X6R8F3_HUMAN Loading...

Lipocalin 2

AlphaFold DB , UniProt , Accession X6R8F3, Species HUMAN (Homo sapiens, Human), Gene LCN2, Length 200 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	53.4	Low	53.6	Low	234 Å²	234	117.1 Å²	117.1	100%	1.153	65%	0.649	S	S	*	*				0	61.5	0	-64.3	167.9	60.8	0	0	113.2
2	P	52.2	Low	53.6	Low	94 Å²	94	116.9 Å²	116.9	61%	0.61	65%	0.645	S	S	*	*			trans	-128.2	-10.3	159.8	37.5	-25.8	0	0	0	114.5	G4	P2-G4 PolarHBondContact O-N 3.41Å
3	L	51.5	Low	53.9	Low	132 Å²	132	117.3 Å²	117.3	69%	0.691	64%	0.644	S	S	*	*	H	α-helix	trans	-69.1	-34.8	-172.9	-130.1	78.6	0	0	0	113	L5 L6	L3-L5 PolarHBondContact O-N 3.18Å; L3-L6 PolarHBondContact O-N 2.84Å
4	G	48.8	Very low	53.9	Low	53 Å²	53	111.9 Å²	111.9	55%	0.546	63%	0.629	S	S	.	*	H	α-helix	trans	-68.9	-29.6	-177.3	0	0	0	0	0	114.8	P2 L8	P2-G4 PolarHBondContact O-N 3.41Å; G4-L8 PolarHBondContact O-N 3.26Å
5	L	53.1	Low	53.9	Low	137 Å²	137	107.8 Å²	107.8	72%	0.717	62%	0.615	S	S	*	*	H	α-helix	trans	-72.4	-31.1	178.6	-79.5	157.5	0	0	0	112.2	L3 G9	L3-L5 PolarHBondContact O-N 3.18Å; L5-G9 PolarHBondContact O-N 3.17Å
6	L	55.6	Low	53.7	Low	122 Å²	122	108.4 Å²	108.4	64%	0.639	62%	0.615	S	S	*	*	H	α-helix	trans	-68.3	-37.8	178.3	-128	102.6	0	0	0	112	L3 G9 L10	L3-L6 PolarHBondContact O-N 2.84Å; L6-G9 PolarHBondContact O-N 2.7Å; L6-L10 HydrophobicContact CD2-CD1 4.47Å; L6-L10 PolarHBondContact O-N 2.71Å; L6-L10 VanDerWaalsContact O-N 3.12Å
7	W	49.6	Very low	53.5	Low	191 Å²	191	109.3 Å²	109.3	72%	0.723	61%	0.612	S	S	*	*	H	α-helix	trans	-71.9	-36.5	-177.8	-77.5	64.1	0	0	0	112.6	G9 L10 A11	W7-G9 VanDerWaalsContact C-N 3.35Å; W7-L10 PolarHBondContact O-N 2.82Å; W7-A11 WeakPolarHBondContact O-CB 3.45Å; W7-A11 PolarHBondContact O-N 3.11Å
8	L	55.1	Low	53.3	Low	113 Å²	113	106.4 Å²	106.4	59%	0.592	60%	0.604	S	S	*	*	H	α-helix	trans	-64.1	-39.2	172.2	-78.9	154.9	0	0	0	111.8	G4 A11 L12	G4-L8 PolarHBondContact O-N 3.26Å; L8-A11 PolarHBondContact O-N 3.14Å; L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 PolarHBondContact O-N 3.14Å
9	G	53.2	Low	53.1	Low	31 Å²	31	108.6 Å²	108.6	32%	0.32	61%	0.609	S	S	.	*	H	α-helix	trans	-64.6	-43.4	176.3	0	0	0	0	0	113.3	L5 L6 W7 L12 L13	L5-G9 PolarHBondContact O-N 3.17Å; L6-G9 PolarHBondContact O-N 2.7Å; W7-G9 VanDerWaalsContact C-N 3.35Å; G9-L12 PolarHBondContact O-N 3.18Å; G9-L13 VanDerWaalsContact O-CD1 3.27Å; G9-L13 WeakPolarHBondContact O-CD1 3.49Å; G9-L13 PolarHBondContact O-N 3.06Å
10	L	58.6	Low	52.8	Low	116 Å²	116	106.2 Å²	106.2	61%	0.607	60%	0.604	S	S	*	*	H	α-helix	trans	-67.3	-37.6	177	-82.5	150.4	0	0	0	112.7	L6 W7 G14	L6-L10 HydrophobicContact CD2-CD1 4.47Å; L6-L10 PolarHBondContact O-N 2.71Å; L6-L10 VanDerWaalsContact O-N 3.12Å; W7-L10 PolarHBondContact O-N 2.82Å; L10-G14 PolarHBondContact O-N 3.37Å
11	A	59.1	Low	52.3	Low	65 Å²	65	107 Å²	107	54%	0.537	60%	0.602	S	S	.	*	H	α-helix	trans	-68.2	-39.7	176.1	0	0	0	0	0	112.4	W7 L8 G14 A15	W7-A11 WeakPolarHBondContact O-CB 3.45Å; W7-A11 PolarHBondContact O-N 3.11Å; L8-A11 PolarHBondContact O-N 3.14Å; A11-G14 PolarHBondContact O-N 3.41Å; A11-A15 WeakPolarHBondContact O-CB 3.47Å; A11-A15 PolarHBondContact O-N 2.58Å
12	L	53.7	Low	51.7	Low	115 Å²	115	103.4 Å²	103.4	60%	0.602	59%	0.587	S	S	*	*	H	α-helix	trans	-65.9	-41.9	174.3	-86.8	155.5	0	0	0	112.1	L8 G9 A15 L16	L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 PolarHBondContact O-N 3.14Å; G9-L12 PolarHBondContact O-N 3.18Å; L12-A15 PolarHBondContact O-N 2.84Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 PolarHBondContact O-N 3.04Å
13	L	56.9	Low	51.4	Low	122 Å²	122	102.7 Å²	102.7	64%	0.639	59%	0.585	S	S	*	*	H	α-helix	trans	-63.2	-41.1	172.8	-99.2	98.6	0	0	0	111.9	G9 L16 H17	G9-L13 VanDerWaalsContact O-CD1 3.27Å; G9-L13 WeakPolarHBondContact O-CD1 3.49Å; G9-L13 PolarHBondContact O-N 3.06Å; L13-L16 PolarHBondContact O-N 3.23Å; L13-H17 WeakPolarHBondContact O-CB 3.11Å; L13-H17 PolarHBondContact O-N 3.27Å
14	G	54.4	Low	51.2	Low	41 Å²	41	100.9 Å²	100.9	42%	0.423	58%	0.579	S	S	.	*	H	α-helix	trans	-63.1	-41.2	176.8	0	0	0	0	0	113	L10 A11 H17 A18	L10-G14 PolarHBondContact O-N 3.37Å; A11-G14 PolarHBondContact O-N 3.41Å; G14-H17 PolarHBondContact O-N 3.4Å; G14-A18 WeakPolarHBondContact O-CB 3.21Å; G14-A18 PolarHBondContact O-N 3.04Å
15	A	54.2	Low	51.8	Low	51 Å²	51	102.1 Å²	102.1	42%	0.421	58%	0.58	S	S	.	*	H	α-helix	trans	-67.1	-40.3	175.7	0	0	0	0	0	112.5	A11 L12 A18 Q19	A11-A15 WeakPolarHBondContact O-CB 3.47Å; A11-A15 PolarHBondContact O-N 2.58Å; L12-A15 PolarHBondContact O-N 2.84Å; A15-A18 PolarHBondContact O-N 2.92Å; A15-Q19 WeakPolarHBondContact O-CB 3.31Å; A15-Q19 WeakPolarHBondContact O-CG 3.3Å; A15-Q19 PolarHBondContact O-N 3.21Å
16	L	49.7	Very low	53.3	Low	117 Å²	117	102.9 Å²	102.9	61%	0.613	58%	0.584	S	S	*	*	H	α-helix	trans	-63.6	-40.8	173.5	-91.7	152	0	0	0	112.3	L12 L13 A20	L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 PolarHBondContact O-N 3.04Å; L13-L16 PolarHBondContact O-N 3.23Å; L16-A20 WeakPolarHBondContact O-CB 3.21Å; L16-A20 PolarHBondContact O-N 2.59Å
17	H	50.6	Low	55.1	Low	124 Å²	124	98.9 Å²	98.9	57%	0.574	56%	0.564	S	S	*	*	H	α-helix	trans	-67.8	-42.4	177.7	-129.7	74.7	0	0	0	111.7	L13 G14 Q19 A20 Q21	L13-H17 WeakPolarHBondContact O-CB 3.11Å; L13-H17 PolarHBondContact O-N 3.27Å; G14-H17 PolarHBondContact O-N 3.4Å; H17-Q19 PolarHBondContact O-N 3.32Å; H17-A20 PolarHBondContact O-N 3.15Å; H17-Q21 PolarHBondContact CD2-OE1 3.34Å; H17-Q21 PolarHBondContact O-N 3.34Å; H17-Q21 PolarHBondContact O-OE1 2.95Å
18	A	50.1	Low	57.4	Low	57 Å²	57	91.7 Å²	91.7	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-63.9	-39.5	176.5	0	0	0	0	0	112.3	G14 A15 A20 Q21	G14-A18 WeakPolarHBondContact O-CB 3.21Å; G14-A18 PolarHBondContact O-N 3.04Å; A15-A18 PolarHBondContact O-N 2.92Å; A18-A20 VanDerWaalsContact C-N 3.33Å; A18-A20 PolarHBondContact O-N 2.86Å; A18-Q21 PolarHBondContact O-N 2.81Å
19	Q	49	Very low	59.4	Low	149 Å²	149	91.4 Å²	91.4	70%	0.696	54%	0.544	S	S	*	.	H	α-helix	trans	-70.5	-26.5	174.8	-74.6	-176.4	-50.9	0	0	113.4	A15 H17	A15-Q19 WeakPolarHBondContact O-CB 3.31Å; A15-Q19 WeakPolarHBondContact O-CG 3.3Å; A15-Q19 PolarHBondContact O-N 3.21Å; H17-Q19 PolarHBondContact O-N 3.32Å
20	A	47.8	Very low	61.5	Low	60 Å²	60	90.9 Å²	90.9	50%	0.496	54%	0.537	S	S	.	.	H	α-helix	trans	-79.6	-29.9	176.3	0	0	0	0	0	113	L16 H17 A18	L16-A20 WeakPolarHBondContact O-CB 3.21Å; L16-A20 PolarHBondContact O-N 2.59Å; H17-A20 PolarHBondContact O-N 3.15Å; A18-A20 VanDerWaalsContact C-N 3.33Å; A18-A20 PolarHBondContact O-N 2.86Å
21	Q	41.7	Very low	63.4	Low	124 Å²	124	86 Å²	86	58%	0.579	51%	0.512	S	S	*	.	H	α-helix	trans	-77.7	-20.6	-179.3	-100.6	157.8	-38.8	0	0	114.4	H17 A18 S23 T24	H17-Q21 PolarHBondContact CD2-OE1 3.34Å; H17-Q21 PolarHBondContact O-N 3.34Å; H17-Q21 PolarHBondContact O-OE1 2.95Å; A18-Q21 PolarHBondContact O-N 2.81Å; Q21-S23 PolarHBondContact O-N 3.47Å; Q21-T24 PolarHBondContact O-OG1 2.61Å
22	D	42	Very low	65.2	Low	157 Å²	157	86.3 Å²	86.3	84%	0.84	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-0.7	-179.1	-93.9	-14.8	0	0	0	114.9
23	S	45	Very low	67.3	Low	80 Å²	80	83.8 Å²	83.8	56%	0.559	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-1.5	-176.7	23.6	0	0	0	0	116	Q21 S25	Q21-S23 PolarHBondContact O-N 3.47Å; S23-S25 PolarHBondContact O-N 2.72Å; S23-S25 VanDerWaalsContact O-N 3.16Å
24	T	47.5	Very low	69.2	Low	93 Å²	93	83.4 Å²	83.4	57%	0.571	50%	0.503	S	S	*	.			trans	-93.1	64.6	-172.2	60.9	0	0	0	0	112.5	Q21 D26	Q21-T24 PolarHBondContact O-OG1 2.61Å; T24-D26 PolarHBondContact O-N 2.93Å
25	S	61.5	Low	71.3	Confident	80 Å²	80	87.3 Å²	87.3	56%	0.559	51%	0.508	S	S	*	.			trans	-79	101.5	150	165	0	0	0	0	106.3	S23 L27 R152	S23-S25 PolarHBondContact O-N 2.72Å; S23-S25 VanDerWaalsContact O-N 3.16Å; S25-L27 PolarHBondContact O-N 2.9Å; S25-R152 PolarHBondContact O-NH2 2.86Å
26	D	84.8	Confident	73.4	Confident	152 Å²	152	85 Å²	85	81%	0.813	49%	0.489	S	S	*	.			trans	-61.5	102.7	176.3	-74	-19.6	0	0	0	108.7	T24	T24-D26 PolarHBondContact O-N 2.93Å
27	L	93.8	Very high	75.7	Confident	39 Å²	39	82.8 Å²	82.8	20%	0.204	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-75.8	139.2	175.8	-67.5	172.6	0	0	0	108.9	S25 P29 A60 R152 Y154	S25-L27 PolarHBondContact O-N 2.9Å; L27-P29 WeakPolarHBondContact O-CD 3.31Å; L27-A60 HydrophobicContact CD2-CB 4.49Å; L27-R152 HydrophobicContact CD1-CB 4.13Å; L27-Y154 HydrophobicContact CD1-CD1 3.87Å; L27-Y154 HydrophobicContact CD1-CE1 3.52Å; L27-Y154 HydrophobicContact CD2-CD1 4.36Å; L27-Y154 HydrophobicContact CD2-CE1 4.05Å; L27-Y154 HydrophobicContact CG-CE1 4.45Å
28	I	96.8	Very high	78	Confident	40 Å²	40	79.4 Å²	79.4	21%	0.205	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-55.3	125.8	165.1	-60.2	166.6	0	0	0	107.7	N59 L183 P184	I28-N59 HydrophobicContact CB-CB 3.88Å; I28-N59 VanDerWaalsContact O-CB 3.31Å; I28-N59 WeakPolarHBondContact O-CB 3.46Å; I28-N59 PolarHBondContact O-ND2 2.76Å; I28-L183 HydrophobicContact CD1-CD2 4Å; I28-P184 HydrophobicContact CD1-CG 4.11Å
29	P	97.1	Very high	80.3	Confident	107 Å²	107	78.5 Å²	78.5	70%	0.695	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-58.7	144.8	-177.5	-25.1	33.9	0	0	0	111.9	L27 F155	L27-P29 WeakPolarHBondContact O-CD 3.31Å; P29-F155 WeakPolarHBondContact O-CE1 3.34Å
30	A	97.5	Very high	82.7	Confident	20 Å²	20	79.1 Å²	79.1	17%	0.165	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-66.5	138.9	175.1	0	0	0	0	0	110.6	K146 E153 F155	A30-K146 HydrophobicContact CB-CD 4.05Å; A30-E153 VanDerWaalsContact CB-CD 3.47Å; A30-E153 HydrophobicContact CB-CG 3.82Å; A30-E153 VanDerWaalsContact CB-OE2 3.25Å; A30-E153 WeakPolarHBondContact CB-OE2 3.23Å; A30-F155 HydrophobicContact CB-CB 4.4Å; A30-F155 HydrophobicContact CB-CD1 3.85Å; A30-F155 HydrophobicContact CB-CG 4.38Å
31	P	97.7	Very high	85.1	Confident	13 Å²	13	82.9 Å²	82.9	8%	0.084	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-68.2	150.5	177.7	30.9	-37.5	0	0	0	110.4	V36 F144 F155 L181	P31-V36 HydrophobicContact CG-CG2 4.29Å; P31-F144 HydrophobicContact CG-CE2 3.91Å; P31-F144 HydrophobicContact CG-CZ 4.17Å; P31-F155 HydrophobicContact CG-CD2 4.39Å; P31-F155 HydrophobicContact CG-CE2 4.29Å; P31-L181 HydrophobicContact CB-CB 4.31Å; P31-L181 HydrophobicContact CB-CD2 3.85Å; P31-L181 HydrophobicContact CG-CB 4.08Å; P31-L181 HydrophobicContact CG-CD1 4.28Å; P31-L181 HydrophobicContact CG-CD2 3.9Å; P31-L181 HydrophobicContact CG-CG 4.29Å
32	P	97.6	Very high	87.8	Confident	71 Å²	71	77.8 Å²	77.8	46%	0.461	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-61.9	144.6	169.6	28.2	-35.2	0	0	0	110.1	S34 K35	P32-S34 PolarHBondContact O-N 2.94Å; P32-K35 HydrophobicContact CG-CD 4.08Å; P32-K35 HydrophobicContact CG-CG 4.05Å; P32-K35 PolarHBondContact O-N 3.39Å
33	L	97.3	Very high	90.5	Very high	62 Å²	62	74.4 Å²	74.4	33%	0.325	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-62.2	-17.7	-179.2	-68.2	-178.2	0	0	0	113.6	K35 V36 L129 R131 F144	L33-K35 PolarHBondContact O-N 3.22Å; L33-V36 PolarHBondContact O-N 3.5Å; L33-V36 VanDerWaalsContact O-N 3.11Å; L33-L129 HydrophobicContact CD1-CD2 3.77Å; L33-L129 HydrophobicContact CD2-CD2 3.62Å; L33-L129 HydrophobicContact CG-CD2 4.35Å; L33-R131 PolarHBondContact O-NH1 2.95Å; L33-F144 HydrophobicContact CD2-CE1 3.92Å
34	S	97.7	Very high	93	Very high	115 Å²	115	72.4 Å²	72.4	80%	0.804	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-64.5	-22	171.6	55.3	0	0	0	0	113.5	P32	P32-S34 PolarHBondContact O-N 2.94Å
35	K	98.3	Very high	95.4	Very high	123 Å²	123	72.8 Å²	72.8	54%	0.535	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-89.7	-2.8	173.5	-68.8	-174.5	179	-173.9	0	113.6	P32 L33 P37 L181	P32-K35 HydrophobicContact CG-CD 4.08Å; P32-K35 HydrophobicContact CG-CG 4.05Å; P32-K35 PolarHBondContact O-N 3.39Å; L33-K35 PolarHBondContact O-N 3.22Å; K35-P37 WeakPolarHBondContact O-CD 3.35Å; K35-L181 HydrophobicContact CB-CD2 3.99Å
36	V	98.6	Very high	97.2	Very high	3 Å²	3	73.9 Å²	73.9	2%	0.018	40%	0.401	C	S	.	.	S	Bend	trans	-112	99.4	-177.9	-175.4	0	0	0	0	108.5	P31 L33 R131 V133 F144 F177 L181	P31-V36 HydrophobicContact CG-CG2 4.29Å; L33-V36 PolarHBondContact O-N 3.5Å; L33-V36 VanDerWaalsContact O-N 3.11Å; V36-R131 HydrophobicContact CG1-CG 4.47Å; V36-R131 PolarHBondContact O-NH1 2.97Å; V36-V133 HydrophobicContact CG1-CG2 3.85Å; V36-F144 HydrophobicContact CG1-CB 3.62Å; V36-F144 HydrophobicContact CG1-CD1 3.91Å; V36-F144 HydrophobicContact CG1-CD2 4.05Å; V36-F144 HydrophobicContact CG1-CG 3.61Å; V36-F144 HydrophobicContact CG2-CD1 4.39Å; V36-F144 HydrophobicContact CG2-CD2 3.98Å; V36-F144 HydrophobicContact CG2-CE1 4.29Å; V36-F144 HydrophobicContact CG2-CE2 3.9Å; V36-F144 HydrophobicContact CG2-CG 4.23Å; V36-F144 HydrophobicContact CG2-CZ 4.07Å; V36-F177 HydrophobicContact CG1-CZ 4.5Å; V36-L181 HydrophobicContact CG2-CD2 4.17Å
37	P	98.6	Very high	97.9	Very high	70 Å²	70	66.8 Å²	66.8	46%	0.455	36%	0.363	S	S	.	.			trans	-56.1	157	177.2	-22.9	32.2	0	0	0	112.2	K35 R131 V133	K35-P37 WeakPolarHBondContact O-CD 3.35Å; P37-R131 WeakPolarHBondContact O-CD 3.34Å; P37-V133 HydrophobicContact CB-CG1 4.06Å; P37-V133 HydrophobicContact CG-CG1 4.2Å; P37-V133 WeakPolarHBondContact O-CA 3.3Å
38	L	98.8	Very high	98.1	Very high	52 Å²	52	68.1 Å²	68.1	27%	0.272	37%	0.368	S	S	.	.			trans	-114.7	133.5	171.6	176.3	66.9	0	0	0	108.2	Q40 Q110 E113 R131	L38-Q40 PolarHBondContact O-N 2.85Å; L38-Q40 VanDerWaalsContact O-N 3.15Å; L38-Q110 HydrophobicContact CD2-CB 3.67Å; L38-Q110 HydrophobicContact CD2-CG 4.31Å; L38-E113 HydrophobicContact CD1-CG 3.85Å; L38-E113 HydrophobicContact CD2-CG 4.49Å; L38-R131 HydrophobicContact CB-CG 4.48Å; L38-R131 HydrophobicContact CD1-CG 3.75Å
39	Q	98.6	Very high	98.2	Very high	39 Å²	39	67.5 Å²	67.5	18%	0.182	37%	0.372	C	S	.	.			trans	-55.8	119.4	173.8	171.8	61.7	45.5	0	0	109.7	F42 V132 V133 S134 T135	Q39-F42 HydrophobicContact CB-CD2 4.43Å; Q39-F42 HydrophobicContact CG-CB 4.27Å; Q39-F42 HydrophobicContact CG-CD2 4.15Å; Q39-V132 HydrophobicContact CB-CB 4.42Å; Q39-V132 HydrophobicContact CB-CG1 4Å; Q39-V132 PolarHBondContact N-O 3Å; Q39-V133 PolarHBondContact N-O 2.98Å; Q39-S134 VanDerWaalsContact OE1-CA 3.3Å; Q39-T135 HydrophobicContact CG-CG2 4Å; Q39-T135 PolarHBondContact OE1-O 2.8Å
40	Q	97.9	Very high	98.3	Very high	161 Å²	161	65.4 Å²	65.4	75%	0.752	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	141.6	176	-66.7	-175.8	-4.4	0	0	110.8	L38 F42	L38-Q40 PolarHBondContact O-N 2.85Å; L38-Q40 VanDerWaalsContact O-N 3.15Å; Q40-F42 PolarHBondContact O-N 2.9Å
41	N	97.8	Very high	98.3	Very high	140 Å²	140	64.4 Å²	64.4	75%	0.749	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	46.3	177.4	-61.3	-24.2	0	0	0	112.6	Q43	N41-Q43 WeakPolarHBondContact O-CG 3.15Å; N41-Q43 PolarHBondContact O-N 3.34Å; N41-Q43 PolarHBondContact O-NE2 2.86Å
42	F	98.7	Very high	98.4	Very high	17 Å²	17	65.1 Å²	65.1	8%	0.075	35%	0.345	C	S	.	.			trans	-51.7	126.4	-177.4	176.1	-99	0	0	0	111.8	Q39 Q40 D44 F47 P111 G112 F114 V132 Y137	Q39-F42 HydrophobicContact CB-CD2 4.43Å; Q39-F42 HydrophobicContact CG-CB 4.27Å; Q39-F42 HydrophobicContact CG-CD2 4.15Å; Q40-F42 PolarHBondContact O-N 2.9Å; F42-D44 HydrophobicContact CE1-CB 3.93Å; F42-F47 HydrophobicContact CE2-CB 3.71Å; F42-F47 HydrophobicContact CE2-CD1 4.25Å; F42-F47 AromaticContact CE2-CD2 3.77Å; F42-F47 HydrophobicContact CE2-CD2 3.77Å; F42-F47 HydrophobicContact CE2-CE2 4.47Å; F42-F47 AromaticContact CE2-CG 3.64Å; F42-F47 HydrophobicContact CE2-CG 3.64Å; F42-F47 HydrophobicContact CZ-CB 3.5Å; F42-F47 VanDerWaalsContact CZ-CB 3.5Å; F42-F47 AromaticContact CZ-CD1 3.95Å; F42-F47 HydrophobicContact CZ-CD1 3.95Å; F42-F47 HydrophobicContact CZ-CD2 4.25Å; F42-F47 AromaticContact CZ-CG 3.63Å; F42-F47 HydrophobicContact CZ-CG 3.63Å; F42-P111 HydrophobicContact CB-CB 4.3Å; F42-G112 VanDerWaalsContact CG-CA 3.5Å; F42-F114 HydrophobicContact CE1-CE2 4.28Å; F42-F114 AromaticContact CE1-CZ 3.85Å; F42-F114 HydrophobicContact CE1-CZ 3.85Å; F42-F114 HydrophobicContact CZ-CE2 4.42Å; F42-F114 HydrophobicContact CZ-CZ 4.31Å; F42-V132 HydrophobicContact CD2-CB 4.13Å; F42-V132 HydrophobicContact CD2-CG1 4.04Å; F42-V132 HydrophobicContact CD2-CG2 4.25Å; F42-V132 HydrophobicContact CE2-CB 4.06Å; F42-V132 HydrophobicContact CE2-CG1 3.94Å; F42-V132 HydrophobicContact CE2-CG2 3.73Å; F42-V132 HydrophobicContact CZ-CG2 4.19Å; F42-Y137 HydrophobicContact CD2-CE1 4.4Å; F42-Y137 HydrophobicContact CE2-CE1 4.43Å
43	Q	98.7	Very high	98.4	Very high	85 Å²	85	61.8 Å²	61.8	40%	0.397	32%	0.323	S	S	.	.			trans	-102.4	97.1	-179.5	-57.9	-62.9	-56.7	0	0	109.7	N41 N45 Q46 F47 Y137	N41-Q43 WeakPolarHBondContact O-CG 3.15Å; N41-Q43 PolarHBondContact O-N 3.34Å; N41-Q43 PolarHBondContact O-NE2 2.86Å; Q43-N45 VanDerWaalsContact C-N 3.34Å; Q43-N45 PolarHBondContact O-N 2.83Å; Q43-Q46 HydrophobicContact CB-CB 3.95Å; Q43-Q46 HydrophobicContact CB-CG 3.89Å; Q43-Q46 PolarHBondContact O-N 3.28Å; Q43-F47 PolarHBondContact O-N 2.87Å; Q43-F47 VanDerWaalsContact O-N 3.14Å; Q43-Y137 HydrophobicContact CB-CE1 3.91Å; Q43-Y137 PolarHBondContact N-OH 3.25Å; Q43-Y137 WeakPolarHBondContact O-CE1 3.19Å
44	D	98.2	Very high	98.5	Very high	39 Å²	39	59 Å²	59	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-54.9	-46.7	-179	59.3	-10	0	0	0	112.6	F42 Q46 F47 Q48 L78 K82 Y84	F42-D44 HydrophobicContact CE1-CB 3.93Å; D44-Q46 PolarHBondContact O-N 3.11Å; D44-F47 PolarHBondContact O-N 2.9Å; D44-F47 VanDerWaalsContact O-N 3.14Å; D44-Q48 PolarHBondContact O-N 2.86Å; D44-L78 HydrophobicContact CB-CD1 4.12Å; D44-L78 HydrophobicContact CB-CD2 4.15Å; D44-K82 IonicContact OD2-NZ 3.41Å; D44-K82 PolarHBondContact OD2-NZ 2.95Å; D44-Y84 WeakPolarHBondContact CA-OH 3.2Å; D44-Y84 WeakPolarHBondContact CB-OH 3.31Å; D44-Y84 PolarHBondContact O-OH 2.88Å
45	N	98.4	Very high	98.6	Very high	100 Å²	100	53.5 Å²	53.5	54%	0.535	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-23	179.1	-169.8	60.8	0	0	0	113	Q43 Q48 L78	Q43-N45 VanDerWaalsContact C-N 3.34Å; Q43-N45 PolarHBondContact O-N 2.83Å; N45-Q48 VanDerWaalsContact O-CG 3.27Å; N45-Q48 WeakPolarHBondContact O-CG 3.38Å; N45-Q48 PolarHBondContact O-NE2 3.36Å; N45-Q48 PolarHBondContact OD1-NE2 2.83Å; N45-L78 HydrophobicContact CB-CD2 4.2Å
46	Q	98.7	Very high	98.6	Very high	103 Å²	103	48 Å²	48	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-87.5	-24.3	175.7	-63.2	-169.2	50.4	0	0	112.3	Q43 D44 Y137 R162	Q43-Q46 HydrophobicContact CB-CB 3.95Å; Q43-Q46 HydrophobicContact CB-CG 3.89Å; Q43-Q46 PolarHBondContact O-N 3.28Å; D44-Q46 PolarHBondContact O-N 3.11Å; Q46-Y137 HydrophobicContact CB-CD1 3.52Å; Q46-Y137 HydrophobicContact CB-CD2 4.32Å; Q46-Y137 HydrophobicContact CB-CE1 4.11Å; Q46-Y137 HydrophobicContact CB-CG 3.65Å; Q46-R162 PolarHBondContact O-NH2 2.82Å
47	F	98.8	Very high	98.6	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-79.9	-18.6	-177.4	-166.1	-101.2	0	0	0	113.8	F42 Q43 D44 W51 Y76 V132 T135 Y137 A141 V143	F42-F47 HydrophobicContact CE2-CB 3.71Å; F42-F47 HydrophobicContact CE2-CD1 4.25Å; F42-F47 AromaticContact CE2-CD2 3.77Å; F42-F47 HydrophobicContact CE2-CD2 3.77Å; F42-F47 HydrophobicContact CE2-CE2 4.47Å; F42-F47 AromaticContact CE2-CG 3.64Å; F42-F47 HydrophobicContact CE2-CG 3.64Å; F42-F47 HydrophobicContact CZ-CB 3.5Å; F42-F47 VanDerWaalsContact CZ-CB 3.5Å; F42-F47 AromaticContact CZ-CD1 3.95Å; F42-F47 HydrophobicContact CZ-CD1 3.95Å; F42-F47 HydrophobicContact CZ-CD2 4.25Å; F42-F47 AromaticContact CZ-CG 3.63Å; F42-F47 HydrophobicContact CZ-CG 3.63Å; Q43-F47 PolarHBondContact O-N 2.87Å; Q43-F47 VanDerWaalsContact O-N 3.14Å; D44-F47 PolarHBondContact O-N 2.9Å; D44-F47 VanDerWaalsContact O-N 3.14Å; F47-W51 HydrophobicContact CD2-CZ2 4.1Å; F47-W51 HydrophobicContact CE2-CZ2 4.08Å; F47-W51 PolarHBondContact O-NE1 2.88Å; F47-Y76 HydrophobicContact CD1-CD1 4.44Å; F47-Y76 HydrophobicContact CD1-CG 4.46Å; F47-Y76 HydrophobicContact CE1-CD1 4.16Å; F47-Y76 HydrophobicContact CE1-CD2 4.29Å; F47-Y76 HydrophobicContact CE1-CE1 4.12Å; F47-Y76 HydrophobicContact CE1-CE2 4.24Å; F47-Y76 HydrophobicContact CE1-CG 4.26Å; F47-V132 HydrophobicContact CE1-CG2 4.49Å; F47-V132 HydrophobicContact CE2-CG1 4.17Å; F47-V132 HydrophobicContact CE2-CG2 4.49Å; F47-V132 HydrophobicContact CZ-CG2 4.26Å; F47-T135 HydrophobicContact CD2-CG2 4.06Å; F47-T135 HydrophobicContact CE2-CG2 4.31Å; F47-Y137 HydrophobicContact CB-CD1 4.21Å; F47-Y137 HydrophobicContact CB-CE1 4.44Å; F47-Y137 HydrophobicContact CD2-CD1 4.38Å; F47-A141 HydrophobicContact CE2-CB 3.63Å; F47-A141 HydrophobicContact CZ-CB 4.23Å; F47-V143 HydrophobicContact CZ-CG2 3.89Å
48	Q	98.6	Very high	98.6	Very high	67 Å²	67	44.5 Å²	44.5	31%	0.313	22%	0.224	S	C	.	.			trans	-59.4	169.6	179.1	71	-172.9	-38	0	0	113.8	D44 N45 Y76 Y84 R162	D44-Q48 PolarHBondContact O-N 2.86Å; N45-Q48 VanDerWaalsContact O-CG 3.27Å; N45-Q48 WeakPolarHBondContact O-CG 3.38Å; N45-Q48 PolarHBondContact O-NE2 3.36Å; N45-Q48 PolarHBondContact OD1-NE2 2.83Å; Q48-Y76 CarbonylContact C-O 3.56Å; Q48-Y76 VanDerWaalsContact CA-O 3.29Å; Q48-Y76 WeakPolarHBondContact CA-O 3.43Å; Q48-Y76 WeakPolarHBondContact CB-O 3.49Å; Q48-Y84 HydrophobicContact CB-CE1 4.19Å; Q48-R162 VanDerWaalsContact O-CZ 3.32Å; Q48-R162 PolarHBondContact O-NH1 3.22Å; Q48-R162 PolarHBondContact O-NH2 2.95Å
49	G	98.5	Very high	98.6	Very high	28 Å²	28	42.3 Å²	42.3	29%	0.289	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	95.6	-172.1	-179.3	0	0	0	0	0	113.9	I75 Y76	G49-I75 WeakPolarHBondContact O-CA 3.4Å; G49-Y76 PolarHBondContact N-O 3.3Å; G49-Y76 PolarHBondContact O-N 2.87Å
50	K	98.7	Very high	98.5	Very high	62 Å²	62	43.5 Å²	43.5	27%	0.27	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	139.6	-178.9	-170.2	-174.2	-69.1	-176.9	0	110.9	Y52 A73 I75 R162 I198 G200	K50-Y52 HydrophobicContact CD-CE2 4.4Å; K50-A73 HydrophobicContact CD-CB 4.49Å; K50-A73 HydrophobicContact CG-CB 4.25Å; K50-I75 HydrophobicContact CB-CG1 4.17Å; K50-I75 HydrophobicContact CG-CG1 4.08Å; K50-R162 PolarHBondContact O-NH1 2.92Å; K50-I198 PolarHBondContact NZ-O 2.85Å; K50-G200 PolarHBondContact NZ-O 3.45Å
51	W	98.9	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.4	171.5	-68.3	97.1	0	0	0	110	F47 A73 T74 Y76 Y137 A141 Y160 R162	F47-W51 HydrophobicContact CD2-CZ2 4.1Å; F47-W51 HydrophobicContact CE2-CZ2 4.08Å; F47-W51 PolarHBondContact O-NE1 2.88Å; W51-A73 CarbonylContact O-C 3.58Å; W51-A73 WeakPolarHBondContact O-CA 3.42Å; W51-T74 PolarHBondContact N-O 2.83Å; W51-T74 PolarHBondContact O-N 2.83Å; W51-Y76 AromaticContact CD1-CD2 3.88Å; W51-Y137 WeakPolarHBondContact CH2-O 3.44Å; W51-Y137 WeakPolarHBondContact CZ2-O 3.34Å; W51-A141 HydrophobicContact CH2-CB 4.15Å; W51-A141 HydrophobicContact CZ2-CB 4.46Å; W51-A141 HydrophobicContact CZ3-CB 4.34Å; W51-Y160 HydrophobicContact CB-CD1 3.5Å; W51-Y160 VanDerWaalsContact CB-CD1 3.5Å; W51-Y160 HydrophobicContact CB-CE1 4.08Å; W51-Y160 HydrophobicContact CB-CG 3.85Å; W51-Y160 HydrophobicContact CD2-CG 4.49Å; W51-Y160 HydrophobicContact CG-CD1 4.35Å; W51-Y160 HydrophobicContact CG-CG 4.25Å; W51-R162 HydrophobicContact CE3-CG 4.04Å; W51-R162 HydrophobicContact CH2-CG 4.04Å; W51-R162 VanDerWaalsContact CH2-NE 3.28Å; W51-R162 VanDerWaalsContact CZ2-NH2 3.25Å; W51-R162 HydrophobicContact CZ3-CG 3.64Å
52	Y	98.9	Very high	98.3	Very high	28 Å²	28	35.5 Å²	35.5	11%	0.11	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.1	170.7	-65.3	-84.2	0	0	0	110.4	K50 V54 M71 A73 Y160 G161 R162 K164 I198 D199	K50-Y52 HydrophobicContact CD-CE2 4.4Å; Y52-V54 PolarHBondContact O-N 2.92Å; Y52-M71 HydrophobicContact CD1-SD 3.96Å; Y52-M71 HydrophobicContact CG-SD 4.27Å; Y52-A73 HydrophobicContact CD1-CB 4.48Å; Y52-Y160 CarbonylContact O-C 3.53Å; Y52-Y160 VanDerWaalsContact O-CA 3.27Å; Y52-Y160 WeakPolarHBondContact O-CA 3.36Å; Y52-G161 PolarHBondContact N-O 2.97Å; Y52-G161 PolarHBondContact O-N 2.93Å; Y52-R162 WeakPolarHBondContact CD2-O 3.31Å; Y52-R162 WeakPolarHBondContact CE2-O 3.43Å; Y52-K164 HydrophobicContact CD1-CG 3.79Å; Y52-K164 HydrophobicContact CD2-CG 4.33Å; Y52-K164 HydrophobicContact CE1-CD 4.39Å; Y52-K164 HydrophobicContact CE1-CG 3.85Å; Y52-K164 HydrophobicContact CE2-CG 4.39Å; Y52-K164 HydrophobicContact CG-CG 4.03Å; Y52-I198 HydrophobicContact CD1-CD1 3.97Å; Y52-I198 HydrophobicContact CE1-CB 4.3Å; Y52-I198 HydrophobicContact CE1-CD1 3.96Å; Y52-I198 HydrophobicContact CE1-CG1 4.06Å; Y52-D199 WeakPolarHBondContact CE1-OD1 3.46Å; Y52-D199 PolarHBondContact OH-OD1 3.31Å
53	V	98.8	Very high	98	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	93.5	174.4	176.7	0	0	0	0	109.5	L56 Y72 T158 Y160 P191	V53-L56 HydrophobicContact CG1-CD1 4.46Å; V53-Y72 HydrophobicContact CB-CD1 4.15Å; V53-Y72 HydrophobicContact CB-CD2 4.36Å; V53-Y72 HydrophobicContact CB-CE1 3.92Å; V53-Y72 HydrophobicContact CB-CE2 4.17Å; V53-Y72 HydrophobicContact CB-CG 4.35Å; V53-Y72 WeakPolarHBondContact CB-O 3.38Å; V53-Y72 HydrophobicContact CG1-CD1 4.39Å; V53-Y72 HydrophobicContact CG1-CE1 3.75Å; V53-Y72 HydrophobicContact CG2-CD1 4.45Å; V53-Y72 HydrophobicContact CG2-CD2 3.83Å; V53-Y72 HydrophobicContact CG2-CE1 4.11Å; V53-Y72 HydrophobicContact CG2-CE2 3.46Å; V53-Y72 VanDerWaalsContact CG2-CE2 3.46Å; V53-Y72 HydrophobicContact CG2-CG 4.31Å; V53-Y72 PolarHBondContact N-O 2.97Å; V53-T158 HydrophobicContact CB-CG2 4.26Å; V53-T158 HydrophobicContact CG1-CG2 3.73Å; V53-T158 HydrophobicContact CG2-CG2 3.73Å; V53-Y160 HydrophobicContact CG2-CD1 3.87Å; V53-Y160 HydrophobicContact CG2-CE1 3.46Å; V53-Y160 VanDerWaalsContact CG2-CE1 3.46Å; V53-P191 HydrophobicContact CG1-CG 4.42Å
54	V	98.8	Very high	97.7	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-29	-176.9	178.9	0	0	0	0	111.7	Y52 M71 L159 L166 F190 P191	Y52-V54 PolarHBondContact O-N 2.92Å; V54-M71 HydrophobicContact CG2-CE 4.48Å; V54-L159 HydrophobicContact CG1-CD2 4.48Å; V54-L159 PolarHBondContact N-O 2.83Å; V54-L166 HydrophobicContact CB-CD1 3.98Å; V54-L166 HydrophobicContact CB-CG 4.4Å; V54-L166 HydrophobicContact CG1-CB 4.21Å; V54-L166 HydrophobicContact CG1-CD1 3.91Å; V54-L166 HydrophobicContact CG1-CG 4.04Å; V54-L166 HydrophobicContact CG2-CD1 4.11Å; V54-L166 HydrophobicContact CG2-CG 4.18Å; V54-F190 WeakPolarHBondContact O-CD1 3.35Å; V54-P191 VanDerWaalsContact O-CD 3.31Å; V54-P191 WeakPolarHBondContact O-CD 3.48Å
55	G	98.8	Very high	97.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	148.8	176.1	0	0	0	0	0	112.2	L159 V189	G55-L159 PolarHBondContact N-O 3.1Å; G55-L159 VanDerWaalsContact N-O 3.09Å; G55-L159 PolarHBondContact O-N 2.8Å; G55-V189 WeakPolarHBondContact CA-O 3.29Å
56	L	98.6	Very high	96.8	Very high	7 Å²	7	52 Å²	52	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.6	-178.5	-166.8	70.1	0	0	0	109.4	V53 I61 K156 V189	V53-L56 HydrophobicContact CG1-CD1 4.46Å; L56-I61 HydrophobicContact CD2-CD1 3.55Å; L56-I61 HydrophobicContact CD2-CG1 4.22Å; L56-I61 HydrophobicContact CD2-CG2 4.46Å; L56-I61 HydrophobicContact CG-CD1 3.98Å; L56-I61 HydrophobicContact CG-CG1 4.13Å; L56-K156 HydrophobicContact CD1-CD 3.98Å; L56-V189 HydrophobicContact CB-CG2 3.74Å; L56-V189 HydrophobicContact CD2-CG2 4.47Å; L56-V189 PolarHBondContact N-O 3.04Å; L56-V189 WeakPolarHBondContact O-CG2 3.39Å; L56-V189 PolarHBondContact O-N 2.99Å
57	A	98.8	Very high	96.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.4	177.1	0	0	0	0	0	109.7	K156 I157 F174 S178 L183 H187 I188	A57-K156 CarbonylContact O-C 3.51Å; A57-K156 WeakPolarHBondContact O-CA 3.32Å; A57-K156 WeakPolarHBondContact O-CB 3.46Å; A57-I157 HydrophobicContact CB-CD1 4.34Å; A57-I157 PolarHBondContact N-O 2.95Å; A57-I157 PolarHBondContact O-N 2.87Å; A57-F174 HydrophobicContact CB-CE1 4.25Å; A57-F174 HydrophobicContact CB-CE2 4.39Å; A57-F174 HydrophobicContact CB-CZ 3.66Å; A57-S178 WeakPolarHBondContact CB-OG 3.46Å; A57-L183 HydrophobicContact CB-CD1 3.72Å; A57-H187 WeakPolarHBondContact CA-O 3.3Å; A57-I188 HydrophobicContact CB-CB 4.36Å; A57-I188 HydrophobicContact CB-CG1 3.94Å; A57-I188 HydrophobicContact CB-CG2 4.32Å
58	G	98.6	Very high	96	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.5	166.4	177.8	0	0	0	0	0	114.3	A60 I61 F155 H187	G58-A60 PolarHBondContact O-N 2.87Å; G58-I61 PolarHBondContact O-N 2.81Å; G58-F155 WeakPolarHBondContact CA-O 3.43Å; G58-H187 PolarHBondContact N-O 2.93Å; G58-H187 PolarHBondContact O-ND1 3.38Å
59	N	98.1	Very high	95.8	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.3	-176.3	66.5	-9.9	0	0	0	114.3	I28 E153 Y154 F155	I28-N59 HydrophobicContact CB-CB 3.88Å; I28-N59 VanDerWaalsContact O-CB 3.31Å; I28-N59 WeakPolarHBondContact O-CB 3.46Å; I28-N59 PolarHBondContact O-ND2 2.76Å; N59-E153 PolarHBondContact ND2-O 2.63Å; N59-Y154 WeakPolarHBondContact OD1-CA 3.37Å; N59-F155 HydrophobicContact CB-CD1 3.98Å; N59-F155 HydrophobicContact CB-CE1 3.65Å; N59-F155 HydrophobicContact CB-CZ 4.42Å; N59-F155 PolarHBondContact N-O 2.89Å; N59-F155 PolarHBondContact OD1-N 2.73Å; N59-F155 PolarHBondContact OD1-O 2.84Å
60	A	97.2	Very high	95.7	Very high	63 Å²	63	56.3 Å²	56.3	52%	0.521	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	21.2	171.2	0	0	0	0	0	112.7	L27 G58 Y154	L27-A60 HydrophobicContact CD2-CB 4.49Å; G58-A60 PolarHBondContact O-N 2.87Å; A60-Y154 HydrophobicContact CB-CD1 3.74Å; A60-Y154 HydrophobicContact CB-CE1 4.08Å
61	I	96.8	Very high	95.7	Very high	32 Å²	32	53.5 Å²	53.5	16%	0.164	27%	0.267	C	S	.	.			trans	-104.8	130.8	172.2	-56.9	-56.4	0	0	0	107.4	L56 G58 H187 V189	L56-I61 HydrophobicContact CD2-CD1 3.55Å; L56-I61 HydrophobicContact CD2-CG1 4.22Å; L56-I61 HydrophobicContact CD2-CG2 4.46Å; L56-I61 HydrophobicContact CG-CD1 3.98Å; L56-I61 HydrophobicContact CG-CG1 4.13Å; G58-I61 PolarHBondContact O-N 2.81Å; I61-H187 WeakPolarHBondContact O-CA 3.34Å; I61-H187 VanDerWaalsContact O-CG 3.27Å; I61-H187 PolarHBondContact O-ND1 3.4Å; I61-V189 HydrophobicContact CG2-CG1 4.05Å; I61-V189 HydrophobicContact CG2-CG2 3.78Å
62	L	94.7	Very high	95.7	Very high	101 Å²	101	54.3 Å²	54.3	53%	0.529	27%	0.27	S	S	.	.			trans	-131.3	138.3	175.2	-73.3	170	0	0	0	109.1	E64 N186 H187	L62-E64 PolarHBondContact O-N 2.81Å; L62-N186 CarbonylContact C-O 3.58Å; L62-N186 WeakPolarHBondContact CA-O 3.5Å; L62-H187 WeakPolarHBondContact CD2-NE2 3.5Å
63	R	92.9	Very high	95.7	Very high	125 Å²	125	53 Å²	53	47%	0.472	27%	0.265	S	S	.	.			trans	-71.8	121.9	172	-171.9	170.6	71.1	-157	2.6	109.1	D65 N186 V189	R63-D65 IonicContact NE-OD1 2.61Å; R63-N186 PolarHBondContact N-O 3.04Å; R63-V189 HydrophobicContact CB-CG1 3.84Å; R63-V189 HydrophobicContact CG-CG1 4.25Å
64	E	91.6	Very high	95.7	Very high	119 Å²	119	53 Å²	53	56%	0.556	27%	0.265	S	S	*	.			trans	-114	115	174.6	-66.6	-171.6	-161.5	0	0	109.5	L62 P68	L62-E64 PolarHBondContact O-N 2.81Å; E64-P68 WeakPolarHBondContact O-CA 3.45Å
65	D	87.6	Confident	95.7	Very high	133 Å²	133	55 Å²	55	71%	0.711	28%	0.276	S	S	*	.	S	Bend	trans	-76.9	-25.6	-177.2	-59.5	-32.7	0	0	0	112.2	R63	R63-D65 IonicContact NE-OD1 2.61Å
66	K	89.6	Confident	95.7	Very high	211 Å²	211	55.2 Å²	55.2	92%	0.917	28%	0.276	S	S	*	.	S	Bend	trans	-84.8	-28.7	-177.8	-68.4	-175.9	179.1	178.5	0	113.9
67	D	90	Very high	95.7	Very high	93 Å²	93	59.4 Å²	59.4	50%	0.497	30%	0.296	S	S	.	.	S	Bend	trans	-136.3	75	177.3	-170.4	15.1	0	0	0	109	Q69	D67-Q69 PolarHBondContact O-N 3.11Å
68	P	92	Very high	95.7	Very high	60 Å²	60	61.1 Å²	61.1	39%	0.39	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-59	135.5	-176.6	-24.3	34.6	0	0	0	111.5	E64 K70 V192	E64-P68 WeakPolarHBondContact O-CA 3.45Å; P68-K70 PolarHBondContact O-N 2.94Å; P68-V192 HydrophobicContact CB-CG2 3.79Å
69	Q	94.7	Very high	95.7	Very high	93 Å²	93	64.9 Å²	64.9	44%	0.435	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-53.2	126.3	175.9	178.6	62.6	57.8	0	0	110.5	D67 P191 V192	D67-Q69 PolarHBondContact O-N 3.11Å; Q69-P191 HydrophobicContact CG-CB 4.12Å; Q69-P191 HydrophobicContact CG-CG 3.97Å; Q69-P191 CarbonylContact O-C 3.47Å; Q69-P191 WeakPolarHBondContact O-CA 3.47Å; Q69-P191 WeakPolarHBondContact O-CB 3.42Å; Q69-V192 PolarHBondContact O-N 3.48Å
70	K	96.5	Very high	95.7	Very high	45 Å²	45	74 Å²	74	20%	0.196	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-81.8	144.7	174.6	-60.5	-173.9	-176.3	-162.4	0	111.1	P68 F91 E93 I194	P68-K70 PolarHBondContact O-N 2.94Å; K70-F91 HydrophobicContact CD-CD1 4.29Å; K70-E93 IonicContact NZ-OE1 2.7Å; K70-E93 PolarHBondContact NZ-OE1 3.4Å; K70-E93 IonicContact NZ-OE2 2.75Å; K70-E93 PolarHBondContact NZ-OE2 2.93Å; K70-I194 HydrophobicContact CB-CD1 4.26Å; K70-I194 HydrophobicContact CB-CG2 4.33Å; K70-I194 HydrophobicContact CD-CG2 4.32Å; K70-I194 HydrophobicContact CG-CG2 4.42Å
71	M	98.3	Very high	95.7	Very high	3 Å²	3	76.2 Å²	76.2	2%	0.015	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-60.8	141.2	175.1	-174.4	170.1	-66.5	0	0	110.5	Y52 V54 K164 P191 V192 P193 I194 I198	Y52-M71 HydrophobicContact CD1-SD 3.96Å; Y52-M71 HydrophobicContact CG-SD 4.27Å; V54-M71 HydrophobicContact CG2-CE 4.48Å; M71-K164 HydrophobicContact CE-CB 4.22Å; M71-K164 WeakPolarHBondContact CE-O 3.16Å; M71-K164 HydrophobicContact SD-CB 3.76Å; M71-K164 HydrophobicContact SD-CD 4.27Å; M71-K164 HydrophobicContact SD-CG 3.77Å; M71-P191 HydrophobicContact CB-CB 4.13Å; M71-V192 VanDerWaalsContact CB-O 3.23Å; M71-V192 WeakPolarHBondContact CB-O 3.3Å; M71-V192 PolarHBondContact N-O 3.34Å; M71-P193 HydrophobicContact CE-CB 4.3Å; M71-P193 HydrophobicContact CE-CG 3.92Å; M71-I194 WeakPolarHBondContact O-CD1 3.39Å; M71-I198 HydrophobicContact CB-CD1 4.16Å; M71-I198 HydrophobicContact CG-CD1 3.93Å; M71-I198 HydrophobicContact SD-CD1 4.36Å
72	Y	98.4	Very high	95.7	Very high	18 Å²	18	80 Å²	80	7%	0.071	38%	0.382	C	S	.	.			trans	-130.7	159.4	172.3	64.3	-84.9	0	0	0	109.9	V53 V89 L90	V53-Y72 HydrophobicContact CB-CD1 4.15Å; V53-Y72 HydrophobicContact CB-CD2 4.36Å; V53-Y72 HydrophobicContact CB-CE1 3.92Å; V53-Y72 HydrophobicContact CB-CE2 4.17Å; V53-Y72 HydrophobicContact CB-CG 4.35Å; V53-Y72 WeakPolarHBondContact CB-O 3.38Å; V53-Y72 HydrophobicContact CG1-CD1 4.39Å; V53-Y72 HydrophobicContact CG1-CE1 3.75Å; V53-Y72 HydrophobicContact CG2-CD1 4.45Å; V53-Y72 HydrophobicContact CG2-CD2 3.83Å; V53-Y72 HydrophobicContact CG2-CE1 4.11Å; V53-Y72 HydrophobicContact CG2-CE2 3.46Å; V53-Y72 VanDerWaalsContact CG2-CE2 3.46Å; V53-Y72 HydrophobicContact CG2-CG 4.31Å; V53-Y72 PolarHBondContact N-O 2.97Å; Y72-V89 VanDerWaalsContact CB-O 3.27Å; Y72-V89 WeakPolarHBondContact CB-O 3.49Å; Y72-L90 HydrophobicContact CD2-CG 4.36Å; Y72-L90 HydrophobicContact CG-CD2 4.33Å; Y72-L90 HydrophobicContact CG-CG 4.12Å
73	A	98.6	Very high	95.9	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.008	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	154	176.5	0	0	0	0	0	110.8	K50 W51 Y52 S88 V89 I198	K50-A73 HydrophobicContact CD-CB 4.49Å; K50-A73 HydrophobicContact CG-CB 4.25Å; W51-A73 CarbonylContact O-C 3.58Å; W51-A73 WeakPolarHBondContact O-CA 3.42Å; Y52-A73 HydrophobicContact CD1-CB 4.48Å; A73-S88 CarbonylContact O-C 3.51Å; A73-S88 VanDerWaalsContact O-CA 3.3Å; A73-S88 WeakPolarHBondContact O-CA 3.28Å; A73-V89 PolarHBondContact N-O 3.06Å; A73-V89 VanDerWaalsContact N-O 3.14Å; A73-V89 PolarHBondContact O-N 3.33Å; A73-I198 HydrophobicContact CB-CB 4.02Å; A73-I198 HydrophobicContact CB-CG2 4.25Å
74	T	98.7	Very high	96.2	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.2	166.9	-58.7	0	0	0	0	109.2	W51 Y76 V86 T87 S88	W51-T74 PolarHBondContact N-O 2.83Å; W51-T74 PolarHBondContact O-N 2.83Å; T74-Y76 HydrophobicContact CG2-CD2 3.98Å; T74-Y76 HydrophobicContact CG2-CE2 3.43Å; T74-Y76 VanDerWaalsContact CG2-CE2 3.43Å; T74-V86 HydrophobicContact CG2-CG1 3.43Å; T74-V86 VanDerWaalsContact CG2-CG1 3.43Å; T74-T87 CarbonylContact C-O 3.56Å; T74-T87 WeakPolarHBondContact CA-O 3.27Å; T74-S88 PolarHBondContact OG1-OG 2.87Å
75	I	98.8	Very high	96.5	Very high	45 Å²	45	65.5 Å²	65.5	23%	0.231	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.7	179.5	-53.3	169.7	0	0	0	107.5	G49 K50 E77 V86 T87	G49-I75 WeakPolarHBondContact O-CA 3.4Å; K50-I75 HydrophobicContact CB-CG1 4.17Å; K50-I75 HydrophobicContact CG-CG1 4.08Å; I75-E77 HydrophobicContact CG2-CG 4.02Å; I75-V86 VanDerWaalsContact O-CA 3.31Å; I75-V86 WeakPolarHBondContact O-CA 3.41Å; I75-T87 PolarHBondContact N-O 2.96Å; I75-T87 PolarHBondContact O-N 3.39Å
76	Y	98.8	Very high	97	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.5	175.2	-71.2	-102.9	0	0	0	108.8	F47 Q48 G49 W51 T74 Y84 V86 F105 Y160	F47-Y76 HydrophobicContact CD1-CD1 4.44Å; F47-Y76 HydrophobicContact CD1-CG 4.46Å; F47-Y76 HydrophobicContact CE1-CD1 4.16Å; F47-Y76 HydrophobicContact CE1-CD2 4.29Å; F47-Y76 HydrophobicContact CE1-CE1 4.12Å; F47-Y76 HydrophobicContact CE1-CE2 4.24Å; F47-Y76 HydrophobicContact CE1-CG 4.26Å; Q48-Y76 CarbonylContact C-O 3.56Å; Q48-Y76 VanDerWaalsContact CA-O 3.29Å; Q48-Y76 WeakPolarHBondContact CA-O 3.43Å; Q48-Y76 WeakPolarHBondContact CB-O 3.49Å; G49-Y76 PolarHBondContact N-O 3.3Å; G49-Y76 PolarHBondContact O-N 2.87Å; W51-Y76 AromaticContact CD1-CD2 3.88Å; T74-Y76 HydrophobicContact CG2-CD2 3.98Å; T74-Y76 HydrophobicContact CG2-CE2 3.43Å; T74-Y76 VanDerWaalsContact CG2-CE2 3.43Å; Y76-Y84 HydrophobicContact CD1-CD1 4.33Å; Y76-Y84 HydrophobicContact CD1-CD2 4.16Å; Y76-Y84 AromaticContact CD1-CG 4Å; Y76-Y84 HydrophobicContact CD1-CG 4Å; Y76-V86 HydrophobicContact CD1-CG1 4.38Å; Y76-V86 HydrophobicContact CD1-CG2 3.64Å; Y76-V86 HydrophobicContact CE1-CG1 4.11Å; Y76-V86 HydrophobicContact CE1-CG2 3.81Å; Y76-V86 HydrophobicContact CG-CG2 4.37Å; Y76-F105 AromaticContact CE1-CD2 3.73Å; Y76-F105 HydrophobicContact CE1-CD2 3.73Å; Y76-F105 AromaticContact CE1-CE2 3.75Å; Y76-F105 HydrophobicContact CE1-CE2 3.75Å; Y76-Y160 HydrophobicContact CE2-CE2 4.37Å; Y76-Y160 PolarHBondContact OH-OH 3.33Å; Y76-Y160 VanDerWaalsContact OH-OH 3.08Å
77	E	98.8	Very high	97.5	Very high	95 Å²	95	50 Å²	50	44%	0.444	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.2	178.5	-55.4	171.2	140.8	0	0	108.4	I75 Y84 N85	I75-E77 HydrophobicContact CG2-CG 4.02Å; E77-Y84 CarbonylContact O-C 3.56Å; E77-Y84 VanDerWaalsContact O-CA 3.3Å; E77-Y84 WeakPolarHBondContact O-CA 3.34Å; E77-N85 HydrophobicContact CB-CB 4.19Å; E77-N85 PolarHBondContact N-O 3Å; E77-N85 PolarHBondContact O-N 3.02Å; E77-N85 PolarHBondContact OE2-ND2 2.81Å
78	L	98.7	Very high	97.9	Very high	36 Å²	36	45.8 Å²	45.8	19%	0.188	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130	-178.4	-174.8	63.1	0	0	0	109.4	D44 N45 Y84	D44-L78 HydrophobicContact CB-CD1 4.12Å; D44-L78 HydrophobicContact CB-CD2 4.15Å; N45-L78 HydrophobicContact CB-CD2 4.2Å; L78-Y84 HydrophobicContact CB-CD1 4.09Å; L78-Y84 HydrophobicContact CB-CE1 3.73Å; L78-Y84 HydrophobicContact CD1-CD1 4.21Å; L78-Y84 HydrophobicContact CD1-CE1 3.85Å; L78-Y84 HydrophobicContact CG-CE1 4.36Å
79	K	98.5	Very high	98.1	Very high	79 Å²	79	43.2 Å²	43.2	34%	0.343	21%	0.207	S	C	.	.			trans	-96.1	165.3	174.9	-58.9	-171.1	-162.9	167.8	0	111	D81 K82 S83	K79-D81 VanDerWaalsContact CB-OD1 3.3Å; K79-D81 WeakPolarHBondContact CB-OD1 3.36Å; K79-D81 PolarHBondContact O-N 2.92Å; K79-K82 PolarHBondContact O-N 2.85Å; K79-S83 WeakPolarHBondContact CB-O 3.47Å; K79-S83 WeakPolarHBondContact CD-OG 3.17Å; K79-S83 PolarHBondContact N-O 2.78Å
80	E	97.6	Very high	98.2	Very high	199 Å²	199	40.7 Å²	40.7	93%	0.93	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.4	176.8	-64.9	-179.2	175.3	0	0	112.6	K82	E80-K82 PolarHBondContact O-N 2.99Å
81	D	97.3	Very high	98.2	Very high	108 Å²	108	39.8 Å²	39.8	58%	0.578	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	9.4	178.2	73.5	-7	0	0	0	114.2	K79 S83	K79-D81 VanDerWaalsContact CB-OD1 3.3Å; K79-D81 WeakPolarHBondContact CB-OD1 3.36Å; K79-D81 PolarHBondContact O-N 2.92Å; D81-S83 PolarHBondContact O-N 2.83Å; D81-S83 WeakPolarHBondContact OD1-CB 3.43Å; D81-S83 PolarHBondContact OD1-N 2.89Å; D81-S83 PolarHBondContact OD1-OG 3.38Å; D81-S83 PolarHBondContact OD2-OG 3.18Å
82	K	97.6	Very high	97.9	Very high	112 Å²	112	45.7 Å²	45.7	49%	0.487	21%	0.214	S	C	.	.	S	Bend	trans	67.3	5.2	-177.3	-52.8	-55.8	-164.9	164.9	0	115.5	D44 K79 E80 P107	D44-K82 IonicContact OD2-NZ 3.41Å; D44-K82 PolarHBondContact OD2-NZ 2.95Å; K79-K82 PolarHBondContact O-N 2.85Å; E80-K82 PolarHBondContact O-N 2.99Å; K82-P107 HydrophobicContact CB-CG 4.13Å; K82-P107 WeakPolarHBondContact O-CG 3.4Å
83	S	98.6	Very high	97.5	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.014	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-78.4	161	167.3	75.5	0	0	0	0	111.6	K79 D81 F105	K79-S83 WeakPolarHBondContact CB-O 3.47Å; K79-S83 WeakPolarHBondContact CD-OG 3.17Å; K79-S83 PolarHBondContact N-O 2.78Å; D81-S83 PolarHBondContact O-N 2.83Å; D81-S83 WeakPolarHBondContact OD1-CB 3.43Å; D81-S83 PolarHBondContact OD1-N 2.89Å; D81-S83 PolarHBondContact OD1-OG 3.38Å; D81-S83 PolarHBondContact OD2-OG 3.18Å; S83-F105 CarbonylContact C-O 3.57Å; S83-F105 VanDerWaalsContact CA-O 3.31Å; S83-F105 WeakPolarHBondContact CA-O 3.4Å; S83-F105 VanDerWaalsContact CB-O 3.31Å; S83-F105 WeakPolarHBondContact CB-O 3.47Å
84	Y	98.9	Very high	97.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.7	167.5	-71.7	-73.2	0	0	0	111.1	D44 Q48 Y76 E77 L78 T104 F105 F114	D44-Y84 WeakPolarHBondContact CA-OH 3.2Å; D44-Y84 WeakPolarHBondContact CB-OH 3.31Å; D44-Y84 PolarHBondContact O-OH 2.88Å; Q48-Y84 HydrophobicContact CB-CE1 4.19Å; Y76-Y84 HydrophobicContact CD1-CD1 4.33Å; Y76-Y84 HydrophobicContact CD1-CD2 4.16Å; Y76-Y84 AromaticContact CD1-CG 4Å; Y76-Y84 HydrophobicContact CD1-CG 4Å; E77-Y84 CarbonylContact O-C 3.56Å; E77-Y84 VanDerWaalsContact O-CA 3.3Å; E77-Y84 WeakPolarHBondContact O-CA 3.34Å; L78-Y84 HydrophobicContact CB-CD1 4.09Å; L78-Y84 HydrophobicContact CB-CE1 3.73Å; L78-Y84 HydrophobicContact CD1-CD1 4.21Å; L78-Y84 HydrophobicContact CD1-CE1 3.85Å; L78-Y84 HydrophobicContact CG-CE1 4.36Å; Y84-T104 CarbonylContact O-C 3.57Å; Y84-T104 VanDerWaalsContact O-CA 3.28Å; Y84-T104 WeakPolarHBondContact O-CA 3.33Å; Y84-F105 PolarHBondContact N-O 2.76Å; Y84-F105 PolarHBondContact O-N 2.78Å; Y84-F114 HydrophobicContact CD2-CD1 4.3Å; Y84-F114 AromaticContact CD2-CE1 3.72Å; Y84-F114 HydrophobicContact CD2-CE1 3.72Å; Y84-F114 AromaticContact CD2-CZ 3.95Å; Y84-F114 HydrophobicContact CD2-CZ 3.95Å; Y84-F114 AromaticContact CE2-CE1 3.72Å; Y84-F114 HydrophobicContact CE2-CE1 3.72Å; Y84-F114 HydrophobicContact CE2-CE2 4.34Å; Y84-F114 AromaticContact CE2-CZ 3.54Å; Y84-F114 HydrophobicContact CE2-CZ 3.54Å
85	N	98.7	Very high	96.8	Very high	39 Å²	39	62.2 Å²	62.2	21%	0.209	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.5	150.9	-163	37.4	0	0	0	107.9	E77 I102	E77-N85 HydrophobicContact CB-CB 4.19Å; E77-N85 PolarHBondContact N-O 3Å; E77-N85 PolarHBondContact O-N 3.02Å; E77-N85 PolarHBondContact OE2-ND2 2.81Å; N85-I102 WeakPolarHBondContact OD1-CG2 3.49Å
86	V	98.7	Very high	96.5	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.4	-175.1	-176.3	0	0	0	0	109.4	T74 I75 Y76 I102 R103 F105	T74-V86 HydrophobicContact CG2-CG1 3.43Å; T74-V86 VanDerWaalsContact CG2-CG1 3.43Å; I75-V86 VanDerWaalsContact O-CA 3.31Å; I75-V86 WeakPolarHBondContact O-CA 3.41Å; Y76-V86 HydrophobicContact CD1-CG1 4.38Å; Y76-V86 HydrophobicContact CD1-CG2 3.64Å; Y76-V86 HydrophobicContact CE1-CG1 4.11Å; Y76-V86 HydrophobicContact CE1-CG2 3.81Å; Y76-V86 HydrophobicContact CG-CG2 4.37Å; V86-I102 CarbonylContact O-C 3.52Å; V86-I102 WeakPolarHBondContact O-CA 3.39Å; V86-R103 WeakPolarHBondContact CA-O 3.49Å; V86-R103 HydrophobicContact CB-CG 3.94Å; V86-R103 HydrophobicContact CG1-CG 4.34Å; V86-R103 PolarHBondContact N-O 2.77Å; V86-R103 PolarHBondContact O-N 3.08Å; V86-F105 HydrophobicContact CG1-CE2 4.32Å; V86-F105 HydrophobicContact CG1-CZ 4.47Å; V86-F105 HydrophobicContact CG2-CB 4.09Å; V86-F105 HydrophobicContact CG2-CD1 4.32Å; V86-F105 HydrophobicContact CG2-CD2 3.67Å; V86-F105 HydrophobicContact CG2-CE2 4.1Å; V86-F105 HydrophobicContact CG2-CG 3.76Å
87	T	98.7	Very high	96.3	Very high	18 Å²	18	72.8 Å²	72.8	11%	0.11	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112.8	179.5	-59.9	0	0	0	0	109.2	T74 I75 V89 Y100 I102	T74-T87 CarbonylContact C-O 3.56Å; T74-T87 WeakPolarHBondContact CA-O 3.27Å; I75-T87 PolarHBondContact N-O 2.96Å; I75-T87 PolarHBondContact O-N 3.39Å; T87-V89 HydrophobicContact CG2-CG2 4.04Å; T87-Y100 HydrophobicContact CG2-CD1 4.19Å; T87-I102 HydrophobicContact CG2-CG1 4.16Å
88	S	98.2	Very high	96.2	Very high	4 Å²	4	70.7 Å²	70.7	3%	0.028	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.7	167.3	-64.6	0	0	0	0	110.2	A73 T74 Y100 W101 R103	A73-S88 CarbonylContact O-C 3.51Å; A73-S88 VanDerWaalsContact O-CA 3.3Å; A73-S88 WeakPolarHBondContact O-CA 3.28Å; T74-S88 PolarHBondContact OG1-OG 2.87Å; S88-Y100 WeakPolarHBondContact O-CA 3.47Å; S88-W101 PolarHBondContact N-O 2.64Å; S88-W101 PolarHBondContact O-N 3.11Å; S88-R103 PolarHBondContact OG-NH1 2.81Å; S88-R103 PolarHBondContact OG-NH2 2.71Å
89	V	98	Very high	96.1	Very high	7 Å²	7	71.2 Å²	71.2	4%	0.042	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.7	-178.5	-170.1	0	0	0	0	109.2	Y72 A73 T87 D99 Y100 C197	Y72-V89 VanDerWaalsContact CB-O 3.27Å; Y72-V89 WeakPolarHBondContact CB-O 3.49Å; A73-V89 PolarHBondContact N-O 3.06Å; A73-V89 VanDerWaalsContact N-O 3.14Å; A73-V89 PolarHBondContact O-N 3.33Å; T87-V89 HydrophobicContact CG2-CG2 4.04Å; V89-D99 WeakPolarHBondContact CA-O 3.48Å; V89-Y100 HydrophobicContact CB-CD1 4.42Å; V89-Y100 HydrophobicContact CB-CE1 4.34Å; V89-Y100 HydrophobicContact CG1-CD1 4.07Å; V89-Y100 HydrophobicContact CG1-CE1 3.65Å; V89-Y100 HydrophobicContact CG2-CD1 3.74Å; V89-Y100 HydrophobicContact CG2-CE1 3.78Å; V89-C197 HydrophobicContact CG1-CB 3.92Å; V89-C197 VanDerWaalsContact CG1-O 3.32Å; V89-C197 WeakPolarHBondContact CG1-O 3.47Å
90	L	96.9	Very high	96	Very high	40 Å²	40	74.3 Å²	74.3	21%	0.209	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.6	-175.4	-58.3	87.8	0	0	0	110.4	Y72 C98 D99 W101	Y72-L90 HydrophobicContact CD2-CG 4.36Å; Y72-L90 HydrophobicContact CG-CD2 4.33Å; Y72-L90 HydrophobicContact CG-CG 4.12Å; L90-C98 WeakPolarHBondContact O-CA 3.42Å; L90-D99 HydrophobicContact CB-CB 4.43Å; L90-D99 PolarHBondContact N-O 2.87Å; L90-D99 PolarHBondContact O-N 3.44Å; L90-W101 HydrophobicContact CD1-CG 4.48Å
91	F	96.3	Very high	96	Very high	26 Å²	26	72 Å²	72	11%	0.114	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.6	172.4	178.1	-124.5	0	0	0	111.5	K70 E93 I194 Q196 C197	K70-F91 HydrophobicContact CD-CD1 4.29Å; F91-E93 HydrophobicContact CD1-CB 4.44Å; F91-E93 HydrophobicContact CE1-CB 3.92Å; F91-E93 HydrophobicContact CE1-CG 4.42Å; F91-E93 HydrophobicContact CZ-CB 4.46Å; F91-I194 HydrophobicContact CB-CD1 3.44Å; F91-I194 VanDerWaalsContact CB-CD1 3.44Å; F91-I194 HydrophobicContact CD1-CD1 4Å; F91-I194 HydrophobicContact CG-CD1 4.1Å; F91-Q196 HydrophobicContact CB-CB 4.48Å; F91-Q196 HydrophobicContact CD1-CB 4.19Å; F91-Q196 HydrophobicContact CD2-CB 3.81Å; F91-Q196 HydrophobicContact CE1-CB 4.36Å; F91-Q196 HydrophobicContact CE1-CG 4.39Å; F91-Q196 HydrophobicContact CE2-CB 3.99Å; F91-Q196 HydrophobicContact CE2-CG 4.28Å; F91-Q196 HydrophobicContact CG-CB 3.91Å; F91-Q196 HydrophobicContact CZ-CB 4.26Å; F91-Q196 HydrophobicContact CZ-CG 4.18Å; F91-C197 HydrophobicContact CB-CB 4.49Å
92	R	92.3	Very high	95.9	Very high	126 Å²	126	72 Å²	72	48%	0.475	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	94.4	173.1	-67.6	-65.6	-168.3	178.4	1.7	109.8	K94 A95 Q96 K97 D99	R92-K94 PolarHBondContact O-N 3.34Å; R92-A95 HydrophobicContact CB-CB 4.25Å; R92-A95 CarbonylContact O-C 3.56Å; R92-A95 PolarHBondContact O-N 2.96Å; R92-A95 VanDerWaalsContact O-N 3.17Å; R92-Q96 WeakPolarHBondContact O-CA 3.48Å; R92-Q96 PolarHBondContact O-N 2.86Å; R92-K97 PolarHBondContact N-O 2.87Å; R92-K97 PolarHBondContact O-N 2.86Å; R92-D99 HydrophobicContact CG-CB 4.4Å; R92-D99 WeakPolarHBondContact CG-OD2 3.36Å; R92-D99 IonicContact CZ-OD2 3.3Å; R92-D99 IonicContact NE-OD2 3.47Å; R92-D99 PolarHBondContact NE-OD2 3.27Å; R92-D99 IonicContact NH2-OD2 3.86Å; R92-D99 PolarHBondContact NH2-OD2 3.4Å
93	E	88.8	Confident	95.9	Very high	98 Å²	98	68.5 Å²	68.5	46%	0.458	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-56.3	-48.5	-175.9	177.5	170.2	-115.1	0	0	113.7	K70 F91 A95 Q96	K70-E93 IonicContact NZ-OE1 2.7Å; K70-E93 PolarHBondContact NZ-OE1 3.4Å; K70-E93 IonicContact NZ-OE2 2.75Å; K70-E93 PolarHBondContact NZ-OE2 2.93Å; F91-E93 HydrophobicContact CD1-CB 4.44Å; F91-E93 HydrophobicContact CE1-CB 3.92Å; F91-E93 HydrophobicContact CE1-CG 4.42Å; F91-E93 HydrophobicContact CZ-CB 4.46Å; E93-A95 PolarHBondContact O-N 3.29Å; E93-A95 VanDerWaalsContact O-N 3.16Å; E93-Q96 PolarHBondContact O-N 3.45Å; E93-Q96 PolarHBondContact O-NE2 3.23Å
94	K	90	Very high	95.9	Very high	211 Å²	211	70.1 Å²	70.1	92%	0.917	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-59.4	-33	-178.5	-66.2	-175.5	-178.4	177.4	0	113	R92	R92-K94 PolarHBondContact O-N 3.34Å
95	A	92.1	Very high	95.9	Very high	58 Å²	58	70.1 Å²	70.1	48%	0.479	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-95.7	-7.7	-179.8	0	0	0	0	0	113.3	R92 E93 K97	R92-A95 HydrophobicContact CB-CB 4.25Å; R92-A95 CarbonylContact O-C 3.56Å; R92-A95 PolarHBondContact O-N 2.96Å; R92-A95 VanDerWaalsContact O-N 3.17Å; E93-A95 PolarHBondContact O-N 3.29Å; E93-A95 VanDerWaalsContact O-N 3.16Å; A95-K97 VanDerWaalsContact C-N 3.26Å; A95-K97 HydrophobicContact CB-CB 4.35Å; A95-K97 HydrophobicContact CB-CD 4.41Å; A95-K97 WeakPolarHBondContact O-CG 3.37Å; A95-K97 PolarHBondContact O-N 3.2Å
96	Q	93	Very high	95.9	Very high	133 Å²	133	71 Å²	71	62%	0.621	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	46	-171.3	-63.4	-67.6	-48.6	0	0	112.5	R92 E93	R92-Q96 WeakPolarHBondContact O-CA 3.48Å; R92-Q96 PolarHBondContact O-N 2.86Å; E93-Q96 PolarHBondContact O-N 3.45Å; E93-Q96 PolarHBondContact O-NE2 3.23Å
97	K	95.4	Very high	95.9	Very high	138 Å²	138	73.7 Å²	73.7	60%	0.6	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	157.5	-174.7	-77.7	175.3	-174.1	-175.6	0	112.9	R92 A95	R92-K97 PolarHBondContact N-O 2.87Å; R92-K97 PolarHBondContact O-N 2.86Å; A95-K97 VanDerWaalsContact C-N 3.26Å; A95-K97 HydrophobicContact CB-CB 4.35Å; A95-K97 HydrophobicContact CB-CD 4.41Å; A95-K97 WeakPolarHBondContact O-CG 3.37Å; A95-K97 PolarHBondContact O-N 3.2Å
98	C	96.7	Very high	95.8	Very high	51 Å²	51	74.6 Å²	74.6	35%	0.345	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122	172.8	-51.8	0	0	0	0	110.2	L90 Y100 C197	L90-C98 WeakPolarHBondContact O-CA 3.42Å; C98-Y100 HydrophobicContact CB-CD2 4.48Å; C98-Y100 HydrophobicContact CB-CE2 3.62Å; C98-C197 WeakPolarHBondContact CA-SG 3.4Å; C98-C197 HydrophobicContact CB-CB 3.63Å; C98-C197 WeakPolarHBondContact CB-SG 3.39Å; C98-C197 VanDerWaalsContact SG-CA 3.57Å; C98-C197 WeakPolarHBondContact SG-CB 3.49Å; C98-C197 CovalentContact SG-SG 2.02Å; C98-C197 PolarHBondContact SG-SG 2.92Å
99	D	96.1	Very high	95.6	Very high	47 Å²	47	80.2 Å²	80.2	25%	0.251	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.9	173.2	-81.4	7	0	0	0	109.7	V89 L90 R92	V89-D99 WeakPolarHBondContact CA-O 3.48Å; L90-D99 HydrophobicContact CB-CB 4.43Å; L90-D99 PolarHBondContact N-O 2.87Å; L90-D99 PolarHBondContact O-N 3.44Å; R92-D99 HydrophobicContact CG-CB 4.4Å; R92-D99 WeakPolarHBondContact CG-OD2 3.36Å; R92-D99 IonicContact CZ-OD2 3.3Å; R92-D99 IonicContact NE-OD2 3.47Å; R92-D99 PolarHBondContact NE-OD2 3.27Å; R92-D99 IonicContact NH2-OD2 3.86Å; R92-D99 PolarHBondContact NH2-OD2 3.4Å
100	Y	96.8	Very high	95.6	Very high	143 Å²	143	85 Å²	85	56%	0.561	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	122.5	178.4	-61.6	-93.7	0	0	0	110.2	T87 S88 V89 C98	T87-Y100 HydrophobicContact CG2-CD1 4.19Å; S88-Y100 WeakPolarHBondContact O-CA 3.47Å; V89-Y100 HydrophobicContact CB-CD1 4.42Å; V89-Y100 HydrophobicContact CB-CE1 4.34Å; V89-Y100 HydrophobicContact CG1-CD1 4.07Å; V89-Y100 HydrophobicContact CG1-CE1 3.65Å; V89-Y100 HydrophobicContact CG2-CD1 3.74Å; V89-Y100 HydrophobicContact CG2-CE1 3.78Å; C98-Y100 HydrophobicContact CB-CD2 4.48Å; C98-Y100 HydrophobicContact CB-CE2 3.62Å
101	W	96.1	Very high	95.7	Very high	150 Å²	150	87.3 Å²	87.3	57%	0.568	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	98.6	179.4	-74.1	62.9	0	0	0	109.4	S88 L90	S88-W101 PolarHBondContact N-O 2.64Å; S88-W101 PolarHBondContact O-N 3.11Å; L90-W101 HydrophobicContact CD1-CG 4.48Å
102	I	97.1	Very high	95.8	Very high	109 Å²	109	86.1 Å²	86.1	56%	0.559	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	133	-178.2	-52.5	175.6	0	0	0	109.4	N85 V86 T87	N85-I102 WeakPolarHBondContact OD1-CG2 3.49Å; V86-I102 CarbonylContact O-C 3.52Å; V86-I102 WeakPolarHBondContact O-CA 3.39Å; T87-I102 HydrophobicContact CG2-CG1 4.16Å
103	R	97.6	Very high	96.1	Very high	38 Å²	38	81 Å²	81	14%	0.143	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.6	178.1	58.7	-159.9	-179.4	-104.1	0.2	110.2	V86 S88 F105 L116	V86-R103 WeakPolarHBondContact CA-O 3.49Å; V86-R103 HydrophobicContact CB-CG 3.94Å; V86-R103 HydrophobicContact CG1-CG 4.34Å; V86-R103 PolarHBondContact N-O 2.77Å; V86-R103 PolarHBondContact O-N 3.08Å; S88-R103 PolarHBondContact OG-NH1 2.81Å; S88-R103 PolarHBondContact OG-NH2 2.71Å; R103-F105 HydrophobicContact CG-CD1 4.37Å; R103-F105 HydrophobicContact CG-CE1 3.95Å; R103-L116 HydrophobicContact CB-CD1 3.78Å; R103-L116 HydrophobicContact CG-CD1 4.3Å
104	T	98.5	Very high	96.5	Very high	36 Å²	36	76.9 Å²	76.9	22%	0.221	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.5	174	-61.7	0	0	0	0	109.5	Y84 V106 G117	Y84-T104 CarbonylContact O-C 3.57Å; Y84-T104 VanDerWaalsContact O-CA 3.28Å; Y84-T104 WeakPolarHBondContact O-CA 3.33Å; T104-V106 HydrophobicContact CG2-CG2 4.03Å; T104-G117 PolarHBondContact O-N 2.88Å
105	F	98.8	Very high	96.9	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.7	168	-74.8	-3	0	0	0	109	Y76 S83 Y84 V86 R103 F114 T115 L116 Y128 V130 F145	Y76-F105 AromaticContact CE1-CD2 3.73Å; Y76-F105 HydrophobicContact CE1-CD2 3.73Å; Y76-F105 AromaticContact CE1-CE2 3.75Å; Y76-F105 HydrophobicContact CE1-CE2 3.75Å; S83-F105 CarbonylContact C-O 3.57Å; S83-F105 VanDerWaalsContact CA-O 3.31Å; S83-F105 WeakPolarHBondContact CA-O 3.4Å; S83-F105 VanDerWaalsContact CB-O 3.31Å; S83-F105 WeakPolarHBondContact CB-O 3.47Å; Y84-F105 PolarHBondContact N-O 2.76Å; Y84-F105 PolarHBondContact O-N 2.78Å; V86-F105 HydrophobicContact CG1-CE2 4.32Å; V86-F105 HydrophobicContact CG1-CZ 4.47Å; V86-F105 HydrophobicContact CG2-CB 4.09Å; V86-F105 HydrophobicContact CG2-CD1 4.32Å; V86-F105 HydrophobicContact CG2-CD2 3.67Å; V86-F105 HydrophobicContact CG2-CE2 4.1Å; V86-F105 HydrophobicContact CG2-CG 3.76Å; R103-F105 HydrophobicContact CG-CD1 4.37Å; R103-F105 HydrophobicContact CG-CE1 3.95Å; F105-F114 HydrophobicContact CB-CB 3.88Å; F105-F114 HydrophobicContact CB-CD1 4.2Å; F105-F114 HydrophobicContact CB-CG 4.14Å; F105-F114 HydrophobicContact CG-CB 4.37Å; F105-T115 WeakPolarHBondContact CA-O 3.5Å; F105-L116 HydrophobicContact CD1-CD1 4.3Å; F105-L116 HydrophobicContact CE1-CD1 4.19Å; F105-Y128 AromaticContact CE1-CE1 3.9Å; F105-Y128 HydrophobicContact CE1-CE1 3.9Å; F105-Y128 HydrophobicContact CZ-CE1 4.17Å; F105-V130 HydrophobicContact CD1-CG2 4.4Å; F105-V130 HydrophobicContact CD2-CG1 4.41Å; F105-V130 HydrophobicContact CD2-CG2 4.01Å; F105-V130 HydrophobicContact CE1-CG2 4.09Å; F105-V130 HydrophobicContact CE2-CB 4.48Å; F105-V130 HydrophobicContact CE2-CG1 4.12Å; F105-V130 HydrophobicContact CE2-CG2 3.71Å; F105-V130 HydrophobicContact CG-CG2 4.37Å; F105-V130 HydrophobicContact CZ-CG2 3.75Å; F105-F145 AromaticContact CE2-CE1 3.96Å; F105-F145 HydrophobicContact CE2-CE1 3.96Å; F105-F145 AromaticContact CZ-CE1 3.87Å; F105-F145 HydrophobicContact CZ-CE1 3.87Å
106	V	98.6	Very high	97.2	Very high	57 Å²	57	67.1 Å²	67.1	35%	0.345	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.9	-178.3	-179.2	0	0	0	0	108.6	T104 G108 F114 T115	T104-V106 HydrophobicContact CG2-CG2 4.03Å; V106-G108 PolarHBondContact O-N 3.01Å; V106-F114 CarbonylContact O-C 3.53Å; V106-F114 WeakPolarHBondContact O-CA 3.45Å; V106-F114 WeakPolarHBondContact O-CB 3.42Å; V106-T115 HydrophobicContact CB-CG2 4.14Å; V106-T115 PolarHBondContact N-O 3.04Å; V106-T115 PolarHBondContact O-N 3.48Å
107	P	98.4	Very high	97.4	Very high	58 Å²	58	61.4 Å²	61.4	38%	0.377	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	137.8	179.5	-28	37	0	0	0	112.9	K82	K82-P107 HydrophobicContact CB-CG 4.13Å; K82-P107 WeakPolarHBondContact O-CG 3.4Å
108	G	96.3	Very high	97.3	Very high	37 Å²	37	61.1 Å²	61.1	38%	0.381	33%	0.334	S	S	.	.			trans	-90.9	-155.8	174.7	0	0	0	0	0	112.8	V106 E113	V106-G108 PolarHBondContact O-N 3.01Å; G108-E113 PolarHBondContact N-O 3.5Å
109	C	94.3	Very high	97.2	Very high	121 Å²	121	60.7 Å²	60.7	82%	0.818	33%	0.328	S	S	*	.	S	Bend	trans	-72.5	-27.4	-177.7	-62.4	0	0	0	0	113.6
110	Q	97.7	Very high	97.1	Very high	109 Å²	109	68.4 Å²	68.4	51%	0.509	36%	0.359	S	S	.	.	S	Bend	trans	-125.2	144.8	-179.2	-62.2	-68.7	-58	0	0	110.5	L38 G112 E113	L38-Q110 HydrophobicContact CD2-CB 3.67Å; L38-Q110 HydrophobicContact CD2-CG 4.31Å; Q110-G112 PolarHBondContact O-N 2.65Å; Q110-E113 HydrophobicContact CB-CG 4.13Å; Q110-E113 WeakPolarHBondContact O-CB 3.34Å; Q110-E113 PolarHBondContact O-N 3.3Å
111	P	98.4	Very high	97	Very high	88 Å²	88	65.5 Å²	65.5	57%	0.571	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	130.8	172	-25.6	35	0	0	0	111.6	F42	F42-P111 HydrophobicContact CB-CB 4.3Å
112	G	98.3	Very high	96.9	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.01	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-1.5	-173.4	0	0	0	0	0	114.1	F42 Q110 V132	F42-G112 VanDerWaalsContact CG-CA 3.5Å; Q110-G112 PolarHBondContact O-N 2.65Å; G112-V132 PolarHBondContact O-N 2.85Å
113	E	98.7	Very high	96.8	Very high	19 Å²	19	63 Å²	63	9%	0.089	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.4	167.1	-57.5	-167.9	136	0	0	112	L38 G108 Q110 V130 R131	L38-E113 HydrophobicContact CD1-CG 3.85Å; L38-E113 HydrophobicContact CD2-CG 4.49Å; G108-E113 PolarHBondContact N-O 3.5Å; Q110-E113 HydrophobicContact CB-CG 4.13Å; Q110-E113 WeakPolarHBondContact O-CB 3.34Å; Q110-E113 PolarHBondContact O-N 3.3Å; E113-V130 CarbonylContact C-O 3.59Å; E113-V130 VanDerWaalsContact CA-O 3.23Å; E113-V130 WeakPolarHBondContact CA-O 3.32Å; E113-R131 HydrophobicContact CG-CG 4.37Å; E113-R131 IonicContact OE1-CZ 2.72Å; E113-R131 IonicContact OE1-NE 2.65Å; E113-R131 PolarHBondContact OE1-NE 2.67Å; E113-R131 IonicContact OE1-NH2 3.04Å; E113-R131 PolarHBondContact OE1-NH2 3.35Å
114	F	98.8	Very high	96.7	Very high	11 Å²	11	63.2 Å²	63.2	5%	0.048	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.4	178	-50.1	-94.9	0	0	0	111.5	F42 Y84 F105 V106 V130 V132	F42-F114 HydrophobicContact CE1-CE2 4.28Å; F42-F114 AromaticContact CE1-CZ 3.85Å; F42-F114 HydrophobicContact CE1-CZ 3.85Å; F42-F114 HydrophobicContact CZ-CE2 4.42Å; F42-F114 HydrophobicContact CZ-CZ 4.31Å; Y84-F114 HydrophobicContact CD2-CD1 4.3Å; Y84-F114 AromaticContact CD2-CE1 3.72Å; Y84-F114 HydrophobicContact CD2-CE1 3.72Å; Y84-F114 AromaticContact CD2-CZ 3.95Å; Y84-F114 HydrophobicContact CD2-CZ 3.95Å; Y84-F114 AromaticContact CE2-CE1 3.72Å; Y84-F114 HydrophobicContact CE2-CE1 3.72Å; Y84-F114 HydrophobicContact CE2-CE2 4.34Å; Y84-F114 AromaticContact CE2-CZ 3.54Å; Y84-F114 HydrophobicContact CE2-CZ 3.54Å; F105-F114 HydrophobicContact CB-CB 3.88Å; F105-F114 HydrophobicContact CB-CD1 4.2Å; F105-F114 HydrophobicContact CB-CG 4.14Å; F105-F114 HydrophobicContact CG-CB 4.37Å; V106-F114 CarbonylContact O-C 3.53Å; V106-F114 WeakPolarHBondContact O-CA 3.45Å; V106-F114 WeakPolarHBondContact O-CB 3.42Å; F114-V130 HydrophobicContact CB-CB 4.04Å; F114-V130 HydrophobicContact CB-CG2 4.39Å; F114-V130 HydrophobicContact CD2-CB 4.37Å; F114-V130 HydrophobicContact CD2-CG1 4.36Å; F114-V130 PolarHBondContact N-O 2.89Å; F114-V130 PolarHBondContact O-N 2.98Å; F114-V132 HydrophobicContact CE2-CG2 4.4Å
115	T	98.4	Very high	96.6	Very high	55 Å²	55	62.7 Å²	62.7	34%	0.337	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	170	165.6	-171.9	0	0	0	0	110.3	F105 V106 Y128	F105-T115 WeakPolarHBondContact CA-O 3.5Å; V106-T115 HydrophobicContact CB-CG2 4.14Å; V106-T115 PolarHBondContact N-O 3.04Å; V106-T115 PolarHBondContact O-N 3.48Å; T115-Y128 WeakPolarHBondContact CA-O 3.22Å; T115-Y128 PolarHBondContact OG1-O 3.35Å; T115-Y128 VanDerWaalsContact OG1-O 3.04Å
116	L	98	Very high	96.6	Very high	9 Å²	9	67 Å²	67	5%	0.047	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.5	174.9	-170.9	67.1	0	0	0	110.2	R103 F105 Y122 L125 Y128	R103-L116 HydrophobicContact CB-CD1 3.78Å; R103-L116 HydrophobicContact CG-CD1 4.3Å; F105-L116 HydrophobicContact CD1-CD1 4.3Å; F105-L116 HydrophobicContact CE1-CD1 4.19Å; L116-Y122 HydrophobicContact CD2-CD1 4.43Å; L116-Y122 HydrophobicContact CD2-CD2 3.66Å; L116-Y122 HydrophobicContact CD2-CE1 4.36Å; L116-Y122 HydrophobicContact CD2-CE2 3.56Å; L116-Y122 HydrophobicContact CD2-CG 4.09Å; L116-Y122 HydrophobicContact CG-CD2 4.45Å; L116-Y122 HydrophobicContact CG-CE2 3.99Å; L116-L125 HydrophobicContact CD2-CD2 3.42Å; L116-L125 VanDerWaalsContact CD2-CD2 3.42Å; L116-Y128 HydrophobicContact CB-CD1 3.89Å; L116-Y128 HydrophobicContact CB-CD2 4.48Å; L116-Y128 HydrophobicContact CB-CG 3.77Å; L116-Y128 HydrophobicContact CD2-CD2 4.3Å; L116-Y128 HydrophobicContact CD2-CG 4.39Å
117	G	96.6	Very high	96.5	Very high	12 Å²	12	66.3 Å²	66.3	12%	0.124	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	145	170.3	0	0	0	0	0	111.2	T104 I119	T104-G117 PolarHBondContact O-N 2.88Å; G117-I119 PolarHBondContact O-N 2.9Å
118	N	94	Very high	96.5	Very high	132 Å²	132	65.2 Å²	65.2	71%	0.706	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	36.5	-177.9	-61.1	-29	0	0	0	114	K120 S121	N118-K120 PolarHBondContact O-N 3.2Å; N118-S121 WeakPolarHBondContact O-CB 3.47Å; N118-S121 PolarHBondContact O-N 2.89Å; N118-S121 PolarHBondContact O-OG 2.81Å
119	I	94.2	Very high	96.6	Very high	42 Å²	42	65.1 Å²	65.1	22%	0.215	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-49.4	-31.9	-177.4	-163.2	170.3	0	0	0	114.2	G117 S121 Y122 L125	G117-I119 PolarHBondContact O-N 2.9Å; I119-S121 PolarHBondContact O-N 2.98Å; I119-Y122 WeakPolarHBondContact O-CB 3.25Å; I119-Y122 PolarHBondContact O-N 3.14Å; I119-L125 HydrophobicContact CD1-CD2 4.3Å; I119-L125 HydrophobicContact CD1-CG 4.16Å; I119-L125 HydrophobicContact CG1-CD2 3.82Å; I119-L125 HydrophobicContact CG1-CG 3.96Å
120	K	93.2	Very high	96.8	Very high	210 Å²	210	59.5 Å²	59.5	91%	0.913	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-62.2	-21.6	177.4	-62.9	-174.4	-178.9	-178.7	0	114	N118 Y122	N118-K120 PolarHBondContact O-N 3.2Å; K120-Y122 PolarHBondContact O-N 2.93Å
121	S	95	Very high	96.9	Very high	81 Å²	81	55.9 Å²	55.9	57%	0.566	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-79.6	-1.5	175.7	70.7	0	0	0	0	113.4	N118 I119 P123	N118-S121 WeakPolarHBondContact O-CB 3.47Å; N118-S121 PolarHBondContact O-N 2.89Å; N118-S121 PolarHBondContact O-OG 2.81Å; I119-S121 PolarHBondContact O-N 2.98Å; S121-P123 WeakPolarHBondContact O-CD 3.33Å
122	Y	93.9	Very high	96.9	Very high	83 Å²	83	51.8 Å²	51.8	33%	0.325	29%	0.289	S	S	.	.	S	Bend	trans	-108.2	99.4	179.1	-62.2	-91.6	0	0	0	109.4	L116 I119 K120 G124 L125	L116-Y122 HydrophobicContact CD2-CD1 4.43Å; L116-Y122 HydrophobicContact CD2-CD2 3.66Å; L116-Y122 HydrophobicContact CD2-CE1 4.36Å; L116-Y122 HydrophobicContact CD2-CE2 3.56Å; L116-Y122 HydrophobicContact CD2-CG 4.09Å; L116-Y122 HydrophobicContact CG-CD2 4.45Å; L116-Y122 HydrophobicContact CG-CE2 3.99Å; I119-Y122 WeakPolarHBondContact O-CB 3.25Å; I119-Y122 PolarHBondContact O-N 3.14Å; K120-Y122 PolarHBondContact O-N 2.93Å; Y122-G124 PolarHBondContact O-N 2.85Å; Y122-L125 HydrophobicContact CG-CD2 4.16Å; Y122-L125 WeakPolarHBondContact O-CB 3.37Å; Y122-L125 PolarHBondContact O-N 2.8Å; Y122-L125 VanDerWaalsContact O-N 3.12Å
123	P	95.4	Very high	96.9	Very high	125 Å²	125	52.2 Å²	52.2	81%	0.812	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	130.8	-175.9	-27.2	35.5	0	0	0	112.8	S121 L125	S121-P123 WeakPolarHBondContact O-CD 3.33Å; P123-L125 PolarHBondContact O-N 3.09Å
124	G	95.2	Very high	96.9	Very high	41 Å²	41	52.8 Å²	52.8	42%	0.423	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-6.2	178.7	0	0	0	0	0	115.5	Y122 S149 Q150	Y122-G124 PolarHBondContact O-N 2.85Å; G124-S149 CarbonylContact O-C 3.44Å; G124-S149 VanDerWaalsContact O-CA 3.3Å; G124-S149 WeakPolarHBondContact O-CA 3.48Å; G124-Q150 PolarHBondContact O-N 3.26Å
125	L	97.2	Very high	96.9	Very high	25 Å²	25	52.8 Å²	52.8	13%	0.131	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.5	175.2	-175.2	69.2	0	0	0	110.1	L116 I119 Y122 P123 S127 Y128 K147 V148	L116-L125 HydrophobicContact CD2-CD2 3.42Å; L116-L125 VanDerWaalsContact CD2-CD2 3.42Å; I119-L125 HydrophobicContact CD1-CD2 4.3Å; I119-L125 HydrophobicContact CD1-CG 4.16Å; I119-L125 HydrophobicContact CG1-CD2 3.82Å; I119-L125 HydrophobicContact CG1-CG 3.96Å; Y122-L125 HydrophobicContact CG-CD2 4.16Å; Y122-L125 WeakPolarHBondContact O-CB 3.37Å; Y122-L125 PolarHBondContact O-N 2.8Å; Y122-L125 VanDerWaalsContact O-N 3.12Å; P123-L125 PolarHBondContact O-N 3.09Å; L125-S127 WeakPolarHBondContact CD1-O 3.05Å; L125-Y128 HydrophobicContact CD1-CD2 4.28Å; L125-Y128 HydrophobicContact CD2-CD2 4.16Å; L125-K147 HydrophobicContact CD1-CB 3.93Å; L125-K147 HydrophobicContact CD1-CD 4.17Å; L125-K147 HydrophobicContact CD1-CG 4.5Å; L125-V148 WeakPolarHBondContact CD1-O 3.44Å
126	T	97.1	Very high	96.9	Very high	91 Å²	91	52.6 Å²	52.6	56%	0.558	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	-25.7	-176	57.3	0	0	0	0	113.3	V148	T126-V148 PolarHBondContact N-O 3.26Å; T126-V148 WeakPolarHBondContact OG1-CB 3.41Å; T126-V148 VanDerWaalsContact OG1-CG1 3.32Å; T126-V148 WeakPolarHBondContact OG1-CG1 3.15Å; T126-V148 PolarHBondContact OG1-O 3.11Å
127	S	97.4	Very high	97	Very high	42 Å²	42	53.5 Å²	53.5	29%	0.294	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	150.7	172	74.3	0	0	0	0	111.8	L125 K147 V148	L125-S127 WeakPolarHBondContact CD1-O 3.05Å; S127-K147 VanDerWaalsContact O-CA 3.22Å; S127-K147 WeakPolarHBondContact O-CA 3.3Å; S127-K147 WeakPolarHBondContact O-CB 3.45Å; S127-V148 PolarHBondContact N-O 3.24Å; S127-V148 PolarHBondContact O-N 3.43Å; S127-V148 WeakPolarHBondContact OG-CB 3.46Å; S127-V148 VanDerWaalsContact OG-CG2 3.25Å; S127-V148 WeakPolarHBondContact OG-CG2 3.27Å; S127-V148 PolarHBondContact OG-N 3.09Å
128	Y	98.4	Very high	97.1	Very high	36 Å²	36	58.2 Å²	58.2	14%	0.141	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	126.7	174.4	-159.2	-83.3	0	0	0	109.1	F105 T115 L116 L125 V130 F145 K146 K147	F105-Y128 AromaticContact CE1-CE1 3.9Å; F105-Y128 HydrophobicContact CE1-CE1 3.9Å; F105-Y128 HydrophobicContact CZ-CE1 4.17Å; T115-Y128 WeakPolarHBondContact CA-O 3.22Å; T115-Y128 PolarHBondContact OG1-O 3.35Å; T115-Y128 VanDerWaalsContact OG1-O 3.04Å; L116-Y128 HydrophobicContact CB-CD1 3.89Å; L116-Y128 HydrophobicContact CB-CD2 4.48Å; L116-Y128 HydrophobicContact CB-CG 3.77Å; L116-Y128 HydrophobicContact CD2-CD2 4.3Å; L116-Y128 HydrophobicContact CD2-CG 4.39Å; L125-Y128 HydrophobicContact CD1-CD2 4.28Å; L125-Y128 HydrophobicContact CD2-CD2 4.16Å; Y128-V130 HydrophobicContact CD1-CG2 3.98Å; Y128-V130 HydrophobicContact CE1-CG2 3.57Å; Y128-F145 HydrophobicContact CE1-CD1 4.21Å; Y128-K146 CarbonylContact C-O 3.53Å; Y128-K146 WeakPolarHBondContact CA-O 3.17Å; Y128-K147 HydrophobicContact CD2-CB 3.73Å; Y128-K147 HydrophobicContact CD2-CD 4.44Å; Y128-K147 HydrophobicContact CE2-CB 4.2Å; Y128-K147 HydrophobicContact CE2-CD 4.28Å; Y128-K147 HydrophobicContact CG-CB 4.48Å
129	L	98.6	Very high	97.3	Very high	35 Å²	35	57.2 Å²	57.2	18%	0.183	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136	178.4	173.4	68	0	0	0	108.7	L33 F145 K146	L33-L129 HydrophobicContact CD1-CD2 3.77Å; L33-L129 HydrophobicContact CD2-CD2 3.62Å; L33-L129 HydrophobicContact CG-CD2 4.35Å; L129-F145 CarbonylContact O-C 3.36Å; L129-F145 WeakPolarHBondContact O-CA 3.38Å; L129-K146 HydrophobicContact CB-CB 4.37Å; L129-K146 PolarHBondContact N-O 3.21Å; L129-K146 PolarHBondContact O-N 2.95Å
130	V	98.8	Very high	97.5	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.1	168.2	-172.3	0	0	0	0	106.9	F105 E113 F114 Y128 V143 F144 F145	F105-V130 HydrophobicContact CD1-CG2 4.4Å; F105-V130 HydrophobicContact CD2-CG1 4.41Å; F105-V130 HydrophobicContact CD2-CG2 4.01Å; F105-V130 HydrophobicContact CE1-CG2 4.09Å; F105-V130 HydrophobicContact CE2-CB 4.48Å; F105-V130 HydrophobicContact CE2-CG1 4.12Å; F105-V130 HydrophobicContact CE2-CG2 3.71Å; F105-V130 HydrophobicContact CG-CG2 4.37Å; F105-V130 HydrophobicContact CZ-CG2 3.75Å; E113-V130 CarbonylContact C-O 3.59Å; E113-V130 VanDerWaalsContact CA-O 3.23Å; E113-V130 WeakPolarHBondContact CA-O 3.32Å; F114-V130 HydrophobicContact CB-CB 4.04Å; F114-V130 HydrophobicContact CB-CG2 4.39Å; F114-V130 HydrophobicContact CD2-CB 4.37Å; F114-V130 HydrophobicContact CD2-CG1 4.36Å; F114-V130 PolarHBondContact N-O 2.89Å; F114-V130 PolarHBondContact O-N 2.98Å; Y128-V130 HydrophobicContact CD1-CG2 3.98Å; Y128-V130 HydrophobicContact CE1-CG2 3.57Å; V130-V143 HydrophobicContact CG1-CG1 3.53Å; V130-F144 CarbonylContact C-O 3.58Å; V130-F144 WeakPolarHBondContact CA-O 3.35Å; V130-F145 HydrophobicContact CB-CD1 4.39Å; V130-F145 HydrophobicContact CB-CE1 4.39Å; V130-F145 HydrophobicContact CG1-CD1 4.11Å; V130-F145 HydrophobicContact CG1-CE1 3.72Å; V130-F145 HydrophobicContact CG1-CZ 4.24Å; V130-F145 HydrophobicContact CG2-CD1 3.81Å; V130-F145 HydrophobicContact CG2-CE1 3.88Å
131	R	98.9	Very high	97.8	Very high	34 Å²	34	46.7 Å²	46.7	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	118.9	173.5	179.7	176.5	-75.4	-176.4	-1.8	109	L33 V36 P37 L38 E113 V133 F144	L33-R131 PolarHBondContact O-NH1 2.95Å; V36-R131 HydrophobicContact CG1-CG 4.47Å; V36-R131 PolarHBondContact O-NH1 2.97Å; P37-R131 WeakPolarHBondContact O-CD 3.34Å; L38-R131 HydrophobicContact CB-CG 4.48Å; L38-R131 HydrophobicContact CD1-CG 3.75Å; E113-R131 HydrophobicContact CG-CG 4.37Å; E113-R131 IonicContact OE1-CZ 2.72Å; E113-R131 IonicContact OE1-NE 2.65Å; E113-R131 PolarHBondContact OE1-NE 2.67Å; E113-R131 IonicContact OE1-NH2 3.04Å; E113-R131 PolarHBondContact OE1-NH2 3.35Å; R131-V133 PolarHBondContact O-N 3.23Å; R131-F144 HydrophobicContact CB-CB 4.49Å; R131-F144 PolarHBondContact N-O 2.86Å; R131-F144 PolarHBondContact O-N 2.92Å
132	V	98.9	Very high	98	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	114	171.9	-177.8	0	0	0	0	107.9	Q39 F42 F47 G112 F114 T135 V143	Q39-V132 HydrophobicContact CB-CB 4.42Å; Q39-V132 HydrophobicContact CB-CG1 4Å; Q39-V132 PolarHBondContact N-O 3Å; F42-V132 HydrophobicContact CD2-CB 4.13Å; F42-V132 HydrophobicContact CD2-CG1 4.04Å; F42-V132 HydrophobicContact CD2-CG2 4.25Å; F42-V132 HydrophobicContact CE2-CB 4.06Å; F42-V132 HydrophobicContact CE2-CG1 3.94Å; F42-V132 HydrophobicContact CE2-CG2 3.73Å; F42-V132 HydrophobicContact CZ-CG2 4.19Å; F47-V132 HydrophobicContact CE1-CG2 4.49Å; F47-V132 HydrophobicContact CE2-CG1 4.17Å; F47-V132 HydrophobicContact CE2-CG2 4.49Å; F47-V132 HydrophobicContact CZ-CG2 4.26Å; G112-V132 PolarHBondContact O-N 2.85Å; F114-V132 HydrophobicContact CE2-CG2 4.4Å; V132-T135 HydrophobicContact CG1-CG2 3.96Å; V132-V143 HydrophobicContact CG2-CG2 4.29Å
133	V	98.9	Very high	98.2	Very high	11 Å²	11	40 Å²	40	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-48.4	-174.1	178.4	0	0	0	0	110.8	V36 P37 Q39 R131 M142 F144 F177	V36-V133 HydrophobicContact CG1-CG2 3.85Å; P37-V133 HydrophobicContact CB-CG1 4.06Å; P37-V133 HydrophobicContact CG-CG1 4.2Å; P37-V133 WeakPolarHBondContact O-CA 3.3Å; Q39-V133 PolarHBondContact N-O 2.98Å; R131-V133 PolarHBondContact O-N 3.23Å; V133-M142 HydrophobicContact CB-CB 4.2Å; V133-M142 WeakPolarHBondContact CB-O 3.48Å; V133-M142 PolarHBondContact N-O 3.12Å; V133-F144 HydrophobicContact CG2-CB 3.76Å; V133-F177 HydrophobicContact CB-CE1 4.49Å; V133-F177 HydrophobicContact CB-CZ 4.5Å; V133-F177 HydrophobicContact CG1-CE1 4.01Å; V133-F177 HydrophobicContact CG1-CE2 4.27Å; V133-F177 HydrophobicContact CG1-CZ 3.75Å; V133-F177 HydrophobicContact CG2-CE1 4.06Å; V133-F177 HydrophobicContact CG2-CZ 4.02Å
134	S	98.8	Very high	98.4	Very high	31 Å²	31	34 Å²	34	22%	0.217	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	147.7	177.5	55.8	0	0	0	0	110	Q39 A141 M142	Q39-S134 VanDerWaalsContact OE1-CA 3.3Å; S134-A141 CarbonylContact O-C 3.49Å; S134-A141 VanDerWaalsContact O-CA 3.3Å; S134-A141 WeakPolarHBondContact O-CA 3.39Å; S134-M142 PolarHBondContact N-O 2.93Å; S134-M142 PolarHBondContact O-N 3.48Å; S134-M142 VanDerWaalsContact OG-CE 3.27Å; S134-M142 WeakPolarHBondContact OG-CE 3.49Å
135	T	98.8	Very high	98.5	Very high	11 Å²	11	32.4 Å²	32.4	7%	0.067	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	143.9	174	-178.9	0	0	0	0	110.3	Q39 F47 V132 Y137 H140 A141	Q39-T135 HydrophobicContact CG-CG2 4Å; Q39-T135 PolarHBondContact OE1-O 2.8Å; F47-T135 HydrophobicContact CD2-CG2 4.06Å; F47-T135 HydrophobicContact CE2-CG2 4.31Å; V132-T135 HydrophobicContact CG1-CG2 3.96Å; T135-Y137 HydrophobicContact CG2-CD1 3.79Å; T135-Y137 HydrophobicContact CG2-CE1 3.53Å; T135-Y137 HydrophobicContact CG2-CE2 4.34Å; T135-Y137 HydrophobicContact CG2-CG 4.32Å; T135-Y137 WeakPolarHBondContact OG1-CA 3.43Å; T135-Y137 PolarHBondContact OG1-N 3.46Å; T135-H140 WeakPolarHBondContact CA-O 3.49Å; T135-H140 PolarHBondContact OG1-O 2.82Å; T135-H140 VanDerWaalsContact OG1-O 3.11Å; T135-A141 WeakPolarHBondContact OG1-CB 3.4Å
136	N	98.6	Very high	98.6	Very high	51 Å²	51	33 Å²	33	27%	0.273	17%	0.172	S	C	.	.			trans	-100.9	7.9	163.9	71.9	-3.6	0	0	0	112.3	N138 Q139 H140	N136-N138 VanDerWaalsContact CG-OD1 3.22Å; N136-N138 PolarHBondContact ND2-OD1 2.74Å; N136-N138 PolarHBondContact O-N 2.91Å; N136-N138 PolarHBondContact O-OD1 2.95Å; N136-N138 VanDerWaalsContact O-OD1 3.11Å; N136-N138 PolarHBondContact OD1-OD1 2.88Å; N136-Q139 PolarHBondContact ND2-OE1 3.34Å; N136-Q139 PolarHBondContact OD1-N 3.2Å; N136-H140 PolarHBondContact N-O 3.27Å; N136-H140 PolarHBondContact ND2-CD2 3.43Å; N136-H140 PolarHBondContact OD1-N 3.06Å; N136-H140 PolarHBondContact OD1-O 3.06Å
137	Y	98.8	Very high	98.7	Very high	28 Å²	28	32.6 Å²	32.6	11%	0.11	16%	0.163	C	C	.	.	S	Bend	trans	67.5	-37.2	176.5	-49.5	-81.6	0	0	0	115.8	F42 Q43 Q46 F47 W51 T135 R162	F42-Y137 HydrophobicContact CD2-CE1 4.4Å; F42-Y137 HydrophobicContact CE2-CE1 4.43Å; Q43-Y137 HydrophobicContact CB-CE1 3.91Å; Q43-Y137 PolarHBondContact N-OH 3.25Å; Q43-Y137 WeakPolarHBondContact O-CE1 3.19Å; Q46-Y137 HydrophobicContact CB-CD1 3.52Å; Q46-Y137 HydrophobicContact CB-CD2 4.32Å; Q46-Y137 HydrophobicContact CB-CE1 4.11Å; Q46-Y137 HydrophobicContact CB-CG 3.65Å; F47-Y137 HydrophobicContact CB-CD1 4.21Å; F47-Y137 HydrophobicContact CB-CE1 4.44Å; F47-Y137 HydrophobicContact CD2-CD1 4.38Å; W51-Y137 WeakPolarHBondContact CH2-O 3.44Å; W51-Y137 WeakPolarHBondContact CZ2-O 3.34Å; T135-Y137 HydrophobicContact CG2-CD1 3.79Å; T135-Y137 HydrophobicContact CG2-CE1 3.53Å; T135-Y137 HydrophobicContact CG2-CE2 4.34Å; T135-Y137 HydrophobicContact CG2-CG 4.32Å; T135-Y137 WeakPolarHBondContact OG1-CA 3.43Å; T135-Y137 PolarHBondContact OG1-N 3.46Å; Y137-R162 PolarHBondContact O-NE 2.88Å; Y137-R162 PolarHBondContact O-NH2 2.97Å
138	N	98.3	Very high	98.7	Very high	110 Å²	110	32 Å²	32	59%	0.588	16%	0.158	S	C	*	.	S	Bend	trans	-99.7	-14.7	-171.5	64.8	-3.5	0	0	0	114.2	N136 R162	N136-N138 VanDerWaalsContact CG-OD1 3.22Å; N136-N138 PolarHBondContact ND2-OD1 2.74Å; N136-N138 PolarHBondContact O-N 2.91Å; N136-N138 PolarHBondContact O-OD1 2.95Å; N136-N138 VanDerWaalsContact O-OD1 3.11Å; N136-N138 PolarHBondContact OD1-OD1 2.88Å; N138-R162 WeakPolarHBondContact O-CG 3.33Å
139	Q	98.5	Very high	98.6	Very high	112 Å²	112	31.4 Å²	31.4	52%	0.523	16%	0.158	S	C	.	.	S	Bend	trans	-128.7	-52	-179.9	-64.6	174.4	-37.5	0	0	112.3	N136 G161 R162	N136-Q139 PolarHBondContact ND2-OE1 3.34Å; N136-Q139 PolarHBondContact OD1-N 3.2Å; Q139-G161 CarbonylContact O-C 3.57Å; Q139-G161 WeakPolarHBondContact O-CA 3.33Å; Q139-R162 PolarHBondContact O-N 3.06Å
140	H	98.8	Very high	98.4	Very high	30 Å²	30	36.4 Å²	36.4	14%	0.139	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.7	-172.8	75.2	89.5	0	0	0	113.3	T135 N136 Y160 L166 L170	T135-H140 WeakPolarHBondContact CA-O 3.49Å; T135-H140 PolarHBondContact OG1-O 2.82Å; T135-H140 VanDerWaalsContact OG1-O 3.11Å; N136-H140 PolarHBondContact N-O 3.27Å; N136-H140 PolarHBondContact ND2-CD2 3.43Å; N136-H140 PolarHBondContact OD1-N 3.06Å; N136-H140 PolarHBondContact OD1-O 3.06Å; H140-Y160 CarbonylContact C-O 3.59Å; H140-Y160 WeakPolarHBondContact CA-O 3.44Å; H140-Y160 WeakPolarHBondContact CB-O 3.3Å; H140-L166 HydrophobicContact CB-CD1 4.13Å; H140-L166 HydrophobicContact CB-CD2 4.04Å; H140-L170 HydrophobicContact CB-CD1 4.08Å
141	A	98.9	Very high	98.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	148.5	168.1	0	0	0	0	0	111.6	F47 W51 S134 T135 Y160	F47-A141 HydrophobicContact CE2-CB 3.63Å; F47-A141 HydrophobicContact CZ-CB 4.23Å; W51-A141 HydrophobicContact CH2-CB 4.15Å; W51-A141 HydrophobicContact CZ2-CB 4.46Å; W51-A141 HydrophobicContact CZ3-CB 4.34Å; S134-A141 CarbonylContact O-C 3.49Å; S134-A141 VanDerWaalsContact O-CA 3.3Å; S134-A141 WeakPolarHBondContact O-CA 3.39Å; T135-A141 WeakPolarHBondContact OG1-CB 3.4Å; A141-Y160 HydrophobicContact CB-CD2 4.45Å; A141-Y160 PolarHBondContact N-O 3.02Å; A141-Y160 PolarHBondContact O-N 3.2Å
142	M	98.9	Very high	98	Very high	23 Å²	23	45.6 Å²	45.6	11%	0.113	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.3	164.2	-72.7	-170.4	-72.2	0	0	109.4	V133 S134 T158 L159 F174 F177	V133-M142 HydrophobicContact CB-CB 4.2Å; V133-M142 WeakPolarHBondContact CB-O 3.48Å; V133-M142 PolarHBondContact N-O 3.12Å; S134-M142 PolarHBondContact N-O 2.93Å; S134-M142 PolarHBondContact O-N 3.48Å; S134-M142 VanDerWaalsContact OG-CE 3.27Å; S134-M142 WeakPolarHBondContact OG-CE 3.49Å; M142-T158 WeakPolarHBondContact CA-O 3.42Å; M142-L159 HydrophobicContact CG-CD1 3.97Å; M142-F174 HydrophobicContact CG-CD2 4.36Å; M142-F174 HydrophobicContact SD-CB 4.17Å; M142-F174 HydrophobicContact SD-CD2 3.98Å; M142-F177 HydrophobicContact SD-CB 4.4Å; M142-F177 HydrophobicContact SD-CD1 4.03Å
143	V	98.9	Very high	98	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.6	-179.9	-175.3	0	0	0	0	109.7	F47 V130 V132 F145 I157 T158 Y160	F47-V143 HydrophobicContact CZ-CG2 3.89Å; V130-V143 HydrophobicContact CG1-CG1 3.53Å; V132-V143 HydrophobicContact CG2-CG2 4.29Å; V143-F145 HydrophobicContact CB-CE2 3.76Å; V143-F145 HydrophobicContact CB-CZ 4.11Å; V143-F145 HydrophobicContact CG1-CD2 4.16Å; V143-F145 HydrophobicContact CG1-CE1 4.2Å; V143-F145 HydrophobicContact CG1-CE2 3.49Å; V143-F145 VanDerWaalsContact CG1-CE2 3.49Å; V143-F145 HydrophobicContact CG1-CZ 3.5Å; V143-I157 CarbonylContact O-C 3.55Å; V143-I157 WeakPolarHBondContact O-CA 3.47Å; V143-T158 PolarHBondContact N-O 2.84Å; V143-T158 PolarHBondContact O-N 3.32Å; V143-Y160 HydrophobicContact CB-CD2 4.34Å; V143-Y160 HydrophobicContact CB-CE2 3.99Å; V143-Y160 HydrophobicContact CG2-CD2 3.72Å; V143-Y160 HydrophobicContact CG2-CE2 3.67Å
144	F	98.9	Very high	97.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.4	174.4	176.6	-93.9	0	0	0	109.8	P31 L33 V36 V130 R131 V133 K146 F155 I157 L181	P31-F144 HydrophobicContact CG-CE2 3.91Å; P31-F144 HydrophobicContact CG-CZ 4.17Å; L33-F144 HydrophobicContact CD2-CE1 3.92Å; V36-F144 HydrophobicContact CG1-CB 3.62Å; V36-F144 HydrophobicContact CG1-CD1 3.91Å; V36-F144 HydrophobicContact CG1-CD2 4.05Å; V36-F144 HydrophobicContact CG1-CG 3.61Å; V36-F144 HydrophobicContact CG2-CD1 4.39Å; V36-F144 HydrophobicContact CG2-CD2 3.98Å; V36-F144 HydrophobicContact CG2-CE1 4.29Å; V36-F144 HydrophobicContact CG2-CE2 3.9Å; V36-F144 HydrophobicContact CG2-CG 4.23Å; V36-F144 HydrophobicContact CG2-CZ 4.07Å; V130-F144 CarbonylContact C-O 3.58Å; V130-F144 WeakPolarHBondContact CA-O 3.35Å; R131-F144 HydrophobicContact CB-CB 4.49Å; R131-F144 PolarHBondContact N-O 2.86Å; R131-F144 PolarHBondContact O-N 2.92Å; V133-F144 HydrophobicContact CG2-CB 3.76Å; F144-K146 HydrophobicContact CE1-CB 3.66Å; F144-K146 HydrophobicContact CE1-CD 4.34Å; F144-K146 HydrophobicContact CZ-CB 4.03Å; F144-K146 HydrophobicContact CZ-CD 4.31Å; F144-F155 HydrophobicContact CE2-CB 3.98Å; F144-F155 AromaticContact CE2-CD2 3.71Å; F144-F155 HydrophobicContact CE2-CD2 3.71Å; F144-F155 HydrophobicContact CE2-CG 4.19Å; F144-F155 HydrophobicContact CZ-CB 3.95Å; F144-F155 HydrophobicContact CZ-CD2 4.43Å; F144-F155 HydrophobicContact CZ-CG 4.49Å; F144-I157 HydrophobicContact CD2-CG1 4.07Å; F144-L181 HydrophobicContact CD2-CD1 4.23Å; F144-L181 HydrophobicContact CE2-CD1 4.34Å
145	F	98.9	Very high	97.9	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.9	175.5	-60.4	-96.4	0	0	0	108.7	F105 Y128 L129 V130 V143 F155 K156 T158	F105-F145 AromaticContact CE2-CE1 3.96Å; F105-F145 HydrophobicContact CE2-CE1 3.96Å; F105-F145 AromaticContact CZ-CE1 3.87Å; F105-F145 HydrophobicContact CZ-CE1 3.87Å; Y128-F145 HydrophobicContact CE1-CD1 4.21Å; L129-F145 CarbonylContact O-C 3.36Å; L129-F145 WeakPolarHBondContact O-CA 3.38Å; V130-F145 HydrophobicContact CB-CD1 4.39Å; V130-F145 HydrophobicContact CB-CE1 4.39Å; V130-F145 HydrophobicContact CG1-CD1 4.11Å; V130-F145 HydrophobicContact CG1-CE1 3.72Å; V130-F145 HydrophobicContact CG1-CZ 4.24Å; V130-F145 HydrophobicContact CG2-CD1 3.81Å; V130-F145 HydrophobicContact CG2-CE1 3.88Å; V143-F145 HydrophobicContact CB-CE2 3.76Å; V143-F145 HydrophobicContact CB-CZ 4.11Å; V143-F145 HydrophobicContact CG1-CD2 4.16Å; V143-F145 HydrophobicContact CG1-CE1 4.2Å; V143-F145 HydrophobicContact CG1-CE2 3.49Å; V143-F145 VanDerWaalsContact CG1-CE2 3.49Å; V143-F145 HydrophobicContact CG1-CZ 3.5Å; F145-F155 CarbonylContact O-C 3.54Å; F145-F155 WeakPolarHBondContact O-CA 3.25Å; F145-F155 WeakPolarHBondContact O-CB 3.36Å; F145-K156 HydrophobicContact CB-CG 3.78Å; F145-K156 HydrophobicContact CD2-CG 4.03Å; F145-K156 HydrophobicContact CG-CG 4.21Å; F145-K156 PolarHBondContact N-O 3.45Å; F145-K156 PolarHBondContact O-N 2.02Å; F145-T158 WeakPolarHBondContact CE2-OG1 3.19Å
146	K	98.7	Very high	97.9	Very high	39 Å²	39	51.3 Å²	51.3	17%	0.17	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.1	171.7	-170.7	171.7	79.5	77.4	0	109.5	A30 Y128 L129 F144 E153 Y154 F155	A30-K146 HydrophobicContact CB-CD 4.05Å; Y128-K146 CarbonylContact C-O 3.53Å; Y128-K146 WeakPolarHBondContact CA-O 3.17Å; L129-K146 HydrophobicContact CB-CB 4.37Å; L129-K146 PolarHBondContact N-O 3.21Å; L129-K146 PolarHBondContact O-N 2.95Å; F144-K146 HydrophobicContact CE1-CB 3.66Å; F144-K146 HydrophobicContact CE1-CD 4.34Å; F144-K146 HydrophobicContact CZ-CB 4.03Å; F144-K146 HydrophobicContact CZ-CD 4.31Å; K146-E153 HydrophobicContact CD-CG 4.44Å; K146-E153 WeakPolarHBondContact CD-OE1 3.42Å; K146-E153 HydrophobicContact CG-CG 4.19Å; K146-E153 IonicContact NZ-OE1 3.35Å; K146-E153 PolarHBondContact NZ-OE1 2.62Å; K146-Y154 CarbonylContact C-O 3.59Å; K146-Y154 WeakPolarHBondContact CA-O 3.03Å; K146-F155 HydrophobicContact CB-CB 4.48Å; K146-F155 HydrophobicContact CG-CB 4.43Å
147	K	98.1	Very high	98	Very high	82 Å²	82	48.9 Å²	48.9	36%	0.357	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.7	175.9	67.3	173.2	-175.3	173.1	0	111.2	L125 S127 Y128 Y154	L125-K147 HydrophobicContact CD1-CB 3.93Å; L125-K147 HydrophobicContact CD1-CD 4.17Å; L125-K147 HydrophobicContact CD1-CG 4.5Å; S127-K147 VanDerWaalsContact O-CA 3.22Å; S127-K147 WeakPolarHBondContact O-CA 3.3Å; S127-K147 WeakPolarHBondContact O-CB 3.45Å; Y128-K147 HydrophobicContact CD2-CB 3.73Å; Y128-K147 HydrophobicContact CD2-CD 4.44Å; Y128-K147 HydrophobicContact CE2-CB 4.2Å; Y128-K147 HydrophobicContact CE2-CD 4.28Å; Y128-K147 HydrophobicContact CG-CB 4.48Å; K147-Y154 HydrophobicContact CG-CD2 4.34Å; K147-Y154 PolarHBondContact N-O 3.49Å; K147-Y154 PolarHBondContact O-N 3.35Å
148	V	98	Very high	98	Very high	30 Å²	30	47.6 Å²	47.6	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119	167	179.8	0	0	0	0	107.8	L125 T126 S127 R152 E153	L125-V148 WeakPolarHBondContact CD1-O 3.44Å; T126-V148 PolarHBondContact N-O 3.26Å; T126-V148 WeakPolarHBondContact OG1-CB 3.41Å; T126-V148 VanDerWaalsContact OG1-CG1 3.32Å; T126-V148 WeakPolarHBondContact OG1-CG1 3.15Å; T126-V148 PolarHBondContact OG1-O 3.11Å; S127-V148 PolarHBondContact N-O 3.24Å; S127-V148 PolarHBondContact O-N 3.43Å; S127-V148 WeakPolarHBondContact OG-CB 3.46Å; S127-V148 VanDerWaalsContact OG-CG2 3.25Å; S127-V148 WeakPolarHBondContact OG-CG2 3.27Å; S127-V148 PolarHBondContact OG-N 3.09Å; V148-R152 WeakPolarHBondContact CA-O 3.42Å; V148-E153 HydrophobicContact CG2-CB 4.29Å; V148-E153 HydrophobicContact CG2-CG 4.1Å
149	S	96.8	Very high	98	Very high	23 Å²	23	42.4 Å²	42.4	16%	0.161	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.1	-179	-176.9	0	0	0	0	108.8	G124 N151 R152	G124-S149 CarbonylContact O-C 3.44Å; G124-S149 VanDerWaalsContact O-CA 3.3Å; G124-S149 WeakPolarHBondContact O-CA 3.48Å; S149-N151 PolarHBondContact O-N 2.83Å; S149-R152 PolarHBondContact N-O 2.92Å; S149-R152 PolarHBondContact O-N 2.93Å
150	Q	94.8	Very high	98	Very high	140 Å²	140	37.1 Å²	37.1	65%	0.654	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	45.3	-177.4	-58.3	169.8	-0.6	0	0	111.7	G124 R152	G124-Q150 PolarHBondContact O-N 3.26Å; Q150-R152 PolarHBondContact O-N 3.3Å
151	N	93.4	Very high	98	Very high	149 Å²	149	35.7 Å²	35.7	80%	0.797	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	13.7	-177	-56.2	-23	0	0	0	115.7	S149	S149-N151 PolarHBondContact O-N 2.83Å
152	R	95.9	Very high	98	Very high	79 Å²	79	38.7 Å²	38.7	30%	0.298	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.8	174.7	-64.1	177.8	73.7	-168	2.8	110	S25 L27 V148 S149 Q150 Y154	S25-R152 PolarHBondContact O-NH2 2.86Å; L27-R152 HydrophobicContact CD1-CB 4.13Å; V148-R152 WeakPolarHBondContact CA-O 3.42Å; S149-R152 PolarHBondContact N-O 2.92Å; S149-R152 PolarHBondContact O-N 2.93Å; Q150-R152 PolarHBondContact O-N 3.3Å; R152-Y154 HydrophobicContact CB-CD2 4.44Å; R152-Y154 HydrophobicContact CB-CE2 3.58Å; R152-Y154 PolarHBondContact NH1-OH 3.36Å; R152-Y154 WeakPolarHBondContact O-CD2 3.49Å; R152-Y154 WeakPolarHBondContact O-CE2 3.48Å
153	E	97.6	Very high	98	Very high	75 Å²	75	41.6 Å²	41.6	35%	0.35	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.3	179.7	-167	171	-138.1	0	0	110.8	A30 N59 K146 V148	A30-E153 VanDerWaalsContact CB-CD 3.47Å; A30-E153 HydrophobicContact CB-CG 3.82Å; A30-E153 VanDerWaalsContact CB-OE2 3.25Å; A30-E153 WeakPolarHBondContact CB-OE2 3.23Å; N59-E153 PolarHBondContact ND2-O 2.63Å; K146-E153 HydrophobicContact CD-CG 4.44Å; K146-E153 WeakPolarHBondContact CD-OE1 3.42Å; K146-E153 HydrophobicContact CG-CG 4.19Å; K146-E153 IonicContact NZ-OE1 3.35Å; K146-E153 PolarHBondContact NZ-OE1 2.62Å; V148-E153 HydrophobicContact CG2-CB 4.29Å; V148-E153 HydrophobicContact CG2-CG 4.1Å
154	Y	98.4	Very high	98	Very high	41 Å²	41	43.2 Å²	43.2	16%	0.161	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141	178	-58.5	-88	0	0	0	109.2	L27 N59 A60 K146 K147 R152	L27-Y154 HydrophobicContact CD1-CD1 3.87Å; L27-Y154 HydrophobicContact CD1-CE1 3.52Å; L27-Y154 HydrophobicContact CD2-CD1 4.36Å; L27-Y154 HydrophobicContact CD2-CE1 4.05Å; L27-Y154 HydrophobicContact CG-CE1 4.45Å; N59-Y154 WeakPolarHBondContact OD1-CA 3.37Å; A60-Y154 HydrophobicContact CB-CD1 3.74Å; A60-Y154 HydrophobicContact CB-CE1 4.08Å; K146-Y154 CarbonylContact C-O 3.59Å; K146-Y154 WeakPolarHBondContact CA-O 3.03Å; K147-Y154 HydrophobicContact CG-CD2 4.34Å; K147-Y154 PolarHBondContact N-O 3.49Å; K147-Y154 PolarHBondContact O-N 3.35Å; R152-Y154 HydrophobicContact CB-CD2 4.44Å; R152-Y154 HydrophobicContact CB-CE2 3.58Å; R152-Y154 PolarHBondContact NH1-OH 3.36Å; R152-Y154 WeakPolarHBondContact O-CD2 3.49Å; R152-Y154 WeakPolarHBondContact O-CE2 3.48Å
155	F	98.8	Very high	97.9	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.2	169	76.8	-82	0	0	0	111	P29 A30 P31 G58 N59 F144 F145 K146 I157 L181 L183	P29-F155 WeakPolarHBondContact O-CE1 3.34Å; A30-F155 HydrophobicContact CB-CB 4.4Å; A30-F155 HydrophobicContact CB-CD1 3.85Å; A30-F155 HydrophobicContact CB-CG 4.38Å; P31-F155 HydrophobicContact CG-CD2 4.39Å; P31-F155 HydrophobicContact CG-CE2 4.29Å; G58-F155 WeakPolarHBondContact CA-O 3.43Å; N59-F155 HydrophobicContact CB-CD1 3.98Å; N59-F155 HydrophobicContact CB-CE1 3.65Å; N59-F155 HydrophobicContact CB-CZ 4.42Å; N59-F155 PolarHBondContact N-O 2.89Å; N59-F155 PolarHBondContact OD1-N 2.73Å; N59-F155 PolarHBondContact OD1-O 2.84Å; F144-F155 HydrophobicContact CE2-CB 3.98Å; F144-F155 AromaticContact CE2-CD2 3.71Å; F144-F155 HydrophobicContact CE2-CD2 3.71Å; F144-F155 HydrophobicContact CE2-CG 4.19Å; F144-F155 HydrophobicContact CZ-CB 3.95Å; F144-F155 HydrophobicContact CZ-CD2 4.43Å; F144-F155 HydrophobicContact CZ-CG 4.49Å; F145-F155 CarbonylContact O-C 3.54Å; F145-F155 WeakPolarHBondContact O-CA 3.25Å; F145-F155 WeakPolarHBondContact O-CB 3.36Å; K146-F155 HydrophobicContact CB-CB 4.48Å; K146-F155 HydrophobicContact CG-CB 4.43Å; F155-I157 HydrophobicContact CD2-CD1 4.16Å; F155-I157 HydrophobicContact CE2-CD1 4.05Å; F155-L181 HydrophobicContact CE2-CB 4.38Å; F155-L183 HydrophobicContact CE1-CD2 4.37Å; F155-L183 HydrophobicContact CE2-CD1 3.82Å; F155-L183 HydrophobicContact CE2-CD2 3.98Å; F155-L183 HydrophobicContact CE2-CG 3.93Å; F155-L183 HydrophobicContact CZ-CD1 4.24Å; F155-L183 HydrophobicContact CZ-CD2 3.54Å; F155-L183 HydrophobicContact CZ-CG 3.85Å
156	K	98.8	Very high	97.9	Very high	53 Å²	53	51 Å²	51	23%	0.23	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.9	171.5	65.9	170.7	-172.2	169.8	0	111.5	L56 A57 F145	L56-K156 HydrophobicContact CD1-CD 3.98Å; A57-K156 CarbonylContact O-C 3.51Å; A57-K156 WeakPolarHBondContact O-CA 3.32Å; A57-K156 WeakPolarHBondContact O-CB 3.46Å; F145-K156 HydrophobicContact CB-CG 3.78Å; F145-K156 HydrophobicContact CD2-CG 4.03Å; F145-K156 HydrophobicContact CG-CG 4.21Å; F145-K156 PolarHBondContact N-O 3.45Å; F145-K156 PolarHBondContact O-N 2.02Å
157	I	98.9	Very high	97.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.9	169.3	-48.2	90.6	0	0	0	107	A57 V143 F144 F155 F174 F177 L181 L183	A57-I157 HydrophobicContact CB-CD1 4.34Å; A57-I157 PolarHBondContact N-O 2.95Å; A57-I157 PolarHBondContact O-N 2.87Å; V143-I157 CarbonylContact O-C 3.55Å; V143-I157 WeakPolarHBondContact O-CA 3.47Å; F144-I157 HydrophobicContact CD2-CG1 4.07Å; F155-I157 HydrophobicContact CD2-CD1 4.16Å; F155-I157 HydrophobicContact CE2-CD1 4.05Å; I157-F174 HydrophobicContact CB-CE2 3.9Å; I157-F174 HydrophobicContact CG2-CD2 4.24Å; I157-F174 HydrophobicContact CG2-CE2 3.7Å; I157-F177 HydrophobicContact CG1-CE1 4.07Å; I157-F177 HydrophobicContact CG2-CD1 4.03Å; I157-F177 HydrophobicContact CG2-CE1 3.85Å; I157-L181 HydrophobicContact CD1-CD1 3.7Å; I157-L181 HydrophobicContact CG1-CD1 3.85Å; I157-L183 HydrophobicContact CD1-CD1 3.64Å
158	T	98.9	Very high	97.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.1	174.3	-56.5	0	0	0	0	108.8	V53 M142 V143 F145 Y160	V53-T158 HydrophobicContact CB-CG2 4.26Å; V53-T158 HydrophobicContact CG1-CG2 3.73Å; V53-T158 HydrophobicContact CG2-CG2 3.73Å; M142-T158 WeakPolarHBondContact CA-O 3.42Å; V143-T158 PolarHBondContact N-O 2.84Å; V143-T158 PolarHBondContact O-N 3.32Å; F145-T158 WeakPolarHBondContact CE2-OG1 3.19Å; T158-Y160 HydrophobicContact CG2-CD1 3.82Å; T158-Y160 HydrophobicContact CG2-CD2 4.12Å; T158-Y160 HydrophobicContact CG2-CE1 3.58Å; T158-Y160 HydrophobicContact CG2-CE2 3.88Å; T158-Y160 HydrophobicContact CG2-CG 4.09Å
159	L	98.9	Very high	97.9	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.1	165	175	63.4	0	0	0	107.8	V54 G55 M142 L166 K171 F174 F190	V54-L159 HydrophobicContact CG1-CD2 4.48Å; V54-L159 PolarHBondContact N-O 2.83Å; G55-L159 PolarHBondContact N-O 3.1Å; G55-L159 VanDerWaalsContact N-O 3.09Å; G55-L159 PolarHBondContact O-N 2.8Å; M142-L159 HydrophobicContact CG-CD1 3.97Å; L159-L166 HydrophobicContact CD1-CD1 3.83Å; L159-L166 HydrophobicContact CD2-CD1 3.84Å; L159-L166 HydrophobicContact CG-CD1 3.7Å; L159-K171 HydrophobicContact CD2-CG 4.41Å; L159-F174 HydrophobicContact CB-CB 4.38Å; L159-F174 HydrophobicContact CB-CD1 4.24Å; L159-F174 HydrophobicContact CB-CD2 3.68Å; L159-F174 HydrophobicContact CB-CE1 4.45Å; L159-F174 HydrophobicContact CB-CE2 3.91Å; L159-F174 HydrophobicContact CB-CG 3.84Å; L159-F174 HydrophobicContact CB-CZ 4.29Å; L159-F174 HydrophobicContact CD2-CB 3.85Å; L159-F174 HydrophobicContact CD2-CD1 4.28Å; L159-F174 HydrophobicContact CD2-CG 4.03Å; L159-F174 HydrophobicContact CG-CB 4.49Å; L159-F174 HydrophobicContact CG-CG 4.45Å; L159-F190 HydrophobicContact CD2-CE1 4.45Å
160	Y	98.9	Very high	98	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	142.7	175.3	-73.3	-59.9	0	0	0	111.1	W51 Y52 V53 Y76 H140 A141 V143 T158	W51-Y160 HydrophobicContact CB-CD1 3.5Å; W51-Y160 VanDerWaalsContact CB-CD1 3.5Å; W51-Y160 HydrophobicContact CB-CE1 4.08Å; W51-Y160 HydrophobicContact CB-CG 3.85Å; W51-Y160 HydrophobicContact CD2-CG 4.49Å; W51-Y160 HydrophobicContact CG-CD1 4.35Å; W51-Y160 HydrophobicContact CG-CG 4.25Å; Y52-Y160 CarbonylContact O-C 3.53Å; Y52-Y160 VanDerWaalsContact O-CA 3.27Å; Y52-Y160 WeakPolarHBondContact O-CA 3.36Å; V53-Y160 HydrophobicContact CG2-CD1 3.87Å; V53-Y160 HydrophobicContact CG2-CE1 3.46Å; V53-Y160 VanDerWaalsContact CG2-CE1 3.46Å; Y76-Y160 HydrophobicContact CE2-CE2 4.37Å; Y76-Y160 PolarHBondContact OH-OH 3.33Å; Y76-Y160 VanDerWaalsContact OH-OH 3.08Å; H140-Y160 CarbonylContact C-O 3.59Å; H140-Y160 WeakPolarHBondContact CA-O 3.44Å; H140-Y160 WeakPolarHBondContact CB-O 3.3Å; A141-Y160 HydrophobicContact CB-CD2 4.45Å; A141-Y160 PolarHBondContact N-O 3.02Å; A141-Y160 PolarHBondContact O-N 3.2Å; V143-Y160 HydrophobicContact CB-CD2 4.34Å; V143-Y160 HydrophobicContact CB-CE2 3.99Å; V143-Y160 HydrophobicContact CG2-CD2 3.72Å; V143-Y160 HydrophobicContact CG2-CE2 3.67Å; T158-Y160 HydrophobicContact CG2-CD1 3.82Å; T158-Y160 HydrophobicContact CG2-CD2 4.12Å; T158-Y160 HydrophobicContact CG2-CE1 3.58Å; T158-Y160 HydrophobicContact CG2-CE2 3.88Å; T158-Y160 HydrophobicContact CG2-CG 4.09Å
161	G	98.8	Very high	98.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147	166.9	0	0	0	0	0	111	Y52 Q139 T163	Y52-G161 PolarHBondContact N-O 2.97Å; Y52-G161 PolarHBondContact O-N 2.93Å; Q139-G161 CarbonylContact O-C 3.57Å; Q139-G161 WeakPolarHBondContact O-CA 3.33Å; G161-T163 CarbonylContact C-O 3.55Å
162	R	98.6	Very high	98.4	Very high	63 Å²	63	53.4 Å²	53.4	24%	0.238	26%	0.262	C	S	.	.	S	Bend	trans	-70.1	-23.1	167.6	-70.8	-55.2	-170	171.3	3.5	111.8	Q46 Q48 K50 W51 Y52 Y137 N138 Q139	Q46-R162 PolarHBondContact O-NH2 2.82Å; Q48-R162 VanDerWaalsContact O-CZ 3.32Å; Q48-R162 PolarHBondContact O-NH1 3.22Å; Q48-R162 PolarHBondContact O-NH2 2.95Å; K50-R162 PolarHBondContact O-NH1 2.92Å; W51-R162 HydrophobicContact CE3-CG 4.04Å; W51-R162 HydrophobicContact CH2-CG 4.04Å; W51-R162 VanDerWaalsContact CH2-NE 3.28Å; W51-R162 VanDerWaalsContact CZ2-NH2 3.25Å; W51-R162 HydrophobicContact CZ3-CG 3.64Å; Y52-R162 WeakPolarHBondContact CD2-O 3.31Å; Y52-R162 WeakPolarHBondContact CE2-O 3.43Å; Y137-R162 PolarHBondContact O-NE 2.88Å; Y137-R162 PolarHBondContact O-NH2 2.97Å; N138-R162 WeakPolarHBondContact O-CG 3.33Å; Q139-R162 PolarHBondContact O-N 3.06Å
163	T	98.4	Very high	98.6	Very high	83 Å²	83	52.1 Å²	52.1	51%	0.509	26%	0.261	S	S	.	.	S	Bend	trans	-115.6	170.9	169.5	61.4	0	0	0	0	109.5	G161 E165	G161-T163 CarbonylContact C-O 3.55Å; T163-E165 PolarHBondContact O-N 3.05Å; T163-E165 PolarHBondContact OG1-O 3.44Å
164	K	98.6	Very high	98.6	Very high	36 Å²	36	48.5 Å²	48.5	16%	0.157	24%	0.244	C	C	.	.	S	Bend	trans	-71.8	-13.1	177.7	-57.7	-175.7	-169.4	177.7	0	113.6	Y52 M71 P193 I194 D195 D199	Y52-K164 HydrophobicContact CD1-CG 3.79Å; Y52-K164 HydrophobicContact CD2-CG 4.33Å; Y52-K164 HydrophobicContact CE1-CD 4.39Å; Y52-K164 HydrophobicContact CE1-CG 3.85Å; Y52-K164 HydrophobicContact CE2-CG 4.39Å; Y52-K164 HydrophobicContact CG-CG 4.03Å; M71-K164 HydrophobicContact CE-CB 4.22Å; M71-K164 WeakPolarHBondContact CE-O 3.16Å; M71-K164 HydrophobicContact SD-CB 3.76Å; M71-K164 HydrophobicContact SD-CD 4.27Å; M71-K164 HydrophobicContact SD-CG 3.77Å; K164-P193 HydrophobicContact CB-CB 4.34Å; K164-P193 HydrophobicContact CD-CB 4.12Å; K164-I194 WeakPolarHBondContact CE-O 3.33Å; K164-I194 PolarHBondContact NZ-O 2.99Å; K164-D195 IonicContact NZ-OD1 2.62Å; K164-D195 PolarHBondContact NZ-OD1 3.49Å; K164-D199 WeakPolarHBondContact CE-OD1 3.44Å; K164-D199 VanDerWaalsContact CE-OD2 3.31Å; K164-D199 WeakPolarHBondContact CE-OD2 3.27Å; K164-D199 VanDerWaalsContact NZ-CG 3.35Å; K164-D199 IonicContact NZ-OD1 2.63Å; K164-D199 PolarHBondContact NZ-OD1 3.5Å; K164-D199 IonicContact NZ-OD2 2.83Å; K164-D199 PolarHBondContact NZ-OD2 3.41Å
165	E	97.9	Very high	98.6	Very high	149 Å²	149	48.8 Å²	48.8	70%	0.696	25%	0.248	S	C	*	.			trans	-122	140.2	-176.8	-63.9	-170.4	177.4	0	0	111.3	T163	T163-E165 PolarHBondContact O-N 3.05Å; T163-E165 PolarHBondContact OG1-O 3.44Å
166	L	98.5	Very high	98.6	Very high	20 Å²	20	55.6 Å²	55.6	11%	0.105	27%	0.273	C	S	.	.			trans	-130	152.8	171.7	-67.6	175.9	0	0	0	108.7	V54 H140 L159 L170 K171	V54-L166 HydrophobicContact CB-CD1 3.98Å; V54-L166 HydrophobicContact CB-CG 4.4Å; V54-L166 HydrophobicContact CG1-CB 4.21Å; V54-L166 HydrophobicContact CG1-CD1 3.91Å; V54-L166 HydrophobicContact CG1-CG 4.04Å; V54-L166 HydrophobicContact CG2-CD1 4.11Å; V54-L166 HydrophobicContact CG2-CG 4.18Å; H140-L166 HydrophobicContact CB-CD1 4.13Å; H140-L166 HydrophobicContact CB-CD2 4.04Å; L159-L166 HydrophobicContact CD1-CD1 3.83Å; L159-L166 HydrophobicContact CD2-CD1 3.84Å; L159-L166 HydrophobicContact CG-CD1 3.7Å; L166-L170 HydrophobicContact CB-CB 4.37Å; L166-L170 HydrophobicContact CB-CD1 4.26Å; L166-L170 HydrophobicContact CD2-CD1 3.98Å; L166-K171 VanDerWaalsContact O-CE 3.3Å; L166-K171 WeakPolarHBondContact O-CE 3.32Å
167	T	98.4	Very high	98.6	Very high	84 Å²	84	54.3 Å²	54.3	52%	0.515	27%	0.268	S	S	.	.			trans	-56.2	151.4	175.8	59.9	0	0	0	0	111.7	E169 L170 K171	T167-E169 PolarHBondContact O-N 2.88Å; T167-L170 PolarHBondContact O-N 2.73Å; T167-L170 WeakPolarHBondContact OG1-CG 2.97Å; T167-L170 PolarHBondContact OG1-N 2.84Å; T167-K171 PolarHBondContact O-N 3.3Å
168	S	98.3	Very high	98.6	Very high	85 Å²	85	54.3 Å²	54.3	59%	0.594	27%	0.268	S	S	*	.	H	α-helix	trans	-55.4	-38.3	174.3	-55.9	0	0	0	0	112.6	L170 K171 E172	S168-L170 PolarHBondContact O-N 3.3Å; S168-K171 CarbonylContact O-C 3.54Å; S168-K171 PolarHBondContact O-N 3.33Å; S168-K171 VanDerWaalsContact O-N 3.09Å; S168-E172 WeakPolarHBondContact O-CB 3Å; S168-E172 WeakPolarHBondContact O-CG 3.49Å; S168-E172 PolarHBondContact O-N 3.32Å
169	E	98.4	Very high	98.6	Very high	136 Å²	136	58.8 Å²	58.8	64%	0.636	29%	0.287	S	S	*	.	H	α-helix	trans	-56.3	-47.7	177.4	-174.2	-175.5	167.8	0	0	112.3	T167 K171 E172 N173	T167-E169 PolarHBondContact O-N 2.88Å; E169-K171 VanDerWaalsContact C-N 3.33Å; E169-K171 PolarHBondContact O-N 2.83Å; E169-E172 PolarHBondContact O-N 3.2Å; E169-N173 WeakPolarHBondContact O-CB 3.23Å; E169-N173 PolarHBondContact O-N 2.82Å; E169-N173 PolarHBondContact O-ND2 3.16Å
170	L	98.6	Very high	98.6	Very high	30 Å²	30	62 Å²	62	16%	0.157	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-37.8	176.4	-70.5	173.8	0	0	0	112.5	H140 L166 T167 S168 F174	H140-L170 HydrophobicContact CB-CD1 4.08Å; L166-L170 HydrophobicContact CB-CB 4.37Å; L166-L170 HydrophobicContact CB-CD1 4.26Å; L166-L170 HydrophobicContact CD2-CD1 3.98Å; T167-L170 PolarHBondContact O-N 2.73Å; T167-L170 WeakPolarHBondContact OG1-CG 2.97Å; T167-L170 PolarHBondContact OG1-N 2.84Å; S168-L170 PolarHBondContact O-N 3.3Å; L170-F174 WeakPolarHBondContact O-CB 3.27Å; L170-F174 PolarHBondContact O-N 3.38Å
171	K	98.7	Very high	98.6	Very high	67 Å²	67	62.3 Å²	62.3	29%	0.291	31%	0.312	S	S	.	.	H	α-helix	trans	-68.5	-41.1	176.5	-66	-178.3	-178.6	173.4	0	111.6	L159 L166 T167 S168 E169 F174 I175 F190	L159-K171 HydrophobicContact CD2-CG 4.41Å; L166-K171 VanDerWaalsContact O-CE 3.3Å; L166-K171 WeakPolarHBondContact O-CE 3.32Å; T167-K171 PolarHBondContact O-N 3.3Å; S168-K171 CarbonylContact O-C 3.54Å; S168-K171 PolarHBondContact O-N 3.33Å; S168-K171 VanDerWaalsContact O-N 3.09Å; E169-K171 VanDerWaalsContact C-N 3.33Å; E169-K171 PolarHBondContact O-N 2.83Å; K171-F174 WeakPolarHBondContact O-CB 3.31Å; K171-F174 PolarHBondContact O-N 2.74Å; K171-I175 WeakPolarHBondContact O-CG1 3.46Å; K171-I175 PolarHBondContact O-N 3.38Å; K171-F190 HydrophobicContact CB-CE1 3.68Å; K171-F190 HydrophobicContact CB-CZ 3.84Å; K171-F190 HydrophobicContact CD-CD1 4.1Å; K171-F190 HydrophobicContact CD-CE1 3.96Å; K171-F190 HydrophobicContact CG-CD1 4.2Å; K171-F190 HydrophobicContact CG-CE1 3.64Å; K171-F190 HydrophobicContact CG-CZ 4.3Å
172	E	98.7	Very high	98.6	Very high	112 Å²	112	64.7 Å²	64.7	52%	0.523	34%	0.336	S	S	.	.	H	α-helix	trans	-65.5	-41	175	-74.2	175.5	-165.4	0	0	112	S168 E169 F174 I175 R176	S168-E172 WeakPolarHBondContact O-CB 3Å; S168-E172 WeakPolarHBondContact O-CG 3.49Å; S168-E172 PolarHBondContact O-N 3.32Å; E169-E172 PolarHBondContact O-N 3.2Å; E172-F174 VanDerWaalsContact C-N 3.3Å; E172-F174 PolarHBondContact O-N 3.07Å; E172-I175 PolarHBondContact O-N 3.43Å; E172-R176 WeakPolarHBondContact O-CB 3.43Å; E172-R176 PolarHBondContact O-N 3.21Å
173	N	98.7	Very high	98.6	Very high	51 Å²	51	61.9 Å²	61.9	27%	0.273	33%	0.325	S	S	.	.	H	α-helix	trans	-59.8	-42.4	173.1	-72.2	-20	0	0	0	111.1	E169 R176 F177	E169-N173 WeakPolarHBondContact O-CB 3.23Å; E169-N173 PolarHBondContact O-N 2.82Å; E169-N173 PolarHBondContact O-ND2 3.16Å; N173-R176 PolarHBondContact O-N 2.97Å; N173-R176 PolarHBondContact OD1-NH1 2.7Å; N173-F177 WeakPolarHBondContact O-CB 3.37Å; N173-F177 PolarHBondContact O-N 3.31Å
174	F	98.9	Very high	98.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-41.3	174.2	172	-108.9	0	0	0	113.1	A57 M142 I157 L159 L170 K171 E172 F177 S178 I188 F190	A57-F174 HydrophobicContact CB-CE1 4.25Å; A57-F174 HydrophobicContact CB-CE2 4.39Å; A57-F174 HydrophobicContact CB-CZ 3.66Å; M142-F174 HydrophobicContact CG-CD2 4.36Å; M142-F174 HydrophobicContact SD-CB 4.17Å; M142-F174 HydrophobicContact SD-CD2 3.98Å; I157-F174 HydrophobicContact CB-CE2 3.9Å; I157-F174 HydrophobicContact CG2-CD2 4.24Å; I157-F174 HydrophobicContact CG2-CE2 3.7Å; L159-F174 HydrophobicContact CB-CB 4.38Å; L159-F174 HydrophobicContact CB-CD1 4.24Å; L159-F174 HydrophobicContact CB-CD2 3.68Å; L159-F174 HydrophobicContact CB-CE1 4.45Å; L159-F174 HydrophobicContact CB-CE2 3.91Å; L159-F174 HydrophobicContact CB-CG 3.84Å; L159-F174 HydrophobicContact CB-CZ 4.29Å; L159-F174 HydrophobicContact CD2-CB 3.85Å; L159-F174 HydrophobicContact CD2-CD1 4.28Å; L159-F174 HydrophobicContact CD2-CG 4.03Å; L159-F174 HydrophobicContact CG-CB 4.49Å; L159-F174 HydrophobicContact CG-CG 4.45Å; L170-F174 WeakPolarHBondContact O-CB 3.27Å; L170-F174 PolarHBondContact O-N 3.38Å; K171-F174 WeakPolarHBondContact O-CB 3.31Å; K171-F174 PolarHBondContact O-N 2.74Å; E172-F174 VanDerWaalsContact C-N 3.3Å; E172-F174 PolarHBondContact O-N 3.07Å; F174-F177 PolarHBondContact O-N 3.16Å; F174-S178 WeakPolarHBondContact O-CB 3.11Å; F174-S178 PolarHBondContact O-N 2.86Å; F174-S178 PolarHBondContact O-OG 3.17Å; F174-I188 HydrophobicContact CD1-CG2 4.27Å; F174-I188 HydrophobicContact CE1-CG2 3.76Å; F174-F190 AromaticContact CD1-CE1 3.99Å; F174-F190 HydrophobicContact CD1-CE1 3.99Å; F174-F190 HydrophobicContact CD1-CZ 4.03Å; F174-F190 HydrophobicContact CE1-CE1 4.44Å
175	I	98.8	Very high	98.5	Very high	46 Å²	46	64 Å²	64	24%	0.236	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-48.3	174.5	-68.7	161	0	0	0	110.2	K171 E172 F177 S178 K179 I188 F190	K171-I175 WeakPolarHBondContact O-CG1 3.46Å; K171-I175 PolarHBondContact O-N 3.38Å; E172-I175 PolarHBondContact O-N 3.43Å; I175-F177 VanDerWaalsContact C-N 3.34Å; I175-F177 PolarHBondContact O-N 3.25Å; I175-S178 PolarHBondContact O-N 2.75Å; I175-K179 HydrophobicContact CG2-CD 3.94Å; I175-K179 HydrophobicContact CG2-CG 4.36Å; I175-K179 WeakPolarHBondContact O-CB 3.41Å; I175-K179 WeakPolarHBondContact O-CG 3.45Å; I175-K179 PolarHBondContact O-N 3.2Å; I175-I188 HydrophobicContact CG1-CG2 4.23Å; I175-I188 HydrophobicContact CG2-CD1 4.22Å; I175-F190 HydrophobicContact CD1-CE2 3.94Å; I175-F190 HydrophobicContact CD1-CZ 3.89Å; I175-F190 HydrophobicContact CG1-CE2 4.14Å; I175-F190 HydrophobicContact CG1-CZ 3.89Å
176	R	98.8	Very high	98.4	Very high	149 Å²	149	60.3 Å²	60.3	56%	0.562	32%	0.32	S	S	*	.	H	α-helix	trans	-59.7	-45.2	179.8	-167.5	-175.5	-55.1	109.6	5.7	111.2	E172 N173 K179 S180	E172-R176 WeakPolarHBondContact O-CB 3.43Å; E172-R176 PolarHBondContact O-N 3.21Å; N173-R176 PolarHBondContact O-N 2.97Å; N173-R176 PolarHBondContact OD1-NH1 2.7Å; R176-K179 PolarHBondContact O-N 3.47Å; R176-S180 PolarHBondContact O-N 3.48Å
177	F	98.8	Very high	98.4	Very high	26 Å²	26	60.5 Å²	60.5	11%	0.114	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-47.2	176.2	179.9	-121.4	0	0	0	111.7	V36 V133 M142 I157 N173 F174 I175 K179 S180 L181	V36-F177 HydrophobicContact CG1-CZ 4.5Å; V133-F177 HydrophobicContact CB-CE1 4.49Å; V133-F177 HydrophobicContact CB-CZ 4.5Å; V133-F177 HydrophobicContact CG1-CE1 4.01Å; V133-F177 HydrophobicContact CG1-CE2 4.27Å; V133-F177 HydrophobicContact CG1-CZ 3.75Å; V133-F177 HydrophobicContact CG2-CE1 4.06Å; V133-F177 HydrophobicContact CG2-CZ 4.02Å; M142-F177 HydrophobicContact SD-CB 4.4Å; M142-F177 HydrophobicContact SD-CD1 4.03Å; I157-F177 HydrophobicContact CG1-CE1 4.07Å; I157-F177 HydrophobicContact CG2-CD1 4.03Å; I157-F177 HydrophobicContact CG2-CE1 3.85Å; N173-F177 WeakPolarHBondContact O-CB 3.37Å; N173-F177 PolarHBondContact O-N 3.31Å; F174-F177 PolarHBondContact O-N 3.16Å; I175-F177 VanDerWaalsContact C-N 3.34Å; I175-F177 PolarHBondContact O-N 3.25Å; F177-K179 PolarHBondContact O-N 3.49Å; F177-S180 WeakPolarHBondContact O-CB 3.19Å; F177-S180 PolarHBondContact O-N 3.02Å; F177-S180 VanDerWaalsContact O-N 3.11Å; F177-S180 PolarHBondContact O-OG 3.05Å; F177-L181 HydrophobicContact CE1-CD1 3.91Å; F177-L181 HydrophobicContact CE2-CD1 4.17Å; F177-L181 HydrophobicContact CE2-CD2 4.31Å; F177-L181 HydrophobicContact CE2-CG 4.3Å; F177-L181 HydrophobicContact CZ-CD1 3.71Å; F177-L181 HydrophobicContact CZ-CG 4.34Å; F177-L181 PolarHBondContact O-N 3.49Å
178	S	98.9	Very high	98.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.8	-43.9	178.3	-59.7	0	0	0	0	112.1	A57 F174 I175 S180 L181 L183	A57-S178 WeakPolarHBondContact CB-OG 3.46Å; F174-S178 WeakPolarHBondContact O-CB 3.11Å; F174-S178 PolarHBondContact O-N 2.86Å; F174-S178 PolarHBondContact O-OG 3.17Å; I175-S178 PolarHBondContact O-N 2.75Å; S178-S180 VanDerWaalsContact C-N 3.33Å; S178-S180 PolarHBondContact O-N 3Å; S178-L181 WeakPolarHBondContact O-CB 3.26Å; S178-L181 PolarHBondContact O-N 3.48Å; S178-L181 VanDerWaalsContact O-N 3.11Å; S178-L183 WeakPolarHBondContact O-CB 3.45Å; S178-L183 PolarHBondContact O-N 2.97Å
179	K	98.8	Very high	98.4	Very high	95 Å²	95	53.5 Å²	53.5	41%	0.413	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-36.5	175.1	-72.8	-178.5	175.5	-178.1	0	112.2	I175 R176 F177 L181 G182 L183 E185 I188	I175-K179 HydrophobicContact CG2-CD 3.94Å; I175-K179 HydrophobicContact CG2-CG 4.36Å; I175-K179 WeakPolarHBondContact O-CB 3.41Å; I175-K179 WeakPolarHBondContact O-CG 3.45Å; I175-K179 PolarHBondContact O-N 3.2Å; R176-K179 PolarHBondContact O-N 3.47Å; F177-K179 PolarHBondContact O-N 3.49Å; K179-L181 PolarHBondContact O-N 3.43Å; K179-G182 PolarHBondContact O-N 3.49Å; K179-L183 WeakPolarHBondContact CA-O 3.34Å; K179-E185 IonicContact NZ-OE2 2.73Å; K179-E185 PolarHBondContact NZ-OE2 3.43Å; K179-I188 HydrophobicContact CG-CD1 4.22Å
180	S	98.6	Very high	98.4	Very high	68 Å²	68	50.7 Å²	50.7	48%	0.476	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-22.4	175.1	84	0	0	0	0	113.4	R176 F177 S178 G182	R176-S180 PolarHBondContact O-N 3.48Å; F177-S180 WeakPolarHBondContact O-CB 3.19Å; F177-S180 PolarHBondContact O-N 3.02Å; F177-S180 VanDerWaalsContact O-N 3.11Å; F177-S180 PolarHBondContact O-OG 3.05Å; S178-S180 VanDerWaalsContact C-N 3.33Å; S178-S180 PolarHBondContact O-N 3Å; S180-G182 VanDerWaalsContact C-N 3.32Å
181	L	98.6	Very high	98.4	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.047	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	9.1	174.3	-58.1	-177.4	0	0	0	113	P31 K35 V36 F144 F155 I157 F177 S178 K179	P31-L181 HydrophobicContact CB-CB 4.31Å; P31-L181 HydrophobicContact CB-CD2 3.85Å; P31-L181 HydrophobicContact CG-CB 4.08Å; P31-L181 HydrophobicContact CG-CD1 4.28Å; P31-L181 HydrophobicContact CG-CD2 3.9Å; P31-L181 HydrophobicContact CG-CG 4.29Å; K35-L181 HydrophobicContact CB-CD2 3.99Å; V36-L181 HydrophobicContact CG2-CD2 4.17Å; F144-L181 HydrophobicContact CD2-CD1 4.23Å; F144-L181 HydrophobicContact CE2-CD1 4.34Å; F155-L181 HydrophobicContact CE2-CB 4.38Å; I157-L181 HydrophobicContact CD1-CD1 3.7Å; I157-L181 HydrophobicContact CG1-CD1 3.85Å; F177-L181 HydrophobicContact CE1-CD1 3.91Å; F177-L181 HydrophobicContact CE2-CD1 4.17Å; F177-L181 HydrophobicContact CE2-CD2 4.31Å; F177-L181 HydrophobicContact CE2-CG 4.3Å; F177-L181 HydrophobicContact CZ-CD1 3.71Å; F177-L181 HydrophobicContact CZ-CG 4.34Å; F177-L181 PolarHBondContact O-N 3.49Å; S178-L181 WeakPolarHBondContact O-CB 3.26Å; S178-L181 PolarHBondContact O-N 3.48Å; S178-L181 VanDerWaalsContact O-N 3.11Å; K179-L181 PolarHBondContact O-N 3.43Å
182	G	98.1	Very high	98.4	Very high	49 Å²	49	49.7 Å²	49.7	51%	0.505	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	9	176.1	0	0	0	0	0	114.9	K179 S180	K179-G182 PolarHBondContact O-N 3.49Å; S180-G182 VanDerWaalsContact C-N 3.32Å
183	L	98.5	Very high	98.3	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	26%	0.255	C	S	.	.			trans	-81.9	125.3	177.6	-64	174	0	0	0	111.1	I28 A57 F155 I157 S178 K179 H187	I28-L183 HydrophobicContact CD1-CD2 4Å; A57-L183 HydrophobicContact CB-CD1 3.72Å; F155-L183 HydrophobicContact CE1-CD2 4.37Å; F155-L183 HydrophobicContact CE2-CD1 3.82Å; F155-L183 HydrophobicContact CE2-CD2 3.98Å; F155-L183 HydrophobicContact CE2-CG 3.93Å; F155-L183 HydrophobicContact CZ-CD1 4.24Å; F155-L183 HydrophobicContact CZ-CD2 3.54Å; F155-L183 HydrophobicContact CZ-CG 3.85Å; I157-L183 HydrophobicContact CD1-CD1 3.64Å; S178-L183 WeakPolarHBondContact O-CB 3.45Å; S178-L183 PolarHBondContact O-N 2.97Å; K179-L183 WeakPolarHBondContact CA-O 3.34Å; L183-H187 HydrophobicContact CB-CB 4.35Å; L183-H187 HydrophobicContact CD2-CB 4.2Å
184	P	97.9	Very high	98.2	Very high	53 Å²	53	46 Å²	46	34%	0.344	25%	0.247	S	C	.	.			trans	-73.6	169.4	170.4	33.9	-36.9	0	0	0	110.8	I28 N186 H187	I28-P184 HydrophobicContact CD1-CG 4.11Å; P184-N186 VanDerWaalsContact C-N 3.33Å; P184-N186 WeakPolarHBondContact CB-OD1 3.31Å; P184-N186 VanDerWaalsContact CG-OD1 3.26Å; P184-N186 WeakPolarHBondContact CG-OD1 3.47Å; P184-N186 PolarHBondContact O-N 3.41Å; P184-H187 HydrophobicContact CG-CB 4.3Å; P184-H187 WeakPolarHBondContact O-CB 3.45Å; P184-H187 PolarHBondContact O-N 2.92Å
185	E	97.1	Very high	98	Very high	110 Å²	110	51.2 Å²	51.2	51%	0.514	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-65.9	-32.8	-171.2	-161.2	160.5	143.4	0	0	114.1	K179 H187 I188	K179-E185 IonicContact NZ-OE2 2.73Å; K179-E185 PolarHBondContact NZ-OE2 3.43Å; E185-H187 PolarHBondContact O-N 2.95Å; E185-I188 PolarHBondContact O-N 3.01Å; E185-I188 VanDerWaalsContact O-N 3.1Å
186	N	97.1	Very high	97.9	Very high	73 Å²	73	53.8 Å²	53.8	39%	0.39	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-70.2	-8.4	175.2	67.5	-49.7	0	0	0	113.4	L62 R63 P184	L62-N186 CarbonylContact C-O 3.58Å; L62-N186 WeakPolarHBondContact CA-O 3.5Å; R63-N186 PolarHBondContact N-O 3.04Å; P184-N186 VanDerWaalsContact C-N 3.33Å; P184-N186 WeakPolarHBondContact CB-OD1 3.31Å; P184-N186 VanDerWaalsContact CG-OD1 3.26Å; P184-N186 WeakPolarHBondContact CG-OD1 3.47Å; P184-N186 PolarHBondContact O-N 3.41Å
187	H	98.3	Very high	97.7	Very high	24 Å²	24	48.2 Å²	48.2	11%	0.111	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-98.1	9.9	172	-78.3	-109.1	0	0	0	113	A57 G58 I61 L62 L183 P184 E185	A57-H187 WeakPolarHBondContact CA-O 3.3Å; G58-H187 PolarHBondContact N-O 2.93Å; G58-H187 PolarHBondContact O-ND1 3.38Å; I61-H187 WeakPolarHBondContact O-CA 3.34Å; I61-H187 VanDerWaalsContact O-CG 3.27Å; I61-H187 PolarHBondContact O-ND1 3.4Å; L62-H187 WeakPolarHBondContact CD2-NE2 3.5Å; L183-H187 HydrophobicContact CB-CB 4.35Å; L183-H187 HydrophobicContact CD2-CB 4.2Å; P184-H187 HydrophobicContact CG-CB 4.3Å; P184-H187 WeakPolarHBondContact O-CB 3.45Å; P184-H187 PolarHBondContact O-N 2.92Å; E185-H187 PolarHBondContact O-N 2.95Å
188	I	98.6	Very high	97.5	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122	179.3	-53.5	171.2	0	0	0	108	A57 F174 I175 K179 E185 F190	A57-I188 HydrophobicContact CB-CB 4.36Å; A57-I188 HydrophobicContact CB-CG1 3.94Å; A57-I188 HydrophobicContact CB-CG2 4.32Å; F174-I188 HydrophobicContact CD1-CG2 4.27Å; F174-I188 HydrophobicContact CE1-CG2 3.76Å; I175-I188 HydrophobicContact CG1-CG2 4.23Å; I175-I188 HydrophobicContact CG2-CD1 4.22Å; K179-I188 HydrophobicContact CG-CD1 4.22Å; E185-I188 PolarHBondContact O-N 3.01Å; E185-I188 VanDerWaalsContact O-N 3.1Å; I188-F190 HydrophobicContact CG2-CE2 4.39Å
189	V	98.4	Very high	97	Very high	14 Å²	14	50.1 Å²	50.1	9%	0.085	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.4	-178.3	-56.2	0	0	0	0	110.9	G55 L56 I61 R63	G55-V189 WeakPolarHBondContact CA-O 3.29Å; L56-V189 HydrophobicContact CB-CG2 3.74Å; L56-V189 HydrophobicContact CD2-CG2 4.47Å; L56-V189 PolarHBondContact N-O 3.04Å; L56-V189 WeakPolarHBondContact O-CG2 3.39Å; L56-V189 PolarHBondContact O-N 2.99Å; I61-V189 HydrophobicContact CG2-CG1 4.05Å; I61-V189 HydrophobicContact CG2-CG2 3.78Å; R63-V189 HydrophobicContact CB-CG1 3.84Å; R63-V189 HydrophobicContact CG-CG1 4.25Å
190	F	98.4	Very high	95.3	Very high	77 Å²	77	51.6 Å²	51.6	34%	0.338	32%	0.323	S	S	.	.			trans	-112.9	103.8	170.5	-66.2	-82	0	0	0	107.5	V54 L159 K171 F174 I175 I188	V54-F190 WeakPolarHBondContact O-CD1 3.35Å; L159-F190 HydrophobicContact CD2-CE1 4.45Å; K171-F190 HydrophobicContact CB-CE1 3.68Å; K171-F190 HydrophobicContact CB-CZ 3.84Å; K171-F190 HydrophobicContact CD-CD1 4.1Å; K171-F190 HydrophobicContact CD-CE1 3.96Å; K171-F190 HydrophobicContact CG-CD1 4.2Å; K171-F190 HydrophobicContact CG-CE1 3.64Å; K171-F190 HydrophobicContact CG-CZ 4.3Å; F174-F190 AromaticContact CD1-CE1 3.99Å; F174-F190 HydrophobicContact CD1-CE1 3.99Å; F174-F190 HydrophobicContact CD1-CZ 4.03Å; F174-F190 HydrophobicContact CE1-CE1 4.44Å; I175-F190 HydrophobicContact CD1-CE2 3.94Å; I175-F190 HydrophobicContact CD1-CZ 3.89Å; I175-F190 HydrophobicContact CG1-CE2 4.14Å; I175-F190 HydrophobicContact CG1-CZ 3.89Å; I188-F190 HydrophobicContact CG2-CE2 4.39Å
191	P	98.1	Very high	95.2	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.045	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-60.1	143.8	-175.7	-27.8	37.6	0	0	0	113.2	V53 V54 Q69 M71 P193	V53-P191 HydrophobicContact CG1-CG 4.42Å; V54-P191 VanDerWaalsContact O-CD 3.31Å; V54-P191 WeakPolarHBondContact O-CD 3.48Å; Q69-P191 HydrophobicContact CG-CB 4.12Å; Q69-P191 HydrophobicContact CG-CG 3.97Å; Q69-P191 CarbonylContact O-C 3.47Å; Q69-P191 WeakPolarHBondContact O-CA 3.47Å; Q69-P191 WeakPolarHBondContact O-CB 3.42Å; M71-P191 HydrophobicContact CB-CB 4.13Å; P191-P193 WeakPolarHBondContact O-CD 3.5Å
192	V	97.4	Very high	95	Very high	70 Å²	70	52.9 Å²	52.9	42%	0.424	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-71.1	125.5	179.6	-177.9	0	0	0	0	109.5	P68 Q69 M71	P68-V192 HydrophobicContact CB-CG2 3.79Å; Q69-V192 PolarHBondContact O-N 3.48Å; M71-V192 VanDerWaalsContact CB-O 3.23Å; M71-V192 WeakPolarHBondContact CB-O 3.3Å; M71-V192 PolarHBondContact N-O 3.34Å
193	P	97.6	Very high	94.8	Very high	65 Å²	65	53.2 Å²	53.2	42%	0.422	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-56.3	138	174.4	-25.2	34.6	0	0	0	112.2	M71 K164 P191	M71-P193 HydrophobicContact CE-CB 4.3Å; M71-P193 HydrophobicContact CE-CG 3.92Å; K164-P193 HydrophobicContact CB-CB 4.34Å; K164-P193 HydrophobicContact CD-CB 4.12Å; P191-P193 WeakPolarHBondContact O-CD 3.5Å
194	I	97.1	Very high	94.6	Very high	20 Å²	20	56.1 Å²	56.1	10%	0.103	34%	0.337	C	S	.	.			trans	-138.1	161.7	174.3	62	167	0	0	0	108.9	K70 M71 F91 K164 I198	K70-I194 HydrophobicContact CB-CD1 4.26Å; K70-I194 HydrophobicContact CB-CG2 4.33Å; K70-I194 HydrophobicContact CD-CG2 4.32Å; K70-I194 HydrophobicContact CG-CG2 4.42Å; M71-I194 WeakPolarHBondContact O-CD1 3.39Å; F91-I194 HydrophobicContact CB-CD1 3.44Å; F91-I194 VanDerWaalsContact CB-CD1 3.44Å; F91-I194 HydrophobicContact CD1-CD1 4Å; F91-I194 HydrophobicContact CG-CD1 4.1Å; K164-I194 WeakPolarHBondContact CE-O 3.33Å; K164-I194 PolarHBondContact NZ-O 2.99Å; I194-I198 HydrophobicContact CG1-CD1 3.69Å; I194-I198 HydrophobicContact CG1-CG1 4.18Å; I194-I198 WeakPolarHBondContact O-CD1 3.48Å; I194-I198 WeakPolarHBondContact O-CG1 3.42Å
195	D	94.9	Very high	94.4	Very high	109 Å²	109	56.3 Å²	56.3	58%	0.583	34%	0.336	S	S	*	.			trans	-100.7	-31.6	177	-57.6	-26.2	0	0	0	111.7	K164 C197 I198 D199	K164-D195 IonicContact NZ-OD1 2.62Å; K164-D195 PolarHBondContact NZ-OD1 3.49Å; D195-C197 PolarHBondContact O-N 3.49Å; D195-I198 PolarHBondContact O-N 3.05Å; D195-D199 WeakPolarHBondContact CA-OD2 3.44Å; D195-D199 PolarHBondContact O-N 3.37Å
196	Q	95.1	Very high	94.2	Very high	101 Å²	101	52.7 Å²	52.7	47%	0.472	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	131.7	-175.9	-61.6	83.8	-7.4	0	0	111.3	F91 I198	F91-Q196 HydrophobicContact CB-CB 4.48Å; F91-Q196 HydrophobicContact CD1-CB 4.19Å; F91-Q196 HydrophobicContact CD2-CB 3.81Å; F91-Q196 HydrophobicContact CE1-CB 4.36Å; F91-Q196 HydrophobicContact CE1-CG 4.39Å; F91-Q196 HydrophobicContact CE2-CB 3.99Å; F91-Q196 HydrophobicContact CE2-CG 4.28Å; F91-Q196 HydrophobicContact CG-CB 3.91Å; F91-Q196 HydrophobicContact CZ-CB 4.26Å; F91-Q196 HydrophobicContact CZ-CG 4.18Å; Q196-I198 PolarHBondContact O-N 3.12Å
197	C	94.9	Very high	94	Very high	32 Å²	32	51.2 Å²	51.2	22%	0.216	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	-28.2	177	-51.1	0	0	0	0	116.5	V89 F91 C98 D195	V89-C197 HydrophobicContact CG1-CB 3.92Å; V89-C197 VanDerWaalsContact CG1-O 3.32Å; V89-C197 WeakPolarHBondContact CG1-O 3.47Å; F91-C197 HydrophobicContact CB-CB 4.49Å; C98-C197 WeakPolarHBondContact CA-SG 3.4Å; C98-C197 HydrophobicContact CB-CB 3.63Å; C98-C197 WeakPolarHBondContact CB-SG 3.39Å; C98-C197 VanDerWaalsContact SG-CA 3.57Å; C98-C197 WeakPolarHBondContact SG-CB 3.49Å; C98-C197 CovalentContact SG-SG 2.02Å; C98-C197 PolarHBondContact SG-SG 2.92Å; D195-C197 PolarHBondContact O-N 3.49Å
198	I	95.9	Very high	93.7	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-19.9	-168.3	68.6	172.1	0	0	0	113	K50 Y52 M71 A73 I194 D195 Q196 G200	K50-I198 PolarHBondContact NZ-O 2.85Å; Y52-I198 HydrophobicContact CD1-CD1 3.97Å; Y52-I198 HydrophobicContact CE1-CB 4.3Å; Y52-I198 HydrophobicContact CE1-CD1 3.96Å; Y52-I198 HydrophobicContact CE1-CG1 4.06Å; M71-I198 HydrophobicContact CB-CD1 4.16Å; M71-I198 HydrophobicContact CG-CD1 3.93Å; M71-I198 HydrophobicContact SD-CD1 4.36Å; A73-I198 HydrophobicContact CB-CB 4.02Å; A73-I198 HydrophobicContact CB-CG2 4.25Å; I194-I198 HydrophobicContact CG1-CD1 3.69Å; I194-I198 HydrophobicContact CG1-CG1 4.18Å; I194-I198 WeakPolarHBondContact O-CD1 3.48Å; I194-I198 WeakPolarHBondContact O-CG1 3.42Å; D195-I198 PolarHBondContact O-N 3.05Å; Q196-I198 PolarHBondContact O-N 3.12Å; I198-G200 PolarHBondContact O-N 3.44Å
199	D	88.3	Confident	93.2	Very high	64 Å²	64	57.2 Å²	57.2	34%	0.342	36%	0.361	S	S	.	.			trans	-100.2	67.7	170.4	-57.1	-25.4	0	0	0	109.9	Y52 K164 D195	Y52-D199 WeakPolarHBondContact CE1-OD1 3.46Å; Y52-D199 PolarHBondContact OH-OD1 3.31Å; K164-D199 WeakPolarHBondContact CE-OD1 3.44Å; K164-D199 VanDerWaalsContact CE-OD2 3.31Å; K164-D199 WeakPolarHBondContact CE-OD2 3.27Å; K164-D199 VanDerWaalsContact NZ-CG 3.35Å; K164-D199 IonicContact NZ-OD1 2.63Å; K164-D199 PolarHBondContact NZ-OD1 3.5Å; K164-D199 IonicContact NZ-OD2 2.83Å; K164-D199 PolarHBondContact NZ-OD2 3.41Å; D195-D199 WeakPolarHBondContact CA-OD2 3.44Å; D195-D199 PolarHBondContact O-N 3.37Å
200	G	62.8	Low	92.8	Very high	125 Å²	125	61.1 Å²	61.1	100%	1.289	39%	0.386	S	S	*	.			trans	-64.9	0	155.7	0	0	0	0	0	110.3	K50 I198	K50-G200 PolarHBondContact NZ-O 3.45Å; I198-G200 PolarHBondContact O-N 3.44Å

Retrieved 200 of 200 residues in 133.2 ms (Link to these results)

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