A0A2K5L8N5_CERAT Loading...

Lumican

AlphaFold DB , UniProt , Accession A0A2K5L8N5, Species CERAT (Cercocebus atys, Sooty mangabey), Gene LUM, Length 338 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	31.3	Very low	34.7	Very low	249 Å²	249	107.2 Å²	107.2	100%	1.227	58%	0.584	S	S	*	*				0	104.3	0	-67.9	168.5	71.3	0	0	106.6
2	S	26.7	Very low	35.1	Very low	77 Å²	77	100.8 Å²	100.8	54%	0.538	55%	0.549	S	S	.	.			trans	-84.3	143.9	-173	57	0	0	0	0	111.2	S4 A5	S2-S4 PolarHBondContact O-N 2.73Å; S2-S4 PolarHBondContact OG-OG 3.31Å; S2-A5 PolarHBondContact O-N 2.84Å; S2-A5 VanDerWaalsContact O-N 3.11Å
3	L	27.4	Very low	35.5	Very low	161 Å²	161	102 Å²	102	84%	0.843	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	-24.7	175.7	-114.8	73.7	0	0	0	113.6	A5 F6	L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 2.63Å; L3-F6 PolarHBondContact O-N 2.74Å
4	S	35.6	Very low	35.4	Very low	67 Å²	67	99.9 Å²	99.9	47%	0.469	57%	0.566	S	S	.	*	H	α-helix	trans	-65.5	-28	179.1	57.6	0	0	0	0	114.5	S2 F6 T7 L8	S2-S4 PolarHBondContact O-N 2.73Å; S2-S4 PolarHBondContact OG-OG 3.31Å; S4-F6 VanDerWaalsContact C-N 3.34Å; S4-T7 PolarHBondContact O-OG1 3.14Å; S4-L8 PolarHBondContact O-N 2.91Å
5	A	31.9	Very low	35.2	Very low	63 Å²	63	95.9 Å²	95.9	52%	0.521	56%	0.557	S	S	.	*	H	α-helix	trans	-74.2	-27.1	179.9	0	0	0	0	0	112.4	S2 L3 F9	S2-A5 PolarHBondContact O-N 2.84Å; S2-A5 VanDerWaalsContact O-N 3.11Å; L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 2.63Å; A5-F9 PolarHBondContact O-N 3.2Å
6	F	34.8	Very low	35	Very low	169 Å²	169	98.2 Å²	98.2	74%	0.741	57%	0.572	S	S	*	*	H	α-helix	trans	-79.1	-32.7	-176.2	-145.6	-95.2	0	0	0	112.3	L3 S4	L3-F6 PolarHBondContact O-N 2.74Å; S4-F6 VanDerWaalsContact C-N 3.34Å
7	T	40.4	Very low	34.9	Very low	76 Å²	76	97.9 Å²	97.9	47%	0.466	60%	0.596	S	S	.	*	H	α-helix	trans	-73.8	-31.7	173.6	38.5	0	0	0	0	112.8	S4	S4-T7 PolarHBondContact O-OG1 3.14Å
8	L	38.9	Very low	34.4	Very low	13 Å²	13	95.8 Å²	95.8	7%	0.068	60%	0.596	C	S	.	*	H	α-helix	trans	-70.9	-33.5	175.4	-147.3	78.4	0	0	0	111.8	S4 L10 A11 L12 L208 Y233	S4-L8 PolarHBondContact O-N 2.91Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 3.19Å; L8-A11 PolarHBondContact O-N 3.39Å; L8-A11 VanDerWaalsContact O-N 3.09Å; L8-L12 HydrophobicContact CD2-CD1 4.31Å; L8-L12 HydrophobicContact CG-CD1 4.23Å; L8-L12 WeakPolarHBondContact O-CD1 3.46Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.3Å; L8-L208 HydrophobicContact CD1-CB 4.37Å; L8-L208 HydrophobicContact CD1-CD1 4.1Å; L8-Y233 HydrophobicContact CD2-CD2 4.32Å; L8-Y233 HydrophobicContact CD2-CE2 3.66Å
9	F	35.2	Very low	34.6	Very low	138 Å²	138	99.7 Å²	99.7	61%	0.605	61%	0.607	S	S	*	*	H	α-helix	trans	-62.7	-33.6	-179.5	-148	-97.6	0	0	0	112.8	A5 I13	A5-F9 PolarHBondContact O-N 3.2Å; F9-I13 HydrophobicContact CD1-CD1 3.74Å; F9-I13 HydrophobicContact CE1-CD1 3.84Å; F9-I13 VanDerWaalsContact O-CD1 3.29Å; F9-I13 WeakPolarHBondContact O-CD1 3.27Å; F9-I13 VanDerWaalsContact O-CG1 3.32Å; F9-I13 WeakPolarHBondContact O-CG1 3.37Å
10	L	40	Very low	34.3	Very low	140 Å²	140	105.3 Å²	105.3	73%	0.733	62%	0.618	S	S	*	*	H	α-helix	trans	-72.2	-27.2	175.1	-77.6	162.2	0	0	0	113.2	L8	L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 3.19Å
11	A	39.2	Very low	34.3	Very low	26 Å²	26	106.3 Å²	106.3	22%	0.215	61%	0.612	C	S	.	*	H	α-helix	trans	-81.7	-18.1	179.2	0	0	0	0	0	113.6	L8 Y188	L8-A11 PolarHBondContact O-N 3.39Å; L8-A11 VanDerWaalsContact O-N 3.09Å; A11-Y188 HydrophobicContact CB-CD2 4.08Å; A11-Y188 HydrophobicContact CB-CE2 3.89Å
12	L	39.8	Very low	34.4	Very low	30 Å²	30	100.5 Å²	100.5	16%	0.157	59%	0.586	C	S	.	*	H	α-helix	trans	-90.9	-22.8	-174	-69.8	165.7	0	0	0	114.1	L8 G14 Y233	L8-L12 HydrophobicContact CD2-CD1 4.31Å; L8-L12 HydrophobicContact CG-CD1 4.23Å; L8-L12 WeakPolarHBondContact O-CD1 3.46Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.3Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 2.8Å; L12-Y233 HydrophobicContact CD1-CD1 4.35Å; L12-Y233 HydrophobicContact CD1-CD2 4.28Å; L12-Y233 HydrophobicContact CD1-CE1 3.7Å; L12-Y233 HydrophobicContact CD1-CE2 3.62Å; L12-Y233 WeakPolarHBondContact CD1-OH 3.43Å; L12-Y233 HydrophobicContact CD2-CD1 3.25Å; L12-Y233 HydrophobicContact CD2-CD2 3.65Å; L12-Y233 HydrophobicContact CD2-CE1 3.47Å; L12-Y233 VanDerWaalsContact CD2-CE1 3.47Å; L12-Y233 HydrophobicContact CD2-CE2 3.85Å; L12-Y233 HydrophobicContact CD2-CG 3.36Å; L12-Y233 HydrophobicContact CG-CD1 4.42Å; L12-Y233 HydrophobicContact CG-CE1 4.2Å; L12-Y233 HydrophobicContact CG-CE2 4.34Å
13	I	40.3	Very low	35.1	Very low	117 Å²	117	105.5 Å²	105.5	60%	0.6	59%	0.594	S	S	*	*	S	Bend	trans	-84.5	-7.7	-175.1	-51.5	161.6	0	0	0	112.3	F9 G15	F9-I13 HydrophobicContact CD1-CD1 3.74Å; F9-I13 HydrophobicContact CE1-CD1 3.84Å; F9-I13 VanDerWaalsContact O-CD1 3.29Å; F9-I13 WeakPolarHBondContact O-CD1 3.27Å; F9-I13 VanDerWaalsContact O-CG1 3.32Å; F9-I13 WeakPolarHBondContact O-CG1 3.37Å; I13-G15 PolarHBondContact O-N 3.28Å
14	G	34.3	Very low	35.5	Very low	72 Å²	72	104.5 Å²	104.5	74%	0.742	59%	0.59	S	S	*	*			trans	-73.9	26.4	-178.6	0	0	0	0	0	116	L12	L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 2.8Å
15	G	32.8	Very low	35.7	Very low	41 Å²	41	108.6 Å²	108.6	42%	0.423	60%	0.6	S	S	.	*			trans	-118.6	41.4	-171.8	0	0	0	0	0	114.4	I13	I13-G15 PolarHBondContact O-N 3.28Å
16	T	30.8	Very low	35.9	Very low	132 Å²	132	109.3 Å²	109.3	81%	0.81	60%	0.599	S	S	*	*	S	Bend	trans	-158.3	145.6	152	45.4	0	0	0	0	107.2	G18	T16-G18 PolarHBondContact O-N 3.47Å; T16-G18 VanDerWaalsContact O-N 3.07Å
17	G	34	Very low	36.5	Very low	94 Å²	94	108.4 Å²	108.4	97%	0.969	60%	0.601	S	S	*	*	S	Bend	trans	-48.1	114.9	-171.8	0	0	0	0	0	113.8
18	G	26.7	Very low	36.5	Very low	59 Å²	59	109.7 Å²	109.7	61%	0.608	61%	0.613	S	S	*	*			trans	-178.1	105.3	174.5	0	0	0	0	0	109.6	T16 Y20	T16-G18 PolarHBondContact O-N 3.47Å; T16-G18 VanDerWaalsContact O-N 3.07Å; G18-Y20 PolarHBondContact O-N 3.33Å
19	Q	37.7	Very low	36.6	Very low	171 Å²	171	115.1 Å²	115.1	80%	0.799	64%	0.641	S	S	*	*			trans	-60.5	107.6	164.8	-68.9	-173.6	-34	0	0	107.8
20	Y	29.2	Very low	37.1	Very low	210 Å²	210	112.4 Å²	112.4	82%	0.824	63%	0.627	S	S	*	*			trans	-124.1	77.6	167.6	-112.7	-88.7	0	0	0	108.4	G18 D22	G18-Y20 PolarHBondContact O-N 3.33Å; Y20-D22 VanDerWaalsContact C-N 3.31Å; Y20-D22 HydrophobicContact CD1-CB 4.44Å; Y20-D22 PolarHBondContact O-N 3.12Å
21	Y	33.2	Very low	37.8	Very low	128 Å²	128	108.4 Å²	108.4	50%	0.502	62%	0.62	S	S	.	*			trans	-77.6	86.7	160.1	-68.8	-74	0	0	0	107.2	Y23	Y21-Y23 VanDerWaalsContact C-N 3.25Å; Y21-Y23 PolarHBondContact O-N 3.21Å
22	D	34.2	Very low	39.1	Very low	127 Å²	127	114.4 Å²	114.4	68%	0.679	64%	0.644	S	S	*	*			trans	-85.5	72.6	175.8	-153.8	6.8	0	0	0	110.3	Y20	Y20-D22 VanDerWaalsContact C-N 3.31Å; Y20-D22 HydrophobicContact CD1-CB 4.44Å; Y20-D22 PolarHBondContact O-N 3.12Å
23	Y	39.9	Very low	40.8	Very low	181 Å²	181	115.3 Å²	115.3	71%	0.71	65%	0.652	S	S	*	*			trans	-150.1	42.2	161	-73.2	-68.1	0	0	0	110.5	Y21 F25	Y21-Y23 VanDerWaalsContact C-N 3.25Å; Y21-Y23 PolarHBondContact O-N 3.21Å; Y23-F25 PolarHBondContact O-N 2.95Å
24	D	36.9	Very low	42.6	Very low	141 Å²	141	111 Å²	111	75%	0.754	63%	0.633	S	S	*	*			trans	-89.1	78.9	165.2	-82	-19.3	0	0	0	108.6	P26	D24-P26 WeakPolarHBondContact O-CD 3.17Å
25	F	40	Very low	44.5	Very low	153 Å²	153	113.2 Å²	113.2	67%	0.671	63%	0.634	S	S	*	*			trans	-75.4	122.6	156.7	-92.4	-84.7	0	0	0	107.5	Y23 L27	Y23-F25 PolarHBondContact O-N 2.95Å; F25-L27 PolarHBondContact O-N 2.89Å
26	P	36.7	Very low	46.9	Very low	78 Å²	78	117.2 Å²	117.2	51%	0.506	65%	0.646	S	S	.	*			trans	-54.8	132.4	175.6	-20.6	30	0	0	0	109.8	D24 S28	D24-P26 WeakPolarHBondContact O-CD 3.17Å; P26-S28 PolarHBondContact O-N 3.44Å
27	L	45.9	Very low	49.8	Very low	150 Å²	150	111.8 Å²	111.8	79%	0.785	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	11.3	175.6	-84.8	158.5	0	0	0	114.5	F25	F25-L27 PolarHBondContact O-N 2.89Å
28	S	40.5	Very low	52.5	Low	102 Å²	102	107.4 Å²	107.4	71%	0.713	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	13	-171.9	67	0	0	0	0	115.2	P26	P26-S28 PolarHBondContact O-N 3.44Å
29	I	41.9	Very low	55.6	Low	127 Å²	127	110.6 Å²	110.6	65%	0.651	58%	0.578	S	S	*	*	S	Bend	trans	-118.3	-5.1	-178.5	-52.4	-179.4	0	0	0	113.5	G31	I29-G31 PolarHBondContact O-N 3.37Å
30	Y	45.3	Very low	58.3	Low	81 Å²	81	106.7 Å²	106.7	32%	0.318	56%	0.56	S	S	.	*			trans	-84.2	118.1	-177.4	-65.2	-67.4	0	0	0	111.7	P44	Y30-P44 HydrophobicContact CD1-CB 3.47Å; Y30-P44 VanDerWaalsContact CD1-CB 3.47Å; Y30-P44 HydrophobicContact CD1-CG 3.35Å; Y30-P44 HydrophobicContact CE1-CB 3.78Å; Y30-P44 HydrophobicContact CE1-CG 3.49Å; Y30-P44 VanDerWaalsContact CE1-CG 3.49Å; Y30-P44 HydrophobicContact CG-CB 4.36Å; Y30-P44 HydrophobicContact CG-CG 3.93Å
31	G	54.9	Low	61.5	Low	57 Å²	57	97.3 Å²	97.3	59%	0.588	52%	0.524	S	S	*	.			trans	-59.6	-166.7	165.7	0	0	0	0	0	112.3	I29 S33	I29-G31 PolarHBondContact O-N 3.37Å; G31-S33 PolarHBondContact O-N 2.91Å
32	Q	66.6	Low	64.4	Low	151 Å²	151	93 Å²	93	71%	0.706	51%	0.51	S	S	*	.	S	Bend	trans	-52.1	137.1	-176.6	-68.5	-177.4	-20.7	0	0	111.1	E45	Q32-E45 WeakPolarHBondContact CB-OE1 3.3Å; Q32-E45 VanDerWaalsContact O-CG 3.23Å; Q32-E45 WeakPolarHBondContact O-CG 3.38Å
33	S	74.7	Confident	67.3	Low	49 Å²	49	87 Å²	87	34%	0.343	48%	0.478	S	S	.	.	B	Isolated β-bridge	trans	-73.8	139.1	173.9	179.5	0	0	0	0	109	G31 C43	G31-S33 PolarHBondContact O-N 2.91Å; S33-C43 WeakPolarHBondContact CA-O 3.32Å; S33-C43 PolarHBondContact OG-N 3.38Å; S33-C43 VanDerWaalsContact OG-N 3.12Å
34	S	78.5	Confident	69.8	Low	27 Å²	27	78.4 Å²	78.4	19%	0.189	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-54.4	139.3	175	175.9	0	0	0	0	110.9	N36 C37 C43	S34-N36 PolarHBondContact O-N 2.91Å; S34-N36 VanDerWaalsContact O-N 3.14Å; S34-N36 PolarHBondContact OG-N 2.86Å; S34-C37 WeakPolarHBondContact O-CB 3.39Å; S34-C37 PolarHBondContact O-N 3.45Å; S34-C43 PolarHBondContact N-O 3.18Å
35	P	74.2	Confident	72.3	Confident	118 Å²	118	77 Å²	77	77%	0.766	43%	0.433	S	S	*	.	S	Bend	trans	-64.4	-16.9	179.2	24.7	-33.6	0	0	0	113.5	C37	P35-C37 PolarHBondContact O-N 2.89Å
36	N	82.3	Confident	74.8	Confident	125 Å²	125	74.6 Å²	74.6	67%	0.668	44%	0.436	S	S	*	.	S	Bend	trans	-96.8	53.8	175.7	-66.2	-32.1	0	0	0	111.1	S34 P65	S34-N36 PolarHBondContact O-N 2.91Å; S34-N36 VanDerWaalsContact O-N 3.14Å; S34-N36 PolarHBondContact OG-N 2.86Å; N36-P65 WeakPolarHBondContact O-CG 3.3Å
37	C	91.6	Very high	77.3	Confident	19 Å²	19	75.7 Å²	75.7	13%	0.128	43%	0.43	C	S	.	.	S	Bend	trans	-125.8	159.3	178	-160.4	0	0	0	0	110.7	S34 P35 C43	S34-C37 WeakPolarHBondContact O-CB 3.39Å; S34-C37 PolarHBondContact O-N 3.45Å; P35-C37 PolarHBondContact O-N 2.89Å; C37-C43 HydrophobicContact CB-CB 3.58Å; C37-C43 WeakPolarHBondContact CB-SG 3.5Å; C37-C43 WeakPolarHBondContact SG-CB 3.41Å; C37-C43 PolarHBondContact SG-N 2.84Å; C37-C43 CovalentContact SG-SG 2.04Å; C37-C43 PolarHBondContact SG-SG 3.29Å
38	A	92.2	Very high	79.5	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.008	42%	0.416	C	S	.	.			trans	-65.3	136.5	166.5	0	0	0	0	0	109.6	E40 C41 M51 P62	A38-E40 PolarHBondContact O-N 3.16Å; A38-E40 VanDerWaalsContact O-N 3.15Å; A38-C41 HydrophobicContact CB-CB 4.24Å; A38-C41 PolarHBondContact O-N 3.27Å; A38-M51 HydrophobicContact CB-CE 3.32Å; A38-P62 HydrophobicContact CB-CB 4.14Å
39	P	91.6	Very high	82	Confident	127 Å²	127	68.4 Å²	68.4	83%	0.825	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.3	-174.3	-26.9	33.9	0	0	0	115.2
40	E	93.6	Very high	84.6	Confident	89 Å²	89	62.3 Å²	62.3	42%	0.416	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.2	178.7	58.6	-94.2	-130.9	0	0	113.3	A38 L56 L58 P62	A38-E40 PolarHBondContact O-N 3.16Å; A38-E40 VanDerWaalsContact O-N 3.15Å; E40-L56 WeakPolarHBondContact O-CD1 3.3Å; E40-L58 HydrophobicContact CB-CD2 4.4Å; E40-L58 HydrophobicContact CG-CD2 3.96Å; E40-P62 HydrophobicContact CG-CB 4.31Å; E40-P62 VanDerWaalsContact OE1-CB 3.31Å; E40-P62 WeakPolarHBondContact OE1-CB 3.05Å
41	C	95.9	Very high	87.1	Confident	12 Å²	12	58.5 Å²	58.5	8%	0.081	34%	0.344	C	S	.	.	S	Bend	trans	-104.4	167.5	-172.7	-60.2	0	0	0	0	112.3	A38 M51 Y52 C53	A38-C41 HydrophobicContact CB-CB 4.24Å; A38-C41 PolarHBondContact O-N 3.27Å; C41-M51 HydrophobicContact CB-CE 3.76Å; C41-M51 HydrophobicContact CB-CG 4.1Å; C41-M51 WeakPolarHBondContact SG-CE 3.3Å; C41-Y52 WeakPolarHBondContact CA-O 3.2Å; C41-Y52 WeakPolarHBondContact CB-O 3.21Å; C41-C53 HydrophobicContact CB-CB 4.14Å; C41-C53 WeakPolarHBondContact CB-SG 3.36Å; C41-C53 WeakPolarHBondContact SG-CB 3.5Å; C41-C53 CovalentContact SG-SG 2.03Å; C41-C53 PolarHBondContact SG-SG 2.81Å
42	N	95.1	Very high	89.1	Confident	37 Å²	37	58.4 Å²	58.4	20%	0.198	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-109.7	127.7	175.1	-177.8	32.6	0	0	0	111	Y52	N42-Y52 PolarHBondContact N-O 3.07Å; N42-Y52 PolarHBondContact O-N 2.92Å
43	C	95.3	Very high	90.6	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	29%	0.293	C	S	.	.			trans	-121.5	96.8	173.1	-60.6	0	0	0	0	109.2	S33 S34 C37 E45	S33-C43 WeakPolarHBondContact CA-O 3.32Å; S33-C43 PolarHBondContact OG-N 3.38Å; S33-C43 VanDerWaalsContact OG-N 3.12Å; S34-C43 PolarHBondContact N-O 3.18Å; C37-C43 HydrophobicContact CB-CB 3.58Å; C37-C43 WeakPolarHBondContact CB-SG 3.5Å; C37-C43 WeakPolarHBondContact SG-CB 3.41Å; C37-C43 PolarHBondContact SG-N 2.84Å; C37-C43 CovalentContact SG-SG 2.04Å; C37-C43 PolarHBondContact SG-SG 3.29Å; C43-E45 PolarHBondContact O-N 2.7Å
44	P	92.5	Very high	91.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-56.5	131	-176.6	-29.8	38.1	0	0	0	113.7	Y30 S46 Y47 P48 Y52	Y30-P44 HydrophobicContact CD1-CB 3.47Å; Y30-P44 VanDerWaalsContact CD1-CB 3.47Å; Y30-P44 HydrophobicContact CD1-CG 3.35Å; Y30-P44 HydrophobicContact CE1-CB 3.78Å; Y30-P44 HydrophobicContact CE1-CG 3.49Å; Y30-P44 VanDerWaalsContact CE1-CG 3.49Å; Y30-P44 HydrophobicContact CG-CB 4.36Å; Y30-P44 HydrophobicContact CG-CG 3.93Å; P44-S46 PolarHBondContact O-N 3.34Å; P44-Y47 CarbonylContact O-C 3Å; P44-Y47 PolarHBondContact O-N 2.84Å; P44-P48 WeakPolarHBondContact O-CA 3.4Å; P44-P48 VanDerWaalsContact O-N 3.09Å; P44-Y52 HydrophobicContact CG-CD2 4.06Å; P44-Y52 HydrophobicContact CG-CE2 3.83Å
45	E	88.9	Confident	92.6	Very high	111 Å²	111	55.3 Å²	55.3	52%	0.519	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.3	174.4	-87.6	175.5	-169.8	0	0	113.7	Q32 C43 Y47	Q32-E45 WeakPolarHBondContact CB-OE1 3.3Å; Q32-E45 VanDerWaalsContact O-CG 3.23Å; Q32-E45 WeakPolarHBondContact O-CG 3.38Å; C43-E45 PolarHBondContact O-N 2.7Å; E45-Y47 PolarHBondContact O-N 3.46Å
46	S	91.5	Very high	93.7	Very high	104 Å²	104	53.3 Å²	53.3	73%	0.727	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.5	175.7	56.8	0	0	0	0	113.1	P44	P44-S46 PolarHBondContact O-N 3.34Å
47	Y	91.2	Very high	94.5	Very high	100 Å²	100	54.7 Å²	54.7	39%	0.392	29%	0.287	S	S	.	.	S	Bend	trans	-147.2	67.1	-178	-156.7	-114.4	0	0	0	111.8	P44 E45 S49 A50 Y70	P44-Y47 CarbonylContact O-C 3Å; P44-Y47 PolarHBondContact O-N 2.84Å; E45-Y47 PolarHBondContact O-N 3.46Å; Y47-S49 PolarHBondContact O-N 3.26Å; Y47-A50 HydrophobicContact CD1-CB 3.46Å; Y47-A50 VanDerWaalsContact CD1-CB 3.46Å; Y47-A50 HydrophobicContact CE1-CB 3.86Å; Y47-A50 PolarHBondContact O-N 3.32Å; Y47-Y70 AromaticContact CE1-CD2 3.65Å; Y47-Y70 HydrophobicContact CE1-CD2 3.65Å; Y47-Y70 AromaticContact CE1-CE2 3.7Å; Y47-Y70 HydrophobicContact CE1-CE2 3.7Å; Y47-Y70 AromaticContact CZ-CE2 3.67Å; Y47-Y70 WeakPolarHBondContact OH-CE2 3.39Å; Y47-Y70 PolarHBondContact OH-OH 3.32Å
48	P	90.6	Very high	94.8	Very high	75 Å²	75	54.9 Å²	54.9	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-8	-166.6	29.2	-36.2	0	0	0	113.7	P44 A50 I68	P44-P48 WeakPolarHBondContact O-CA 3.4Å; P44-P48 VanDerWaalsContact O-N 3.09Å; P48-A50 VanDerWaalsContact C-N 3.33Å; P48-I68 WeakPolarHBondContact O-CD1 3.06Å
49	S	94.4	Very high	95	Very high	24 Å²	24	61.5 Å²	61.5	17%	0.168	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-4.6	173.7	59	0	0	0	0	113.9	Y47 K69 Y70	Y47-S49 PolarHBondContact O-N 3.26Å; S49-K69 PolarHBondContact O-N 2.99Å; S49-Y70 PolarHBondContact O-N 3.39Å; S49-Y70 VanDerWaalsContact O-N 3.12Å
50	A	96.6	Very high	95.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.1	172.3	0	0	0	0	0	111.2	Y47 P48 Y52 Y70	Y47-A50 HydrophobicContact CD1-CB 3.46Å; Y47-A50 VanDerWaalsContact CD1-CB 3.46Å; Y47-A50 HydrophobicContact CE1-CB 3.86Å; Y47-A50 PolarHBondContact O-N 3.32Å; P48-A50 VanDerWaalsContact C-N 3.33Å; A50-Y52 HydrophobicContact CB-CD2 4.43Å; A50-Y52 HydrophobicContact CB-CE2 3.65Å; A50-Y70 WeakPolarHBondContact CA-O 3.23Å; A50-Y70 HydrophobicContact CB-CD2 4.39Å
51	M	96.8	Very high	95.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.2	177.6	179.6	173.5	171.5	0	0	108.6	A38 C41 C53 P62 I68 Y70 L71 Y72	A38-M51 HydrophobicContact CB-CE 3.32Å; C41-M51 HydrophobicContact CB-CE 3.76Å; C41-M51 HydrophobicContact CB-CG 4.1Å; C41-M51 WeakPolarHBondContact SG-CE 3.3Å; M51-C53 VanDerWaalsContact CE-SG 3.52Å; M51-P62 HydrophobicContact CE-CB 4.39Å; M51-P62 HydrophobicContact CE-CG 3.91Å; M51-I68 HydrophobicContact CB-CD1 3.97Å; M51-I68 HydrophobicContact CB-CG1 4.25Å; M51-I68 HydrophobicContact CB-CG2 3.95Å; M51-I68 HydrophobicContact SD-CG1 4.33Å; M51-Y70 PolarHBondContact N-O 3.33Å; M51-L71 HydrophobicContact CB-CD1 4Å; M51-L71 HydrophobicContact CE-CD1 4.46Å; M51-L71 HydrophobicContact CG-CD1 3.85Å; M51-L71 HydrophobicContact SD-CD1 3.95Å; M51-Y72 PolarHBondContact O-N 3.39Å
52	Y	97.8	Very high	95.4	Very high	55 Å²	55	54.1 Å²	54.1	22%	0.216	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.9	-178	-60.7	-89	0	0	0	109.6	C41 N42 P44 A50 Y72	C41-Y52 WeakPolarHBondContact CA-O 3.2Å; C41-Y52 WeakPolarHBondContact CB-O 3.21Å; N42-Y52 PolarHBondContact N-O 3.07Å; N42-Y52 PolarHBondContact O-N 2.92Å; P44-Y52 HydrophobicContact CG-CD2 4.06Å; P44-Y52 HydrophobicContact CG-CE2 3.83Å; A50-Y52 HydrophobicContact CB-CD2 4.43Å; A50-Y52 HydrophobicContact CB-CE2 3.65Å; Y52-Y72 AromaticContact CD1-CD2 3.56Å; Y52-Y72 HydrophobicContact CD1-CD2 3.56Å; Y52-Y72 HydrophobicContact CD1-CE2 4.15Å; Y52-Y72 HydrophobicContact CD1-CG 4.02Å; Y52-Y72 AromaticContact CE1-CD2 3.51Å; Y52-Y72 HydrophobicContact CE1-CD2 3.51Å; Y52-Y72 AromaticContact CE1-CE2 3.59Å; Y52-Y72 HydrophobicContact CE1-CE2 3.59Å; Y52-Y72 HydrophobicContact CE1-CG 4.18Å; Y52-Y72 HydrophobicContact CG-CD2 4.29Å; Y52-Y72 AromaticContact CZ-CE2 3.99Å
53	C	97.8	Very high	95.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.			trans	-131.1	23.8	-179.4	-54	0	0	0	0	111.1	C41 M51 L56 L58 Y72 L73 N76	C41-C53 HydrophobicContact CB-CB 4.14Å; C41-C53 WeakPolarHBondContact CB-SG 3.36Å; C41-C53 WeakPolarHBondContact SG-CB 3.5Å; C41-C53 CovalentContact SG-SG 2.03Å; C41-C53 PolarHBondContact SG-SG 2.81Å; M51-C53 VanDerWaalsContact CE-SG 3.52Å; C53-L56 HydrophobicContact CB-CD1 4.14Å; C53-L58 HydrophobicContact CB-CD1 3.83Å; C53-Y72 CarbonylContact C-O 3.25Å; C53-Y72 WeakPolarHBondContact CA-O 3.5Å; C53-Y72 VanDerWaalsContact CB-O 3.3Å; C53-Y72 WeakPolarHBondContact CB-O 3.34Å; C53-Y72 PolarHBondContact N-O 2.98Å; C53-L73 HydrophobicContact CB-CD2 3.44Å; C53-L73 VanDerWaalsContact CB-CD2 3.44Å; C53-L73 HydrophobicContact CB-CG 4.29Å; C53-N76 PolarHBondContact O-ND2 3.3Å
54	D	97.4	Very high	95.2	Very high	32 Å²	32	59.1 Å²	59.1	17%	0.171	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	142.5	-177.4	-62.4	-32.6	0	0	0	111	L56 Y72 L73 R74	D54-L56 VanDerWaalsContact C-N 3.29Å; D54-L56 WeakPolarHBondContact O-CG 3.49Å; D54-L56 PolarHBondContact O-N 3.39Å; D54-Y72 WeakPolarHBondContact OD1-CB 3.38Å; D54-L73 PolarHBondContact OD1-N 3.11Å; D54-R74 VanDerWaalsContact CA-O 3.32Å; D54-R74 WeakPolarHBondContact CA-O 3.41Å; D54-R74 HydrophobicContact CB-CB 4.42Å; D54-R74 WeakPolarHBondContact OD1-CA 3.22Å; D54-R74 VanDerWaalsContact OD1-CB 3.26Å; D54-R74 WeakPolarHBondContact OD1-CB 3.44Å; D54-R74 PolarHBondContact OD1-N 3.23Å; D54-R74 IonicContact OD1-NE 3.73Å; D54-R74 PolarHBondContact OD1-NE 2.84Å; D54-R74 IonicContact OD2-CZ 3.89Å; D54-R74 IonicContact OD2-NE 3.16Å; D54-R74 PolarHBondContact OD2-NE 3.07Å; D54-R74 VanDerWaalsContact OD2-NE 3.16Å; D54-R74 IonicContact OD2-NH2 3.67Å; D54-R74 PolarHBondContact OD2-NH2 2.99Å
55	E	97.7	Very high	95.2	Very high	131 Å²	131	59.6 Å²	59.6	61%	0.612	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	22.5	169.7	-61.4	-179.7	-169	0	0	116.6	R74 N75	E55-R74 PolarHBondContact N-O 3.31Å; E55-N75 WeakPolarHBondContact CA-O 3.5Å; E55-N75 HydrophobicContact CG-CB 3.49Å; E55-N75 VanDerWaalsContact CG-CB 3.49Å; E55-N75 PolarHBondContact OE1-ND2 3.35Å
56	L	97.6	Very high	95.3	Very high	76 Å²	76	59.3 Å²	59.3	40%	0.398	31%	0.311	S	S	.	.	S	Bend	trans	-94.5	5.2	-176.1	-64.3	177.7	0	0	0	114.3	E40 C53 D54 L58 N76	E40-L56 WeakPolarHBondContact O-CD1 3.3Å; C53-L56 HydrophobicContact CB-CD1 4.14Å; D54-L56 VanDerWaalsContact C-N 3.29Å; D54-L56 WeakPolarHBondContact O-CG 3.49Å; D54-L56 PolarHBondContact O-N 3.39Å; L56-L58 HydrophobicContact CB-CD1 4.31Å; L56-L58 HydrophobicContact CB-CD2 3.96Å; L56-L58 HydrophobicContact CB-CG 3.79Å; L56-L58 HydrophobicContact CD1-CD1 4.38Å; L56-L58 PolarHBondContact O-N 3.02Å; L56-N76 PolarHBondContact N-OD1 3.4Å
57	K	97.9	Very high	95.3	Very high	154 Å²	154	56 Å²	56	67%	0.67	29%	0.292	S	S	*	.			trans	57	31.3	-175.2	-53.1	173.6	-177.2	172.6	0	112.7	N76	K57-N76 PolarHBondContact N-OD1 3.31Å
58	L	97.9	Very high	95.5	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.115	28%	0.275	C	S	.	.			trans	-63.6	138.9	178.7	-57.4	177.9	0	0	0	110.2	E40 C53 L56 P62 L73 N76 Q77 I78	E40-L58 HydrophobicContact CB-CD2 4.4Å; E40-L58 HydrophobicContact CG-CD2 3.96Å; C53-L58 HydrophobicContact CB-CD1 3.83Å; L56-L58 HydrophobicContact CB-CD1 4.31Å; L56-L58 HydrophobicContact CB-CD2 3.96Å; L56-L58 HydrophobicContact CB-CG 3.79Å; L56-L58 HydrophobicContact CD1-CD1 4.38Å; L56-L58 PolarHBondContact O-N 3.02Å; L58-P62 HydrophobicContact CD1-CG 4.21Å; L58-L73 HydrophobicContact CD1-CD2 3.85Å; L58-N76 HydrophobicContact CB-CB 4.25Å; L58-N76 PolarHBondContact N-OD1 2.81Å; L58-Q77 CarbonylContact O-C 3.1Å; L58-Q77 WeakPolarHBondContact O-CA 3.37Å; L58-Q77 WeakPolarHBondContact O-CB 3.45Å; L58-Q77 PolarHBondContact O-N 3.3Å; L58-I78 HydrophobicContact CB-CD1 4.47Å; L58-I78 HydrophobicContact CB-CG1 4.14Å; L58-I78 WeakPolarHBondContact O-CG1 3.27Å; L58-I78 PolarHBondContact O-N 3.45Å
59	K	97.2	Very high	95.8	Very high	141 Å²	141	51.7 Å²	51.7	61%	0.613	27%	0.268	S	S	*	.	S	Bend	trans	-98	-15	177.2	-64.4	-173.6	178.4	-177.6	0	113.4	I78 D79 H80	K59-I78 WeakPolarHBondContact O-CA 3.32Å; K59-D79 PolarHBondContact O-N 3.16Å; K59-H80 PolarHBondContact O-CE1 3.28Å; K59-H80 PolarHBondContact O-ND1 3.47Å
60	S	96.8	Very high	96	Very high	48 Å²	48	52.2 Å²	52.2	34%	0.336	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-144.1	161.2	-179.4	58.6	0	0	0	0	109.3
61	V	96.6	Very high	96	Very high	17 Å²	17	52.2 Å²	52.2	10%	0.103	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-62.4	126.6	169.6	179.7	0	0	0	0	108.6	V64 L73 I78 I81 A85 F86 L97	V61-V64 HydrophobicContact CG1-CG2 4.26Å; V61-L73 HydrophobicContact CG1-CD1 4.07Å; V61-L73 HydrophobicContact CG2-CD1 4.33Å; V61-I78 HydrophobicContact CG2-CG2 4.31Å; V61-I81 HydrophobicContact CG2-CG1 4.06Å; V61-I81 HydrophobicContact CG2-CG2 4.42Å; V61-A85 HydrophobicContact CB-CB 4.38Å; V61-A85 HydrophobicContact CG1-CB 4.43Å; V61-F86 HydrophobicContact CG1-CE1 3.87Å; V61-F86 HydrophobicContact CG1-CZ 4.05Å; V61-F86 HydrophobicContact CG2-CZ 4.39Å; V61-L97 HydrophobicContact CG2-CD2 4.49Å
62	P	95	Very high	96.1	Very high	7 Å²	7	54 Å²	54	5%	0.045	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-70.8	170.2	178.5	31.3	-35.5	0	0	0	110.8	A38 E40 M51 L58 V64 L73	A38-P62 HydrophobicContact CB-CB 4.14Å; E40-P62 HydrophobicContact CG-CB 4.31Å; E40-P62 VanDerWaalsContact OE1-CB 3.31Å; E40-P62 WeakPolarHBondContact OE1-CB 3.05Å; M51-P62 HydrophobicContact CE-CB 4.39Å; M51-P62 HydrophobicContact CE-CG 3.91Å; L58-P62 HydrophobicContact CD1-CG 4.21Å; P62-V64 PolarHBondContact O-N 2.84Å; P62-L73 VanDerWaalsContact CD-CD2 3.46Å; P62-L73 HydrophobicContact CG-CD2 3.94Å
63	M	92.8	Very high	96.2	Very high	134 Å²	134	51.4 Å²	51.4	66%	0.66	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-62.4	122.3	174.3	-176.7	-101.2	-77.6	0	0	109.8	P65	M63-P65 WeakPolarHBondContact O-CD 3.36Å; M63-P65 HydrophobicContact SD-CG 4.27Å
64	V	94.3	Very high	96.2	Very high	10 Å²	10	54.5 Å²	54.5	6%	0.061	28%	0.276	C	S	.	.			trans	-96.8	112.3	-180	-175.7	0	0	0	0	109.1	V61 P62 I68 L71 F86 V89	V61-V64 HydrophobicContact CG1-CG2 4.26Å; P62-V64 PolarHBondContact O-N 2.84Å; V64-I68 HydrophobicContact CG1-CB 4.02Å; V64-I68 HydrophobicContact CG1-CG1 4.36Å; V64-I68 HydrophobicContact CG1-CG2 4.2Å; V64-L71 HydrophobicContact CG1-CD2 4.29Å; V64-L71 HydrophobicContact CG2-CD2 3.51Å; V64-F86 HydrophobicContact CG2-CD1 4.46Å; V64-F86 HydrophobicContact CG2-CE1 4.33Å; V64-V89 HydrophobicContact CB-CG2 3.63Å; V64-V89 HydrophobicContact CG1-CG1 4.09Å; V64-V89 HydrophobicContact CG1-CG2 3.73Å
65	P	91.9	Very high	96.3	Very high	10 Å²	10	56.3 Å²	56.3	7%	0.065	29%	0.285	C	S	.	.			trans	-65.2	153.8	179.4	-21.9	34.4	0	0	0	112.8	N36 M63 I68	N36-P65 WeakPolarHBondContact O-CG 3.3Å; M63-P65 WeakPolarHBondContact O-CD 3.36Å; M63-P65 HydrophobicContact SD-CG 4.27Å; P65-I68 HydrophobicContact CB-CG1 4.43Å; P65-I68 WeakPolarHBondContact O-CG1 3.21Å
66	P	90.6	Very high	96.3	Very high	106 Å²	106	50.6 Å²	50.6	69%	0.688	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	144.3	170.5	-22.9	33.9	0	0	0	112.1
67	G	91.6	Very high	96.3	Very high	33 Å²	33	51.1 Å²	51.1	34%	0.34	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-9.1	179.3	0	0	0	0	0	115.4	K69	G67-K69 PolarHBondContact O-N 3.31Å
68	I	95.3	Very high	96.4	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	23%	0.227	C	C	.	.			trans	-66.7	126.3	170.4	-62.4	-54.7	0	0	0	110	P48 M51 V64 P65 L71 L92	P48-I68 WeakPolarHBondContact O-CD1 3.06Å; M51-I68 HydrophobicContact CB-CD1 3.97Å; M51-I68 HydrophobicContact CB-CG1 4.25Å; M51-I68 HydrophobicContact CB-CG2 3.95Å; M51-I68 HydrophobicContact SD-CG1 4.33Å; V64-I68 HydrophobicContact CG1-CB 4.02Å; V64-I68 HydrophobicContact CG1-CG1 4.36Å; V64-I68 HydrophobicContact CG1-CG2 4.2Å; P65-I68 HydrophobicContact CB-CG1 4.43Å; P65-I68 WeakPolarHBondContact O-CG1 3.21Å; I68-L71 HydrophobicContact CG2-CB 4.42Å; I68-L92 HydrophobicContact CG2-CD1 4.01Å; I68-L92 PolarHBondContact O-N 3.15Å
69	K	97.6	Very high	96.4	Very high	79 Å²	79	44.9 Å²	44.9	34%	0.343	23%	0.233	S	C	.	.			trans	-107.4	-27.6	178.6	-65.4	-178.8	180	177.3	0	112.4	S49 G67 D91 Q93 W94	S49-K69 PolarHBondContact O-N 2.99Å; G67-K69 PolarHBondContact O-N 3.31Å; K69-D91 HydrophobicContact CG-CB 4.24Å; K69-Q93 PolarHBondContact O-N 2.86Å; K69-W94 PolarHBondContact O-N 2.77Å
70	Y	98.3	Very high	96.4	Very high	36 Å²	36	40.4 Å²	40.4	14%	0.141	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	115.8	-176	-44	-81.2	0	0	0	109.3	Y47 S49 A50 M51 W94	Y47-Y70 AromaticContact CE1-CD2 3.65Å; Y47-Y70 HydrophobicContact CE1-CD2 3.65Å; Y47-Y70 AromaticContact CE1-CE2 3.7Å; Y47-Y70 HydrophobicContact CE1-CE2 3.7Å; Y47-Y70 AromaticContact CZ-CE2 3.67Å; Y47-Y70 WeakPolarHBondContact OH-CE2 3.39Å; Y47-Y70 PolarHBondContact OH-OH 3.32Å; S49-Y70 PolarHBondContact O-N 3.39Å; S49-Y70 VanDerWaalsContact O-N 3.12Å; A50-Y70 WeakPolarHBondContact CA-O 3.23Å; A50-Y70 HydrophobicContact CB-CD2 4.39Å; M51-Y70 PolarHBondContact N-O 3.33Å; Y70-W94 HydrophobicContact CD1-CB 3.96Å; Y70-W94 AromaticContact CD1-CD2 3.57Å; Y70-W94 HydrophobicContact CD1-CD2 3.57Å; Y70-W94 AromaticContact CD1-CE3 3.82Å; Y70-W94 HydrophobicContact CD1-CE3 3.82Å; Y70-W94 AromaticContact CD1-CG 3.65Å; Y70-W94 HydrophobicContact CD1-CG 3.65Å; Y70-W94 AromaticContact CE1-CD2 3.94Å; Y70-W94 HydrophobicContact CE1-CD2 3.94Å; Y70-W94 AromaticContact CE1-CE2 3.99Å; Y70-W94 HydrophobicContact CE1-CE3 4.4Å; Y70-W94 HydrophobicContact CE1-CG 4.14Å; Y70-W94 HydrophobicContact CE1-CZ2 4.5Å
71	L	98.3	Very high	96.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.1	-179	179.2	57.4	0	0	0	110.2	M51 V64 I68 L73 F86 L92 W94 L95 I96	M51-L71 HydrophobicContact CB-CD1 4Å; M51-L71 HydrophobicContact CE-CD1 4.46Å; M51-L71 HydrophobicContact CG-CD1 3.85Å; M51-L71 HydrophobicContact SD-CD1 3.95Å; V64-L71 HydrophobicContact CG1-CD2 4.29Å; V64-L71 HydrophobicContact CG2-CD2 3.51Å; I68-L71 HydrophobicContact CG2-CB 4.42Å; L71-L73 HydrophobicContact CD1-CD1 4.22Å; L71-L73 HydrophobicContact CD1-CG 4.12Å; L71-L73 HydrophobicContact CD2-CD1 3.79Å; L71-L73 HydrophobicContact CG-CD1 3.8Å; L71-L73 HydrophobicContact CG-CG 4.07Å; L71-F86 HydrophobicContact CD2-CE1 4.31Å; L71-L92 HydrophobicContact CB-CD1 3.71Å; L71-W94 PolarHBondContact N-O 3.3Å; L71-L95 HydrophobicContact CB-CD1 4.32Å; L71-L95 HydrophobicContact CD2-CD1 3.9Å; L71-L95 HydrophobicContact CG-CD1 4.17Å; L71-I96 PolarHBondContact O-N 3.35Å
72	Y	98.7	Very high	96.3	Very high	38 Å²	38	40.5 Å²	40.5	15%	0.149	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.2	179.8	-55.5	-89.6	0	0	0	109.7	M51 Y52 C53 D54 I96	M51-Y72 PolarHBondContact O-N 3.39Å; Y52-Y72 AromaticContact CD1-CD2 3.56Å; Y52-Y72 HydrophobicContact CD1-CD2 3.56Å; Y52-Y72 HydrophobicContact CD1-CE2 4.15Å; Y52-Y72 HydrophobicContact CD1-CG 4.02Å; Y52-Y72 AromaticContact CE1-CD2 3.51Å; Y52-Y72 HydrophobicContact CE1-CD2 3.51Å; Y52-Y72 AromaticContact CE1-CE2 3.59Å; Y52-Y72 HydrophobicContact CE1-CE2 3.59Å; Y52-Y72 HydrophobicContact CE1-CG 4.18Å; Y52-Y72 HydrophobicContact CG-CD2 4.29Å; Y52-Y72 AromaticContact CZ-CE2 3.99Å; C53-Y72 CarbonylContact C-O 3.25Å; C53-Y72 WeakPolarHBondContact CA-O 3.5Å; C53-Y72 VanDerWaalsContact CB-O 3.3Å; C53-Y72 WeakPolarHBondContact CB-O 3.34Å; C53-Y72 PolarHBondContact N-O 2.98Å; D54-Y72 WeakPolarHBondContact OD1-CB 3.38Å; Y72-I96 HydrophobicContact CD1-CB 4.14Å; Y72-I96 HydrophobicContact CD1-CG1 3.78Å; Y72-I96 HydrophobicContact CE1-CG1 3.96Å
73	L	98.5	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.			trans	-130.6	28.2	-176.2	-73.8	162.3	0	0	0	111.4	C53 D54 L58 V61 P62 L71 N76 I78 L95 I96 L97 N100	C53-L73 HydrophobicContact CB-CD2 3.44Å; C53-L73 VanDerWaalsContact CB-CD2 3.44Å; C53-L73 HydrophobicContact CB-CG 4.29Å; D54-L73 PolarHBondContact OD1-N 3.11Å; L58-L73 HydrophobicContact CD1-CD2 3.85Å; V61-L73 HydrophobicContact CG1-CD1 4.07Å; V61-L73 HydrophobicContact CG2-CD1 4.33Å; P62-L73 VanDerWaalsContact CD-CD2 3.46Å; P62-L73 HydrophobicContact CG-CD2 3.94Å; L71-L73 HydrophobicContact CD1-CD1 4.22Å; L71-L73 HydrophobicContact CD1-CG 4.12Å; L71-L73 HydrophobicContact CD2-CD1 3.79Å; L71-L73 HydrophobicContact CG-CD1 3.8Å; L71-L73 HydrophobicContact CG-CG 4.07Å; L73-N76 VanDerWaalsContact C-ND2 3.34Å; L73-N76 PolarHBondContact O-ND2 3.36Å; L73-I78 HydrophobicContact CB-CD1 3.98Å; L73-I78 HydrophobicContact CD1-CD1 4.35Å; L73-I78 HydrophobicContact CD2-CD1 3.93Å; L73-I78 HydrophobicContact CG-CD1 4.33Å; L73-L95 HydrophobicContact CD1-CD1 4.34Å; L73-I96 WeakPolarHBondContact CA-O 3.48Å; L73-I96 WeakPolarHBondContact CB-O 3.25Å; L73-I96 PolarHBondContact N-O 2.86Å; L73-L97 HydrophobicContact CB-CD2 3.85Å; L73-L97 HydrophobicContact CD1-CD2 3.67Å; L73-L97 HydrophobicContact CG-CD2 4.42Å; L73-N100 PolarHBondContact O-ND2 3.21Å
74	R	98.4	Very high	96	Very high	65 Å²	65	46.4 Å²	46.4	25%	0.245	23%	0.234	C	C	.	.			trans	-66.4	154.9	-175.1	-59.5	177.6	-69.7	166.5	3.9	112.1	D54 E55 N76 I96 D98	D54-R74 VanDerWaalsContact CA-O 3.32Å; D54-R74 WeakPolarHBondContact CA-O 3.41Å; D54-R74 HydrophobicContact CB-CB 4.42Å; D54-R74 WeakPolarHBondContact OD1-CA 3.22Å; D54-R74 VanDerWaalsContact OD1-CB 3.26Å; D54-R74 WeakPolarHBondContact OD1-CB 3.44Å; D54-R74 PolarHBondContact OD1-N 3.23Å; D54-R74 IonicContact OD1-NE 3.73Å; D54-R74 PolarHBondContact OD1-NE 2.84Å; D54-R74 IonicContact OD2-CZ 3.89Å; D54-R74 IonicContact OD2-NE 3.16Å; D54-R74 PolarHBondContact OD2-NE 3.07Å; D54-R74 VanDerWaalsContact OD2-NE 3.16Å; D54-R74 IonicContact OD2-NH2 3.67Å; D54-R74 PolarHBondContact OD2-NH2 2.99Å; E55-R74 PolarHBondContact N-O 3.31Å; R74-N76 VanDerWaalsContact C-N 3.29Å; R74-N76 PolarHBondContact O-N 3.43Å; R74-N76 PolarHBondContact O-ND2 3.24Å; R74-N76 VanDerWaalsContact O-ND2 3.09Å; R74-I96 HydrophobicContact CG-CB 4.46Å; R74-I96 HydrophobicContact CG-CG2 3.57Å; R74-D98 VanDerWaalsContact CA-O 3.24Å; R74-D98 WeakPolarHBondContact CA-O 3.19Å; R74-D98 HydrophobicContact CG-CB 4.29Å
75	N	98.5	Very high	95.9	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	24%	0.24	S	C	.	.	S	Bend	trans	54.8	43.8	170.3	-62.1	-26.5	0	0	0	112.6	E55 D98 H99	E55-N75 WeakPolarHBondContact CA-O 3.5Å; E55-N75 HydrophobicContact CG-CB 3.49Å; E55-N75 VanDerWaalsContact CG-CB 3.49Å; E55-N75 PolarHBondContact OE1-ND2 3.35Å; N75-D98 PolarHBondContact N-O 2.92Å; N75-D98 VanDerWaalsContact N-O 3.1Å; N75-H99 VanDerWaalsContact CA-O 3.31Å; N75-H99 WeakPolarHBondContact CA-O 3.42Å; N75-H99 PolarHBondContact N-O 2.75Å; N75-H99 WeakPolarHBondContact OD1-CB 3.33Å
76	N	98.7	Very high	95.9	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.064	24%	0.237	C	C	.	.	S	Bend	trans	-113.3	-170.9	177.8	-81.2	-66.8	0	0	0	111	C53 L56 K57 L58 L73 R74 I78 H99 N100	C53-N76 PolarHBondContact O-ND2 3.3Å; L56-N76 PolarHBondContact N-OD1 3.4Å; K57-N76 PolarHBondContact N-OD1 3.31Å; L58-N76 HydrophobicContact CB-CB 4.25Å; L58-N76 PolarHBondContact N-OD1 2.81Å; L73-N76 VanDerWaalsContact C-ND2 3.34Å; L73-N76 PolarHBondContact O-ND2 3.36Å; R74-N76 VanDerWaalsContact C-N 3.29Å; R74-N76 PolarHBondContact O-N 3.43Å; R74-N76 PolarHBondContact O-ND2 3.24Å; R74-N76 VanDerWaalsContact O-ND2 3.09Å; N76-I78 HydrophobicContact CB-CD1 4.18Å; N76-I78 HydrophobicContact CB-CG1 3.95Å; N76-H99 PolarHBondContact N-O 3.34Å; N76-N100 WeakPolarHBondContact CA-OD1 3.28Å; N76-N100 WeakPolarHBondContact CB-OD1 3.47Å; N76-N100 PolarHBondContact O-OD1 3Å
77	Q	98.4	Very high	95.7	Very high	87 Å²	87	46.6 Å²	46.6	41%	0.407	23%	0.228	S	C	.	.			trans	-114	28.4	177.9	-60.2	176.8	9.2	0	0	110.6	L58 D79 L101	L58-Q77 CarbonylContact O-C 3.1Å; L58-Q77 WeakPolarHBondContact O-CA 3.37Å; L58-Q77 WeakPolarHBondContact O-CB 3.45Å; L58-Q77 PolarHBondContact O-N 3.3Å; Q77-D79 PolarHBondContact O-N 2.99Å; Q77-D79 VanDerWaalsContact O-N 3.15Å; Q77-L101 HydrophobicContact CB-CD1 4.23Å
78	I	98.6	Very high	95.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.			trans	-69.7	114.5	-174.7	-59.1	171.3	0	0	0	107.9	L58 K59 V61 L73 N76 H80 L97 N100 L101 L102	L58-I78 HydrophobicContact CB-CD1 4.47Å; L58-I78 HydrophobicContact CB-CG1 4.14Å; L58-I78 WeakPolarHBondContact O-CG1 3.27Å; L58-I78 PolarHBondContact O-N 3.45Å; K59-I78 WeakPolarHBondContact O-CA 3.32Å; V61-I78 HydrophobicContact CG2-CG2 4.31Å; L73-I78 HydrophobicContact CB-CD1 3.98Å; L73-I78 HydrophobicContact CD1-CD1 4.35Å; L73-I78 HydrophobicContact CD2-CD1 3.93Å; L73-I78 HydrophobicContact CG-CD1 4.33Å; N76-I78 HydrophobicContact CB-CD1 4.18Å; N76-I78 HydrophobicContact CB-CG1 3.95Å; I78-H80 WeakPolarHBondContact CG2-O 3.41Å; I78-L97 HydrophobicContact CD1-CD2 4.28Å; I78-N100 HydrophobicContact CB-CB 4.32Å; I78-N100 VanDerWaalsContact CB-OD1 3.25Å; I78-N100 WeakPolarHBondContact CB-OD1 3.24Å; I78-N100 WeakPolarHBondContact CG1-OD1 3.4Å; I78-N100 PolarHBondContact N-OD1 3.02Å; I78-L101 CarbonylContact O-C 3.56Å; I78-L101 WeakPolarHBondContact O-CA 3.32Å; I78-L101 PolarHBondContact O-N 3.37Å; I78-L102 HydrophobicContact CG2-CD2 3.94Å; I78-L102 PolarHBondContact O-N 3Å
79	D	97.8	Very high	95.3	Very high	45 Å²	45	50.9 Å²	50.9	24%	0.241	24%	0.243	C	C	.	.			trans	-110.2	-10.5	-178.6	76.2	-26.2	0	0	0	113	K59 Q77 L101 K106	K59-D79 PolarHBondContact O-N 3.16Å; Q77-D79 PolarHBondContact O-N 2.99Å; Q77-D79 VanDerWaalsContact O-N 3.15Å; D79-L101 HydrophobicContact CB-CB 3.94Å; D79-K106 HydrophobicContact CB-CD 4.38Å; D79-K106 WeakPolarHBondContact O-CB 3.22Å; D79-K106 WeakPolarHBondContact O-CD 3.31Å; D79-K106 IonicContact OD2-NZ 3.02Å; D79-K106 PolarHBondContact OD2-NZ 3.37Å
80	H	97.6	Very high	94.9	Very high	46 Å²	46	51.1 Å²	51.1	21%	0.213	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-142.9	157.5	178.2	65.3	-76.1	0	0	0	113.2	K59 I78 D82 K106	K59-H80 PolarHBondContact O-CE1 3.28Å; K59-H80 PolarHBondContact O-ND1 3.47Å; I78-H80 WeakPolarHBondContact CG2-O 3.41Å; H80-D82 IonicContact CD2-OD1 3.69Å; H80-D82 IonicContact CD2-OD2 3.92Å; H80-D82 IonicContact NE2-OD2 3.82Å; H80-K106 WeakPolarHBondContact CA-O 3.42Å; H80-K106 HydrophobicContact CB-CB 3.73Å; H80-K106 HydrophobicContact CB-CD 4.38Å; H80-K106 HydrophobicContact CB-CG 4.41Å; H80-K106 WeakPolarHBondContact CB-O 3.24Å
81	I	97	Very high	94.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-127.8	116.5	169.2	-55.1	178	0	0	0	107.4	V61 A85 F86 L97 L102 K106 I107 K108 V111 F112	V61-I81 HydrophobicContact CG2-CG1 4.06Å; V61-I81 HydrophobicContact CG2-CG2 4.42Å; I81-A85 HydrophobicContact CG2-CB 3.9Å; I81-F86 HydrophobicContact CG2-CE2 3.9Å; I81-L97 HydrophobicContact CD1-CD1 4.12Å; I81-L102 HydrophobicContact CD1-CD1 4.15Å; I81-L102 HydrophobicContact CD1-CD2 4.13Å; I81-L102 HydrophobicContact CG1-CD2 3.74Å; I81-K106 PolarHBondContact N-O 2.81Å; I81-I107 HydrophobicContact CB-CG2 4.47Å; I81-I107 HydrophobicContact CD1-CG1 4.39Å; I81-I107 HydrophobicContact CG1-CG1 4.47Å; I81-K108 PolarHBondContact O-N 2.98Å; I81-V111 HydrophobicContact CG2-CB 4.47Å; I81-V111 HydrophobicContact CG2-CG1 4.39Å; I81-V111 HydrophobicContact CG2-CG2 4.08Å; I81-F112 HydrophobicContact CD1-CE1 4.36Å; I81-F112 HydrophobicContact CD1-CZ 3.84Å
82	D	93.9	Very high	94.8	Very high	67 Å²	67	52.6 Å²	52.6	36%	0.358	26%	0.262	S	S	.	.			trans	-75.4	152.6	176.7	-73.8	-49.1	0	0	0	112.2	H80 K84 A85 K108	H80-D82 IonicContact CD2-OD1 3.69Å; H80-D82 IonicContact CD2-OD2 3.92Å; H80-D82 IonicContact NE2-OD2 3.82Å; D82-K84 PolarHBondContact O-N 3.47Å; D82-A85 VanDerWaalsContact O-CB 3.24Å; D82-A85 WeakPolarHBondContact O-CB 3.35Å; D82-A85 PolarHBondContact O-N 3.05Å; D82-K108 IonicContact OD1-NZ 3.14Å; D82-K108 PolarHBondContact OD1-NZ 3.42Å
83	E	91.1	Very high	94.8	Very high	110 Å²	110	52.8 Å²	52.8	51%	0.514	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.7	-175.2	-179.9	171.3	-164	0	0	114	K108 K114	E83-K108 HydrophobicContact CB-CB 4.37Å; E83-K114 PolarHBondContact O-NZ 3.27Å
84	K	90.9	Very high	94.8	Very high	155 Å²	155	56.4 Å²	56.4	67%	0.674	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-4.7	-178.5	-60	-169.4	176.7	-176.9	0	114.1	D82 F86 E87	D82-K84 PolarHBondContact O-N 3.47Å; K84-F86 PolarHBondContact O-N 2.89Å; K84-E87 WeakPolarHBondContact CG-OE2 3.39Å; K84-E87 PolarHBondContact O-N 3.14Å; K84-E87 VanDerWaalsContact O-N 3.12Å
85	A	91.9	Very high	94.8	Very high	24 Å²	24	53.3 Å²	53.3	20%	0.198	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.9	-174.8	0	0	0	0	0	113.1	V61 I81 D82	V61-A85 HydrophobicContact CB-CB 4.38Å; V61-A85 HydrophobicContact CG1-CB 4.43Å; I81-A85 HydrophobicContact CG2-CB 3.9Å; D82-A85 VanDerWaalsContact O-CB 3.24Å; D82-A85 WeakPolarHBondContact O-CB 3.35Å; D82-A85 PolarHBondContact O-N 3.05Å
86	F	92.4	Very high	94.8	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	22.6	-179.2	-53	-54.6	0	0	0	113.8	V61 V64 L71 I81 K84 N88 V89 L95 V111 L115	V61-F86 HydrophobicContact CG1-CE1 3.87Å; V61-F86 HydrophobicContact CG1-CZ 4.05Å; V61-F86 HydrophobicContact CG2-CZ 4.39Å; V64-F86 HydrophobicContact CG2-CD1 4.46Å; V64-F86 HydrophobicContact CG2-CE1 4.33Å; L71-F86 HydrophobicContact CD2-CE1 4.31Å; I81-F86 HydrophobicContact CG2-CE2 3.9Å; K84-F86 PolarHBondContact O-N 2.89Å; F86-N88 VanDerWaalsContact C-N 3.34Å; F86-N88 PolarHBondContact O-N 2.93Å; F86-V89 HydrophobicContact CB-CB 4.22Å; F86-V89 HydrophobicContact CB-CG2 4.4Å; F86-V89 HydrophobicContact CD1-CG2 4.31Å; F86-V89 PolarHBondContact O-N 3.36Å; F86-L95 HydrophobicContact CE1-CD1 4.48Å; F86-L95 HydrophobicContact CE1-CD2 4.39Å; F86-L95 HydrophobicContact CE2-CD2 4.03Å; F86-L95 HydrophobicContact CZ-CD1 4.24Å; F86-L95 HydrophobicContact CZ-CD2 3.72Å; F86-V111 HydrophobicContact CD2-CB 4.04Å; F86-L115 HydrophobicContact CB-CD2 3.73Å; F86-L115 HydrophobicContact CB-CG 4.35Å; F86-L115 HydrophobicContact CD1-CD2 4.36Å; F86-L115 HydrophobicContact CD2-CD1 4.16Å; F86-L115 HydrophobicContact CG-CD1 4.36Å; F86-L115 HydrophobicContact CG-CD2 3.98Å; F86-L115 HydrophobicContact CG-CG 4.46Å
87	E	86.4	Confident	94.8	Very high	105 Å²	105	50 Å²	50	49%	0.491	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-38.3	-173.6	-172.4	164.4	-156.7	0	0	113.3	K84	K84-E87 WeakPolarHBondContact CG-OE2 3.39Å; K84-E87 PolarHBondContact O-N 3.14Å; K84-E87 VanDerWaalsContact O-N 3.12Å
88	N	85.8	Confident	94.8	Very high	122 Å²	122	46.5 Å²	46.5	65%	0.652	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	12.8	-179.7	-63.8	-31.4	0	0	0	113.4	F86 T90	F86-N88 VanDerWaalsContact C-N 3.34Å; F86-N88 PolarHBondContact O-N 2.93Å; N88-T90 PolarHBondContact O-N 3.11Å
89	V	91.9	Very high	94.8	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	25%	0.247	C	C	.	.			trans	-98.9	91.5	-173.6	-177.4	0	0	0	0	109.3	V64 F86 L92 L115	V64-V89 HydrophobicContact CB-CG2 3.63Å; V64-V89 HydrophobicContact CG1-CG1 4.09Å; V64-V89 HydrophobicContact CG1-CG2 3.73Å; F86-V89 HydrophobicContact CB-CB 4.22Å; F86-V89 HydrophobicContact CB-CG2 4.4Å; F86-V89 HydrophobicContact CD1-CG2 4.31Å; F86-V89 PolarHBondContact O-N 3.36Å; V89-L92 HydrophobicContact CG1-CB 3.52Å; V89-L92 HydrophobicContact CG1-CD2 4.13Å; V89-L92 HydrophobicContact CG1-CG 4.28Å; V89-L115 HydrophobicContact CB-CD2 4.19Å; V89-L115 HydrophobicContact CG1-CD2 3.97Å
90	T	89.9	Confident	94.9	Very high	85 Å²	85	47.8 Å²	47.8	52%	0.521	24%	0.237	S	C	.	.			trans	-96.7	-25.5	-173.6	54.7	0	0	0	0	114.5	N88 Q117	N88-T90 PolarHBondContact O-N 3.11Å; T90-Q117 WeakPolarHBondContact O-CG 3.44Å
91	D	95.5	Very high	94.9	Very high	66 Å²	66	49.7 Å²	49.7	35%	0.353	25%	0.248	S	C	.	.	S	Bend	trans	-102.2	-2.6	-168.4	-58.3	-31.8	0	0	0	113.6	K69 Q93	K69-D91 HydrophobicContact CG-CB 4.24Å; D91-Q93 WeakPolarHBondContact O-CG 3.18Å; D91-Q93 PolarHBondContact O-N 3.04Å
92	L	98	Very high	95	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.			trans	-63.3	122	-174.3	-166	74.5	0	0	0	110.8	I68 L71 V89 L95 L115 Q117 L118	I68-L92 HydrophobicContact CG2-CD1 4.01Å; I68-L92 PolarHBondContact O-N 3.15Å; L71-L92 HydrophobicContact CB-CD1 3.71Å; V89-L92 HydrophobicContact CG1-CB 3.52Å; V89-L92 HydrophobicContact CG1-CD2 4.13Å; V89-L92 HydrophobicContact CG1-CG 4.28Å; L92-L95 HydrophobicContact CD2-CB 4Å; L92-L95 HydrophobicContact CD2-CD1 4.37Å; L92-L95 HydrophobicContact CD2-CD2 4.47Å; L92-L115 HydrophobicContact CB-CD2 4.21Å; L92-L115 HydrophobicContact CD2-CD1 4.18Å; L92-L115 HydrophobicContact CD2-CD2 4Å; L92-Q117 CarbonylContact O-C 3.26Å; L92-Q117 VanDerWaalsContact O-C 3.26Å; L92-L118 HydrophobicContact CD2-CD1 4.31Å; L92-L118 HydrophobicContact CG-CD1 4.32Å; L92-L118 VanDerWaalsContact O-CA 3.32Å; L92-L118 WeakPolarHBondContact O-CA 3.43Å; L92-L118 PolarHBondContact O-N 2.8Å
93	Q	98.5	Very high	95.1	Very high	43 Å²	43	49.5 Å²	49.5	20%	0.201	25%	0.245	C	C	.	.			trans	-103.3	-41.5	178.8	-58.9	-172.6	28.6	0	0	110.6	K69 D91 L118 K119 K120	K69-Q93 PolarHBondContact O-N 2.86Å; D91-Q93 WeakPolarHBondContact O-CG 3.18Å; D91-Q93 PolarHBondContact O-N 3.04Å; Q93-L118 WeakPolarHBondContact O-CD1 3.39Å; Q93-K119 PolarHBondContact O-N 3Å; Q93-K120 PolarHBondContact O-N 3.02Å
94	W	98.8	Very high	95.4	Very high	75 Å²	75	46.3 Å²	46.3	28%	0.284	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.9	-179.2	-59.7	1.6	0	0	0	110.5	K69 Y70 L71 K120	K69-W94 PolarHBondContact O-N 2.77Å; Y70-W94 HydrophobicContact CD1-CB 3.96Å; Y70-W94 AromaticContact CD1-CD2 3.57Å; Y70-W94 HydrophobicContact CD1-CD2 3.57Å; Y70-W94 AromaticContact CD1-CE3 3.82Å; Y70-W94 HydrophobicContact CD1-CE3 3.82Å; Y70-W94 AromaticContact CD1-CG 3.65Å; Y70-W94 HydrophobicContact CD1-CG 3.65Å; Y70-W94 AromaticContact CE1-CD2 3.94Å; Y70-W94 HydrophobicContact CE1-CD2 3.94Å; Y70-W94 AromaticContact CE1-CE2 3.99Å; Y70-W94 HydrophobicContact CE1-CE3 4.4Å; Y70-W94 HydrophobicContact CE1-CG 4.14Å; Y70-W94 HydrophobicContact CE1-CZ2 4.5Å; L71-W94 PolarHBondContact N-O 3.3Å; W94-K120 HydrophobicContact CB-CB 4.36Å; W94-K120 HydrophobicContact CD2-CD 4.09Å; W94-K120 HydrophobicContact CD2-CG 4.49Å; W94-K120 HydrophobicContact CG-CB 4.04Å; W94-K120 HydrophobicContact CG-CD 4.26Å; W94-K120 HydrophobicContact CG-CG 4.17Å; W94-K120 HydrophobicContact CZ2-CD 4.22Å
95	L	98.6	Very high	95.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	110.7	173	177.1	56.1	0	0	0	108.8	L71 L73 F86 L92 L97 F112 L115 L118 K120 L121 H122	L71-L95 HydrophobicContact CB-CD1 4.32Å; L71-L95 HydrophobicContact CD2-CD1 3.9Å; L71-L95 HydrophobicContact CG-CD1 4.17Å; L73-L95 HydrophobicContact CD1-CD1 4.34Å; F86-L95 HydrophobicContact CE1-CD1 4.48Å; F86-L95 HydrophobicContact CE1-CD2 4.39Å; F86-L95 HydrophobicContact CE2-CD2 4.03Å; F86-L95 HydrophobicContact CZ-CD1 4.24Å; F86-L95 HydrophobicContact CZ-CD2 3.72Å; L92-L95 HydrophobicContact CD2-CB 4Å; L92-L95 HydrophobicContact CD2-CD1 4.37Å; L92-L95 HydrophobicContact CD2-CD2 4.47Å; L95-L97 HydrophobicContact CD1-CD1 4.07Å; L95-L97 HydrophobicContact CD1-CG 4.01Å; L95-L97 HydrophobicContact CD2-CD1 3.92Å; L95-L97 HydrophobicContact CG-CD1 3.82Å; L95-L97 HydrophobicContact CG-CG 4.12Å; L95-F112 HydrophobicContact CD2-CD1 4.24Å; L95-F112 HydrophobicContact CD2-CE1 3.93Å; L95-L115 HydrophobicContact CD2-CD1 3.98Å; L95-L118 HydrophobicContact CB-CD1 3.84Å; L95-K120 PolarHBondContact N-O 3.31Å; L95-L121 HydrophobicContact CB-CD1 4.03Å; L95-L121 HydrophobicContact CD2-CD1 3.86Å; L95-L121 HydrophobicContact CG-CD1 3.97Å; L95-H122 PolarHBondContact O-N 3.38Å
96	I	98.8	Very high	95.8	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.056	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	109.3	-175.9	-45.1	-59.1	0	0	0	109.1	L71 Y72 L73 R74 H122	L71-I96 PolarHBondContact O-N 3.35Å; Y72-I96 HydrophobicContact CD1-CB 4.14Å; Y72-I96 HydrophobicContact CD1-CG1 3.78Å; Y72-I96 HydrophobicContact CE1-CG1 3.96Å; L73-I96 WeakPolarHBondContact CA-O 3.48Å; L73-I96 WeakPolarHBondContact CB-O 3.25Å; L73-I96 PolarHBondContact N-O 2.86Å; R74-I96 HydrophobicContact CG-CB 4.46Å; R74-I96 HydrophobicContact CG-CG2 3.57Å; I96-H122 HydrophobicContact CD1-CB 3.99Å; I96-H122 HydrophobicContact CG2-CB 4.22Å
97	L	98.6	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.			trans	-118.7	20.7	-175.5	-72.8	161.7	0	0	0	112.1	V61 L73 I78 I81 L95 N100 L102 H122 I123 N126	V61-L97 HydrophobicContact CG2-CD2 4.49Å; L73-L97 HydrophobicContact CB-CD2 3.85Å; L73-L97 HydrophobicContact CD1-CD2 3.67Å; L73-L97 HydrophobicContact CG-CD2 4.42Å; I78-L97 HydrophobicContact CD1-CD2 4.28Å; I81-L97 HydrophobicContact CD1-CD1 4.12Å; L95-L97 HydrophobicContact CD1-CD1 4.07Å; L95-L97 HydrophobicContact CD1-CG 4.01Å; L95-L97 HydrophobicContact CD2-CD1 3.92Å; L95-L97 HydrophobicContact CG-CD1 3.82Å; L95-L97 HydrophobicContact CG-CG 4.12Å; L97-N100 PolarHBondContact O-ND2 3.19Å; L97-L102 HydrophobicContact CB-CD1 4.29Å; L97-L102 HydrophobicContact CD1-CD1 4.21Å; L97-H122 WeakPolarHBondContact CB-O 3.33Å; L97-H122 PolarHBondContact N-O 2.64Å; L97-I123 HydrophobicContact CB-CG1 4.4Å; L97-I123 HydrophobicContact CB-CG2 4.33Å; L97-I123 HydrophobicContact CD1-CG1 4.4Å; L97-N126 PolarHBondContact O-ND2 3.35Å
98	D	98.8	Very high	96.2	Very high	14 Å²	14	47.1 Å²	47.1	8%	0.075	24%	0.242	C	C	.	.			trans	-59.8	147.3	-176.5	-64.8	-12.3	0	0	0	112.2	R74 N75 N100 H122 I123 N124	R74-D98 VanDerWaalsContact CA-O 3.24Å; R74-D98 WeakPolarHBondContact CA-O 3.19Å; R74-D98 HydrophobicContact CG-CB 4.29Å; N75-D98 PolarHBondContact N-O 2.92Å; N75-D98 VanDerWaalsContact N-O 3.1Å; D98-N100 PolarHBondContact O-ND2 3Å; D98-H122 VanDerWaalsContact OD1-C 3.23Å; D98-H122 WeakPolarHBondContact OD1-CB 3.42Å; D98-H122 IonicContact OD2-ND1 3.77Å; D98-I123 PolarHBondContact OD1-N 3.42Å; D98-N124 CarbonylContact C-O 3.47Å; D98-N124 VanDerWaalsContact CA-O 3.31Å; D98-N124 WeakPolarHBondContact CA-O 3.06Å; D98-N124 HydrophobicContact CB-CB 4.24Å; D98-N124 WeakPolarHBondContact OD1-CB 3.5Å; D98-N124 PolarHBondContact OD1-N 3.41Å; D98-N124 PolarHBondContact OD1-ND2 2.93Å; D98-N124 VanDerWaalsContact OD1-ND2 3.15Å; D98-N124 PolarHBondContact OD2-ND2 2.99Å; D98-N124 VanDerWaalsContact OD2-ND2 3.1Å
99	H	98.8	Very high	96.3	Very high	65 Å²	65	43.5 Å²	43.5	30%	0.301	23%	0.234	S	C	.	.	S	Bend	trans	55.8	64.6	178.3	-61.1	90.4	0	0	0	112.3	N75 N76 N124 Y125	N75-H99 VanDerWaalsContact CA-O 3.31Å; N75-H99 WeakPolarHBondContact CA-O 3.42Å; N75-H99 PolarHBondContact N-O 2.75Å; N75-H99 WeakPolarHBondContact OD1-CB 3.33Å; N76-H99 PolarHBondContact N-O 3.34Å; H99-N124 PolarHBondContact N-O 2.95Å; H99-Y125 WeakPolarHBondContact CA-O 3.24Å; H99-Y125 AromaticContact CD2-CG 3.68Å; H99-Y125 AromaticContact CE1-CD2 3.3Å; H99-Y125 WeakPolarHBondContact CE1-CD2 3.45Å; H99-Y125 AromaticContact CE1-CE2 3.64Å; H99-Y125 AromaticContact CE1-CG 3.78Å; H99-Y125 AromaticContact ND1-CD2 3.86Å; H99-Y125 AromaticContact NE2-CD1 3.77Å; H99-Y125 AromaticContact NE2-CD2 3.39Å; H99-Y125 WeakPolarHBondContact NE2-CD2 3.41Å; H99-Y125 AromaticContact NE2-CE2 3.74Å; H99-Y125 AromaticContact NE2-CG 3.4Å
100	N	98.8	Very high	96.2	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.043	26%	0.263	C	S	.	.	S	Bend	trans	-133.7	-168.7	175.5	-85.9	-73.5	0	0	0	109.8	L73 N76 I78 L97 D98 Y125 N126	L73-N100 PolarHBondContact O-ND2 3.21Å; N76-N100 WeakPolarHBondContact CA-OD1 3.28Å; N76-N100 WeakPolarHBondContact CB-OD1 3.47Å; N76-N100 PolarHBondContact O-OD1 3Å; I78-N100 HydrophobicContact CB-CB 4.32Å; I78-N100 VanDerWaalsContact CB-OD1 3.25Å; I78-N100 WeakPolarHBondContact CB-OD1 3.24Å; I78-N100 WeakPolarHBondContact CG1-OD1 3.4Å; I78-N100 PolarHBondContact N-OD1 3.02Å; L97-N100 PolarHBondContact O-ND2 3.19Å; D98-N100 PolarHBondContact O-ND2 3Å; N100-Y125 PolarHBondContact N-O 3.08Å; N100-N126 WeakPolarHBondContact CA-OD1 3.21Å; N100-N126 WeakPolarHBondContact CB-OD1 3.36Å; N100-N126 PolarHBondContact O-OD1 2.67Å
101	L	98.6	Very high	96.4	Very high	85 Å²	85	47.4 Å²	47.4	45%	0.445	24%	0.238	S	C	.	.			trans	-116.4	21.3	-174.8	-59.1	176.3	0	0	0	112.4	Q77 I78 D79 N126	Q77-L101 HydrophobicContact CB-CD1 4.23Å; I78-L101 CarbonylContact O-C 3.56Å; I78-L101 WeakPolarHBondContact O-CA 3.32Å; I78-L101 PolarHBondContact O-N 3.37Å; D79-L101 HydrophobicContact CB-CB 3.94Å; L101-N126 PolarHBondContact N-OD1 2.94Å
102	L	98.3	Very high	96.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.			trans	-63.6	136.4	-174	-67.2	169.7	0	0	0	111.8	I78 I81 L97 I123 N126 N127 L128	I78-L102 HydrophobicContact CG2-CD2 3.94Å; I78-L102 PolarHBondContact O-N 3Å; I81-L102 HydrophobicContact CD1-CD1 4.15Å; I81-L102 HydrophobicContact CD1-CD2 4.13Å; I81-L102 HydrophobicContact CG1-CD2 3.74Å; L97-L102 HydrophobicContact CB-CD1 4.29Å; L97-L102 HydrophobicContact CD1-CD1 4.21Å; L102-I123 HydrophobicContact CD1-CG2 3.77Å; L102-N126 HydrophobicContact CB-CB 4.31Å; L102-N126 WeakPolarHBondContact CB-OD1 3.26Å; L102-N126 WeakPolarHBondContact CG-OD1 3.39Å; L102-N126 PolarHBondContact N-OD1 3.07Å; L102-N127 CarbonylContact O-C 3.31Å; L102-N127 VanDerWaalsContact O-C 3.27Å; L102-N127 VanDerWaalsContact O-CA 3.26Å; L102-N127 WeakPolarHBondContact O-CA 3.28Å; L102-N127 WeakPolarHBondContact O-CB 3.45Å; L102-N127 PolarHBondContact O-N 2.94Å; L102-L128 HydrophobicContact CB-CD2 4.42Å; L102-L128 PolarHBondContact O-N 3.19Å
103	E	97.3	Very high	96	Very high	65 Å²	65	46.6 Å²	46.6	30%	0.304	24%	0.237	S	C	.	.			trans	-129.7	151.5	171.4	58.3	177.4	-141.8	0	0	109.8	S105 K106	E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 VanDerWaalsContact CD-OG 3.29Å; E103-S105 WeakPolarHBondContact CG-OG 3.41Å; E103-S105 PolarHBondContact O-N 3.13Å; E103-S105 PolarHBondContact OE1-OG 3.35Å; E103-K106 HydrophobicContact CG-CB 3.89Å; E103-K106 HydrophobicContact CG-CD 3.7Å; E103-K106 HydrophobicContact CG-CG 3.76Å; E103-K106 PolarHBondContact O-N 3.22Å; E103-K106 VanDerWaalsContact O-N 3.08Å; E103-K106 WeakPolarHBondContact OE1-CD 3.44Å; E103-K106 WeakPolarHBondContact OE1-CE 3.07Å; E103-K106 VanDerWaalsContact OE1-CG 3.31Å; E103-K106 WeakPolarHBondContact OE1-CG 3.47Å; E103-K106 IonicContact OE1-NZ 3.31Å
104	N	96.3	Very high	95.6	Very high	42 Å²	42	48 Å²	48	23%	0.225	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-57	-38	-174.5	-65.4	88.7	0	0	0	113.4	K106 I107 L128 T129 E130	N104-K106 PolarHBondContact O-N 3.09Å; N104-I107 PolarHBondContact O-N 2.94Å; N104-L128 WeakPolarHBondContact OD1-CA 3.32Å; N104-T129 PolarHBondContact OD1-N 3.14Å; N104-T129 PolarHBondContact OD1-OG1 3.22Å; N104-E130 PolarHBondContact ND2-O 2.8Å; N104-E130 PolarHBondContact OD1-N 2.03Å; N104-E130 VanDerWaalsContact OD1-N 3.08Å; N104-E130 PolarHBondContact OD1-O 3.28Å
105	S	96	Very high	95.5	Very high	96 Å²	96	44.4 Å²	44.4	67%	0.671	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-61.9	-23.4	179.6	34.7	0	0	0	0	114.2	E103	E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 VanDerWaalsContact CD-OG 3.29Å; E103-S105 WeakPolarHBondContact CG-OG 3.41Å; E103-S105 PolarHBondContact O-N 3.13Å; E103-S105 PolarHBondContact OE1-OG 3.35Å
106	K	96.7	Very high	95.3	Very high	70 Å²	70	52.1 Å²	52.1	30%	0.304	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-103.9	-0.1	-175.7	-72.9	-177.8	-176.4	175.7	0	113.5	D79 H80 I81 E103 N104	D79-K106 HydrophobicContact CB-CD 4.38Å; D79-K106 WeakPolarHBondContact O-CB 3.22Å; D79-K106 WeakPolarHBondContact O-CD 3.31Å; D79-K106 IonicContact OD2-NZ 3.02Å; D79-K106 PolarHBondContact OD2-NZ 3.37Å; H80-K106 WeakPolarHBondContact CA-O 3.42Å; H80-K106 HydrophobicContact CB-CB 3.73Å; H80-K106 HydrophobicContact CB-CD 4.38Å; H80-K106 HydrophobicContact CB-CG 4.41Å; H80-K106 WeakPolarHBondContact CB-O 3.24Å; I81-K106 PolarHBondContact N-O 2.81Å; E103-K106 HydrophobicContact CG-CB 3.89Å; E103-K106 HydrophobicContact CG-CD 3.7Å; E103-K106 HydrophobicContact CG-CG 3.76Å; E103-K106 PolarHBondContact O-N 3.22Å; E103-K106 VanDerWaalsContact O-N 3.08Å; E103-K106 WeakPolarHBondContact OE1-CD 3.44Å; E103-K106 WeakPolarHBondContact OE1-CE 3.07Å; E103-K106 VanDerWaalsContact OE1-CG 3.31Å; E103-K106 WeakPolarHBondContact OE1-CG 3.47Å; E103-K106 IonicContact OE1-NZ 3.31Å; N104-K106 PolarHBondContact O-N 3.09Å
107	I	95.9	Very high	95.2	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.138	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-92.4	102.5	170.2	-59.6	172.9	0	0	0	107.3	I81 N104 V111 F112 L128 V132	I81-I107 HydrophobicContact CB-CG2 4.47Å; I81-I107 HydrophobicContact CD1-CG1 4.39Å; I81-I107 HydrophobicContact CG1-CG1 4.47Å; N104-I107 PolarHBondContact O-N 2.94Å; I107-V111 HydrophobicContact CG2-CG2 3.83Å; I107-F112 HydrophobicContact CD1-CE2 4.47Å; I107-F112 HydrophobicContact CG2-CE2 3.98Å; I107-L128 HydrophobicContact CD1-CD2 3.93Å; I107-V132 HydrophobicContact CD1-CG1 3.82Å
108	K	91.6	Very high	95.2	Very high	110 Å²	110	56.6 Å²	56.6	48%	0.478	28%	0.283	S	S	.	.			trans	-89.1	137	-173.9	-62.3	178.6	-168.1	152.3	0	111.3	I81 D82 E83 V111	I81-K108 PolarHBondContact O-N 2.98Å; D82-K108 IonicContact OD1-NZ 3.14Å; D82-K108 PolarHBondContact OD1-NZ 3.42Å; E83-K108 HydrophobicContact CB-CB 4.37Å; K108-V111 WeakPolarHBondContact O-CG1 3.07Å
109	G	87.8	Confident	95.2	Very high	46 Å²	46	59.3 Å²	59.3	47%	0.474	29%	0.294	S	S	.	.	S	Bend	trans	69.5	-167.3	175	0	0	0	0	0	113.9	V111	G109-V111 PolarHBondContact O-N 2.78Å
110	R	89.9	Confident	95.2	Very high	172 Å²	172	59.1 Å²	59.1	65%	0.649	29%	0.293	S	S	*	.	S	Bend	trans	-98.8	49.2	-177.3	-59.4	-176.3	179.7	-156.4	-0.3	112	F112 S113	R110-F112 PolarHBondContact O-N 3.47Å; R110-S113 WeakPolarHBondContact CB-OG 3.26Å; R110-S113 PolarHBondContact O-N 3Å; R110-S113 VanDerWaalsContact O-N 3.14Å; R110-S113 PolarHBondContact O-OG 3.36Å
111	V	92.9	Very high	95.2	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-57	-43.9	-166.9	-71.5	0	0	0	0	113.7	I81 F86 I107 K108 G109 S113 K114	I81-V111 HydrophobicContact CG2-CB 4.47Å; I81-V111 HydrophobicContact CG2-CG1 4.39Å; I81-V111 HydrophobicContact CG2-CG2 4.08Å; F86-V111 HydrophobicContact CD2-CB 4.04Å; I107-V111 HydrophobicContact CG2-CG2 3.83Å; K108-V111 WeakPolarHBondContact O-CG1 3.07Å; G109-V111 PolarHBondContact O-N 2.78Å; V111-S113 VanDerWaalsContact C-N 3.31Å; V111-S113 PolarHBondContact O-N 2.92Å; V111-K114 WeakPolarHBondContact O-CB 3.19Å; V111-K114 PolarHBondContact O-N 3.29Å
112	F	94	Very high	95.2	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.022	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-68.1	-28.6	-179	-56.5	-68	0	0	0	113.5	I81 L95 I107 R110 K114 L115 L121 I123 V132 L135	I81-F112 HydrophobicContact CD1-CE1 4.36Å; I81-F112 HydrophobicContact CD1-CZ 3.84Å; L95-F112 HydrophobicContact CD2-CD1 4.24Å; L95-F112 HydrophobicContact CD2-CE1 3.93Å; I107-F112 HydrophobicContact CD1-CE2 4.47Å; I107-F112 HydrophobicContact CG2-CE2 3.98Å; R110-F112 PolarHBondContact O-N 3.47Å; F112-K114 PolarHBondContact O-N 2.94Å; F112-L115 HydrophobicContact CD1-CD1 4.34Å; F112-L115 WeakPolarHBondContact O-CB 3.33Å; F112-L115 PolarHBondContact O-N 3.4Å; F112-L121 HydrophobicContact CD1-CD1 4.17Å; F112-L121 HydrophobicContact CD1-CD2 3.96Å; F112-L121 HydrophobicContact CE1-CD1 3.96Å; F112-L121 HydrophobicContact CE1-CD2 4.25Å; F112-L121 HydrophobicContact CG-CD2 4.31Å; F112-I123 HydrophobicContact CE1-CD1 4.26Å; F112-I123 HydrophobicContact CZ-CD1 3.86Å; F112-V132 HydrophobicContact CD2-CB 3.92Å; F112-V132 HydrophobicContact CD2-CG1 4.49Å; F112-V132 HydrophobicContact CD2-CG2 4.32Å; F112-V132 HydrophobicContact CE2-CB 3.65Å; F112-V132 HydrophobicContact CE2-CG1 3.74Å; F112-V132 HydrophobicContact CE2-CG2 4.16Å; F112-V132 HydrophobicContact CZ-CB 4.5Å; F112-V132 HydrophobicContact CZ-CG1 4.35Å; F112-L135 HydrophobicContact CB-CD2 4.13Å
113	S	91.1	Very high	95.2	Very high	44 Å²	44	55.8 Å²	55.8	31%	0.308	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-68.1	-20	178.2	73.8	0	0	0	0	113.5	R110 V111 L115 P134	R110-S113 WeakPolarHBondContact CB-OG 3.26Å; R110-S113 PolarHBondContact O-N 3Å; R110-S113 VanDerWaalsContact O-N 3.14Å; R110-S113 PolarHBondContact O-OG 3.36Å; V111-S113 VanDerWaalsContact C-N 3.31Å; V111-S113 PolarHBondContact O-N 2.92Å; S113-L115 VanDerWaalsContact C-N 3.31Å; S113-P134 WeakPolarHBondContact CB-O 3.41Å; S113-P134 PolarHBondContact N-O 2.65Å
114	K	91.1	Very high	95.3	Very high	71 Å²	71	53.1 Å²	53.1	31%	0.309	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-74.1	-24.7	176.3	-60.3	-178.3	180	178.1	0	111.9	E83 V111 F112 K116	E83-K114 PolarHBondContact O-NZ 3.27Å; V111-K114 WeakPolarHBondContact O-CB 3.19Å; V111-K114 PolarHBondContact O-N 3.29Å; F112-K114 PolarHBondContact O-N 2.94Å; K114-K116 VanDerWaalsContact C-N 3.28Å; K114-K116 PolarHBondContact O-N 2.89Å
115	L	95.4	Very high	95.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	27%	0.266	C	S	.	.			trans	-81.1	68.8	-176.6	-56.7	173	0	0	0	111.1	F86 V89 L92 L95 F112 S113 Q117 L118 P136	F86-L115 HydrophobicContact CB-CD2 3.73Å; F86-L115 HydrophobicContact CB-CG 4.35Å; F86-L115 HydrophobicContact CD1-CD2 4.36Å; F86-L115 HydrophobicContact CD2-CD1 4.16Å; F86-L115 HydrophobicContact CG-CD1 4.36Å; F86-L115 HydrophobicContact CG-CD2 3.98Å; F86-L115 HydrophobicContact CG-CG 4.46Å; V89-L115 HydrophobicContact CB-CD2 4.19Å; V89-L115 HydrophobicContact CG1-CD2 3.97Å; L92-L115 HydrophobicContact CB-CD2 4.21Å; L92-L115 HydrophobicContact CD2-CD1 4.18Å; L92-L115 HydrophobicContact CD2-CD2 4Å; L95-L115 HydrophobicContact CD2-CD1 3.98Å; F112-L115 HydrophobicContact CD1-CD1 4.34Å; F112-L115 WeakPolarHBondContact O-CB 3.33Å; F112-L115 PolarHBondContact O-N 3.4Å; S113-L115 VanDerWaalsContact C-N 3.31Å; L115-Q117 PolarHBondContact O-N 3.24Å; L115-L118 HydrophobicContact CB-CB 3.85Å; L115-L118 HydrophobicContact CB-CD2 4.3Å; L115-L118 HydrophobicContact CB-CG 4.49Å; L115-L118 HydrophobicContact CD1-CD1 4.27Å; L115-L118 HydrophobicContact CD1-CD2 3.98Å; L115-L118 VanDerWaalsContact O-CB 3.26Å; L115-L118 WeakPolarHBondContact O-CB 3.23Å; L115-L118 PolarHBondContact O-N 3.38Å; L115-P136 VanDerWaalsContact O-CB 3.32Å; L115-P136 WeakPolarHBondContact O-CB 3.07Å; L115-P136 VanDerWaalsContact O-CG 3.28Å; L115-P136 WeakPolarHBondContact O-CG 3.45Å
116	K	94.9	Very high	95.5	Very high	161 Å²	161	50.5 Å²	50.5	70%	0.7	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.3	-169.8	-64.8	176.8	-175.5	174.7	0	115.5	K114 S138	K114-K116 VanDerWaalsContact C-N 3.28Å; K114-K116 PolarHBondContact O-N 2.89Å; K116-S138 WeakPolarHBondContact O-CB 3.32Å; K116-S138 PolarHBondContact O-OG 2.85Å; K116-S138 VanDerWaalsContact O-OG 3.07Å
117	Q	97.3	Very high	95.6	Very high	105 Å²	105	49.9 Å²	49.9	49%	0.491	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	5.1	179.1	-59.6	-63.6	-7.7	0	0	112.7	T90 L92 L115 K119	T90-Q117 WeakPolarHBondContact O-CG 3.44Å; L92-Q117 CarbonylContact O-C 3.26Å; L92-Q117 VanDerWaalsContact O-C 3.26Å; L115-Q117 PolarHBondContact O-N 3.24Å; Q117-K119 PolarHBondContact O-N 3.47Å
118	L	98.2	Very high	95.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.229	C	C	.	.			trans	-66.7	123.4	-176.3	-165	73.2	0	0	0	110	L92 Q93 L95 L115 L121 P136 S138 L139	L92-L118 HydrophobicContact CD2-CD1 4.31Å; L92-L118 HydrophobicContact CG-CD1 4.32Å; L92-L118 VanDerWaalsContact O-CA 3.32Å; L92-L118 WeakPolarHBondContact O-CA 3.43Å; L92-L118 PolarHBondContact O-N 2.8Å; Q93-L118 WeakPolarHBondContact O-CD1 3.39Å; L95-L118 HydrophobicContact CB-CD1 3.84Å; L115-L118 HydrophobicContact CB-CB 3.85Å; L115-L118 HydrophobicContact CB-CD2 4.3Å; L115-L118 HydrophobicContact CB-CG 4.49Å; L115-L118 HydrophobicContact CD1-CD1 4.27Å; L115-L118 HydrophobicContact CD1-CD2 3.98Å; L115-L118 VanDerWaalsContact O-CB 3.26Å; L115-L118 WeakPolarHBondContact O-CB 3.23Å; L115-L118 PolarHBondContact O-N 3.38Å; L118-L121 HydrophobicContact CD2-CB 3.98Å; L118-L121 HydrophobicContact CD2-CD1 4.33Å; L118-L121 HydrophobicContact CD2-CD2 4.36Å; L118-L121 HydrophobicContact CD2-CG 4.46Å; L118-P136 HydrophobicContact CB-CG 3.8Å; L118-P136 HydrophobicContact CD2-CG 4.32Å; L118-S138 PolarHBondContact N-OG 3.38Å; L118-S138 CarbonylContact O-C 3.13Å; L118-S138 WeakPolarHBondContact O-CB 3.29Å; L118-S138 PolarHBondContact O-OG 2.98Å; L118-L139 HydrophobicContact CD2-CD1 4.07Å; L118-L139 HydrophobicContact CG-CD1 4.11Å; L118-L139 VanDerWaalsContact O-CA 3.3Å; L118-L139 WeakPolarHBondContact O-CA 3.33Å; L118-L139 PolarHBondContact O-N 3.1Å; L118-L139 VanDerWaalsContact O-N 3.17Å
119	K	98.6	Very high	96.1	Very high	71 Å²	71	46.6 Å²	46.6	31%	0.309	23%	0.226	S	C	.	.			trans	-105.2	-37.2	177.3	-64.8	-176.4	173.3	-170.6	0	111.7	Q93 Q117 E140 D141	Q93-K119 PolarHBondContact O-N 3Å; Q117-K119 PolarHBondContact O-N 3.47Å; K119-E140 HydrophobicContact CB-CG 4.5Å; K119-E140 WeakPolarHBondContact CD-OE1 3.42Å; K119-E140 IonicContact NZ-OE1 2.74Å; K119-E140 WeakPolarHBondContact O-CA 3.39Å; K119-E140 PolarHBondContact O-N 3.4Å; K119-D141 PolarHBondContact O-N 2.88Å
120	K	98.8	Very high	96.5	Very high	61 Å²	61	48.2 Å²	48.2	27%	0.265	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.7	-178.3	-56	-159.3	174.9	-165.3	0	111.3	Q93 W94 L95 D141	Q93-K120 PolarHBondContact O-N 3.02Å; W94-K120 HydrophobicContact CB-CB 4.36Å; W94-K120 HydrophobicContact CD2-CD 4.09Å; W94-K120 HydrophobicContact CD2-CG 4.49Å; W94-K120 HydrophobicContact CG-CB 4.04Å; W94-K120 HydrophobicContact CG-CD 4.26Å; W94-K120 HydrophobicContact CG-CG 4.17Å; W94-K120 HydrophobicContact CZ2-CD 4.22Å; L95-K120 PolarHBondContact N-O 3.31Å; K120-D141 WeakPolarHBondContact CA-O 3.49Å; K120-D141 HydrophobicContact CB-CB 4.37Å; K120-D141 HydrophobicContact CD-CB 4.31Å; K120-D141 HydrophobicContact CG-CB 3.94Å; K120-D141 IonicContact NZ-OD2 3.97Å
121	L	98.7	Very high	96.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	110.1	174	-179.2	57.5	0	0	0	109.4	L95 F112 L118 I123 V132 L135 L139 D141 L142 Q143	L95-L121 HydrophobicContact CB-CD1 4.03Å; L95-L121 HydrophobicContact CD2-CD1 3.86Å; L95-L121 HydrophobicContact CG-CD1 3.97Å; F112-L121 HydrophobicContact CD1-CD1 4.17Å; F112-L121 HydrophobicContact CD1-CD2 3.96Å; F112-L121 HydrophobicContact CE1-CD1 3.96Å; F112-L121 HydrophobicContact CE1-CD2 4.25Å; F112-L121 HydrophobicContact CG-CD2 4.31Å; L118-L121 HydrophobicContact CD2-CB 3.98Å; L118-L121 HydrophobicContact CD2-CD1 4.33Å; L118-L121 HydrophobicContact CD2-CD2 4.36Å; L118-L121 HydrophobicContact CD2-CG 4.46Å; L121-I123 HydrophobicContact CD1-CD1 3.97Å; L121-I123 HydrophobicContact CD1-CG1 3.9Å; L121-I123 HydrophobicContact CD2-CD1 4.18Å; L121-I123 HydrophobicContact CG-CD1 4.07Å; L121-I123 HydrophobicContact CG-CG1 4.04Å; L121-V132 HydrophobicContact CD2-CG2 4.02Å; L121-L135 HydrophobicContact CD2-CD2 3.63Å; L121-L139 HydrophobicContact CB-CD1 3.86Å; L121-D141 PolarHBondContact N-O 3.14Å; L121-L142 HydrophobicContact CB-CD1 4.21Å; L121-L142 HydrophobicContact CD2-CD1 4.17Å; L121-L142 HydrophobicContact CG-CD1 4.27Å; L121-Q143 PolarHBondContact O-N 3.37Å
122	H	98.8	Very high	96.7	Very high	24 Å²	24	41 Å²	41	11%	0.111	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123	177.3	-58.5	-163.3	0	0	0	108.8	L95 I96 L97 D98 D141 Q143	L95-H122 PolarHBondContact O-N 3.38Å; I96-H122 HydrophobicContact CD1-CB 3.99Å; I96-H122 HydrophobicContact CG2-CB 4.22Å; L97-H122 WeakPolarHBondContact CB-O 3.33Å; L97-H122 PolarHBondContact N-O 2.64Å; D98-H122 VanDerWaalsContact OD1-C 3.23Å; D98-H122 WeakPolarHBondContact OD1-CB 3.42Å; D98-H122 IonicContact OD2-ND1 3.77Å; H122-D141 IonicContact NE2-OD2 3.37Å; H122-Q143 HydrophobicContact CB-CB 4.23Å; H122-Q143 PolarHBondContact CE1-NE2 2.93Å; H122-Q143 PolarHBondContact CE1-OE1 2.84Å; H122-Q143 PolarHBondContact ND1-OE1 3.49Å; H122-Q143 PolarHBondContact NE2-NE2 2.95Å
123	I	98.5	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.			trans	-135.7	44.7	176.2	-40	179	0	0	0	108.3	L97 D98 L102 F112 L121 N126 L128 V132 Q143 L144 N147	L97-I123 HydrophobicContact CB-CG1 4.4Å; L97-I123 HydrophobicContact CB-CG2 4.33Å; L97-I123 HydrophobicContact CD1-CG1 4.4Å; D98-I123 PolarHBondContact OD1-N 3.42Å; L102-I123 HydrophobicContact CD1-CG2 3.77Å; F112-I123 HydrophobicContact CE1-CD1 4.26Å; F112-I123 HydrophobicContact CZ-CD1 3.86Å; L121-I123 HydrophobicContact CD1-CD1 3.97Å; L121-I123 HydrophobicContact CD1-CG1 3.9Å; L121-I123 HydrophobicContact CD2-CD1 4.18Å; L121-I123 HydrophobicContact CG-CD1 4.07Å; L121-I123 HydrophobicContact CG-CG1 4.04Å; I123-N126 HydrophobicContact CG2-CB 4.17Å; I123-L128 HydrophobicContact CB-CD1 4.37Å; I123-L128 HydrophobicContact CG2-CD1 3.97Å; I123-V132 HydrophobicContact CD1-CB 4.48Å; I123-V132 HydrophobicContact CD1-CG1 3.97Å; I123-V132 HydrophobicContact CD1-CG2 3.81Å; I123-Q143 PolarHBondContact N-O 3.39Å; I123-L144 HydrophobicContact CB-CD2 3.94Å; I123-L144 HydrophobicContact CD1-CD2 4.38Å; I123-L144 HydrophobicContact CG1-CD2 4.32Å; I123-N147 PolarHBondContact O-ND2 3.3Å
124	N	98.8	Very high	96.5	Very high	9 Å²	9	43.9 Å²	43.9	5%	0.048	22%	0.224	C	C	.	.			trans	-69.2	155.9	178.9	-57.7	-50.1	0	0	0	110.4	D98 H99 N126 Q143 L144 T145	D98-N124 CarbonylContact C-O 3.47Å; D98-N124 VanDerWaalsContact CA-O 3.31Å; D98-N124 WeakPolarHBondContact CA-O 3.06Å; D98-N124 HydrophobicContact CB-CB 4.24Å; D98-N124 WeakPolarHBondContact OD1-CB 3.5Å; D98-N124 PolarHBondContact OD1-N 3.41Å; D98-N124 PolarHBondContact OD1-ND2 2.93Å; D98-N124 VanDerWaalsContact OD1-ND2 3.15Å; D98-N124 PolarHBondContact OD2-ND2 2.99Å; D98-N124 VanDerWaalsContact OD2-ND2 3.1Å; H99-N124 PolarHBondContact N-O 2.95Å; N124-N126 PolarHBondContact O-N 3.1Å; N124-N126 PolarHBondContact O-ND2 2.87Å; N124-Q143 WeakPolarHBondContact ND2-CB 3.41Å; N124-Q143 PolarHBondContact ND2-OE1 2.76Å; N124-Q143 VanDerWaalsContact OD1-CB 3.24Å; N124-Q143 WeakPolarHBondContact OD1-CB 3.42Å; N124-Q143 PolarHBondContact OD1-O 2.98Å; N124-L144 PolarHBondContact OD1-N 3.23Å; N124-T145 CarbonylContact C-O 3.54Å; N124-T145 VanDerWaalsContact CA-O 3.25Å; N124-T145 WeakPolarHBondContact CA-O 3.49Å; N124-T145 VanDerWaalsContact OD1-CB 3.27Å; N124-T145 WeakPolarHBondContact OD1-CB 3.29Å; N124-T145 PolarHBondContact OD1-N 3.35Å; N124-T145 PolarHBondContact OD1-OG1 2.98Å
125	Y	98.8	Very high	96.7	Very high	75 Å²	75	41.6 Å²	41.6	29%	0.294	22%	0.215	S	C	.	.	S	Bend	trans	52.5	57	174.1	-58.9	-89.6	0	0	0	112.7	H99 N100 T145 H146	H99-Y125 WeakPolarHBondContact CA-O 3.24Å; H99-Y125 AromaticContact CD2-CG 3.68Å; H99-Y125 AromaticContact CE1-CD2 3.3Å; H99-Y125 WeakPolarHBondContact CE1-CD2 3.45Å; H99-Y125 AromaticContact CE1-CE2 3.64Å; H99-Y125 AromaticContact CE1-CG 3.78Å; H99-Y125 AromaticContact ND1-CD2 3.86Å; H99-Y125 AromaticContact NE2-CD1 3.77Å; H99-Y125 AromaticContact NE2-CD2 3.39Å; H99-Y125 WeakPolarHBondContact NE2-CD2 3.41Å; H99-Y125 AromaticContact NE2-CE2 3.74Å; H99-Y125 AromaticContact NE2-CG 3.4Å; N100-Y125 PolarHBondContact N-O 3.08Å; Y125-T145 PolarHBondContact N-O 3.08Å; Y125-H146 VanDerWaalsContact CA-O 3.31Å; Y125-H146 WeakPolarHBondContact CA-O 3.31Å; Y125-H146 HydrophobicContact CD1-CB 3.41Å; Y125-H146 VanDerWaalsContact CD1-CB 3.41Å; Y125-H146 AromaticContact CD1-CG 3.74Å; Y125-H146 HydrophobicContact CD2-CB 4.33Å; Y125-H146 HydrophobicContact CE1-CB 3.56Å; Y125-H146 AromaticContact CE1-CD2 3.21Å; Y125-H146 WeakPolarHBondContact CE1-CD2 3.39Å; Y125-H146 AromaticContact CE1-CG 3.33Å; Y125-H146 AromaticContact CE1-ND1 3.94Å; Y125-H146 AromaticContact CE1-NE2 3.82Å; Y125-H146 HydrophobicContact CE2-CB 4.45Å; Y125-H146 HydrophobicContact CG-CB 3.84Å; Y125-H146 AromaticContact CZ-CD2 3.22Å; Y125-H146 AromaticContact CZ-CG 3.81Å; Y125-H146 AromaticContact CZ-NE2 3.92Å; Y125-H146 PolarHBondContact OH-CD2 3.27Å; Y125-H146 VanDerWaalsContact OH-CD2 3.22Å
126	N	98.7	Very high	96.7	Very high	7 Å²	7	42 Å²	42	4%	0.037	22%	0.218	C	C	.	.	S	Bend	trans	-129.3	-170.5	176.4	-86.2	-89.7	0	0	0	109.5	L97 N100 L101 L102 I123 N124 L128 N147	L97-N126 PolarHBondContact O-ND2 3.35Å; N100-N126 WeakPolarHBondContact CA-OD1 3.21Å; N100-N126 WeakPolarHBondContact CB-OD1 3.36Å; N100-N126 PolarHBondContact O-OD1 2.67Å; L101-N126 PolarHBondContact N-OD1 2.94Å; L102-N126 HydrophobicContact CB-CB 4.31Å; L102-N126 WeakPolarHBondContact CB-OD1 3.26Å; L102-N126 WeakPolarHBondContact CG-OD1 3.39Å; L102-N126 PolarHBondContact N-OD1 3.07Å; I123-N126 HydrophobicContact CG2-CB 4.17Å; N124-N126 PolarHBondContact O-N 3.1Å; N124-N126 PolarHBondContact O-ND2 2.87Å; N126-L128 HydrophobicContact CB-CG 4.46Å; N126-N147 WeakPolarHBondContact CA-OD1 3.39Å; N126-N147 WeakPolarHBondContact CB-OD1 3.3Å; N126-N147 PolarHBondContact N-OD1 3.49Å; N126-N147 PolarHBondContact O-OD1 2.77Å
127	N	98.4	Very high	96.7	Very high	57 Å²	57	41.5 Å²	41.5	31%	0.305	22%	0.215	S	C	.	.			trans	-109.2	26.7	-177.8	-79.9	-35.1	0	0	0	113.3	L102 T129 N147 K148	L102-N127 CarbonylContact O-C 3.31Å; L102-N127 VanDerWaalsContact O-C 3.27Å; L102-N127 VanDerWaalsContact O-CA 3.26Å; L102-N127 WeakPolarHBondContact O-CA 3.28Å; L102-N127 WeakPolarHBondContact O-CB 3.45Å; L102-N127 PolarHBondContact O-N 2.94Å; N127-T129 PolarHBondContact O-N 3.38Å; N127-N147 PolarHBondContact N-OD1 2.8Å; N127-K148 PolarHBondContact OD1-NZ 3.36Å
128	L	98.4	Very high	96.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.			trans	-67.4	133.3	-178.4	-58.4	176.5	0	0	0	111.7	L102 N104 I107 I123 N126 V132 L144 N147 K148 I149	L102-L128 HydrophobicContact CB-CD2 4.42Å; L102-L128 PolarHBondContact O-N 3.19Å; N104-L128 WeakPolarHBondContact OD1-CA 3.32Å; I107-L128 HydrophobicContact CD1-CD2 3.93Å; I123-L128 HydrophobicContact CB-CD1 4.37Å; I123-L128 HydrophobicContact CG2-CD1 3.97Å; N126-L128 HydrophobicContact CB-CG 4.46Å; L128-V132 HydrophobicContact CD1-CG1 4.01Å; L128-V132 HydrophobicContact CD2-CG1 4.38Å; L128-L144 HydrophobicContact CD1-CD2 4.03Å; L128-N147 HydrophobicContact CB-CB 4.19Å; L128-N147 VanDerWaalsContact CB-OD1 3.31Å; L128-N147 WeakPolarHBondContact CB-OD1 3.44Å; L128-N147 WeakPolarHBondContact CG-OD1 3.14Å; L128-N147 PolarHBondContact N-OD1 3.19Å; L128-K148 CarbonylContact O-C 3.35Å; L128-K148 WeakPolarHBondContact O-CA 3.5Å; L128-K148 WeakPolarHBondContact O-CB 3.06Å; L128-K148 PolarHBondContact O-N 2.91Å; L128-I149 HydrophobicContact CB-CD1 4.45Å; L128-I149 HydrophobicContact CB-CG1 4.11Å; L128-I149 PolarHBondContact O-N 3.48Å
129	T	97.9	Very high	96.7	Very high	69 Å²	69	37.5 Å²	37.5	42%	0.423	20%	0.199	S	C	.	.	S	Bend	trans	-102.3	-17.4	174.8	57	0	0	0	0	113.1	N104 N127 K148 I149 T150	N104-T129 PolarHBondContact OD1-N 3.14Å; N104-T129 PolarHBondContact OD1-OG1 3.22Å; N127-T129 PolarHBondContact O-N 3.38Å; T129-K148 HydrophobicContact CG2-CB 4.37Å; T129-I149 WeakPolarHBondContact O-CA 3.26Å; T129-T150 PolarHBondContact O-N 2.93Å; T129-T150 PolarHBondContact O-OG1 2.93Å
130	E	97.1	Very high	96.7	Very high	80 Å²	80	37.4 Å²	37.4	37%	0.374	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-135.9	155.3	173.8	-54.3	-170.3	170.8	0	0	108.9	N104 K151	N104-E130 PolarHBondContact ND2-O 2.8Å; N104-E130 PolarHBondContact OD1-N 2.03Å; N104-E130 VanDerWaalsContact OD1-N 3.08Å; N104-E130 PolarHBondContact OD1-O 3.28Å; E130-K151 CarbonylContact C-O 3.49Å; E130-K151 VanDerWaalsContact CA-O 3.3Å; E130-K151 WeakPolarHBondContact CA-O 3.33Å; E130-K151 HydrophobicContact CB-CB 4.49Å; E130-K151 HydrophobicContact CG-CB 4.12Å; E130-K151 HydrophobicContact CG-CD 4.48Å; E130-K151 WeakPolarHBondContact OE1-CD 3.3Å; E130-K151 IonicContact OE1-NZ 2.81Å; E130-K151 PolarHBondContact OE1-NZ 3.45Å
131	S	94.6	Very high	96.7	Very high	13 Å²	13	35.2 Å²	35.2	9%	0.091	19%	0.191	C	C	.	.			trans	-65.6	153.8	175.4	72.2	0	0	0	0	111.6	K151 G153	S131-K151 PolarHBondContact N-O 3.14Å; S131-G153 PolarHBondContact OG-N 3.03Å
132	V	93	Very high	96.7	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.055	19%	0.191	C	C	.	.			trans	-75.6	148.8	174.4	-67	0	0	0	0	112	I107 F112 L121 I123 L128 L135 L144	I107-V132 HydrophobicContact CD1-CG1 3.82Å; F112-V132 HydrophobicContact CD2-CB 3.92Å; F112-V132 HydrophobicContact CD2-CG1 4.49Å; F112-V132 HydrophobicContact CD2-CG2 4.32Å; F112-V132 HydrophobicContact CE2-CB 3.65Å; F112-V132 HydrophobicContact CE2-CG1 3.74Å; F112-V132 HydrophobicContact CE2-CG2 4.16Å; F112-V132 HydrophobicContact CZ-CB 4.5Å; F112-V132 HydrophobicContact CZ-CG1 4.35Å; L121-V132 HydrophobicContact CD2-CG2 4.02Å; I123-V132 HydrophobicContact CD1-CB 4.48Å; I123-V132 HydrophobicContact CD1-CG1 3.97Å; I123-V132 HydrophobicContact CD1-CG2 3.81Å; L128-V132 HydrophobicContact CD1-CG1 4.01Å; L128-V132 HydrophobicContact CD2-CG1 4.38Å; V132-L135 HydrophobicContact CG2-CD2 4.17Å; V132-L144 HydrophobicContact CG2-CD2 4.39Å
133	G	87.4	Confident	96.7	Very high	47 Å²	47	35.8 Å²	35.8	49%	0.485	19%	0.194	S	C	.	.			trans	173.7	170.2	175.4	0	0	0	0	0	113.6
134	P	92.8	Very high	96.7	Very high	61 Å²	61	35.8 Å²	35.8	40%	0.396	19%	0.194	S	C	.	.	S	Bend	cis	-69.1	144.2	2.5	-18.2	32.2	0	0	0	113.4	S113	S113-P134 WeakPolarHBondContact CB-O 3.41Å; S113-P134 PolarHBondContact N-O 2.65Å
135	L	95.4	Very high	96.7	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.12	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-97.6	151.5	179.7	-66.2	173.9	0	0	0	111.4	F112 L121 V132 L139 L142 F155 L158	F112-L135 HydrophobicContact CB-CD2 4.13Å; L121-L135 HydrophobicContact CD2-CD2 3.63Å; V132-L135 HydrophobicContact CG2-CD2 4.17Å; L135-L139 HydrophobicContact CB-CD2 4.3Å; L135-L139 HydrophobicContact CD1-CD2 3.85Å; L135-L139 HydrophobicContact CD2-CD2 4.39Å; L135-L139 HydrophobicContact CG-CD2 4.41Å; L135-L142 HydrophobicContact CD1-CD1 4.37Å; L135-L142 HydrophobicContact CD1-CD2 3.83Å; L135-F155 HydrophobicContact CD1-CD1 4.35Å; L135-F155 HydrophobicContact CD1-CE1 4.16Å; L135-L158 HydrophobicContact CB-CD1 3.99Å; L135-L158 HydrophobicContact CB-CD2 4.26Å; L135-L158 HydrophobicContact CD1-CD1 4.1Å
136	P	95.3	Very high	96.7	Very high	10 Å²	10	35.3 Å²	35.3	7%	0.065	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-76.3	145.3	179.5	31.4	-33.1	0	0	0	111.4	L115 L118 S138 L139 L158	L115-P136 VanDerWaalsContact O-CB 3.32Å; L115-P136 WeakPolarHBondContact O-CB 3.07Å; L115-P136 VanDerWaalsContact O-CG 3.28Å; L115-P136 WeakPolarHBondContact O-CG 3.45Å; L118-P136 HydrophobicContact CB-CG 3.8Å; L118-P136 HydrophobicContact CD2-CG 4.32Å; P136-S138 PolarHBondContact O-N 2.86Å; P136-S138 VanDerWaalsContact O-N 3.12Å; P136-L139 VanDerWaalsContact O-CB 3.3Å; P136-L139 WeakPolarHBondContact O-CB 3.23Å; P136-L139 PolarHBondContact O-N 2.93Å; P136-L139 VanDerWaalsContact O-N 3.1Å; P136-L158 WeakPolarHBondContact O-CD2 3.39Å
137	K	95.5	Very high	96.7	Very high	150 Å²	150	35.6 Å²	35.6	65%	0.652	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.9	-178.5	-63.5	-174.7	178.7	-179.2	0	114.4	L139	K137-L139 PolarHBondContact O-N 3.38Å
138	S	97.1	Very high	96.7	Very high	22 Å²	22	36.4 Å²	36.4	15%	0.154	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.6	175.2	54.3	0	0	0	0	113.4	K116 L118 P136 E140	K116-S138 WeakPolarHBondContact O-CB 3.32Å; K116-S138 PolarHBondContact O-OG 2.85Å; K116-S138 VanDerWaalsContact O-OG 3.07Å; L118-S138 PolarHBondContact N-OG 3.38Å; L118-S138 CarbonylContact O-C 3.13Å; L118-S138 WeakPolarHBondContact O-CB 3.29Å; L118-S138 PolarHBondContact O-OG 2.98Å; P136-S138 PolarHBondContact O-N 2.86Å; P136-S138 VanDerWaalsContact O-N 3.12Å; S138-E140 PolarHBondContact O-N 2.96Å
139	L	98.1	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.			trans	-66.8	131.7	-172.9	-162.4	73.3	0	0	0	111.4	L118 L121 L135 P136 K137 L142 N160 L161	L118-L139 HydrophobicContact CD2-CD1 4.07Å; L118-L139 HydrophobicContact CG-CD1 4.11Å; L118-L139 VanDerWaalsContact O-CA 3.3Å; L118-L139 WeakPolarHBondContact O-CA 3.33Å; L118-L139 PolarHBondContact O-N 3.1Å; L118-L139 VanDerWaalsContact O-N 3.17Å; L121-L139 HydrophobicContact CB-CD1 3.86Å; L135-L139 HydrophobicContact CB-CD2 4.3Å; L135-L139 HydrophobicContact CD1-CD2 3.85Å; L135-L139 HydrophobicContact CD2-CD2 4.39Å; L135-L139 HydrophobicContact CG-CD2 4.41Å; P136-L139 VanDerWaalsContact O-CB 3.3Å; P136-L139 WeakPolarHBondContact O-CB 3.23Å; P136-L139 PolarHBondContact O-N 2.93Å; P136-L139 VanDerWaalsContact O-N 3.1Å; K137-L139 PolarHBondContact O-N 3.38Å; L139-L142 HydrophobicContact CD2-CB 4.08Å; L139-L142 HydrophobicContact CD2-CD1 4.31Å; L139-N160 CarbonylContact O-C 3.25Å; L139-N160 VanDerWaalsContact O-C 3.25Å; L139-L161 HydrophobicContact CD2-CD1 4.14Å; L139-L161 HydrophobicContact CG-CD1 4.13Å; L139-L161 VanDerWaalsContact O-CA 3.31Å; L139-L161 WeakPolarHBondContact O-CA 3.33Å; L139-L161 PolarHBondContact O-N 3.49Å; L139-L161 VanDerWaalsContact O-N 3.15Å
140	E	98.6	Very high	96.7	Very high	69 Å²	69	36.1 Å²	36.1	32%	0.322	20%	0.195	S	C	.	.			trans	-115.7	-33.2	-176.8	-67.7	167.3	-161.5	0	0	111.5	K119 S138 N160 T162 F163	K119-E140 HydrophobicContact CB-CG 4.5Å; K119-E140 WeakPolarHBondContact CD-OE1 3.42Å; K119-E140 IonicContact NZ-OE1 2.74Å; K119-E140 WeakPolarHBondContact O-CA 3.39Å; K119-E140 PolarHBondContact O-N 3.4Å; S138-E140 PolarHBondContact O-N 2.96Å; E140-N160 WeakPolarHBondContact CA-O 3.5Å; E140-N160 HydrophobicContact CG-CB 4.2Å; E140-T162 PolarHBondContact O-N 3.38Å; E140-F163 PolarHBondContact O-N 3.4Å; E140-F163 VanDerWaalsContact O-N 3.08Å
141	D	98.8	Very high	96.7	Very high	14 Å²	14	37.8 Å²	37.8	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	119.5	-174.6	-171.7	-12.4	0	0	0	110.3	K119 K120 L121 H122 Q143 F163	K119-D141 PolarHBondContact O-N 2.88Å; K120-D141 WeakPolarHBondContact CA-O 3.49Å; K120-D141 HydrophobicContact CB-CB 4.37Å; K120-D141 HydrophobicContact CD-CB 4.31Å; K120-D141 HydrophobicContact CG-CB 3.94Å; K120-D141 IonicContact NZ-OD2 3.97Å; L121-D141 PolarHBondContact N-O 3.14Å; H122-D141 IonicContact NE2-OD2 3.37Å; D141-Q143 WeakPolarHBondContact OD1-CG 3.22Å; D141-Q143 PolarHBondContact OD1-NE2 3.05Å; D141-F163 HydrophobicContact CB-CB 4.46Å
142	L	98.6	Very high	96.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118	178.1	178.2	62.9	0	0	0	110.4	L121 L135 L139 L144 F155 L161 F163 I164 H165	L121-L142 HydrophobicContact CB-CD1 4.21Å; L121-L142 HydrophobicContact CD2-CD1 4.17Å; L121-L142 HydrophobicContact CG-CD1 4.27Å; L135-L142 HydrophobicContact CD1-CD1 4.37Å; L135-L142 HydrophobicContact CD1-CD2 3.83Å; L139-L142 HydrophobicContact CD2-CB 4.08Å; L139-L142 HydrophobicContact CD2-CD1 4.31Å; L142-L144 HydrophobicContact CD1-CD1 4.14Å; L142-L144 HydrophobicContact CD1-CD2 4.31Å; L142-L144 HydrophobicContact CD1-CG 3.99Å; L142-L144 HydrophobicContact CD2-CD1 4.07Å; L142-L144 HydrophobicContact CG-CD1 4.13Å; L142-L144 HydrophobicContact CG-CG 4.14Å; L142-F155 HydrophobicContact CD2-CE1 4.26Å; L142-F155 HydrophobicContact CD2-CE2 4.34Å; L142-F155 HydrophobicContact CD2-CZ 3.92Å; L142-L161 HydrophobicContact CB-CD1 4.02Å; L142-F163 PolarHBondContact N-O 3.01Å; L142-I164 WeakPolarHBondContact O-CA 3.38Å; L142-H165 PolarHBondContact O-N 3.05Å
143	Q	98.8	Very high	96.5	Very high	35 Å²	35	39.5 Å²	39.5	16%	0.164	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.9	178.2	-47.2	-166.2	-1.1	0	0	111.2	L121 H122 I123 N124 D141 H165	L121-Q143 PolarHBondContact O-N 3.37Å; H122-Q143 HydrophobicContact CB-CB 4.23Å; H122-Q143 PolarHBondContact CE1-NE2 2.93Å; H122-Q143 PolarHBondContact CE1-OE1 2.84Å; H122-Q143 PolarHBondContact ND1-OE1 3.49Å; H122-Q143 PolarHBondContact NE2-NE2 2.95Å; I123-Q143 PolarHBondContact N-O 3.39Å; N124-Q143 WeakPolarHBondContact ND2-CB 3.41Å; N124-Q143 PolarHBondContact ND2-OE1 2.76Å; N124-Q143 VanDerWaalsContact OD1-CB 3.24Å; N124-Q143 WeakPolarHBondContact OD1-CB 3.42Å; N124-Q143 PolarHBondContact OD1-O 2.98Å; D141-Q143 WeakPolarHBondContact OD1-CG 3.22Å; D141-Q143 PolarHBondContact OD1-NE2 3.05Å; Q143-H165 HydrophobicContact CB-CB 4.23Å; Q143-H165 HydrophobicContact CG-CB 4.25Å
144	L	98.6	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.			trans	-133.4	26.5	-177.9	-64.3	175.5	0	0	0	111.1	I123 N124 L128 V132 L142 N147 I149 H165 L166 N169	I123-L144 HydrophobicContact CB-CD2 3.94Å; I123-L144 HydrophobicContact CD1-CD2 4.38Å; I123-L144 HydrophobicContact CG1-CD2 4.32Å; N124-L144 PolarHBondContact OD1-N 3.23Å; L128-L144 HydrophobicContact CD1-CD2 4.03Å; V132-L144 HydrophobicContact CG2-CD2 4.39Å; L142-L144 HydrophobicContact CD1-CD1 4.14Å; L142-L144 HydrophobicContact CD1-CD2 4.31Å; L142-L144 HydrophobicContact CD1-CG 3.99Å; L142-L144 HydrophobicContact CD2-CD1 4.07Å; L142-L144 HydrophobicContact CG-CD1 4.13Å; L142-L144 HydrophobicContact CG-CG 4.14Å; L144-N147 PolarHBondContact O-ND2 3.25Å; L144-N147 VanDerWaalsContact O-ND2 3.11Å; L144-I149 HydrophobicContact CB-CD1 3.79Å; L144-I149 HydrophobicContact CD1-CD1 4.03Å; L144-I149 HydrophobicContact CG-CD1 4.4Å; L144-H165 PolarHBondContact N-O 3.32Å; L144-L166 HydrophobicContact CB-CD2 3.95Å; L144-L166 HydrophobicContact CD1-CD2 4.16Å; L144-N169 PolarHBondContact O-ND2 3.34Å
145	T	98.6	Very high	96.4	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.055	20%	0.204	C	C	.	.			trans	-61	149.7	-178.1	-52.7	0	0	0	0	111.6	N124 Y125 N147 H165 Q167	N124-T145 CarbonylContact C-O 3.54Å; N124-T145 VanDerWaalsContact CA-O 3.25Å; N124-T145 WeakPolarHBondContact CA-O 3.49Å; N124-T145 VanDerWaalsContact OD1-CB 3.27Å; N124-T145 WeakPolarHBondContact OD1-CB 3.29Å; N124-T145 PolarHBondContact OD1-N 3.35Å; N124-T145 PolarHBondContact OD1-OG1 2.98Å; Y125-T145 PolarHBondContact N-O 3.08Å; T145-N147 PolarHBondContact O-N 3.17Å; T145-N147 PolarHBondContact O-ND2 2.74Å; T145-H165 WeakPolarHBondContact OG1-CB 3.33Å; T145-Q167 WeakPolarHBondContact CA-O 3.4Å; T145-Q167 HydrophobicContact CG2-CG 3.61Å; T145-Q167 WeakPolarHBondContact CG2-O 3.21Å; T145-Q167 VanDerWaalsContact OG1-CD 3.25Å; T145-Q167 PolarHBondContact OG1-NE2 2.79Å; T145-Q167 PolarHBondContact OG1-OE1 2.9Å
146	H	98.8	Very high	95.9	Very high	66 Å²	66	45 Å²	45	31%	0.306	23%	0.233	S	C	.	.	S	Bend	trans	54.6	50.7	175.9	-79.1	-77.7	0	0	0	113.1	Y125 Q167 H168	Y125-H146 VanDerWaalsContact CA-O 3.31Å; Y125-H146 WeakPolarHBondContact CA-O 3.31Å; Y125-H146 HydrophobicContact CD1-CB 3.41Å; Y125-H146 VanDerWaalsContact CD1-CB 3.41Å; Y125-H146 AromaticContact CD1-CG 3.74Å; Y125-H146 HydrophobicContact CD2-CB 4.33Å; Y125-H146 HydrophobicContact CE1-CB 3.56Å; Y125-H146 AromaticContact CE1-CD2 3.21Å; Y125-H146 WeakPolarHBondContact CE1-CD2 3.39Å; Y125-H146 AromaticContact CE1-CG 3.33Å; Y125-H146 AromaticContact CE1-ND1 3.94Å; Y125-H146 AromaticContact CE1-NE2 3.82Å; Y125-H146 HydrophobicContact CE2-CB 4.45Å; Y125-H146 HydrophobicContact CG-CB 3.84Å; Y125-H146 AromaticContact CZ-CD2 3.22Å; Y125-H146 AromaticContact CZ-CG 3.81Å; Y125-H146 AromaticContact CZ-NE2 3.92Å; Y125-H146 PolarHBondContact OH-CD2 3.27Å; Y125-H146 VanDerWaalsContact OH-CD2 3.22Å; H146-Q167 PolarHBondContact N-O 3.32Å; H146-H168 WeakPolarHBondContact CA-O 3.45Å; H146-H168 HydrophobicContact CB-CB 4.41Å; H146-H168 AromaticContact CD2-CD2 3.8Å; H146-H168 AromaticContact CE1-CD2 3.38Å; H146-H168 PolarHBondContact CE1-CD2 2.75Å; H146-H168 AromaticContact CE1-CE1 3.93Å; H146-H168 AromaticContact CE1-CG 3.24Å; H146-H168 AromaticContact CE1-ND1 3.6Å; H146-H168 AromaticContact CE1-NE2 3.82Å; H146-H168 PolarHBondContact N-O 3.37Å; H146-H168 WeakPolarHBondContact ND1-CB 3.21Å; H146-H168 AromaticContact ND1-CG 3.66Å; H146-H168 AromaticContact NE2-CD2 3.14Å; H146-H168 PolarHBondContact NE2-CD2 2.73Å; H146-H168 AromaticContact NE2-CG 3.5Å; H146-H168 AromaticContact NE2-NE2 3.66Å
147	N	98.8	Very high	95.6	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.064	24%	0.243	C	C	.	.	S	Bend	trans	-115.8	-162.1	169.4	-82.8	-86.2	0	0	0	109.6	I123 N126 N127 L128 L144 T145 I149 H168 N169	I123-N147 PolarHBondContact O-ND2 3.3Å; N126-N147 WeakPolarHBondContact CA-OD1 3.39Å; N126-N147 WeakPolarHBondContact CB-OD1 3.3Å; N126-N147 PolarHBondContact N-OD1 3.49Å; N126-N147 PolarHBondContact O-OD1 2.77Å; N127-N147 PolarHBondContact N-OD1 2.8Å; L128-N147 HydrophobicContact CB-CB 4.19Å; L128-N147 VanDerWaalsContact CB-OD1 3.31Å; L128-N147 WeakPolarHBondContact CB-OD1 3.44Å; L128-N147 WeakPolarHBondContact CG-OD1 3.14Å; L128-N147 PolarHBondContact N-OD1 3.19Å; L144-N147 PolarHBondContact O-ND2 3.25Å; L144-N147 VanDerWaalsContact O-ND2 3.11Å; T145-N147 PolarHBondContact O-N 3.17Å; T145-N147 PolarHBondContact O-ND2 2.74Å; N147-I149 HydrophobicContact CB-CD1 4.02Å; N147-I149 HydrophobicContact CB-CG1 3.82Å; N147-H168 PolarHBondContact N-O 3.03Å; N147-N169 WeakPolarHBondContact CA-OD1 3.26Å; N147-N169 WeakPolarHBondContact CB-OD1 3.28Å; N147-N169 PolarHBondContact N-OD1 2.89Å; N147-N169 PolarHBondContact O-OD1 3.03Å
148	K	98.5	Very high	95.6	Very high	75 Å²	75	38.9 Å²	38.9	33%	0.326	21%	0.214	S	C	.	.			trans	-118.7	28.4	177.8	-62.7	167.6	-178.4	159.2	0	110.6	N127 L128 T129 T150 N169	N127-K148 PolarHBondContact OD1-NZ 3.36Å; L128-K148 CarbonylContact O-C 3.35Å; L128-K148 WeakPolarHBondContact O-CA 3.5Å; L128-K148 WeakPolarHBondContact O-CB 3.06Å; L128-K148 PolarHBondContact O-N 2.91Å; T129-K148 HydrophobicContact CG2-CB 4.37Å; K148-T150 PolarHBondContact O-N 3.29Å; K148-N169 PolarHBondContact N-OD1 3.23Å
149	I	98.6	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.			trans	-68	125.7	-167.9	-61.1	171.7	0	0	0	110.2	L128 T129 L144 N147 K151 L152 N169 R170 L171	L128-I149 HydrophobicContact CB-CD1 4.45Å; L128-I149 HydrophobicContact CB-CG1 4.11Å; L128-I149 PolarHBondContact O-N 3.48Å; T129-I149 WeakPolarHBondContact O-CA 3.26Å; L144-I149 HydrophobicContact CB-CD1 3.79Å; L144-I149 HydrophobicContact CD1-CD1 4.03Å; L144-I149 HydrophobicContact CG-CD1 4.4Å; N147-I149 HydrophobicContact CB-CD1 4.02Å; N147-I149 HydrophobicContact CB-CG1 3.82Å; I149-K151 WeakPolarHBondContact CG2-O 3.25Å; I149-L152 HydrophobicContact CG2-CD2 3.9Å; I149-N169 HydrophobicContact CB-CB 4.27Å; I149-N169 VanDerWaalsContact CB-OD1 3.24Å; I149-N169 WeakPolarHBondContact CB-OD1 3.12Å; I149-N169 WeakPolarHBondContact CG1-OD1 3.2Å; I149-N169 PolarHBondContact N-OD1 2.88Å; I149-R170 CarbonylContact O-C 3.51Å; I149-R170 WeakPolarHBondContact O-CA 3.38Å; I149-R170 PolarHBondContact O-N 3.11Å; I149-L171 HydrophobicContact CG2-CD2 3.82Å; I149-L171 PolarHBondContact O-N 3.04Å
150	T	98	Very high	95.4	Very high	63 Å²	63	44.5 Å²	44.5	39%	0.387	24%	0.244	S	C	.	.			trans	-112.7	-19.3	174.6	57.6	0	0	0	0	112.6	T129 K148 R170	T129-T150 PolarHBondContact O-N 2.93Å; T129-T150 PolarHBondContact O-OG1 2.93Å; K148-T150 PolarHBondContact O-N 3.29Å; T150-R170 HydrophobicContact CG2-CB 3.79Å
151	K	96.3	Very high	95.4	Very high	114 Å²	114	41.2 Å²	41.2	50%	0.496	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-133.7	140.2	179.3	-55.1	-175.4	-158.4	146.4	0	110.9	E130 S131 I149	E130-K151 CarbonylContact C-O 3.49Å; E130-K151 VanDerWaalsContact CA-O 3.3Å; E130-K151 WeakPolarHBondContact CA-O 3.33Å; E130-K151 HydrophobicContact CB-CB 4.49Å; E130-K151 HydrophobicContact CG-CB 4.12Å; E130-K151 HydrophobicContact CG-CD 4.48Å; E130-K151 WeakPolarHBondContact OE1-CD 3.3Å; E130-K151 IonicContact OE1-NZ 2.81Å; E130-K151 PolarHBondContact OE1-NZ 3.45Å; S131-K151 PolarHBondContact N-O 3.14Å; I149-K151 WeakPolarHBondContact CG2-O 3.25Å
152	L	95	Very high	95.4	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.12	23%	0.233	C	C	.	.			trans	-104.2	141.5	170.2	-60.2	177.1	0	0	0	108.8	I149 F155 L166 L171 V176 A179	I149-L152 HydrophobicContact CG2-CD2 3.9Å; L152-F155 HydrophobicContact CB-CZ 4.47Å; L152-F155 HydrophobicContact CD2-CZ 4.36Å; L152-L166 HydrophobicContact CD1-CD1 3.86Å; L152-L166 HydrophobicContact CD2-CD1 4.17Å; L152-L166 HydrophobicContact CD2-CD2 3.85Å; L152-L171 HydrophobicContact CD1-CD1 4.37Å; L152-L171 HydrophobicContact CD1-CD2 4.21Å; L152-L171 HydrophobicContact CD2-CD1 4.46Å; L152-L171 HydrophobicContact CD2-CD2 3.93Å; L152-L171 HydrophobicContact CG-CD2 3.74Å; L152-V176 HydrophobicContact CD1-CG2 4.36Å; L152-A179 HydrophobicContact CB-CB 3.36Å; L152-A179 HydrophobicContact CD1-CB 3.94Å; L152-A179 HydrophobicContact CG-CB 4.3Å
153	G	88.2	Confident	95.4	Very high	36 Å²	36	43.8 Å²	43.8	37%	0.371	24%	0.242	S	C	.	.			trans	-71.9	172.6	167	0	0	0	0	0	110.7	S131 F155 A179	S131-G153 PolarHBondContact OG-N 3.03Å; G153-F155 PolarHBondContact O-N 3.37Å; G153-A179 WeakPolarHBondContact O-CB 3.32Å
154	S	85.8	Confident	95.3	Very high	85 Å²	85	42.1 Å²	42.1	59%	0.594	23%	0.234	S	C	*	.			trans	-71.8	124.3	174.6	-177.4	0	0	0	0	110.4	E156	S154-E156 VanDerWaalsContact C-N 3.27Å; S154-E156 WeakPolarHBondContact OG-CB 3.45Å; S154-E156 PolarHBondContact OG-N 3.45Å
155	F	92.3	Very high	95.4	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.018	24%	0.241	C	C	.	.			trans	-95.4	18	169.6	-55.9	-26.1	0	0	0	111.9	L135 L142 L152 G153 G157 L158 I164 A179 L180 L183	L135-F155 HydrophobicContact CD1-CD1 4.35Å; L135-F155 HydrophobicContact CD1-CE1 4.16Å; L142-F155 HydrophobicContact CD2-CE1 4.26Å; L142-F155 HydrophobicContact CD2-CE2 4.34Å; L142-F155 HydrophobicContact CD2-CZ 3.92Å; L152-F155 HydrophobicContact CB-CZ 4.47Å; L152-F155 HydrophobicContact CD2-CZ 4.36Å; G153-F155 PolarHBondContact O-N 3.37Å; F155-G157 PolarHBondContact O-N 2.86Å; F155-L158 HydrophobicContact CB-CD1 3.89Å; F155-L158 HydrophobicContact CB-CG 4.39Å; F155-L158 HydrophobicContact CD1-CD1 4.23Å; F155-L158 HydrophobicContact CG-CD1 4.27Å; F155-L158 WeakPolarHBondContact O-CB 3.31Å; F155-L158 WeakPolarHBondContact O-CG 3.49Å; F155-L158 PolarHBondContact O-N 2.89Å; F155-I164 HydrophobicContact CD2-CD1 4.16Å; F155-I164 HydrophobicContact CE2-CD1 4.31Å; F155-A179 WeakPolarHBondContact CB-O 3.31Å; F155-A179 HydrophobicContact CD2-CB 4.46Å; F155-A179 PolarHBondContact N-O 2.94Å; F155-L180 HydrophobicContact CD2-CD2 3.49Å; F155-L180 VanDerWaalsContact CD2-CD2 3.49Å; F155-L180 HydrophobicContact CE2-CD2 3.76Å; F155-L183 HydrophobicContact CB-CD1 4.29Å; F155-L183 HydrophobicContact CB-CD2 3.97Å; F155-L183 HydrophobicContact CB-CG 4.44Å; F155-L183 HydrophobicContact CD2-CD1 4.42Å; F155-L183 VanDerWaalsContact O-CD2 3.24Å; F155-L183 WeakPolarHBondContact O-CD2 3.22Å
156	E	86.2	Confident	95.4	Very high	156 Å²	156	43.1 Å²	43.1	73%	0.729	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	131.2	178.1	-173.1	175.9	-172.9	0	0	111.5	S154 L158	S154-E156 VanDerWaalsContact C-N 3.27Å; S154-E156 WeakPolarHBondContact OG-CB 3.45Å; S154-E156 PolarHBondContact OG-N 3.45Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.26Å
157	G	89.3	Confident	95.4	Very high	26 Å²	26	41.5 Å²	41.5	27%	0.268	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	0.8	178.6	0	0	0	0	0	115.4	F155 V159	F155-G157 PolarHBondContact O-N 2.86Å; G157-V159 PolarHBondContact O-N 3.01Å
158	L	95.3	Very high	95.4	Very high	7 Å²	7	44 Å²	44	4%	0.037	24%	0.242	C	C	.	.			trans	-76.9	67	168.9	-56.4	-172.5	0	0	0	110.3	L135 P136 F155 E156 N160 L161 L183	L135-L158 HydrophobicContact CB-CD1 3.99Å; L135-L158 HydrophobicContact CB-CD2 4.26Å; L135-L158 HydrophobicContact CD1-CD1 4.1Å; P136-L158 WeakPolarHBondContact O-CD2 3.39Å; F155-L158 HydrophobicContact CB-CD1 3.89Å; F155-L158 HydrophobicContact CB-CG 4.39Å; F155-L158 HydrophobicContact CD1-CD1 4.23Å; F155-L158 HydrophobicContact CG-CD1 4.27Å; F155-L158 WeakPolarHBondContact O-CB 3.31Å; F155-L158 WeakPolarHBondContact O-CG 3.49Å; F155-L158 PolarHBondContact O-N 2.89Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.26Å; L158-N160 PolarHBondContact O-N 3.48Å; L158-L161 HydrophobicContact CB-CB 4.01Å; L158-L161 HydrophobicContact CB-CD2 4.27Å; L158-L161 HydrophobicContact CD1-CD2 3.93Å; L158-L161 WeakPolarHBondContact O-CB 3.3Å; L158-L161 PolarHBondContact O-N 3.14Å; L158-L183 HydrophobicContact CB-CD2 3.92Å; L158-L183 WeakPolarHBondContact O-CD2 3.45Å
159	V	93.8	Very high	95.4	Very high	66 Å²	66	41 Å²	41	40%	0.4	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.3	-171.5	-64.7	0	0	0	0	114.1	G157 S185	G157-V159 PolarHBondContact O-N 3.01Å; V159-S185 VanDerWaalsContact O-CB 3.26Å; V159-S185 WeakPolarHBondContact O-CB 3.24Å; V159-S185 PolarHBondContact O-OG 3.47Å
160	N	96.6	Very high	95.4	Very high	73 Å²	73	46.7 Å²	46.7	39%	0.39	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-4.4	178.5	-67.6	-2.4	0	0	0	113.2	L139 E140 L158 T162	L139-N160 CarbonylContact O-C 3.25Å; L139-N160 VanDerWaalsContact O-C 3.25Å; E140-N160 WeakPolarHBondContact CA-O 3.5Å; E140-N160 HydrophobicContact CG-CB 4.2Å; L158-N160 PolarHBondContact O-N 3.48Å; N160-T162 PolarHBondContact O-N 3.45Å; N160-T162 PolarHBondContact O-OG1 3.39Å
161	L	98.1	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.			trans	-71.7	115.5	-174.3	-169.7	62.2	0	0	0	110.2	L139 L142 L158 I164 L183 S185 L186	L139-L161 HydrophobicContact CD2-CD1 4.14Å; L139-L161 HydrophobicContact CG-CD1 4.13Å; L139-L161 VanDerWaalsContact O-CA 3.31Å; L139-L161 WeakPolarHBondContact O-CA 3.33Å; L139-L161 PolarHBondContact O-N 3.49Å; L139-L161 VanDerWaalsContact O-N 3.15Å; L142-L161 HydrophobicContact CB-CD1 4.02Å; L158-L161 HydrophobicContact CB-CB 4.01Å; L158-L161 HydrophobicContact CB-CD2 4.27Å; L158-L161 HydrophobicContact CD1-CD2 3.93Å; L158-L161 WeakPolarHBondContact O-CB 3.3Å; L158-L161 PolarHBondContact O-N 3.14Å; L161-I164 HydrophobicContact CD1-CG1 4.41Å; L161-I164 HydrophobicContact CD2-CD1 3.57Å; L161-I164 HydrophobicContact CD2-CG1 3.79Å; L161-I164 HydrophobicContact CG-CD1 4.15Å; L161-I164 HydrophobicContact CG-CG1 3.96Å; L161-L183 HydrophobicContact CB-CD2 4.42Å; L161-L183 HydrophobicContact CD2-CD1 4.29Å; L161-L183 HydrophobicContact CD2-CD2 4.29Å; L161-S185 CarbonylContact O-C 3.56Å; L161-S185 VanDerWaalsContact O-C 3.31Å; L161-L186 VanDerWaalsContact O-CA 3.3Å; L161-L186 WeakPolarHBondContact O-CA 3.38Å; L161-L186 PolarHBondContact O-N 3.43Å
162	T	98.5	Very high	95.5	Very high	27 Å²	27	44 Å²	44	17%	0.166	23%	0.234	C	C	.	.			trans	-111	-33.5	-172.8	-58	0	0	0	0	112.5	E140 N160 S185 E187 Y188	E140-T162 PolarHBondContact O-N 3.38Å; N160-T162 PolarHBondContact O-N 3.45Å; N160-T162 PolarHBondContact O-OG1 3.39Å; T162-S185 WeakPolarHBondContact CA-O 3.44Å; T162-S185 PolarHBondContact OG1-O 2.98Å; T162-E187 HydrophobicContact CG2-CB 3.83Å; T162-E187 HydrophobicContact CG2-CG 3.9Å; T162-E187 PolarHBondContact O-N 2.91Å; T162-Y188 PolarHBondContact O-N 3.3Å
163	F	98.7	Very high	95.5	Very high	42 Å²	42	44.3 Å²	44.3	18%	0.184	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.9	-178.4	-58	-89.4	0	0	0	111.1	E140 D141 L142 Y188	E140-F163 PolarHBondContact O-N 3.4Å; E140-F163 VanDerWaalsContact O-N 3.08Å; D141-F163 HydrophobicContact CB-CB 4.46Å; L142-F163 PolarHBondContact N-O 3.01Å; F163-Y188 VanDerWaalsContact CD1-CB 3.49Å; F163-Y188 HydrophobicContact CD1-CD1 4.31Å; F163-Y188 AromaticContact CD1-CG 3.99Å; F163-Y188 HydrophobicContact CD1-CG 3.99Å
164	I	98.6	Very high	95.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120	170.9	-64.2	174.4	0	0	0	109.4	L142 F155 L161 L166 L180 L183 L186 Y188 L189 D190	L142-I164 WeakPolarHBondContact O-CA 3.38Å; F155-I164 HydrophobicContact CD2-CD1 4.16Å; F155-I164 HydrophobicContact CE2-CD1 4.31Å; L161-I164 HydrophobicContact CD1-CG1 4.41Å; L161-I164 HydrophobicContact CD2-CD1 3.57Å; L161-I164 HydrophobicContact CD2-CG1 3.79Å; L161-I164 HydrophobicContact CG-CD1 4.15Å; L161-I164 HydrophobicContact CG-CG1 3.96Å; I164-L166 HydrophobicContact CG2-CD1 3.46Å; I164-L166 VanDerWaalsContact CG2-CD1 3.46Å; I164-L166 HydrophobicContact CG2-CG 3.61Å; I164-L180 HydrophobicContact CD1-CD2 3.76Å; I164-L183 HydrophobicContact CD1-CD1 3.77Å; I164-L186 HydrophobicContact CB-CD1 4.16Å; I164-L186 HydrophobicContact CD1-CD1 3.57Å; I164-L186 HydrophobicContact CD1-CD2 4.06Å; I164-L186 HydrophobicContact CD1-CG 4.5Å; I164-L186 HydrophobicContact CG1-CD1 3.57Å; I164-Y188 PolarHBondContact N-O 3.1Å; I164-Y188 VanDerWaalsContact N-O 3.07Å; I164-L189 HydrophobicContact CB-CD1 3.96Å; I164-L189 HydrophobicContact CG2-CD1 3.88Å; I164-D190 PolarHBondContact O-N 2.94Å
165	H	98.8	Very high	96.2	Very high	31 Å²	31	45.6 Å²	45.6	14%	0.144	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.6	173.4	-63.7	-96.7	0	0	0	109.8	L142 Q143 L144 T145 Y188	L142-H165 PolarHBondContact O-N 3.05Å; Q143-H165 HydrophobicContact CB-CB 4.23Å; Q143-H165 HydrophobicContact CG-CB 4.25Å; L144-H165 PolarHBondContact N-O 3.32Å; T145-H165 WeakPolarHBondContact OG1-CB 3.33Å; H165-Y188 AromaticContact CE1-CD1 3.89Å; H165-Y188 AromaticContact CE1-CE1 3.16Å; H165-Y188 WeakPolarHBondContact CE1-CE1 3.45Å; H165-Y188 AromaticContact CE1-CZ 3.66Å; H165-Y188 AromaticContact ND1-CE1 3.46Å; H165-Y188 WeakPolarHBondContact ND1-CE1 3.43Å; H165-Y188 AromaticContact NE2-CD1 3.94Å; H165-Y188 AromaticContact NE2-CE1 3.66Å
166	L	98.7	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.			trans	-129.7	12.2	-176.4	-77.1	168.4	0	0	0	112.8	L144 L152 I164 N169 L171 D190 L191 N194	L144-L166 HydrophobicContact CB-CD2 3.95Å; L144-L166 HydrophobicContact CD1-CD2 4.16Å; L152-L166 HydrophobicContact CD1-CD1 3.86Å; L152-L166 HydrophobicContact CD2-CD1 4.17Å; L152-L166 HydrophobicContact CD2-CD2 3.85Å; I164-L166 HydrophobicContact CG2-CD1 3.46Å; I164-L166 VanDerWaalsContact CG2-CD1 3.46Å; I164-L166 HydrophobicContact CG2-CG 3.61Å; L166-N169 WeakPolarHBondContact O-CB 3.22Å; L166-N169 PolarHBondContact O-ND2 3.32Å; L166-L171 HydrophobicContact CB-CD1 3.93Å; L166-L171 HydrophobicContact CD1-CD1 4.06Å; L166-L171 HydrophobicContact CD2-CD1 4.22Å; L166-L171 HydrophobicContact CG-CD1 4.31Å; L166-D190 CarbonylContact C-O 3.19Å; L166-D190 WeakPolarHBondContact CA-O 3.33Å; L166-D190 WeakPolarHBondContact CB-O 3Å; L166-D190 PolarHBondContact N-O 3.04Å; L166-L191 HydrophobicContact CB-CD2 3.92Å; L166-L191 HydrophobicContact CD1-CD2 3.95Å; L166-N194 PolarHBondContact O-ND2 3.01Å
167	Q	98.8	Very high	96.6	Very high	32 Å²	32	38.7 Å²	38.7	15%	0.15	20%	0.199	C	C	.	.			trans	-65.6	155.6	-179.2	72.9	-69.6	27.7	0	0	113.4	T145 H146 N169 D190 S192	T145-Q167 WeakPolarHBondContact CA-O 3.4Å; T145-Q167 HydrophobicContact CG2-CG 3.61Å; T145-Q167 WeakPolarHBondContact CG2-O 3.21Å; T145-Q167 VanDerWaalsContact OG1-CD 3.25Å; T145-Q167 PolarHBondContact OG1-NE2 2.79Å; T145-Q167 PolarHBondContact OG1-OE1 2.9Å; H146-Q167 PolarHBondContact N-O 3.32Å; Q167-N169 PolarHBondContact O-ND2 3.26Å; Q167-D190 VanDerWaalsContact CD-OD2 3.25Å; Q167-D190 WeakPolarHBondContact CG-OD2 3.04Å; Q167-D190 PolarHBondContact N-O 3.21Å; Q167-D190 PolarHBondContact NE2-OD2 3.4Å; Q167-S192 WeakPolarHBondContact CA-O 2.96Å; Q167-S192 VanDerWaalsContact CB-O 3.26Å; Q167-S192 WeakPolarHBondContact CB-O 3.1Å; Q167-S192 WeakPolarHBondContact CB-OG 3.39Å
168	H	98.8	Very high	96.6	Very high	64 Å²	64	41 Å²	41	30%	0.296	22%	0.216	S	C	.	.	S	Bend	trans	55.3	53.3	-174.2	-64.4	-79.2	0	0	0	113	H146 N147 S192 F193	H146-H168 WeakPolarHBondContact CA-O 3.45Å; H146-H168 HydrophobicContact CB-CB 4.41Å; H146-H168 AromaticContact CD2-CD2 3.8Å; H146-H168 AromaticContact CE1-CD2 3.38Å; H146-H168 PolarHBondContact CE1-CD2 2.75Å; H146-H168 AromaticContact CE1-CE1 3.93Å; H146-H168 AromaticContact CE1-CG 3.24Å; H146-H168 AromaticContact CE1-ND1 3.6Å; H146-H168 AromaticContact CE1-NE2 3.82Å; H146-H168 PolarHBondContact N-O 3.37Å; H146-H168 WeakPolarHBondContact ND1-CB 3.21Å; H146-H168 AromaticContact ND1-CG 3.66Å; H146-H168 AromaticContact NE2-CD2 3.14Å; H146-H168 PolarHBondContact NE2-CD2 2.73Å; H146-H168 AromaticContact NE2-CG 3.5Å; H146-H168 AromaticContact NE2-NE2 3.66Å; N147-H168 PolarHBondContact N-O 3.03Å; H168-S192 PolarHBondContact N-O 2.98Å; H168-S192 VanDerWaalsContact N-O 3.14Å; H168-F193 VanDerWaalsContact CA-O 3.29Å; H168-F193 WeakPolarHBondContact CA-O 3.42Å; H168-F193 HydrophobicContact CB-CB 4.43Å; H168-F193 AromaticContact CE1-CD1 3.41Å; H168-F193 VanDerWaalsContact CE1-CD1 3.41Å; H168-F193 WeakPolarHBondContact CE1-CD1 3.34Å; H168-F193 AromaticContact CE1-CD2 3.52Å; H168-F193 AromaticContact CE1-CE1 3.86Å; H168-F193 AromaticContact CE1-CE2 3.98Å; H168-F193 AromaticContact CE1-CG 3.22Å; H168-F193 WeakPolarHBondContact CE1-CG 3.19Å; H168-F193 PolarHBondContact N-O 2.99Å; H168-F193 WeakPolarHBondContact ND1-CB 3.26Å; H168-F193 AromaticContact ND1-CD1 3.86Å; H168-F193 AromaticContact ND1-CG 3.54Å; H168-F193 AromaticContact NE2-CD2 3.5Å; H168-F193 AromaticContact NE2-CE2 3.89Å; H168-F193 AromaticContact NE2-CG 3.69Å
169	N	98.8	Very high	96.4	Very high	11 Å²	11	40.8 Å²	40.8	6%	0.059	21%	0.214	C	C	.	.	S	Bend	trans	-124	-161.5	172.4	-85.4	-73	0	0	0	110.2	L144 N147 K148 I149 L166 Q167 L171 F193 N194	L144-N169 PolarHBondContact O-ND2 3.34Å; N147-N169 WeakPolarHBondContact CA-OD1 3.26Å; N147-N169 WeakPolarHBondContact CB-OD1 3.28Å; N147-N169 PolarHBondContact N-OD1 2.89Å; N147-N169 PolarHBondContact O-OD1 3.03Å; K148-N169 PolarHBondContact N-OD1 3.23Å; I149-N169 HydrophobicContact CB-CB 4.27Å; I149-N169 VanDerWaalsContact CB-OD1 3.24Å; I149-N169 WeakPolarHBondContact CB-OD1 3.12Å; I149-N169 WeakPolarHBondContact CG1-OD1 3.2Å; I149-N169 PolarHBondContact N-OD1 2.88Å; L166-N169 WeakPolarHBondContact O-CB 3.22Å; L166-N169 PolarHBondContact O-ND2 3.32Å; Q167-N169 PolarHBondContact O-ND2 3.26Å; N169-L171 HydrophobicContact CB-CD1 4.46Å; N169-L171 HydrophobicContact CB-CG 4.24Å; N169-F193 PolarHBondContact N-O 2.97Å; N169-N194 WeakPolarHBondContact CA-OD1 3.33Å; N169-N194 WeakPolarHBondContact CB-OD1 3.33Å; N169-N194 PolarHBondContact O-OD1 2.84Å
170	R	98.6	Very high	96.4	Very high	121 Å²	121	37.6 Å²	37.6	46%	0.457	20%	0.195	S	C	.	.			trans	-125.6	33	-179.2	-58.9	176.2	-176.3	175.3	-2.7	110.9	I149 T150 N194	I149-R170 CarbonylContact O-C 3.51Å; I149-R170 WeakPolarHBondContact O-CA 3.38Å; I149-R170 PolarHBondContact O-N 3.11Å; T150-R170 HydrophobicContact CG2-CB 3.79Å; R170-N194 PolarHBondContact N-OD1 2.88Å
171	L	98.4	Very high	96	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.			trans	-71.7	146.3	-175.8	-66.2	169	0	0	0	111.5	I149 L152 L166 N169 A175 V176 L191 N194 Q195 I196	I149-L171 HydrophobicContact CG2-CD2 3.82Å; I149-L171 PolarHBondContact O-N 3.04Å; L152-L171 HydrophobicContact CD1-CD1 4.37Å; L152-L171 HydrophobicContact CD1-CD2 4.21Å; L152-L171 HydrophobicContact CD2-CD1 4.46Å; L152-L171 HydrophobicContact CD2-CD2 3.93Å; L152-L171 HydrophobicContact CG-CD2 3.74Å; L166-L171 HydrophobicContact CB-CD1 3.93Å; L166-L171 HydrophobicContact CD1-CD1 4.06Å; L166-L171 HydrophobicContact CD2-CD1 4.22Å; L166-L171 HydrophobicContact CG-CD1 4.31Å; N169-L171 HydrophobicContact CB-CD1 4.46Å; N169-L171 HydrophobicContact CB-CG 4.24Å; L171-A175 HydrophobicContact CD2-CB 4.43Å; L171-V176 HydrophobicContact CB-CG2 4.28Å; L171-V176 HydrophobicContact CD1-CG2 4.38Å; L171-L191 HydrophobicContact CD1-CD2 3.84Å; L171-N194 HydrophobicContact CB-CB 4.31Å; L171-N194 VanDerWaalsContact CB-OD1 3.28Å; L171-N194 WeakPolarHBondContact CB-OD1 3.49Å; L171-N194 WeakPolarHBondContact CG-OD1 3.18Å; L171-N194 PolarHBondContact N-OD1 3.41Å; L171-Q195 CarbonylContact O-C 3.27Å; L171-Q195 VanDerWaalsContact O-C 3.25Å; L171-Q195 WeakPolarHBondContact O-CA 3.36Å; L171-Q195 WeakPolarHBondContact O-CB 3.5Å; L171-Q195 PolarHBondContact O-N 2.94Å; L171-I196 PolarHBondContact O-N 3.11Å
172	K	97.8	Very high	95.4	Very high	120 Å²	120	45.6 Å²	45.6	52%	0.522	24%	0.235	S	C	.	.			trans	-117.8	161.8	168.8	-63	-175.7	179.4	-177.3	0	109.7	D174 A175 V176 Q195	K172-D174 VanDerWaalsContact C-N 3.32Å; K172-D174 PolarHBondContact O-N 2.95Å; K172-A175 PolarHBondContact O-N 3.37Å; K172-V176 PolarHBondContact O-N 2.9Å; K172-Q195 HydrophobicContact CG-CB 4.43Å
173	E	96.2	Very high	95.2	Very high	30 Å²	30	44.6 Å²	44.6	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-53.9	-39.8	-172.9	58.6	-88.9	-157.6	0	0	114.9	A175 V176 S177 I196 A197 K198	E173-A175 PolarHBondContact O-N 2.71Å; E173-V176 PolarHBondContact O-N 3.4Å; E173-S177 WeakPolarHBondContact O-CB 3.34Å; E173-S177 PolarHBondContact O-N 3.24Å; E173-S177 PolarHBondContact O-OG 3.29Å; E173-I196 HydrophobicContact CB-CG2 4.3Å; E173-A197 PolarHBondContact OE2-N 3.31Å; E173-K198 HydrophobicContact CB-CB 4.39Å; E173-K198 VanDerWaalsContact CB-O 3.24Å; E173-K198 WeakPolarHBondContact CB-O 3.49Å; E173-K198 HydrophobicContact CG-CB 4.09Å
174	D	93.5	Very high	94.9	Very high	124 Å²	124	50.3 Å²	50.3	66%	0.663	25%	0.254	S	S	*	.	H	α-helix	trans	-67.8	-37.7	-176.7	-67.6	-23.2	0	0	0	111.8	K172 V176 A178	K172-D174 VanDerWaalsContact C-N 3.32Å; K172-D174 PolarHBondContact O-N 2.95Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 3.02Å; D174-A178 PolarHBondContact O-N 3.32Å
175	A	94.2	Very high	94.8	Very high	23 Å²	23	52.5 Å²	52.5	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-36.1	177.6	0	0	0	0	0	111.5	L171 K172 E173 A179	L171-A175 HydrophobicContact CD2-CB 4.43Å; K172-A175 PolarHBondContact O-N 3.37Å; E173-A175 PolarHBondContact O-N 2.71Å; A175-A179 WeakPolarHBondContact O-CB 3.13Å; A175-A179 PolarHBondContact O-N 2.87Å
176	V	95.6	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-74.7	-47.9	178.9	-179.5	0	0	0	0	111.1	L152 L171 K172 E173 D174 A178 A179 L180 L191 I196 P200 L203	L152-V176 HydrophobicContact CD1-CG2 4.36Å; L171-V176 HydrophobicContact CB-CG2 4.28Å; L171-V176 HydrophobicContact CD1-CG2 4.38Å; K172-V176 PolarHBondContact O-N 2.9Å; E173-V176 PolarHBondContact O-N 3.4Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 3.02Å; V176-A178 VanDerWaalsContact C-N 3.28Å; V176-A178 PolarHBondContact O-N 2.9Å; V176-A179 PolarHBondContact O-N 2.91Å; V176-L180 HydrophobicContact CG1-CD1 3.61Å; V176-L180 HydrophobicContact CG1-CG 4.08Å; V176-L180 PolarHBondContact O-N 2.88Å; V176-L180 VanDerWaalsContact O-N 3.13Å; V176-L191 HydrophobicContact CG1-CD1 3.79Å; V176-L191 HydrophobicContact CG1-CD2 4.44Å; V176-L191 HydrophobicContact CG2-CD1 4.41Å; V176-L191 HydrophobicContact CG2-CD2 3.98Å; V176-I196 HydrophobicContact CG2-CD1 4.42Å; V176-P200 HydrophobicContact CB-CB 4.09Å; V176-P200 HydrophobicContact CB-CG 3.95Å; V176-P200 HydrophobicContact CG1-CB 3.86Å; V176-P200 HydrophobicContact CG1-CG 3.74Å; V176-L203 HydrophobicContact CG1-CD2 3.99Å
177	S	92.8	Very high	94.8	Very high	15 Å²	15	54 Å²	54	11%	0.105	28%	0.276	C	S	.	.	H	α-helix	trans	-55.6	-42.8	-177.9	-58.7	0	0	0	0	112.3	E173 P200 S201	E173-S177 WeakPolarHBondContact O-CB 3.34Å; E173-S177 PolarHBondContact O-N 3.24Å; E173-S177 PolarHBondContact O-OG 3.29Å; S177-P200 VanDerWaalsContact OG-CA 3.29Å; S177-P200 WeakPolarHBondContact OG-CA 3.39Å; S177-P200 WeakPolarHBondContact OG-CB 3.49Å; S177-S201 PolarHBondContact OG-N 3.28Å
178	A	87.5	Confident	94.8	Very high	76 Å²	76	53 Å²	53	63%	0.628	27%	0.271	S	S	*	.	H	α-helix	trans	-71.1	-42.1	-179.6	0	0	0	0	0	112.6	D174 V176	D174-A178 PolarHBondContact O-N 3.32Å; V176-A178 VanDerWaalsContact C-N 3.28Å; V176-A178 PolarHBondContact O-N 2.9Å
179	A	92.8	Very high	94.8	Very high	1 Å²	1	50 Å²	50	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-76.8	-38.6	-170.9	0	0	0	0	0	114.1	L152 G153 F155 A175 V176 R181	L152-A179 HydrophobicContact CB-CB 3.36Å; L152-A179 HydrophobicContact CD1-CB 3.94Å; L152-A179 HydrophobicContact CG-CB 4.3Å; G153-A179 WeakPolarHBondContact O-CB 3.32Å; F155-A179 WeakPolarHBondContact CB-O 3.31Å; F155-A179 HydrophobicContact CD2-CB 4.46Å; F155-A179 PolarHBondContact N-O 2.94Å; A175-A179 WeakPolarHBondContact O-CB 3.13Å; A175-A179 PolarHBondContact O-N 2.87Å; V176-A179 PolarHBondContact O-N 2.91Å; A179-R181 VanDerWaalsContact C-N 3.32Å; A179-R181 PolarHBondContact O-N 2.98Å
180	L	92.6	Very high	94.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-87.5	-1.1	-172.5	-55.9	-169.2	0	0	0	113.7	F155 I164 V176 G182 L183 L189 L203	F155-L180 HydrophobicContact CD2-CD2 3.49Å; F155-L180 VanDerWaalsContact CD2-CD2 3.49Å; F155-L180 HydrophobicContact CE2-CD2 3.76Å; I164-L180 HydrophobicContact CD1-CD2 3.76Å; V176-L180 HydrophobicContact CG1-CD1 3.61Å; V176-L180 HydrophobicContact CG1-CG 4.08Å; V176-L180 PolarHBondContact O-N 2.88Å; V176-L180 VanDerWaalsContact O-N 3.13Å; L180-G182 PolarHBondContact O-N 3.02Å; L180-L183 HydrophobicContact CB-CD1 4.24Å; L180-L183 HydrophobicContact CD2-CD1 3.88Å; L180-L183 PolarHBondContact O-N 3.26Å; L180-L189 HydrophobicContact CD1-CD1 3.87Å; L180-L189 HydrophobicContact CD1-CD2 3.44Å; L180-L189 VanDerWaalsContact CD1-CD2 3.44Å; L180-L189 HydrophobicContact CD1-CG 4.33Å; L180-L203 HydrophobicContact CD1-CD2 3.88Å
181	R	88.1	Confident	94.8	Very high	192 Å²	192	44.1 Å²	44.1	73%	0.725	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	127	-178.6	-172.4	178.9	-179.3	-174.1	0.2	110.4	A179	A179-R181 VanDerWaalsContact C-N 3.32Å; A179-R181 PolarHBondContact O-N 2.98Å
182	G	86.4	Confident	94.8	Very high	49 Å²	49	44.4 Å²	44.4	51%	0.505	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	3.8	172.4	0	0	0	0	0	115.4	L180 K184	L180-G182 PolarHBondContact O-N 3.02Å; G182-K184 PolarHBondContact O-N 3.2Å
183	L	94.1	Very high	94.9	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	23%	0.229	C	C	.	.			trans	-67.7	114.3	166.3	-61.9	177.5	0	0	0	108.8	F155 L158 L161 I164 L180 L186 P204	F155-L183 HydrophobicContact CB-CD1 4.29Å; F155-L183 HydrophobicContact CB-CD2 3.97Å; F155-L183 HydrophobicContact CB-CG 4.44Å; F155-L183 HydrophobicContact CD2-CD1 4.42Å; F155-L183 VanDerWaalsContact O-CD2 3.24Å; F155-L183 WeakPolarHBondContact O-CD2 3.22Å; L158-L183 HydrophobicContact CB-CD2 3.92Å; L158-L183 WeakPolarHBondContact O-CD2 3.45Å; L161-L183 HydrophobicContact CB-CD2 4.42Å; L161-L183 HydrophobicContact CD2-CD1 4.29Å; L161-L183 HydrophobicContact CD2-CD2 4.29Å; I164-L183 HydrophobicContact CD1-CD1 3.77Å; L180-L183 HydrophobicContact CB-CD1 4.24Å; L180-L183 HydrophobicContact CD2-CD1 3.88Å; L180-L183 PolarHBondContact O-N 3.26Å; L183-L186 HydrophobicContact CB-CB 4.05Å; L183-L186 HydrophobicContact CD1-CD2 4.03Å; L183-P204 HydrophobicContact CB-CG 3.78Å; L183-P204 WeakPolarHBondContact O-CB 3.25Å; L183-P204 WeakPolarHBondContact O-CG 3.36Å
184	K	92.6	Very high	95	Very high	163 Å²	163	41.7 Å²	41.7	71%	0.709	23%	0.225	S	C	*	.	S	Bend	trans	-93.5	-19.5	-172	-64.7	-176.1	-178.7	179.3	0	114.1	G182 S206	G182-K184 PolarHBondContact O-N 3.2Å; K184-S206 WeakPolarHBondContact O-CB 3.21Å; K184-S206 PolarHBondContact O-OG 3.29Å
185	S	96.9	Very high	95.3	Very high	45 Å²	45	39.3 Å²	39.3	32%	0.315	21%	0.21	S	C	.	.	S	Bend	trans	-116.2	9.7	-173	-50	0	0	0	0	112.4	V159 L161 T162 E187	V159-S185 VanDerWaalsContact O-CB 3.26Å; V159-S185 WeakPolarHBondContact O-CB 3.24Å; V159-S185 PolarHBondContact O-OG 3.47Å; L161-S185 CarbonylContact O-C 3.56Å; L161-S185 VanDerWaalsContact O-C 3.31Å; T162-S185 WeakPolarHBondContact CA-O 3.44Å; T162-S185 PolarHBondContact OG1-O 2.98Å; S185-E187 PolarHBondContact O-N 2.99Å
186	L	98	Very high	95.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.			trans	-73.2	114.9	-178.3	-171.9	72.2	0	0	0	109.2	L161 I164 L183 L189 P204 S206 L207	L161-L186 VanDerWaalsContact O-CA 3.3Å; L161-L186 WeakPolarHBondContact O-CA 3.38Å; L161-L186 PolarHBondContact O-N 3.43Å; I164-L186 HydrophobicContact CB-CD1 4.16Å; I164-L186 HydrophobicContact CD1-CD1 3.57Å; I164-L186 HydrophobicContact CD1-CD2 4.06Å; I164-L186 HydrophobicContact CD1-CG 4.5Å; I164-L186 HydrophobicContact CG1-CD1 3.57Å; L183-L186 HydrophobicContact CB-CB 4.05Å; L183-L186 HydrophobicContact CD1-CD2 4.03Å; L186-L189 HydrophobicContact CD2-CB 4.34Å; L186-L189 HydrophobicContact CD2-CD2 4.48Å; L186-P204 HydrophobicContact CB-CB 4.22Å; L186-P204 HydrophobicContact CB-CG 4.01Å; L186-P204 HydrophobicContact CD2-CG 3.83Å; L186-S206 PolarHBondContact N-OG 2.7Å; L186-S206 CarbonylContact O-C 3.56Å; L186-S206 WeakPolarHBondContact O-CB 3.28Å; L186-S206 PolarHBondContact O-OG 3.28Å; L186-L207 HydrophobicContact CD2-CD2 3.94Å; L186-L207 HydrophobicContact CG-CD2 3.88Å; L186-L207 WeakPolarHBondContact O-CA 3.14Å; L186-L207 PolarHBondContact O-N 3.09Å
187	E	98.5	Very high	95.6	Very high	63 Å²	63	40 Å²	40	29%	0.294	22%	0.216	S	C	.	.			trans	-106.6	-32.2	-177.4	-69.3	-179.3	-177.7	0	0	111.8	T162 S185 L208 T209	T162-E187 HydrophobicContact CG2-CB 3.83Å; T162-E187 HydrophobicContact CG2-CG 3.9Å; T162-E187 PolarHBondContact O-N 2.91Å; S185-E187 PolarHBondContact O-N 2.99Å; E187-L208 HydrophobicContact CB-CB 4.5Å; E187-L208 HydrophobicContact CB-CD1 4.05Å; E187-L208 HydrophobicContact CB-CG 4.02Å; E187-L208 HydrophobicContact CG-CD1 4.06Å; E187-L208 HydrophobicContact CG-CG 4.15Å; E187-L208 WeakPolarHBondContact O-CA 3.37Å; E187-L208 PolarHBondContact O-N 2.81Å; E187-T209 PolarHBondContact O-N 3.25Å
188	Y	98.8	Very high	95.8	Very high	11 Å²	11	45.7 Å²	45.7	4%	0.043	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.3	-177.9	-179.7	-81.5	0	0	0	110.9	A11 T162 F163 I164 H165 D190 T209 Y211	A11-Y188 HydrophobicContact CB-CD2 4.08Å; A11-Y188 HydrophobicContact CB-CE2 3.89Å; T162-Y188 PolarHBondContact O-N 3.3Å; F163-Y188 VanDerWaalsContact CD1-CB 3.49Å; F163-Y188 HydrophobicContact CD1-CD1 4.31Å; F163-Y188 AromaticContact CD1-CG 3.99Å; F163-Y188 HydrophobicContact CD1-CG 3.99Å; I164-Y188 PolarHBondContact N-O 3.1Å; I164-Y188 VanDerWaalsContact N-O 3.07Å; H165-Y188 AromaticContact CE1-CD1 3.89Å; H165-Y188 AromaticContact CE1-CE1 3.16Å; H165-Y188 WeakPolarHBondContact CE1-CE1 3.45Å; H165-Y188 AromaticContact CE1-CZ 3.66Å; H165-Y188 AromaticContact ND1-CE1 3.46Å; H165-Y188 WeakPolarHBondContact ND1-CE1 3.43Å; H165-Y188 AromaticContact NE2-CD1 3.94Å; H165-Y188 AromaticContact NE2-CE1 3.66Å; Y188-D190 HydrophobicContact CE1-CB 3.66Å; Y188-T209 HydrophobicContact CD2-CG2 3.6Å; Y188-T209 HydrophobicContact CE2-CG2 3.64Å; Y188-Y211 HydrophobicContact CE2-CD2 4.4Å; Y188-Y211 AromaticContact CE2-CE2 3.96Å; Y188-Y211 HydrophobicContact CE2-CE2 3.96Å
189	L	98.8	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	118	174.8	177.5	61.6	0	0	0	110.6	I164 L180 L186 L191 L203 L207 T209 L210 Y211	I164-L189 HydrophobicContact CB-CD1 3.96Å; I164-L189 HydrophobicContact CG2-CD1 3.88Å; L180-L189 HydrophobicContact CD1-CD1 3.87Å; L180-L189 HydrophobicContact CD1-CD2 3.44Å; L180-L189 VanDerWaalsContact CD1-CD2 3.44Å; L180-L189 HydrophobicContact CD1-CG 4.33Å; L186-L189 HydrophobicContact CD2-CB 4.34Å; L186-L189 HydrophobicContact CD2-CD2 4.48Å; L189-L191 HydrophobicContact CD1-CD1 4.25Å; L189-L191 HydrophobicContact CD1-CD2 4.4Å; L189-L191 HydrophobicContact CD1-CG 3.97Å; L189-L191 HydrophobicContact CD2-CD1 3.74Å; L189-L191 HydrophobicContact CD2-CG 4.32Å; L189-L191 HydrophobicContact CG-CD1 3.94Å; L189-L191 HydrophobicContact CG-CG 3.97Å; L189-L203 HydrophobicContact CD2-CD2 3.68Å; L189-L207 HydrophobicContact CB-CD2 3.69Å; L189-L207 HydrophobicContact CD2-CD1 4.32Å; L189-T209 PolarHBondContact N-O 3.45Å; L189-T209 VanDerWaalsContact N-O 3.08Å; L189-L210 HydrophobicContact CB-CD1 4.25Å; L189-L210 HydrophobicContact CD2-CD1 3.94Å; L189-L210 HydrophobicContact CG-CD1 4.16Å; L189-Y211 PolarHBondContact O-N 3.07Å
190	D	98.9	Very high	96.4	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.6	172.6	-170.4	-4.6	0	0	0	111	I164 L166 Q167 Y188 S192 Y211	I164-D190 PolarHBondContact O-N 2.94Å; L166-D190 CarbonylContact C-O 3.19Å; L166-D190 WeakPolarHBondContact CA-O 3.33Å; L166-D190 WeakPolarHBondContact CB-O 3Å; L166-D190 PolarHBondContact N-O 3.04Å; Q167-D190 VanDerWaalsContact CD-OD2 3.25Å; Q167-D190 WeakPolarHBondContact CG-OD2 3.04Å; Q167-D190 PolarHBondContact N-O 3.21Å; Q167-D190 PolarHBondContact NE2-OD2 3.4Å; Y188-D190 HydrophobicContact CE1-CB 3.66Å; D190-S192 VanDerWaalsContact OD1-CB 3.25Å; D190-S192 WeakPolarHBondContact OD1-CB 3.31Å; D190-S192 PolarHBondContact OD1-N 3.34Å; D190-S192 PolarHBondContact OD1-OG 2.85Å; D190-Y211 HydrophobicContact CB-CD2 4.38Å
191	L	98.8	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.			trans	-118.6	16.6	176.9	-71.4	167.1	0	0	0	111.3	L166 L171 V176 L189 N194 I196 Y211 L212 N215	L166-L191 HydrophobicContact CB-CD2 3.92Å; L166-L191 HydrophobicContact CD1-CD2 3.95Å; L171-L191 HydrophobicContact CD1-CD2 3.84Å; V176-L191 HydrophobicContact CG1-CD1 3.79Å; V176-L191 HydrophobicContact CG1-CD2 4.44Å; V176-L191 HydrophobicContact CG2-CD1 4.41Å; V176-L191 HydrophobicContact CG2-CD2 3.98Å; L189-L191 HydrophobicContact CD1-CD1 4.25Å; L189-L191 HydrophobicContact CD1-CD2 4.4Å; L189-L191 HydrophobicContact CD1-CG 3.97Å; L189-L191 HydrophobicContact CD2-CD1 3.74Å; L189-L191 HydrophobicContact CD2-CG 4.32Å; L189-L191 HydrophobicContact CG-CD1 3.94Å; L189-L191 HydrophobicContact CG-CG 3.97Å; L191-N194 WeakPolarHBondContact O-CB 3.31Å; L191-N194 PolarHBondContact O-ND2 3Å; L191-I196 HydrophobicContact CB-CD1 3.87Å; L191-I196 HydrophobicContact CD1-CD1 4.07Å; L191-I196 HydrophobicContact CD2-CD1 4.36Å; L191-I196 HydrophobicContact CG-CD1 4.34Å; L191-Y211 WeakPolarHBondContact CA-O 3.24Å; L191-Y211 PolarHBondContact N-O 3.29Å; L191-L212 HydrophobicContact CB-CD2 3.84Å; L191-L212 HydrophobicContact CD1-CD2 3.98Å; L191-N215 PolarHBondContact O-ND2 3.42Å
192	S	98.9	Very high	95.9	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.042	22%	0.219	C	C	.	.			trans	-60.2	157	179.5	60.5	0	0	0	0	112.2	Q167 H168 D190 N194 D213	Q167-S192 WeakPolarHBondContact CA-O 2.96Å; Q167-S192 VanDerWaalsContact CB-O 3.26Å; Q167-S192 WeakPolarHBondContact CB-O 3.1Å; Q167-S192 WeakPolarHBondContact CB-OG 3.39Å; H168-S192 PolarHBondContact N-O 2.98Å; H168-S192 VanDerWaalsContact N-O 3.14Å; D190-S192 VanDerWaalsContact OD1-CB 3.25Å; D190-S192 WeakPolarHBondContact OD1-CB 3.31Å; D190-S192 PolarHBondContact OD1-N 3.34Å; D190-S192 PolarHBondContact OD1-OG 2.85Å; S192-N194 PolarHBondContact O-N 3.23Å; S192-N194 PolarHBondContact O-ND2 2.82Å; S192-D213 CarbonylContact C-O 3.39Å; S192-D213 WeakPolarHBondContact CA-O 3.48Å; S192-D213 VanDerWaalsContact CB-CG 3.49Å; S192-D213 WeakPolarHBondContact CB-O 3.41Å; S192-D213 VanDerWaalsContact CB-OD1 3.32Å; S192-D213 WeakPolarHBondContact CB-OD1 3.09Å; S192-D213 VanDerWaalsContact CB-OD2 3.3Å; S192-D213 WeakPolarHBondContact CB-OD2 3.27Å
193	F	98.8	Very high	96.3	Very high	81 Å²	81	36.8 Å²	36.8	36%	0.355	20%	0.195	S	C	.	.	S	Bend	trans	53.4	51.3	178.8	-60.8	-90.5	0	0	0	113.5	H168 N169 D213 N214	H168-F193 VanDerWaalsContact CA-O 3.29Å; H168-F193 WeakPolarHBondContact CA-O 3.42Å; H168-F193 HydrophobicContact CB-CB 4.43Å; H168-F193 AromaticContact CE1-CD1 3.41Å; H168-F193 VanDerWaalsContact CE1-CD1 3.41Å; H168-F193 WeakPolarHBondContact CE1-CD1 3.34Å; H168-F193 AromaticContact CE1-CD2 3.52Å; H168-F193 AromaticContact CE1-CE1 3.86Å; H168-F193 AromaticContact CE1-CE2 3.98Å; H168-F193 AromaticContact CE1-CG 3.22Å; H168-F193 WeakPolarHBondContact CE1-CG 3.19Å; H168-F193 PolarHBondContact N-O 2.99Å; H168-F193 WeakPolarHBondContact ND1-CB 3.26Å; H168-F193 AromaticContact ND1-CD1 3.86Å; H168-F193 AromaticContact ND1-CG 3.54Å; H168-F193 AromaticContact NE2-CD2 3.5Å; H168-F193 AromaticContact NE2-CE2 3.89Å; H168-F193 AromaticContact NE2-CG 3.69Å; N169-F193 PolarHBondContact N-O 2.97Å; F193-D213 PolarHBondContact N-O 3.44Å; F193-N214 VanDerWaalsContact CA-O 3.24Å; F193-N214 WeakPolarHBondContact CA-O 3.33Å; F193-N214 HydrophobicContact CB-CB 4.38Å; F193-N214 HydrophobicContact CD1-CB 3.48Å; F193-N214 VanDerWaalsContact CD1-CB 3.48Å; F193-N214 HydrophobicContact CD2-CB 4.01Å; F193-N214 HydrophobicContact CE1-CB 3.62Å; F193-N214 WeakPolarHBondContact CE1-OD1 3.39Å; F193-N214 HydrophobicContact CE2-CB 4.12Å; F193-N214 HydrophobicContact CG-CB 3.69Å; F193-N214 HydrophobicContact CZ-CB 3.94Å; F193-N214 WeakPolarHBondContact CZ-ND2 3.46Å; F193-N214 PolarHBondContact N-O 3.22Å
194	N	98.8	Very high	96.3	Very high	11 Å²	11	36.9 Å²	36.9	6%	0.059	20%	0.196	C	C	.	.	S	Bend	trans	-123	-160.7	175.4	-86.3	-78.4	0	0	0	110.6	L166 N169 R170 L171 L191 S192 I196 N214 N215	L166-N194 PolarHBondContact O-ND2 3.01Å; N169-N194 WeakPolarHBondContact CA-OD1 3.33Å; N169-N194 WeakPolarHBondContact CB-OD1 3.33Å; N169-N194 PolarHBondContact O-OD1 2.84Å; R170-N194 PolarHBondContact N-OD1 2.88Å; L171-N194 HydrophobicContact CB-CB 4.31Å; L171-N194 VanDerWaalsContact CB-OD1 3.28Å; L171-N194 WeakPolarHBondContact CB-OD1 3.49Å; L171-N194 WeakPolarHBondContact CG-OD1 3.18Å; L171-N194 PolarHBondContact N-OD1 3.41Å; L191-N194 WeakPolarHBondContact O-CB 3.31Å; L191-N194 PolarHBondContact O-ND2 3Å; S192-N194 PolarHBondContact O-N 3.23Å; S192-N194 PolarHBondContact O-ND2 2.82Å; N194-I196 HydrophobicContact CB-CD1 4.37Å; N194-I196 HydrophobicContact CB-CG1 4.19Å; N194-N214 PolarHBondContact N-O 3.08Å; N194-N215 WeakPolarHBondContact CA-OD1 3.48Å; N194-N215 VanDerWaalsContact CB-OD1 3.23Å; N194-N215 WeakPolarHBondContact CB-OD1 3.44Å; N194-N215 PolarHBondContact N-OD1 2.97Å; N194-N215 PolarHBondContact O-OD1 3.23Å
195	Q	98.5	Very high	96.5	Very high	75 Å²	75	32.7 Å²	32.7	35%	0.35	18%	0.184	S	C	.	.			trans	-120.7	32.6	-179.5	-57.1	-179.9	22	0	0	111.5	L171 K172 A197 N215	L171-Q195 CarbonylContact O-C 3.27Å; L171-Q195 VanDerWaalsContact O-C 3.25Å; L171-Q195 WeakPolarHBondContact O-CA 3.36Å; L171-Q195 WeakPolarHBondContact O-CB 3.5Å; L171-Q195 PolarHBondContact O-N 2.94Å; K172-Q195 HydrophobicContact CG-CB 4.43Å; Q195-A197 PolarHBondContact O-N 3.49Å; Q195-N215 PolarHBondContact N-OD1 2.9Å
196	I	98.6	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.			trans	-75.4	117.1	-176.7	-60.8	174.3	0	0	0	108.7	L171 E173 V176 L191 N194 K198 L212 N215 K216 I217	L171-I196 PolarHBondContact O-N 3.11Å; E173-I196 HydrophobicContact CB-CG2 4.3Å; V176-I196 HydrophobicContact CG2-CD1 4.42Å; L191-I196 HydrophobicContact CB-CD1 3.87Å; L191-I196 HydrophobicContact CD1-CD1 4.07Å; L191-I196 HydrophobicContact CD2-CD1 4.36Å; L191-I196 HydrophobicContact CG-CD1 4.34Å; N194-I196 HydrophobicContact CB-CD1 4.37Å; N194-I196 HydrophobicContact CB-CG1 4.19Å; I196-K198 WeakPolarHBondContact CG2-O 3.25Å; I196-L212 HydrophobicContact CD1-CD2 3.94Å; I196-N215 HydrophobicContact CB-CB 4.28Å; I196-N215 VanDerWaalsContact CB-OD1 3.3Å; I196-N215 WeakPolarHBondContact CB-OD1 3.15Å; I196-N215 WeakPolarHBondContact CG1-OD1 3.42Å; I196-N215 PolarHBondContact N-OD1 3.02Å; I196-K216 CarbonylContact O-C 3.53Å; I196-K216 WeakPolarHBondContact O-CA 3.31Å; I196-K216 PolarHBondContact O-N 3.06Å; I196-I217 HydrophobicContact CG2-CD1 4.44Å; I196-I217 HydrophobicContact CG2-CG1 4.21Å; I196-I217 PolarHBondContact O-N 3.43Å
197	A	98.1	Very high	96.4	Very high	38 Å²	38	31.9 Å²	31.9	31%	0.314	18%	0.178	S	C	.	.			trans	-96.7	-19.9	178.9	0	0	0	0	0	112.9	E173 Q195 K216	E173-A197 PolarHBondContact OE2-N 3.31Å; Q195-A197 PolarHBondContact O-N 3.49Å; A197-K216 WeakPolarHBondContact CA-O 3.32Å; A197-K216 HydrophobicContact CB-CB 4.48Å
198	K	97.7	Very high	96.4	Very high	134 Å²	134	30.2 Å²	30.2	58%	0.583	17%	0.171	S	C	*	.	S	Bend	trans	-136.8	149	-179.5	-62.7	176.8	-177.2	172.7	0	110.4	E173 I196	E173-K198 HydrophobicContact CB-CB 4.39Å; E173-K198 VanDerWaalsContact CB-O 3.24Å; E173-K198 WeakPolarHBondContact CB-O 3.49Å; E173-K198 HydrophobicContact CG-CB 4.09Å; I196-K198 WeakPolarHBondContact CG2-O 3.25Å
199	L	97.4	Very high	96.4	Very high	11 Å²	11	29.7 Å²	29.7	6%	0.058	17%	0.169	C	C	.	.			trans	-62.1	128.4	175.7	-68.7	176	0	0	0	111	S201 L212 I217 I220 Y224 F225 L236	L199-S201 PolarHBondContact O-N 3.05Å; L199-L212 HydrophobicContact CD2-CD1 3.55Å; L199-I217 HydrophobicContact CD2-CD1 3.91Å; L199-I217 HydrophobicContact CD2-CG2 4.39Å; L199-I217 HydrophobicContact CG-CG2 4.29Å; L199-I220 HydrophobicContact CD1-CB 4.23Å; L199-I220 HydrophobicContact CD1-CG1 4.12Å; L199-I220 HydrophobicContact CD1-CG2 3.9Å; L199-Y224 HydrophobicContact CB-CD1 4.5Å; L199-Y224 HydrophobicContact CB-CD2 4.27Å; L199-Y224 HydrophobicContact CB-CE1 4.03Å; L199-Y224 HydrophobicContact CB-CE2 3.75Å; L199-Y224 HydrophobicContact CD1-CD1 3.64Å; L199-Y224 HydrophobicContact CD1-CD2 4.38Å; L199-Y224 HydrophobicContact CD1-CE1 3.81Å; L199-Y224 HydrophobicContact CD1-CG 3.95Å; L199-Y224 HydrophobicContact CD2-CE1 4.47Å; L199-Y224 HydrophobicContact CG-CE1 4.34Å; L199-F225 HydrophobicContact CD1-CE2 4.04Å; L199-F225 HydrophobicContact CD1-CZ 3.73Å; L199-F225 HydrophobicContact CD2-CZ 4.34Å; L199-L236 HydrophobicContact CD2-CD2 4.4Å
200	P	95.6	Very high	96.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.			trans	-61.4	128.1	-178.1	-24.4	33.8	0	0	0	113	V176 S177 G202 L203 Y224	V176-P200 HydrophobicContact CB-CB 4.09Å; V176-P200 HydrophobicContact CB-CG 3.95Å; V176-P200 HydrophobicContact CG1-CB 3.86Å; V176-P200 HydrophobicContact CG1-CG 3.74Å; S177-P200 VanDerWaalsContact OG-CA 3.29Å; S177-P200 WeakPolarHBondContact OG-CA 3.39Å; S177-P200 WeakPolarHBondContact OG-CB 3.49Å; P200-G202 PolarHBondContact O-N 3.23Å; P200-G202 VanDerWaalsContact O-N 3.08Å; P200-L203 HydrophobicContact CB-CD2 3.98Å; P200-L203 HydrophobicContact CB-CG 4.14Å; P200-L203 HydrophobicContact CG-CD2 4.32Å; P200-Y224 PolarHBondContact O-OH 3.15Å
201	S	88.6	Confident	96.5	Very high	101 Å²	101	29.6 Å²	29.6	71%	0.706	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	76.8	176.8	61.6	0	0	0	0	110.2	S177 L199	S177-S201 PolarHBondContact OG-N 3.28Å; L199-S201 PolarHBondContact O-N 3.05Å
202	G	82.2	Confident	96.5	Very high	18 Å²	18	29.6 Å²	29.6	19%	0.186	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	168.1	-0.7	-177.2	0	0	0	0	0	116.1	P200	P200-G202 PolarHBondContact O-N 3.23Å; P200-G202 VanDerWaalsContact O-N 3.08Å
203	L	94.6	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.			trans	-59.8	140.2	-178.7	-60	-173.1	0	0	0	111.6	V176 L180 L189 P200 L207 L210 Y224 R227 F228	V176-L203 HydrophobicContact CG1-CD2 3.99Å; L180-L203 HydrophobicContact CD1-CD2 3.88Å; L189-L203 HydrophobicContact CD2-CD2 3.68Å; P200-L203 HydrophobicContact CB-CD2 3.98Å; P200-L203 HydrophobicContact CB-CG 4.14Å; P200-L203 HydrophobicContact CG-CD2 4.32Å; L203-L207 HydrophobicContact CB-CD1 4.05Å; L203-L207 HydrophobicContact CD1-CD1 4.43Å; L203-L210 HydrophobicContact CD1-CD1 4Å; L203-L210 HydrophobicContact CD1-CD2 3.73Å; L203-Y224 WeakPolarHBondContact CD1-OH 3.4Å; L203-R227 PolarHBondContact O-NH1 3.06Å; L203-R227 PolarHBondContact O-NH2 3.24Å; L203-F228 HydrophobicContact CB-CE1 3.92Å; L203-F228 HydrophobicContact CB-CZ 3.92Å; L203-F228 HydrophobicContact CD1-CZ 4.46Å
204	P	94.2	Very high	96.4	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.052	17%	0.165	C	C	.	.			trans	-59.8	138.4	175.6	-31.1	40.3	0	0	0	113.9	L183 L186 S206 L207 F228	L183-P204 HydrophobicContact CB-CG 3.78Å; L183-P204 WeakPolarHBondContact O-CB 3.25Å; L183-P204 WeakPolarHBondContact O-CG 3.36Å; L186-P204 HydrophobicContact CB-CB 4.22Å; L186-P204 HydrophobicContact CB-CG 4.01Å; L186-P204 HydrophobicContact CD2-CG 3.83Å; P204-S206 WeakPolarHBondContact CB-OG 3.1Å; P204-S206 PolarHBondContact O-N 2.77Å; P204-L207 WeakPolarHBondContact O-CG 3.42Å; P204-L207 PolarHBondContact O-N 3.3Å; P204-F228 WeakPolarHBondContact O-CD1 3.43Å; P204-F228 WeakPolarHBondContact O-CE1 3.3Å
205	V	95	Very high	96.4	Very high	75 Å²	75	28.4 Å²	28.4	46%	0.455	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.6	175.7	-62	0	0	0	0	113.4	L207 R227	V205-L207 VanDerWaalsContact C-N 3.26Å; V205-L207 PolarHBondContact O-N 2.98Å; V205-R227 HydrophobicContact CG1-CG 4.49Å
206	S	96.5	Very high	96.4	Very high	28 Å²	28	29.9 Å²	29.9	20%	0.196	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.3	177.2	52.9	0	0	0	0	114	K184 L186 P204 L208	K184-S206 WeakPolarHBondContact O-CB 3.21Å; K184-S206 PolarHBondContact O-OG 3.29Å; L186-S206 PolarHBondContact N-OG 2.7Å; L186-S206 CarbonylContact O-C 3.56Å; L186-S206 WeakPolarHBondContact O-CB 3.28Å; L186-S206 PolarHBondContact O-OG 3.28Å; P204-S206 WeakPolarHBondContact CB-OG 3.1Å; P204-S206 PolarHBondContact O-N 2.77Å; S206-L208 PolarHBondContact O-N 2.8Å
207	L	98.1	Very high	96.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.			trans	-59.7	130.5	-176.1	-74.3	172.1	0	0	0	111.9	L186 L189 L203 P204 V205 L210 F228 A230 L231	L186-L207 HydrophobicContact CD2-CD2 3.94Å; L186-L207 HydrophobicContact CG-CD2 3.88Å; L186-L207 WeakPolarHBondContact O-CA 3.14Å; L186-L207 PolarHBondContact O-N 3.09Å; L189-L207 HydrophobicContact CB-CD2 3.69Å; L189-L207 HydrophobicContact CD2-CD1 4.32Å; L203-L207 HydrophobicContact CB-CD1 4.05Å; L203-L207 HydrophobicContact CD1-CD1 4.43Å; P204-L207 WeakPolarHBondContact O-CG 3.42Å; P204-L207 PolarHBondContact O-N 3.3Å; V205-L207 VanDerWaalsContact C-N 3.26Å; V205-L207 PolarHBondContact O-N 2.98Å; L207-L210 HydrophobicContact CD1-CD1 4.38Å; L207-F228 HydrophobicContact CB-CD1 4.26Å; L207-F228 HydrophobicContact CD1-CE1 4.03Å; L207-A230 CarbonylContact O-C 3.31Å; L207-L231 HydrophobicContact CB-CD1 4.32Å; L207-L231 VanDerWaalsContact O-CA 3.3Å; L207-L231 WeakPolarHBondContact O-CA 3.34Å; L207-L231 PolarHBondContact O-N 2.68Å
208	L	98.6	Very high	96.5	Very high	28 Å²	28	30.1 Å²	30.1	15%	0.147	17%	0.169	C	C	.	.	S	Bend	trans	-98.2	-35.8	169.3	-56.3	-176.8	0	0	0	110.8	L8 E187 S206 A230 Q232 Y233	L8-L208 HydrophobicContact CD1-CB 4.37Å; L8-L208 HydrophobicContact CD1-CD1 4.1Å; E187-L208 HydrophobicContact CB-CB 4.5Å; E187-L208 HydrophobicContact CB-CD1 4.05Å; E187-L208 HydrophobicContact CB-CG 4.02Å; E187-L208 HydrophobicContact CG-CD1 4.06Å; E187-L208 HydrophobicContact CG-CG 4.15Å; E187-L208 WeakPolarHBondContact O-CA 3.37Å; E187-L208 PolarHBondContact O-N 2.81Å; S206-L208 PolarHBondContact O-N 2.8Å; L208-A230 HydrophobicContact CD2-CB 3.51Å; L208-A230 WeakPolarHBondContact CD2-O 3.4Å; L208-Q232 PolarHBondContact O-N 3.19Å; L208-Y233 PolarHBondContact O-N 3.48Å; L208-Y233 VanDerWaalsContact O-N 3.09Å
209	T	98.9	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.4	-177.8	-57.3	0	0	0	0	110.4	E187 Y188 L189 Y211 Y233	E187-T209 PolarHBondContact O-N 3.25Å; Y188-T209 HydrophobicContact CD2-CG2 3.6Å; Y188-T209 HydrophobicContact CE2-CG2 3.64Å; L189-T209 PolarHBondContact N-O 3.45Å; L189-T209 VanDerWaalsContact N-O 3.08Å; T209-Y211 HydrophobicContact CG2-CD1 3.88Å; T209-Y211 HydrophobicContact CG2-CD2 4.47Å; T209-Y211 HydrophobicContact CG2-CE1 3.37Å; T209-Y211 HydrophobicContact CG2-CE2 4.04Å; T209-Y211 HydrophobicContact CG2-CG 4.4Å; T209-Y211 VanDerWaalsContact CG2-CZ 3.46Å; T209-Y233 WeakPolarHBondContact CA-O 3.47Å
210	L	98.8	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	112.7	177.1	177.9	58.9	0	0	0	110.2	L189 L203 L207 L212 F225 L231 Y233 L234 R235	L189-L210 HydrophobicContact CB-CD1 4.25Å; L189-L210 HydrophobicContact CD2-CD1 3.94Å; L189-L210 HydrophobicContact CG-CD1 4.16Å; L203-L210 HydrophobicContact CD1-CD1 4Å; L203-L210 HydrophobicContact CD1-CD2 3.73Å; L207-L210 HydrophobicContact CD1-CD1 4.38Å; L210-L212 HydrophobicContact CD1-CD1 4.11Å; L210-L212 HydrophobicContact CD1-CG 4.06Å; L210-L212 HydrophobicContact CD2-CD1 3.82Å; L210-L212 HydrophobicContact CG-CD1 3.85Å; L210-L212 HydrophobicContact CG-CG 4.12Å; L210-F225 HydrophobicContact CD2-CE1 4.33Å; L210-L231 HydrophobicContact CB-CD1 3.88Å; L210-Y233 PolarHBondContact N-O 3.38Å; L210-L234 HydrophobicContact CB-CD1 4.23Å; L210-L234 HydrophobicContact CD2-CD1 4.15Å; L210-L234 HydrophobicContact CG-CD1 4.19Å; L210-L234 WeakPolarHBondContact O-CA 3.31Å; L210-R235 PolarHBondContact O-N 3.31Å; L210-R235 VanDerWaalsContact O-N 3.1Å
211	Y	98.9	Very high	96.5	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124	175.1	-59.8	-21.6	0	0	0	110.6	Y188 L189 D190 L191 T209 R235	Y188-Y211 HydrophobicContact CE2-CD2 4.4Å; Y188-Y211 AromaticContact CE2-CE2 3.96Å; Y188-Y211 HydrophobicContact CE2-CE2 3.96Å; L189-Y211 PolarHBondContact O-N 3.07Å; D190-Y211 HydrophobicContact CB-CD2 4.38Å; L191-Y211 WeakPolarHBondContact CA-O 3.24Å; L191-Y211 PolarHBondContact N-O 3.29Å; T209-Y211 HydrophobicContact CG2-CD1 3.88Å; T209-Y211 HydrophobicContact CG2-CD2 4.47Å; T209-Y211 HydrophobicContact CG2-CE1 3.37Å; T209-Y211 HydrophobicContact CG2-CE2 4.04Å; T209-Y211 HydrophobicContact CG2-CG 4.4Å; T209-Y211 VanDerWaalsContact CG2-CZ 3.46Å; Y211-R235 HydrophobicContact CD1-CB 3.75Å; Y211-R235 HydrophobicContact CD1-CG 3.58Å; Y211-R235 HydrophobicContact CE1-CB 4.39Å; Y211-R235 HydrophobicContact CE1-CG 3.7Å; Y211-R235 HydrophobicContact CG-CB 4.39Å; Y211-R235 HydrophobicContact CG-CG 4.47Å
212	L	98.8	Very high	96.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.			trans	-135.7	14.9	-177.7	-75.3	165.6	0	0	0	110.8	L191 I196 L199 L210 N215 I217 R235 L236 N239	L191-L212 HydrophobicContact CB-CD2 3.84Å; L191-L212 HydrophobicContact CD1-CD2 3.98Å; I196-L212 HydrophobicContact CD1-CD2 3.94Å; L199-L212 HydrophobicContact CD2-CD1 3.55Å; L210-L212 HydrophobicContact CD1-CD1 4.11Å; L210-L212 HydrophobicContact CD1-CG 4.06Å; L210-L212 HydrophobicContact CD2-CD1 3.82Å; L210-L212 HydrophobicContact CG-CD1 3.85Å; L210-L212 HydrophobicContact CG-CG 4.12Å; L212-N215 PolarHBondContact O-ND2 3.08Å; L212-N215 VanDerWaalsContact O-ND2 3.1Å; L212-I217 HydrophobicContact CB-CD1 3.92Å; L212-I217 HydrophobicContact CD1-CD1 4.29Å; L212-I217 HydrophobicContact CD2-CD1 4.29Å; L212-I217 HydrophobicContact CG-CD1 4.42Å; L212-R235 CarbonylContact C-O 3.55Å; L212-R235 WeakPolarHBondContact CA-O 3.46Å; L212-R235 PolarHBondContact N-O 2.92Å; L212-L236 HydrophobicContact CB-CD2 3.73Å; L212-L236 HydrophobicContact CD1-CD2 4.04Å; L212-N239 PolarHBondContact O-ND2 2.86Å
213	D	98.6	Very high	97.2	Very high	16 Å²	16	36 Å²	36	9%	0.086	20%	0.196	C	C	.	.			trans	-63.9	159.9	177.5	59.9	-82.2	0	0	0	111.8	S192 F193 N215 R235 S237	S192-D213 CarbonylContact C-O 3.39Å; S192-D213 WeakPolarHBondContact CA-O 3.48Å; S192-D213 VanDerWaalsContact CB-CG 3.49Å; S192-D213 WeakPolarHBondContact CB-O 3.41Å; S192-D213 VanDerWaalsContact CB-OD1 3.32Å; S192-D213 WeakPolarHBondContact CB-OD1 3.09Å; S192-D213 VanDerWaalsContact CB-OD2 3.3Å; S192-D213 WeakPolarHBondContact CB-OD2 3.27Å; F193-D213 PolarHBondContact N-O 3.44Å; D213-N215 VanDerWaalsContact C-N 3.35Å; D213-N215 PolarHBondContact O-N 3.23Å; D213-N215 PolarHBondContact O-ND2 2.8Å; D213-N215 VanDerWaalsContact O-ND2 3.08Å; D213-R235 HydrophobicContact CB-CB 4.37Å; D213-R235 PolarHBondContact N-O 3.49Å; D213-S237 CarbonylContact C-O 3.46Å; D213-S237 WeakPolarHBondContact CA-O 3.4Å; D213-S237 VanDerWaalsContact CB-O 3.31Å; D213-S237 WeakPolarHBondContact CB-O 3.42Å; D213-S237 VanDerWaalsContact CB-OG 3.31Å; D213-S237 WeakPolarHBondContact CB-OG 3.25Å
214	N	98.8	Very high	97.2	Very high	47 Å²	47	37 Å²	37	25%	0.251	20%	0.199	S	C	.	.	S	Bend	trans	55.7	48.5	-179.8	-66.5	-86.2	0	0	0	112.7	F193 N194 S237 H238	F193-N214 VanDerWaalsContact CA-O 3.24Å; F193-N214 WeakPolarHBondContact CA-O 3.33Å; F193-N214 HydrophobicContact CB-CB 4.38Å; F193-N214 HydrophobicContact CD1-CB 3.48Å; F193-N214 VanDerWaalsContact CD1-CB 3.48Å; F193-N214 HydrophobicContact CD2-CB 4.01Å; F193-N214 HydrophobicContact CE1-CB 3.62Å; F193-N214 WeakPolarHBondContact CE1-OD1 3.39Å; F193-N214 HydrophobicContact CE2-CB 4.12Å; F193-N214 HydrophobicContact CG-CB 3.69Å; F193-N214 HydrophobicContact CZ-CB 3.94Å; F193-N214 WeakPolarHBondContact CZ-ND2 3.46Å; F193-N214 PolarHBondContact N-O 3.22Å; N194-N214 PolarHBondContact N-O 3.08Å; N214-S237 PolarHBondContact N-O 3Å; N214-H238 WeakPolarHBondContact CA-O 3.29Å; N214-H238 HydrophobicContact CB-CB 4.42Å; N214-H238 PolarHBondContact N-O 3.05Å; N214-H238 WeakPolarHBondContact OD1-CB 3.41Å
215	N	98.9	Very high	97.4	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.059	20%	0.197	C	C	.	.	S	Bend	trans	-124.3	-160.1	174.9	-85.3	-78.7	0	0	0	109.8	L191 N194 Q195 I196 L212 D213 I217 H238 N239	L191-N215 PolarHBondContact O-ND2 3.42Å; N194-N215 WeakPolarHBondContact CA-OD1 3.48Å; N194-N215 VanDerWaalsContact CB-OD1 3.23Å; N194-N215 WeakPolarHBondContact CB-OD1 3.44Å; N194-N215 PolarHBondContact N-OD1 2.97Å; N194-N215 PolarHBondContact O-OD1 3.23Å; Q195-N215 PolarHBondContact N-OD1 2.9Å; I196-N215 HydrophobicContact CB-CB 4.28Å; I196-N215 VanDerWaalsContact CB-OD1 3.3Å; I196-N215 WeakPolarHBondContact CB-OD1 3.15Å; I196-N215 WeakPolarHBondContact CG1-OD1 3.42Å; I196-N215 PolarHBondContact N-OD1 3.02Å; L212-N215 PolarHBondContact O-ND2 3.08Å; L212-N215 VanDerWaalsContact O-ND2 3.1Å; D213-N215 VanDerWaalsContact C-N 3.35Å; D213-N215 PolarHBondContact O-N 3.23Å; D213-N215 PolarHBondContact O-ND2 2.8Å; D213-N215 VanDerWaalsContact O-ND2 3.08Å; N215-I217 HydrophobicContact CB-CD1 4.32Å; N215-I217 HydrophobicContact CB-CG1 4.26Å; N215-H238 PolarHBondContact N-O 2.77Å; N215-N239 WeakPolarHBondContact CA-OD1 3.46Å; N215-N239 VanDerWaalsContact CB-OD1 3.22Å; N215-N239 WeakPolarHBondContact CB-OD1 3.22Å; N215-N239 PolarHBondContact O-OD1 3.2Å
216	K	98.6	Very high	97.3	Very high	106 Å²	106	36.6 Å²	36.6	46%	0.461	19%	0.191	S	C	.	.			trans	-123.2	28.1	-177.8	-57	-174.9	-178.5	-176.4	0	111.8	I196 A197 S218 N239	I196-K216 CarbonylContact O-C 3.53Å; I196-K216 WeakPolarHBondContact O-CA 3.31Å; I196-K216 PolarHBondContact O-N 3.06Å; A197-K216 WeakPolarHBondContact CA-O 3.32Å; A197-K216 HydrophobicContact CB-CB 4.48Å; K216-S218 PolarHBondContact O-N 3.13Å; K216-N239 PolarHBondContact N-OD1 3.29Å
217	I	98.8	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.			trans	-71.7	120.6	-174	-59	164.4	0	0	0	108.6	I196 L199 L212 N215 L236 N239 E240 L241	I196-I217 HydrophobicContact CG2-CD1 4.44Å; I196-I217 HydrophobicContact CG2-CG1 4.21Å; I196-I217 PolarHBondContact O-N 3.43Å; L199-I217 HydrophobicContact CD2-CD1 3.91Å; L199-I217 HydrophobicContact CD2-CG2 4.39Å; L199-I217 HydrophobicContact CG-CG2 4.29Å; L212-I217 HydrophobicContact CB-CD1 3.92Å; L212-I217 HydrophobicContact CD1-CD1 4.29Å; L212-I217 HydrophobicContact CD2-CD1 4.29Å; L212-I217 HydrophobicContact CG-CD1 4.42Å; N215-I217 HydrophobicContact CB-CD1 4.32Å; N215-I217 HydrophobicContact CB-CG1 4.26Å; I217-L236 HydrophobicContact CD1-CD2 3.76Å; I217-N239 HydrophobicContact CB-CB 4.34Å; I217-N239 VanDerWaalsContact CB-OD1 3.29Å; I217-N239 WeakPolarHBondContact CB-OD1 3.4Å; I217-N239 WeakPolarHBondContact CG1-OD1 3.42Å; I217-N239 PolarHBondContact N-OD1 2.72Å; I217-E240 CarbonylContact O-C 3.1Å; I217-E240 VanDerWaalsContact O-C 3.31Å; I217-E240 WeakPolarHBondContact O-CA 3.28Å; I217-E240 PolarHBondContact O-N 3.27Å; I217-L241 HydrophobicContact CG2-CD2 4.05Å; I217-L241 PolarHBondContact O-N 3.15Å
218	S	98.1	Very high	97	Very high	42 Å²	42	40 Å²	40	29%	0.294	20%	0.199	S	C	.	.			trans	-114.2	-13.5	178.8	71.4	0	0	0	0	113.8	K216	K216-S218 PolarHBondContact O-N 3.13Å
219	N	97.6	Very high	96.8	Very high	88 Å²	88	45.2 Å²	45.2	47%	0.471	23%	0.227	S	C	.	.			trans	-141.8	142.6	-175.5	-63.7	-71.5	0	0	0	111.8	G245	N219-G245 CarbonylContact C-O 3.37Å; N219-G245 WeakPolarHBondContact CA-O 3.13Å; N219-G245 VanDerWaalsContact OD1-CA 3.28Å; N219-G245 WeakPolarHBondContact OD1-CA 3.13Å
220	I	97.8	Very high	96.7	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.036	24%	0.241	C	C	.	.			trans	-113.8	123.9	174.7	-57	176.6	0	0	0	107.6	L199 F225 L241 G245 I246 P247 F251	L199-I220 HydrophobicContact CD1-CB 4.23Å; L199-I220 HydrophobicContact CD1-CG1 4.12Å; L199-I220 HydrophobicContact CD1-CG2 3.9Å; I220-F225 HydrophobicContact CD1-CE2 4.2Å; I220-F225 HydrophobicContact CG2-CD2 4.19Å; I220-F225 HydrophobicContact CG2-CE2 3.8Å; I220-L241 HydrophobicContact CD1-CD1 4.37Å; I220-L241 HydrophobicContact CD1-CD2 4.04Å; I220-L241 HydrophobicContact CG1-CD2 3.84Å; I220-G245 PolarHBondContact N-O 3.29Å; I220-I246 HydrophobicContact CD1-CG1 3.98Å; I220-I246 HydrophobicContact CD1-CG2 4.49Å; I220-P247 WeakPolarHBondContact O-CD 3.32Å; I220-P247 VanDerWaalsContact O-CG 3.31Å; I220-P247 WeakPolarHBondContact O-CG 3.24Å; I220-F251 HydrophobicContact CD1-CE1 3.92Å; I220-F251 HydrophobicContact CD1-CE2 3.79Å; I220-F251 HydrophobicContact CD1-CZ 3.2Å
221	P	96.2	Very high	96.7	Very high	65 Å²	65	46.9 Å²	46.9	42%	0.422	24%	0.241	S	C	.	.			trans	-64.1	151.9	173.8	-20.9	33.5	0	0	0	112	E223 Y224	P221-E223 PolarHBondContact O-N 3.49Å; P221-Y224 HydrophobicContact CB-CD2 4.28Å; P221-Y224 HydrophobicContact CG-CD2 3.92Å; P221-Y224 VanDerWaalsContact O-CB 3.25Å; P221-Y224 WeakPolarHBondContact O-CB 3.24Å; P221-Y224 PolarHBondContact O-N 2.81Å
222	D	92.9	Very high	96.7	Very high	126 Å²	126	49.5 Å²	49.5	67%	0.674	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	135.5	175	-73.1	-20.8	0	0	0	111.4	Y224 P247	D222-Y224 PolarHBondContact O-N 3.37Å; D222-P247 WeakPolarHBondContact OD1-CB 3.46Å; D222-P247 WeakPolarHBondContact OD1-CG 3.48Å
223	E	91.9	Very high	96.7	Very high	102 Å²	102	51.2 Å²	51.2	48%	0.477	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	12.6	175.8	-51.7	-71.6	113.8	0	0	114.7	P221 F225 K226	P221-E223 PolarHBondContact O-N 3.49Å; E223-F225 PolarHBondContact O-N 2.97Å; E223-K226 VanDerWaalsContact CD-CE 3.47Å; E223-K226 PolarHBondContact O-N 2.93Å; E223-K226 VanDerWaalsContact OE1-CE 3.22Å; E223-K226 WeakPolarHBondContact OE1-CE 3.38Å; E223-K226 IonicContact OE1-NZ 3.94Å; E223-K226 PolarHBondContact OE1-NZ 3.4Å; E223-K226 WeakPolarHBondContact OE2-CD 3.26Å; E223-K226 WeakPolarHBondContact OE2-CE 3.45Å; E223-K226 IonicContact OE2-NZ 2.89Å; E223-K226 PolarHBondContact OE2-NZ 3.38Å
224	Y	96.1	Very high	96.7	Very high	20 Å²	20	50.4 Å²	50.4	8%	0.078	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-55.5	-46	-170.3	-176.9	-87.8	0	0	0	113.1	L199 P200 L203 P221 D222 R227 F228	L199-Y224 HydrophobicContact CB-CD1 4.5Å; L199-Y224 HydrophobicContact CB-CD2 4.27Å; L199-Y224 HydrophobicContact CB-CE1 4.03Å; L199-Y224 HydrophobicContact CB-CE2 3.75Å; L199-Y224 HydrophobicContact CD1-CD1 3.64Å; L199-Y224 HydrophobicContact CD1-CD2 4.38Å; L199-Y224 HydrophobicContact CD1-CE1 3.81Å; L199-Y224 HydrophobicContact CD1-CG 3.95Å; L199-Y224 HydrophobicContact CD2-CE1 4.47Å; L199-Y224 HydrophobicContact CG-CE1 4.34Å; P200-Y224 PolarHBondContact O-OH 3.15Å; L203-Y224 WeakPolarHBondContact CD1-OH 3.4Å; P221-Y224 HydrophobicContact CB-CD2 4.28Å; P221-Y224 HydrophobicContact CG-CD2 3.92Å; P221-Y224 VanDerWaalsContact O-CB 3.25Å; P221-Y224 WeakPolarHBondContact O-CB 3.24Å; P221-Y224 PolarHBondContact O-N 2.81Å; D222-Y224 PolarHBondContact O-N 3.37Å; Y224-R227 WeakPolarHBondContact O-CD 3.32Å; Y224-R227 VanDerWaalsContact O-CG 3.28Å; Y224-R227 WeakPolarHBondContact O-CG 3.34Å; Y224-F228 HydrophobicContact CD1-CE2 4.12Å; Y224-F228 AromaticContact CE1-CE2 3.84Å; Y224-F228 HydrophobicContact CE1-CE2 3.84Å; Y224-F228 HydrophobicContact CE1-CZ 4.12Å; Y224-F228 WeakPolarHBondContact O-CE2 3.29Å
225	F	96.8	Very high	96.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-82.6	-14.2	-177.9	-63.7	-68.8	0	0	0	114	L199 L210 I220 E223 R227 F228 L231 L234 L236 F251 V253	L199-F225 HydrophobicContact CD1-CE2 4.04Å; L199-F225 HydrophobicContact CD1-CZ 3.73Å; L199-F225 HydrophobicContact CD2-CZ 4.34Å; L210-F225 HydrophobicContact CD2-CE1 4.33Å; I220-F225 HydrophobicContact CD1-CE2 4.2Å; I220-F225 HydrophobicContact CG2-CD2 4.19Å; I220-F225 HydrophobicContact CG2-CE2 3.8Å; E223-F225 PolarHBondContact O-N 2.97Å; F225-R227 PolarHBondContact O-N 2.89Å; F225-F228 HydrophobicContact CD1-CD2 4.27Å; F225-F228 HydrophobicContact CD1-CE2 4.14Å; F225-F228 WeakPolarHBondContact O-CD2 3.38Å; F225-F228 PolarHBondContact O-N 2.64Å; F225-L231 HydrophobicContact CD1-CD2 4.12Å; F225-L234 HydrophobicContact CD1-CD2 3.87Å; F225-L234 HydrophobicContact CD2-CD2 4.28Å; F225-L234 HydrophobicContact CE1-CD1 3.89Å; F225-L234 HydrophobicContact CE1-CD2 3.66Å; F225-L234 HydrophobicContact CE1-CG 4.47Å; F225-L234 HydrophobicContact CE2-CD2 4.09Å; F225-L234 HydrophobicContact CG-CD2 4.18Å; F225-L234 HydrophobicContact CZ-CD1 4.26Å; F225-L234 HydrophobicContact CZ-CD2 3.79Å; F225-L236 HydrophobicContact CE2-CD1 4.26Å; F225-L236 HydrophobicContact CZ-CD1 3.96Å; F225-F251 HydrophobicContact CD2-CD1 4.15Å; F225-F251 HydrophobicContact CD2-CE1 4.06Å; F225-F251 HydrophobicContact CE2-CD1 4.32Å; F225-F251 AromaticContact CE2-CE1 3.76Å; F225-F251 HydrophobicContact CE2-CE1 3.76Å; F225-V253 HydrophobicContact CB-CG2 3.74Å
226	K	93.4	Very high	96.7	Very high	75 Å²	75	49.5 Å²	49.5	33%	0.326	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-70.3	-17.1	-177.8	-59.9	-153.2	-159	155.5	0	113.7	E223 F228	E223-K226 VanDerWaalsContact CD-CE 3.47Å; E223-K226 PolarHBondContact O-N 2.93Å; E223-K226 VanDerWaalsContact OE1-CE 3.22Å; E223-K226 WeakPolarHBondContact OE1-CE 3.38Å; E223-K226 IonicContact OE1-NZ 3.94Å; E223-K226 PolarHBondContact OE1-NZ 3.4Å; E223-K226 WeakPolarHBondContact OE2-CD 3.26Å; E223-K226 WeakPolarHBondContact OE2-CE 3.45Å; E223-K226 IonicContact OE2-NZ 2.89Å; E223-K226 PolarHBondContact OE2-NZ 3.38Å; K226-F228 VanDerWaalsContact C-N 3.31Å
227	R	93.9	Very high	96.7	Very high	99 Å²	99	44.8 Å²	44.8	37%	0.374	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-75	-16.7	175.2	71	-168.5	-76.1	-99.3	-7.5	113.9	L203 V205 Y224 F225 N229	L203-R227 PolarHBondContact O-NH1 3.06Å; L203-R227 PolarHBondContact O-NH2 3.24Å; V205-R227 HydrophobicContact CG1-CG 4.49Å; Y224-R227 WeakPolarHBondContact O-CD 3.32Å; Y224-R227 VanDerWaalsContact O-CG 3.28Å; Y224-R227 WeakPolarHBondContact O-CG 3.34Å; F225-R227 PolarHBondContact O-N 2.89Å; R227-N229 PolarHBondContact O-N 2.96Å
228	F	95.8	Very high	96.7	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	25%	0.246	C	C	.	.			trans	-93.5	93.1	-179	-53.7	-91.5	0	0	0	109.6	L203 P204 L207 Y224 F225 K226 A230 L231	L203-F228 HydrophobicContact CB-CE1 3.92Å; L203-F228 HydrophobicContact CB-CZ 3.92Å; L203-F228 HydrophobicContact CD1-CZ 4.46Å; P204-F228 WeakPolarHBondContact O-CD1 3.43Å; P204-F228 WeakPolarHBondContact O-CE1 3.3Å; L207-F228 HydrophobicContact CB-CD1 4.26Å; L207-F228 HydrophobicContact CD1-CE1 4.03Å; Y224-F228 HydrophobicContact CD1-CE2 4.12Å; Y224-F228 AromaticContact CE1-CE2 3.84Å; Y224-F228 HydrophobicContact CE1-CE2 3.84Å; Y224-F228 HydrophobicContact CE1-CZ 4.12Å; Y224-F228 WeakPolarHBondContact O-CE2 3.29Å; F225-F228 HydrophobicContact CD1-CD2 4.27Å; F225-F228 HydrophobicContact CD1-CE2 4.14Å; F225-F228 WeakPolarHBondContact O-CD2 3.38Å; F225-F228 PolarHBondContact O-N 2.64Å; K226-F228 VanDerWaalsContact C-N 3.31Å; F228-A230 PolarHBondContact O-N 2.67Å; F228-L231 HydrophobicContact CB-CB 3.62Å; F228-L231 HydrophobicContact CB-CD2 4.32Å; F228-L231 HydrophobicContact CG-CB 4.48Å; F228-L231 HydrophobicContact CG-CD2 4.49Å
229	N	93.8	Very high	96.8	Very high	137 Å²	137	47 Å²	47	73%	0.733	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-15.7	-174.5	-60.4	-38.2	0	0	0	113.9	R227 S255	R227-N229 PolarHBondContact O-N 2.96Å; N229-S255 WeakPolarHBondContact O-CB 3.49Å
230	A	96.8	Very high	96.8	Very high	36 Å²	36	46.7 Å²	46.7	30%	0.298	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	2.4	-173.8	0	0	0	0	0	113.4	L207 L208 F228 Q232	L207-A230 CarbonylContact O-C 3.31Å; L208-A230 HydrophobicContact CD2-CB 3.51Å; L208-A230 WeakPolarHBondContact CD2-O 3.4Å; F228-A230 PolarHBondContact O-N 2.67Å; A230-Q232 PolarHBondContact O-N 2.87Å
231	L	98.4	Very high	96.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.			trans	-67.8	122	-177.4	-174	71.5	0	0	0	110.1	L207 L210 F225 F228 L234 S255 L256	L207-L231 HydrophobicContact CB-CD1 4.32Å; L207-L231 VanDerWaalsContact O-CA 3.3Å; L207-L231 WeakPolarHBondContact O-CA 3.34Å; L207-L231 PolarHBondContact O-N 2.68Å; L210-L231 HydrophobicContact CB-CD1 3.88Å; F225-L231 HydrophobicContact CD1-CD2 4.12Å; F228-L231 HydrophobicContact CB-CB 3.62Å; F228-L231 HydrophobicContact CB-CD2 4.32Å; F228-L231 HydrophobicContact CG-CB 4.48Å; F228-L231 HydrophobicContact CG-CD2 4.49Å; L231-L234 HydrophobicContact CD2-CB 4.4Å; L231-L234 HydrophobicContact CD2-CD2 4.44Å; L231-S255 PolarHBondContact N-OG 2.95Å; L231-S255 CarbonylContact O-C 3.53Å; L231-S255 VanDerWaalsContact O-CB 3.27Å; L231-S255 WeakPolarHBondContact O-CB 3.46Å; L231-S255 VanDerWaalsContact O-O 3.14Å; L231-S255 PolarHBondContact O-OG 2.78Å; L231-L256 HydrophobicContact CD2-CD2 4.11Å; L231-L256 HydrophobicContact CG-CD2 3.97Å; L231-L256 PolarHBondContact O-N 3.3Å
232	Q	98.8	Very high	96.9	Very high	61 Å²	61	44.6 Å²	44.6	29%	0.285	22%	0.22	S	C	.	.			trans	-111.2	-37	-176.9	-71	173.1	26.6	0	0	112.1	L208 A230 V257 E258	L208-Q232 PolarHBondContact O-N 3.19Å; A230-Q232 PolarHBondContact O-N 2.87Å; Q232-V257 HydrophobicContact CB-CG2 4.21Å; Q232-V257 HydrophobicContact CG-CG2 4.27Å; Q232-V257 PolarHBondContact O-N 2.83Å; Q232-E258 PolarHBondContact O-N 3.34Å
233	Y	98.9	Very high	97.1	Very high	36 Å²	36	40.9 Å²	40.9	14%	0.141	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.1	-173.9	-54.1	-89.7	0	0	0	110.1	L8 L12 L208 T209 L210 V257 E258	L8-Y233 HydrophobicContact CD2-CD2 4.32Å; L8-Y233 HydrophobicContact CD2-CE2 3.66Å; L12-Y233 HydrophobicContact CD1-CD1 4.35Å; L12-Y233 HydrophobicContact CD1-CD2 4.28Å; L12-Y233 HydrophobicContact CD1-CE1 3.7Å; L12-Y233 HydrophobicContact CD1-CE2 3.62Å; L12-Y233 WeakPolarHBondContact CD1-OH 3.43Å; L12-Y233 HydrophobicContact CD2-CD1 3.25Å; L12-Y233 HydrophobicContact CD2-CD2 3.65Å; L12-Y233 HydrophobicContact CD2-CE1 3.47Å; L12-Y233 VanDerWaalsContact CD2-CE1 3.47Å; L12-Y233 HydrophobicContact CD2-CE2 3.85Å; L12-Y233 HydrophobicContact CD2-CG 3.36Å; L12-Y233 HydrophobicContact CG-CD1 4.42Å; L12-Y233 HydrophobicContact CG-CE1 4.2Å; L12-Y233 HydrophobicContact CG-CE2 4.34Å; L208-Y233 PolarHBondContact O-N 3.48Å; L208-Y233 VanDerWaalsContact O-N 3.09Å; T209-Y233 WeakPolarHBondContact CA-O 3.47Å; L210-Y233 PolarHBondContact N-O 3.38Å; Y233-V257 HydrophobicContact CE1-CG1 4.49Å; Y233-E258 HydrophobicContact CD1-CB 3.63Å; Y233-E258 HydrophobicContact CD1-CG 4.48Å; Y233-E258 HydrophobicContact CE1-CB 4.22Å
234	L	98.9	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.1	-179.9	177.7	58.6	0	0	0	110.3	L210 F225 L231 L236 F251 L256 E258 L259 D260	L210-L234 HydrophobicContact CB-CD1 4.23Å; L210-L234 HydrophobicContact CD2-CD1 4.15Å; L210-L234 HydrophobicContact CG-CD1 4.19Å; L210-L234 WeakPolarHBondContact O-CA 3.31Å; F225-L234 HydrophobicContact CD1-CD2 3.87Å; F225-L234 HydrophobicContact CD2-CD2 4.28Å; F225-L234 HydrophobicContact CE1-CD1 3.89Å; F225-L234 HydrophobicContact CE1-CD2 3.66Å; F225-L234 HydrophobicContact CE1-CG 4.47Å; F225-L234 HydrophobicContact CE2-CD2 4.09Å; F225-L234 HydrophobicContact CG-CD2 4.18Å; F225-L234 HydrophobicContact CZ-CD1 4.26Å; F225-L234 HydrophobicContact CZ-CD2 3.79Å; L231-L234 HydrophobicContact CD2-CB 4.4Å; L231-L234 HydrophobicContact CD2-CD2 4.44Å; L234-L236 HydrophobicContact CD1-CD1 4.15Å; L234-L236 HydrophobicContact CD1-CG 4.13Å; L234-L236 HydrophobicContact CD2-CD1 4.01Å; L234-L236 HydrophobicContact CG-CD1 4.06Å; L234-L236 HydrophobicContact CG-CG 4.33Å; L234-F251 HydrophobicContact CD2-CD1 4.21Å; L234-F251 HydrophobicContact CD2-CE1 4.08Å; L234-L256 HydrophobicContact CB-CD2 3.9Å; L234-E258 PolarHBondContact N-O 2.86Å; L234-E258 VanDerWaalsContact N-O 3.07Å; L234-L259 HydrophobicContact CB-CD1 4.15Å; L234-L259 HydrophobicContact CD2-CD1 3.9Å; L234-L259 HydrophobicContact CG-CD1 3.98Å; L234-L259 WeakPolarHBondContact O-CA 3.5Å; L234-D260 PolarHBondContact O-N 2.89Å
235	R	98.9	Very high	97.4	Very high	39 Å²	39	41 Å²	41	15%	0.147	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.2	173.6	-62.8	-173.1	178.9	162.8	1	110.9	L210 Y211 L212 D213 E258 D260	L210-R235 PolarHBondContact O-N 3.31Å; L210-R235 VanDerWaalsContact O-N 3.1Å; Y211-R235 HydrophobicContact CD1-CB 3.75Å; Y211-R235 HydrophobicContact CD1-CG 3.58Å; Y211-R235 HydrophobicContact CE1-CB 4.39Å; Y211-R235 HydrophobicContact CE1-CG 3.7Å; Y211-R235 HydrophobicContact CG-CB 4.39Å; Y211-R235 HydrophobicContact CG-CG 4.47Å; L212-R235 CarbonylContact C-O 3.55Å; L212-R235 WeakPolarHBondContact CA-O 3.46Å; L212-R235 PolarHBondContact N-O 2.92Å; D213-R235 HydrophobicContact CB-CB 4.37Å; D213-R235 PolarHBondContact N-O 3.49Å; R235-E258 IonicContact CZ-OE1 3.16Å; R235-E258 IonicContact NE-OE1 2.78Å; R235-E258 PolarHBondContact NE-OE1 3.28Å; R235-E258 IonicContact NH2-OE1 3.49Å; R235-E258 PolarHBondContact NH2-OE1 3.49Å; R235-E258 VanDerWaalsContact NH2-OE1 3.14Å; R235-D260 HydrophobicContact CB-CB 4.39Å; R235-D260 HydrophobicContact CG-CB 4.05Å
236	L	98.8	Very high	97.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.			trans	-135.5	19.4	179.5	-77.7	165.5	0	0	0	110.5	L199 L212 I217 F225 L234 N239 L241 F251 D260 L261 N264	L199-L236 HydrophobicContact CD2-CD2 4.4Å; L212-L236 HydrophobicContact CB-CD2 3.73Å; L212-L236 HydrophobicContact CD1-CD2 4.04Å; I217-L236 HydrophobicContact CD1-CD2 3.76Å; F225-L236 HydrophobicContact CE2-CD1 4.26Å; F225-L236 HydrophobicContact CZ-CD1 3.96Å; L234-L236 HydrophobicContact CD1-CD1 4.15Å; L234-L236 HydrophobicContact CD1-CG 4.13Å; L234-L236 HydrophobicContact CD2-CD1 4.01Å; L234-L236 HydrophobicContact CG-CD1 4.06Å; L234-L236 HydrophobicContact CG-CG 4.33Å; L236-N239 WeakPolarHBondContact O-CB 3.49Å; L236-N239 PolarHBondContact O-ND2 2.97Å; L236-L241 HydrophobicContact CB-CD1 4.23Å; L236-L241 HydrophobicContact CD1-CD1 4.45Å; L236-F251 HydrophobicContact CD1-CE1 3.77Å; L236-F251 HydrophobicContact CD1-CZ 4.06Å; L236-D260 CarbonylContact C-O 2.98Å; L236-D260 WeakPolarHBondContact CA-O 3.06Å; L236-D260 PolarHBondContact N-O 2.96Å; L236-L261 HydrophobicContact CB-CD2 3.79Å; L236-L261 HydrophobicContact CD1-CD2 4.06Å; L236-N264 PolarHBondContact O-ND2 3.47Å
237	S	98.9	Very high	97.5	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.049	21%	0.214	C	C	.	.			trans	-65	160.1	177.9	46.6	0	0	0	0	112.7	D213 N214 N239 D260 S262	D213-S237 CarbonylContact C-O 3.46Å; D213-S237 WeakPolarHBondContact CA-O 3.4Å; D213-S237 VanDerWaalsContact CB-O 3.31Å; D213-S237 WeakPolarHBondContact CB-O 3.42Å; D213-S237 VanDerWaalsContact CB-OG 3.31Å; D213-S237 WeakPolarHBondContact CB-OG 3.25Å; N214-S237 PolarHBondContact N-O 3Å; S237-N239 VanDerWaalsContact C-N 3.31Å; S237-N239 PolarHBondContact O-N 2.82Å; S237-N239 PolarHBondContact O-ND2 3.19Å; S237-N239 VanDerWaalsContact O-ND2 3.11Å; S237-D260 WeakPolarHBondContact CB-OD1 3.18Å; S237-D260 VanDerWaalsContact CB-OD2 3.23Å; S237-D260 WeakPolarHBondContact CB-OD2 3.49Å; S237-D260 PolarHBondContact N-O 3.07Å; S237-D260 PolarHBondContact OG-OD2 3.02Å; S237-S262 CarbonylContact C-O 3.15Å; S237-S262 WeakPolarHBondContact CA-O 3.13Å; S237-S262 VanDerWaalsContact CB-O 3.26Å; S237-S262 WeakPolarHBondContact CB-O 3.35Å; S237-S262 WeakPolarHBondContact CB-OG 3.3Å
238	H	98.8	Very high	97	Very high	77 Å²	77	38 Å²	38	36%	0.356	23%	0.226	S	C	.	.	S	Bend	trans	51.5	50	-178.4	-64.9	-87.5	0	0	0	112.7	N214 N215 S262 Y263	N214-H238 WeakPolarHBondContact CA-O 3.29Å; N214-H238 HydrophobicContact CB-CB 4.42Å; N214-H238 PolarHBondContact N-O 3.05Å; N214-H238 WeakPolarHBondContact OD1-CB 3.41Å; N215-H238 PolarHBondContact N-O 2.77Å; H238-S262 PolarHBondContact N-O 3.22Å; H238-Y263 WeakPolarHBondContact CA-O 3.16Å; H238-Y263 AromaticContact CE1-CD1 3.38Å; H238-Y263 WeakPolarHBondContact CE1-CD1 3.46Å; H238-Y263 AromaticContact CE1-CD2 3.58Å; H238-Y263 AromaticContact CE1-CE1 3.85Å; H238-Y263 AromaticContact CE1-CG 3.22Å; H238-Y263 PolarHBondContact N-O 3.38Å; H238-Y263 WeakPolarHBondContact ND1-CB 3.46Å; H238-Y263 AromaticContact ND1-CD1 3.93Å; H238-Y263 AromaticContact ND1-CG 3.67Å; H238-Y263 AromaticContact NE2-CD2 3.34Å; H238-Y263 VanDerWaalsContact NE2-CD2 3.34Å; H238-Y263 WeakPolarHBondContact NE2-CD2 3.3Å; H238-Y263 AromaticContact NE2-CE2 3.81Å; H238-Y263 AromaticContact NE2-CG 3.48Å
239	N	98.9	Very high	96.7	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.053	25%	0.246	C	C	.	.	S	Bend	trans	-120.6	-166.2	173.5	-87	-78.5	0	0	0	109.7	L212 N215 K216 I217 L236 S237 L241 N264	L212-N239 PolarHBondContact O-ND2 2.86Å; N215-N239 WeakPolarHBondContact CA-OD1 3.46Å; N215-N239 VanDerWaalsContact CB-OD1 3.22Å; N215-N239 WeakPolarHBondContact CB-OD1 3.22Å; N215-N239 PolarHBondContact O-OD1 3.2Å; K216-N239 PolarHBondContact N-OD1 3.29Å; I217-N239 HydrophobicContact CB-CB 4.34Å; I217-N239 VanDerWaalsContact CB-OD1 3.29Å; I217-N239 WeakPolarHBondContact CB-OD1 3.4Å; I217-N239 WeakPolarHBondContact CG1-OD1 3.42Å; I217-N239 PolarHBondContact N-OD1 2.72Å; L236-N239 WeakPolarHBondContact O-CB 3.49Å; L236-N239 PolarHBondContact O-ND2 2.97Å; S237-N239 VanDerWaalsContact C-N 3.31Å; S237-N239 PolarHBondContact O-N 2.82Å; S237-N239 PolarHBondContact O-ND2 3.19Å; S237-N239 VanDerWaalsContact O-ND2 3.11Å; N239-L241 HydrophobicContact CB-CG 4.46Å; N239-N264 WeakPolarHBondContact CA-OD1 3.45Å; N239-N264 VanDerWaalsContact CB-OD1 3.26Å; N239-N264 WeakPolarHBondContact CB-OD1 3.43Å; N239-N264 PolarHBondContact O-OD1 2.75Å
240	E	98.6	Very high	96.8	Very high	82 Å²	82	35.3 Å²	35.3	38%	0.383	21%	0.211	S	C	.	.			trans	-113.9	25.1	-177.6	-59.2	-165.1	-145.2	0	0	112.4	I217 A242 N264 K265	I217-E240 CarbonylContact O-C 3.1Å; I217-E240 VanDerWaalsContact O-C 3.31Å; I217-E240 WeakPolarHBondContact O-CA 3.28Å; I217-E240 PolarHBondContact O-N 3.27Å; E240-A242 PolarHBondContact O-N 3.1Å; E240-N264 PolarHBondContact N-OD1 3.28Å; E240-K265 IonicContact OE2-NZ 3.18Å; E240-K265 PolarHBondContact OE2-NZ 3.02Å; E240-K265 VanDerWaalsContact OE2-NZ 3.16Å
241	L	98.6	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.198	C	C	.	.			trans	-67.2	132.1	-177.2	-64.8	170.5	0	0	0	110.9	I217 I220 L236 N239 I246 L261 N264 K265 L266	I217-L241 HydrophobicContact CG2-CD2 4.05Å; I217-L241 PolarHBondContact O-N 3.15Å; I220-L241 HydrophobicContact CD1-CD1 4.37Å; I220-L241 HydrophobicContact CD1-CD2 4.04Å; I220-L241 HydrophobicContact CG1-CD2 3.84Å; L236-L241 HydrophobicContact CB-CD1 4.23Å; L236-L241 HydrophobicContact CD1-CD1 4.45Å; N239-L241 HydrophobicContact CB-CG 4.46Å; L241-I246 HydrophobicContact CB-CD1 4.24Å; L241-I246 HydrophobicContact CD2-CG1 4.43Å; L241-L261 HydrophobicContact CD1-CD2 4.03Å; L241-N264 HydrophobicContact CB-CB 4.21Å; L241-N264 VanDerWaalsContact CB-OD1 3.28Å; L241-N264 WeakPolarHBondContact CB-OD1 3.27Å; L241-N264 PolarHBondContact N-OD1 3.48Å; L241-K265 CarbonylContact O-C 3.59Å; L241-K265 VanDerWaalsContact O-CA 3.3Å; L241-K265 WeakPolarHBondContact O-CA 3.02Å; L241-K265 WeakPolarHBondContact O-CB 3.47Å; L241-K265 PolarHBondContact O-N 3.46Å; L241-L266 HydrophobicContact CB-CD2 4.23Å
242	A	98	Very high	96.7	Very high	28 Å²	28	35 Å²	35	23%	0.231	20%	0.204	C	C	.	.			trans	-131.6	162.2	170.3	0	0	0	0	0	108.8	E240 S244 G245 K265	E240-A242 PolarHBondContact O-N 3.1Å; A242-S244 PolarHBondContact O-N 3.37Å; A242-S244 VanDerWaalsContact O-N 3.07Å; A242-G245 WeakPolarHBondContact O-CA 3.11Å; A242-G245 PolarHBondContact O-N 3.08Å; A242-K265 HydrophobicContact CB-CB 4.26Å
243	D	97.2	Very high	96.5	Very high	48 Å²	48	32.5 Å²	32.5	26%	0.257	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-51.1	-38.8	-175.7	-58.1	1.8	0	0	0	113.4	G245 I246 L266 K267 N268	D243-G245 PolarHBondContact O-N 3.07Å; D243-I246 PolarHBondContact O-N 3.05Å; D243-I246 VanDerWaalsContact O-N 3.14Å; D243-L266 WeakPolarHBondContact OD1-CA 3.39Å; D243-K267 PolarHBondContact OD1-N 3.31Å; D243-K267 WeakPolarHBondContact OD2-CB 3.37Å; D243-N268 PolarHBondContact OD1-N 3.48Å; D243-N268 PolarHBondContact OD2-N 3.4Å; D243-N268 PolarHBondContact OD2-ND2 3.23Å
244	S	96.9	Very high	96.4	Very high	121 Å²	121	34.6 Å²	34.6	85%	0.846	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-65.1	-22.2	178.9	58.5	0	0	0	0	114.1	A242	A242-S244 PolarHBondContact O-N 3.37Å; A242-S244 VanDerWaalsContact O-N 3.07Å
245	G	96.2	Very high	96.4	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.031	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-94.2	1.7	178.1	0	0	0	0	0	113.5	N219 I220 A242 D243	N219-G245 CarbonylContact C-O 3.37Å; N219-G245 WeakPolarHBondContact CA-O 3.13Å; N219-G245 VanDerWaalsContact OD1-CA 3.28Å; N219-G245 WeakPolarHBondContact OD1-CA 3.13Å; I220-G245 PolarHBondContact N-O 3.29Å; A242-G245 WeakPolarHBondContact O-CA 3.11Å; A242-G245 PolarHBondContact O-N 3.08Å; D243-G245 PolarHBondContact O-N 3.07Å
246	I	97.1	Very high	96.3	Very high	22 Å²	22	34.1 Å²	34.1	11%	0.113	22%	0.216	C	C	.	.	S	Bend	trans	-119.8	106.4	-178.4	-59.1	172.8	0	0	0	109.3	I220 L241 D243 G248 F251 L266 P270	I220-I246 HydrophobicContact CD1-CG1 3.98Å; I220-I246 HydrophobicContact CD1-CG2 4.49Å; L241-I246 HydrophobicContact CB-CD1 4.24Å; L241-I246 HydrophobicContact CD2-CG1 4.43Å; D243-I246 PolarHBondContact O-N 3.05Å; D243-I246 VanDerWaalsContact O-N 3.14Å; I246-G248 PolarHBondContact O-N 2.95Å; I246-F251 HydrophobicContact CD1-CE2 4.15Å; I246-F251 HydrophobicContact CG2-CD2 4.23Å; I246-F251 HydrophobicContact CG2-CE2 3.82Å; I246-L266 HydrophobicContact CD1-CD2 3.34Å; I246-P270 HydrophobicContact CD1-CG 4.32Å
247	P	94.9	Very high	96.3	Very high	31 Å²	31	35.7 Å²	35.7	20%	0.201	23%	0.225	C	C	.	.			trans	-55.8	138.8	167.4	-25.2	32.3	0	0	0	111.5	I220 D222 N249 S250	I220-P247 WeakPolarHBondContact O-CD 3.32Å; I220-P247 VanDerWaalsContact O-CG 3.31Å; I220-P247 WeakPolarHBondContact O-CG 3.24Å; D222-P247 WeakPolarHBondContact OD1-CB 3.46Å; D222-P247 WeakPolarHBondContact OD1-CG 3.48Å; P247-N249 PolarHBondContact O-N 3.27Å; P247-S250 WeakPolarHBondContact CB-OG 3.48Å; P247-S250 WeakPolarHBondContact CD-OG 3.48Å; P247-S250 WeakPolarHBondContact O-CB 3.22Å; P247-S250 PolarHBondContact O-N 3.46Å; P247-S250 PolarHBondContact O-OG 2.81Å
248	G	84.3	Confident	96.3	Very high	59 Å²	59	36.2 Å²	36.2	61%	0.608	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.8	-164.2	0	0	0	0	0	116.9	I246	I246-G248 PolarHBondContact O-N 2.95Å
249	N	89.1	Confident	96.3	Very high	79 Å²	79	32.6 Å²	32.6	42%	0.422	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	19.5	178.6	-73.4	-60	0	0	0	113.7	P247 F251 N252	P247-N249 PolarHBondContact O-N 3.27Å; N249-F251 VanDerWaalsContact C-N 3.26Å; N249-F251 PolarHBondContact O-N 2.68Å; N249-N252 PolarHBondContact O-N 3.09Å
250	S	95.9	Very high	96.3	Very high	2 Å²	2	33 Å²	33	1%	0.014	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-37.4	-174	-65	0	0	0	0	113.7	P247	P247-S250 WeakPolarHBondContact CB-OG 3.48Å; P247-S250 WeakPolarHBondContact CD-OG 3.48Å; P247-S250 WeakPolarHBondContact O-CB 3.22Å; P247-S250 PolarHBondContact O-N 3.46Å; P247-S250 PolarHBondContact O-OG 2.81Å
251	F	96.8	Very high	96.3	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.013	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-106.1	6.9	-175	-58.2	-68.4	0	0	0	114	I220 F225 L234 L236 I246 N249 V253 L259 L261 P270 V272	I220-F251 HydrophobicContact CD1-CE1 3.92Å; I220-F251 HydrophobicContact CD1-CE2 3.79Å; I220-F251 HydrophobicContact CD1-CZ 3.2Å; F225-F251 HydrophobicContact CD2-CD1 4.15Å; F225-F251 HydrophobicContact CD2-CE1 4.06Å; F225-F251 HydrophobicContact CE2-CD1 4.32Å; F225-F251 AromaticContact CE2-CE1 3.76Å; F225-F251 HydrophobicContact CE2-CE1 3.76Å; L234-F251 HydrophobicContact CD2-CD1 4.21Å; L234-F251 HydrophobicContact CD2-CE1 4.08Å; L236-F251 HydrophobicContact CD1-CE1 3.77Å; L236-F251 HydrophobicContact CD1-CZ 4.06Å; I246-F251 HydrophobicContact CD1-CE2 4.15Å; I246-F251 HydrophobicContact CG2-CD2 4.23Å; I246-F251 HydrophobicContact CG2-CE2 3.82Å; N249-F251 VanDerWaalsContact C-N 3.26Å; N249-F251 PolarHBondContact O-N 2.68Å; F251-V253 PolarHBondContact O-N 2.83Å; F251-L259 HydrophobicContact CB-CD2 3.86Å; F251-L259 HydrophobicContact CD1-CD1 4.03Å; F251-L259 HydrophobicContact CD1-CD2 3.91Å; F251-L259 HydrophobicContact CD2-CD2 4.48Å; F251-L259 HydrophobicContact CE1-CD1 4.11Å; F251-L259 HydrophobicContact CG-CD2 3.85Å; F251-L261 HydrophobicContact CD2-CD1 4.16Å; F251-L261 HydrophobicContact CE1-CD2 4.18Å; F251-L261 HydrophobicContact CE2-CD1 3.73Å; F251-L261 HydrophobicContact CE2-CD2 4.25Å; F251-L261 HydrophobicContact CZ-CD1 3.98Å; F251-L261 HydrophobicContact CZ-CD2 3.67Å; F251-L261 HydrophobicContact CZ-CG 4.45Å; F251-P270 HydrophobicContact CD2-CB 3.8Å; F251-P270 HydrophobicContact CE2-CB 4.21Å; F251-V272 HydrophobicContact CB-CG1 4.15Å
252	N	95.6	Very high	96.4	Very high	26 Å²	26	29.3 Å²	29.3	14%	0.139	20%	0.196	C	C	.	.			trans	-78	73.1	172.2	176.3	22.4	0	0	0	109.7	N249 N273 K296	N249-N252 PolarHBondContact O-N 3.09Å; N252-N273 PolarHBondContact OD1-ND2 3.28Å; N252-K296 PolarHBondContact ND2-NZ 3.45Å
253	V	96.3	Very high	96.4	Very high	9 Å²	9	33 Å²	33	6%	0.055	20%	0.204	C	C	.	.			trans	-116.6	119.1	-178.2	179.6	0	0	0	0	108.4	F225 F251 S255 L256 N273	F225-V253 HydrophobicContact CB-CG2 3.74Å; F251-V253 PolarHBondContact O-N 2.83Å; V253-S255 VanDerWaalsContact C-N 3.27Å; V253-S255 WeakPolarHBondContact CG1-OG 3.19Å; V253-S255 PolarHBondContact O-N 3.16Å; V253-L256 HydrophobicContact CB-CD1 3.84Å; V253-L256 HydrophobicContact CB-CG 3.92Å; V253-L256 HydrophobicContact CG1-CD1 4.43Å; V253-L256 HydrophobicContact CG1-CG 4.02Å; V253-L256 HydrophobicContact CG2-CD1 4.29Å; V253-L256 PolarHBondContact O-N 3.49Å; V253-N273 WeakPolarHBondContact O-CB 3.41Å
254	S	96.1	Very high	96.5	Very high	80 Å²	80	31.2 Å²	31.2	56%	0.559	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.7	-170.4	56.4	0	0	0	0	115.1	N275	S254-N275 PolarHBondContact O-ND2 3.08Å
255	S	97.9	Very high	96.5	Very high	26 Å²	26	29.8 Å²	29.8	18%	0.182	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.7	179	58.5	0	0	0	0	113.5	N229 L231 V253 V257	N229-S255 WeakPolarHBondContact O-CB 3.49Å; L231-S255 PolarHBondContact N-OG 2.95Å; L231-S255 CarbonylContact O-C 3.53Å; L231-S255 VanDerWaalsContact O-CB 3.27Å; L231-S255 WeakPolarHBondContact O-CB 3.46Å; L231-S255 VanDerWaalsContact O-O 3.14Å; L231-S255 PolarHBondContact O-OG 2.78Å; V253-S255 VanDerWaalsContact C-N 3.27Å; V253-S255 WeakPolarHBondContact CG1-OG 3.19Å; V253-S255 PolarHBondContact O-N 3.16Å; S255-V257 PolarHBondContact O-N 3.28Å
256	L	98.3	Very high	96.6	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	17%	0.172	C	C	.	.			trans	-67.3	134.2	-177.4	-79.3	177.8	0	0	0	111	L231 L234 V253 L276	L231-L256 HydrophobicContact CD2-CD2 4.11Å; L231-L256 HydrophobicContact CG-CD2 3.97Å; L231-L256 PolarHBondContact O-N 3.3Å; L234-L256 HydrophobicContact CB-CD2 3.9Å; V253-L256 HydrophobicContact CB-CD1 3.84Å; V253-L256 HydrophobicContact CB-CG 3.92Å; V253-L256 HydrophobicContact CG1-CD1 4.43Å; V253-L256 HydrophobicContact CG1-CG 4.02Å; V253-L256 HydrophobicContact CG2-CD1 4.29Å; V253-L256 PolarHBondContact O-N 3.49Å; L256-L276 HydrophobicContact CB-CD1 3.92Å
257	V	98.6	Very high	96.6	Very high	33 Å²	33	33.2 Å²	33.2	20%	0.2	19%	0.187	C	C	.	.	S	Bend	trans	-109.2	-41.6	174.9	178.3	0	0	0	0	109.5	Q232 Y233 S255 L276 E277 N278	Q232-V257 HydrophobicContact CB-CG2 4.21Å; Q232-V257 HydrophobicContact CG-CG2 4.27Å; Q232-V257 PolarHBondContact O-N 2.83Å; Y233-V257 HydrophobicContact CE1-CG1 4.49Å; S255-V257 PolarHBondContact O-N 3.28Å; V257-L276 WeakPolarHBondContact O-CD1 3.41Å; V257-E277 HydrophobicContact CG1-CB 4.13Å; V257-E277 HydrophobicContact CG1-CG 4.18Å; V257-E277 PolarHBondContact O-N 3.03Å; V257-N278 PolarHBondContact O-N 3.09Å
258	E	98.9	Very high	96.7	Very high	19 Å²	19	36.2 Å²	36.2	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.1	179.9	179.4	168	119.8	0	0	111.3	Q232 Y233 L234 R235 N278 Y280	Q232-E258 PolarHBondContact O-N 3.34Å; Y233-E258 HydrophobicContact CD1-CB 3.63Å; Y233-E258 HydrophobicContact CD1-CG 4.48Å; Y233-E258 HydrophobicContact CE1-CB 4.22Å; L234-E258 PolarHBondContact N-O 2.86Å; L234-E258 VanDerWaalsContact N-O 3.07Å; R235-E258 IonicContact CZ-OE1 3.16Å; R235-E258 IonicContact NE-OE1 2.78Å; R235-E258 PolarHBondContact NE-OE1 3.28Å; R235-E258 IonicContact NH2-OE1 3.49Å; R235-E258 PolarHBondContact NH2-OE1 3.49Å; R235-E258 VanDerWaalsContact NH2-OE1 3.14Å; E258-N278 WeakPolarHBondContact CA-O 3.32Å; E258-N278 HydrophobicContact CB-CB 4.27Å; E258-N278 HydrophobicContact CG-CB 4.15Å; E258-Y280 HydrophobicContact CG-CD2 4.38Å; E258-Y280 HydrophobicContact CG-CE2 3.87Å
259	L	98.9	Very high	97.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.8	172.3	177	58.9	0	0	0	109.8	L234 F251 L261 V272 L276 N278 Y279 Y280	L234-L259 HydrophobicContact CB-CD1 4.15Å; L234-L259 HydrophobicContact CD2-CD1 3.9Å; L234-L259 HydrophobicContact CG-CD1 3.98Å; L234-L259 WeakPolarHBondContact O-CA 3.5Å; F251-L259 HydrophobicContact CB-CD2 3.86Å; F251-L259 HydrophobicContact CD1-CD1 4.03Å; F251-L259 HydrophobicContact CD1-CD2 3.91Å; F251-L259 HydrophobicContact CD2-CD2 4.48Å; F251-L259 HydrophobicContact CE1-CD1 4.11Å; F251-L259 HydrophobicContact CG-CD2 3.85Å; L259-L261 HydrophobicContact CD1-CD2 4.1Å; L259-L261 HydrophobicContact CD1-CG 4Å; L259-L261 HydrophobicContact CD2-CD1 4.02Å; L259-L261 HydrophobicContact CD2-CG 4.29Å; L259-L261 HydrophobicContact CG-CD1 4.27Å; L259-L261 HydrophobicContact CG-CG 3.97Å; L259-V272 HydrophobicContact CD2-CG1 3.89Å; L259-L276 HydrophobicContact CB-CD1 3.98Å; L259-L276 HydrophobicContact CB-CD2 4.13Å; L259-N278 PolarHBondContact N-O 2.82Å; L259-Y279 HydrophobicContact CB-CD2 4.2Å; L259-Y279 HydrophobicContact CB-CE2 4.43Å; L259-Y279 HydrophobicContact CD2-CD2 4.23Å; L259-Y279 HydrophobicContact CD2-CE2 3.66Å; L259-Y279 HydrophobicContact CG-CD2 4.18Å; L259-Y279 HydrophobicContact CG-CE2 3.94Å; L259-Y279 WeakPolarHBondContact O-CA 3.43Å; L259-Y280 PolarHBondContact O-N 3.26Å
260	D	98.9	Very high	97.7	Very high	19 Å²	19	30.8 Å²	30.8	10%	0.102	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.3	173.2	-178	10.2	0	0	0	111.2	L234 R235 L236 S237 S262 Y280	L234-D260 PolarHBondContact O-N 2.89Å; R235-D260 HydrophobicContact CB-CB 4.39Å; R235-D260 HydrophobicContact CG-CB 4.05Å; L236-D260 CarbonylContact C-O 2.98Å; L236-D260 WeakPolarHBondContact CA-O 3.06Å; L236-D260 PolarHBondContact N-O 2.96Å; S237-D260 WeakPolarHBondContact CB-OD1 3.18Å; S237-D260 VanDerWaalsContact CB-OD2 3.23Å; S237-D260 WeakPolarHBondContact CB-OD2 3.49Å; S237-D260 PolarHBondContact N-O 3.07Å; S237-D260 PolarHBondContact OG-OD2 3.02Å; D260-S262 WeakPolarHBondContact OD1-CB 3.47Å; D260-S262 PolarHBondContact OD1-N 2.95Å; D260-S262 PolarHBondContact OD1-OG 3.31Å; D260-Y280 HydrophobicContact CB-CD2 4.06Å; D260-Y280 WeakPolarHBondContact OD1-CB 3.48Å
261	L	98.8	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.			trans	-120.7	16.5	175.6	-64.2	-179.7	0	0	0	111.7	L236 L241 F251 L259 N264 L266 P270 Y279 Y280 L281 N284	L236-L261 HydrophobicContact CB-CD2 3.79Å; L236-L261 HydrophobicContact CD1-CD2 4.06Å; L241-L261 HydrophobicContact CD1-CD2 4.03Å; F251-L261 HydrophobicContact CD2-CD1 4.16Å; F251-L261 HydrophobicContact CE1-CD2 4.18Å; F251-L261 HydrophobicContact CE2-CD1 3.73Å; F251-L261 HydrophobicContact CE2-CD2 4.25Å; F251-L261 HydrophobicContact CZ-CD1 3.98Å; F251-L261 HydrophobicContact CZ-CD2 3.67Å; F251-L261 HydrophobicContact CZ-CG 4.45Å; L259-L261 HydrophobicContact CD1-CD2 4.1Å; L259-L261 HydrophobicContact CD1-CG 4Å; L259-L261 HydrophobicContact CD2-CD1 4.02Å; L259-L261 HydrophobicContact CD2-CG 4.29Å; L259-L261 HydrophobicContact CG-CD1 4.27Å; L259-L261 HydrophobicContact CG-CG 3.97Å; L261-N264 PolarHBondContact O-ND2 3.31Å; L261-L266 HydrophobicContact CB-CD1 4.08Å; L261-L266 HydrophobicContact CD1-CD1 4.2Å; L261-P270 HydrophobicContact CD1-CB 4.45Å; L261-P270 HydrophobicContact CD1-CG 3.91Å; L261-Y279 HydrophobicContact CD1-CE2 4.01Å; L261-Y279 HydrophobicContact CG-CE2 4.43Å; L261-Y280 CarbonylContact C-O 3.54Å; L261-Y280 PolarHBondContact N-O 3.23Å; L261-L281 HydrophobicContact CB-CD2 3.82Å; L261-L281 HydrophobicContact CD1-CD2 4.23Å; L261-N284 PolarHBondContact O-ND2 3.16Å
262	S	98.9	Very high	97.7	Very high	5 Å²	5	32.5 Å²	32.5	4%	0.035	17%	0.17	C	C	.	.			trans	-59.2	156.9	178.8	62.5	0	0	0	0	112.5	S237 H238 D260 N264 Y280 E282	S237-S262 CarbonylContact C-O 3.15Å; S237-S262 WeakPolarHBondContact CA-O 3.13Å; S237-S262 VanDerWaalsContact CB-O 3.26Å; S237-S262 WeakPolarHBondContact CB-O 3.35Å; S237-S262 WeakPolarHBondContact CB-OG 3.3Å; H238-S262 PolarHBondContact N-O 3.22Å; D260-S262 WeakPolarHBondContact OD1-CB 3.47Å; D260-S262 PolarHBondContact OD1-N 2.95Å; D260-S262 PolarHBondContact OD1-OG 3.31Å; S262-N264 PolarHBondContact O-N 3.08Å; S262-N264 PolarHBondContact O-ND2 3.02Å; S262-N264 VanDerWaalsContact O-ND2 3.15Å; S262-Y280 PolarHBondContact N-O 3.15Å; S262-E282 CarbonylContact C-O 3.05Å; S262-E282 VanDerWaalsContact CA-O 3.25Å; S262-E282 WeakPolarHBondContact CA-O 3.45Å; S262-E282 VanDerWaalsContact CB-CD 3.4Å; S262-E282 WeakPolarHBondContact CB-O 3.36Å; S262-E282 WeakPolarHBondContact CB-OE2 3.2Å
263	Y	98.8	Very high	97.8	Very high	104 Å²	104	32.6 Å²	32.6	41%	0.408	17%	0.17	S	C	.	.	S	Bend	trans	54.1	47.5	177.7	-63.7	-94.5	0	0	0	113.7	H238 E282 V283	H238-Y263 WeakPolarHBondContact CA-O 3.16Å; H238-Y263 AromaticContact CE1-CD1 3.38Å; H238-Y263 WeakPolarHBondContact CE1-CD1 3.46Å; H238-Y263 AromaticContact CE1-CD2 3.58Å; H238-Y263 AromaticContact CE1-CE1 3.85Å; H238-Y263 AromaticContact CE1-CG 3.22Å; H238-Y263 PolarHBondContact N-O 3.38Å; H238-Y263 WeakPolarHBondContact ND1-CB 3.46Å; H238-Y263 AromaticContact ND1-CD1 3.93Å; H238-Y263 AromaticContact ND1-CG 3.67Å; H238-Y263 AromaticContact NE2-CD2 3.34Å; H238-Y263 VanDerWaalsContact NE2-CD2 3.34Å; H238-Y263 WeakPolarHBondContact NE2-CD2 3.3Å; H238-Y263 AromaticContact NE2-CE2 3.81Å; H238-Y263 AromaticContact NE2-CG 3.48Å; Y263-E282 HydrophobicContact CE2-CG 4.24Å; Y263-E282 PolarHBondContact N-O 2.77Å; Y263-V283 VanDerWaalsContact CA-O 3.3Å; Y263-V283 WeakPolarHBondContact CA-O 3.36Å; Y263-V283 HydrophobicContact CD1-CB 3.75Å; Y263-V283 HydrophobicContact CD1-CG1 3.62Å; Y263-V283 HydrophobicContact CD1-CG2 4.25Å; Y263-V283 HydrophobicContact CD2-CB 4.29Å; Y263-V283 HydrophobicContact CE1-CB 3.75Å; Y263-V283 HydrophobicContact CE1-CG1 3.64Å; Y263-V283 HydrophobicContact CE1-CG2 3.73Å; Y263-V283 HydrophobicContact CE2-CB 4.26Å; Y263-V283 HydrophobicContact CE2-CG2 4Å; Y263-V283 HydrophobicContact CG-CB 4.04Å; Y263-V283 HydrophobicContact CG-CG1 4.35Å; Y263-V283 PolarHBondContact N-O 2.9Å
264	N	98.8	Very high	97.8	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.064	18%	0.178	C	C	.	.	S	Bend	trans	-117.8	-161.6	171.6	-83.5	-79.6	0	0	0	110.1	L236 N239 E240 L241 L261 S262 L266 N284	L236-N264 PolarHBondContact O-ND2 3.47Å; N239-N264 WeakPolarHBondContact CA-OD1 3.45Å; N239-N264 VanDerWaalsContact CB-OD1 3.26Å; N239-N264 WeakPolarHBondContact CB-OD1 3.43Å; N239-N264 PolarHBondContact O-OD1 2.75Å; E240-N264 PolarHBondContact N-OD1 3.28Å; L241-N264 HydrophobicContact CB-CB 4.21Å; L241-N264 VanDerWaalsContact CB-OD1 3.28Å; L241-N264 WeakPolarHBondContact CB-OD1 3.27Å; L241-N264 PolarHBondContact N-OD1 3.48Å; L261-N264 PolarHBondContact O-ND2 3.31Å; S262-N264 PolarHBondContact O-N 3.08Å; S262-N264 PolarHBondContact O-ND2 3.02Å; S262-N264 VanDerWaalsContact O-ND2 3.15Å; N264-L266 HydrophobicContact CB-CG 4.14Å; N264-N284 VanDerWaalsContact CA-OD1 3.27Å; N264-N284 WeakPolarHBondContact CA-OD1 3.5Å; N264-N284 WeakPolarHBondContact CB-OD1 3.48Å; N264-N284 PolarHBondContact N-OD1 3.27Å; N264-N284 PolarHBondContact O-OD1 3.49Å
265	K	98.3	Very high	97.8	Very high	90 Å²	90	33.5 Å²	33.5	39%	0.391	17%	0.167	S	C	.	.			trans	-119.3	32.4	-177.3	-55.5	170.5	-172.5	165.2	0	111.1	E240 L241 A242 N284	E240-K265 IonicContact OE2-NZ 3.18Å; E240-K265 PolarHBondContact OE2-NZ 3.02Å; E240-K265 VanDerWaalsContact OE2-NZ 3.16Å; L241-K265 CarbonylContact O-C 3.59Å; L241-K265 VanDerWaalsContact O-CA 3.3Å; L241-K265 WeakPolarHBondContact O-CA 3.02Å; L241-K265 WeakPolarHBondContact O-CB 3.47Å; L241-K265 PolarHBondContact O-N 3.46Å; A242-K265 HydrophobicContact CB-CB 4.26Å; K265-N284 PolarHBondContact N-OD1 3.42Å
266	L	98.3	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.			trans	-75.4	137	-175.4	-55.4	178.5	0	0	0	111.7	L241 D243 I246 L261 N264 P270 L281 N284 Q285 L286	L241-L266 HydrophobicContact CB-CD2 4.23Å; D243-L266 WeakPolarHBondContact OD1-CA 3.39Å; I246-L266 HydrophobicContact CD1-CD2 3.34Å; L261-L266 HydrophobicContact CB-CD1 4.08Å; L261-L266 HydrophobicContact CD1-CD1 4.2Å; N264-L266 HydrophobicContact CB-CG 4.14Å; L266-P270 HydrophobicContact CD1-CG 3.99Å; L266-L281 HydrophobicContact CD1-CD2 3.78Å; L266-N284 HydrophobicContact CB-CB 4.25Å; L266-N284 WeakPolarHBondContact CB-OD1 3.06Å; L266-N284 VanDerWaalsContact CG-OD1 3.3Å; L266-N284 WeakPolarHBondContact CG-OD1 3.02Å; L266-N284 PolarHBondContact N-OD1 3.4Å; L266-Q285 CarbonylContact O-C 3.52Å; L266-Q285 WeakPolarHBondContact O-CA 3.37Å; L266-Q285 WeakPolarHBondContact O-CB 3.48Å; L266-Q285 PolarHBondContact O-N 3.38Å; L266-L286 HydrophobicContact CB-CD2 3.92Å; L266-L286 PolarHBondContact O-N 3.4Å
267	K	97.3	Very high	97.9	Very high	97 Å²	97	34.9 Å²	34.9	42%	0.422	17%	0.171	S	C	.	.	S	Bend	trans	-108.4	-23	173.5	-58.1	-176.7	178.1	-172.1	0	113.1	D243 Q285 L286 E287	D243-K267 PolarHBondContact OD1-N 3.31Å; D243-K267 WeakPolarHBondContact OD2-CB 3.37Å; K267-Q285 WeakPolarHBondContact CA-O 3.3Å; K267-Q285 HydrophobicContact CG-CB 4.2Å; K267-L286 WeakPolarHBondContact O-CA 3.16Å; K267-E287 PolarHBondContact O-N 3Å; K267-E287 VanDerWaalsContact O-N 3.12Å
268	N	96.4	Very high	97.9	Very high	95 Å²	95	34.4 Å²	34.4	51%	0.508	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-119.6	147.1	174.6	-67.1	-76.3	0	0	0	110.4	D243 P270 L286	D243-N268 PolarHBondContact OD1-N 3.48Å; D243-N268 PolarHBondContact OD2-N 3.4Å; D243-N268 PolarHBondContact OD2-ND2 3.23Å; N268-P270 WeakPolarHBondContact O-CD 3.35Å; N268-L286 WeakPolarHBondContact O-CD2 3.2Å
269	I	96.9	Very high	97.9	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.036	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-70.7	116	176.1	-61.7	173.6	0	0	0	108.4	Y279 L281 L286 F289 S293 F294 L311 I316	I269-Y279 HydrophobicContact CG2-CE1 4.16Å; I269-L281 HydrophobicContact CG1-CD1 4.44Å; I269-L281 HydrophobicContact CG2-CD1 3.89Å; I269-L286 HydrophobicContact CG1-CD1 3.91Å; I269-L286 HydrophobicContact CG1-CD2 4.18Å; I269-F289 HydrophobicContact CD1-CD2 4.04Å; I269-F289 HydrophobicContact CD1-CE2 4.42Å; I269-F289 HydrophobicContact CD1-CG 4.4Å; I269-S293 WeakPolarHBondContact O-CB 3.36Å; I269-S293 PolarHBondContact O-OG 3.01Å; I269-F294 HydrophobicContact CD1-CE2 4.08Å; I269-F294 HydrophobicContact CD1-CZ 4.01Å; I269-F294 HydrophobicContact CG2-CE1 4.22Å; I269-F294 HydrophobicContact CG2-CE2 4.21Å; I269-F294 HydrophobicContact CG2-CZ 3.76Å; I269-L311 HydrophobicContact CD1-CD2 4.36Å; I269-I316 HydrophobicContact CD1-CD1 4.23Å
270	P	96.9	Very high	97.9	Very high	16 Å²	16	36.2 Å²	36.2	10%	0.104	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-62.5	138.9	177.6	-23	34.4	0	0	0	111.9	I246 F251 L261 L266 N268 V272 Y279	I246-P270 HydrophobicContact CD1-CG 4.32Å; F251-P270 HydrophobicContact CD2-CB 3.8Å; F251-P270 HydrophobicContact CE2-CB 4.21Å; L261-P270 HydrophobicContact CD1-CB 4.45Å; L261-P270 HydrophobicContact CD1-CG 3.91Å; L266-P270 HydrophobicContact CD1-CG 3.99Å; N268-P270 WeakPolarHBondContact O-CD 3.35Å; P270-V272 PolarHBondContact O-N 2.97Å; P270-Y279 WeakPolarHBondContact CD-OH 3.38Å; P270-Y279 PolarHBondContact O-OH 3.26Å
271	T	96.3	Very high	97.8	Very high	38 Å²	38	35.3 Å²	35.3	23%	0.233	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-68.5	129.7	178.7	-53.9	0	0	0	0	111.2	S293	T271-S293 WeakPolarHBondContact CA-O 3.42Å
272	V	97.4	Very high	97.8	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.024	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-118.8	170.3	-179.2	-65.5	0	0	0	0	111.6	F251 L259 P270 L276 Y279 S293 F294	F251-V272 HydrophobicContact CB-CG1 4.15Å; L259-V272 HydrophobicContact CD2-CG1 3.89Å; P270-V272 PolarHBondContact O-N 2.97Å; V272-L276 HydrophobicContact CB-CD2 3.93Å; V272-L276 HydrophobicContact CG1-CD2 3.9Å; V272-L276 HydrophobicContact CG2-CD2 3.94Å; V272-Y279 HydrophobicContact CB-CE1 4.46Å; V272-Y279 HydrophobicContact CG1-CD1 4.29Å; V272-Y279 HydrophobicContact CG1-CE1 3.6Å; V272-Y279 HydrophobicContact CG1-CE2 4.38Å; V272-Y279 HydrophobicContact CG2-CD1 4.25Å; V272-Y279 HydrophobicContact CG2-CE1 4.01Å; V272-S293 PolarHBondContact N-O 2.98Å; V272-F294 HydrophobicContact CG2-CD1 4.41Å
273	N	96.9	Very high	97.8	Very high	28 Å²	28	38.7 Å²	38.7	15%	0.15	19%	0.187	C	C	.	.			trans	-77.5	146.4	172	-166.5	-92.8	0	0	0	110.7	N252 V253 N275 L276	N252-N273 PolarHBondContact OD1-ND2 3.28Å; V253-N273 WeakPolarHBondContact O-CB 3.41Å; N273-N275 PolarHBondContact O-N 2.95Å; N273-N275 WeakPolarHBondContact OD1-CB 3.18Å; N273-N275 PolarHBondContact OD1-N 3.05Å; N273-N275 PolarHBondContact OD1-ND2 2.99Å; N273-L276 WeakPolarHBondContact O-CB 3.38Å; N273-L276 PolarHBondContact O-N 2.95Å; N273-L276 VanDerWaalsContact O-N 3.11Å
274	E	96.3	Very high	97.8	Very high	48 Å²	48	34.3 Å²	34.3	22%	0.224	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.7	177.7	-71.7	166.7	-173.7	0	0	113.2	F294 K296 K305	E274-F294 WeakPolarHBondContact CG-O 3.24Å; E274-K296 PolarHBondContact OE1-N 3.33Å; E274-K305 WeakPolarHBondContact O-CB 3.44Å; E274-K305 WeakPolarHBondContact O-CG 3.36Å; E274-K305 PolarHBondContact O-N 3.27Å
275	N	96.9	Very high	97.7	Very high	59 Å²	59	37 Å²	37	32%	0.316	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.8	175	-73.6	-29.2	0	0	0	115.4	S254 N273 K305	S254-N275 PolarHBondContact O-ND2 3.08Å; N273-N275 PolarHBondContact O-N 2.95Å; N273-N275 WeakPolarHBondContact OD1-CB 3.18Å; N273-N275 PolarHBondContact OD1-N 3.05Å; N273-N275 PolarHBondContact OD1-ND2 2.99Å; N275-K305 WeakPolarHBondContact OD1-CE 3.41Å; N275-K305 PolarHBondContact OD1-NZ 2.83Å
276	L	98.4	Very high	97.7	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	16%	0.164	C	C	.	.			trans	-61.3	137.8	-177.1	-170.4	71.6	0	0	0	110.5	L256 V257 L259 V272 N273 Y279 K305 I306	L256-L276 HydrophobicContact CB-CD1 3.92Å; V257-L276 WeakPolarHBondContact O-CD1 3.41Å; L259-L276 HydrophobicContact CB-CD1 3.98Å; L259-L276 HydrophobicContact CB-CD2 4.13Å; V272-L276 HydrophobicContact CB-CD2 3.93Å; V272-L276 HydrophobicContact CG1-CD2 3.9Å; V272-L276 HydrophobicContact CG2-CD2 3.94Å; N273-L276 WeakPolarHBondContact O-CB 3.38Å; N273-L276 PolarHBondContact O-N 2.95Å; N273-L276 VanDerWaalsContact O-N 3.11Å; L276-Y279 HydrophobicContact CD2-CD1 3.91Å; L276-Y279 HydrophobicContact CD2-CD2 4.2Å; L276-Y279 HydrophobicContact CD2-CG 3.72Å; L276-K305 CarbonylContact O-C 3.57Å; L276-I306 HydrophobicContact CB-CG1 4.36Å; L276-I306 VanDerWaalsContact O-CA 3.28Å; L276-I306 WeakPolarHBondContact O-CA 3.3Å; L276-I306 VanDerWaalsContact O-CG1 3.22Å; L276-I306 WeakPolarHBondContact O-CG1 3.41Å; L276-I306 PolarHBondContact O-N 3.48Å
277	E	98.5	Very high	97.5	Very high	56 Å²	56	37.9 Å²	37.9	26%	0.262	19%	0.189	S	C	.	.			trans	-108.2	-38.7	-178.2	-60.3	-162.1	172.1	0	0	112.9	V257 I306 K307 H308	V257-E277 HydrophobicContact CG1-CB 4.13Å; V257-E277 HydrophobicContact CG1-CG 4.18Å; V257-E277 PolarHBondContact O-N 3.03Å; E277-I306 CarbonylContact O-C 3.5Å; E277-I306 WeakPolarHBondContact O-CA 3.4Å; E277-K307 PolarHBondContact O-N 3.39Å; E277-K307 IonicContact OE1-NZ 3.39Å; E277-K307 PolarHBondContact OE1-NZ 3.23Å; E277-K307 WeakPolarHBondContact OE2-CE 3.26Å; E277-K307 IonicContact OE2-NZ 3.57Å; E277-K307 PolarHBondContact OE2-NZ 2.04Å; E277-H308 PolarHBondContact O-N 3.32Å
278	N	98.7	Very high	97.2	Very high	23 Å²	23	39.6 Å²	39.6	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.8	-178.4	-52.6	-55.4	0	0	0	109.9	V257 E258 L259 Y280 H308	V257-N278 PolarHBondContact O-N 3.09Å; E258-N278 WeakPolarHBondContact CA-O 3.32Å; E258-N278 HydrophobicContact CB-CB 4.27Å; E258-N278 HydrophobicContact CG-CB 4.15Å; L259-N278 PolarHBondContact N-O 2.82Å; N278-Y280 HydrophobicContact CB-CE2 3.8Å; N278-H308 PolarHBondContact OD1-ND1 2.79Å
279	Y	98.6	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	113.2	-178.2	-162.7	-175.3	0	0	0	111.6	L259 L261 I269 P270 V272 L276 L281 F294 I306 H308 L309 R310	L259-Y279 HydrophobicContact CB-CD2 4.2Å; L259-Y279 HydrophobicContact CB-CE2 4.43Å; L259-Y279 HydrophobicContact CD2-CD2 4.23Å; L259-Y279 HydrophobicContact CD2-CE2 3.66Å; L259-Y279 HydrophobicContact CG-CD2 4.18Å; L259-Y279 HydrophobicContact CG-CE2 3.94Å; L259-Y279 WeakPolarHBondContact O-CA 3.43Å; L261-Y279 HydrophobicContact CD1-CE2 4.01Å; L261-Y279 HydrophobicContact CG-CE2 4.43Å; I269-Y279 HydrophobicContact CG2-CE1 4.16Å; P270-Y279 WeakPolarHBondContact CD-OH 3.38Å; P270-Y279 PolarHBondContact O-OH 3.26Å; V272-Y279 HydrophobicContact CB-CE1 4.46Å; V272-Y279 HydrophobicContact CG1-CD1 4.29Å; V272-Y279 HydrophobicContact CG1-CE1 3.6Å; V272-Y279 HydrophobicContact CG1-CE2 4.38Å; V272-Y279 HydrophobicContact CG2-CD1 4.25Å; V272-Y279 HydrophobicContact CG2-CE1 4.01Å; L276-Y279 HydrophobicContact CD2-CD1 3.91Å; L276-Y279 HydrophobicContact CD2-CD2 4.2Å; L276-Y279 HydrophobicContact CD2-CG 3.72Å; Y279-L281 HydrophobicContact CD1-CD1 4.1Å; Y279-L281 HydrophobicContact CD2-CD1 4.18Å; Y279-L281 HydrophobicContact CD2-CG 3.98Å; Y279-L281 HydrophobicContact CE1-CD1 3.71Å; Y279-L281 HydrophobicContact CE1-CG 4.46Å; Y279-L281 HydrophobicContact CE2-CD1 3.8Å; Y279-L281 HydrophobicContact CE2-CD2 3.87Å; Y279-L281 HydrophobicContact CE2-CG 3.63Å; Y279-L281 HydrophobicContact CG-CD1 4.33Å; Y279-F294 HydrophobicContact CD1-CD1 4.46Å; Y279-F294 AromaticContact CD1-CE1 3.86Å; Y279-F294 HydrophobicContact CD1-CE1 3.86Å; Y279-F294 HydrophobicContact CE1-CE1 4.09Å; Y279-I306 HydrophobicContact CD1-CD1 4.14Å; Y279-H308 PolarHBondContact N-O 3.37Å; Y279-L309 HydrophobicContact CD1-CD1 4.21Å; Y279-L309 HydrophobicContact CG-CD1 4.33Å; Y279-L309 WeakPolarHBondContact O-CA 3.21Å; Y279-R310 PolarHBondContact O-N 3.41Å
280	Y	98.8	Very high	97	Very high	57 Å²	57	38.1 Å²	38.1	22%	0.224	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.6	-177.7	-52.4	-84.4	0	0	0	110	E258 L259 D260 L261 S262 N278 E282 R310	E258-Y280 HydrophobicContact CG-CD2 4.38Å; E258-Y280 HydrophobicContact CG-CE2 3.87Å; L259-Y280 PolarHBondContact O-N 3.26Å; D260-Y280 HydrophobicContact CB-CD2 4.06Å; D260-Y280 WeakPolarHBondContact OD1-CB 3.48Å; L261-Y280 CarbonylContact C-O 3.54Å; L261-Y280 PolarHBondContact N-O 3.23Å; S262-Y280 PolarHBondContact N-O 3.15Å; N278-Y280 HydrophobicContact CB-CE2 3.8Å; Y280-E282 WeakPolarHBondContact CB-OE2 3.49Å; Y280-R310 HydrophobicContact CD1-CB 4.13Å; Y280-R310 HydrophobicContact CD1-CG 3.78Å; Y280-R310 HydrophobicContact CE1-CG 4.14Å
281	L	98.6	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.			trans	-136.7	12	-175.9	-78.3	167.8	0	0	0	111.7	L261 L266 I269 Y279 N284 L286 R310 L311 N314	L261-L281 HydrophobicContact CB-CD2 3.82Å; L261-L281 HydrophobicContact CD1-CD2 4.23Å; L266-L281 HydrophobicContact CD1-CD2 3.78Å; I269-L281 HydrophobicContact CG1-CD1 4.44Å; I269-L281 HydrophobicContact CG2-CD1 3.89Å; Y279-L281 HydrophobicContact CD1-CD1 4.1Å; Y279-L281 HydrophobicContact CD2-CD1 4.18Å; Y279-L281 HydrophobicContact CD2-CG 3.98Å; Y279-L281 HydrophobicContact CE1-CD1 3.71Å; Y279-L281 HydrophobicContact CE1-CG 4.46Å; Y279-L281 HydrophobicContact CE2-CD1 3.8Å; Y279-L281 HydrophobicContact CE2-CD2 3.87Å; Y279-L281 HydrophobicContact CE2-CG 3.63Å; Y279-L281 HydrophobicContact CG-CD1 4.33Å; L281-N284 PolarHBondContact O-ND2 3.11Å; L281-L286 HydrophobicContact CB-CD1 4.02Å; L281-L286 HydrophobicContact CD1-CD1 4.25Å; L281-R310 CarbonylContact C-O 3.56Å; L281-R310 WeakPolarHBondContact CA-O 3.32Å; L281-R310 WeakPolarHBondContact CB-O 3.31Å; L281-R310 PolarHBondContact N-O 2.95Å; L281-L311 HydrophobicContact CB-CD2 3.88Å; L281-L311 HydrophobicContact CD1-CD2 3.87Å; L281-N314 PolarHBondContact O-ND2 3.45Å
282	E	98.2	Very high	96.8	Very high	19 Å²	19	43.1 Å²	43.1	9%	0.089	21%	0.205	C	C	.	.			trans	-60.5	154.6	-178.2	67	-94.6	-129.6	0	0	112.3	S262 Y263 Y280 N284 R310 D312	S262-E282 CarbonylContact C-O 3.05Å; S262-E282 VanDerWaalsContact CA-O 3.25Å; S262-E282 WeakPolarHBondContact CA-O 3.45Å; S262-E282 VanDerWaalsContact CB-CD 3.4Å; S262-E282 WeakPolarHBondContact CB-O 3.36Å; S262-E282 WeakPolarHBondContact CB-OE2 3.2Å; Y263-E282 HydrophobicContact CE2-CG 4.24Å; Y263-E282 PolarHBondContact N-O 2.77Å; Y280-E282 WeakPolarHBondContact CB-OE2 3.49Å; E282-N284 PolarHBondContact O-N 2.88Å; E282-N284 PolarHBondContact O-ND2 3.41Å; E282-R310 PolarHBondContact N-O 2.03Å; E282-R310 IonicContact OE1-CZ 2.89Å; E282-R310 IonicContact OE1-NE 3.06Å; E282-R310 PolarHBondContact OE1-NE 3.45Å; E282-R310 VanDerWaalsContact OE1-NE 3.16Å; E282-R310 IonicContact OE1-NH2 2.84Å; E282-R310 PolarHBondContact OE1-NH2 2.9Å; E282-R310 WeakPolarHBondContact OE2-CB 3.36Å; E282-R310 IonicContact OE2-NE 3.16Å; E282-D312 CarbonylContact C-O 3.39Å; E282-D312 WeakPolarHBondContact CA-O 3.04Å; E282-D312 WeakPolarHBondContact CB-O 3.02Å
283	V	98.2	Very high	96.7	Very high	56 Å²	56	43.3 Å²	43.3	34%	0.339	21%	0.207	S	C	.	.	S	Bend	trans	54.5	51.8	176.1	-162.8	0	0	0	0	111.6	Y263 D312	Y263-V283 VanDerWaalsContact CA-O 3.3Å; Y263-V283 WeakPolarHBondContact CA-O 3.36Å; Y263-V283 HydrophobicContact CD1-CB 3.75Å; Y263-V283 HydrophobicContact CD1-CG1 3.62Å; Y263-V283 HydrophobicContact CD1-CG2 4.25Å; Y263-V283 HydrophobicContact CD2-CB 4.29Å; Y263-V283 HydrophobicContact CE1-CB 3.75Å; Y263-V283 HydrophobicContact CE1-CG1 3.64Å; Y263-V283 HydrophobicContact CE1-CG2 3.73Å; Y263-V283 HydrophobicContact CE2-CB 4.26Å; Y263-V283 HydrophobicContact CE2-CG2 4Å; Y263-V283 HydrophobicContact CG-CB 4.04Å; Y263-V283 HydrophobicContact CG-CG1 4.35Å; Y263-V283 PolarHBondContact N-O 2.9Å; V283-D312 PolarHBondContact N-O 3.12Å
284	N	98.5	Very high	96.7	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.07	20%	0.2	C	C	.	.	S	Bend	trans	-114.8	-154.7	170.1	-88.2	-79.3	0	0	0	109.4	L261 N264 K265 L266 L281 E282 L286 N314	L261-N284 PolarHBondContact O-ND2 3.16Å; N264-N284 VanDerWaalsContact CA-OD1 3.27Å; N264-N284 WeakPolarHBondContact CA-OD1 3.5Å; N264-N284 WeakPolarHBondContact CB-OD1 3.48Å; N264-N284 PolarHBondContact N-OD1 3.27Å; N264-N284 PolarHBondContact O-OD1 3.49Å; K265-N284 PolarHBondContact N-OD1 3.42Å; L266-N284 HydrophobicContact CB-CB 4.25Å; L266-N284 WeakPolarHBondContact CB-OD1 3.06Å; L266-N284 VanDerWaalsContact CG-OD1 3.3Å; L266-N284 WeakPolarHBondContact CG-OD1 3.02Å; L266-N284 PolarHBondContact N-OD1 3.4Å; L281-N284 PolarHBondContact O-ND2 3.11Å; E282-N284 PolarHBondContact O-N 2.88Å; E282-N284 PolarHBondContact O-ND2 3.41Å; N284-L286 HydrophobicContact CB-CG 4.11Å; N284-N314 VanDerWaalsContact CA-OD1 3.23Å; N284-N314 WeakPolarHBondContact CA-OD1 3.3Å; N284-N314 WeakPolarHBondContact CB-OD1 3.47Å; N284-N314 PolarHBondContact N-OD1 3.03Å; N284-N314 PolarHBondContact O-OD1 3.12Å
285	Q	97.6	Very high	96.6	Very high	67 Å²	67	40 Å²	40	31%	0.313	19%	0.191	S	C	.	.			trans	-124.8	29.3	177	-57.3	173.9	24.4	0	0	111	L266 K267 E287 N314	L266-Q285 CarbonylContact O-C 3.52Å; L266-Q285 WeakPolarHBondContact O-CA 3.37Å; L266-Q285 WeakPolarHBondContact O-CB 3.48Å; L266-Q285 PolarHBondContact O-N 3.38Å; K267-Q285 WeakPolarHBondContact CA-O 3.3Å; K267-Q285 HydrophobicContact CG-CB 4.2Å; Q285-E287 PolarHBondContact O-N 3.04Å; Q285-N314 PolarHBondContact N-OD1 3.34Å
286	L	97.2	Very high	96.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.202	C	C	.	.			trans	-62.7	127.2	-173.2	-57.5	174	0	0	0	110.8	L266 K267 N268 I269 L281 N284 L311 N314 R315 I316	L266-L286 HydrophobicContact CB-CD2 3.92Å; L266-L286 PolarHBondContact O-N 3.4Å; K267-L286 WeakPolarHBondContact O-CA 3.16Å; N268-L286 WeakPolarHBondContact O-CD2 3.2Å; I269-L286 HydrophobicContact CG1-CD1 3.91Å; I269-L286 HydrophobicContact CG1-CD2 4.18Å; L281-L286 HydrophobicContact CB-CD1 4.02Å; L281-L286 HydrophobicContact CD1-CD1 4.25Å; N284-L286 HydrophobicContact CB-CG 4.11Å; L286-L311 HydrophobicContact CD1-CD2 3.65Å; L286-N314 HydrophobicContact CB-CB 3.97Å; L286-N314 WeakPolarHBondContact CB-OD1 3.44Å; L286-N314 WeakPolarHBondContact CG-OD1 3.38Å; L286-N314 PolarHBondContact N-OD1 3.23Å; L286-R315 CarbonylContact O-C 3.55Å; L286-R315 VanDerWaalsContact O-CA 3.28Å; L286-R315 WeakPolarHBondContact O-CA 3.42Å; L286-R315 VanDerWaalsContact O-CB 3.27Å; L286-R315 WeakPolarHBondContact O-CB 3.01Å; L286-R315 PolarHBondContact O-N 3.01Å; L286-I316 HydrophobicContact CB-CD1 3.73Å; L286-I316 HydrophobicContact CB-CG1 4.11Å; L286-I316 HydrophobicContact CD1-CD1 4.41Å; L286-I316 WeakPolarHBondContact O-CG1 3.4Å; L286-I316 PolarHBondContact O-N 2.95Å
287	E	94.1	Very high	95.7	Very high	110 Å²	110	48.8 Å²	48.8	51%	0.514	23%	0.23	S	C	.	.			trans	-105.1	-24.2	-175	-65.4	179.4	-177.4	0	0	113.2	K267 Q285	K267-E287 PolarHBondContact O-N 3Å; K267-E287 VanDerWaalsContact O-N 3.12Å; Q285-E287 PolarHBondContact O-N 3.04Å
288	K	93.1	Very high	95.1	Very high	132 Å²	132	49.9 Å²	49.9	57%	0.574	24%	0.238	S	C	*	.	B	Isolated β-bridge	trans	-139.6	139	-174.7	-174.5	-178	176	-168	0	111.1
289	F	95.2	Very high	94.4	Very high	7 Å²	7	50 Å²	50	3%	0.031	24%	0.244	C	C	.	.			trans	-86.6	116.4	166.3	-165	-78.2	0	0	0	110	I269 V291 F294 L309 L311 I316 L321 P322 M325 L329	I269-F289 HydrophobicContact CD1-CD2 4.04Å; I269-F289 HydrophobicContact CD1-CE2 4.42Å; I269-F289 HydrophobicContact CD1-CG 4.4Å; F289-V291 HydrophobicContact CD1-CG2 4.24Å; F289-V291 HydrophobicContact CE1-CG2 3.96Å; F289-F294 HydrophobicContact CE1-CD2 4.16Å; F289-F294 AromaticContact CE1-CE2 3.73Å; F289-F294 HydrophobicContact CE1-CE2 3.73Å; F289-F294 AromaticContact CE2-CE2 3.85Å; F289-F294 HydrophobicContact CE2-CE2 3.85Å; F289-F294 HydrophobicContact CE2-CZ 4.12Å; F289-F294 HydrophobicContact CZ-CD2 4.02Å; F289-F294 AromaticContact CZ-CE2 3.33Å; F289-F294 HydrophobicContact CZ-CE2 3.33Å; F289-F294 AromaticContact CZ-CZ 3.96Å; F289-F294 HydrophobicContact CZ-CZ 3.96Å; F289-L309 HydrophobicContact CE2-CD2 4.19Å; F289-L311 HydrophobicContact CD2-CD1 3.89Å; F289-L311 HydrophobicContact CE2-CD1 3.72Å; F289-I316 HydrophobicContact CB-CD1 4.44Å; F289-I316 HydrophobicContact CB-CG2 4.42Å; F289-L321 HydrophobicContact CB-CD2 4.07Å; F289-L321 HydrophobicContact CD2-CD2 3.57Å; F289-L321 HydrophobicContact CE2-CD2 4.14Å; F289-L321 HydrophobicContact CG-CD2 3.81Å; F289-P322 HydrophobicContact CD1-CG 4.07Å; F289-M325 HydrophobicContact CD1-SD 4.39Å; F289-M325 HydrophobicContact CE1-CB 4.06Å; F289-M325 HydrophobicContact CE1-CG 3.56Å; F289-M325 HydrophobicContact CE1-SD 3.68Å; F289-M325 HydrophobicContact CE2-SD 3.83Å; F289-M325 HydrophobicContact CZ-CG 3.6Å; F289-M325 HydrophobicContact CZ-SD 3.35Å; F289-M325 WeakPolarHBondContact CZ-SD 3.2Å; F289-L329 HydrophobicContact CZ-CD1 3.85Å
290	D	93.4	Very high	93.6	Very high	64 Å²	64	55.3 Å²	55.3	34%	0.342	28%	0.279	S	S	.	.			trans	-114.1	113.2	174.3	-169.2	-7.8	0	0	0	110.5	K292 S293	D290-K292 PolarHBondContact O-N 3.31Å; D290-K292 WeakPolarHBondContact OD1-CB 3.47Å; D290-K292 PolarHBondContact OD1-N 3.35Å; D290-S293 WeakPolarHBondContact O-CB 3.4Å; D290-S293 PolarHBondContact O-N 3.21Å; D290-S293 VanDerWaalsContact O-N 3.08Å
291	V	94.7	Very high	93	Very high	6 Å²	6	60.6 Å²	60.6	4%	0.036	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-59.5	-29	179.2	179.2	0	0	0	0	111.6	F289 S293 F294 C295 L298 P322 M325 C328	F289-V291 HydrophobicContact CD1-CG2 4.24Å; F289-V291 HydrophobicContact CE1-CG2 3.96Å; V291-S293 PolarHBondContact O-N 3.21Å; V291-F294 PolarHBondContact O-N 3.26Å; V291-C295 PolarHBondContact O-N 3.2Å; V291-L298 HydrophobicContact CG1-CD2 4.05Å; V291-P322 HydrophobicContact CG2-CG 3.52Å; V291-M325 HydrophobicContact CG2-CB 4.05Å; V291-C328 HydrophobicContact CG1-CB 3.54Å
292	K	93.9	Very high	92.5	Very high	154 Å²	154	62 Å²	62	67%	0.67	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66.8	-18.6	179.1	-65.7	-177.9	179.5	178.3	0	113.6	D290 F294 C295	D290-K292 PolarHBondContact O-N 3.31Å; D290-K292 WeakPolarHBondContact OD1-CB 3.47Å; D290-K292 PolarHBondContact OD1-N 3.35Å; K292-F294 PolarHBondContact O-N 3.26Å; K292-C295 WeakPolarHBondContact CA-O 3.24Å
293	S	95.5	Very high	92.4	Very high	8 Å²	8	64.7 Å²	64.7	6%	0.056	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-69.3	-18.5	172.7	-65.4	0	0	0	0	112.7	I269 T271 V272 D290 V291	I269-S293 WeakPolarHBondContact O-CB 3.36Å; I269-S293 PolarHBondContact O-OG 3.01Å; T271-S293 WeakPolarHBondContact CA-O 3.42Å; V272-S293 PolarHBondContact N-O 2.98Å; D290-S293 WeakPolarHBondContact O-CB 3.4Å; D290-S293 PolarHBondContact O-N 3.21Å; D290-S293 VanDerWaalsContact O-N 3.08Å; V291-S293 PolarHBondContact O-N 3.21Å
294	F	96.4	Very high	92.3	Very high	2 Å²	2	62 Å²	62	1%	0.009	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-39.5	-178	-53.4	-78.7	0	0	0	113	I269 V272 E274 Y279 F289 V291 K292 I306 L309 C328 L329	I269-F294 HydrophobicContact CD1-CE2 4.08Å; I269-F294 HydrophobicContact CD1-CZ 4.01Å; I269-F294 HydrophobicContact CG2-CE1 4.22Å; I269-F294 HydrophobicContact CG2-CE2 4.21Å; I269-F294 HydrophobicContact CG2-CZ 3.76Å; V272-F294 HydrophobicContact CG2-CD1 4.41Å; E274-F294 WeakPolarHBondContact CG-O 3.24Å; Y279-F294 HydrophobicContact CD1-CD1 4.46Å; Y279-F294 AromaticContact CD1-CE1 3.86Å; Y279-F294 HydrophobicContact CD1-CE1 3.86Å; Y279-F294 HydrophobicContact CE1-CE1 4.09Å; F289-F294 HydrophobicContact CE1-CD2 4.16Å; F289-F294 AromaticContact CE1-CE2 3.73Å; F289-F294 HydrophobicContact CE1-CE2 3.73Å; F289-F294 AromaticContact CE2-CE2 3.85Å; F289-F294 HydrophobicContact CE2-CE2 3.85Å; F289-F294 HydrophobicContact CE2-CZ 4.12Å; F289-F294 HydrophobicContact CZ-CD2 4.02Å; F289-F294 AromaticContact CZ-CE2 3.33Å; F289-F294 HydrophobicContact CZ-CE2 3.33Å; F289-F294 AromaticContact CZ-CZ 3.96Å; F289-F294 HydrophobicContact CZ-CZ 3.96Å; V291-F294 PolarHBondContact O-N 3.26Å; K292-F294 PolarHBondContact O-N 3.26Å; F294-I306 HydrophobicContact CD1-CD1 3.43Å; F294-I306 VanDerWaalsContact CD1-CD1 3.43Å; F294-I306 HydrophobicContact CE1-CD1 3.85Å; F294-L309 HydrophobicContact CE1-CD1 4.06Å; F294-L309 HydrophobicContact CE1-CD2 4.04Å; F294-L309 HydrophobicContact CZ-CD1 4.29Å; F294-L309 HydrophobicContact CZ-CD2 3.89Å; F294-C328 VanDerWaalsContact CB-SG 3.57Å; F294-L329 HydrophobicContact CB-CD2 4.07Å; F294-L329 HydrophobicContact CD1-CD2 4.27Å; F294-L329 HydrophobicContact CG-CD2 4.12Å
295	C	94.5	Very high	92.2	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.02	33%	0.328	C	S	.	.			trans	-128.4	127.5	-178.1	-62	0	0	0	0	111.3	V291 K292 L298 S304 C328	V291-C295 PolarHBondContact O-N 3.2Å; K292-C295 WeakPolarHBondContact CA-O 3.24Å; C295-L298 HydrophobicContact CB-CD2 4.07Å; C295-S304 PolarHBondContact SG-N 2.82Å; C295-C328 HydrophobicContact CB-CB 3.93Å; C295-C328 WeakPolarHBondContact CB-SG 3.44Å; C295-C328 WeakPolarHBondContact SG-CA 3.48Å; C295-C328 WeakPolarHBondContact SG-CB 3.32Å; C295-C328 CovalentContact SG-SG 2.03Å; C295-C328 PolarHBondContact SG-SG 3.17Å
296	K	88.4	Confident	92.3	Very high	126 Å²	126	62.4 Å²	62.4	55%	0.548	31%	0.314	S	S	.	.	S	Bend	trans	-76.8	-38.4	178.4	-69.5	177.6	-177.3	170.3	0	112.1	N252 E274	N252-K296 PolarHBondContact ND2-NZ 3.45Å; E274-K296 PolarHBondContact OE1-N 3.33Å
297	I	88.1	Confident	92.3	Very high	121 Å²	121	65.9 Å²	65.9	62%	0.621	33%	0.329	S	S	*	.	S	Bend	trans	-134	135.9	179.2	-58	175.2	0	0	0	106.7	S302	I297-S302 WeakPolarHBondContact O-CB 3.44Å; I297-S302 PolarHBondContact O-OG 2.65Å
298	L	85.2	Confident	92.5	Very high	80 Å²	80	63.6 Å²	63.6	42%	0.419	32%	0.318	S	S	.	.			trans	-89.4	126.9	173.5	-62.8	174.1	0	0	0	109	V291 C295 D324 C328	V291-L298 HydrophobicContact CG1-CD2 4.05Å; C295-L298 HydrophobicContact CB-CD2 4.07Å; L298-D324 HydrophobicContact CD1-CB 4.02Å; L298-C328 HydrophobicContact CD2-CB 3.73Å
299	G	84.1	Confident	92.8	Very high	25 Å²	25	57.3 Å²	57.3	26%	0.258	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-173.1	169.9	173.2	0	0	0	0	0	113.6	L301 S302	G299-L301 PolarHBondContact O-N 3.19Å; G299-S302 PolarHBondContact N-O 2.77Å; G299-S302 CarbonylContact O-C 3.52Å; G299-S302 PolarHBondContact O-N 2.98Å
300	P	82.1	Confident	92.9	Very high	111 Å²	111	60.2 Å²	60.2	72%	0.721	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.7	-175	-25.2	34	0	0	0	114.4	R330	P300-R330 PolarHBondContact O-NH1 3.45Å; P300-R330 VanDerWaalsContact O-NH1 3.17Å; P300-R330 PolarHBondContact O-NH2 3.46Å
301	L	85.4	Confident	93.1	Very high	168 Å²	168	57.2 Å²	57.2	88%	0.88	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-2.6	178.1	-59.6	177.6	0	0	0	113.2	G299	G299-L301 PolarHBondContact O-N 3.19Å
302	S	89.6	Confident	93.2	Very high	30 Å²	30	58.5 Å²	58.5	21%	0.21	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-121.6	98.9	-173.4	-171.5	0	0	0	0	109.2	I297 G299	I297-S302 WeakPolarHBondContact O-CB 3.44Å; I297-S302 PolarHBondContact O-OG 2.65Å; G299-S302 PolarHBondContact N-O 2.77Å; G299-S302 CarbonylContact O-C 3.52Å; G299-S302 PolarHBondContact O-N 2.98Å
303	Y	94.4	Very high	93.3	Very high	75 Å²	75	53 Å²	53	29%	0.294	28%	0.279	S	S	.	.			trans	-154.2	158.2	-174.1	65	-76.8	0	0	0	109.9	R330 V331	Y303-R330 HydrophobicContact CD2-CG 4.14Å; Y303-R330 HydrophobicContact CG-CG 4.47Å; Y303-R330 VanDerWaalsContact CG-NE 3.33Å; Y303-V331 HydrophobicContact CD2-CG1 4.1Å; Y303-V331 HydrophobicContact CD2-CG2 4.24Å; Y303-V331 HydrophobicContact CE2-CG1 3.66Å; Y303-V331 HydrophobicContact CE2-CG2 4.16Å
304	S	97.3	Very high	93.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.279	C	S	.	.			trans	-77.5	143.6	177	-176.5	0	0	0	0	110.8	C295 I306 C328 V331	C295-S304 PolarHBondContact SG-N 2.82Å; S304-I306 VanDerWaalsContact C-N 3.3Å; S304-I306 WeakPolarHBondContact OG-CG1 3.31Å; S304-I306 PolarHBondContact OG-N 3.15Å; S304-C328 PolarHBondContact N-O 3.05Å; S304-V331 WeakPolarHBondContact O-CG2 3.3Å
305	K	97.2	Very high	93.4	Very high	88 Å²	88	61.1 Å²	61.1	38%	0.383	31%	0.309	S	S	.	.			trans	-88.8	8.4	174.7	-64.7	-172.8	-172.2	160	0	113.7	E274 N275 L276 K307	E274-K305 WeakPolarHBondContact O-CB 3.44Å; E274-K305 WeakPolarHBondContact O-CG 3.36Å; E274-K305 PolarHBondContact O-N 3.27Å; N275-K305 WeakPolarHBondContact OD1-CE 3.41Å; N275-K305 PolarHBondContact OD1-NZ 2.83Å; L276-K305 CarbonylContact O-C 3.57Å; K305-K307 PolarHBondContact O-N 3.21Å
306	I	98.3	Very high	93.3	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.			trans	-59.5	125.8	179.2	-71.4	172.1	0	0	0	109.4	L276 E277 Y279 F294 S304 L309 L329 V331 A332	L276-I306 HydrophobicContact CB-CG1 4.36Å; L276-I306 VanDerWaalsContact O-CA 3.28Å; L276-I306 WeakPolarHBondContact O-CA 3.3Å; L276-I306 VanDerWaalsContact O-CG1 3.22Å; L276-I306 WeakPolarHBondContact O-CG1 3.41Å; L276-I306 PolarHBondContact O-N 3.48Å; E277-I306 CarbonylContact O-C 3.5Å; E277-I306 WeakPolarHBondContact O-CA 3.4Å; Y279-I306 HydrophobicContact CD1-CD1 4.14Å; F294-I306 HydrophobicContact CD1-CD1 3.43Å; F294-I306 VanDerWaalsContact CD1-CD1 3.43Å; F294-I306 HydrophobicContact CE1-CD1 3.85Å; S304-I306 VanDerWaalsContact C-N 3.3Å; S304-I306 WeakPolarHBondContact OG-CG1 3.31Å; S304-I306 PolarHBondContact OG-N 3.15Å; I306-L309 HydrophobicContact CG2-CB 3.94Å; I306-L329 HydrophobicContact CB-CD2 4.28Å; I306-L329 HydrophobicContact CD1-CD2 4.41Å; I306-V331 CarbonylContact O-C 3.55Å; I306-A332 VanDerWaalsContact O-CA 3.26Å; I306-A332 WeakPolarHBondContact O-CA 3.5Å; I306-A332 PolarHBondContact O-N 3.21Å
307	K	97.9	Very high	93.3	Very high	73 Å²	73	57.4 Å²	57.4	32%	0.317	30%	0.299	S	S	.	.	S	Bend	trans	-101.6	-39.2	175.5	-66	173.3	-172	160.1	0	110.9	E277 K305 N333 E334	E277-K307 PolarHBondContact O-N 3.39Å; E277-K307 IonicContact OE1-NZ 3.39Å; E277-K307 PolarHBondContact OE1-NZ 3.23Å; E277-K307 WeakPolarHBondContact OE2-CE 3.26Å; E277-K307 IonicContact OE2-NZ 3.57Å; E277-K307 PolarHBondContact OE2-NZ 2.04Å; K305-K307 PolarHBondContact O-N 3.21Å; K307-N333 PolarHBondContact O-N 3.17Å; K307-E334 PolarHBondContact O-N 3.07Å; K307-E334 VanDerWaalsContact O-N 3.09Å
308	H	98.3	Very high	93.3	Very high	62 Å²	62	58.7 Å²	58.7	29%	0.287	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.8	-179.7	-50.3	99.2	0	0	0	109.9	E277 N278 Y279 E334	E277-H308 PolarHBondContact O-N 3.32Å; N278-H308 PolarHBondContact OD1-ND1 2.79Å; Y279-H308 PolarHBondContact N-O 3.37Å; H308-E334 WeakPolarHBondContact CA-O 3.42Å
309	L	98.1	Very high	93.4	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.3	178.2	177.9	57.4	0	0	0	109.5	Y279 F289 F294 I306 L311 L329 E334 I335 T336	Y279-L309 HydrophobicContact CD1-CD1 4.21Å; Y279-L309 HydrophobicContact CG-CD1 4.33Å; Y279-L309 WeakPolarHBondContact O-CA 3.21Å; F289-L309 HydrophobicContact CE2-CD2 4.19Å; F294-L309 HydrophobicContact CE1-CD1 4.06Å; F294-L309 HydrophobicContact CE1-CD2 4.04Å; F294-L309 HydrophobicContact CZ-CD1 4.29Å; F294-L309 HydrophobicContact CZ-CD2 3.89Å; I306-L309 HydrophobicContact CG2-CB 3.94Å; L309-L311 HydrophobicContact CD1-CD1 4.4Å; L309-L311 HydrophobicContact CD1-CD2 4.34Å; L309-L311 HydrophobicContact CD1-CG 4.11Å; L309-L311 HydrophobicContact CD2-CD1 3.9Å; L309-L311 HydrophobicContact CD2-CG 4.46Å; L309-L311 HydrophobicContact CG-CD1 3.98Å; L309-L311 HydrophobicContact CG-CG 4Å; L309-L329 HydrophobicContact CD2-CD1 3.74Å; L309-E334 PolarHBondContact N-O 2.65Å; L309-I335 HydrophobicContact CB-CG1 4.31Å; L309-I335 HydrophobicContact CB-CG2 4.45Å; L309-I335 HydrophobicContact CD2-CG2 4.16Å; L309-I335 HydrophobicContact CG-CG2 4.37Å; L309-I335 CarbonylContact O-C 3.12Å; L309-I335 WeakPolarHBondContact O-CA 3.49Å; L309-T336 PolarHBondContact O-N 3.38Å
310	R	97.9	Very high	93.6	Very high	68 Å²	68	62.5 Å²	62.5	26%	0.257	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.8	176.7	-64.3	-121.5	-44.5	137.7	14.7	111.1	Y279 Y280 L281 E282 D312	Y279-R310 PolarHBondContact O-N 3.41Å; Y280-R310 HydrophobicContact CD1-CB 4.13Å; Y280-R310 HydrophobicContact CD1-CG 3.78Å; Y280-R310 HydrophobicContact CE1-CG 4.14Å; L281-R310 CarbonylContact C-O 3.56Å; L281-R310 WeakPolarHBondContact CA-O 3.32Å; L281-R310 WeakPolarHBondContact CB-O 3.31Å; L281-R310 PolarHBondContact N-O 2.95Å; E282-R310 PolarHBondContact N-O 2.03Å; E282-R310 IonicContact OE1-CZ 2.89Å; E282-R310 IonicContact OE1-NE 3.06Å; E282-R310 PolarHBondContact OE1-NE 3.45Å; E282-R310 VanDerWaalsContact OE1-NE 3.16Å; E282-R310 IonicContact OE1-NH2 2.84Å; E282-R310 PolarHBondContact OE1-NH2 2.9Å; E282-R310 WeakPolarHBondContact OE2-CB 3.36Å; E282-R310 IonicContact OE2-NE 3.16Å; R310-D312 IonicContact CZ-OD1 2.67Å; R310-D312 IonicContact CZ-OD2 2.7Å; R310-D312 IonicContact NE-OD1 3.4Å; R310-D312 IonicContact NH1-OD1 3.99Å; R310-D312 PolarHBondContact NH1-OD1 3.14Å; R310-D312 IonicContact NH1-OD2 2.8Å; R310-D312 PolarHBondContact NH1-OD2 3.4Å; R310-D312 IonicContact NH2-OD1 2.68Å; R310-D312 PolarHBondContact NH2-OD1 2.89Å; R310-D312 IonicContact NH2-OD2 3.28Å; R310-D312 PolarHBondContact NH2-OD2 3.04Å
311	L	97.4	Very high	94	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.3	C	S	.	.			trans	-129	3.8	-178.4	-68.1	170.1	0	0	0	112.5	I269 L281 L286 F289 L309 N314 T336 L337	I269-L311 HydrophobicContact CD1-CD2 4.36Å; L281-L311 HydrophobicContact CB-CD2 3.88Å; L281-L311 HydrophobicContact CD1-CD2 3.87Å; L286-L311 HydrophobicContact CD1-CD2 3.65Å; F289-L311 HydrophobicContact CD2-CD1 3.89Å; F289-L311 HydrophobicContact CE2-CD1 3.72Å; L309-L311 HydrophobicContact CD1-CD1 4.4Å; L309-L311 HydrophobicContact CD1-CD2 4.34Å; L309-L311 HydrophobicContact CD1-CG 4.11Å; L309-L311 HydrophobicContact CD2-CD1 3.9Å; L309-L311 HydrophobicContact CD2-CG 4.46Å; L309-L311 HydrophobicContact CG-CD1 3.98Å; L309-L311 HydrophobicContact CG-CG 4Å; L311-N314 VanDerWaalsContact O-CB 3.3Å; L311-N314 WeakPolarHBondContact O-CB 3.42Å; L311-N314 PolarHBondContact O-ND2 2.85Å; L311-T336 CarbonylContact C-O 3.51Å; L311-T336 WeakPolarHBondContact CA-O 3.35Å; L311-T336 WeakPolarHBondContact CB-O 3.39Å; L311-T336 PolarHBondContact N-O 2.8Å; L311-L337 HydrophobicContact CB-CD2 3.73Å; L311-L337 HydrophobicContact CD1-CD2 4.04Å
312	D	96.8	Very high	94.3	Very high	33 Å²	33	52.2 Å²	52.2	18%	0.176	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	154.1	175.9	53.6	-59.7	0	0	0	112.5	E282 V283 R310 N314 T336	E282-D312 CarbonylContact C-O 3.39Å; E282-D312 WeakPolarHBondContact CA-O 3.04Å; E282-D312 WeakPolarHBondContact CB-O 3.02Å; V283-D312 PolarHBondContact N-O 3.12Å; R310-D312 IonicContact CZ-OD1 2.67Å; R310-D312 IonicContact CZ-OD2 2.7Å; R310-D312 IonicContact NE-OD1 3.4Å; R310-D312 IonicContact NH1-OD1 3.99Å; R310-D312 PolarHBondContact NH1-OD1 3.14Å; R310-D312 IonicContact NH1-OD2 2.8Å; R310-D312 PolarHBondContact NH1-OD2 3.4Å; R310-D312 IonicContact NH2-OD1 2.68Å; R310-D312 PolarHBondContact NH2-OD1 2.89Å; R310-D312 IonicContact NH2-OD2 3.28Å; R310-D312 PolarHBondContact NH2-OD2 3.04Å; D312-N314 VanDerWaalsContact C-N 3.26Å; D312-N314 PolarHBondContact O-N 3Å; D312-N314 PolarHBondContact O-ND2 2.79Å; D312-T336 HydrophobicContact CB-CG2 4.16Å; D312-T336 PolarHBondContact N-O 2.97Å
313	G	96.7	Very high	94.4	Very high	38 Å²	38	56.1 Å²	56.1	39%	0.392	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	16.4	-174.5	0	0	0	0	0	114.8	N338	G313-N338 WeakPolarHBondContact CA-OD1 3.36Å; G313-N338 PolarHBondContact N-OD1 3.47Å
314	N	97.6	Very high	94.2	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.07	30%	0.296	C	S	.	.	S	Bend	trans	-104.2	-167	174	-76.4	-74.3	0	0	0	112.5	L281 N284 Q285 L286 L311 D312 N338	L281-N314 PolarHBondContact O-ND2 3.45Å; N284-N314 VanDerWaalsContact CA-OD1 3.23Å; N284-N314 WeakPolarHBondContact CA-OD1 3.3Å; N284-N314 WeakPolarHBondContact CB-OD1 3.47Å; N284-N314 PolarHBondContact N-OD1 3.03Å; N284-N314 PolarHBondContact O-OD1 3.12Å; Q285-N314 PolarHBondContact N-OD1 3.34Å; L286-N314 HydrophobicContact CB-CB 3.97Å; L286-N314 WeakPolarHBondContact CB-OD1 3.44Å; L286-N314 WeakPolarHBondContact CG-OD1 3.38Å; L286-N314 PolarHBondContact N-OD1 3.23Å; L311-N314 VanDerWaalsContact O-CB 3.3Å; L311-N314 WeakPolarHBondContact O-CB 3.42Å; L311-N314 PolarHBondContact O-ND2 2.85Å; D312-N314 VanDerWaalsContact C-N 3.26Å; D312-N314 PolarHBondContact O-N 3Å; D312-N314 PolarHBondContact O-ND2 2.79Å; N314-N338 PolarHBondContact O-ND2 3.07Å
315	R	95.6	Very high	94	Very high	168 Å²	168	56 Å²	56	63%	0.634	30%	0.296	S	S	*	.	S	Bend	trans	-105.4	16.3	173.8	-52.1	174.6	-179.7	-145.5	-2.7	112.2	L286	L286-R315 CarbonylContact O-C 3.55Å; L286-R315 VanDerWaalsContact O-CA 3.28Å; L286-R315 WeakPolarHBondContact O-CA 3.42Å; L286-R315 VanDerWaalsContact O-CB 3.27Å; L286-R315 WeakPolarHBondContact O-CB 3.01Å; L286-R315 PolarHBondContact O-N 3.01Å
316	I	93.6	Very high	93.7	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	31%	0.308	C	S	.	.			trans	-91.1	136.7	173.4	-57.9	179	0	0	0	108	I269 L286 F289 S320 L321 L337 N338	I269-I316 HydrophobicContact CD1-CD1 4.23Å; L286-I316 HydrophobicContact CB-CD1 3.73Å; L286-I316 HydrophobicContact CB-CG1 4.11Å; L286-I316 HydrophobicContact CD1-CD1 4.41Å; L286-I316 WeakPolarHBondContact O-CG1 3.4Å; L286-I316 PolarHBondContact O-N 2.95Å; F289-I316 HydrophobicContact CB-CD1 4.44Å; F289-I316 HydrophobicContact CB-CG2 4.42Å; I316-S320 VanDerWaalsContact CG2-OG 3.32Å; I316-S320 WeakPolarHBondContact CG2-OG 3.23Å; I316-L321 HydrophobicContact CG2-CD2 4.15Å; I316-L337 HydrophobicContact CB-CD2 4.32Å; I316-L337 HydrophobicContact CG2-CD2 3.82Å; I316-N338 PolarHBondContact O-ND2 3.49Å
317	S	87.9	Confident	93.5	Very high	50 Å²	50	64.9 Å²	64.9	35%	0.35	33%	0.334	S	S	.	.			trans	-120.2	160.7	173.1	60.2	0	0	0	0	110.7	T319 S320	S317-T319 PolarHBondContact O-N 3.27Å; S317-T319 VanDerWaalsContact O-N 3.14Å; S317-T319 PolarHBondContact OG-OG1 2.96Å; S317-S320 PolarHBondContact N-OG 3.36Å; S317-S320 WeakPolarHBondContact O-CB 3.39Å; S317-S320 PolarHBondContact O-N 3.12Å; S317-S320 PolarHBondContact O-OG 3.05Å
318	E	88.3	Confident	93.4	Very high	148 Å²	148	61.4 Å²	61.4	69%	0.692	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-53.1	-36.7	175.9	-68.4	-171.9	162.3	0	0	112.8	S320 L321 L337	E318-S320 PolarHBondContact O-N 3.24Å; E318-L321 WeakPolarHBondContact O-CG 3.37Å; E318-L321 PolarHBondContact O-N 3.35Å; E318-L337 HydrophobicContact CG-CD1 4.15Å
319	T	87.4	Confident	93.3	Very high	133 Å²	133	58.8 Å²	58.8	82%	0.816	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-67	-15.3	178.4	53.5	0	0	0	0	114.4	S317	S317-T319 PolarHBondContact O-N 3.27Å; S317-T319 VanDerWaalsContact O-N 3.14Å; S317-T319 PolarHBondContact OG-OG1 2.96Å
320	S	87.1	Confident	93.1	Very high	51 Å²	51	63.7 Å²	63.7	36%	0.357	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-94	-3.5	-179.7	70.5	0	0	0	0	113.6	I316 S317 E318	I316-S320 VanDerWaalsContact CG2-OG 3.32Å; I316-S320 WeakPolarHBondContact CG2-OG 3.23Å; S317-S320 PolarHBondContact N-OG 3.36Å; S317-S320 WeakPolarHBondContact O-CB 3.39Å; S317-S320 PolarHBondContact O-N 3.12Å; S317-S320 PolarHBondContact O-OG 3.05Å; E318-S320 PolarHBondContact O-N 3.24Å
321	L	91.1	Very high	93	Very high	31 Å²	31	63 Å²	63	16%	0.162	33%	0.329	C	S	.	.			trans	-76.7	129.6	-179	-57.6	178.9	0	0	0	111	F289 I316 E318 M325 L337	F289-L321 HydrophobicContact CB-CD2 4.07Å; F289-L321 HydrophobicContact CD2-CD2 3.57Å; F289-L321 HydrophobicContact CE2-CD2 4.14Å; F289-L321 HydrophobicContact CG-CD2 3.81Å; I316-L321 HydrophobicContact CG2-CD2 4.15Å; E318-L321 WeakPolarHBondContact O-CG 3.37Å; E318-L321 PolarHBondContact O-N 3.35Å; L321-M325 HydrophobicContact CB-CE 4.41Å; L321-M325 HydrophobicContact CB-SD 4.38Å; L321-M325 HydrophobicContact CD1-CE 3.88Å; L321-M325 HydrophobicContact CD1-SD 4.2Å; L321-M325 HydrophobicContact CD2-SD 4.12Å; L321-M325 HydrophobicContact CG-SD 4.47Å; L321-L337 HydrophobicContact CD1-CD1 3.53Å; L321-L337 HydrophobicContact CD2-CD1 4.11Å; L321-L337 HydrophobicContact CG-CD1 4.16Å
322	P	92.6	Very high	92.9	Very high	33 Å²	33	64.3 Å²	64.3	21%	0.214	34%	0.34	C	S	.	.			trans	-80.4	146.9	179.7	36.7	-38.2	0	0	0	111	F289 V291 D324 M325	F289-P322 HydrophobicContact CD1-CG 4.07Å; V291-P322 HydrophobicContact CG2-CG 3.52Å; P322-D324 VanDerWaalsContact C-N 3.26Å; P322-D324 WeakPolarHBondContact CB-OD1 3.26Å; P322-D324 WeakPolarHBondContact CG-OD1 3.28Å; P322-D324 PolarHBondContact O-N 3.27Å; P322-M325 HydrophobicContact CG-CB 4.46Å; P322-M325 WeakPolarHBondContact O-CB 3.32Å; P322-M325 PolarHBondContact O-N 3.14Å; P322-M325 VanDerWaalsContact O-N 3.11Å
323	P	90.6	Very high	92.8	Very high	111 Å²	111	68.7 Å²	68.7	72%	0.721	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.9	-175.1	-24.4	33.9	0	0	0	114.9	M325 Y326	P323-M325 PolarHBondContact O-N 2.92Å; P323-Y326 WeakPolarHBondContact O-CD2 3.45Å; P323-Y326 PolarHBondContact O-N 3.38Å
324	D	89.9	Confident	92.6	Very high	68 Å²	68	71.8 Å²	71.8	36%	0.364	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.7	178.2	60.6	-24.6	0	0	0	113.3	L298 P322 Y326 E327 C328	L298-D324 HydrophobicContact CD1-CB 4.02Å; P322-D324 VanDerWaalsContact C-N 3.26Å; P322-D324 WeakPolarHBondContact CB-OD1 3.26Å; P322-D324 WeakPolarHBondContact CG-OD1 3.28Å; P322-D324 PolarHBondContact O-N 3.27Å; D324-Y326 PolarHBondContact O-N 2.95Å; D324-E327 PolarHBondContact O-N 2.67Å; D324-C328 PolarHBondContact O-N 3.03Å
325	M	93.6	Very high	92.4	Very high	4 Å²	4	73.8 Å²	73.8	2%	0.02	38%	0.377	C	S	.	.	H	α-helix	trans	-56.1	-38.8	171	-177.4	-168.4	73.2	0	0	111.7	F289 V291 L321 P322 P323 E327 C328 L329 I335	F289-M325 HydrophobicContact CD1-SD 4.39Å; F289-M325 HydrophobicContact CE1-CB 4.06Å; F289-M325 HydrophobicContact CE1-CG 3.56Å; F289-M325 HydrophobicContact CE1-SD 3.68Å; F289-M325 HydrophobicContact CE2-SD 3.83Å; F289-M325 HydrophobicContact CZ-CG 3.6Å; F289-M325 HydrophobicContact CZ-SD 3.35Å; F289-M325 WeakPolarHBondContact CZ-SD 3.2Å; V291-M325 HydrophobicContact CG2-CB 4.05Å; L321-M325 HydrophobicContact CB-CE 4.41Å; L321-M325 HydrophobicContact CB-SD 4.38Å; L321-M325 HydrophobicContact CD1-CE 3.88Å; L321-M325 HydrophobicContact CD1-SD 4.2Å; L321-M325 HydrophobicContact CD2-SD 4.12Å; L321-M325 HydrophobicContact CG-SD 4.47Å; P322-M325 HydrophobicContact CG-CB 4.46Å; P322-M325 WeakPolarHBondContact O-CB 3.32Å; P322-M325 PolarHBondContact O-N 3.14Å; P322-M325 VanDerWaalsContact O-N 3.11Å; P323-M325 PolarHBondContact O-N 2.92Å; M325-E327 PolarHBondContact O-N 3.44Å; M325-C328 PolarHBondContact O-N 3.35Å; M325-C328 VanDerWaalsContact O-N 3.13Å; M325-L329 HydrophobicContact CG-CB 4.39Å; M325-L329 HydrophobicContact CG-CD1 3.76Å; M325-L329 HydrophobicContact CG-CG 4.11Å; M325-L329 PolarHBondContact O-N 3.12Å; M325-L329 HydrophobicContact SD-CD1 4.16Å; M325-I335 HydrophobicContact CE-CD1 4.14Å; M325-I335 HydrophobicContact SD-CD1 4.34Å
326	Y	91.2	Very high	92.4	Very high	157 Å²	157	67.2 Å²	67.2	62%	0.616	36%	0.356	S	S	*	.	H	α-helix	trans	-65.9	-25.4	-177.6	-64.2	-71.2	0	0	0	113.1	P323 D324 R330	P323-Y326 WeakPolarHBondContact O-CD2 3.45Å; P323-Y326 PolarHBondContact O-N 3.38Å; D324-Y326 PolarHBondContact O-N 2.95Å; Y326-R330 WeakPolarHBondContact O-CA 3.36Å; Y326-R330 WeakPolarHBondContact O-CB 3.39Å; Y326-R330 PolarHBondContact O-N 3.1Å
327	E	93	Very high	92.3	Very high	119 Å²	119	68.5 Å²	68.5	56%	0.556	36%	0.362	S	S	*	.	H	α-helix	trans	-77	-40.3	173	-68.2	-64.1	152	0	0	111.2	D324 M325	D324-E327 PolarHBondContact O-N 2.67Å; M325-E327 PolarHBondContact O-N 3.44Å
328	C	96.1	Very high	92	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-73	-46.5	-179.4	174.3	0	0	0	0	113.1	V291 F294 C295 L298 S304 D324 M325	V291-C328 HydrophobicContact CG1-CB 3.54Å; F294-C328 VanDerWaalsContact CB-SG 3.57Å; C295-C328 HydrophobicContact CB-CB 3.93Å; C295-C328 WeakPolarHBondContact CB-SG 3.44Å; C295-C328 WeakPolarHBondContact SG-CA 3.48Å; C295-C328 WeakPolarHBondContact SG-CB 3.32Å; C295-C328 CovalentContact SG-SG 2.03Å; C295-C328 PolarHBondContact SG-SG 3.17Å; L298-C328 HydrophobicContact CD2-CB 3.73Å; S304-C328 PolarHBondContact N-O 3.05Å; D324-C328 PolarHBondContact O-N 3.03Å; M325-C328 PolarHBondContact O-N 3.35Å; M325-C328 VanDerWaalsContact O-N 3.13Å
329	L	96.3	Very high	92.2	Very high	7 Å²	7	68.6 Å²	68.6	4%	0.037	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	28.3	-175.7	-61.6	-173.3	0	0	0	112.4	F289 F294 I306 L309 M325 V331 A332 I335	F289-L329 HydrophobicContact CZ-CD1 3.85Å; F294-L329 HydrophobicContact CB-CD2 4.07Å; F294-L329 HydrophobicContact CD1-CD2 4.27Å; F294-L329 HydrophobicContact CG-CD2 4.12Å; I306-L329 HydrophobicContact CB-CD2 4.28Å; I306-L329 HydrophobicContact CD1-CD2 4.41Å; L309-L329 HydrophobicContact CD2-CD1 3.74Å; M325-L329 HydrophobicContact CG-CB 4.39Å; M325-L329 HydrophobicContact CG-CD1 3.76Å; M325-L329 HydrophobicContact CG-CG 4.11Å; M325-L329 PolarHBondContact O-N 3.12Å; M325-L329 HydrophobicContact SD-CD1 4.16Å; L329-V331 PolarHBondContact O-N 3.19Å; L329-A332 HydrophobicContact CB-CB 4.27Å; L329-A332 VanDerWaalsContact O-CB 3.24Å; L329-A332 WeakPolarHBondContact O-CB 3.33Å; L329-A332 PolarHBondContact O-N 3.25Å; L329-I335 HydrophobicContact CB-CD1 4.44Å; L329-I335 HydrophobicContact CD1-CD1 3.92Å
330	R	94.8	Very high	92.5	Very high	104 Å²	104	65.2 Å²	65.2	39%	0.392	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.6	-174.1	69.8	-170	-177.1	176.9	5.4	116.1	P300 Y303 Y326	P300-R330 PolarHBondContact O-NH1 3.45Å; P300-R330 VanDerWaalsContact O-NH1 3.17Å; P300-R330 PolarHBondContact O-NH2 3.46Å; Y303-R330 HydrophobicContact CD2-CG 4.14Å; Y303-R330 HydrophobicContact CG-CG 4.47Å; Y303-R330 VanDerWaalsContact CG-NE 3.33Å; Y326-R330 WeakPolarHBondContact O-CA 3.36Å; Y326-R330 WeakPolarHBondContact O-CB 3.39Å; Y326-R330 PolarHBondContact O-N 3.1Å
331	V	95.8	Very high	92.8	Very high	53 Å²	53	65.9 Å²	65.9	32%	0.321	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	7	177.5	-58	0	0	0	0	112.9	Y303 S304 I306 L329 N333	Y303-V331 HydrophobicContact CD2-CG1 4.1Å; Y303-V331 HydrophobicContact CD2-CG2 4.24Å; Y303-V331 HydrophobicContact CE2-CG1 3.66Å; Y303-V331 HydrophobicContact CE2-CG2 4.16Å; S304-V331 WeakPolarHBondContact O-CG2 3.3Å; I306-V331 CarbonylContact O-C 3.55Å; L329-V331 PolarHBondContact O-N 3.19Å; V331-N333 PolarHBondContact O-N 2.66Å
332	A	95.9	Very high	92.9	Very high	28 Å²	28	68 Å²	68	23%	0.231	35%	0.349	C	S	.	.			trans	-67	124.4	173.8	0	0	0	0	0	109.7	I306 L329 I335	I306-A332 VanDerWaalsContact O-CA 3.26Å; I306-A332 WeakPolarHBondContact O-CA 3.5Å; I306-A332 PolarHBondContact O-N 3.21Å; L329-A332 HydrophobicContact CB-CB 4.27Å; L329-A332 VanDerWaalsContact O-CB 3.24Å; L329-A332 WeakPolarHBondContact O-CB 3.33Å; L329-A332 PolarHBondContact O-N 3.25Å; A332-I335 HydrophobicContact CB-CD1 4Å; A332-I335 HydrophobicContact CB-CG1 3.88Å
333	N	93.9	Very high	92.9	Very high	125 Å²	125	70.2 Å²	70.2	67%	0.668	36%	0.358	S	S	*	.	S	Bend	trans	-81.3	-36.8	172.5	-65.2	-25.2	0	0	0	110.5	K307 V331	K307-N333 PolarHBondContact O-N 3.17Å; V331-N333 PolarHBondContact O-N 2.66Å
334	E	92.5	Very high	93.1	Very high	103 Å²	103	67.5 Å²	67.5	48%	0.481	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	126.1	-175.2	-169.6	178	178.8	0	0	110.6	K307 H308 L309 T336	K307-E334 PolarHBondContact O-N 3.07Å; K307-E334 VanDerWaalsContact O-N 3.09Å; H308-E334 WeakPolarHBondContact CA-O 3.42Å; L309-E334 PolarHBondContact N-O 2.65Å; E334-T336 PolarHBondContact OE1-OG1 3.23Å
335	I	93.9	Very high	93.3	Very high	54 Å²	54	67.4 Å²	67.4	28%	0.277	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	105.2	167.9	-56.3	178.2	0	0	0	106.7	L309 M325 L329 A332 L337	L309-I335 HydrophobicContact CB-CG1 4.31Å; L309-I335 HydrophobicContact CB-CG2 4.45Å; L309-I335 HydrophobicContact CD2-CG2 4.16Å; L309-I335 HydrophobicContact CG-CG2 4.37Å; L309-I335 CarbonylContact O-C 3.12Å; L309-I335 WeakPolarHBondContact O-CA 3.49Å; M325-I335 HydrophobicContact CE-CD1 4.14Å; M325-I335 HydrophobicContact SD-CD1 4.34Å; L329-I335 HydrophobicContact CB-CD1 4.44Å; L329-I335 HydrophobicContact CD1-CD1 3.92Å; A332-I335 HydrophobicContact CB-CD1 4Å; A332-I335 HydrophobicContact CB-CG1 3.88Å; I335-L337 HydrophobicContact CG2-CD1 4.35Å; I335-L337 HydrophobicContact CG2-CG 4.41Å
336	T	94.1	Very high	93.3	Very high	31 Å²	31	72.3 Å²	72.3	19%	0.19	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.2	-179	-39.8	0	0	0	0	109.8	L309 L311 D312 E334	L309-T336 PolarHBondContact O-N 3.38Å; L311-T336 CarbonylContact C-O 3.51Å; L311-T336 WeakPolarHBondContact CA-O 3.35Å; L311-T336 WeakPolarHBondContact CB-O 3.39Å; L311-T336 PolarHBondContact N-O 2.8Å; D312-T336 HydrophobicContact CB-CG2 4.16Å; D312-T336 PolarHBondContact N-O 2.97Å; E334-T336 PolarHBondContact OE1-OG1 3.23Å
337	L	92.4	Very high	93.4	Very high	28 Å²	28	65.3 Å²	65.3	15%	0.147	33%	0.333	C	S	.	.			trans	-126.6	175	176.9	-74.3	161.2	0	0	0	110.3	L311 I316 E318 L321 I335	L311-L337 HydrophobicContact CB-CD2 3.73Å; L311-L337 HydrophobicContact CD1-CD2 4.04Å; I316-L337 HydrophobicContact CB-CD2 4.32Å; I316-L337 HydrophobicContact CG2-CD2 3.82Å; E318-L337 HydrophobicContact CG-CD1 4.15Å; L321-L337 HydrophobicContact CD1-CD1 3.53Å; L321-L337 HydrophobicContact CD2-CD1 4.11Å; L321-L337 HydrophobicContact CG-CD1 4.16Å; I335-L337 HydrophobicContact CG2-CD1 4.35Å; I335-L337 HydrophobicContact CG2-CG 4.41Å
338	N	82.5	Confident	93.5	Very high	131 Å²	131	60.4 Å²	60.4	70%	0.701	31%	0.313	S	S	*	.			trans	-69.1	0	176.1	-70.7	-48.2	0	0	0	114.2	G313 N314 I316	G313-N338 WeakPolarHBondContact CA-OD1 3.36Å; G313-N338 PolarHBondContact N-OD1 3.47Å; N314-N338 PolarHBondContact O-ND2 3.07Å; I316-N338 PolarHBondContact O-ND2 3.49Å

Retrieved 338 of 338 residues in 72.4 ms (Link to these results)

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