.34Å
97	N	96.5	Very high	97	Very high	127 Å²	127	40.9 Å²	40.9	68%	0.679	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	38.6	-174.5	-63.1	-41.5	0	0	0	113	R93 K94 T173	R93-N97 CarbonylContact O-C 3.49Å; R93-N97 VanDerWaalsContact O-CA 3.31Å; R93-N97 WeakPolarHBondContact O-CA 3.28Å; R93-N97 PolarHBondContact O-N 3.26Å; K94-N97 PolarHBondContact O-N 3.08Å; K94-N97 PolarHBondContact O-OD1 3.36Å; N97-T173 WeakPolarHBondContact ND2-CG2 3.46Å
98	H	97.5	Very high	96.4	Very high	40 Å²	40	49.7 Å²	49.7	19%	0.185	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.3	-172.1	-171	62.1	0	0	0	112.2	R93 D96 E100	R93-H98 HydrophobicContact CG-CB 4.05Å; R93-H98 PolarHBondContact N-O 2.87Å; R93-H98 PolarHBondContact NH2-CD2 2.8Å; R93-H98 PolarHBondContact O-N 3.12Å; R93-H98 VanDerWaalsContact O-N 3.08Å; D96-H98 PolarHBondContact O-N 3.4Å; D96-H98 WeakPolarHBondContact OD1-CB 3.37Å; H98-E100 IonicContact CD2-OE2 3.94Å; H98-E100 IonicContact CE1-OE2 3.62Å; H98-E100 IonicContact NE2-OE2 2.78Å; H98-E100 PolarHBondContact NE2-OE2 2.96Å
99	Q	98	Very high	96	Very high	51 Å²	51	54.8 Å²	54.8	24%	0.238	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.9	169.6	176.1	-176.1	-21.1	0	0	107.9	F82 L91 F92 N101	F82-Q99 PolarHBondContact O-NE2 2.99Å; F82-Q99 PolarHBondContact O-OE1 2.85Å; L91-Q99 CarbonylContact O-C 3.54Å; L91-Q99 WeakPolarHBondContact O-CA 3.15Å; F92-Q99 HydrophobicContact CD1-CB 3.98Å; F92-Q99 HydrophobicContact CD1-CG 3.97Å; F92-Q99 HydrophobicContact CE1-CB 3.94Å; F92-Q99 VanDerWaalsContact CE1-CD 3.44Å; F92-Q99 HydrophobicContact CE1-CG 3.54Å; F92-Q99 HydrophobicContact CZ-CG 3.98Å; Q99-N101 VanDerWaalsContact CG-OD1 3.28Å; Q99-N101 WeakPolarHBondContact CG-OD1 3.37Å; Q99-N101 PolarHBondContact NE2-ND2 2.85Å; Q99-N101 PolarHBondContact NE2-OD1 2.9Å
100	E	97.9	Very high	95.7	Very high	64 Å²	64	55.7 Å²	55.7	30%	0.299	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.3	174.8	-171.7	67.4	-157.1	0	0	109.4	S90 L91 H98 F118	S90-E100 CarbonylContact C-O 3.58Å; S90-E100 WeakPolarHBondContact CA-O 3.34Å; L91-E100 HydrophobicContact CB-CB 4.45Å; L91-E100 PolarHBondContact N-O 2.8Å; L91-E100 PolarHBondContact O-N 2.82Å; H98-E100 IonicContact CD2-OE2 3.94Å; H98-E100 IonicContact CE1-OE2 3.62Å; H98-E100 IonicContact NE2-OE2 2.78Å; H98-E100 PolarHBondContact NE2-OE2 2.96Å; E100-F118 HydrophobicContact CB-CZ 4.22Å; E100-F118 HydrophobicContact CG-CE2 3.61Å; E100-F118 HydrophobicContact CG-CZ 3.77Å
101	N	97.8	Very high	95.6	Very high	60 Å²	60	62.9 Å²	62.9	32%	0.321	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.3	-174.7	-69.8	-21	0	0	0	111.6	T88 S90 Q99 V103	T88-N101 HydrophobicContact CG2-CB 3.85Å; S90-N101 WeakPolarHBondContact CB-OD1 3.4Å; S90-N101 PolarHBondContact OG-OD1 3.49Å; Q99-N101 VanDerWaalsContact CG-OD1 3.28Å; Q99-N101 WeakPolarHBondContact CG-OD1 3.37Å; Q99-N101 PolarHBondContact NE2-ND2 2.85Å; Q99-N101 PolarHBondContact NE2-OD1 2.9Å; N101-V103 HydrophobicContact CB-CG2 4.47Å
102	L	97.8	Very high	95.3	Very high	35 Å²	35	63.5 Å²	63.5	18%	0.183	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	93.8	162.4	-176.7	67.6	0	0	0	108.5	T88 I89 L104 V107 L110 L115 F118	T88-L102 WeakPolarHBondContact CA-O 3.43Å; I89-L102 HydrophobicContact CB-CB 4.43Å; I89-L102 PolarHBondContact N-O 3.37Å; I89-L102 WeakPolarHBondContact O-CB 3.36Å; I89-L102 PolarHBondContact O-N 3.03Å; L102-L104 HydrophobicContact CD2-CD2 4.49Å; L102-L104 HydrophobicContact CG-CD2 4.48Å; L102-L104 PolarHBondContact O-N 3.4Å; L102-V107 HydrophobicContact CD1-CG2 3.72Å; L102-V107 HydrophobicContact CG-CG2 4.17Å; L102-L110 HydrophobicContact CD2-CD1 3.91Å; L102-L115 HydrophobicContact CD2-CD1 3.91Å; L102-F118 HydrophobicContact CB-CD2 4.5Å; L102-F118 HydrophobicContact CB-CE1 4.44Å; L102-F118 HydrophobicContact CB-CE2 4.1Å; L102-F118 HydrophobicContact CB-CZ 4.07Å
103	V	97.6	Very high	95	Very high	37 Å²	37	68 Å²	68	22%	0.224	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	116.6	178.7	-176.5	0	0	0	0	109.1	T88 N101 D105 E106	T88-V103 HydrophobicContact CG2-CG2 4.49Å; N101-V103 HydrophobicContact CB-CG2 4.47Å; V103-D105 VanDerWaalsContact C-N 3.34Å; V103-D105 PolarHBondContact O-N 2.83Å; V103-E106 HydrophobicContact CB-CG 4.21Å; V103-E106 HydrophobicContact CG1-CG 4.14Å; V103-E106 PolarHBondContact O-N 3.22Å
104	L	96.1	Very high	94.9	Very high	7 Å²	7	69.6 Å²	69.6	4%	0.037	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-73	-27.2	-167.6	-62.6	179.9	0	0	0	113.4	L47 F53 G87 I89 L102 E106 V107 L110	L47-L104 HydrophobicContact CD2-CD1 3.4Å; L47-L104 VanDerWaalsContact CD2-CD1 3.4Å; F53-L104 HydrophobicContact CD1-CB 4.05Å; F53-L104 HydrophobicContact CD1-CD1 4.47Å; F53-L104 HydrophobicContact CE1-CB 4.29Å; F53-L104 WeakPolarHBondContact O-CD1 3.48Å; G87-L104 VanDerWaalsContact O-CB 3.26Å; G87-L104 WeakPolarHBondContact O-CB 3.12Å; G87-L104 WeakPolarHBondContact O-CG 3.33Å; G87-L104 PolarHBondContact O-N 3.46Å; I89-L104 HydrophobicContact CD1-CD2 4.09Å; I89-L104 HydrophobicContact CG1-CD1 4.44Å; I89-L104 HydrophobicContact CG1-CD2 4.24Å; L102-L104 HydrophobicContact CD2-CD2 4.49Å; L102-L104 HydrophobicContact CG-CD2 4.48Å; L102-L104 PolarHBondContact O-N 3.4Å; L104-E106 PolarHBondContact O-N 3.06Å; L104-V107 PolarHBondContact O-N 3.1Å; L104-L110 HydrophobicContact CD2-CD2 3.81Å
105	D	93.3	Very high	94.9	Very high	127 Å²	127	67.3 Å²	67.3	68%	0.679	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-63.5	-22.9	175.3	-64.1	-32.6	0	0	0	112.6	S86 V103	S86-D105 WeakPolarHBondContact CB-OD2 3.29Å; S86-D105 PolarHBondContact OG-OD2 2.7Å; V103-D105 VanDerWaalsContact C-N 3.34Å; V103-D105 PolarHBondContact O-N 2.83Å
106	E	93	Very high	94.9	Very high	159 Å²	159	68.7 Å²	68.7	74%	0.743	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-88.2	-9.4	178.3	-57.6	-175.1	-180	0	0	112.4	V103 L104	V103-E106 HydrophobicContact CB-CG 4.21Å; V103-E106 HydrophobicContact CG1-CG 4.14Å; V103-E106 PolarHBondContact O-N 3.22Å; L104-E106 PolarHBondContact O-N 3.06Å
107	V	91.6	Very high	94.8	Very high	34 Å²	34	72.3 Å²	72.3	21%	0.206	38%	0.377	C	S	.	.			trans	-100.9	110.3	-174.8	-179.5	0	0	0	0	110.2	L102 L104 T109 L110	L102-V107 HydrophobicContact CD1-CG2 3.72Å; L102-V107 HydrophobicContact CG-CG2 4.17Å; L104-V107 PolarHBondContact O-N 3.1Å; V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 WeakPolarHBondContact CG1-O 3.29Å; V107-T109 PolarHBondContact O-N 2.7Å; V107-L110 HydrophobicContact CG1-CB 4.05Å; V107-L110 HydrophobicContact CG1-CD1 4.44Å
108	K	84	Confident	94.8	Very high	206 Å²	206	67.5 Å²	67.5	90%	0.896	35%	0.35	S	S	*	.	S	Bend	trans	-66.1	-34.9	177.7	-67	-175.3	-179.8	179.2	0	113.8
109	T	90.6	Very high	94.8	Very high	111 Å²	111	65.8 Å²	65.8	68%	0.681	34%	0.343	S	S	*	.			trans	-149.2	123.1	-178.7	56.4	0	0	0	0	108.6	V107	V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 WeakPolarHBondContact CG1-O 3.29Å; V107-T109 PolarHBondContact O-N 2.7Å
110	L	94	Very high	94.7	Very high	18 Å²	18	65 Å²	65	9%	0.094	34%	0.343	C	S	.	.			trans	-107.8	137	172.2	-170.7	58.9	0	0	0	108.2	F53 E57 I89 L102 L104 V107 L115	F53-L110 HydrophobicContact CE1-CB 4.28Å; F53-L110 HydrophobicContact CE2-CB 4.05Å; F53-L110 HydrophobicContact CZ-CB 3.57Å; E57-L110 HydrophobicContact CB-CD2 4.14Å; E57-L110 HydrophobicContact CB-CG 4.13Å; E57-L110 HydrophobicContact CG-CB 4.47Å; E57-L110 HydrophobicContact CG-CD2 4.44Å; E57-L110 HydrophobicContact CG-CG 4.09Å; I89-L110 HydrophobicContact CD1-CD2 4.02Å; L102-L110 HydrophobicContact CD2-CD1 3.91Å; L104-L110 HydrophobicContact CD2-CD2 3.81Å; V107-L110 HydrophobicContact CG1-CB 4.05Å; V107-L110 HydrophobicContact CG1-CD1 4.44Å; L110-L115 HydrophobicContact CD1-CB 4.44Å
111	K	94.8	Very high	94.6	Very high	152 Å²	152	62.7 Å²	62.7	66%	0.661	33%	0.333	S	S	*	.			trans	-130.5	148.9	172.5	-66	-174.3	178.7	-176.3	0	107.5	D113 G114 L115	K111-D113 PolarHBondContact O-N 2.97Å; K111-G114 WeakPolarHBondContact O-CA 3.46Å; K111-G114 PolarHBondContact O-N 2.88Å; K111-L115 PolarHBondContact O-N 3.37Å; K111-L115 VanDerWaalsContact O-N 3.14Å
112	S	92.6	Very high	94.5	Very high	13 Å²	13	60.5 Å²	60.5	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-55.6	-38.2	-179.6	56.6	0	0	0	0	112.8	E60 K64 G114 L115 V116	E60-S112 WeakPolarHBondContact OE2-CB 3.16Å; E60-S112 PolarHBondContact OE2-OG 2.74Å; K64-S112 PolarHBondContact NZ-OG 2.93Å; S112-G114 VanDerWaalsContact C-N 3.3Å; S112-G114 PolarHBondContact O-N 2.87Å; S112-L115 PolarHBondContact O-N 2.64Å; S112-L115 VanDerWaalsContact O-N 3.13Å; S112-V116 WeakPolarHBondContact O-CG2 3.09Å; S112-V116 PolarHBondContact O-N 2.95Å
113	D	94.3	Very high	94.4	Very high	110 Å²	110	60.9 Å²	60.9	59%	0.588	32%	0.322	S	S	*	.	H	α-helix	trans	-64.6	-32.5	175.8	-64.7	-11.7	0	0	0	113.3	K64 K111 L115 N117	K64-D113 IonicContact NZ-OD1 3.63Å; K64-D113 PolarHBondContact NZ-OD1 3.32Å; K111-D113 PolarHBondContact O-N 2.97Å; D113-L115 VanDerWaalsContact C-N 3.34Å; D113-N117 WeakPolarHBondContact O-CB 3.39Å; D113-N117 PolarHBondContact O-N 3.24Å
114	G	95.3	Very high	94.4	Very high	41 Å²	41	59.1 Å²	59.1	42%	0.423	31%	0.312	S	S	.	.	H	α-helix	trans	-66.8	-39.1	173.5	0	0	0	0	0	111.5	K111 S112 N117 F118	K111-G114 WeakPolarHBondContact O-CA 3.46Å; K111-G114 PolarHBondContact O-N 2.88Å; S112-G114 VanDerWaalsContact C-N 3.3Å; S112-G114 PolarHBondContact O-N 2.87Å; G114-N117 PolarHBondContact O-N 2.9Å; G114-F118 PolarHBondContact O-N 2.89Å
115	L	96.8	Very high	94.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-73.5	-37.8	177.2	-171.4	60.9	0	0	0	112.4	E57 L58 A61 I89 L102 L110 K111 S112 D113 N117 F118 I119	E57-L115 HydrophobicContact CB-CD2 4.48Å; L58-L115 HydrophobicContact CB-CD2 3.91Å; L58-L115 HydrophobicContact CD1-CD2 3.95Å; A61-L115 HydrophobicContact CB-CB 4Å; A61-L115 HydrophobicContact CB-CD2 3.83Å; A61-L115 HydrophobicContact CB-CG 3.9Å; I89-L115 HydrophobicContact CD1-CD1 4.13Å; I89-L115 HydrophobicContact CD1-CD2 3.83Å; I89-L115 HydrophobicContact CG2-CD1 4.05Å; L102-L115 HydrophobicContact CD2-CD1 3.91Å; L110-L115 HydrophobicContact CD1-CB 4.44Å; K111-L115 PolarHBondContact O-N 3.37Å; K111-L115 VanDerWaalsContact O-N 3.14Å; S112-L115 PolarHBondContact O-N 2.64Å; S112-L115 VanDerWaalsContact O-N 3.13Å; D113-L115 VanDerWaalsContact C-N 3.34Å; L115-N117 VanDerWaalsContact C-N 3.28Å; L115-N117 PolarHBondContact O-N 3.36Å; L115-F118 HydrophobicContact CD1-CB 4.36Å; L115-F118 HydrophobicContact CD1-CD1 3.82Å; L115-F118 HydrophobicContact CD1-CG 4.4Å; L115-F118 WeakPolarHBondContact O-CB 3.28Å; L115-F118 PolarHBondContact O-N 2.98Å; L115-I119 HydrophobicContact CG-CD1 4.24Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.47Å; L115-I119 PolarHBondContact O-N 3.47Å
116	V	96.9	Very high	94.7	Very high	32 Å²	32	57 Å²	57	19%	0.194	29%	0.294	C	S	.	.	H	α-helix	trans	-54.9	-47.7	169	168.7	0	0	0	0	110	A61 K64 V65 S112 F118 I119 S120	A61-V116 HydrophobicContact CB-CG2 3.89Å; K64-V116 HydrophobicContact CB-CG2 3.8Å; K64-V116 HydrophobicContact CD-CG2 3.79Å; K64-V116 HydrophobicContact CG-CG2 4.46Å; V65-V116 HydrophobicContact CG2-CB 4.26Å; V65-V116 HydrophobicContact CG2-CG1 3.98Å; V65-V116 HydrophobicContact CG2-CG2 4.08Å; S112-V116 WeakPolarHBondContact O-CG2 3.09Å; S112-V116 PolarHBondContact O-N 2.95Å; V116-F118 PolarHBondContact O-N 2.88Å; V116-I119 PolarHBondContact O-N 3.11Å; V116-S120 WeakPolarHBondContact O-CB 3.43Å; V116-S120 PolarHBondContact O-N 3Å; V116-S120 PolarHBondContact O-OG 2.73Å; V116-S120 VanDerWaalsContact O-OG 3.11Å
117	N	95.4	Very high	94.9	Very high	94 Å²	94	50.5 Å²	50.5	50%	0.503	26%	0.264	S	S	.	.	H	α-helix	trans	-63.2	-40.8	177.7	-177.1	75.6	0	0	0	112.6	D113 G114 L115 T121	D113-N117 WeakPolarHBondContact O-CB 3.39Å; D113-N117 PolarHBondContact O-N 3.24Å; G114-N117 PolarHBondContact O-N 2.9Å; L115-N117 VanDerWaalsContact C-N 3.28Å; L115-N117 PolarHBondContact O-N 3.36Å; N117-T121 WeakPolarHBondContact O-CB 3.17Å; N117-T121 PolarHBondContact O-N 2.77Å; N117-T121 PolarHBondContact O-OG1 3.14Å
118	F	96.7	Very high	95.2	Very high	26 Å²	26	49.2 Å²	49.2	11%	0.114	26%	0.256	C	S	.	.	H	α-helix	trans	-58.1	-48	174.2	168.7	-96.8	0	0	0	111.6	L91 E100 L102 G114 L115 V116 N122	L91-F118 HydrophobicContact CB-CE1 4.04Å; L91-F118 HydrophobicContact CB-CZ 4.36Å; E100-F118 HydrophobicContact CB-CZ 4.22Å; E100-F118 HydrophobicContact CG-CE2 3.61Å; E100-F118 HydrophobicContact CG-CZ 3.77Å; L102-F118 HydrophobicContact CB-CD2 4.5Å; L102-F118 HydrophobicContact CB-CE1 4.44Å; L102-F118 HydrophobicContact CB-CE2 4.1Å; L102-F118 HydrophobicContact CB-CZ 4.07Å; G114-F118 PolarHBondContact O-N 2.89Å; L115-F118 HydrophobicContact CD1-CB 4.36Å; L115-F118 HydrophobicContact CD1-CD1 3.82Å; L115-F118 HydrophobicContact CD1-CG 4.4Å; L115-F118 WeakPolarHBondContact O-CB 3.28Å; L115-F118 PolarHBondContact O-N 2.98Å; V116-F118 PolarHBondContact O-N 2.88Å; F118-N122 WeakPolarHBondContact O-CB 3.2Å; F118-N122 PolarHBondContact O-N 2.74Å; F118-N122 PolarHBondContact O-ND2 2.79Å
119	I	97.1	Very high	95.7	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-55.4	179.2	-61.9	168.3	0	0	0	109.8	V43 A61 V65 V68 L91 L115 V116 T121 N122 E123	V43-I119 HydrophobicContact CG2-CD1 4.09Å; V43-I119 HydrophobicContact CG2-CG1 3.95Å; V43-I119 HydrophobicContact CG2-CG2 4.27Å; A61-I119 HydrophobicContact CB-CD1 4.24Å; V65-I119 HydrophobicContact CB-CG2 4.36Å; V65-I119 HydrophobicContact CG1-CG2 3.81Å; V65-I119 HydrophobicContact CG2-CB 4.28Å; V65-I119 HydrophobicContact CG2-CD1 4.31Å; V65-I119 HydrophobicContact CG2-CG2 4.24Å; V68-I119 HydrophobicContact CB-CG2 4.32Å; V68-I119 HydrophobicContact CG1-CG2 4.01Å; V68-I119 HydrophobicContact CG2-CG2 4.16Å; L91-I119 HydrophobicContact CD1-CG2 4.16Å; L115-I119 HydrophobicContact CG-CD1 4.24Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.47Å; L115-I119 PolarHBondContact O-N 3.47Å; V116-I119 PolarHBondContact O-N 3.11Å; I119-T121 VanDerWaalsContact C-N 3.25Å; I119-T121 PolarHBondContact O-N 3.33Å; I119-N122 CarbonylContact O-C 3.55Å; I119-N122 PolarHBondContact O-N 3Å; I119-E123 WeakPolarHBondContact O-CB 3.43Å; I119-E123 PolarHBondContact O-N 3.45Å
120	S	95.4	Very high	96	Very high	34 Å²	34	38.8 Å²	38.8	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-30.8	-176.5	-59.8	0	0	0	0	113.7	V116	V116-S120 WeakPolarHBondContact O-CB 3.43Å; V116-S120 PolarHBondContact O-N 3Å; V116-S120 PolarHBondContact O-OG 2.73Å; V116-S120 VanDerWaalsContact O-OG 3.11Å
121	T	95.4	Very high	96	Very high	16 Å²	16	41 Å²	41	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-69.7	-38	175.1	-63.7	0	0	0	0	111.4	N117 I119 V136 G137	N117-T121 WeakPolarHBondContact O-CB 3.17Å; N117-T121 PolarHBondContact O-N 2.77Å; N117-T121 PolarHBondContact O-OG1 3.14Å; I119-T121 VanDerWaalsContact C-N 3.25Å; I119-T121 PolarHBondContact O-N 3.33Å; T121-V136 HydrophobicContact CG2-CB 3.83Å; T121-V136 HydrophobicContact CG2-CG1 3.62Å; T121-G137 WeakPolarHBondContact O-CA 3.3Å; T121-G137 PolarHBondContact O-N 3.09Å
122	N	96.9	Very high	95.8	Very high	15 Å²	15	41.4 Å²	41.4	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-99.5	-1.6	-172.6	-70.3	-63.5	0	0	0	114.2	L91 R93 F118 I119 L124	L91-N122 HydrophobicContact CD1-CB 3.93Å; L91-N122 HydrophobicContact CD2-CB 4.12Å; R93-N122 VanDerWaalsContact CD-O 3.3Å; R93-N122 WeakPolarHBondContact CD-O 3.4Å; R93-N122 PolarHBondContact NH1-O 3.19Å; F118-N122 WeakPolarHBondContact O-CB 3.2Å; F118-N122 PolarHBondContact O-N 2.74Å; F118-N122 PolarHBondContact O-ND2 2.79Å; I119-N122 CarbonylContact O-C 3.55Å; I119-N122 PolarHBondContact O-N 3Å; N122-L124 PolarHBondContact O-N 2.89Å
123	E	95.4	Very high	95.8	Very high	43 Å²	43	43.8 Å²	43.8	20%	0.201	23%	0.231	C	C	.	.			trans	-71.4	66.6	176.9	-167.2	-165.6	156.5	0	0	111.8	V41 V68 I119 R125	V41-E123 HydrophobicContact CB-CG 4.41Å; V41-E123 HydrophobicContact CG1-CG 4.3Å; V41-E123 HydrophobicContact CG2-CG 4.18Å; V68-E123 HydrophobicContact CG2-CG 4Å; I119-E123 WeakPolarHBondContact O-CB 3.43Å; I119-E123 PolarHBondContact O-N 3.45Å; E123-R125 IonicContact OE1-CZ 3.59Å; E123-R125 IonicContact OE1-NE 2.8Å; E123-R125 PolarHBondContact OE1-NE 3.23Å; E123-R125 IonicContact OE1-NH2 3.49Å; E123-R125 PolarHBondContact OE1-NH2 2.95Å
124	L	97.4	Very high	95.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.			trans	-88	122.4	171.7	-50.1	-175.7	0	0	0	109.3	V41 V95 N122 T128 L138 L177	V41-L124 WeakPolarHBondContact CG2-O 3.44Å; V95-L124 HydrophobicContact CG1-CB 3.71Å; V95-L124 WeakPolarHBondContact CG1-O 3.26Å; N122-L124 PolarHBondContact O-N 2.89Å; L124-T128 HydrophobicContact CD2-CG2 4.01Å; L124-L138 HydrophobicContact CD1-CD2 4.38Å; L124-L138 HydrophobicContact CD2-CD2 3.91Å; L124-L138 HydrophobicContact CD2-CG 3.91Å; L124-L177 HydrophobicContact CD1-CD1 4.3Å
125	R	97.1	Very high	95.9	Very high	53 Å²	53	38 Å²	38	20%	0.2	19%	0.193	C	C	.	.			trans	-110.1	168.3	-178.4	-72.1	-175.2	-171	-88.7	3.9	110.4	E40 V41 L67 E123 I127 T128	E40-R125 HydrophobicContact CB-CG 4.49Å; E40-R125 WeakPolarHBondContact OE2-CA 3.46Å; E40-R125 WeakPolarHBondContact OE2-CB 3.24Å; V41-R125 HydrophobicContact CG2-CG 3.93Å; L67-R125 PolarHBondContact O-NH2 3.4Å; E123-R125 IonicContact OE1-CZ 3.59Å; E123-R125 IonicContact OE1-NE 2.8Å; E123-R125 PolarHBondContact OE1-NE 3.23Å; E123-R125 IonicContact OE1-NH2 3.49Å; E123-R125 PolarHBondContact OE1-NH2 2.95Å; R125-I127 PolarHBondContact O-N 2.93Å; R125-T128 PolarHBondContact N-OG1 3.48Å; R125-T128 PolarHBondContact O-OG1 2.87Å
126	Y	97.5	Very high	95.8	Very high	37 Å²	37	41.3 Å²	41.3	15%	0.145	21%	0.213	C	C	.	.	S	Bend	trans	-56.3	-35.1	177.6	-82.9	-49.5	0	0	0	112.7	E40 K94 V95 A169 P170 T173 F178	E40-Y126 VanDerWaalsContact CD-CD2 3.47Å; E40-Y126 HydrophobicContact CG-CD2 3.8Å; E40-Y126 HydrophobicContact CG-CE2 4.18Å; E40-Y126 WeakPolarHBondContact OE1-CD2 3.29Å; E40-Y126 PolarHBondContact OE2-N 3.1Å; K94-Y126 HydrophobicContact CB-CE2 4.34Å; V95-Y126 HydrophobicContact CB-CD1 4.27Å; V95-Y126 HydrophobicContact CG2-CD1 4.15Å; Y126-A169 HydrophobicContact CD1-CB 3.92Å; Y126-A169 HydrophobicContact CG-CB 4.15Å; Y126-A169 WeakPolarHBondContact O-CB 3.31Å; Y126-P170 HydrophobicContact CD1-CG 4.34Å; Y126-P170 HydrophobicContact CD2-CG 4.1Å; Y126-P170 HydrophobicContact CE1-CB 4.22Å; Y126-P170 HydrophobicContact CE1-CG 4.15Å; Y126-P170 HydrophobicContact CE2-CB 4.43Å; Y126-P170 HydrophobicContact CE2-CG 3.89Å; Y126-P170 HydrophobicContact CG-CG 4.35Å; Y126-T173 WeakPolarHBondContact CE1-OG1 3.38Å; Y126-T173 PolarHBondContact OH-OG1 3.26Å; Y126-F178 VanDerWaalsContact O-CB 3.29Å; Y126-F178 WeakPolarHBondContact O-CB 3.46Å
127	I	97.5	Very high	95.7	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.108	20%	0.204	C	C	.	.	S	Bend	trans	-119.9	108.8	160.4	-58.7	-65	0	0	0	107.9	R125 L149 K162 F178 L180	R125-I127 PolarHBondContact O-N 2.93Å; I127-L149 HydrophobicContact CD1-CD2 4.27Å; I127-K162 HydrophobicContact CG2-CG 4.17Å; I127-F178 HydrophobicContact CD1-CB 3.59Å; I127-F178 HydrophobicContact CD1-CD2 3.85Å; I127-F178 HydrophobicContact CD1-CG 4.13Å; I127-L180 HydrophobicContact CG2-CB 3.75Å; I127-L180 HydrophobicContact CG2-CD2 4.09Å
128	T	97.4	Very high	95.8	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.8	176.7	-60	0	0	0	0	109.7	L124 R125 T134 L138 F178 V179 L180	L124-T128 HydrophobicContact CD2-CG2 4.01Å; R125-T128 PolarHBondContact N-OG1 3.48Å; R125-T128 PolarHBondContact O-OG1 2.87Å; T128-T134 HydrophobicContact CG2-CG2 4.08Å; T128-L138 HydrophobicContact CG2-CD1 4.34Å; T128-L138 HydrophobicContact CG2-CD2 4.25Å; T128-L138 HydrophobicContact CG2-CG 4.38Å; T128-F178 PolarHBondContact N-O 3.31Å; T128-V179 CarbonylContact O-C 3.57Å; T128-V179 WeakPolarHBondContact O-CA 3.38Å; T128-L180 PolarHBondContact O-N 3.44Å
129	E	95.8	Very high	95.8	Very high	47 Å²	47	37.7 Å²	37.7	22%	0.22	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	130	172.9	-175.2	164.2	-166.6	0	0	111	N131 T134 R153 Y158 L180	E129-N131 PolarHBondContact O-N 2.97Å; E129-T134 PolarHBondContact O-OG1 2.86Å; E129-R153 IonicContact OE1-CZ 2.7Å; E129-R153 IonicContact OE1-NE 2.77Å; E129-R153 PolarHBondContact OE1-NE 3.24Å; E129-R153 IonicContact OE1-NH2 2.88Å; E129-R153 PolarHBondContact OE1-NH2 3.43Å; E129-R153 IonicContact OE2-CZ 3.13Å; E129-R153 IonicContact OE2-NE 3.35Å; E129-R153 IonicContact OE2-NH2 2.74Å; E129-R153 PolarHBondContact OE2-NH2 3.16Å; E129-Y158 PolarHBondContact OE1-OH 3.05Å; E129-Y158 PolarHBondContact OE2-OH 3.27Å; E129-L180 WeakPolarHBondContact CA-O 3.37Å
130	Y	96.6	Very high	95.7	Very high	51 Å²	51	42.9 Å²	42.9	20%	0.2	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-74	123.8	179.7	-178	-93	0	0	0	111.6	A135 L138 F139 V179 L180 I181 N188	Y130-A135 HydrophobicContact CD2-CB 4.39Å; Y130-A135 HydrophobicContact CE2-CB 3.68Å; Y130-L138 HydrophobicContact CD2-CD1 4.12Å; Y130-F139 HydrophobicContact CE2-CE2 4.49Å; Y130-V179 HydrophobicContact CD2-CG1 4.21Å; Y130-V179 HydrophobicContact CG-CG1 4.43Å; Y130-L180 PolarHBondContact N-O 3.03Å; Y130-I181 HydrophobicContact CG-CD1 4.38Å; Y130-I181 HydrophobicContact CG-CG1 4.22Å; Y130-N188 WeakPolarHBondContact CD1-OD1 3.46Å
131	N	93.3	Very high	95.7	Very high	66 Å²	66	41.4 Å²	41.4	35%	0.353	21%	0.208	S	C	.	.			trans	-149.4	-177.6	166.5	64.4	62.4	0	0	0	109.1	E129 V133 T134 A135	E129-N131 PolarHBondContact O-N 2.97Å; N131-V133 VanDerWaalsContact C-N 3.28Å; N131-V133 PolarHBondContact O-N 3.18Å; N131-V133 WeakPolarHBondContact OD1-CA 3.3Å; N131-V133 WeakPolarHBondContact OD1-CB 3.08Å; N131-V133 PolarHBondContact OD1-N 2.91Å; N131-T134 PolarHBondContact N-OG1 2.9Å; N131-T134 PolarHBondContact ND2-OG1 3Å; N131-T134 PolarHBondContact O-OG1 3.24Å; N131-T134 PolarHBondContact OD1-N 2.88Å; N131-T134 PolarHBondContact OD1-OG1 3.45Å; N131-A135 WeakPolarHBondContact O-CB 3.33Å; N131-A135 PolarHBondContact O-N 3.44Å
132	Q	91.9	Very high	95.7	Very high	160 Å²	160	48 Å²	48	75%	0.748	24%	0.237	S	C	*	.	H	α-helix	trans	-63.7	-31.1	-176.4	-68.9	178.7	-11.4	0	0	113.8
133	V	92.4	Very high	95.7	Very high	62 Å²	62	48 Å²	48	38%	0.376	24%	0.238	S	C	.	.	H	α-helix	trans	-77.4	-54.5	179.6	-179.6	0	0	0	0	109.8	N131 A135 V136	N131-V133 VanDerWaalsContact C-N 3.28Å; N131-V133 PolarHBondContact O-N 3.18Å; N131-V133 WeakPolarHBondContact OD1-CA 3.3Å; N131-V133 WeakPolarHBondContact OD1-CB 3.08Å; N131-V133 PolarHBondContact OD1-N 2.91Å; V133-A135 PolarHBondContact O-N 2.95Å; V133-V136 PolarHBondContact O-N 3.31Å; V133-V136 VanDerWaalsContact O-N 3.09Å
134	T	95.2	Very high	95.8	Very high	17 Å²	17	48.8 Å²	48.8	10%	0.104	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-25.4	-178.6	56.8	0	0	0	0	112.6	T128 E129 N131 V136 G137 L138	T128-T134 HydrophobicContact CG2-CG2 4.08Å; E129-T134 PolarHBondContact O-OG1 2.86Å; N131-T134 PolarHBondContact N-OG1 2.9Å; N131-T134 PolarHBondContact ND2-OG1 3Å; N131-T134 PolarHBondContact O-OG1 3.24Å; N131-T134 PolarHBondContact OD1-N 2.88Å; N131-T134 PolarHBondContact OD1-OG1 3.45Å; T134-V136 PolarHBondContact O-N 2.8Å; T134-G137 PolarHBondContact O-N 3Å; T134-L138 WeakPolarHBondContact O-CB 3.45Å; T134-L138 VanDerWaalsContact O-CG 3.27Å; T134-L138 WeakPolarHBondContact O-CG 3.42Å; T134-L138 PolarHBondContact O-N 3.21Å
135	A	95.1	Very high	95.9	Very high	12 Å²	12	49.5 Å²	49.5	10%	0.099	25%	0.245	C	C	.	.	H	α-helix	trans	-55.7	-40.7	172.6	0	0	0	0	0	111.9	Y130 N131 V133 G137 L138 F139	Y130-A135 HydrophobicContact CD2-CB 4.39Å; Y130-A135 HydrophobicContact CE2-CB 3.68Å; N131-A135 WeakPolarHBondContact O-CB 3.33Å; N131-A135 PolarHBondContact O-N 3.44Å; V133-A135 PolarHBondContact O-N 2.95Å; A135-G137 PolarHBondContact O-N 3.47Å; A135-L138 PolarHBondContact O-N 3.29Å; A135-F139 HydrophobicContact CB-CD2 4.45Å; A135-F139 WeakPolarHBondContact O-CB 3.35Å; A135-F139 WeakPolarHBondContact O-CD2 2.71Å; A135-F139 PolarHBondContact O-N 2.9Å
136	V	95.6	Very high	95.9	Very high	70 Å²	70	47.4 Å²	47.4	42%	0.424	24%	0.237	S	C	.	.	H	α-helix	trans	-60.6	-48.8	179.7	179	0	0	0	0	110.3	T121 V133 T134 F139 N140	T121-V136 HydrophobicContact CG2-CB 3.83Å; T121-V136 HydrophobicContact CG2-CG1 3.62Å; V133-V136 PolarHBondContact O-N 3.31Å; V133-V136 VanDerWaalsContact O-N 3.09Å; T134-V136 PolarHBondContact O-N 2.8Å; V136-F139 PolarHBondContact O-N 3.46Å; V136-N140 VanDerWaalsContact O-CB 3.3Å; V136-N140 WeakPolarHBondContact O-CB 3.45Å; V136-N140 PolarHBondContact O-N 3.18Å; V136-N140 PolarHBondContact O-ND2 2.97Å
137	G	95.8	Very high	96	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-48	176.1	0	0	0	0	0	113.3	T121 T134 A135 F139 N140 S141	T121-G137 WeakPolarHBondContact O-CA 3.3Å; T121-G137 PolarHBondContact O-N 3.09Å; T134-G137 PolarHBondContact O-N 3Å; A135-G137 PolarHBondContact O-N 3.47Å; G137-F139 VanDerWaalsContact C-N 3.3Å; G137-F139 PolarHBondContact O-N 3.11Å; G137-N140 PolarHBondContact O-N 2.86Å; G137-N140 VanDerWaalsContact O-N 3.07Å; G137-S141 PolarHBondContact O-N 3.4Å
138	L	97.1	Very high	96	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-55.9	-45.5	179.1	-73.2	169.5	0	0	0	111.4	L124 T128 Y130 T134 A135 L177 V179	L124-L138 HydrophobicContact CD1-CD2 4.38Å; L124-L138 HydrophobicContact CD2-CD2 3.91Å; L124-L138 HydrophobicContact CD2-CG 3.91Å; T128-L138 HydrophobicContact CG2-CD1 4.34Å; T128-L138 HydrophobicContact CG2-CD2 4.25Å; T128-L138 HydrophobicContact CG2-CG 4.38Å; Y130-L138 HydrophobicContact CD2-CD1 4.12Å; T134-L138 WeakPolarHBondContact O-CB 3.45Å; T134-L138 VanDerWaalsContact O-CG 3.27Å; T134-L138 WeakPolarHBondContact O-CG 3.42Å; T134-L138 PolarHBondContact O-N 3.21Å; A135-L138 PolarHBondContact O-N 3.29Å; L138-L177 HydrophobicContact CD2-CB 4.17Å; L138-L177 HydrophobicContact CD2-CD1 3.9Å; L138-V179 HydrophobicContact CD1-CG1 3.86Å; L138-V179 HydrophobicContact CD1-CG2 3.95Å; L138-V179 HydrophobicContact CD2-CG2 3.7Å; L138-V179 HydrophobicContact CG-CG2 4.46Å
139	F	95.3	Very high	96.1	Very high	75 Å²	75	44.5 Å²	44.5	33%	0.329	23%	0.225	S	C	.	.	H	α-helix	trans	-77.9	-18.9	179.3	-77	-76.3	0	0	0	113.4	Y130 A135 V136 G137 Y208 K210	Y130-F139 HydrophobicContact CE2-CE2 4.49Å; A135-F139 HydrophobicContact CB-CD2 4.45Å; A135-F139 WeakPolarHBondContact O-CB 3.35Å; A135-F139 WeakPolarHBondContact O-CD2 2.71Å; A135-F139 PolarHBondContact O-N 2.9Å; V136-F139 PolarHBondContact O-N 3.46Å; G137-F139 VanDerWaalsContact C-N 3.3Å; G137-F139 PolarHBondContact O-N 3.11Å; F139-Y208 AromaticContact CE1-CE1 3.96Å; F139-Y208 HydrophobicContact CE1-CE1 3.96Å; F139-Y208 HydrophobicContact CZ-CE1 4.46Å; F139-K210 HydrophobicContact CD1-CD 4.05Å; F139-K210 PolarHBondContact O-NZ 2.66Å
140	N	95.3	Very high	96.2	Very high	114 Å²	114	42.3 Å²	42.3	61%	0.61	21%	0.214	S	C	*	.	H	α-helix	trans	-88.5	-20.4	175.5	-73.8	-10.6	0	0	0	113.4	V136 G137	V136-N140 VanDerWaalsContact O-CB 3.3Å; V136-N140 WeakPolarHBondContact O-CB 3.45Å; V136-N140 PolarHBondContact O-N 3.18Å; V136-N140 PolarHBondContact O-ND2 2.97Å; G137-N140 PolarHBondContact O-N 2.86Å; G137-N140 VanDerWaalsContact O-N 3.07Å
141	S	96.5	Very high	96.2	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.021	21%	0.205	C	C	.	.	S	Bend	trans	-55	147.3	177	178.2	0	0	0	0	112.2	D96 G137 V143 K144	D96-S141 PolarHBondContact OD2-OG 3.22Å; G137-S141 PolarHBondContact O-N 3.4Å; S141-V143 VanDerWaalsContact C-N 3.26Å; S141-V143 PolarHBondContact OG-N 2.83Å; S141-V143 VanDerWaalsContact OG-N 3.14Å; S141-K144 WeakPolarHBondContact O-CE 3.48Å; S141-K144 PolarHBondContact O-NZ 3.4Å
142	E	95.1	Very high	96.3	Very high	154 Å²	154	39 Å²	39	72%	0.72	20%	0.2	S	C	*	.	S	Bend	trans	-67.9	-26.7	172.1	-62.6	-165.7	160.4	0	0	112.4	K144	E142-K144 WeakPolarHBondContact O-CD 3.36Å; E142-K144 VanDerWaalsContact O-CE 3.31Å; E142-K144 WeakPolarHBondContact O-CE 3.44Å; E142-K144 WeakPolarHBondContact O-CG 3.31Å; E142-K144 PolarHBondContact O-N 3.04Å
143	V	97.8	Very high	96.4	Very high	15 Å²	15	38.5 Å²	38.5	9%	0.091	19%	0.191	C	C	.	.			trans	-75.3	109.1	173	-179.1	0	0	0	0	109	D96 S141 K175 L177	D96-V143 HydrophobicContact CB-CB 4.41Å; D96-V143 HydrophobicContact CB-CG2 3.52Å; S141-V143 VanDerWaalsContact C-N 3.26Å; S141-V143 PolarHBondContact OG-N 2.83Å; S141-V143 VanDerWaalsContact OG-N 3.14Å; V143-K175 VanDerWaalsContact CG1-C 3.49Å; V143-K175 WeakPolarHBondContact CG1-O 3.19Å; V143-L177 HydrophobicContact CB-CD1 4.43Å; V143-L177 HydrophobicContact CB-CD2 4.06Å; V143-L177 HydrophobicContact CB-CG 4Å; V143-L177 HydrophobicContact CG1-CD2 4.2Å; V143-L177 HydrophobicContact CG1-CG 3.91Å
144	K	96.7	Very high	96.4	Very high	59 Å²	59	39.3 Å²	39.3	26%	0.257	21%	0.212	S	C	.	.			trans	-90.7	-9.5	-170.9	-55.4	-53.9	177.1	-168.4	0	114.4	S141 E142 K210	S141-K144 WeakPolarHBondContact O-CE 3.48Å; S141-K144 PolarHBondContact O-NZ 3.4Å; E142-K144 WeakPolarHBondContact O-CD 3.36Å; E142-K144 VanDerWaalsContact O-CE 3.31Å; E142-K144 WeakPolarHBondContact O-CE 3.44Å; E142-K144 WeakPolarHBondContact O-CG 3.31Å; E142-K144 PolarHBondContact O-N 3.04Å; K144-K210 HydrophobicContact CB-CB 4.18Å; K144-K210 HydrophobicContact CD-CD 4.15Å; K144-K210 WeakPolarHBondContact O-CB 3.42Å; K144-K210 PolarHBondContact O-N 3.13Å
145	T	98.3	Very high	96.3	Very high	15 Å²	15	40.1 Å²	40.1	9%	0.092	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.8	-177.6	-44.5	0	0	0	0	110.9	F176 L177 L207 Y208 F235	T145-F176 HydrophobicContact CG2-CD1 3.51Å; T145-F176 HydrophobicContact CG2-CE1 3.53Å; T145-F176 WeakPolarHBondContact O-CA 3.46Å; T145-L177 PolarHBondContact O-N 2.99Å; T145-L207 HydrophobicContact CG2-CD2 4.24Å; T145-Y208 CarbonylContact C-O 3.56Å; T145-Y208 WeakPolarHBondContact CA-O 3.2Å; T145-Y208 WeakPolarHBondContact CG2-O 3.35Å; T145-F235 HydrophobicContact CG2-CD1 4.11Å; T145-F235 HydrophobicContact CG2-CE1 3.5Å; T145-F235 HydrophobicContact CG2-CE2 4.31Å; T145-F235 HydrophobicContact CG2-CZ 3.62Å
146	H	98.6	Very high	96.2	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129	177.7	-56.4	168.5	0	0	0	110.5	V148 L177 V179 L207 Y208	H146-V148 HydrophobicContact CB-CG2 3.92Å; H146-L177 CarbonylContact C-O 3.54Å; H146-L177 VanDerWaalsContact CA-O 3.22Å; H146-L177 WeakPolarHBondContact CA-O 3.23Å; H146-V179 HydrophobicContact CB-CG2 3.99Å; H146-L207 CarbonylContact O-C 3.59Å; H146-L207 WeakPolarHBondContact O-CA 3.13Å; H146-Y208 PolarHBondContact N-O 3.23Å; H146-Y208 AromaticContact ND1-CD1 3.8Å; H146-Y208 PolarHBondContact O-N 3.2Å
147	L	98.7	Very high	95.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	109.8	159.7	-172.6	76.9	0	0	0	108.2	L149 L177 F178 V179 V205 G206 L207 V228 F231	L147-L149 HydrophobicContact CD2-CD1 4.26Å; L147-L149 HydrophobicContact CG-CD1 4.29Å; L147-L149 WeakPolarHBondContact O-CD1 3.33Å; L147-L177 PolarHBondContact N-O 3.48Å; L147-F178 HydrophobicContact CB-CD1 4.25Å; L147-F178 HydrophobicContact CB-CD2 4.46Å; L147-F178 HydrophobicContact CB-CE1 4.43Å; L147-F178 HydrophobicContact CB-CG 4.22Å; L147-F178 HydrophobicContact CD2-CD1 4.45Å; L147-F178 HydrophobicContact CD2-CD2 3.52Å; L147-F178 HydrophobicContact CD2-CE1 4.21Å; L147-F178 HydrophobicContact CD2-CE2 3.24Å; L147-F178 HydrophobicContact CD2-CG 4.11Å; L147-F178 HydrophobicContact CD2-CZ 3.6Å; L147-F178 CarbonylContact O-C 3.57Å; L147-F178 VanDerWaalsContact O-CA 3.31Å; L147-F178 WeakPolarHBondContact O-CA 3.4Å; L147-V179 PolarHBondContact O-N 3.14Å; L147-V205 HydrophobicContact CD1-CG1 3.76Å; L147-V205 HydrophobicContact CG-CG1 4.13Å; L147-G206 CarbonylContact C-O 3.58Å; L147-L207 HydrophobicContact CB-CD2 4.14Å; L147-L207 HydrophobicContact CD1-CD2 3.59Å; L147-L207 HydrophobicContact CD1-CG 3.84Å; L147-L207 HydrophobicContact CG-CD2 4.48Å; L147-V228 HydrophobicContact CD1-CG1 4.37Å; L147-V228 HydrophobicContact CD2-CG1 3.62Å; L147-F231 HydrophobicContact CD1-CD1 4.39Å
148	V	98.6	Very high	95.7	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.03	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.4	-171.8	-165.3	0	0	0	0	110	H146 F150 V179 I181 F195 V205 G206	H146-V148 HydrophobicContact CB-CG2 3.92Å; V148-F150 HydrophobicContact CB-CD2 4.46Å; V148-F150 HydrophobicContact CB-CE2 3.71Å; V148-F150 HydrophobicContact CB-CZ 3.94Å; V148-F150 HydrophobicContact CG1-CD1 4.39Å; V148-F150 HydrophobicContact CG1-CD2 4.07Å; V148-F150 HydrophobicContact CG1-CE1 3.82Å; V148-F150 HydrophobicContact CG1-CE2 3.44Å; V148-F150 VanDerWaalsContact CG1-CE2 3.44Å; V148-F150 HydrophobicContact CG1-CG 4.5Å; V148-F150 HydrophobicContact CG1-CZ 3.3Å; V148-V179 CarbonylContact C-O 3.57Å; V148-V179 WeakPolarHBondContact CA-O 3.13Å; V148-I181 HydrophobicContact CG1-CD1 3.44Å; V148-I181 VanDerWaalsContact CG1-CD1 3.44Å; V148-I181 HydrophobicContact CG1-CG1 3.72Å; V148-F195 HydrophobicContact CB-CZ 4.26Å; V148-F195 HydrophobicContact CG2-CE2 4.36Å; V148-F195 HydrophobicContact CG2-CZ 3.88Å; V148-V205 CarbonylContact O-C 3.4Å; V148-V205 WeakPolarHBondContact O-CA 3.43Å; V148-G206 PolarHBondContact N-O 3.24Å; V148-G206 PolarHBondContact O-N 2.94Å
149	L	98.4	Very high	95.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.5	175.2	-67.5	68.4	0	0	0	107.7	I127 L147 L165 F178 V179 L180 I181 V205	I127-L149 HydrophobicContact CD1-CD2 4.27Å; L147-L149 HydrophobicContact CD2-CD1 4.26Å; L147-L149 HydrophobicContact CG-CD1 4.29Å; L147-L149 WeakPolarHBondContact O-CD1 3.33Å; L149-L165 HydrophobicContact CD1-CD1 4.38Å; L149-L165 HydrophobicContact CD2-CB 3.89Å; L149-L165 HydrophobicContact CD2-CD1 3.62Å; L149-L165 HydrophobicContact CD2-CG 4.3Å; L149-L165 HydrophobicContact CG-CD1 3.79Å; L149-F178 HydrophobicContact CD1-CB 4.26Å; L149-F178 HydrophobicContact CD1-CD2 4.21Å; L149-V179 PolarHBondContact N-O 3.36Å; L149-L180 HydrophobicContact CB-CD1 3.73Å; L149-L180 CarbonylContact O-C 3.55Å; L149-L180 WeakPolarHBondContact O-CA 3.37Å; L149-I181 PolarHBondContact O-N 2.89Å; L149-V205 HydrophobicContact CG-CG2 4.47Å
150	F	98.1	Very high	95.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.6	176.6	-58.3	-93	0	0	0	109.3	V148 I181 L192 F195 L197 L202 P203 R204	V148-F150 HydrophobicContact CB-CD2 4.46Å; V148-F150 HydrophobicContact CB-CE2 3.71Å; V148-F150 HydrophobicContact CB-CZ 3.94Å; V148-F150 HydrophobicContact CG1-CD1 4.39Å; V148-F150 HydrophobicContact CG1-CD2 4.07Å; V148-F150 HydrophobicContact CG1-CE1 3.82Å; V148-F150 HydrophobicContact CG1-CE2 3.44Å; V148-F150 VanDerWaalsContact CG1-CE2 3.44Å; V148-F150 HydrophobicContact CG1-CG 4.5Å; V148-F150 HydrophobicContact CG1-CZ 3.3Å; F150-I181 HydrophobicContact CD1-CB 4Å; F150-I181 HydrophobicContact CD1-CD1 4.4Å; F150-I181 HydrophobicContact CD1-CG2 4.28Å; F150-I181 HydrophobicContact CE1-CB 4.32Å; F150-I181 HydrophobicContact CE1-CD1 3.84Å; F150-I181 HydrophobicContact CE1-CG1 4.46Å; F150-I181 HydrophobicContact CZ-CD1 4.4Å; F150-L192 HydrophobicContact CD1-CD1 4.01Å; F150-L192 HydrophobicContact CD1-CG 4.11Å; F150-L192 HydrophobicContact CE1-CD1 4.31Å; F150-L192 HydrophobicContact CE1-CG 4.45Å; F150-F195 HydrophobicContact CE1-CD2 4.34Å; F150-F195 HydrophobicContact CE2-CD1 4.16Å; F150-F195 HydrophobicContact CE2-CD2 4.28Å; F150-F195 HydrophobicContact CE2-CE1 4.31Å; F150-F195 HydrophobicContact CE2-CE2 4.42Å; F150-F195 HydrophobicContact CE2-CG 4.1Å; F150-F195 HydrophobicContact CE2-CZ 4.4Å; F150-F195 HydrophobicContact CZ-CB 4.2Å; F150-F195 HydrophobicContact CZ-CD1 4.17Å; F150-F195 AromaticContact CZ-CD2 3.48Å; F150-F195 HydrophobicContact CZ-CD2 3.48Å; F150-F195 VanDerWaalsContact CZ-CD2 3.48Å; F150-F195 HydrophobicContact CZ-CE1 4.38Å; F150-F195 AromaticContact CZ-CE2 3.72Å; F150-F195 HydrophobicContact CZ-CE2 3.72Å; F150-F195 AromaticContact CZ-CG 3.69Å; F150-F195 HydrophobicContact CZ-CG 3.69Å; F150-F195 HydrophobicContact CZ-CZ 4.14Å; F150-L197 HydrophobicContact CB-CD1 4.47Å; F150-L197 HydrophobicContact CD1-CD1 4.3Å; F150-L197 HydrophobicContact CD2-CD1 3.84Å; F150-L197 HydrophobicContact CE1-CD1 4.49Å; F150-L197 HydrophobicContact CE2-CD1 4.06Å; F150-L197 HydrophobicContact CG-CD1 3.96Å; F150-L197 HydrophobicContact CZ-CD1 4.38Å; F150-L202 HydrophobicContact CB-CD1 4.16Å; F150-L202 HydrophobicContact CB-CD2 3.42Å; F150-L202 VanDerWaalsContact CB-CD2 3.42Å; F150-L202 HydrophobicContact CB-CG 4.39Å; F150-L202 HydrophobicContact CG-CD2 4.35Å; F150-P203 CarbonylContact O-C 3.58Å; F150-P203 WeakPolarHBondContact O-CA 3.28Å; F150-R204 HydrophobicContact CB-CB 4.41Å; F150-R204 HydrophobicContact CD2-CB 4.37Å; F150-R204 PolarHBondContact N-O 3.09Å; F150-R204 PolarHBondContact O-N 2.8Å
151	A	97.3	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161.9	175.9	0	0	0	0	0	110.6	Y158 L161 L180 I181 N182 G183 P203	A151-Y158 HydrophobicContact CB-CD2 3.75Å; A151-Y158 HydrophobicContact CB-CG 4.26Å; A151-L161 HydrophobicContact CB-CD1 4.24Å; A151-L180 HydrophobicContact CB-CD1 4.5Å; A151-I181 PolarHBondContact N-O 2.75Å; A151-I181 VanDerWaalsContact O-O 3.1Å; A151-N182 VanDerWaalsContact O-CA 3.28Å; A151-N182 WeakPolarHBondContact O-CA 3.3Å; A151-G183 PolarHBondContact O-N 3.19Å; A151-P203 HydrophobicContact CB-CB 4.42Å
152	N	95.4	Very high	95.4	Very high	47 Å²	47	51.1 Å²	51.1	25%	0.251	26%	0.262	S	S	.	.			trans	-95.2	117.9	178.4	-68.4	-44.4	0	0	0	109.8	G154 S155 Y158 G183 G184 S199	N152-G154 PolarHBondContact O-N 3Å; N152-S155 WeakPolarHBondContact O-CB 3.5Å; N152-S155 PolarHBondContact O-N 2.9Å; N152-S155 VanDerWaalsContact O-N 3.07Å; N152-S155 PolarHBondContact O-OG 3.49Å; N152-Y158 WeakPolarHBondContact O-CB 3.44Å; N152-G183 WeakPolarHBondContact OD1-CA 3.34Å; N152-G184 PolarHBondContact OD1-N 3.16Å; N152-G184 VanDerWaalsContact OD1-N 3.08Å; N152-S199 PolarHBondContact ND2-O 2.79Å
153	R	94.1	Very high	95.4	Very high	150 Å²	150	50.7 Å²	50.7	57%	0.566	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	136.3	179.7	-173.3	-170.9	-78.3	-173.3	-11	110.3	E129 Y158 N182	E129-R153 IonicContact OE1-CZ 2.7Å; E129-R153 IonicContact OE1-NE 2.77Å; E129-R153 PolarHBondContact OE1-NE 3.24Å; E129-R153 IonicContact OE1-NH2 2.88Å; E129-R153 PolarHBondContact OE1-NH2 3.43Å; E129-R153 IonicContact OE2-CZ 3.13Å; E129-R153 IonicContact OE2-NE 3.35Å; E129-R153 IonicContact OE2-NH2 2.74Å; E129-R153 PolarHBondContact OE2-NH2 3.16Å; R153-Y158 HydrophobicContact CB-CD2 4.17Å; R153-Y158 HydrophobicContact CB-CE2 3.95Å; R153-Y158 HydrophobicContact CG-CE1 4.23Å; R153-Y158 HydrophobicContact CG-CE2 4.45Å; R153-N182 HydrophobicContact CB-CB 4.41Å; R153-N182 WeakPolarHBondContact CB-ND2 3.29Å; R153-N182 PolarHBondContact N-OD1 3.21Å
154	G	91.6	Very high	95.3	Very high	79 Å²	79	54 Å²	54	81%	0.814	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-8.9	-176.2	0	0	0	0	0	114	N152	N152-G154 PolarHBondContact O-N 3Å
155	S	92.5	Very high	95.3	Very high	34 Å²	34	51.1 Å²	51.1	24%	0.238	26%	0.259	C	S	.	.	S	Bend	trans	-81.9	157.9	167.6	99.3	0	0	0	0	111.1	N152 E157 Y158	N152-S155 WeakPolarHBondContact O-CB 3.5Å; N152-S155 PolarHBondContact O-N 2.9Å; N152-S155 VanDerWaalsContact O-N 3.07Å; N152-S155 PolarHBondContact O-OG 3.49Å; S155-E157 VanDerWaalsContact C-N 3.3Å; S155-E157 WeakPolarHBondContact CB-OE2 3.43Å; S155-E157 PolarHBondContact OG-N 3.45Å; S155-E157 PolarHBondContact OG-OE2 2.84Å; S155-Y158 PolarHBondContact O-N 3.5Å; S155-Y158 PolarHBondContact OG-N 3.23Å
156	K	92.8	Very high	95.3	Very high	141 Å²	141	51.3 Å²	51.3	61%	0.613	26%	0.264	S	S	*	.	H	α-helix	trans	-63.5	-40.9	176.3	178.2	177.9	165.4	-177.1	0	110.9	Y158 T159 E160	K156-Y158 VanDerWaalsContact C-N 3.27Å; K156-Y158 PolarHBondContact O-N 3.39Å; K156-T159 PolarHBondContact O-N 3.24Å; K156-E160 WeakPolarHBondContact CE-OE1 3.36Å; K156-E160 HydrophobicContact CG-CG 4.22Å; K156-E160 IonicContact NZ-OE1 3.31Å; K156-E160 PolarHBondContact NZ-OE1 3.35Å; K156-E160 WeakPolarHBondContact O-CG 3.49Å; K156-E160 PolarHBondContact O-N 3.27Å
157	E	89.3	Confident	95.1	Very high	84 Å²	84	54.8 Å²	54.8	39%	0.393	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-33.9	-179.3	-56.2	73	-159.8	0	0	112	S155 L161 P203	S155-E157 VanDerWaalsContact C-N 3.3Å; S155-E157 WeakPolarHBondContact CB-OE2 3.43Å; S155-E157 PolarHBondContact OG-N 3.45Å; S155-E157 PolarHBondContact OG-OE2 2.84Å; E157-L161 VanDerWaalsContact O-CB 3.23Å; E157-L161 WeakPolarHBondContact O-CB 3.31Å; E157-L161 WeakPolarHBondContact O-CD1 3.32Å; E157-L161 VanDerWaalsContact O-CG 3.27Å; E157-L161 WeakPolarHBondContact O-CG 3.44Å; E157-L161 PolarHBondContact O-N 2.85Å; E157-P203 HydrophobicContact CB-CB 4.43Å; E157-P203 HydrophobicContact CB-CG 3.99Å; E157-P203 HydrophobicContact CG-CG 4.17Å
158	Y	93.1	Very high	95.1	Very high	16 Å²	16	54.8 Å²	54.8	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-48.4	175.9	-179.4	-82.4	0	0	0	111.7	E129 A151 N152 R153 S155 K156 K162 L180	E129-Y158 PolarHBondContact OE1-OH 3.05Å; E129-Y158 PolarHBondContact OE2-OH 3.27Å; A151-Y158 HydrophobicContact CB-CD2 3.75Å; A151-Y158 HydrophobicContact CB-CG 4.26Å; N152-Y158 WeakPolarHBondContact O-CB 3.44Å; R153-Y158 HydrophobicContact CB-CD2 4.17Å; R153-Y158 HydrophobicContact CB-CE2 3.95Å; R153-Y158 HydrophobicContact CG-CE1 4.23Å; R153-Y158 HydrophobicContact CG-CE2 4.45Å; S155-Y158 PolarHBondContact O-N 3.5Å; S155-Y158 PolarHBondContact OG-N 3.23Å; K156-Y158 VanDerWaalsContact C-N 3.27Å; K156-Y158 PolarHBondContact O-N 3.39Å; Y158-K162 VanDerWaalsContact O-CB 3.31Å; Y158-K162 WeakPolarHBondContact O-CB 3.49Å; Y158-K162 PolarHBondContact O-N 3.37Å; Y158-K162 VanDerWaalsContact O-N 3.09Å; Y158-L180 HydrophobicContact CD2-CD1 4.28Å; Y158-L180 HydrophobicContact CD2-CD2 4.39Å; Y158-L180 HydrophobicContact CE1-CD2 3.88Å; Y158-L180 HydrophobicContact CE2-CD1 4.01Å; Y158-L180 HydrophobicContact CE2-CD2 3.67Å; Y158-L180 HydrophobicContact CE2-CG 3.79Å; Y158-L180 WeakPolarHBondContact OH-CD2 3.5Å
159	T	94.9	Very high	95	Very high	86 Å²	86	54.7 Å²	54.7	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-68	-45.2	179.2	-55.4	0	0	0	0	111.1	K156 L161 K162 E163	K156-T159 PolarHBondContact O-N 3.24Å; T159-L161 PolarHBondContact O-N 3Å; T159-K162 PolarHBondContact O-N 2.99Å; T159-E163 WeakPolarHBondContact O-CB 3.33Å; T159-E163 PolarHBondContact O-N 3.32Å
160	E	93.5	Very high	95	Very high	74 Å²	74	57.4 Å²	57.4	35%	0.346	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-40.5	-179.7	-71.4	-175.7	152.6	0	0	112.6	K156 R164	K156-E160 WeakPolarHBondContact CE-OE1 3.36Å; K156-E160 HydrophobicContact CG-CG 4.22Å; K156-E160 IonicContact NZ-OE1 3.31Å; K156-E160 PolarHBondContact NZ-OE1 3.35Å; K156-E160 WeakPolarHBondContact O-CG 3.49Å; K156-E160 PolarHBondContact O-N 3.27Å; E160-R164 WeakPolarHBondContact O-CB 3.46Å; E160-R164 PolarHBondContact O-N 3.05Å
161	L	93.3	Very high	95	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-66.8	-43.9	175.5	-78.5	166.3	0	0	0	111.8	A151 E157 T159 E163 L165 P203 I223	A151-L161 HydrophobicContact CB-CD1 4.24Å; E157-L161 VanDerWaalsContact O-CB 3.23Å; E157-L161 WeakPolarHBondContact O-CB 3.31Å; E157-L161 WeakPolarHBondContact O-CD1 3.32Å; E157-L161 VanDerWaalsContact O-CG 3.27Å; E157-L161 WeakPolarHBondContact O-CG 3.44Å; E157-L161 PolarHBondContact O-N 2.85Å; T159-L161 PolarHBondContact O-N 3Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-E163 PolarHBondContact O-N 3.19Å; L161-L165 HydrophobicContact CD2-CD1 4.14Å; L161-L165 WeakPolarHBondContact O-CB 3.49Å; L161-L165 PolarHBondContact O-N 2.92Å; L161-P203 HydrophobicContact CD1-CB 3.35Å; L161-P203 HydrophobicContact CD1-CG 4.11Å; L161-I223 HydrophobicContact CD1-CD1 4.46Å; L161-I223 HydrophobicContact CD2-CB 4.03Å; L161-I223 HydrophobicContact CD2-CD1 4.2Å; L161-I223 HydrophobicContact CD2-CG2 3.56Å
162	K	95.6	Very high	95	Very high	98 Å²	98	62.2 Å²	62.2	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-58.4	-47.1	177.6	179.3	175.2	179.9	179.9	0	111.1	I127 Y158 T159 G166 L180	I127-K162 HydrophobicContact CG2-CG 4.17Å; Y158-K162 VanDerWaalsContact O-CB 3.31Å; Y158-K162 WeakPolarHBondContact O-CB 3.49Å; Y158-K162 PolarHBondContact O-N 3.37Å; Y158-K162 VanDerWaalsContact O-N 3.09Å; T159-K162 PolarHBondContact O-N 2.99Å; K162-G166 VanDerWaalsContact O-CA 3.3Å; K162-G166 WeakPolarHBondContact O-CA 3.5Å; K162-G166 PolarHBondContact O-N 2.72Å; K162-L180 HydrophobicContact CB-CD2 4.15Å; K162-L180 HydrophobicContact CD-CD2 4.07Å; K162-L180 HydrophobicContact CG-CD2 4.26Å
163	E	95.9	Very high	95.2	Very high	146 Å²	146	61.6 Å²	61.6	68%	0.682	33%	0.332	S	S	*	.	H	α-helix	trans	-67.7	-52.7	179.7	-174.8	-179.8	174.1	0	0	111.5	T159 L161 L165 G166 A167	T159-E163 WeakPolarHBondContact O-CB 3.33Å; T159-E163 PolarHBondContact O-N 3.32Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-E163 PolarHBondContact O-N 3.19Å; E163-L165 PolarHBondContact O-N 3.14Å; E163-G166 PolarHBondContact O-N 3.35Å; E163-A167 PolarHBondContact O-N 2.84Å; E163-A167 VanDerWaalsContact O-N 3.1Å
164	R	95.2	Very high	95.3	Very high	83 Å²	83	56.3 Å²	56.3	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-58.2	-48.1	-177	-179.5	-177.4	-58.7	155	7.6	112.5	E160 I223 T225	E160-R164 WeakPolarHBondContact O-CB 3.46Å; E160-R164 PolarHBondContact O-N 3.05Å; R164-I223 PolarHBondContact NH1-O 2.94Å; R164-T225 WeakPolarHBondContact CG-OG1 3.38Å
165	L	97	Very high	95.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-86.9	-20.3	-177.2	-59.6	-176.7	0	0	0	112	L149 L161 E163 A167 L168 A169 F178 V205 I223 V228	L149-L165 HydrophobicContact CD1-CD1 4.38Å; L149-L165 HydrophobicContact CD2-CB 3.89Å; L149-L165 HydrophobicContact CD2-CD1 3.62Å; L149-L165 HydrophobicContact CD2-CG 4.3Å; L149-L165 HydrophobicContact CG-CD1 3.79Å; L161-L165 HydrophobicContact CD2-CD1 4.14Å; L161-L165 WeakPolarHBondContact O-CB 3.49Å; L161-L165 PolarHBondContact O-N 2.92Å; E163-L165 PolarHBondContact O-N 3.14Å; L165-A167 VanDerWaalsContact C-N 3.3Å; L165-L168 HydrophobicContact CD2-CD2 4.1Å; L165-L168 WeakPolarHBondContact O-CB 3.38Å; L165-L168 PolarHBondContact O-N 3.5Å; L165-L168 VanDerWaalsContact O-N 3.12Å; L165-A169 PolarHBondContact O-N 2.91Å; L165-F178 HydrophobicContact CB-CD2 4.41Å; L165-F178 HydrophobicContact CB-CE2 4.39Å; L165-V205 HydrophobicContact CD1-CG2 3.94Å; L165-I223 HydrophobicContact CD1-CG2 4.49Å; L165-V228 HydrophobicContact CD1-CG1 4.41Å; L165-V228 HydrophobicContact CD1-CG2 4.24Å; L165-V228 HydrophobicContact CD2-CB 3.92Å; L165-V228 HydrophobicContact CD2-CG1 3.92Å; L165-V228 HydrophobicContact CD2-CG2 3.89Å
166	G	96.6	Very high	95.9	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-39	167.5	0	0	0	0	0	112	K162 E163 L168 A169 P170	K162-G166 VanDerWaalsContact O-CA 3.3Å; K162-G166 WeakPolarHBondContact O-CA 3.5Å; K162-G166 PolarHBondContact O-N 2.72Å; E163-G166 PolarHBondContact O-N 3.35Å; G166-L168 PolarHBondContact O-N 2.82Å; G166-A169 PolarHBondContact O-N 3.2Å; G166-P170 WeakPolarHBondContact O-CD 3.22Å
167	A	96.3	Very high	96.2	Very high	81 Å²	81	49.2 Å²	49.2	67%	0.669	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.2	173	0	0	0	0	0	113.7	E163 L165	E163-A167 PolarHBondContact O-N 2.84Å; E163-A167 VanDerWaalsContact O-N 3.1Å; L165-A167 VanDerWaalsContact C-N 3.3Å
168	L	97.4	Very high	96.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-32.4	177.4	-178.7	62.9	0	0	0	112.6	L165 G166 P170 E171 F172 F178 T225 V228 R229	L165-L168 HydrophobicContact CD2-CD2 4.1Å; L165-L168 WeakPolarHBondContact O-CB 3.38Å; L165-L168 PolarHBondContact O-N 3.5Å; L165-L168 VanDerWaalsContact O-N 3.12Å; G166-L168 PolarHBondContact O-N 2.82Å; L168-P170 VanDerWaalsContact C-CD 3.42Å; L168-P170 VanDerWaalsContact C-N 3.35Å; L168-E171 HydrophobicContact CD1-CG 4.4Å; L168-E171 WeakPolarHBondContact O-CB 3.39Å; L168-E171 PolarHBondContact O-N 3.07Å; L168-E171 VanDerWaalsContact O-N 3.08Å; L168-F172 HydrophobicContact CD1-CD2 4.41Å; L168-F172 HydrophobicContact CD1-CE2 3.88Å; L168-F172 HydrophobicContact CD2-CE2 4.19Å; L168-F172 HydrophobicContact CG-CD2 4.14Å; L168-F172 HydrophobicContact CG-CE2 3.89Å; L168-F178 HydrophobicContact CD2-CE2 4.47Å; L168-F178 HydrophobicContact CG-CZ 4.42Å; L168-T225 HydrophobicContact CB-CG2 4.21Å; L168-T225 HydrophobicContact CD1-CG2 3.9Å; L168-T225 HydrophobicContact CD2-CG2 4.2Å; L168-T225 HydrophobicContact CG-CG2 4.33Å; L168-V228 HydrophobicContact CD2-CB 4.15Å; L168-V228 HydrophobicContact CD2-CG1 3.8Å; L168-R229 HydrophobicContact CD1-CB 4.25Å; L168-R229 HydrophobicContact CD1-CG 4.47Å; L168-R229 HydrophobicContact CD2-CB 4.42Å
169	A	97.8	Very high	96.9	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-52.5	-39.6	-172.1	0	0	0	0	0	114.9	Y126 L165 G166 E171 F172 T173 F178	Y126-A169 HydrophobicContact CD1-CB 3.92Å; Y126-A169 HydrophobicContact CG-CB 4.15Å; Y126-A169 WeakPolarHBondContact O-CB 3.31Å; L165-A169 PolarHBondContact O-N 2.91Å; G166-A169 PolarHBondContact O-N 3.2Å; A169-E171 PolarHBondContact O-N 3.34Å; A169-F172 PolarHBondContact O-N 3.44Å; A169-T173 PolarHBondContact O-N 2.9Å; A169-F178 HydrophobicContact CB-CD1 3.91Å; A169-F178 HydrophobicContact CB-CD2 3.97Å; A169-F178 HydrophobicContact CB-CE1 4.01Å; A169-F178 HydrophobicContact CB-CE2 4.05Å; A169-F178 HydrophobicContact CB-CG 3.94Å; A169-F178 HydrophobicContact CB-CZ 4.1Å
170	P	97.6	Very high	97	Very high	58 Å²	58	40.6 Å²	40.6	38%	0.377	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57.5	-31.5	177.7	-27.4	35.6	0	0	0	114.8	Y126 G166 L168 F172 T173	Y126-P170 HydrophobicContact CD1-CG 4.34Å; Y126-P170 HydrophobicContact CD2-CG 4.1Å; Y126-P170 HydrophobicContact CE1-CB 4.22Å; Y126-P170 HydrophobicContact CE1-CG 4.15Å; Y126-P170 HydrophobicContact CE2-CB 4.43Å; Y126-P170 HydrophobicContact CE2-CG 3.89Å; Y126-P170 HydrophobicContact CG-CG 4.35Å; G166-P170 WeakPolarHBondContact O-CD 3.22Å; L168-P170 VanDerWaalsContact C-CD 3.42Å; L168-P170 VanDerWaalsContact C-N 3.35Å; P170-F172 PolarHBondContact O-N 3.39Å; P170-F172 VanDerWaalsContact O-N 3.12Å; P170-T173 PolarHBondContact O-N 2.92Å; P170-T173 PolarHBondContact O-OG1 3.32Å
171	E	97.8	Very high	97.2	Very high	100 Å²	100	37.4 Å²	37.4	47%	0.467	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-62.2	-19.9	177	-63	-178.2	-153.2	0	0	112.9	L168 A169 R229	L168-E171 HydrophobicContact CD1-CG 4.4Å; L168-E171 WeakPolarHBondContact O-CB 3.39Å; L168-E171 PolarHBondContact O-N 3.07Å; L168-E171 VanDerWaalsContact O-N 3.08Å; A169-E171 PolarHBondContact O-N 3.34Å; E171-R229 IonicContact OE1-CZ 3.75Å; E171-R229 IonicContact OE1-NE 2.79Å; E171-R229 IonicContact OE1-NH2 3.83Å; E171-R229 PolarHBondContact OE1-NH2 2.72Å; E171-R229 IonicContact OE2-CZ 3.14Å; E171-R229 IonicContact OE2-NE 3.79Å; E171-R229 PolarHBondContact OE2-NE 2.86Å; E171-R229 IonicContact OE2-NH2 2.74Å; E171-R229 PolarHBondContact OE2-NH2 3.27Å
172	F	98.1	Very high	97.4	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-116.5	14.3	-172.9	-71.2	-69.9	0	0	0	113.3	L168 A169 P170 G174 K175 F176 F178 R229 C232 L236	L168-F172 HydrophobicContact CD1-CD2 4.41Å; L168-F172 HydrophobicContact CD1-CE2 3.88Å; L168-F172 HydrophobicContact CD2-CE2 4.19Å; L168-F172 HydrophobicContact CG-CD2 4.14Å; L168-F172 HydrophobicContact CG-CE2 3.89Å; A169-F172 PolarHBondContact O-N 3.44Å; P170-F172 PolarHBondContact O-N 3.39Å; P170-F172 VanDerWaalsContact O-N 3.12Å; F172-G174 PolarHBondContact O-N 3.48Å; F172-K175 WeakPolarHBondContact O-CA 3.27Å; F172-K175 WeakPolarHBondContact O-CB 3.13Å; F172-K175 PolarHBondContact O-N 3.47Å; F172-F176 HydrophobicContact CB-CB 4.38Å; F172-F176 HydrophobicContact CB-CD2 3.87Å; F172-F176 AromaticContact CD1-CD2 3.43Å; F172-F176 HydrophobicContact CD1-CD2 3.43Å; F172-F176 VanDerWaalsContact CD1-CD2 3.43Å; F172-F176 AromaticContact CD1-CE2 3.51Å; F172-F176 HydrophobicContact CD1-CE2 3.51Å; F172-F176 HydrophobicContact CE1-CD2 4.22Å; F172-F176 AromaticContact CE1-CE2 3.87Å; F172-F176 HydrophobicContact CE1-CE2 3.87Å; F172-F176 AromaticContact CG-CD2 3.86Å; F172-F176 HydrophobicContact CG-CD2 3.86Å; F172-F176 HydrophobicContact CG-CE2 4.36Å; F172-F176 PolarHBondContact O-N 3.33Å; F172-F176 VanDerWaalsContact O-N 3.11Å; F172-F178 HydrophobicContact CB-CE1 3.85Å; F172-F178 HydrophobicContact CB-CZ 4.33Å; F172-F178 HydrophobicContact CD2-CE1 4.25Å; F172-F178 AromaticContact CD2-CZ 3.86Å; F172-F178 HydrophobicContact CD2-CZ 3.86Å; F172-F178 HydrophobicContact CG-CE1 4.36Å; F172-F178 HydrophobicContact CG-CZ 4.41Å; F172-R229 HydrophobicContact CE2-CG 4.32Å; F172-R229 HydrophobicContact CZ-CG 4.03Å; F172-C232 HydrophobicContact CD1-CB 4.26Å; F172-C232 HydrophobicContact CE1-CB 3.49Å; F172-C232 VanDerWaalsContact CE1-CB 3.49Å; F172-C232 HydrophobicContact CE2-CB 4.17Å; F172-C232 HydrophobicContact CZ-CB 3.43Å; F172-C232 VanDerWaalsContact CZ-CB 3.43Å; F172-L236 HydrophobicContact CE1-CD1 4.32Å
173	T	98.1	Very high	97.4	Very high	34 Å²	34	33.1 Å²	33.1	21%	0.209	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	129.9	173.2	-60.8	0	0	0	0	111.2	K94 V95 N97 Y126 A169 P170 K175	K94-T173 WeakPolarHBondContact O-CG2 3.27Å; V95-T173 WeakPolarHBondContact O-CA 3.3Å; N97-T173 WeakPolarHBondContact ND2-CG2 3.46Å; Y126-T173 WeakPolarHBondContact CE1-OG1 3.38Å; Y126-T173 PolarHBondContact OH-OG1 3.26Å; A169-T173 PolarHBondContact O-N 2.9Å; P170-T173 PolarHBondContact O-N 2.92Å; P170-T173 PolarHBondContact O-OG1 3.32Å; T173-K175 PolarHBondContact O-N 2.72Å
174	G	97.1	Very high	97.3	Very high	38 Å²	38	28.7 Å²	28.7	39%	0.392	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	3.5	-179.3	0	0	0	0	0	115.2	V95 F172	V95-G174 PolarHBondContact O-N 3.41Å; F172-G174 PolarHBondContact O-N 3.48Å
175	K	98	Very high	97.3	Very high	101 Å²	101	27.3 Å²	27.3	44%	0.439	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-40.6	180	-58.5	176.9	-173.6	169.6	0	112.5	V143 F172 T173 L236	V143-K175 VanDerWaalsContact CG1-C 3.49Å; V143-K175 WeakPolarHBondContact CG1-O 3.19Å; F172-K175 WeakPolarHBondContact O-CA 3.27Å; F172-K175 WeakPolarHBondContact O-CB 3.13Å; F172-K175 PolarHBondContact O-N 3.47Å; T173-K175 PolarHBondContact O-N 2.72Å; K175-L236 HydrophobicContact CD-CD1 4.09Å
176	F	98.3	Very high	97.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	22%	0.217	C	C	.	.			trans	-136.9	137.3	179.3	-60	-90.4	0	0	0	110.9	T145 F172 F178 L207 C232 F235 L236	T145-F176 HydrophobicContact CG2-CD1 3.51Å; T145-F176 HydrophobicContact CG2-CE1 3.53Å; T145-F176 WeakPolarHBondContact O-CA 3.46Å; F172-F176 HydrophobicContact CB-CB 4.38Å; F172-F176 HydrophobicContact CB-CD2 3.87Å; F172-F176 AromaticContact CD1-CD2 3.43Å; F172-F176 HydrophobicContact CD1-CD2 3.43Å; F172-F176 VanDerWaalsContact CD1-CD2 3.43Å; F172-F176 AromaticContact CD1-CE2 3.51Å; F172-F176 HydrophobicContact CD1-CE2 3.51Å; F172-F176 HydrophobicContact CE1-CD2 4.22Å; F172-F176 AromaticContact CE1-CE2 3.87Å; F172-F176 HydrophobicContact CE1-CE2 3.87Å; F172-F176 AromaticContact CG-CD2 3.86Å; F172-F176 HydrophobicContact CG-CD2 3.86Å; F172-F176 HydrophobicContact CG-CE2 4.36Å; F172-F176 PolarHBondContact O-N 3.33Å; F172-F176 VanDerWaalsContact O-N 3.11Å; F176-F178 HydrophobicContact CB-CD1 4.3Å; F176-F178 HydrophobicContact CB-CE1 4.05Å; F176-L207 HydrophobicContact CD1-CD2 3.62Å; F176-L207 HydrophobicContact CE1-CD2 3.46Å; F176-L207 VanDerWaalsContact CE1-CD2 3.46Å; F176-C232 HydrophobicContact CE2-CB 3.86Å; F176-C232 HydrophobicContact CZ-CB 3.88Å; F176-F235 AromaticContact CE1-CD1 3.56Å; F176-F235 HydrophobicContact CE1-CD1 3.56Å; F176-F235 HydrophobicContact CE1-CE1 4.09Å; F176-F235 HydrophobicContact CE1-CG 4.22Å; F176-F235 HydrophobicContact CZ-CB 4.39Å; F176-F235 AromaticContact CZ-CD1 3.65Å; F176-F235 HydrophobicContact CZ-CD1 3.65Å; F176-F235 HydrophobicContact CZ-CE1 4.43Å; F176-F235 HydrophobicContact CZ-CG 4.38Å; F176-L236 HydrophobicContact CE2-CD1 3.89Å; F176-L236 HydrophobicContact CE2-CD2 3.78Å; F176-L236 HydrophobicContact CE2-CG 3.77Å; F176-L236 HydrophobicContact CZ-CD1 4.39Å; F176-L236 HydrophobicContact CZ-CD2 3.8Å; F176-L236 HydrophobicContact CZ-CG 3.78Å
177	L	98.5	Very high	97	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.1	163.7	-56.3	178.7	0	0	0	108.5	V95 D96 L124 L138 V143 T145 H146 L147 V179	V95-L177 HydrophobicContact CG1-CD2 4.13Å; V95-L177 HydrophobicContact CG2-CD2 3.94Å; D96-L177 HydrophobicContact CB-CD2 4.34Å; L124-L177 HydrophobicContact CD1-CD1 4.3Å; L138-L177 HydrophobicContact CD2-CB 4.17Å; L138-L177 HydrophobicContact CD2-CD1 3.9Å; V143-L177 HydrophobicContact CB-CD1 4.43Å; V143-L177 HydrophobicContact CB-CD2 4.06Å; V143-L177 HydrophobicContact CB-CG 4Å; V143-L177 HydrophobicContact CG1-CD2 4.2Å; V143-L177 HydrophobicContact CG1-CG 3.91Å; T145-L177 PolarHBondContact O-N 2.99Å; H146-L177 CarbonylContact C-O 3.54Å; H146-L177 VanDerWaalsContact CA-O 3.22Å; H146-L177 WeakPolarHBondContact CA-O 3.23Å; L147-L177 PolarHBondContact N-O 3.48Å; L177-V179 HydrophobicContact CB-CG2 4.38Å; L177-V179 PolarHBondContact O-N 3.47Å
178	F	98.7	Very high	97	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.1	176.7	-68.2	46.6	0	0	0	108.7	Y126 I127 T128 L147 L149 L165 L168 A169 F172 F176	Y126-F178 VanDerWaalsContact O-CB 3.29Å; Y126-F178 WeakPolarHBondContact O-CB 3.46Å; I127-F178 HydrophobicContact CD1-CB 3.59Å; I127-F178 HydrophobicContact CD1-CD2 3.85Å; I127-F178 HydrophobicContact CD1-CG 4.13Å; T128-F178 PolarHBondContact N-O 3.31Å; L147-F178 HydrophobicContact CB-CD1 4.25Å; L147-F178 HydrophobicContact CB-CD2 4.46Å; L147-F178 HydrophobicContact CB-CE1 4.43Å; L147-F178 HydrophobicContact CB-CG 4.22Å; L147-F178 HydrophobicContact CD2-CD1 4.45Å; L147-F178 HydrophobicContact CD2-CD2 3.52Å; L147-F178 HydrophobicContact CD2-CE1 4.21Å; L147-F178 HydrophobicContact CD2-CE2 3.24Å; L147-F178 HydrophobicContact CD2-CG 4.11Å; L147-F178 HydrophobicContact CD2-CZ 3.6Å; L147-F178 CarbonylContact O-C 3.57Å; L147-F178 VanDerWaalsContact O-CA 3.31Å; L147-F178 WeakPolarHBondContact O-CA 3.4Å; L149-F178 HydrophobicContact CD1-CB 4.26Å; L149-F178 HydrophobicContact CD1-CD2 4.21Å; L165-F178 HydrophobicContact CB-CD2 4.41Å; L165-F178 HydrophobicContact CB-CE2 4.39Å; L168-F178 HydrophobicContact CD2-CE2 4.47Å; L168-F178 HydrophobicContact CG-CZ 4.42Å; A169-F178 HydrophobicContact CB-CD1 3.91Å; A169-F178 HydrophobicContact CB-CD2 3.97Å; A169-F178 HydrophobicContact CB-CE1 4.01Å; A169-F178 HydrophobicContact CB-CE2 4.05Å; A169-F178 HydrophobicContact CB-CG 3.94Å; A169-F178 HydrophobicContact CB-CZ 4.1Å; F172-F178 HydrophobicContact CB-CE1 3.85Å; F172-F178 HydrophobicContact CB-CZ 4.33Å; F172-F178 HydrophobicContact CD2-CE1 4.25Å; F172-F178 AromaticContact CD2-CZ 3.86Å; F172-F178 HydrophobicContact CD2-CZ 3.86Å; F172-F178 HydrophobicContact CG-CE1 4.36Å; F172-F178 HydrophobicContact CG-CZ 4.41Å; F176-F178 HydrophobicContact CB-CD1 4.3Å; F176-F178 HydrophobicContact CB-CE1 4.05Å
179	V	98.4	Very high	96.9	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.6	-170.9	-176.6	0	0	0	0	109.4	T128 Y130 L138 H146 L147 V148 L149 L177 I181	T128-V179 CarbonylContact O-C 3.57Å; T128-V179 WeakPolarHBondContact O-CA 3.38Å; Y130-V179 HydrophobicContact CD2-CG1 4.21Å; Y130-V179 HydrophobicContact CG-CG1 4.43Å; L138-V179 HydrophobicContact CD1-CG1 3.86Å; L138-V179 HydrophobicContact CD1-CG2 3.95Å; L138-V179 HydrophobicContact CD2-CG2 3.7Å; L138-V179 HydrophobicContact CG-CG2 4.46Å; H146-V179 HydrophobicContact CB-CG2 3.99Å; L147-V179 PolarHBondContact O-N 3.14Å; V148-V179 CarbonylContact C-O 3.57Å; V148-V179 WeakPolarHBondContact CA-O 3.13Å; L149-V179 PolarHBondContact N-O 3.36Å; L177-V179 HydrophobicContact CB-CG2 4.38Å; L177-V179 PolarHBondContact O-N 3.47Å; V179-I181 HydrophobicContact CG1-CG1 4.16Å
180	L	97.9	Very high	96.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.2	177.8	-178.1	59	0	0	0	110.2	I127 T128 E129 Y130 L149 A151 Y158 K162	I127-L180 HydrophobicContact CG2-CB 3.75Å; I127-L180 HydrophobicContact CG2-CD2 4.09Å; T128-L180 PolarHBondContact O-N 3.44Å; E129-L180 WeakPolarHBondContact CA-O 3.37Å; Y130-L180 PolarHBondContact N-O 3.03Å; L149-L180 HydrophobicContact CB-CD1 3.73Å; L149-L180 CarbonylContact O-C 3.55Å; L149-L180 WeakPolarHBondContact O-CA 3.37Å; A151-L180 HydrophobicContact CB-CD1 4.5Å; Y158-L180 HydrophobicContact CD2-CD1 4.28Å; Y158-L180 HydrophobicContact CD2-CD2 4.39Å; Y158-L180 HydrophobicContact CE1-CD2 3.88Å; Y158-L180 HydrophobicContact CE2-CD1 4.01Å; Y158-L180 HydrophobicContact CE2-CD2 3.67Å; Y158-L180 HydrophobicContact CE2-CG 3.79Å; Y158-L180 WeakPolarHBondContact OH-CD2 3.5Å; K162-L180 HydrophobicContact CB-CD2 4.15Å; K162-L180 HydrophobicContact CD-CD2 4.07Å; K162-L180 HydrophobicContact CG-CD2 4.26Å
181	I	97.8	Very high	96.6	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.6	179.4	-56	-167.6	0	0	0	109.5	Y130 V148 L149 F150 A151 V179 G183 N188 L192	Y130-I181 HydrophobicContact CG-CD1 4.38Å; Y130-I181 HydrophobicContact CG-CG1 4.22Å; V148-I181 HydrophobicContact CG1-CD1 3.44Å; V148-I181 VanDerWaalsContact CG1-CD1 3.44Å; V148-I181 HydrophobicContact CG1-CG1 3.72Å; L149-I181 PolarHBondContact O-N 2.89Å; F150-I181 HydrophobicContact CD1-CB 4Å; F150-I181 HydrophobicContact CD1-CD1 4.4Å; F150-I181 HydrophobicContact CD1-CG2 4.28Å; F150-I181 HydrophobicContact CE1-CB 4.32Å; F150-I181 HydrophobicContact CE1-CD1 3.84Å; F150-I181 HydrophobicContact CE1-CG1 4.46Å; F150-I181 HydrophobicContact CZ-CD1 4.4Å; A151-I181 PolarHBondContact N-O 2.75Å; A151-I181 VanDerWaalsContact O-O 3.1Å; V179-I181 HydrophobicContact CG1-CG1 4.16Å; I181-G183 PolarHBondContact O-N 2.96Å; I181-N188 HydrophobicContact CG2-CB 3.77Å; I181-L192 HydrophobicContact CG2-CD1 3.78Å
182	N	96.9	Very high	96.6	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.08	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	107.7	171.1	-177.3	4.4	0	0	0	110.6	A151 R153 G184 V185 N188	A151-N182 VanDerWaalsContact O-CA 3.28Å; A151-N182 WeakPolarHBondContact O-CA 3.3Å; R153-N182 HydrophobicContact CB-CB 4.41Å; R153-N182 WeakPolarHBondContact CB-ND2 3.29Å; R153-N182 PolarHBondContact N-OD1 3.21Å; N182-G184 PolarHBondContact O-N 3Å; N182-G184 PolarHBondContact OD1-N 3.35Å; N182-V185 HydrophobicContact CB-CG2 4.21Å; N182-V185 WeakPolarHBondContact ND2-CG2 3.46Å; N182-V185 PolarHBondContact O-N 2.64Å; N182-N188 PolarHBondContact O-ND2 2.94Å
183	G	95.9	Very high	96.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.1	179.8	0	0	0	0	0	115.5	A151 N152 I181 V185 F189 S199	A151-G183 PolarHBondContact O-N 3.19Å; N152-G183 WeakPolarHBondContact OD1-CA 3.34Å; I181-G183 PolarHBondContact O-N 2.96Å; G183-V185 VanDerWaalsContact C-N 3.31Å; G183-F189 WeakPolarHBondContact O-CE1 3.23Å; G183-S199 WeakPolarHBondContact O-CB 3.33Å; G183-S199 PolarHBondContact O-OG 3.07Å
184	G	94.1	Very high	96.3	Very high	53 Å²	53	47.5 Å²	47.5	55%	0.546	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-10.1	174.5	0	0	0	0	0	113.7	N152 N182	N152-G184 PolarHBondContact OD1-N 3.16Å; N152-G184 VanDerWaalsContact OD1-N 3.08Å; N182-G184 PolarHBondContact O-N 3Å; N182-G184 PolarHBondContact OD1-N 3.35Å
185	V	94.8	Very high	96.3	Very high	54 Å²	54	46.1 Å²	46.1	33%	0.327	24%	0.238	S	C	.	.			trans	-96	121	-177.2	172.4	0	0	0	0	110.2	N182 G183 S187 N188 F189	N182-V185 HydrophobicContact CB-CG2 4.21Å; N182-V185 WeakPolarHBondContact ND2-CG2 3.46Å; N182-V185 PolarHBondContact O-N 2.64Å; G183-V185 VanDerWaalsContact C-N 3.31Å; V185-S187 VanDerWaalsContact C-N 3.3Å; V185-S187 WeakPolarHBondContact CG1-OG 3.36Å; V185-S187 PolarHBondContact O-N 2.79Å; V185-N188 WeakPolarHBondContact O-CB 3.46Å; V185-N188 PolarHBondContact O-N 3.31Å; V185-F189 WeakPolarHBondContact O-CD1 3.42Å
186	K	94	Very high	96.3	Very high	173 Å²	173	43.6 Å²	43.6	75%	0.752	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-56.7	-37.9	-177.2	-70.9	-176.5	177.4	179.2	0	113.9	N188 F189	K186-N188 PolarHBondContact O-N 2.67Å; K186-N188 VanDerWaalsContact O-N 3.15Å; K186-F189 HydrophobicContact CB-CE2 4.42Å; K186-F189 HydrophobicContact CG-CE2 3.98Å; K186-F189 HydrophobicContact CG-CZ 3.98Å; K186-F189 WeakPolarHBondContact O-CB 3.42Å; K186-F189 WeakPolarHBondContact O-CG 3.12Å; K186-F189 PolarHBondContact O-N 2.87Å; K186-F189 VanDerWaalsContact O-N 3.08Å
187	S	94.3	Very high	96.2	Very high	77 Å²	77	43.7 Å²	43.7	54%	0.538	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-64.5	-16.4	178.2	55.6	0	0	0	0	113.3	V185	V185-S187 VanDerWaalsContact C-N 3.3Å; V185-S187 WeakPolarHBondContact CG1-OG 3.36Å; V185-S187 PolarHBondContact O-N 2.79Å
188	N	95.9	Very high	96	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.037	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-90.9	-7.1	177.1	-65.2	-10.4	0	0	0	113	Y130 I181 N182 V185 K186 K190 S191 L192	Y130-N188 WeakPolarHBondContact CD1-OD1 3.46Å; I181-N188 HydrophobicContact CG2-CB 3.77Å; N182-N188 PolarHBondContact O-ND2 2.94Å; V185-N188 WeakPolarHBondContact O-CB 3.46Å; V185-N188 PolarHBondContact O-N 3.31Å; K186-N188 PolarHBondContact O-N 2.67Å; K186-N188 VanDerWaalsContact O-N 3.15Å; N188-K190 PolarHBondContact O-N 3.48Å; N188-S191 WeakPolarHBondContact O-CB 3.33Å; N188-S191 PolarHBondContact O-N 3.22Å; N188-L192 HydrophobicContact CB-CD1 4.32Å; N188-L192 VanDerWaalsContact O-CD1 3.27Å; N188-L192 WeakPolarHBondContact O-CD1 3.38Å; N188-L192 PolarHBondContact O-N 3.43Å; N188-L192 VanDerWaalsContact O-N 3.17Å
189	F	95.1	Very high	95.7	Very high	77 Å²	77	52 Å²	52	34%	0.338	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-31.1	-176.1	-72	4.1	0	0	0	112.7	G183 V185 K186 S191 L192 N193	G183-F189 WeakPolarHBondContact O-CE1 3.23Å; V185-F189 WeakPolarHBondContact O-CD1 3.42Å; K186-F189 HydrophobicContact CB-CE2 4.42Å; K186-F189 HydrophobicContact CG-CE2 3.98Å; K186-F189 HydrophobicContact CG-CZ 3.98Å; K186-F189 WeakPolarHBondContact O-CB 3.42Å; K186-F189 WeakPolarHBondContact O-CG 3.12Å; K186-F189 PolarHBondContact O-N 2.87Å; K186-F189 VanDerWaalsContact O-N 3.08Å; F189-S191 VanDerWaalsContact C-N 3.28Å; F189-S191 PolarHBondContact O-N 3.42Å; F189-L192 PolarHBondContact O-N 3.16Å; F189-N193 WeakPolarHBondContact O-CB 3.33Å; F189-N193 PolarHBondContact O-N 3.01Å; F189-N193 PolarHBondContact O-ND2 3.26Å
190	K	94.4	Very high	95.5	Very high	181 Å²	181	57.6 Å²	57.6	79%	0.787	32%	0.316	S	S	*	.	H	α-helix	trans	-59.4	-41.2	173.5	-172.4	178.4	178.1	-175.6	0	111.4	N188 Y194	N188-K190 PolarHBondContact O-N 3.48Å; K190-Y194 WeakPolarHBondContact O-CB 3.39Å; K190-Y194 PolarHBondContact O-N 2.62Å
191	S	94.4	Very high	95.3	Very high	23 Å²	23	60.9 Å²	60.9	16%	0.161	33%	0.334	C	S	.	.	H	α-helix	trans	-69.2	-39.6	178	-49.3	0	0	0	0	112	N188 F189 Y194 F195	N188-S191 WeakPolarHBondContact O-CB 3.33Å; N188-S191 PolarHBondContact O-N 3.22Å; F189-S191 VanDerWaalsContact C-N 3.28Å; F189-S191 PolarHBondContact O-N 3.42Å; S191-Y194 PolarHBondContact O-N 2.95Å; S191-F195 WeakPolarHBondContact O-CD2 3.49Å
192	L	96.8	Very high	95.2	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-50.6	174.4	-84	69	0	0	0	111	F150 I181 N188 F189 Y194 F195 G196 L197 L202	F150-L192 HydrophobicContact CD1-CD1 4.01Å; F150-L192 HydrophobicContact CD1-CG 4.11Å; F150-L192 HydrophobicContact CE1-CD1 4.31Å; F150-L192 HydrophobicContact CE1-CG 4.45Å; I181-L192 HydrophobicContact CG2-CD1 3.78Å; N188-L192 HydrophobicContact CB-CD1 4.32Å; N188-L192 VanDerWaalsContact O-CD1 3.27Å; N188-L192 WeakPolarHBondContact O-CD1 3.38Å; N188-L192 PolarHBondContact O-N 3.43Å; N188-L192 VanDerWaalsContact O-N 3.17Å; F189-L192 PolarHBondContact O-N 3.16Å; L192-Y194 PolarHBondContact O-N 3.39Å; L192-F195 CarbonylContact O-C 3.55Å; L192-F195 WeakPolarHBondContact O-CA 3.21Å; L192-F195 PolarHBondContact O-N 2.8Å; L192-G196 PolarHBondContact O-N 2.85Å; L192-L197 CarbonylContact C-O 3.38Å; L192-L197 HydrophobicContact CB-CB 4.36Å; L192-L197 PolarHBondContact O-N 2.95Å; L192-L202 HydrophobicContact CD2-CD1 4.15Å
193	N	96	Very high	95.3	Very high	105 Å²	105	63 Å²	63	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-61.6	-33.7	-179.6	-70.1	-16.4	0	0	0	112	F189 F195 G196 L197	F189-N193 WeakPolarHBondContact O-CB 3.33Å; F189-N193 PolarHBondContact O-N 3.01Å; F189-N193 PolarHBondContact O-ND2 3.26Å; N193-F195 PolarHBondContact O-N 2.7Å; N193-G196 WeakPolarHBondContact O-CA 3.46Å; N193-G196 PolarHBondContact O-N 2.98Å; N193-L197 PolarHBondContact OD1-O 3.48Å
194	Y	95.4	Very high	95.4	Very high	75 Å²	75	65.1 Å²	65.1	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-58.2	-37.4	174.3	-175.1	-113.1	0	0	0	111.2	K190 S191 L192 G196 Y208 D213 K215	K190-Y194 WeakPolarHBondContact O-CB 3.39Å; K190-Y194 PolarHBondContact O-N 2.62Å; S191-Y194 PolarHBondContact O-N 2.95Å; L192-Y194 PolarHBondContact O-N 3.39Å; Y194-G196 VanDerWaalsContact C-N 3.28Å; Y194-G196 PolarHBondContact O-N 2.89Å; Y194-Y208 AromaticContact CE1-CD2 3.82Å; Y194-Y208 HydrophobicContact CE1-CD2 3.82Å; Y194-Y208 AromaticContact CE1-CE2 3.74Å; Y194-Y208 HydrophobicContact CE1-CE2 3.74Å; Y194-D213 PolarHBondContact OH-O 3.23Å; Y194-D213 VanDerWaalsContact OH-O 3.1Å; Y194-D213 PolarHBondContact OH-OD1 3.27Å; Y194-D213 PolarHBondContact OH-OD2 2.78Å; Y194-K215 HydrophobicContact CD1-CD 3.69Å; Y194-K215 HydrophobicContact CE1-CD 3.5Å; Y194-K215 HydrophobicContact CE2-CD 4.38Å; Y194-K215 HydrophobicContact CG-CD 4.2Å; Y194-K215 WeakPolarHBondContact O-CD 3.26Å; Y194-K215 WeakPolarHBondContact O-CE 3.32Å
195	F	97.2	Very high	95.6	Very high	9 Å²	9	62.6 Å²	62.6	4%	0.039	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	4	172.9	-78.6	-102.2	0	0	0	114.3	V148 F150 S191 L192 N193 L197 L207 K215 L217 A246 G247	V148-F195 HydrophobicContact CB-CZ 4.26Å; V148-F195 HydrophobicContact CG2-CE2 4.36Å; V148-F195 HydrophobicContact CG2-CZ 3.88Å; F150-F195 HydrophobicContact CE1-CD2 4.34Å; F150-F195 HydrophobicContact CE2-CD1 4.16Å; F150-F195 HydrophobicContact CE2-CD2 4.28Å; F150-F195 HydrophobicContact CE2-CE1 4.31Å; F150-F195 HydrophobicContact CE2-CE2 4.42Å; F150-F195 HydrophobicContact CE2-CG 4.1Å; F150-F195 HydrophobicContact CE2-CZ 4.4Å; F150-F195 HydrophobicContact CZ-CB 4.2Å; F150-F195 HydrophobicContact CZ-CD1 4.17Å; F150-F195 AromaticContact CZ-CD2 3.48Å; F150-F195 HydrophobicContact CZ-CD2 3.48Å; F150-F195 VanDerWaalsContact CZ-CD2 3.48Å; F150-F195 HydrophobicContact CZ-CE1 4.38Å; F150-F195 AromaticContact CZ-CE2 3.72Å; F150-F195 HydrophobicContact CZ-CE2 3.72Å; F150-F195 AromaticContact CZ-CG 3.69Å; F150-F195 HydrophobicContact CZ-CG 3.69Å; F150-F195 HydrophobicContact CZ-CZ 4.14Å; S191-F195 WeakPolarHBondContact O-CD2 3.49Å; L192-F195 CarbonylContact O-C 3.55Å; L192-F195 WeakPolarHBondContact O-CA 3.21Å; L192-F195 PolarHBondContact O-N 2.8Å; N193-F195 PolarHBondContact O-N 2.7Å; F195-L197 VanDerWaalsContact C-N 3.26Å; F195-L197 HydrophobicContact CB-CD1 4.09Å; F195-L197 HydrophobicContact CB-CG 4Å; F195-L197 PolarHBondContact O-N 3.41Å; F195-L207 WeakPolarHBondContact CE1-O 3.33Å; F195-K215 HydrophobicContact CD1-CB 4.23Å; F195-K215 HydrophobicContact CE1-CB 3.86Å; F195-K215 HydrophobicContact CZ-CB 4.15Å; F195-L217 HydrophobicContact CD1-CD2 3.95Å; F195-L217 HydrophobicContact CD1-CG 4.33Å; F195-A246 HydrophobicContact CD1-CB 4.08Å; F195-G247 PolarHBondContact O-N 2.75Å
196	G	96.4	Very high	95.7	Very high	48 Å²	48	60 Å²	60	50%	0.495	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	23.2	-173.7	0	0	0	0	0	113.8	L192 N193 Y194	L192-G196 PolarHBondContact O-N 2.85Å; N193-G196 WeakPolarHBondContact O-CA 3.46Å; N193-G196 PolarHBondContact O-N 2.98Å; Y194-G196 VanDerWaalsContact C-N 3.28Å; Y194-G196 PolarHBondContact O-N 2.89Å
197	L	97	Very high	95.9	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	28%	0.278	C	S	.	.			trans	-102	152.7	-178.7	-61.4	178.2	0	0	0	112.1	F150 L192 N193 F195 D201 L202 R204 L217	F150-L197 HydrophobicContact CB-CD1 4.47Å; F150-L197 HydrophobicContact CD1-CD1 4.3Å; F150-L197 HydrophobicContact CD2-CD1 3.84Å; F150-L197 HydrophobicContact CE1-CD1 4.49Å; F150-L197 HydrophobicContact CE2-CD1 4.06Å; F150-L197 HydrophobicContact CG-CD1 3.96Å; F150-L197 HydrophobicContact CZ-CD1 4.38Å; L192-L197 CarbonylContact C-O 3.38Å; L192-L197 HydrophobicContact CB-CB 4.36Å; L192-L197 PolarHBondContact O-N 2.95Å; N193-L197 PolarHBondContact OD1-O 3.48Å; F195-L197 VanDerWaalsContact C-N 3.26Å; F195-L197 HydrophobicContact CB-CD1 4.09Å; F195-L197 HydrophobicContact CB-CG 4Å; F195-L197 PolarHBondContact O-N 3.41Å; L197-D201 HydrophobicContact CD2-CB 4.18Å; L197-L202 HydrophobicContact CD1-CD2 4.23Å; L197-R204 HydrophobicContact CD1-CB 3.87Å; L197-R204 HydrophobicContact CD1-CG 4.11Å; L197-R204 HydrophobicContact CD2-CG 3.97Å; L197-L217 HydrophobicContact CD1-CD2 3.94Å; L197-L217 HydrophobicContact CD2-CD1 3.91Å; L197-L217 HydrophobicContact CD2-CD2 4.34Å; L197-L217 HydrophobicContact CG-CD1 4.42Å; L197-L217 HydrophobicContact CG-CD2 4.37Å
198	K	94.9	Very high	96.1	Very high	141 Å²	141	49.5 Å²	49.5	61%	0.613	26%	0.258	S	S	*	.			trans	-114.2	163.2	165.3	-61.5	172.5	-175	171.1	0	109.6	T200 D201	K198-T200 PolarHBondContact O-N 3.44Å; K198-T200 VanDerWaalsContact O-N 3.09Å; K198-D201 WeakPolarHBondContact CB-OD2 3.17Å; K198-D201 PolarHBondContact N-OD2 2.78Å; K198-D201 WeakPolarHBondContact O-CB 3.15Å; K198-D201 PolarHBondContact O-N 2.95Å
199	S	92.2	Very high	96.2	Very high	35 Å²	35	50.2 Å²	50.2	25%	0.245	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.7	-23.6	177.7	-51	0	0	0	0	113.6	N152 G183 D201	N152-S199 PolarHBondContact ND2-O 2.79Å; G183-S199 WeakPolarHBondContact O-CB 3.33Å; G183-S199 PolarHBondContact O-OG 3.07Å; S199-D201 VanDerWaalsContact C-N 3.33Å
200	T	93.2	Very high	96.2	Very high	121 Å²	121	49.8 Å²	49.8	74%	0.742	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-76.5	-17.2	176.3	49.7	0	0	0	0	113.9	K198	K198-T200 PolarHBondContact O-N 3.44Å; K198-T200 VanDerWaalsContact O-N 3.09Å
201	D	95.3	Very high	96.2	Very high	70 Å²	70	47 Å²	47	37%	0.374	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-86.4	-3.3	-178.6	-52.4	-30.8	0	0	0	111.6	L197 K198 S199 R204	L197-D201 HydrophobicContact CD2-CB 4.18Å; K198-D201 WeakPolarHBondContact CB-OD2 3.17Å; K198-D201 PolarHBondContact N-OD2 2.78Å; K198-D201 WeakPolarHBondContact O-CB 3.15Å; K198-D201 PolarHBondContact O-N 2.95Å; S199-D201 VanDerWaalsContact C-N 3.33Å; D201-R204 VanDerWaalsContact O-CG 3.28Å; D201-R204 WeakPolarHBondContact O-CG 3.46Å
202	L	95.9	Very high	96.2	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.12	26%	0.264	C	S	.	.			trans	-86.5	143.9	-172.2	-55.1	-166.8	0	0	0	111.7	F150 L192 L197 R204	F150-L202 HydrophobicContact CB-CD1 4.16Å; F150-L202 HydrophobicContact CB-CD2 3.42Å; F150-L202 VanDerWaalsContact CB-CD2 3.42Å; F150-L202 HydrophobicContact CB-CG 4.39Å; F150-L202 HydrophobicContact CG-CD2 4.35Å; L192-L202 HydrophobicContact CD2-CD1 4.15Å; L197-L202 HydrophobicContact CD1-CD2 4.23Å; L202-R204 HydrophobicContact CD2-CB 4.44Å; L202-R204 HydrophobicContact CD2-CG 4.4Å
203	P	97.3	Very high	96.1	Very high	45 Å²	45	52.4 Å²	52.4	29%	0.292	29%	0.285	S	S	.	.	S	Bend	cis	-85.1	151.6	11.7	33.2	-37.2	0	0	0	115.6	F150 A151 E157 L161 I223	F150-P203 CarbonylContact O-C 3.58Å; F150-P203 WeakPolarHBondContact O-CA 3.28Å; A151-P203 HydrophobicContact CB-CB 4.42Å; E157-P203 HydrophobicContact CB-CB 4.43Å; E157-P203 HydrophobicContact CB-CG 3.99Å; E157-P203 HydrophobicContact CG-CG 4.17Å; L161-P203 HydrophobicContact CD1-CB 3.35Å; L161-P203 HydrophobicContact CD1-CG 4.11Å; P203-I223 HydrophobicContact CB-CD1 4.27Å; P203-I223 HydrophobicContact CG-CD1 4.33Å
204	R	97.9	Very high	96.1	Very high	44 Å²	44	49.1 Å²	49.1	17%	0.166	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.3	172	-67.4	-60.4	-61	-83.8	7.9	111.6	F150 L197 D201 L202 L217 L218	F150-R204 HydrophobicContact CB-CB 4.41Å; F150-R204 HydrophobicContact CD2-CB 4.37Å; F150-R204 PolarHBondContact N-O 3.09Å; F150-R204 PolarHBondContact O-N 2.8Å; L197-R204 HydrophobicContact CD1-CB 3.87Å; L197-R204 HydrophobicContact CD1-CG 4.11Å; L197-R204 HydrophobicContact CD2-CG 3.97Å; D201-R204 VanDerWaalsContact O-CG 3.28Å; D201-R204 WeakPolarHBondContact O-CG 3.46Å; L202-R204 HydrophobicContact CD2-CB 4.44Å; L202-R204 HydrophobicContact CD2-CG 4.4Å; R204-L217 HydrophobicContact CB-CD2 4.46Å; R204-L218 PolarHBondContact NH2-O 3.42Å
205	V	98.4	Very high	96.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.1	168.5	173.8	0	0	0	0	108.5	L147 V148 L149 L165 L218 I223 V228	L147-V205 HydrophobicContact CD1-CG1 3.76Å; L147-V205 HydrophobicContact CG-CG1 4.13Å; V148-V205 CarbonylContact O-C 3.4Å; V148-V205 WeakPolarHBondContact O-CA 3.43Å; L149-V205 HydrophobicContact CG-CG2 4.47Å; L165-V205 HydrophobicContact CD1-CG2 3.94Å; V205-L218 HydrophobicContact CB-CB 4.17Å; V205-L218 HydrophobicContact CB-CD2 4.32Å; V205-L218 WeakPolarHBondContact O-CB 3.46Å; V205-L218 PolarHBondContact O-N 3.47Å; V205-I223 HydrophobicContact CG2-CD1 4.29Å; V205-I223 HydrophobicContact CG2-CG2 3.64Å; V205-V228 HydrophobicContact CG1-CG2 4.37Å; V205-V228 HydrophobicContact CG2-CG2 4.48Å
206	G	98.3	Very high	96.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	171.2	174	0	0	0	0	0	112.1	L147 V148 W216	L147-G206 CarbonylContact C-O 3.58Å; V148-G206 PolarHBondContact N-O 3.24Å; V148-G206 PolarHBondContact O-N 2.94Å; G206-W216 CarbonylContact C-O 3.55Å; G206-W216 WeakPolarHBondContact CA-O 3.02Å
207	L	98.6	Very high	96.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.9	170.8	-80.7	167.9	0	0	0	108.6	T145 H146 L147 F176 F195 K215 W216 F231 F235 L240	T145-L207 HydrophobicContact CG2-CD2 4.24Å; H146-L207 CarbonylContact O-C 3.59Å; H146-L207 WeakPolarHBondContact O-CA 3.13Å; L147-L207 HydrophobicContact CB-CD2 4.14Å; L147-L207 HydrophobicContact CD1-CD2 3.59Å; L147-L207 HydrophobicContact CD1-CG 3.84Å; L147-L207 HydrophobicContact CG-CD2 4.48Å; F176-L207 HydrophobicContact CD1-CD2 3.62Å; F176-L207 HydrophobicContact CE1-CD2 3.46Å; F176-L207 VanDerWaalsContact CE1-CD2 3.46Å; F195-L207 WeakPolarHBondContact CE1-O 3.33Å; L207-K215 CarbonylContact O-C 3.57Å; L207-K215 WeakPolarHBondContact O-CA 3.45Å; L207-W216 HydrophobicContact CB-CE3 4.21Å; L207-W216 PolarHBondContact N-O 3.47Å; L207-W216 PolarHBondContact O-N 3.35Å; L207-F231 HydrophobicContact CB-CE1 4.03Å; L207-F231 HydrophobicContact CB-CZ 4.18Å; L207-F231 HydrophobicContact CD1-CD1 3.78Å; L207-F231 HydrophobicContact CD1-CD2 4.48Å; L207-F231 HydrophobicContact CD1-CE1 3.55Å; L207-F231 HydrophobicContact CD1-CE2 4.28Å; L207-F231 HydrophobicContact CD1-CG 4.25Å; L207-F231 HydrophobicContact CD1-CZ 3.83Å; L207-F231 HydrophobicContact CG-CD1 4.02Å; L207-F231 HydrophobicContact CG-CE1 3.52Å; L207-F231 HydrophobicContact CG-CZ 4.06Å; L207-F235 HydrophobicContact CD1-CB 3.62Å; L207-F235 HydrophobicContact CD1-CD2 4.37Å; L207-F235 HydrophobicContact CD1-CG 4.08Å; L207-L240 HydrophobicContact CD1-CD1 3.81Å
208	Y	98.4	Very high	96.3	Very high	29 Å²	29	46 Å²	46	11%	0.114	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.9	167.8	171	-118.8	0	0	0	108.7	F139 T145 H146 Y194 K210 D213	F139-Y208 AromaticContact CE1-CE1 3.96Å; F139-Y208 HydrophobicContact CE1-CE1 3.96Å; F139-Y208 HydrophobicContact CZ-CE1 4.46Å; T145-Y208 CarbonylContact C-O 3.56Å; T145-Y208 WeakPolarHBondContact CA-O 3.2Å; T145-Y208 WeakPolarHBondContact CG2-O 3.35Å; H146-Y208 PolarHBondContact N-O 3.23Å; H146-Y208 AromaticContact ND1-CD1 3.8Å; H146-Y208 PolarHBondContact O-N 3.2Å; Y194-Y208 AromaticContact CE1-CD2 3.82Å; Y194-Y208 HydrophobicContact CE1-CD2 3.82Å; Y194-Y208 AromaticContact CE1-CE2 3.74Å; Y194-Y208 HydrophobicContact CE1-CE2 3.74Å; Y208-K210 HydrophobicContact CE1-CB 3.89Å; Y208-K210 HydrophobicContact CE1-CG 4.49Å; Y208-D213 WeakPolarHBondContact CE2-OD1 3.4Å; Y208-D213 PolarHBondContact OH-OD1 2.97Å
209	D	97.6	Very high	96.4	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.118	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.6	171.4	178.5	28.4	0	0	0	109.4	D211 S212 D213 M214 W216 F235	D209-D211 VanDerWaalsContact C-N 3.3Å; D209-D211 PolarHBondContact O-N 3.31Å; D209-D211 PolarHBondContact OD1-N 3.32Å; D209-S212 WeakPolarHBondContact OD2-CB 3.33Å; D209-S212 PolarHBondContact OD2-N 3.01Å; D209-S212 PolarHBondContact OD2-OG 3.39Å; D209-D213 VanDerWaalsContact O-CA 3.26Å; D209-D213 WeakPolarHBondContact O-CA 3.27Å; D209-D213 PolarHBondContact O-N 2.85Å; D209-M214 PolarHBondContact N-O 2.98Å; D209-M214 PolarHBondContact O-N 2.85Å; D209-W216 HydrophobicContact CB-CH2 4.49Å; D209-W216 HydrophobicContact CB-CZ3 4.05Å; D209-F235 HydrophobicContact CB-CE2 3.86Å; D209-F235 HydrophobicContact CB-CZ 3.85Å
210	K	95.5	Very high	96.4	Very high	68 Å²	68	49.5 Å²	49.5	30%	0.296	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-32.6	-177.6	177.4	-176.4	166.4	-173.2	0	112.4	F139 K144 Y208	F139-K210 HydrophobicContact CD1-CD 4.05Å; F139-K210 PolarHBondContact O-NZ 2.66Å; K144-K210 HydrophobicContact CB-CB 4.18Å; K144-K210 HydrophobicContact CD-CD 4.15Å; K144-K210 WeakPolarHBondContact O-CB 3.42Å; K144-K210 PolarHBondContact O-N 3.13Å; Y208-K210 HydrophobicContact CE1-CB 3.89Å; Y208-K210 HydrophobicContact CE1-CG 4.49Å
211	D	93.5	Very high	96.4	Very high	123 Å²	123	46.7 Å²	46.7	66%	0.658	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-40.9	-174.9	-76.6	-16.9	0	0	0	112.1	D209	D209-D211 VanDerWaalsContact C-N 3.3Å; D209-D211 PolarHBondContact O-N 3.31Å; D209-D211 PolarHBondContact OD1-N 3.32Å
212	S	94.1	Very high	96.4	Very high	55 Å²	55	50.1 Å²	50.1	39%	0.385	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-7.5	177.5	63.1	0	0	0	0	114	D209 M214	D209-S212 WeakPolarHBondContact OD2-CB 3.33Å; D209-S212 PolarHBondContact OD2-N 3.01Å; D209-S212 PolarHBondContact OD2-OG 3.39Å; S212-M214 PolarHBondContact O-N 3.02Å; S212-M214 WeakPolarHBondContact OG-CB 3.37Å; S212-M214 VanDerWaalsContact OG-CG 3.27Å; S212-M214 WeakPolarHBondContact OG-CG 3.19Å; S212-M214 PolarHBondContact OG-N 3.49Å
213	D	94.9	Very high	96.4	Very high	82 Å²	82	50 Å²	50	44%	0.439	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	34.1	-167.4	-159.2	53.4	0	0	0	113	Y194 Y208 D209	Y194-D213 PolarHBondContact OH-O 3.23Å; Y194-D213 VanDerWaalsContact OH-O 3.1Å; Y194-D213 PolarHBondContact OH-OD1 3.27Å; Y194-D213 PolarHBondContact OH-OD2 2.78Å; Y208-D213 WeakPolarHBondContact CE2-OD1 3.4Å; Y208-D213 PolarHBondContact OH-OD1 2.97Å; D209-D213 VanDerWaalsContact O-CA 3.26Å; D209-D213 WeakPolarHBondContact O-CA 3.27Å; D209-D213 PolarHBondContact O-N 2.85Å
214	M	95.8	Very high	96.4	Very high	36 Å²	36	48.9 Å²	48.9	18%	0.177	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	154.2	179.7	-63.1	-176.8	74.8	0	0	111.5	D209 S212 W216 Q245	D209-M214 PolarHBondContact N-O 2.98Å; D209-M214 PolarHBondContact O-N 2.85Å; S212-M214 PolarHBondContact O-N 3.02Å; S212-M214 WeakPolarHBondContact OG-CB 3.37Å; S212-M214 VanDerWaalsContact OG-CG 3.27Å; S212-M214 WeakPolarHBondContact OG-CG 3.19Å; S212-M214 PolarHBondContact OG-N 3.49Å; M214-W216 HydrophobicContact CB-CH2 3.27Å; M214-W216 HydrophobicContact CB-CZ2 3.68Å; M214-W216 HydrophobicContact CB-CZ3 3.77Å; M214-W216 HydrophobicContact CE-CH2 4.23Å; M214-W216 HydrophobicContact CE-CZ2 3.52Å; M214-W216 HydrophobicContact CG-CH2 4.24Å; M214-W216 HydrophobicContact CG-CZ2 4.42Å; M214-W216 HydrophobicContact SD-CH2 4.08Å; M214-W216 HydrophobicContact SD-CZ2 3.95Å; M214-Q245 HydrophobicContact CE-CG 4.03Å
215	K	97.3	Very high	96.4	Very high	22 Å²	22	48.8 Å²	48.8	10%	0.096	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	143.7	-176.5	58.7	-167.7	159.6	-53.6	0	112.1	Y194 F195 L207 Q245 A246	Y194-K215 HydrophobicContact CD1-CD 3.69Å; Y194-K215 HydrophobicContact CE1-CD 3.5Å; Y194-K215 HydrophobicContact CE2-CD 4.38Å; Y194-K215 HydrophobicContact CG-CD 4.2Å; Y194-K215 WeakPolarHBondContact O-CD 3.26Å; Y194-K215 WeakPolarHBondContact O-CE 3.32Å; F195-K215 HydrophobicContact CD1-CB 4.23Å; F195-K215 HydrophobicContact CE1-CB 3.86Å; F195-K215 HydrophobicContact CZ-CB 4.15Å; L207-K215 CarbonylContact O-C 3.57Å; L207-K215 WeakPolarHBondContact O-CA 3.45Å; K215-Q245 CarbonylContact O-C 3.57Å; K215-Q245 VanDerWaalsContact O-CA 3.25Å; K215-Q245 WeakPolarHBondContact O-CA 3.36Å; K215-Q245 WeakPolarHBondContact O-CB 3.07Å; K215-A246 WeakPolarHBondContact CE-O 3.32Å; K215-A246 HydrophobicContact CG-CB 4.02Å; K215-A246 PolarHBondContact O-N 3.08Å
216	W	98.1	Very high	96.4	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.015	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.1	178.7	-58.1	-90.2	0	0	0	109.7	G206 L207 D209 M214 F231 F235 L240 V243	G206-W216 CarbonylContact C-O 3.55Å; G206-W216 WeakPolarHBondContact CA-O 3.02Å; L207-W216 HydrophobicContact CB-CE3 4.21Å; L207-W216 PolarHBondContact N-O 3.47Å; L207-W216 PolarHBondContact O-N 3.35Å; D209-W216 HydrophobicContact CB-CH2 4.49Å; D209-W216 HydrophobicContact CB-CZ3 4.05Å; M214-W216 HydrophobicContact CB-CH2 3.27Å; M214-W216 HydrophobicContact CB-CZ2 3.68Å; M214-W216 HydrophobicContact CB-CZ3 3.77Å; M214-W216 HydrophobicContact CE-CH2 4.23Å; M214-W216 HydrophobicContact CE-CZ2 3.52Å; M214-W216 HydrophobicContact CG-CH2 4.24Å; M214-W216 HydrophobicContact CG-CZ2 4.42Å; M214-W216 HydrophobicContact SD-CH2 4.08Å; M214-W216 HydrophobicContact SD-CZ2 3.95Å; W216-F231 HydrophobicContact CB-CE2 4.09Å; W216-F231 HydrophobicContact CB-CZ 3.73Å; W216-F235 HydrophobicContact CE3-CD2 4.29Å; W216-F235 HydrophobicContact CE3-CE2 4.43Å; W216-F235 HydrophobicContact CH2-CD2 4.23Å; W216-F235 AromaticContact CH2-CE2 3.89Å; W216-F235 HydrophobicContact CH2-CE2 3.89Å; W216-F235 AromaticContact CZ3-CD2 3.82Å; W216-F235 HydrophobicContact CZ3-CD2 3.82Å; W216-F235 AromaticContact CZ3-CE2 3.57Å; W216-F235 HydrophobicContact CZ3-CE2 3.57Å; W216-L240 HydrophobicContact CB-CD1 4.22Å; W216-L240 HydrophobicContact CD2-CB 4.03Å; W216-L240 HydrophobicContact CD2-CD1 4.16Å; W216-L240 HydrophobicContact CE3-CD1 4.45Å; W216-L240 HydrophobicContact CG-CB 4.21Å; W216-L240 HydrophobicContact CG-CD1 4.07Å; W216-L240 HydrophobicContact CZ2-CB 4.15Å; W216-L240 PolarHBondContact NE1-O 3.17Å; W216-V243 PolarHBondContact NE1-O 2.58Å
217	L	98.1	Very high	96.4	Very high	38 Å²	38	58.8 Å²	58.8	20%	0.199	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.6	169.2	-74.1	165.7	0	0	0	109	F195 L197 R204 A246	F195-L217 HydrophobicContact CD1-CD2 3.95Å; F195-L217 HydrophobicContact CD1-CG 4.33Å; L197-L217 HydrophobicContact CD1-CD2 3.94Å; L197-L217 HydrophobicContact CD2-CD1 3.91Å; L197-L217 HydrophobicContact CD2-CD2 4.34Å; L197-L217 HydrophobicContact CG-CD1 4.42Å; L197-L217 HydrophobicContact CG-CD2 4.37Å; R204-L217 HydrophobicContact CB-CD2 4.46Å; L217-A246 HydrophobicContact CB-CB 4.39Å; L217-A246 HydrophobicContact CD1-CB 3.83Å; L217-A246 HydrophobicContact CG-CB 3.61Å
218	L	98	Very high	96.4	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-54.2	128.7	163.4	-175	72.6	0	0	0	107.6	R204 V205 I223 V228 F231	R204-L218 PolarHBondContact NH2-O 3.42Å; V205-L218 HydrophobicContact CB-CB 4.17Å; V205-L218 HydrophobicContact CB-CD2 4.32Å; V205-L218 WeakPolarHBondContact O-CB 3.46Å; V205-L218 PolarHBondContact O-N 3.47Å; L218-I223 HydrophobicContact CD2-CG1 4.25Å; L218-I223 HydrophobicContact CD2-CG2 4.21Å; L218-V228 HydrophobicContact CD2-CG2 4.04Å; L218-F231 HydrophobicContact CB-CD1 4.26Å; L218-F231 HydrophobicContact CB-CE1 4.3Å; L218-F231 HydrophobicContact CD1-CB 3.54Å; L218-F231 HydrophobicContact CD1-CD1 3.97Å; L218-F231 HydrophobicContact CD1-CD2 4.29Å; L218-F231 HydrophobicContact CD1-CG 3.7Å
219	P	95.5	Very high	96.4	Very high	84 Å²	84	60.7 Å²	60.7	55%	0.545	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-53.7	152.2	176.8	-27.6	35.5	0	0	0	111.9	R227	P219-R227 PolarHBondContact O-NH2 2.95Å
220	E	93.3	Very high	96.5	Very high	167 Å²	167	64.4 Å²	64.4	78%	0.78	34%	0.34	S	S	*	.	S	Bend	trans	-55.2	157.8	-176.7	-65.5	-172.4	170.1	0	0	113.5	R227	E220-R227 PolarHBondContact O-NH1 3.19Å; E220-R227 PolarHBondContact O-NH2 3.21Å
221	G	93.4	Very high	96.6	Very high	61 Å²	61	61.9 Å²	61.9	63%	0.629	33%	0.329	S	S	*	.	S	Bend	trans	116	-168.8	-177.2	0	0	0	0	0	113
222	E	94.6	Very high	96.8	Very high	143 Å²	143	56 Å²	56	67%	0.668	30%	0.298	S	S	*	.			trans	-62.4	133.8	-178.2	-176	-177.6	-174.8	0	0	113.2	S224 R227	E222-S224 PolarHBondContact O-N 2.87Å; E222-R227 VanDerWaalsContact N-NH1 3.14Å; E222-R227 WeakPolarHBondContact O-CD 3.49Å; E222-R227 PolarHBondContact O-NH1 3.15Å
223	I	96.8	Very high	97.1	Very high	21 Å²	21	56.6 Å²	56.6	11%	0.108	30%	0.295	C	S	.	.			trans	-86.9	85	175.6	-54.6	168	0	0	0	109.3	L161 R164 L165 P203 V205 L218 V228	L161-I223 HydrophobicContact CD1-CD1 4.46Å; L161-I223 HydrophobicContact CD2-CB 4.03Å; L161-I223 HydrophobicContact CD2-CD1 4.2Å; L161-I223 HydrophobicContact CD2-CG2 3.56Å; R164-I223 PolarHBondContact NH1-O 2.94Å; L165-I223 HydrophobicContact CD1-CG2 4.49Å; P203-I223 HydrophobicContact CB-CD1 4.27Å; P203-I223 HydrophobicContact CG-CD1 4.33Å; V205-I223 HydrophobicContact CG2-CD1 4.29Å; V205-I223 HydrophobicContact CG2-CG2 3.64Å; L218-I223 HydrophobicContact CD2-CG1 4.25Å; L218-I223 HydrophobicContact CD2-CG2 4.21Å; I223-V228 HydrophobicContact CG2-CG2 3.77Å
224	S	97.1	Very high	97.2	Very high	21 Å²	21	54.2 Å²	54.2	15%	0.147	28%	0.284	C	S	.	.			trans	-95.4	159.7	175.7	76	0	0	0	0	112.3	E222 E226 R227 V228	E222-S224 PolarHBondContact O-N 2.87Å; S224-E226 VanDerWaalsContact C-N 3.27Å; S224-E226 PolarHBondContact O-N 2.96Å; S224-R227 PolarHBondContact O-N 2.86Å; S224-R227 WeakPolarHBondContact OG-CG 3.37Å; S224-R227 PolarHBondContact OG-N 2.81Å; S224-V228 WeakPolarHBondContact O-CG2 3.28Å; S224-V228 PolarHBondContact O-N 3.08Å
225	T	97.9	Very high	97.3	Very high	42 Å²	42	54 Å²	54	26%	0.258	28%	0.282	S	S	.	.	H	α-helix	trans	-56.8	-41.3	176	-57.2	0	0	0	0	111.9	R164 L168 R229	R164-T225 WeakPolarHBondContact CG-OG1 3.38Å; L168-T225 HydrophobicContact CB-CG2 4.21Å; L168-T225 HydrophobicContact CD1-CG2 3.9Å; L168-T225 HydrophobicContact CD2-CG2 4.2Å; L168-T225 HydrophobicContact CG-CG2 4.33Å; T225-R229 VanDerWaalsContact O-CB 3.28Å; T225-R229 WeakPolarHBondContact O-CB 3.4Å; T225-R229 PolarHBondContact O-N 2.89Å
226	E	98.2	Very high	97.3	Very high	134 Å²	134	56.5 Å²	56.5	63%	0.626	30%	0.296	S	S	*	.	H	α-helix	trans	-64.3	-49.1	179.2	-68.8	149.9	-178.1	0	0	111.6	S224 V228 R229 D230	S224-E226 VanDerWaalsContact C-N 3.27Å; S224-E226 PolarHBondContact O-N 2.96Å; E226-V228 VanDerWaalsContact C-N 3.31Å; E226-V228 PolarHBondContact O-N 3.26Å; E226-R229 WeakPolarHBondContact O-CB 3.39Å; E226-R229 PolarHBondContact O-N 2.85Å; E226-D230 VanDerWaalsContact O-CG 3.3Å; E226-D230 PolarHBondContact O-N 2.94Å
227	R	98.3	Very high	97.3	Very high	76 Å²	76	63.1 Å²	63.1	29%	0.287	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-38.9	179.2	-71.1	-174.3	68.6	-159.8	5.2	112.4	P219 E220 E222 S224 F231	P219-R227 PolarHBondContact O-NH2 2.95Å; E220-R227 PolarHBondContact O-NH1 3.19Å; E220-R227 PolarHBondContact O-NH2 3.21Å; E222-R227 VanDerWaalsContact N-NH1 3.14Å; E222-R227 WeakPolarHBondContact O-CD 3.49Å; E222-R227 PolarHBondContact O-NH1 3.15Å; S224-R227 PolarHBondContact O-N 2.86Å; S224-R227 WeakPolarHBondContact OG-CG 3.37Å; S224-R227 PolarHBondContact OG-N 2.81Å; R227-F231 WeakPolarHBondContact O-CB 3.27Å; R227-F231 PolarHBondContact O-N 2.98Å
228	V	98.6	Very high	97.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.9	-41.3	176.5	174.7	0	0	0	0	110.8	L147 L165 L168 V205 L218 I223 S224 E226 F231 C232	L147-V228 HydrophobicContact CD1-CG1 4.37Å; L147-V228 HydrophobicContact CD2-CG1 3.62Å; L165-V228 HydrophobicContact CD1-CG1 4.41Å; L165-V228 HydrophobicContact CD1-CG2 4.24Å; L165-V228 HydrophobicContact CD2-CB 3.92Å; L165-V228 HydrophobicContact CD2-CG1 3.92Å; L165-V228 HydrophobicContact CD2-CG2 3.89Å; L168-V228 HydrophobicContact CD2-CB 4.15Å; L168-V228 HydrophobicContact CD2-CG1 3.8Å; V205-V228 HydrophobicContact CG1-CG2 4.37Å; V205-V228 HydrophobicContact CG2-CG2 4.48Å; L218-V228 HydrophobicContact CD2-CG2 4.04Å; I223-V228 HydrophobicContact CG2-CG2 3.77Å; S224-V228 WeakPolarHBondContact O-CG2 3.28Å; S224-V228 PolarHBondContact O-N 3.08Å; E226-V228 VanDerWaalsContact C-N 3.31Å; E226-V228 PolarHBondContact O-N 3.26Å; V228-F231 WeakPolarHBondContact O-CB 3.39Å; V228-F231 PolarHBondContact O-N 3.27Å; V228-C232 PolarHBondContact O-N 3.46Å; V228-C232 PolarHBondContact O-SG 3.33Å; V228-C232 VanDerWaalsContact O-SG 3.35Å
229	R	98.6	Very high	97.1	Very high	68 Å²	68	66.6 Å²	66.6	26%	0.257	35%	0.347	S	S	.	.	H	α-helix	trans	-59.1	-49.3	174.1	-174.8	-176.1	-66.4	107.4	-4.4	111	L168 E171 F172 T225 E226 F231 C232 Q233	L168-R229 HydrophobicContact CD1-CB 4.25Å; L168-R229 HydrophobicContact CD1-CG 4.47Å; L168-R229 HydrophobicContact CD2-CB 4.42Å; E171-R229 IonicContact OE1-CZ 3.75Å; E171-R229 IonicContact OE1-NE 2.79Å; E171-R229 IonicContact OE1-NH2 3.83Å; E171-R229 PolarHBondContact OE1-NH2 2.72Å; E171-R229 IonicContact OE2-CZ 3.14Å; E171-R229 IonicContact OE2-NE 3.79Å; E171-R229 PolarHBondContact OE2-NE 2.86Å; E171-R229 IonicContact OE2-NH2 2.74Å; E171-R229 PolarHBondContact OE2-NH2 3.27Å; F172-R229 HydrophobicContact CE2-CG 4.32Å; F172-R229 HydrophobicContact CZ-CG 4.03Å; T225-R229 VanDerWaalsContact O-CB 3.28Å; T225-R229 WeakPolarHBondContact O-CB 3.4Å; T225-R229 PolarHBondContact O-N 2.89Å; E226-R229 WeakPolarHBondContact O-CB 3.39Å; E226-R229 PolarHBondContact O-N 2.85Å; R229-F231 VanDerWaalsContact C-N 3.29Å; R229-F231 PolarHBondContact O-N 2.73Å; R229-C232 WeakPolarHBondContact O-CB 3.15Å; R229-C232 PolarHBondContact O-N 3.23Å; R229-Q233 HydrophobicContact CG-CG 4.47Å; R229-Q233 VanDerWaalsContact O-CG 3.29Å; R229-Q233 WeakPolarHBondContact O-CG 3.35Å; R229-Q233 PolarHBondContact O-N 2.94Å
230	D	98.4	Very high	97	Very high	100 Å²	100	63.2 Å²	63.2	54%	0.535	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-42.1	178.6	-70	-17.7	0	0	0	111.4	E226 C232 Q233 S234	E226-D230 VanDerWaalsContact O-CG 3.3Å; E226-D230 PolarHBondContact O-N 2.94Å; D230-C232 PolarHBondContact O-N 3.35Å; D230-Q233 PolarHBondContact O-N 3.1Å; D230-Q233 VanDerWaalsContact O-N 3.16Å; D230-S234 PolarHBondContact O-N 3.2Å; D230-S234 PolarHBondContact O-OG 3.38Å
231	F	98.4	Very high	96.8	Very high	16 Å²	16	62.3 Å²	62.3	7%	0.07	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-45.5	176.1	-176.2	-128.1	0	0	0	112.7	L147 L207 W216 L218 R227 V228 R229 Q233 S234 F235 L240	L147-F231 HydrophobicContact CD1-CD1 4.39Å; L207-F231 HydrophobicContact CB-CE1 4.03Å; L207-F231 HydrophobicContact CB-CZ 4.18Å; L207-F231 HydrophobicContact CD1-CD1 3.78Å; L207-F231 HydrophobicContact CD1-CD2 4.48Å; L207-F231 HydrophobicContact CD1-CE1 3.55Å; L207-F231 HydrophobicContact CD1-CE2 4.28Å; L207-F231 HydrophobicContact CD1-CG 4.25Å; L207-F231 HydrophobicContact CD1-CZ 3.83Å; L207-F231 HydrophobicContact CG-CD1 4.02Å; L207-F231 HydrophobicContact CG-CE1 3.52Å; L207-F231 HydrophobicContact CG-CZ 4.06Å; W216-F231 HydrophobicContact CB-CE2 4.09Å; W216-F231 HydrophobicContact CB-CZ 3.73Å; L218-F231 HydrophobicContact CB-CD1 4.26Å; L218-F231 HydrophobicContact CB-CE1 4.3Å; L218-F231 HydrophobicContact CD1-CB 3.54Å; L218-F231 HydrophobicContact CD1-CD1 3.97Å; L218-F231 HydrophobicContact CD1-CD2 4.29Å; L218-F231 HydrophobicContact CD1-CG 3.7Å; R227-F231 WeakPolarHBondContact O-CB 3.27Å; R227-F231 PolarHBondContact O-N 2.98Å; V228-F231 WeakPolarHBondContact O-CB 3.39Å; V228-F231 PolarHBondContact O-N 3.27Å; R229-F231 VanDerWaalsContact C-N 3.29Å; R229-F231 PolarHBondContact O-N 2.73Å; F231-Q233 VanDerWaalsContact C-N 3.34Å; F231-Q233 PolarHBondContact O-N 3.23Å; F231-S234 PolarHBondContact O-N 2.93Å; F231-F235 PolarHBondContact O-N 2.89Å; F231-F235 VanDerWaalsContact O-N 3.16Å; F231-L240 HydrophobicContact CD2-CD1 3.99Å; F231-L240 HydrophobicContact CD2-CD2 4.37Å; F231-L240 HydrophobicContact CE2-CD1 3.52Å; F231-L240 HydrophobicContact CE2-CD2 4.18Å; F231-L240 HydrophobicContact CZ-CD1 4.11Å
232	C	98.5	Very high	96.6	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-42	172.5	-66.8	0	0	0	0	111.9	F172 F176 V228 R229 D230 F235 L236	F172-C232 HydrophobicContact CD1-CB 4.26Å; F172-C232 HydrophobicContact CE1-CB 3.49Å; F172-C232 VanDerWaalsContact CE1-CB 3.49Å; F172-C232 HydrophobicContact CE2-CB 4.17Å; F172-C232 HydrophobicContact CZ-CB 3.43Å; F172-C232 VanDerWaalsContact CZ-CB 3.43Å; F176-C232 HydrophobicContact CE2-CB 3.86Å; F176-C232 HydrophobicContact CZ-CB 3.88Å; V228-C232 PolarHBondContact O-N 3.46Å; V228-C232 PolarHBondContact O-SG 3.33Å; V228-C232 VanDerWaalsContact O-SG 3.35Å; R229-C232 WeakPolarHBondContact O-CB 3.15Å; R229-C232 PolarHBondContact O-N 3.23Å; D230-C232 PolarHBondContact O-N 3.35Å; C232-F235 WeakPolarHBondContact O-CB 3.39Å; C232-F235 PolarHBondContact O-N 3.16Å; C232-L236 WeakPolarHBondContact O-CG 3.25Å; C232-L236 PolarHBondContact O-N 2.99Å
233	Q	98.4	Very high	96.4	Very high	67 Å²	67	63.9 Å²	63.9	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-66.5	-39.5	179.5	-67.4	-61.2	-22.3	0	0	112.3	R229 D230 F231 F235 L236 K237	R229-Q233 HydrophobicContact CG-CG 4.47Å; R229-Q233 VanDerWaalsContact O-CG 3.29Å; R229-Q233 WeakPolarHBondContact O-CG 3.35Å; R229-Q233 PolarHBondContact O-N 2.94Å; D230-Q233 PolarHBondContact O-N 3.1Å; D230-Q233 VanDerWaalsContact O-N 3.16Å; F231-Q233 VanDerWaalsContact C-N 3.34Å; F231-Q233 PolarHBondContact O-N 3.23Å; Q233-F235 VanDerWaalsContact C-N 3.29Å; Q233-F235 PolarHBondContact O-N 3.5Å; Q233-L236 PolarHBondContact O-N 3.47Å; Q233-K237 VanDerWaalsContact O-CG 3.3Å; Q233-K237 WeakPolarHBondContact O-CG 3.12Å; Q233-K237 PolarHBondContact O-N 3.46Å
234	S	98	Very high	96	Very high	31 Å²	31	68.9 Å²	68.9	22%	0.217	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-38.4	173.4	-76.3	0	0	0	0	112.1	D230 F231 K237 G238 E239	D230-S234 PolarHBondContact O-N 3.2Å; D230-S234 PolarHBondContact O-OG 3.38Å; F231-S234 PolarHBondContact O-N 2.93Å; S234-K237 PolarHBondContact O-N 3.27Å; S234-G238 PolarHBondContact O-N 2.98Å; S234-E239 WeakPolarHBondContact CA-OE2 3.39Å; S234-E239 VanDerWaalsContact CB-OE2 3.23Å; S234-E239 WeakPolarHBondContact CB-OE2 3.49Å; S234-E239 WeakPolarHBondContact O-CB 3.14Å; S234-E239 PolarHBondContact O-N 3.33Å; S234-E239 PolarHBondContact OG-OE2 2.87Å
235	F	97.8	Very high	95.8	Very high	33 Å²	33	69.7 Å²	69.7	15%	0.145	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-49.6	172.3	177.1	-93.9	0	0	0	112	T145 F176 L207 D209 W216 F231 C232 Q233 K237 G238 L240	T145-F235 HydrophobicContact CG2-CD1 4.11Å; T145-F235 HydrophobicContact CG2-CE1 3.5Å; T145-F235 HydrophobicContact CG2-CE2 4.31Å; T145-F235 HydrophobicContact CG2-CZ 3.62Å; F176-F235 AromaticContact CE1-CD1 3.56Å; F176-F235 HydrophobicContact CE1-CD1 3.56Å; F176-F235 HydrophobicContact CE1-CE1 4.09Å; F176-F235 HydrophobicContact CE1-CG 4.22Å; F176-F235 HydrophobicContact CZ-CB 4.39Å; F176-F235 AromaticContact CZ-CD1 3.65Å; F176-F235 HydrophobicContact CZ-CD1 3.65Å; F176-F235 HydrophobicContact CZ-CE1 4.43Å; F176-F235 HydrophobicContact CZ-CG 4.38Å; L207-F235 HydrophobicContact CD1-CB 3.62Å; L207-F235 HydrophobicContact CD1-CD2 4.37Å; L207-F235 HydrophobicContact CD1-CG 4.08Å; D209-F235 HydrophobicContact CB-CE2 3.86Å; D209-F235 HydrophobicContact CB-CZ 3.85Å; W216-F235 HydrophobicContact CE3-CD2 4.29Å; W216-F235 HydrophobicContact CE3-CE2 4.43Å; W216-F235 HydrophobicContact CH2-CD2 4.23Å; W216-F235 AromaticContact CH2-CE2 3.89Å; W216-F235 HydrophobicContact CH2-CE2 3.89Å; W216-F235 AromaticContact CZ3-CD2 3.82Å; W216-F235 HydrophobicContact CZ3-CD2 3.82Å; W216-F235 AromaticContact CZ3-CE2 3.57Å; W216-F235 HydrophobicContact CZ3-CE2 3.57Å; F231-F235 PolarHBondContact O-N 2.89Å; F231-F235 VanDerWaalsContact O-N 3.16Å; C232-F235 WeakPolarHBondContact O-CB 3.39Å; C232-F235 PolarHBondContact O-N 3.16Å; Q233-F235 VanDerWaalsContact C-N 3.29Å; Q233-F235 PolarHBondContact O-N 3.5Å; F235-K237 PolarHBondContact O-N 2.89Å; F235-G238 WeakPolarHBondContact O-CA 2.81Å; F235-G238 PolarHBondContact O-N 3.29Å; F235-L240 HydrophobicContact CB-CD1 3.77Å; F235-L240 HydrophobicContact CB-CG 4.25Å; F235-L240 HydrophobicContact CD2-CD1 4.28Å
236	L	97.6	Very high	95.3	Very high	74 Å²	74	68.1 Å²	68.1	39%	0.387	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-30.3	-179.8	-67.9	177.2	0	0	0	112.9	F172 K175 F176 C232 Q233 G238	F172-L236 HydrophobicContact CE1-CD1 4.32Å; K175-L236 HydrophobicContact CD-CD1 4.09Å; F176-L236 HydrophobicContact CE2-CD1 3.89Å; F176-L236 HydrophobicContact CE2-CD2 3.78Å; F176-L236 HydrophobicContact CE2-CG 3.77Å; F176-L236 HydrophobicContact CZ-CD1 4.39Å; F176-L236 HydrophobicContact CZ-CD2 3.8Å; F176-L236 HydrophobicContact CZ-CG 3.78Å; C232-L236 WeakPolarHBondContact O-CG 3.25Å; C232-L236 PolarHBondContact O-N 2.99Å; Q233-L236 PolarHBondContact O-N 3.47Å; L236-G238 VanDerWaalsContact C-N 3.28Å
237	K	97.3	Very high	94.6	Very high	142 Å²	142	64 Å²	64	62%	0.617	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.1	174.6	-67.3	171.8	-171.3	173	0	113.6	Q233 S234 F235 E239	Q233-K237 VanDerWaalsContact O-CG 3.3Å; Q233-K237 WeakPolarHBondContact O-CG 3.12Å; Q233-K237 PolarHBondContact O-N 3.46Å; S234-K237 PolarHBondContact O-N 3.27Å; F235-K237 PolarHBondContact O-N 2.89Å; K237-E239 VanDerWaalsContact C-N 3.28Å; K237-E239 HydrophobicContact CB-CG 3.84Å; K237-E239 WeakPolarHBondContact CD-OE1 3.48Å; K237-E239 PolarHBondContact O-N 3.48Å
238	G	96.3	Very high	93.6	Very high	24 Å²	24	64.5 Å²	64.5	25%	0.247	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	6.6	-177.2	0	0	0	0	0	114.6	S234 F235 L236 L240 K241	S234-G238 PolarHBondContact O-N 2.98Å; F235-G238 WeakPolarHBondContact O-CA 2.81Å; F235-G238 PolarHBondContact O-N 3.29Å; L236-G238 VanDerWaalsContact C-N 3.28Å; G238-L240 PolarHBondContact O-N 3.3Å; G238-K241 PolarHBondContact O-N 2.94Å
239	E	95.9	Very high	91.7	Very high	95 Å²	95	72.8 Å²	72.8	44%	0.444	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-67.3	-23.3	-175.5	-62.9	168.7	178.6	0	0	112.3	S234 K237 K241	S234-E239 WeakPolarHBondContact CA-OE2 3.39Å; S234-E239 VanDerWaalsContact CB-OE2 3.23Å; S234-E239 WeakPolarHBondContact CB-OE2 3.49Å; S234-E239 WeakPolarHBondContact O-CB 3.14Å; S234-E239 PolarHBondContact O-N 3.33Å; S234-E239 PolarHBondContact OG-OE2 2.87Å; K237-E239 VanDerWaalsContact C-N 3.28Å; K237-E239 HydrophobicContact CB-CG 3.84Å; K237-E239 WeakPolarHBondContact CD-OE1 3.48Å; K237-E239 PolarHBondContact O-N 3.48Å; E239-K241 VanDerWaalsContact C-N 3.32Å; E239-K241 PolarHBondContact O-N 2.98Å
240	L	93.9	Very high	89.6	Confident	13 Å²	13	74.3 Å²	74.3	7%	0.068	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-77	-14.8	178.8	-59.8	-168	0	0	0	113.7	L207 W216 F231 F235 G238 D242 V243	L207-L240 HydrophobicContact CD1-CD1 3.81Å; W216-L240 HydrophobicContact CB-CD1 4.22Å; W216-L240 HydrophobicContact CD2-CB 4.03Å; W216-L240 HydrophobicContact CD2-CD1 4.16Å; W216-L240 HydrophobicContact CE3-CD1 4.45Å; W216-L240 HydrophobicContact CG-CB 4.21Å; W216-L240 HydrophobicContact CG-CD1 4.07Å; W216-L240 HydrophobicContact CZ2-CB 4.15Å; W216-L240 PolarHBondContact NE1-O 3.17Å; F231-L240 HydrophobicContact CD2-CD1 3.99Å; F231-L240 HydrophobicContact CD2-CD2 4.37Å; F231-L240 HydrophobicContact CE2-CD1 3.52Å; F231-L240 HydrophobicContact CE2-CD2 4.18Å; F231-L240 HydrophobicContact CZ-CD1 4.11Å; F235-L240 HydrophobicContact CB-CD1 3.77Å; F235-L240 HydrophobicContact CB-CG 4.25Å; F235-L240 HydrophobicContact CD2-CD1 4.28Å; G238-L240 PolarHBondContact O-N 3.3Å; L240-D242 PolarHBondContact O-N 2.74Å; L240-V243 HydrophobicContact CD2-CG2 4.19Å; L240-V243 WeakPolarHBondContact O-CB 3.46Å; L240-V243 PolarHBondContact O-N 3.4Å
241	K	89.8	Confident	87.4	Confident	148 Å²	148	79.1 Å²	79.1	64%	0.643	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-61.4	-31	-175.8	-69.2	-176.2	178.7	-177.8	0	113.4	G238 E239	G238-K241 PolarHBondContact O-N 2.94Å; E239-K241 VanDerWaalsContact C-N 3.32Å; E239-K241 PolarHBondContact O-N 2.98Å
242	D	88.2	Confident	84.7	Confident	162 Å²	162	84.7 Å²	84.7	87%	0.866	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-93.6	-1.2	178.2	-58.6	-44.7	0	0	0	112.9	L240	L240-D242 PolarHBondContact O-N 2.74Å
243	V	89.8	Confident	82	Confident	75 Å²	75	93.7 Å²	93.7	46%	0.455	48%	0.482	S	S	.	.	S	Bend	trans	-85.6	136.7	176.3	-179.4	0	0	0	0	109.3	W216 L240 Q245	W216-V243 PolarHBondContact NE1-O 2.58Å; L240-V243 HydrophobicContact CD2-CG2 4.19Å; L240-V243 WeakPolarHBondContact O-CB 3.46Å; L240-V243 PolarHBondContact O-N 3.4Å; V243-Q245 PolarHBondContact O-N 2.98Å
244	K	89.8	Confident	79	Confident	125 Å²	125	102 Å²	102	54%	0.543	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-50	132.4	175.9	-173.8	-178	176.1	-174	0	111	E248	K244-E248 WeakPolarHBondContact CE-O 3.34Å; K244-E248 HydrophobicContact CG-CB 4.45Å; K244-E248 PolarHBondContact NZ-O 3.09Å
245	Q	91.6	Very high	78.1	Confident	39 Å²	39	105.6 Å²	105.6	18%	0.182	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-72.2	154	-179.9	-57.1	-170.1	25.6	0	0	111.9	M214 K215 V243 E248	M214-Q245 HydrophobicContact CE-CG 4.03Å; K215-Q245 CarbonylContact O-C 3.57Å; K215-Q245 VanDerWaalsContact O-CA 3.25Å; K215-Q245 WeakPolarHBondContact O-CA 3.36Å; K215-Q245 WeakPolarHBondContact O-CB 3.07Å; V243-Q245 PolarHBondContact O-N 2.98Å; Q245-E248 VanDerWaalsContact CB-CD 3.49Å; Q245-E248 HydrophobicContact CB-CG 3.86Å; Q245-E248 WeakPolarHBondContact CG-OE1 3.47Å; Q245-E248 PolarHBondContact N-OE2 3.48Å; Q245-E248 VanDerWaalsContact N-OE2 3.16Å; Q245-E248 PolarHBondContact O-N 3.37Å
246	A	88.9	Confident	77	Confident	8 Å²	8	109.4 Å²	109.4	7%	0.066	56%	0.564	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64.7	141	170.6	0	0	0	0	0	110.8	F195 K215 L217 E248	F195-A246 HydrophobicContact CD1-CB 4.08Å; K215-A246 WeakPolarHBondContact CE-O 3.32Å; K215-A246 HydrophobicContact CG-CB 4.02Å; K215-A246 PolarHBondContact O-N 3.08Å; L217-A246 HydrophobicContact CB-CB 4.39Å; L217-A246 HydrophobicContact CD1-CB 3.83Å; L217-A246 HydrophobicContact CG-CB 3.61Å; A246-E248 PolarHBondContact O-N 2.88Å
247	G	81.8	Confident	75.9	Confident	47 Å²	47	111.4 Å²	111.4	49%	0.485	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	72	0.9	-179.6	0	0	0	0	0	115.7	F195 E249	F195-G247 PolarHBondContact O-N 2.75Å; G247-E249 PolarHBondContact O-N 3.25Å
248	E	77.2	Confident	74.6	Confident	88 Å²	88	109.6 Å²	109.6	41%	0.411	57%	0.571	S	S	.	*			trans	-70.8	112.6	169.9	-83.6	177.4	173.9	0	0	110.6	K244 Q245 A246	K244-E248 WeakPolarHBondContact CE-O 3.34Å; K244-E248 HydrophobicContact CG-CB 4.45Å; K244-E248 PolarHBondContact NZ-O 3.09Å; Q245-E248 VanDerWaalsContact CB-CD 3.49Å; Q245-E248 HydrophobicContact CB-CG 3.86Å; Q245-E248 WeakPolarHBondContact CG-OE1 3.47Å; Q245-E248 PolarHBondContact N-OE2 3.48Å; Q245-E248 VanDerWaalsContact N-OE2 3.16Å; Q245-E248 PolarHBondContact O-N 3.37Å; A246-E248 PolarHBondContact O-N 2.88Å
249	E	59.9	Low	73.3	Confident	173 Å²	173	114.9 Å²	114.9	81%	0.808	59%	0.592	S	S	*	*			trans	-61.4	140.7	164	-67.7	-169.5	173.4	0	0	109.2	G247 K251	G247-E249 PolarHBondContact O-N 3.25Å; E249-K251 PolarHBondContact O-N 3.2Å
250	P	54.8	Low	71.8	Confident	100 Å²	100	116.3 Å²	116.3	65%	0.649	60%	0.602	S	S	*	*			trans	-55.7	128.4	173.9	23.8	-31.2	0	0	0	108.9	T252	P250-T252 PolarHBondContact O-N 3.03Å
251	K	50.9	Low	70.2	Confident	201 Å²	201	123.6 Å²	123.6	87%	0.874	64%	0.64	S	S	*	*			trans	-60.1	106.5	169.9	-69.2	-178.2	-179.2	176	0	106.8	E249 E253	E249-K251 PolarHBondContact O-N 3.2Å; K251-E253 PolarHBondContact O-N 2.92Å
252	T	42.2	Very low	68.7	Low	133 Å²	133	121.8 Å²	121.8	82%	0.816	64%	0.639	S	S	*	*			trans	-62.3	108.9	170.2	-20.7	0	0	0	0	106.3	P250 L254	P250-T252 PolarHBondContact O-N 3.03Å; T252-L254 PolarHBondContact O-N 3.21Å
253	E	42.4	Very low	67.1	Low	189 Å²	189	118.4 Å²	118.4	88%	0.883	62%	0.62	S	S	*	*			trans	-60.2	119.9	169.8	-66.7	-176.3	163.4	0	0	107.5	K251	K251-E253 PolarHBondContact O-N 2.92Å
254	L	35.5	Very low	65	Low	243 Å²	243	122.4 Å²	122.4	100%	1.272	64%	0.636	S	S	*	*			trans	-82.7	0	171.8	-90.5	162	0	0	0	110	T252	T252-L254 PolarHBondContact O-N 3.21Å

Retrieved 254 of 254 residues in 1958.4 ms (Link to these results)

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