A0A087X4W9_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase

PPIase that catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides and may therefore assist protein folding. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A087X4W9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	G	36.7	Very low	40	Very low	131 Å²	131	133.7 Å²	133.7	100%	1.351	84%	0.836	S	S	*	*				0	138.2	0	0	0	0	0	0	108.8
2	A	40.1	Very low	40.4	Very low	110 Å²	110	142.9 Å²	142.9	91%	0.909	84%	0.844	S	S	*	*			trans	70.4	116.8	165.6	0	0	0	0	0	120
3	Q	37	Very low	40.6	Very low	188 Å²	188	138.1 Å²	138.1	88%	0.879	82%	0.822	S	S	*	*			trans	-74.2	175.6	159.5	-80.2	172.2	-56	0	0	112.8
4	S	40.6	Very low	41.5	Very low	127 Å²	127	140.1 Å²	140.1	89%	0.888	82%	0.824	S	S	*	*			trans	90.2	143.9	151.9	93.9	0	0	0	0	115.5
5	G	38.1	Very low	42.1	Very low	63 Å²	63	142.6 Å²	142.6	65%	0.649	82%	0.821	S	S	*	*			cis	-161.7	154.3	5.5	0	0	0	0	0	108.7
6	S	39	Very low	42.6	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	82%	0.817	S	S	*	*				58.3	108.2	113.7	119.7	0	0	0	0	114.8
7	E	44	Very low	43.2	Very low	168 Å²	168	138.8 Å²	138.8	79%	0.785	82%	0.819	S	S	*	*				98	115.5	92.1	-138.1	177.1	-168.4	0	0	109.2
8	T	40.8	Very low	43.6	Very low	116 Å²	116	139.7 Å²	139.7	71%	0.712	82%	0.819	S	S	*	*				168.6	150.9	90.4	37.2	0	0	0	0	110.4
9	M	37.6	Very low	44.1	Very low	161 Å²	161	140.3 Å²	140.3	79%	0.793	82%	0.818	S	S	*	*			trans	53.3	121.6	147	-99.3	164.7	86.1	0	0	119.3
10	E	42.4	Very low	44.5	Very low	154 Å²	154	138.7 Å²	138.7	72%	0.72	81%	0.813	S	S	*	*				-169	153.3	71.7	-101.8	-72.9	123.8	0	0	111.5
11	L	44	Very low	45	Very low	144 Å²	144	139 Å²	139	75%	0.754	81%	0.811	S	S	*	*			trans	-95.2	127.3	-167.3	-172.5	84	0	0	0	110.9
12	R	44.9	Very low	46	Very low	244 Å²	244	138 Å²	138	92%	0.921	78%	0.782	S	S	*	*			trans	-138.6	91.5	154.8	-73.8	-164.7	171.4	-156.6	-3.1	111.3
13	S	43.1	Very low	46.9	Very low	80 Å²	80	137.6 Å²	137.6	56%	0.559	78%	0.78	S	S	*	*			trans	-72.8	126.7	166.6	-177.6	0	0	0	0	110	F15	S13-F15 VanDerWaalsContact OG-CD2 3.26Å; S13-F15 WeakPolarHBondContact OG-CD2 3.42Å; S13-F15 WeakPolarHBondContact OG-CE2 3.29Å
14	I	53.2	Low	47.9	Very low	166 Å²	166	133 Å²	133	85%	0.851	77%	0.774	S	S	*	*			trans	-105.3	100.9	165.7	-62.1	174.1	0	0	0	106
15	F	49.8	Very low	48.7	Very low	178 Å²	178	130.4 Å²	130.4	78%	0.781	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-81.6	133.3	168.6	-88.1	-84.6	0	0	0	109.6	S13	S13-F15 VanDerWaalsContact OG-CD2 3.26Å; S13-F15 WeakPolarHBondContact OG-CD2 3.42Å; S13-F15 WeakPolarHBondContact OG-CE2 3.29Å
16	P	51.1	Low	49.5	Very low	116 Å²	116	135.9 Å²	135.9	75%	0.753	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75.3	135.3	170.9	30.5	-30.7	0	0	0	110.2	L18	P16-L18 PolarHBondContact O-N 3.49Å
17	A	51.8	Low	49.9	Very low	104 Å²	104	138.4 Å²	138.4	86%	0.86	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-63.9	116.8	176.3	0	0	0	0	0	110.7	L19	A17-L19 PolarHBondContact O-N 3.46Å
18	L	50	Low	50.3	Low	156 Å²	156	135.3 Å²	135.3	82%	0.817	77%	0.77	S	S	*	*			trans	-74.8	104.8	172	-165	76	0	0	0	108.6	P16 C20	P16-L18 PolarHBondContact O-N 3.49Å; L18-C20 VanDerWaalsContact C-N 3.32Å; L18-C20 PolarHBondContact O-N 2.83Å
19	L	53.3	Low	50.9	Low	151 Å²	151	136.3 Å²	136.3	79%	0.791	78%	0.775	S	S	*	*			trans	-78.5	80.8	174.6	-159.1	85.4	0	0	0	109.6	A17 L21	A17-L19 PolarHBondContact O-N 3.46Å; L19-L21 HydrophobicContact CD1-CD1 4.35Å; L19-L21 HydrophobicContact CD2-CD1 4.21Å; L19-L21 HydrophobicContact CG-CD1 4.14Å; L19-L21 PolarHBondContact O-N 2.9Å
20	C	53.2	Low	51.5	Low	107 Å²	107	135.8 Å²	135.8	72%	0.723	78%	0.776	S	S	*	*			trans	-81.8	89.8	165.6	-77.9	0	0	0	0	109.2	L18	L18-C20 VanDerWaalsContact C-N 3.32Å; L18-C20 PolarHBondContact O-N 2.83Å
21	L	55.4	Low	51.9	Low	147 Å²	147	131 Å²	131	77%	0.77	77%	0.768	S	S	*	*			trans	-105.1	101.9	163.6	-92.1	152.9	0	0	0	108.2	L19	L19-L21 HydrophobicContact CD1-CD1 4.35Å; L19-L21 HydrophobicContact CD2-CD1 4.21Å; L19-L21 HydrophobicContact CG-CD1 4.14Å; L19-L21 PolarHBondContact O-N 2.9Å
22	S	56.1	Low	52.3	Low	108 Å²	108	128.8 Å²	128.8	76%	0.755	77%	0.77	S	S	*	*			trans	-59	131.1	178.2	42.6	0	0	0	0	111.4	A24	S22-A24 PolarHBondContact O-N 2.66Å
23	A	59.4	Low	52.8	Low	103 Å²	103	126.6 Å²	126.6	85%	0.851	77%	0.768	S	S	*	*			trans	-66.8	101.3	164.1	0	0	0	0	0	108.3	A25	A23-A25 PolarHBondContact O-N 3.21Å
24	A	58.3	Low	53.7	Low	91 Å²	91	126.1 Å²	126.1	75%	0.752	77%	0.765	S	S	*	*			trans	-69	101.5	168.8	0	0	0	0	0	108.3	S22 L26	S22-A24 PolarHBondContact O-N 2.66Å; A24-L26 PolarHBondContact O-N 3.31Å; A24-L26 VanDerWaalsContact O-N 3.07Å
25	A	56.7	Low	54.4	Low	73 Å²	73	127.1 Å²	127.1	60%	0.603	76%	0.758	S	S	*	*			trans	-65.1	105.5	168.5	0	0	0	0	0	108.9	A23 H27	A23-A25 PolarHBondContact O-N 3.21Å; A25-H27 VanDerWaalsContact C-N 3.31Å; A25-H27 PolarHBondContact O-N 3.37Å; A25-H27 PolarHBondContact O-ND1 2.97Å
26	L	54.7	Low	56.1	Low	178 Å²	178	125.9 Å²	125.9	93%	0.932	75%	0.748	S	S	*	*			trans	-60.8	94.4	165	-89.4	144.1	0	0	0	108.2	A24 S28	A24-L26 PolarHBondContact O-N 3.31Å; A24-L26 VanDerWaalsContact O-N 3.07Å; L26-S28 PolarHBondContact O-N 3.05Å
27	H	47.3	Very low	58.1	Low	162 Å²	162	121 Å²	121	75%	0.75	72%	0.719	S	S	*	*			trans	-72.7	110.2	167.9	-72.7	72.9	0	0	0	107.3	A25 V29	A25-H27 VanDerWaalsContact C-N 3.31Å; A25-H27 PolarHBondContact O-N 3.37Å; A25-H27 PolarHBondContact O-ND1 2.97Å; H27-V29 PolarHBondContact O-N 2.9Å
28	S	52.6	Low	60.2	Low	102 Å²	102	116.3 Å²	116.3	71%	0.713	68%	0.68	S	S	*	*			trans	-61.7	100.8	165.6	-169.7	0	0	0	0	107.6	L26 N30	L26-S28 PolarHBondContact O-N 3.05Å; S28-N30 PolarHBondContact O-N 2.89Å
29	V	54	Low	62.4	Low	138 Å²	138	112.6 Å²	112.6	84%	0.836	66%	0.657	S	S	*	*			trans	-67.8	79.8	164.7	-88	0	0	0	0	108	H27 G31	H27-V29 PolarHBondContact O-N 2.9Å; V29-G31 PolarHBondContact O-N 2.87Å
30	N	50.3	Low	64.5	Low	149 Å²	149	105.4 Å²	105.4	80%	0.797	62%	0.619	S	S	*	*			trans	-72.3	73.7	156	-92	2.6	0	0	0	107.3	S28 A32	S28-N30 PolarHBondContact O-N 2.89Å; N30-A32 VanDerWaalsContact C-N 3.27Å; N30-A32 PolarHBondContact O-N 2.82Å
31	G	50.7	Low	66.6	Low	54 Å²	54	101.5 Å²	101.5	56%	0.557	59%	0.592	S	S	*	*			trans	-65.8	95	161.8	0	0	0	0	0	107.1	V29 F33	V29-G31 PolarHBondContact O-N 2.87Å; G31-F33 PolarHBondContact O-N 2.87Å
32	A	52.6	Low	68.7	Low	97 Å²	97	96.6 Å²	96.6	80%	0.802	57%	0.565	S	S	*	*			trans	-60.6	91.6	161.8	0	0	0	0	0	106.4	N30 S34	N30-A32 VanDerWaalsContact C-N 3.27Å; N30-A32 PolarHBondContact O-N 2.82Å; A32-S34 PolarHBondContact O-N 2.91Å
33	F	55.8	Low	70.7	Confident	198 Å²	198	93.9 Å²	93.9	87%	0.868	54%	0.54	S	S	*	.			trans	-56.2	108.5	167	-92.6	-92.2	0	0	0	105.7	G31 R35	G31-F33 PolarHBondContact O-N 2.87Å; F33-R35 PolarHBondContact O-N 2.96Å
34	S	62	Low	72.6	Confident	71 Å²	71	89 Å²	89	50%	0.497	50%	0.499	S	S	.	.			trans	-57.7	115.8	170.9	64.2	0	0	0	0	105.8	A32 R36	A32-S34 PolarHBondContact O-N 2.91Å; S34-R36 WeakPolarHBondContact O-CG 3.49Å; S34-R36 PolarHBondContact O-N 2.84Å; S34-R36 WeakPolarHBondContact OG-CG 3.37Å; S34-R36 PolarHBondContact OG-NE 3.2Å; S34-R36 VanDerWaalsContact OG-NE 3.09Å
35	R	68.1	Low	74.5	Confident	186 Å²	186	86 Å²	86	70%	0.702	47%	0.469	S	S	*	.			trans	-58.1	107.4	171.3	-66.5	175.1	175.5	-162.2	1.9	107	F33 E212	F33-R35 PolarHBondContact O-N 2.96Å; R35-E212 HydrophobicContact CB-CG 3.79Å; R35-E212 WeakPolarHBondContact CD-OE1 3.48Å; R35-E212 HydrophobicContact CG-CG 3.88Å; R35-E212 WeakPolarHBondContact CG-OE1 3.42Å; R35-E212 IonicContact CZ-OE1 3.18Å; R35-E212 IonicContact NE-OE1 2.87Å; R35-E212 PolarHBondContact NE-OE1 3.49Å; R35-E212 IonicContact NH1-OE1 3.4Å; R35-E212 PolarHBondContact NH1-OE1 2.88Å; R35-E212 IonicContact NH2-OE1 3.97Å
36	R	85.4	Confident	76.5	Confident	152 Å²	152	82.5 Å²	82.5	57%	0.574	44%	0.441	S	S	*	.			trans	-105.1	139.5	-178.7	-74.2	-179.2	-170.8	-173.4	2.2	109.1	S34 V213 W216	S34-R36 WeakPolarHBondContact O-CG 3.49Å; S34-R36 PolarHBondContact O-N 2.84Å; S34-R36 WeakPolarHBondContact OG-CG 3.37Å; S34-R36 PolarHBondContact OG-NE 3.2Å; S34-R36 VanDerWaalsContact OG-NE 3.09Å; R36-V213 PolarHBondContact O-N 3.46Å; R36-V213 VanDerWaalsContact O-N 3.16Å; R36-W216 HydrophobicContact CB-CB 3.72Å; R36-W216 HydrophobicContact CB-CG 4.03Å; R36-W216 WeakPolarHBondContact CD-O 3.34Å
37	G	92.2	Very high	78.6	Confident	15 Å²	15	75.5 Å²	75.5	16%	0.155	40%	0.404	C	S	.	.	S	Bend	trans	158.4	169.8	-177.1	0	0	0	0	0	111.8	V211	G37-V211 WeakPolarHBondContact CA-O 3.26Å
38	P	95	Very high	81.1	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.032	37%	0.369	C	S	.	.			trans	-67.9	147.5	174.4	30.8	-35.5	0	0	0	110.9	F63 V66 L128 W135 V211	P38-F63 HydrophobicContact CB-CB 4.15Å; P38-F63 HydrophobicContact CB-CD1 3.56Å; P38-F63 HydrophobicContact CB-CD2 4.25Å; P38-F63 HydrophobicContact CB-CE1 3.92Å; P38-F63 HydrophobicContact CB-CG 3.73Å; P38-F63 HydrophobicContact CB-CZ 4.38Å; P38-F63 HydrophobicContact CG-CD1 3.71Å; P38-F63 HydrophobicContact CG-CD2 4.16Å; P38-F63 HydrophobicContact CG-CE1 3.51Å; P38-F63 HydrophobicContact CG-CE2 3.96Å; P38-F63 HydrophobicContact CG-CG 4.02Å; P38-F63 HydrophobicContact CG-CZ 3.62Å; P38-V66 HydrophobicContact CB-CG2 4.18Å; P38-L128 HydrophobicContact CB-CD2 4.07Å; P38-L128 HydrophobicContact CG-CD2 4.27Å; P38-W135 HydrophobicContact CG-CH2 4.39Å; P38-V211 PolarHBondContact O-N 3.46Å
39	K	96.5	Very high	83.3	Confident	78 Å²	78	63.7 Å²	63.7	34%	0.339	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.2	173.3	-63.7	-171	-151.3	137.6	0	110.9	T41 E65 P208 F209 V210	K39-T41 PolarHBondContact O-N 3.22Å; K39-E65 WeakPolarHBondContact CD-OE2 3.4Å; K39-E65 WeakPolarHBondContact CE-OE2 3.34Å; K39-E65 IonicContact NZ-OE1 2.77Å; K39-E65 PolarHBondContact NZ-OE1 2.93Å; K39-E65 IonicContact NZ-OE2 3.55Å; K39-E65 PolarHBondContact NZ-OE2 3.48Å; K39-P208 HydrophobicContact CB-CB 4.33Å; K39-P208 HydrophobicContact CD-CB 4.19Å; K39-F209 CarbonylContact C-O 3.51Å; K39-F209 VanDerWaalsContact CA-O 3.31Å; K39-F209 WeakPolarHBondContact CA-O 3.35Å; K39-V210 HydrophobicContact CG-CG2 3.95Å
40	V	98.2	Very high	85.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	114.1	165.4	174	0	0	0	0	108	E42 K43 L62 F63 L171 V205 P208 F209 V211	V40-E42 WeakPolarHBondContact CG1-O 3.19Å; V40-K43 HydrophobicContact CG1-CG 4.05Å; V40-L62 WeakPolarHBondContact CA-O 3.1Å; V40-F63 HydrophobicContact CG2-CD1 4.29Å; V40-F63 HydrophobicContact CG2-CE1 3.94Å; V40-L171 HydrophobicContact CG1-CD1 4.4Å; V40-L171 HydrophobicContact CG2-CD2 4.42Å; V40-V205 HydrophobicContact CG1-CG2 4.43Å; V40-P208 VanDerWaalsContact O-CA 3.24Å; V40-P208 WeakPolarHBondContact O-CA 3.37Å; V40-F209 HydrophobicContact CB-CD1 4.32Å; V40-F209 HydrophobicContact CB-CD2 4.41Å; V40-F209 HydrophobicContact CB-CE1 3.83Å; V40-F209 HydrophobicContact CB-CE2 3.94Å; V40-F209 HydrophobicContact CB-CZ 3.62Å; V40-F209 HydrophobicContact CG1-CE1 3.75Å; V40-F209 HydrophobicContact CG1-CE2 4.43Å; V40-F209 HydrophobicContact CG1-CZ 3.65Å; V40-F209 HydrophobicContact CG2-CE2 3.97Å; V40-F209 HydrophobicContact CG2-CZ 3.99Å; V40-F209 PolarHBondContact N-O 2.84Å; V40-F209 PolarHBondContact O-N 2.83Å; V40-V211 HydrophobicContact CG2-CG2 3.45Å; V40-V211 VanDerWaalsContact CG2-CG2 3.45Å
41	T	98.3	Very high	87.7	Confident	25 Å²	25	52.6 Å²	52.6	15%	0.153	29%	0.285	C	S	.	.			trans	-103.1	-26.1	177.6	58.3	0	0	0	0	112	K39 L62 G64 E65 V205 P208	K39-T41 PolarHBondContact O-N 3.22Å; T41-L62 PolarHBondContact N-O 3.42Å; T41-L62 PolarHBondContact OG1-O 3.25Å; T41-G64 WeakPolarHBondContact OG1-CA 3.27Å; T41-G64 PolarHBondContact OG1-N 3.35Å; T41-E65 HydrophobicContact CG2-CB 4.35Å; T41-E65 HydrophobicContact CG2-CG 3.84Å; T41-V205 WeakPolarHBondContact O-CB 3.5Å; T41-P208 HydrophobicContact CG2-CB 4.35Å; T41-P208 HydrophobicContact CG2-CG 4.47Å
42	E	98.2	Very high	90	Very high	43 Å²	43	53 Å²	53	20%	0.201	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.3	-178.5	-67.2	-62.6	161.8	0	0	109.6	V40 L62 V71 V75 R202	V40-E42 WeakPolarHBondContact CG1-O 3.19Å; E42-L62 HydrophobicContact CB-CB 4.1Å; E42-L62 HydrophobicContact CB-CD1 4.14Å; E42-L62 PolarHBondContact O-N 2.75Å; E42-V71 HydrophobicContact CB-CG1 4.18Å; E42-V71 HydrophobicContact CG-CG1 4.18Å; E42-V75 HydrophobicContact CB-CG2 4.16Å; E42-V75 HydrophobicContact CG-CG2 4.45Å; E42-R202 IonicContact OE1-CZ 3.62Å; E42-R202 IonicContact OE1-NE 3.93Å; E42-R202 IonicContact OE1-NH2 2.71Å; E42-R202 PolarHBondContact OE1-NH2 2.9Å; E42-R202 IonicContact OE2-CZ 3.16Å; E42-R202 IonicContact OE2-NE 2.69Å; E42-R202 PolarHBondContact OE2-NE 2.78Å; E42-R202 IonicContact OE2-NH2 2.87Å; E42-R202 PolarHBondContact OE2-NH2 2.77Å
43	K	98.8	Very high	92.2	Very high	52 Å²	52	55.2 Å²	55.2	23%	0.226	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.4	170.7	-73.4	173.9	-168.9	178.7	0	110.5	V40 V59 I60 L171 R202 I203 V205 F209	V40-K43 HydrophobicContact CG1-CG 4.05Å; K43-V59 HydrophobicContact CD-CG1 4.33Å; K43-I60 CarbonylContact C-O 3.59Å; K43-I60 WeakPolarHBondContact CA-O 3.47Å; K43-L171 HydrophobicContact CD-CD1 4.2Å; K43-L171 HydrophobicContact CG-CD1 4.18Å; K43-R202 CarbonylContact O-C 3.58Å; K43-R202 WeakPolarHBondContact O-CA 3.49Å; K43-I203 HydrophobicContact CB-CB 3.82Å; K43-I203 HydrophobicContact CB-CG2 4.46Å; K43-I203 HydrophobicContact CD-CG2 4.43Å; K43-I203 PolarHBondContact O-N 2.68Å; K43-V205 HydrophobicContact CB-CG2 4.11Å; K43-V205 HydrophobicContact CD-CG2 3.95Å; K43-V205 HydrophobicContact CG-CG2 3.64Å; K43-F209 VanDerWaalsContact CE-CE1 3.5Å
44	V	98.9	Very high	94.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.8	169.5	159.8	0	0	0	0	108.9	F46 V59 I60 L62 F74 V75 A78 G201	V44-F46 HydrophobicContact CG1-CD1 4.14Å; V44-F46 HydrophobicContact CG1-CE1 3.6Å; V44-F46 HydrophobicContact CG1-CZ 3.95Å; V44-V59 WeakPolarHBondContact O-CA 3.44Å; V44-I60 PolarHBondContact N-O 2.9Å; V44-I60 PolarHBondContact O-N 2.95Å; V44-L62 HydrophobicContact CB-CD1 4.25Å; V44-L62 HydrophobicContact CG2-CD1 3.75Å; V44-F74 HydrophobicContact CB-CD1 4.39Å; V44-F74 HydrophobicContact CB-CE1 4.06Å; V44-F74 HydrophobicContact CG1-CD1 4.47Å; V44-F74 HydrophobicContact CG1-CE1 3.86Å; V44-F74 HydrophobicContact CG2-CD1 4.19Å; V44-F74 HydrophobicContact CG2-CE1 4.35Å; V44-V75 HydrophobicContact CG2-CG2 4.06Å; V44-A78 HydrophobicContact CB-CB 4.23Å; V44-A78 HydrophobicContact CG1-CB 3.46Å; V44-A78 VanDerWaalsContact CG1-CB 3.46Å; V44-A78 HydrophobicContact CG2-CB 3.65Å; V44-G201 CarbonylContact C-O 3.47Å; V44-G201 VanDerWaalsContact CA-O 3.25Å; V44-G201 WeakPolarHBondContact CA-O 3.27Å
45	F	98.9	Very high	96	Very high	27 Å²	27	52.8 Å²	52.8	12%	0.118	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	153	169.3	74.3	-86.7	0	0	0	112	D47 R57 I58 V59 S200 G201 I203	F45-D47 WeakPolarHBondContact CE2-OD2 3.48Å; F45-R57 HydrophobicContact CB-CG 4.07Å; F45-I58 CarbonylContact C-O 3.51Å; F45-I58 WeakPolarHBondContact CA-O 3.4Å; F45-V59 HydrophobicContact CB-CG2 4.48Å; F45-S200 VanDerWaalsContact O-CA 3.26Å; F45-S200 WeakPolarHBondContact O-CA 3.26Å; F45-G201 VanDerWaalsContact CD1-O 3.31Å; F45-G201 WeakPolarHBondContact CD1-O 3.37Å; F45-G201 VanDerWaalsContact CE1-CA 3.45Å; F45-G201 PolarHBondContact N-O 3.4Å; F45-G201 PolarHBondContact O-N 2.7Å; F45-I203 HydrophobicContact CB-CD1 3.89Å; F45-I203 HydrophobicContact CB-CG1 4.36Å; F45-I203 HydrophobicContact CD1-CD1 4.16Å; F45-I203 HydrophobicContact CD1-CG1 3.78Å; F45-I203 HydrophobicContact CG-CD1 4.4Å; F45-I203 HydrophobicContact CG-CG1 4.49Å
46	F	98.9	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.5	167.8	-59.9	-36.4	0	0	0	109.5	V44 I48 R57 I58 I60 F74 A78 Y86 F150 I197 N199	V44-F46 HydrophobicContact CG1-CD1 4.14Å; V44-F46 HydrophobicContact CG1-CE1 3.6Å; V44-F46 HydrophobicContact CG1-CZ 3.95Å; F46-I48 HydrophobicContact CB-CD1 3.7Å; F46-I48 HydrophobicContact CB-CG1 4.46Å; F46-R57 CarbonylContact O-C 3.46Å; F46-R57 VanDerWaalsContact O-CA 3.27Å; F46-R57 WeakPolarHBondContact O-CA 3.46Å; F46-I58 HydrophobicContact CB-CB 4.41Å; F46-I58 PolarHBondContact N-O 3.38Å; F46-I58 PolarHBondContact O-N 2.93Å; F46-I60 HydrophobicContact CD2-CD1 3.93Å; F46-I60 HydrophobicContact CE2-CD1 3.53Å; F46-I60 HydrophobicContact CZ-CD1 4.3Å; F46-F74 HydrophobicContact CE2-CE1 4.5Å; F46-F74 AromaticContact CE2-CZ 3.84Å; F46-F74 HydrophobicContact CE2-CZ 3.84Å; F46-F74 AromaticContact CZ-CE1 3.94Å; F46-F74 HydrophobicContact CZ-CE1 3.94Å; F46-F74 HydrophobicContact CZ-CE2 4.26Å; F46-F74 AromaticContact CZ-CZ 3.44Å; F46-F74 HydrophobicContact CZ-CZ 3.44Å; F46-F74 VanDerWaalsContact CZ-CZ 3.44Å; F46-A78 HydrophobicContact CE1-CB 4.34Å; F46-Y86 AromaticContact CE1-CD2 3.91Å; F46-Y86 HydrophobicContact CE1-CD2 3.91Å; F46-Y86 HydrophobicContact CE1-CG 4.39Å; F46-Y86 AromaticContact CZ-CD2 3.93Å; F46-Y86 HydrophobicContact CZ-CD2 3.93Å; F46-Y86 HydrophobicContact CZ-CE2 4.43Å; F46-Y86 HydrophobicContact CZ-CG 4.49Å; F46-F150 HydrophobicContact CD2-CZ 4.38Å; F46-F150 HydrophobicContact CE2-CE1 4.29Å; F46-F150 AromaticContact CE2-CE2 3.84Å; F46-F150 HydrophobicContact CE2-CE2 3.84Å; F46-F150 AromaticContact CE2-CZ 3.46Å; F46-F150 HydrophobicContact CE2-CZ 3.46Å; F46-F150 VanDerWaalsContact CE2-CZ 3.46Å; F46-F150 HydrophobicContact CZ-CE1 4.27Å; F46-F150 AromaticContact CZ-CZ 3.87Å; F46-F150 HydrophobicContact CZ-CZ 3.87Å; F46-I197 HydrophobicContact CB-CG1 4.46Å; F46-I197 HydrophobicContact CB-CG2 3.96Å; F46-I197 HydrophobicContact CD1-CD1 4.2Å; F46-I197 HydrophobicContact CD1-CG2 3.69Å; F46-I197 HydrophobicContact CD2-CD1 4.12Å; F46-I197 HydrophobicContact CE1-CD1 4.33Å; F46-I197 HydrophobicContact CE1-CG2 4.45Å; F46-I197 HydrophobicContact CE2-CD1 4.23Å; F46-I197 HydrophobicContact CG-CD1 4.11Å; F46-I197 HydrophobicContact CG-CG1 4.38Å; F46-I197 HydrophobicContact CG-CG2 4.01Å; F46-I197 HydrophobicContact CZ-CD1 4.33Å; F46-N199 WeakPolarHBondContact CA-O 3.33Å
47	D	98.9	Very high	98.1	Very high	32 Å²	32	43.6 Å²	43.6	17%	0.171	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.2	165.7	-62.8	-38.8	0	0	0	108.1	F45 R57 I197 V198 N199	F45-D47 WeakPolarHBondContact CE2-OD2 3.48Å; D47-R57 VanDerWaalsContact CG-NH2 3.27Å; D47-R57 IonicContact OD1-CZ 3.19Å; D47-R57 IonicContact OD1-NE 2.66Å; D47-R57 PolarHBondContact OD1-NE 2.84Å; D47-R57 IonicContact OD1-NH2 2.9Å; D47-R57 PolarHBondContact OD1-NH2 3.43Å; D47-R57 IonicContact OD2-CZ 3.81Å; D47-R57 IonicContact OD2-NE 3.95Å; D47-R57 IonicContact OD2-NH2 2.83Å; D47-R57 PolarHBondContact OD2-NH2 3.13Å; D47-I197 CarbonylContact O-C 3.59Å; D47-V198 HydrophobicContact CB-CG2 4.06Å; D47-V198 VanDerWaalsContact O-CG2 3.29Å; D47-V198 WeakPolarHBondContact O-CG2 3.39Å; D47-V198 PolarHBondContact O-N 2.87Å; D47-N199 HydrophobicContact CB-CB 3.94Å; D47-N199 PolarHBondContact N-O 3.33Å; D47-N199 PolarHBondContact O-N 2.71Å; D47-N199 WeakPolarHBondContact OD2-CB 3.26Å; D47-N199 PolarHBondContact OD2-ND2 2.69Å
48	I	98.9	Very high	98.4	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.8	-168.4	-56.2	-52.6	0	0	0	110.8	F46 V50 V55 G56 I58 F91 V176 I180 V196 I197	F46-I48 HydrophobicContact CB-CD1 3.7Å; F46-I48 HydrophobicContact CB-CG1 4.46Å; I48-V50 HydrophobicContact CG2-CG2 4.43Å; I48-V55 HydrophobicContact CB-CG2 3.79Å; I48-V55 HydrophobicContact CG2-CG2 3.49Å; I48-V55 VanDerWaalsContact CG2-CG2 3.49Å; I48-V55 WeakPolarHBondContact O-CG2 3.47Å; I48-V55 PolarHBondContact O-N 3.4Å; I48-G56 PolarHBondContact N-O 2.78Å; I48-I58 HydrophobicContact CD1-CD1 4.3Å; I48-I58 HydrophobicContact CG1-CD1 3.87Å; I48-I58 HydrophobicContact CG1-CG1 4.2Å; I48-F91 HydrophobicContact CD1-CE2 3.86Å; I48-F91 HydrophobicContact CD1-CZ 4.48Å; I48-V176 HydrophobicContact CB-CG1 3.73Å; I48-V176 HydrophobicContact CG1-CG1 3.74Å; I48-V176 HydrophobicContact CG2-CG1 4.08Å; I48-I180 HydrophobicContact CG1-CD1 4.37Å; I48-I180 HydrophobicContact CG2-CD1 3.78Å; I48-I180 HydrophobicContact CG2-CG1 4.11Å; I48-V196 WeakPolarHBondContact CA-O 3.47Å; I48-I197 HydrophobicContact CD1-CB 4.33Å; I48-I197 HydrophobicContact CD1-CG1 3.8Å
49	T	98.9	Very high	98.6	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.086	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150.9	159.2	60.7	0	0	0	0	111.7	H53 E54 C195 V196 V198	T49-H53 CarbonylContact C-O 3.48Å; T49-H53 WeakPolarHBondContact CA-O 3.37Å; T49-H53 WeakPolarHBondContact CB-O 3.42Å; T49-E54 HydrophobicContact CG2-CG 4.04Å; T49-C195 CarbonylContact O-C 3.52Å; T49-C195 WeakPolarHBondContact O-CA 3.31Å; T49-V196 PolarHBondContact N-O 2.97Å; T49-V196 PolarHBondContact O-N 3.07Å; T49-V198 HydrophobicContact CG2-CB 4.3Å; T49-V198 HydrophobicContact CG2-CG1 3.48Å; T49-V198 VanDerWaalsContact CG2-CG1 3.48Å; T49-V198 HydrophobicContact CG2-CG2 3.88Å; T49-V198 VanDerWaalsContact OG1-CG1 3.26Å; T49-V198 WeakPolarHBondContact OG1-CG1 3.43Å
50	V	98.8	Very high	98.7	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.4	168.2	176.7	0	0	0	0	107.3	I48 G52 H53 V55 T179 I180 Q183 T193 E194	I48-V50 HydrophobicContact CG2-CG2 4.43Å; V50-G52 PolarHBondContact O-N 3.28Å; V50-H53 PolarHBondContact N-O 2.91Å; V50-H53 PolarHBondContact O-N 3.38Å; V50-V55 HydrophobicContact CB-CG1 3.89Å; V50-V55 HydrophobicContact CG2-CB 4.47Å; V50-V55 HydrophobicContact CG2-CG1 3.9Å; V50-V55 HydrophobicContact CG2-CG2 3.8Å; V50-T179 HydrophobicContact CG2-CG2 4.36Å; V50-I180 HydrophobicContact CG2-CG1 4.38Å; V50-Q183 HydrophobicContact CG1-CG 4.18Å; V50-T193 HydrophobicContact CG1-CG2 3.68Å; V50-E194 CarbonylContact C-O 3.44Å; V50-E194 WeakPolarHBondContact CA-O 3.49Å
51	G	98.3	Very high	98.7	Very high	41 Å²	41	39.8 Å²	39.8	42%	0.423	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	28.5	-176.1	0	0	0	0	0	113.2	H53 T193 E194	G51-H53 VanDerWaalsContact C-N 3.3Å; G51-H53 PolarHBondContact O-CD2 3.04Å; G51-H53 PolarHBondContact O-N 2.89Å; G51-T193 VanDerWaalsContact CA-CG2 3.4Å; G51-T193 VanDerWaalsContact N-CG2 3.31Å; G51-E194 PolarHBondContact N-O 3.45Å
52	G	98.4	Very high	98.7	Very high	63 Å²	63	38.6 Å²	38.6	65%	0.649	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	-3.8	-176.3	0	0	0	0	0	115.3	V50	V50-G52 PolarHBondContact O-N 3.28Å
53	H	98.5	Very high	98.7	Very high	142 Å²	142	36.6 Å²	36.6	66%	0.657	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.6	176.3	-61.3	-76.1	0	0	0	111.1	T49 V50 G51 V55	T49-H53 CarbonylContact C-O 3.48Å; T49-H53 WeakPolarHBondContact CA-O 3.37Å; T49-H53 WeakPolarHBondContact CB-O 3.42Å; V50-H53 PolarHBondContact N-O 2.91Å; V50-H53 PolarHBondContact O-N 3.38Å; G51-H53 VanDerWaalsContact C-N 3.3Å; G51-H53 PolarHBondContact O-CD2 3.04Å; G51-H53 PolarHBondContact O-N 2.89Å; H53-V55 PolarHBondContact O-N 2.87Å
54	E	98.6	Very high	98.7	Very high	171 Å²	171	34.8 Å²	34.8	80%	0.799	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	126.5	175.3	-66	-175.6	165.6	0	0	110.7	T49	T49-E54 HydrophobicContact CG2-CG 4.04Å
55	V	98.6	Very high	98.6	Very high	48 Å²	48	40.1 Å²	40.1	29%	0.291	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-7.4	179.9	-66.2	0	0	0	0	113	I48 V50 H53 V176 T179	I48-V55 HydrophobicContact CB-CG2 3.79Å; I48-V55 HydrophobicContact CG2-CG2 3.49Å; I48-V55 VanDerWaalsContact CG2-CG2 3.49Å; I48-V55 WeakPolarHBondContact O-CG2 3.47Å; I48-V55 PolarHBondContact O-N 3.4Å; V50-V55 HydrophobicContact CB-CG1 3.89Å; V50-V55 HydrophobicContact CG2-CB 4.47Å; V50-V55 HydrophobicContact CG2-CG1 3.9Å; V50-V55 HydrophobicContact CG2-CG2 3.8Å; H53-V55 PolarHBondContact O-N 2.87Å; V55-V176 HydrophobicContact CG2-CG1 3.81Å; V55-T179 HydrophobicContact CB-CG2 4.31Å; V55-T179 HydrophobicContact CG1-CG2 4.09Å
56	G	98.8	Very high	98.6	Very high	35 Å²	35	40 Å²	40	36%	0.361	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	128.7	-165.1	172.1	0	0	0	0	0	113.8	I48	I48-G56 PolarHBondContact N-O 2.78Å
57	R	98.9	Very high	98.6	Very high	109 Å²	109	40 Å²	40	41%	0.411	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.8	-176	175.9	172	-72.5	-177.1	-1.5	111.3	F45 F46 D47 V59 G173	F45-R57 HydrophobicContact CB-CG 4.07Å; F46-R57 CarbonylContact O-C 3.46Å; F46-R57 VanDerWaalsContact O-CA 3.27Å; F46-R57 WeakPolarHBondContact O-CA 3.46Å; D47-R57 VanDerWaalsContact CG-NH2 3.27Å; D47-R57 IonicContact OD1-CZ 3.19Å; D47-R57 IonicContact OD1-NE 2.66Å; D47-R57 PolarHBondContact OD1-NE 2.84Å; D47-R57 IonicContact OD1-NH2 2.9Å; D47-R57 PolarHBondContact OD1-NH2 3.43Å; D47-R57 IonicContact OD2-CZ 3.81Å; D47-R57 IonicContact OD2-NE 3.95Å; D47-R57 IonicContact OD2-NH2 2.83Å; D47-R57 PolarHBondContact OD2-NH2 3.13Å; R57-V59 HydrophobicContact CG-CG2 4.05Å; R57-G173 VanDerWaalsContact O-CA 3.3Å; R57-G173 WeakPolarHBondContact O-CA 3.3Å
58	I	98.9	Very high	98.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.7	166.1	-57.8	169.5	0	0	0	107.7	F45 F46 I48 I60 I152 V170 V176 V177 I180	F45-I58 CarbonylContact C-O 3.51Å; F45-I58 WeakPolarHBondContact CA-O 3.4Å; F46-I58 HydrophobicContact CB-CB 4.41Å; F46-I58 PolarHBondContact N-O 3.38Å; F46-I58 PolarHBondContact O-N 2.93Å; I48-I58 HydrophobicContact CD1-CD1 4.3Å; I48-I58 HydrophobicContact CG1-CD1 3.87Å; I48-I58 HydrophobicContact CG1-CG1 4.2Å; I58-I60 HydrophobicContact CG2-CD1 4.44Å; I58-I60 HydrophobicContact CG2-CG1 3.95Å; I58-I152 HydrophobicContact CD1-CD1 4.48Å; I58-I152 HydrophobicContact CG2-CD1 4.39Å; I58-V170 HydrophobicContact CG2-CG1 3.93Å; I58-V170 HydrophobicContact CG2-CG2 4.01Å; I58-V176 HydrophobicContact CD1-CB 4.44Å; I58-V176 HydrophobicContact CD1-CG1 4.18Å; I58-V176 HydrophobicContact CG1-CB 3.87Å; I58-V176 HydrophobicContact CG1-CG1 3.94Å; I58-V177 HydrophobicContact CD1-CG2 3.69Å; I58-V177 HydrophobicContact CG1-CG2 4.08Å; I58-V177 HydrophobicContact CG2-CG2 4.34Å; I58-I180 HydrophobicContact CD1-CD1 4.34Å
59	V	98.9	Very high	98.6	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.115	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.7	171.9	-178.8	0	0	0	0	109.2	K43 V44 F45 R57 V170 L171 D172 I203	K43-V59 HydrophobicContact CD-CG1 4.33Å; V44-V59 WeakPolarHBondContact O-CA 3.44Å; F45-V59 HydrophobicContact CB-CG2 4.48Å; R57-V59 HydrophobicContact CG-CG2 4.05Å; V59-V170 CarbonylContact O-C 3.54Å; V59-V170 WeakPolarHBondContact O-CA 3.37Å; V59-L171 PolarHBondContact O-N 2.61Å; V59-D172 HydrophobicContact CB-CB 4.1Å; V59-D172 HydrophobicContact CG2-CB 4.31Å; V59-D172 PolarHBondContact N-O 2.88Å; V59-D172 PolarHBondContact O-N 3.03Å; V59-I203 HydrophobicContact CG1-CD1 4.1Å; V59-I203 HydrophobicContact CG2-CD1 4.2Å
60	I	98.9	Very high	98.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.9	-177	-54.3	171.8	0	0	0	108.6	K43 V44 F46 I58 L62 F74 V136 I152 V170	K43-I60 CarbonylContact C-O 3.59Å; K43-I60 WeakPolarHBondContact CA-O 3.47Å; V44-I60 PolarHBondContact N-O 2.9Å; V44-I60 PolarHBondContact O-N 2.95Å; F46-I60 HydrophobicContact CD2-CD1 3.93Å; F46-I60 HydrophobicContact CE2-CD1 3.53Å; F46-I60 HydrophobicContact CZ-CD1 4.3Å; I58-I60 HydrophobicContact CG2-CD1 4.44Å; I58-I60 HydrophobicContact CG2-CG1 3.95Å; I60-L62 HydrophobicContact CG2-CD2 3.69Å; I60-L62 HydrophobicContact CG2-CG 4.46Å; I60-F74 HydrophobicContact CD1-CE1 4.13Å; I60-F74 HydrophobicContact CD1-CZ 4Å; I60-V136 HydrophobicContact CD1-CG2 4.33Å; I60-V136 HydrophobicContact CG1-CG2 4.42Å; I60-V136 HydrophobicContact CG2-CB 4.33Å; I60-V136 HydrophobicContact CG2-CG2 3.72Å; I60-I152 HydrophobicContact CD1-CD1 4.31Å; I60-V170 HydrophobicContact CG1-CG2 4.34Å
61	G	98.8	Very high	98.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136	166.2	0	0	0	0	0	110.3	G168 K169	G61-G168 CarbonylContact O-C 3.52Å; G61-G168 WeakPolarHBondContact O-CA 3.43Å; G61-K169 PolarHBondContact N-O 3.24Å; G61-K169 PolarHBondContact O-N 3.36Å
62	L	98.8	Very high	98.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141	-172	-57.2	173.2	0	0	0	111	V40 T41 E42 V44 I60 G64 V71 F74 V75 F167	V40-L62 WeakPolarHBondContact CA-O 3.1Å; T41-L62 PolarHBondContact N-O 3.42Å; T41-L62 PolarHBondContact OG1-O 3.25Å; E42-L62 HydrophobicContact CB-CB 4.1Å; E42-L62 HydrophobicContact CB-CD1 4.14Å; E42-L62 PolarHBondContact O-N 2.75Å; V44-L62 HydrophobicContact CB-CD1 4.25Å; V44-L62 HydrophobicContact CG2-CD1 3.75Å; I60-L62 HydrophobicContact CG2-CD2 3.69Å; I60-L62 HydrophobicContact CG2-CG 4.46Å; L62-G64 PolarHBondContact O-N 3.2Å; L62-V71 HydrophobicContact CB-CB 4.48Å; L62-V71 HydrophobicContact CB-CG1 3.79Å; L62-V71 HydrophobicContact CB-CG2 3.92Å; L62-V71 HydrophobicContact CD1-CG1 4.14Å; L62-F74 HydrophobicContact CD1-CD1 3.95Å; L62-F74 HydrophobicContact CD2-CD1 3.79Å; L62-F74 HydrophobicContact CD2-CE1 4.09Å; L62-V75 HydrophobicContact CD1-CG2 3.48Å; L62-V75 VanDerWaalsContact CD1-CG2 3.48Å; L62-F167 HydrophobicContact CD2-CD2 3.71Å; L62-F167 HydrophobicContact CD2-CE2 3.71Å
63	F	98.4	Very high	98.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.			trans	-99	62.5	-168.3	-51.4	-48.7	0	0	0	112.7	P38 V40 E65 V66 V67 L128 W135 F167 K169 V211	P38-F63 HydrophobicContact CB-CB 4.15Å; P38-F63 HydrophobicContact CB-CD1 3.56Å; P38-F63 HydrophobicContact CB-CD2 4.25Å; P38-F63 HydrophobicContact CB-CE1 3.92Å; P38-F63 HydrophobicContact CB-CG 3.73Å; P38-F63 HydrophobicContact CB-CZ 4.38Å; P38-F63 HydrophobicContact CG-CD1 3.71Å; P38-F63 HydrophobicContact CG-CD2 4.16Å; P38-F63 HydrophobicContact CG-CE1 3.51Å; P38-F63 HydrophobicContact CG-CE2 3.96Å; P38-F63 HydrophobicContact CG-CG 4.02Å; P38-F63 HydrophobicContact CG-CZ 3.62Å; V40-F63 HydrophobicContact CG2-CD1 4.29Å; V40-F63 HydrophobicContact CG2-CE1 3.94Å; F63-E65 VanDerWaalsContact C-N 3.26Å; F63-E65 PolarHBondContact O-N 3.04Å; F63-V66 HydrophobicContact CB-CB 4.32Å; F63-V66 HydrophobicContact CB-CG2 4.33Å; F63-V66 PolarHBondContact O-N 2.87Å; F63-V67 PolarHBondContact O-N 3.18Å; F63-L128 HydrophobicContact CB-CD1 4.02Å; F63-L128 HydrophobicContact CD2-CD1 3.14Å; F63-L128 HydrophobicContact CE2-CD1 3.8Å; F63-L128 HydrophobicContact CG-CD1 3.87Å; F63-W135 AromaticContact CE2-CE3 4Å; F63-W135 HydrophobicContact CE2-CE3 4Å; F63-W135 HydrophobicContact CE2-CH2 4.47Å; F63-W135 AromaticContact CE2-CZ3 3.54Å; F63-W135 HydrophobicContact CE2-CZ3 3.54Å; F63-W135 HydrophobicContact CZ-CZ3 4.01Å; F63-F167 VanDerWaalsContact CD2-O 3.3Å; F63-F167 WeakPolarHBondContact CD2-O 3.29Å; F63-F167 PolarHBondContact N-O 2.89Å; F63-K169 HydrophobicContact CE2-CB 4.44Å; F63-K169 HydrophobicContact CZ-CB 3.81Å; F63-V211 HydrophobicContact CE1-CB 4.39Å; F63-V211 HydrophobicContact CE1-CG2 4.36Å
64	G	98.1	Very high	98.6	Very high	15 Å²	15	36.2 Å²	36.2	16%	0.155	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.7	-171.4	0	0	0	0	0	115.3	T41 L62 V66 P68	T41-G64 WeakPolarHBondContact OG1-CA 3.27Å; T41-G64 PolarHBondContact OG1-N 3.35Å; L62-G64 PolarHBondContact O-N 3.2Å; G64-V66 VanDerWaalsContact C-N 3.31Å; G64-P68 WeakPolarHBondContact O-CA 3.3Å; G64-P68 WeakPolarHBondContact O-CB 3.34Å; G64-P68 WeakPolarHBondContact O-CD 3.15Å
65	E	97.4	Very high	98.7	Very high	111 Å²	111	28.9 Å²	28.9	52%	0.519	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23	168.7	-81.2	-179.8	-163.4	0	0	112.3	K39 T41 F63	K39-E65 WeakPolarHBondContact CD-OE2 3.4Å; K39-E65 WeakPolarHBondContact CE-OE2 3.34Å; K39-E65 IonicContact NZ-OE1 2.77Å; K39-E65 PolarHBondContact NZ-OE1 2.93Å; K39-E65 IonicContact NZ-OE2 3.55Å; K39-E65 PolarHBondContact NZ-OE2 3.48Å; T41-E65 HydrophobicContact CG2-CB 4.35Å; T41-E65 HydrophobicContact CG2-CG 3.84Å; F63-E65 VanDerWaalsContact C-N 3.26Å; F63-E65 PolarHBondContact O-N 3.04Å
66	V	97.9	Very high	98.7	Very high	26 Å²	26	26.7 Å²	26.7	16%	0.158	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-41.7	-175.1	-172.2	0	0	0	0	111.7	P38 F63 G64 N125 K127 L128	P38-V66 HydrophobicContact CB-CG2 4.18Å; F63-V66 HydrophobicContact CB-CB 4.32Å; F63-V66 HydrophobicContact CB-CG2 4.33Å; F63-V66 PolarHBondContact O-N 2.87Å; G64-V66 VanDerWaalsContact C-N 3.31Å; V66-N125 PolarHBondContact O-ND2 2.78Å; V66-K127 HydrophobicContact CG1-CB 4.12Å; V66-K127 HydrophobicContact CG1-CD 4.11Å; V66-L128 HydrophobicContact CG1-CD1 4.34Å; V66-L128 HydrophobicContact CG1-CD2 3.88Å; V66-L128 HydrophobicContact CG1-CG 3.9Å; V66-L128 HydrophobicContact CG2-CD2 4.36Å
67	V	98.6	Very high	98.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.			trans	-136.9	63.7	-176.5	-76.7	0	0	0	0	110.9	F63 L69 T70 V71 E124 N125 V165 F167	F63-V67 PolarHBondContact O-N 3.18Å; V67-L69 VanDerWaalsContact C-N 3.33Å; V67-L69 PolarHBondContact O-N 3.31Å; V67-T70 PolarHBondContact O-N 2.81Å; V67-V71 HydrophobicContact CG2-CG2 4.13Å; V67-V71 WeakPolarHBondContact O-CB 3.33Å; V67-V71 VanDerWaalsContact O-CG2 3.31Å; V67-V71 WeakPolarHBondContact O-CG2 3.24Å; V67-V71 PolarHBondContact O-N 3.49Å; V67-E124 VanDerWaalsContact C-CD 3.43Å; V67-E124 VanDerWaalsContact C-OE1 3.23Å; V67-E124 WeakPolarHBondContact CA-OE1 3.41Å; V67-E124 VanDerWaalsContact CA-OE2 3.23Å; V67-E124 WeakPolarHBondContact CA-OE2 3.22Å; V67-E124 HydrophobicContact CB-CG 4.47Å; V67-E124 VanDerWaalsContact CB-OE2 3.27Å; V67-E124 WeakPolarHBondContact CB-OE2 3.48Å; V67-E124 HydrophobicContact CG1-CB 4.33Å; V67-E124 HydrophobicContact CG1-CG 4.24Å; V67-N125 WeakPolarHBondContact CG1-ND2 3.46Å; V67-V165 HydrophobicContact CG1-CG1 3.89Å; V67-F167 HydrophobicContact CG2-CB 3.62Å
68	P	98.7	Very high	98.7	Very high	68 Å²	68	19.9 Å²	19.9	44%	0.442	12%	0.117	S	C	.	.	H	α-helix	trans	-56.3	-37.4	-176	20.6	-33.4	0	0	0	114.8	G64 S72 E124	G64-P68 WeakPolarHBondContact O-CA 3.3Å; G64-P68 WeakPolarHBondContact O-CB 3.34Å; G64-P68 WeakPolarHBondContact O-CD 3.15Å; P68-S72 WeakPolarHBondContact O-CB 3.39Å; P68-S72 PolarHBondContact O-N 2.84Å; P68-E124 WeakPolarHBondContact CD-OE1 3.26Å; P68-E124 VanDerWaalsContact CG-OE1 3.3Å; P68-E124 WeakPolarHBondContact CG-OE1 3.29Å
69	L	98.8	Very high	98.7	Very high	95 Å²	95	22.5 Å²	22.5	50%	0.497	13%	0.133	S	C	.	.	H	α-helix	trans	-70.7	-45.9	-179.2	-60.5	177.2	0	0	0	110.9	V67 V71 S72 N73 Y117 E124	V67-L69 VanDerWaalsContact C-N 3.33Å; V67-L69 PolarHBondContact O-N 3.31Å; L69-V71 VanDerWaalsContact C-N 3.32Å; L69-V71 PolarHBondContact O-N 3.33Å; L69-S72 PolarHBondContact O-N 2.94Å; L69-N73 WeakPolarHBondContact O-CB 3.29Å; L69-N73 PolarHBondContact O-N 2.85Å; L69-Y117 HydrophobicContact CB-CE2 4.35Å; L69-Y117 PolarHBondContact O-OH 3.3Å; L69-E124 PolarHBondContact N-OE1 2.97Å; L69-E124 PolarHBondContact N-OE2 2.96Å
70	T	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-43	178	-50.1	0	0	0	0	110.7	V67 N73 F74 F121 E124 M138 V165 F167	V67-T70 PolarHBondContact O-N 2.81Å; T70-N73 PolarHBondContact O-N 2.83Å; T70-F74 PolarHBondContact O-N 2.79Å; T70-F121 HydrophobicContact CG2-CZ 4.37Å; T70-E124 WeakPolarHBondContact CB-OE2 3.31Å; T70-E124 PolarHBondContact N-OE2 2.96Å; T70-E124 PolarHBondContact OG1-OE2 3.32Å; T70-M138 HydrophobicContact CG2-CG 3.6Å; T70-M138 HydrophobicContact CG2-SD 3.8Å; T70-V165 HydrophobicContact CG2-CG1 4.2Å; T70-F167 HydrophobicContact CG2-CB 3.64Å; T70-F167 HydrophobicContact CG2-CD1 3.75Å; T70-F167 HydrophobicContact CG2-CD2 4.47Å; T70-F167 HydrophobicContact CG2-CG 3.7Å
71	V	98.9	Very high	98.6	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.03	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-43.8	177.3	169.1	0	0	0	0	111.7	E42 L62 V67 L69 N73 F74 V75 F167	E42-V71 HydrophobicContact CB-CG1 4.18Å; E42-V71 HydrophobicContact CG-CG1 4.18Å; L62-V71 HydrophobicContact CB-CB 4.48Å; L62-V71 HydrophobicContact CB-CG1 3.79Å; L62-V71 HydrophobicContact CB-CG2 3.92Å; L62-V71 HydrophobicContact CD1-CG1 4.14Å; V67-V71 HydrophobicContact CG2-CG2 4.13Å; V67-V71 WeakPolarHBondContact O-CB 3.33Å; V67-V71 VanDerWaalsContact O-CG2 3.31Å; V67-V71 WeakPolarHBondContact O-CG2 3.24Å; V67-V71 PolarHBondContact O-N 3.49Å; L69-V71 VanDerWaalsContact C-N 3.32Å; L69-V71 PolarHBondContact O-N 3.33Å; V71-N73 VanDerWaalsContact C-N 3.34Å; V71-N73 PolarHBondContact O-N 2.89Å; V71-F74 PolarHBondContact O-N 2.95Å; V71-V75 HydrophobicContact CG1-CG2 4.19Å; V71-V75 WeakPolarHBondContact O-CB 3.25Å; V71-V75 VanDerWaalsContact O-CG2 3.29Å; V71-V75 WeakPolarHBondContact O-CG2 3.22Å; V71-V75 PolarHBondContact O-N 3.29Å; V71-F167 HydrophobicContact CG2-CB 4.49Å
72	S	98.8	Very high	98.6	Very high	59 Å²	59	33.9 Å²	33.9	41%	0.413	19%	0.191	S	C	.	.	H	α-helix	trans	-60.5	-43.6	177.5	-177.4	0	0	0	0	111.7	P68 L69 A76 Y117	P68-S72 WeakPolarHBondContact O-CB 3.39Å; P68-S72 PolarHBondContact O-N 2.84Å; L69-S72 PolarHBondContact O-N 2.94Å; S72-A76 WeakPolarHBondContact O-CB 3.45Å; S72-A76 PolarHBondContact O-N 2.9Å; S72-Y117 WeakPolarHBondContact CB-OH 3.3Å
73	N	98.9	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-53.4	171.9	177.3	59.9	0	0	0	112.1	L69 T70 V71 V75 A76 L77 S115 I116 Y117 G147	L69-N73 WeakPolarHBondContact O-CB 3.29Å; L69-N73 PolarHBondContact O-N 2.85Å; T70-N73 PolarHBondContact O-N 2.83Å; V71-N73 VanDerWaalsContact C-N 3.34Å; V71-N73 PolarHBondContact O-N 2.89Å; N73-V75 PolarHBondContact O-N 2.93Å; N73-A76 PolarHBondContact O-N 3.42Å; N73-L77 WeakPolarHBondContact O-CB 3.28Å; N73-L77 VanDerWaalsContact O-CG 3.29Å; N73-L77 WeakPolarHBondContact O-CG 3.34Å; N73-L77 PolarHBondContact O-N 3.13Å; N73-S115 WeakPolarHBondContact OD1-CA 3.49Å; N73-S115 VanDerWaalsContact OD1-CB 3.26Å; N73-S115 WeakPolarHBondContact OD1-CB 3.23Å; N73-I116 HydrophobicContact CB-CG1 4.25Å; N73-I116 PolarHBondContact OD1-N 2.7Å; N73-Y117 HydrophobicContact CB-CE2 3.86Å; N73-G147 PolarHBondContact ND2-O 2.85Å
74	F	98.9	Very high	98.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-40.3	-176.4	-167.3	-98.9	0	0	0	112.7	V44 F46 I60 L62 T70 V71 A78 Y86 F150 F167	V44-F74 HydrophobicContact CB-CD1 4.39Å; V44-F74 HydrophobicContact CB-CE1 4.06Å; V44-F74 HydrophobicContact CG1-CD1 4.47Å; V44-F74 HydrophobicContact CG1-CE1 3.86Å; V44-F74 HydrophobicContact CG2-CD1 4.19Å; V44-F74 HydrophobicContact CG2-CE1 4.35Å; F46-F74 HydrophobicContact CE2-CE1 4.5Å; F46-F74 AromaticContact CE2-CZ 3.84Å; F46-F74 HydrophobicContact CE2-CZ 3.84Å; F46-F74 AromaticContact CZ-CE1 3.94Å; F46-F74 HydrophobicContact CZ-CE1 3.94Å; F46-F74 HydrophobicContact CZ-CE2 4.26Å; F46-F74 AromaticContact CZ-CZ 3.44Å; F46-F74 HydrophobicContact CZ-CZ 3.44Å; F46-F74 VanDerWaalsContact CZ-CZ 3.44Å; I60-F74 HydrophobicContact CD1-CE1 4.13Å; I60-F74 HydrophobicContact CD1-CZ 4Å; L62-F74 HydrophobicContact CD1-CD1 3.95Å; L62-F74 HydrophobicContact CD2-CD1 3.79Å; L62-F74 HydrophobicContact CD2-CE1 4.09Å; T70-F74 PolarHBondContact O-N 2.79Å; V71-F74 PolarHBondContact O-N 2.95Å; F74-A78 VanDerWaalsContact O-CB 3.31Å; F74-A78 WeakPolarHBondContact O-CB 3.31Å; F74-A78 PolarHBondContact O-N 3.03Å; F74-Y86 AromaticContact CD2-CE2 3.61Å; F74-Y86 HydrophobicContact CD2-CE2 3.61Å; F74-Y86 AromaticContact CD2-CZ 3.81Å; F74-Y86 VanDerWaalsContact CD2-OH 3.23Å; F74-Y86 WeakPolarHBondContact CD2-OH 3.21Å; F74-Y86 AromaticContact CE2-CE2 3.6Å; F74-Y86 HydrophobicContact CE2-CE2 3.6Å; F74-Y86 AromaticContact CE2-CZ 3.86Å; F74-Y86 HydrophobicContact CG-CE2 4.14Å; F74-Y86 HydrophobicContact CZ-CE2 4.16Å; F74-F150 HydrophobicContact CE2-CB 4.11Å; F74-F150 AromaticContact CE2-CD1 3.63Å; F74-F150 HydrophobicContact CE2-CD1 3.63Å; F74-F150 HydrophobicContact CE2-CD2 4.13Å; F74-F150 HydrophobicContact CE2-CE1 4.03Å; F74-F150 HydrophobicContact CE2-CE2 4.5Å; F74-F150 AromaticContact CE2-CG 3.69Å; F74-F150 HydrophobicContact CE2-CG 3.69Å; F74-F150 HydrophobicContact CE2-CZ 4.45Å; F74-F150 HydrophobicContact CZ-CD1 4.44Å; F74-F150 HydrophobicContact CZ-CD2 4.43Å; F74-F150 HydrophobicContact CZ-CE1 4.48Å; F74-F150 HydrophobicContact CZ-CE2 4.49Å; F74-F150 HydrophobicContact CZ-CG 4.41Å; F74-F167 HydrophobicContact CB-CD2 4.5Å; F74-F167 HydrophobicContact CB-CE2 3.93Å; F74-F167 HydrophobicContact CB-CZ 4.47Å; F74-F167 AromaticContact CD1-CE2 3.77Å; F74-F167 HydrophobicContact CD1-CE2 3.77Å; F74-F167 HydrophobicContact CD1-CZ 4.44Å; F74-F167 AromaticContact CD2-CE2 3.56Å; F74-F167 HydrophobicContact CD2-CE2 3.56Å; F74-F167 AromaticContact CD2-CZ 3.43Å; F74-F167 HydrophobicContact CD2-CZ 3.43Å; F74-F167 VanDerWaalsContact CD2-CZ 3.43Å; F74-F167 HydrophobicContact CE1-CE2 4.09Å; F74-F167 AromaticContact CE2-CE2 3.91Å; F74-F167 HydrophobicContact CE2-CE2 3.91Å; F74-F167 AromaticContact CE2-CZ 3.6Å; F74-F167 HydrophobicContact CE2-CZ 3.6Å; F74-F167 HydrophobicContact CG-CD2 4.43Å; F74-F167 AromaticContact CG-CE2 3.47Å; F74-F167 HydrophobicContact CG-CE2 3.47Å; F74-F167 VanDerWaalsContact CG-CE2 3.47Å; F74-F167 AromaticContact CG-CZ 3.88Å; F74-F167 HydrophobicContact CG-CZ 3.88Å; F74-F167 HydrophobicContact CZ-CE2 4.13Å; F74-F167 HydrophobicContact CZ-CZ 4.15Å
75	V	98.9	Very high	98.6	Very high	17 Å²	17	40.8 Å²	40.8	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-47.9	176.4	171.6	0	0	0	0	110.9	E42 V44 L62 V71 N73 L77 A78 T79 R202	E42-V75 HydrophobicContact CB-CG2 4.16Å; E42-V75 HydrophobicContact CG-CG2 4.45Å; V44-V75 HydrophobicContact CG2-CG2 4.06Å; L62-V75 HydrophobicContact CD1-CG2 3.48Å; L62-V75 VanDerWaalsContact CD1-CG2 3.48Å; V71-V75 HydrophobicContact CG1-CG2 4.19Å; V71-V75 WeakPolarHBondContact O-CB 3.25Å; V71-V75 VanDerWaalsContact O-CG2 3.29Å; V71-V75 WeakPolarHBondContact O-CG2 3.22Å; V71-V75 PolarHBondContact O-N 3.29Å; N73-V75 PolarHBondContact O-N 2.93Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 3.41Å; V75-A78 PolarHBondContact O-N 3Å; V75-A78 VanDerWaalsContact O-N 3.13Å; V75-T79 HydrophobicContact CG1-CG2 4.36Å; V75-T79 WeakPolarHBondContact O-CG2 3.29Å; V75-T79 PolarHBondContact O-N 3.42Å; V75-T79 PolarHBondContact O-OG1 3.32Å; V75-R202 HydrophobicContact CG1-CB 4.37Å; V75-R202 HydrophobicContact CG1-CG 4.22Å
76	A	98.8	Very high	98.7	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-37.3	-179.2	0	0	0	0	0	112.4	S72 N73 T79 G80 E81 I116	S72-A76 WeakPolarHBondContact O-CB 3.45Å; S72-A76 PolarHBondContact O-N 2.9Å; N73-A76 PolarHBondContact O-N 3.42Å; A76-T79 PolarHBondContact O-OG1 3.24Å; A76-T79 VanDerWaalsContact O-OG1 3.07Å; A76-G80 PolarHBondContact O-N 2.96Å; A76-E81 HydrophobicContact CB-CG 3.97Å; A76-E81 PolarHBondContact O-N 2.89Å; A76-I116 HydrophobicContact CB-CD1 4.05Å; A76-I116 HydrophobicContact CB-CG2 3.76Å
77	L	98.9	Very high	98.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-69.7	-34.8	173.5	-69	173.4	0	0	0	112.1	N73 V75 Y84 G85 Y86 F105 I116	N73-L77 WeakPolarHBondContact O-CB 3.28Å; N73-L77 VanDerWaalsContact O-CG 3.29Å; N73-L77 WeakPolarHBondContact O-CG 3.34Å; N73-L77 PolarHBondContact O-N 3.13Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 3.41Å; L77-Y84 HydrophobicContact CD2-CD2 3.71Å; L77-Y84 HydrophobicContact CD2-CE2 3.63Å; L77-G85 CarbonylContact O-C 3.47Å; L77-G85 WeakPolarHBondContact O-CA 3.35Å; L77-Y86 HydrophobicContact CB-CD1 4.45Å; L77-Y86 HydrophobicContact CB-CD2 3.88Å; L77-Y86 HydrophobicContact CB-CE1 4.08Å; L77-Y86 HydrophobicContact CB-CE2 3.44Å; L77-Y86 VanDerWaalsContact CB-CE2 3.44Å; L77-Y86 HydrophobicContact CB-CG 4.36Å; L77-Y86 HydrophobicContact CD1-CE1 4.13Å; L77-Y86 HydrophobicContact CD1-CE2 4.39Å; L77-Y86 WeakPolarHBondContact CD1-OH 3.22Å; L77-Y86 PolarHBondContact O-N 3.18Å; L77-F105 HydrophobicContact CD2-CD1 4.44Å; L77-F105 HydrophobicContact CD2-CE1 3.63Å; L77-F105 HydrophobicContact CD2-CZ 4.17Å; L77-I116 HydrophobicContact CD2-CG2 4.39Å; L77-I116 HydrophobicContact CG-CG2 4.33Å
78	A	98.9	Very high	98.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-37.5	175.2	0	0	0	0	0	112.9	V44 F46 F74 V75 Y86 S200 G201	V44-A78 HydrophobicContact CB-CB 4.23Å; V44-A78 HydrophobicContact CG1-CB 3.46Å; V44-A78 VanDerWaalsContact CG1-CB 3.46Å; V44-A78 HydrophobicContact CG2-CB 3.65Å; F46-A78 HydrophobicContact CE1-CB 4.34Å; F74-A78 VanDerWaalsContact O-CB 3.31Å; F74-A78 WeakPolarHBondContact O-CB 3.31Å; F74-A78 PolarHBondContact O-N 3.03Å; V75-A78 PolarHBondContact O-N 3Å; V75-A78 VanDerWaalsContact O-N 3.13Å; A78-Y86 HydrophobicContact CB-CD2 4.02Å; A78-S200 CarbonylContact O-C 3.41Å; A78-S200 WeakPolarHBondContact O-CB 3.45Å; A78-S200 PolarHBondContact O-OG 3.47Å; A78-G201 WeakPolarHBondContact O-CA 3.34Å; A78-G201 PolarHBondContact O-N 3.34Å
79	T	98.8	Very high	98.7	Very high	55 Å²	55	40.6 Å²	40.6	34%	0.337	25%	0.246	S	C	.	.	H	α-helix	trans	-77.3	-24.5	176.5	59.8	0	0	0	0	112.7	V75 A76 E81 R202	V75-T79 HydrophobicContact CG1-CG2 4.36Å; V75-T79 WeakPolarHBondContact O-CG2 3.29Å; V75-T79 PolarHBondContact O-N 3.42Å; V75-T79 PolarHBondContact O-OG1 3.32Å; A76-T79 PolarHBondContact O-OG1 3.24Å; A76-T79 VanDerWaalsContact O-OG1 3.07Å; T79-E81 PolarHBondContact O-N 3.02Å; T79-E81 WeakPolarHBondContact OG1-CG 3.47Å; T79-E81 PolarHBondContact OG1-N 2.83Å; T79-R202 HydrophobicContact CG2-CB 3.74Å
80	G	98.7	Very high	98.7	Very high	28 Å²	28	39 Å²	39	29%	0.289	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	17.6	-173.9	0	0	0	0	0	113.3	A76 K82 G83 Y84	A76-G80 PolarHBondContact O-N 2.96Å; G80-K82 PolarHBondContact O-N 3Å; G80-G83 PolarHBondContact O-N 3.17Å; G80-Y84 WeakPolarHBondContact CA-O 3.46Å
81	E	98.4	Very high	98.7	Very high	124 Å²	124	39.1 Å²	39.1	58%	0.579	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.4	-173.6	66.8	177.4	-139.5	0	0	113.9	A76 T79	A76-E81 HydrophobicContact CB-CG 3.97Å; A76-E81 PolarHBondContact O-N 2.89Å; T79-E81 PolarHBondContact O-N 3.02Å; T79-E81 WeakPolarHBondContact OG1-CG 3.47Å; T79-E81 PolarHBondContact OG1-N 2.83Å
82	K	97.8	Very high	98.7	Very high	106 Å²	106	39.3 Å²	39.3	46%	0.461	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	2.1	174.9	-56	-56.7	-180	-172.9	0	113.6	G80 Y84 I116	G80-K82 PolarHBondContact O-N 3Å; K82-Y84 VanDerWaalsContact C-N 3.32Å; K82-Y84 HydrophobicContact CB-CD1 4.08Å; K82-Y84 HydrophobicContact CB-CE1 3.52Å; K82-Y84 HydrophobicContact CB-CE2 4.06Å; K82-Y84 WeakPolarHBondContact O-CD1 3.3Å; K82-Y84 WeakPolarHBondContact O-CE1 3.04Å; K82-I116 HydrophobicContact CG-CB 4.46Å; K82-I116 HydrophobicContact CG-CG2 3.87Å
83	G	98.3	Very high	98.7	Very high	76 Å²	76	41 Å²	41	78%	0.784	23%	0.233	S	C	*	.	S	Bend	trans	86.1	0.3	-176.1	0	0	0	0	0	114.5	G80	G80-G83 PolarHBondContact O-N 3.17Å
84	Y	98.5	Very high	98.7	Very high	70 Å²	70	41 Å²	41	28%	0.275	23%	0.233	S	C	.	.			trans	-142.6	158.2	174.4	54.4	-94.4	0	0	0	108.8	L77 G80 K82 F105 H114	L77-Y84 HydrophobicContact CD2-CD2 3.71Å; L77-Y84 HydrophobicContact CD2-CE2 3.63Å; G80-Y84 WeakPolarHBondContact CA-O 3.46Å; K82-Y84 VanDerWaalsContact C-N 3.32Å; K82-Y84 HydrophobicContact CB-CD1 4.08Å; K82-Y84 HydrophobicContact CB-CE1 3.52Å; K82-Y84 HydrophobicContact CB-CE2 4.06Å; K82-Y84 WeakPolarHBondContact O-CD1 3.3Å; K82-Y84 WeakPolarHBondContact O-CE1 3.04Å; Y84-F105 HydrophobicContact CD2-CE1 4.13Å; Y84-F105 AromaticContact CD2-CE2 3.73Å; Y84-F105 HydrophobicContact CD2-CE2 3.73Å; Y84-F105 AromaticContact CD2-CZ 3.46Å; Y84-F105 HydrophobicContact CD2-CZ 3.46Å; Y84-F105 VanDerWaalsContact CD2-CZ 3.46Å; Y84-F105 AromaticContact CE2-CZ 3.99Å; Y84-F105 HydrophobicContact CE2-CZ 3.99Å; Y84-F105 HydrophobicContact CG-CE2 4.1Å; Y84-F105 HydrophobicContact CG-CZ 4.28Å; Y84-H114 AromaticContact CD2-CE1 3.76Å; Y84-H114 AromaticContact CE1-CE1 3.8Å; Y84-H114 AromaticContact CE2-CE1 3.39Å; Y84-H114 WeakPolarHBondContact CE2-CE1 3.48Å; Y84-H114 AromaticContact CE2-ND1 3.81Å; Y84-H114 AromaticContact CZ-CE1 3.42Å; Y84-H114 VanDerWaalsContact CZ-CE1 3.42Å; Y84-H114 AromaticContact CZ-ND1 3.97Å
85	G	98.6	Very high	98.7	Very high	14 Å²	14	42.8 Å²	42.8	14%	0.144	24%	0.242	C	C	.	.			trans	168.9	-163.8	-175.9	0	0	0	0	0	114.9	L77 T89 F105	L77-G85 CarbonylContact O-C 3.47Å; L77-G85 WeakPolarHBondContact O-CA 3.35Å; G85-T89 WeakPolarHBondContact O-CG2 3.38Å; G85-F105 VanDerWaalsContact O-CB 3.3Å; G85-F105 WeakPolarHBondContact O-CB 3.44Å
86	Y	98.9	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-81	-19.1	-171.6	-62.3	-44.2	0	0	0	115.2	F46 F74 L77 A78 G88 T89 S148 F150	F46-Y86 AromaticContact CE1-CD2 3.91Å; F46-Y86 HydrophobicContact CE1-CD2 3.91Å; F46-Y86 HydrophobicContact CE1-CG 4.39Å; F46-Y86 AromaticContact CZ-CD2 3.93Å; F46-Y86 HydrophobicContact CZ-CD2 3.93Å; F46-Y86 HydrophobicContact CZ-CE2 4.43Å; F46-Y86 HydrophobicContact CZ-CG 4.49Å; F74-Y86 AromaticContact CD2-CE2 3.61Å; F74-Y86 HydrophobicContact CD2-CE2 3.61Å; F74-Y86 AromaticContact CD2-CZ 3.81Å; F74-Y86 VanDerWaalsContact CD2-OH 3.23Å; F74-Y86 WeakPolarHBondContact CD2-OH 3.21Å; F74-Y86 AromaticContact CE2-CE2 3.6Å; F74-Y86 HydrophobicContact CE2-CE2 3.6Å; F74-Y86 AromaticContact CE2-CZ 3.86Å; F74-Y86 HydrophobicContact CG-CE2 4.14Å; F74-Y86 HydrophobicContact CZ-CE2 4.16Å; L77-Y86 HydrophobicContact CB-CD1 4.45Å; L77-Y86 HydrophobicContact CB-CD2 3.88Å; L77-Y86 HydrophobicContact CB-CE1 4.08Å; L77-Y86 HydrophobicContact CB-CE2 3.44Å; L77-Y86 VanDerWaalsContact CB-CE2 3.44Å; L77-Y86 HydrophobicContact CB-CG 4.36Å; L77-Y86 HydrophobicContact CD1-CE1 4.13Å; L77-Y86 HydrophobicContact CD1-CE2 4.39Å; L77-Y86 WeakPolarHBondContact CD1-OH 3.22Å; L77-Y86 PolarHBondContact O-N 3.18Å; A78-Y86 HydrophobicContact CB-CD2 4.02Å; Y86-G88 PolarHBondContact O-N 3.47Å; Y86-T89 WeakPolarHBondContact O-CB 3.37Å; Y86-T89 VanDerWaalsContact O-CG2 3.28Å; Y86-T89 WeakPolarHBondContact O-CG2 2.88Å; Y86-T89 PolarHBondContact O-N 2.98Å; Y86-T89 PolarHBondContact O-OG1 3.3Å; Y86-S148 VanDerWaalsContact CE1-O 3.26Å; Y86-S148 WeakPolarHBondContact CE1-O 3.3Å; Y86-S148 PolarHBondContact OH-O 3.27Å; Y86-F150 HydrophobicContact CD1-CE1 4.22Å; Y86-F150 HydrophobicContact CE1-CD1 4.09Å; Y86-F150 AromaticContact CE1-CE1 4Å; Y86-F150 HydrophobicContact CE1-CE1 4Å; Y86-F150 HydrophobicContact CE2-CE1 4.5Å
87	K	98.8	Very high	98.6	Very high	136 Å²	136	53.3 Å²	53.3	59%	0.591	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	126.1	177.1	-178.4	173.5	-179.5	171	0	110.6	T89 V198 S200	K87-T89 VanDerWaalsContact C-N 3.32Å; K87-V198 WeakPolarHBondContact CE-O 3.14Å; K87-S200 PolarHBondContact N-OG 3.25Å
88	G	98.6	Very high	98.6	Very high	56 Å²	56	55.1 Å²	55.1	58%	0.577	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-2.5	-176.7	0	0	0	0	0	114.4	Y86 I197	Y86-G88 PolarHBondContact O-N 3.47Å; G88-I197 PolarHBondContact N-O 3.08Å
89	T	98.8	Very high	98.6	Very high	9 Å²	9	55.3 Å²	55.3	6%	0.055	30%	0.3	C	S	.	.			trans	-82.1	157.1	179	69.3	0	0	0	0	111.9	G85 Y86 K87 F105 V196 I197	G85-T89 WeakPolarHBondContact O-CG2 3.38Å; Y86-T89 WeakPolarHBondContact O-CB 3.37Å; Y86-T89 VanDerWaalsContact O-CG2 3.28Å; Y86-T89 WeakPolarHBondContact O-CG2 2.88Å; Y86-T89 PolarHBondContact O-N 2.98Å; Y86-T89 PolarHBondContact O-OG1 3.3Å; K87-T89 VanDerWaalsContact C-N 3.32Å; T89-F105 HydrophobicContact CG2-CB 3.4Å; T89-F105 VanDerWaalsContact CG2-CB 3.4Å; T89-V196 WeakPolarHBondContact O-CA 3.18Å; T89-I197 PolarHBondContact O-N 3.2Å
90	K	98.5	Very high	98.6	Very high	61 Å²	61	52.7 Å²	52.7	27%	0.265	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-108.6	155.4	179.3	66.2	-174.5	179.4	-174.5	0	113.2	H92 G108 C195 V196	K90-H92 HydrophobicContact CG-CB 4.26Å; K90-H92 PolarHBondContact O-N 3.47Å; K90-G108 WeakPolarHBondContact CE-O 3.44Å; K90-C195 CarbonylContact C-O 3.56Å; K90-C195 VanDerWaalsContact CA-O 3.23Å; K90-C195 WeakPolarHBondContact CA-O 3.33Å; K90-C195 WeakPolarHBondContact CB-O 3.47Å; K90-V196 HydrophobicContact CB-CG2 4.44Å
91	F	98.9	Very high	98.6	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	28%	0.275	C	S	.	.			trans	-77.6	97.5	160.8	-66.9	-85.3	0	0	0	108.3	I48 V94 I100 Q101 F150 I180 C195 I197	I48-F91 HydrophobicContact CD1-CE2 3.86Å; I48-F91 HydrophobicContact CD1-CZ 4.48Å; F91-V94 HydrophobicContact CB-CG2 4.35Å; F91-I100 HydrophobicContact CD1-CB 4.09Å; F91-I100 HydrophobicContact CD1-CD1 4.01Å; F91-I100 HydrophobicContact CD1-CG1 4.12Å; F91-I100 HydrophobicContact CE1-CD1 3.74Å; F91-I100 HydrophobicContact CE1-CG1 4.06Å; F91-I100 HydrophobicContact CZ-CD1 4.14Å; F91-Q101 CarbonylContact C-O 3.51Å; F91-Q101 VanDerWaalsContact CA-O 3.23Å; F91-Q101 WeakPolarHBondContact CA-O 3.14Å; F91-F150 HydrophobicContact CE1-CE2 4.13Å; F91-F150 HydrophobicContact CE1-CZ 4.18Å; F91-F150 HydrophobicContact CZ-CZ 4.44Å; F91-I180 HydrophobicContact CB-CG2 4.16Å; F91-I180 HydrophobicContact CD2-CD1 3.78Å; F91-I180 HydrophobicContact CD2-CG2 4.4Å; F91-I180 HydrophobicContact CE2-CD1 3.62Å; F91-I180 HydrophobicContact CG-CD1 4.46Å; F91-I180 HydrophobicContact CG-CG2 4.23Å; F91-I180 HydrophobicContact CZ-CD1 4.18Å; F91-C195 HydrophobicContact CB-CB 4.16Å; F91-C195 HydrophobicContact CD2-CB 4.18Å; F91-C195 PolarHBondContact N-O 3.1Å; F91-I197 HydrophobicContact CE2-CD1 4.17Å; F91-I197 HydrophobicContact CE2-CG1 3.73Å; F91-I197 HydrophobicContact CZ-CD1 4.09Å; F91-I197 HydrophobicContact CZ-CG1 4.12Å
92	H	98.8	Very high	98.6	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.046	25%	0.248	C	C	.	.			trans	-87.6	-7.4	-171.6	61.2	-94.7	0	0	0	113.3	K90 Q101 G108 G110 Q149 L190	K90-H92 HydrophobicContact CG-CB 4.26Å; K90-H92 PolarHBondContact O-N 3.47Å; H92-Q101 PolarHBondContact N-O 2.75Å; H92-Q101 VanDerWaalsContact N-O 3.1Å; H92-G108 WeakPolarHBondContact CB-O 3.21Å; H92-G110 VanDerWaalsContact NE2-CA 3.31Å; H92-G110 WeakPolarHBondContact NE2-CA 3.4Å; H92-Q149 PolarHBondContact CE1-OE1 3.44Å; H92-Q149 PolarHBondContact NE2-OE1 2.77Å; H92-L190 HydrophobicContact CB-CD1 4.38Å; H92-L190 VanDerWaalsContact O-CD1 3.23Å; H92-L190 WeakPolarHBondContact O-CD1 3.49Å
93	R	98.8	Very high	98.7	Very high	94 Å²	94	41.4 Å²	41.4	36%	0.355	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	122.4	176.8	-169.9	-170.5	177.2	-146.2	2.9	110.4	M99 Q101 N189	R93-M99 HydrophobicContact CB-CE 4.48Å; R93-M99 HydrophobicContact CG-CE 3.91Å; R93-Q101 HydrophobicContact CB-CB 4.19Å; R93-Q101 PolarHBondContact N-O 2.89Å; R93-Q101 PolarHBondContact O-N 2.65Å; R93-N189 CarbonylContact C-O 3.58Å; R93-N189 WeakPolarHBondContact CA-O 3.39Å; R93-N189 HydrophobicContact CG-CB 4Å
94	V	98.9	Very high	98.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	122.8	-176.2	170.3	0	0	0	0	108.6	F91 I100 I180 T185 N189 P191	F91-V94 HydrophobicContact CB-CG2 4.35Å; V94-I100 HydrophobicContact CG1-CG2 4.06Å; V94-I100 HydrophobicContact CG2-CB 4.33Å; V94-I100 HydrophobicContact CG2-CG2 4.06Å; V94-I180 HydrophobicContact CG2-CG2 3.83Å; V94-T185 HydrophobicContact CB-CG2 4.07Å; V94-T185 HydrophobicContact CG1-CG2 4.34Å; V94-N189 PolarHBondContact N-O 3.12Å; V94-N189 WeakPolarHBondContact O-CB 3.43Å; V94-P191 HydrophobicContact CB-CG 3.86Å; V94-P191 HydrophobicContact CG2-CG 3.45Å; V94-P191 VanDerWaalsContact CG2-CG 3.45Å
95	I	98.7	Very high	98.7	Very high	36 Å²	36	36.5 Å²	36.5	19%	0.185	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.9	177.4	-58.5	175.3	0	0	0	107.4	F98 M99 N189	I95-F98 HydrophobicContact CB-CB 4.06Å; I95-F98 HydrophobicContact CB-CD1 3.99Å; I95-F98 HydrophobicContact CD1-CD1 3.93Å; I95-F98 HydrophobicContact CD1-CE1 4.32Å; I95-F98 HydrophobicContact CG2-CB 3.81Å; I95-F98 HydrophobicContact CG2-CD1 4.01Å; I95-F98 HydrophobicContact CG2-CG 4.44Å; I95-F98 PolarHBondContact O-N 2.91Å; I95-F98 VanDerWaalsContact O-N 3.1Å; I95-M99 HydrophobicContact CB-CE 4.01Å; I95-M99 HydrophobicContact CD1-CE 3.67Å; I95-M99 HydrophobicContact CG1-CE 3.6Å; I95-M99 PolarHBondContact N-O 3.45Å; I95-M99 PolarHBondContact O-N 3.14Å; I95-N189 HydrophobicContact CD1-CB 4.5Å; I95-N189 HydrophobicContact CG1-CB 3.82Å
96	K	98.3	Very high	98.7	Very high	126 Å²	126	39.9 Å²	39.9	55%	0.548	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	141.2	176.7	-176.3	-178.8	172.7	-178.4	0	111.2	F98 E181 L182	K96-F98 PolarHBondContact O-N 3.04Å; K96-E181 HydrophobicContact CB-CG 4.5Å; K96-E181 HydrophobicContact CG-CG 4.5Å; K96-L182 HydrophobicContact CD-CD2 4.36Å
97	D	97.8	Very high	98.6	Very high	115 Å²	115	42.3 Å²	42.3	62%	0.615	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	23.9	-176.2	-55.7	-51.4	0	0	0	112.4	T155 E181	D97-T155 WeakPolarHBondContact O-CG2 3.15Å; D97-E181 WeakPolarHBondContact CA-OE1 3.48Å; D97-E181 PolarHBondContact N-OE1 3.41Å
98	F	98.6	Very high	98.6	Very high	39 Å²	39	36.4 Å²	36.4	17%	0.171	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-76.9	176.8	-179.1	-150.7	0	0	0	112.2	I95 K96 L153 S154 A157 W159 L160	I95-F98 HydrophobicContact CB-CB 4.06Å; I95-F98 HydrophobicContact CB-CD1 3.99Å; I95-F98 HydrophobicContact CD1-CD1 3.93Å; I95-F98 HydrophobicContact CD1-CE1 4.32Å; I95-F98 HydrophobicContact CG2-CB 3.81Å; I95-F98 HydrophobicContact CG2-CD1 4.01Å; I95-F98 HydrophobicContact CG2-CG 4.44Å; I95-F98 PolarHBondContact O-N 2.91Å; I95-F98 VanDerWaalsContact O-N 3.1Å; K96-F98 PolarHBondContact O-N 3.04Å; F98-L153 HydrophobicContact CD2-CD2 4.19Å; F98-L153 HydrophobicContact CE2-CD2 4.03Å; F98-S154 PolarHBondContact O-N 2.99Å; F98-A157 HydrophobicContact CD2-CB 4.49Å; F98-A157 HydrophobicContact CE2-CB 3.98Å; F98-W159 AromaticContact CD2-CZ2 3.96Å; F98-W159 HydrophobicContact CD2-CZ2 3.96Å; F98-W159 AromaticContact CE2-CZ2 3.74Å; F98-W159 HydrophobicContact CE2-CZ2 3.74Å; F98-W159 HydrophobicContact CZ-CZ2 4.45Å; F98-L160 HydrophobicContact CE2-CD1 3.93Å; F98-L160 HydrophobicContact CZ-CD1 4.01Å
99	M	98.8	Very high	98.6	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	158.1	-169.4	67.1	86.7	-137.6	0	0	114.1	R93 I95 Q101 F151 I152 L153	R93-M99 HydrophobicContact CB-CE 4.48Å; R93-M99 HydrophobicContact CG-CE 3.91Å; I95-M99 HydrophobicContact CB-CE 4.01Å; I95-M99 HydrophobicContact CD1-CE 3.67Å; I95-M99 HydrophobicContact CG1-CE 3.6Å; I95-M99 PolarHBondContact N-O 3.45Å; I95-M99 PolarHBondContact O-N 3.14Å; M99-Q101 HydrophobicContact CE-CB 4.14Å; M99-Q101 HydrophobicContact SD-CB 3.53Å; M99-Q101 VanDerWaalsContact SD-CB 3.53Å; M99-F151 HydrophobicContact CB-CB 4.37Å; M99-F151 HydrophobicContact CB-CD2 4.26Å; M99-F151 HydrophobicContact SD-CB 3.94Å; M99-I152 VanDerWaalsContact CA-O 3.23Å; M99-I152 WeakPolarHBondContact CA-O 3.44Å; M99-I152 WeakPolarHBondContact CB-O 3.45Å; M99-L153 HydrophobicContact CB-CD2 3.97Å
100	I	98.9	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.3	164.4	63.3	170.2	0	0	0	109	F91 V94 F151 I152 V177 I180 E181	F91-I100 HydrophobicContact CD1-CB 4.09Å; F91-I100 HydrophobicContact CD1-CD1 4.01Å; F91-I100 HydrophobicContact CD1-CG1 4.12Å; F91-I100 HydrophobicContact CE1-CD1 3.74Å; F91-I100 HydrophobicContact CE1-CG1 4.06Å; F91-I100 HydrophobicContact CZ-CD1 4.14Å; V94-I100 HydrophobicContact CG1-CG2 4.06Å; V94-I100 HydrophobicContact CG2-CB 4.33Å; V94-I100 HydrophobicContact CG2-CG2 4.06Å; I100-F151 CarbonylContact O-C 3.52Å; I100-F151 WeakPolarHBondContact O-CA 3.22Å; I100-F151 WeakPolarHBondContact O-CB 3.05Å; I100-I152 HydrophobicContact CD1-CB 4.37Å; I100-I152 HydrophobicContact CD1-CD1 4.31Å; I100-I152 HydrophobicContact CG1-CB 3.85Å; I100-I152 HydrophobicContact CG1-CG1 4.42Å; I100-I152 PolarHBondContact N-O 3.5Å; I100-I152 PolarHBondContact O-N 2.87Å; I100-V177 HydrophobicContact CD1-CB 4.26Å; I100-V177 HydrophobicContact CD1-CG1 3.77Å; I100-V177 HydrophobicContact CD1-CG2 4.3Å; I100-V177 HydrophobicContact CG1-CG1 4.16Å; I100-I180 HydrophobicContact CB-CG2 4.19Å; I100-I180 HydrophobicContact CD1-CB 4.18Å; I100-I180 HydrophobicContact CD1-CD1 3.83Å; I100-I180 HydrophobicContact CD1-CG2 4.16Å; I100-I180 HydrophobicContact CG2-CB 4.27Å; I100-I180 HydrophobicContact CG2-CG2 3.78Å; I100-E181 HydrophobicContact CG2-CB 4.09Å
101	Q	98.9	Very high	98.5	Very high	21 Å²	21	42 Å²	42	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.6	-176.4	171.2	178.6	-6.6	0	0	110.9	F91 H92 R93 M99 F150 F151	F91-Q101 CarbonylContact C-O 3.51Å; F91-Q101 VanDerWaalsContact CA-O 3.23Å; F91-Q101 WeakPolarHBondContact CA-O 3.14Å; H92-Q101 PolarHBondContact N-O 2.75Å; H92-Q101 VanDerWaalsContact N-O 3.1Å; R93-Q101 HydrophobicContact CB-CB 4.19Å; R93-Q101 PolarHBondContact N-O 2.89Å; R93-Q101 PolarHBondContact O-N 2.65Å; M99-Q101 HydrophobicContact CE-CB 4.14Å; M99-Q101 HydrophobicContact SD-CB 3.53Å; M99-Q101 VanDerWaalsContact SD-CB 3.53Å; Q101-F150 WeakPolarHBondContact CA-O 3.48Å; Q101-F151 HydrophobicContact CB-CB 4.09Å
102	G	98.9	Very high	98.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	-163	-178.1	0	0	0	0	0	111.9	Q149 F150	G102-Q149 VanDerWaalsContact O-CA 3.25Å; G102-Q149 WeakPolarHBondContact O-CA 3.47Å; G102-F150 PolarHBondContact N-O 2.8Å; G102-F150 PolarHBondContact O-N 3.4Å
103	G	98.7	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.			trans	88.3	4.5	174.2	0	0	0	0	0	115.8	F105 S148	G103-F105 PolarHBondContact O-N 2.93Å; G103-S148 VanDerWaalsContact O-CB 3.3Å; G103-S148 WeakPolarHBondContact O-CB 3.23Å; G103-S148 PolarHBondContact O-OG 2.85Å
104	D	98.8	Very high	98.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	24%	0.237	C	C	.	.			trans	-81	99.2	165.4	-179.1	-6.6	0	0	0	108.8	T106 A107 G108 D109 G110 T111 G112 G113 Q149	D104-T106 PolarHBondContact OD1-N 3.07Å; D104-T106 VanDerWaalsContact OD1-N 3.11Å; D104-T106 PolarHBondContact OD1-OG1 3.4Å; D104-A107 PolarHBondContact OD1-N 3.1Å; D104-G108 WeakPolarHBondContact O-CA 3.35Å; D104-G108 PolarHBondContact OD1-N 3.24Å; D104-G108 VanDerWaalsContact OD1-N 3.09Å; D104-G108 PolarHBondContact OD2-N 2.75Å; D104-G108 VanDerWaalsContact OD2-N 3.08Å; D104-D109 PolarHBondContact OD2-N 3.46Å; D104-G110 WeakPolarHBondContact OD2-CA 3.39Å; D104-G110 PolarHBondContact OD2-N 3.42Å; D104-T111 PolarHBondContact OD2-N 2.98Å; D104-G112 VanDerWaalsContact OD1-C 3.26Å; D104-G112 VanDerWaalsContact OD1-CA 3.3Å; D104-G112 WeakPolarHBondContact OD1-CA 3.18Å; D104-G112 PolarHBondContact OD2-N 3.32Å; D104-G113 PolarHBondContact OD1-N 2.94Å; D104-Q149 HydrophobicContact CB-CG 3.99Å
105	F	98.5	Very high	98.5	Very high	43 Å²	43	40.9 Å²	40.9	19%	0.189	24%	0.237	C	C	.	.			trans	-94.4	-2	-179.3	59.4	-103.9	0	0	0	114.1	L77 Y84 G85 T89 G103 H114 S148	L77-F105 HydrophobicContact CD2-CD1 4.44Å; L77-F105 HydrophobicContact CD2-CE1 3.63Å; L77-F105 HydrophobicContact CD2-CZ 4.17Å; Y84-F105 HydrophobicContact CD2-CE1 4.13Å; Y84-F105 AromaticContact CD2-CE2 3.73Å; Y84-F105 HydrophobicContact CD2-CE2 3.73Å; Y84-F105 AromaticContact CD2-CZ 3.46Å; Y84-F105 HydrophobicContact CD2-CZ 3.46Å; Y84-F105 VanDerWaalsContact CD2-CZ 3.46Å; Y84-F105 AromaticContact CE2-CZ 3.99Å; Y84-F105 HydrophobicContact CE2-CZ 3.99Å; Y84-F105 HydrophobicContact CG-CE2 4.1Å; Y84-F105 HydrophobicContact CG-CZ 4.28Å; G85-F105 VanDerWaalsContact O-CB 3.3Å; G85-F105 WeakPolarHBondContact O-CB 3.44Å; T89-F105 HydrophobicContact CG2-CB 3.4Å; T89-F105 VanDerWaalsContact CG2-CB 3.4Å; G103-F105 PolarHBondContact O-N 2.93Å; F105-H114 WeakPolarHBondContact CE1-O 3.37Å; F105-H114 AromaticContact CE2-CD2 3.75Å; F105-H114 AromaticContact CE2-CE1 3.94Å; F105-H114 AromaticContact CE2-NE2 3.48Å; F105-H114 WeakPolarHBondContact CE2-NE2 3.23Å; F105-H114 AromaticContact CZ-CD2 3.74Å; F105-H114 AromaticContact CZ-CE1 3.74Å; F105-H114 AromaticContact CZ-CG 3.87Å; F105-H114 AromaticContact CZ-ND1 3.87Å; F105-H114 AromaticContact CZ-NE2 3.67Å; F105-H114 WeakPolarHBondContact CZ-O 3.41Å; F105-S148 WeakPolarHBondContact CE1-OG 3.39Å
106	T	98.4	Very high	98.5	Very high	85 Å²	85	40.9 Å²	40.9	52%	0.521	24%	0.237	S	C	.	.	S	Bend	trans	-105.2	-45.7	-178	62.7	0	0	0	0	112.3	D104 G112 G113	D104-T106 PolarHBondContact OD1-N 3.07Å; D104-T106 VanDerWaalsContact OD1-N 3.11Å; D104-T106 PolarHBondContact OD1-OG1 3.4Å; T106-G112 VanDerWaalsContact OG1-CA 3.22Å; T106-G112 WeakPolarHBondContact OG1-CA 2.7Å; T106-G113 PolarHBondContact OG1-N 3.39Å
107	A	98.1	Very high	98.5	Very high	51 Å²	51	39.6 Å²	39.6	42%	0.421	23%	0.229	S	C	.	.	S	Bend	trans	-109.1	-30.4	-180	0	0	0	0	0	111.8	D104 D109 T111	D104-A107 PolarHBondContact OD1-N 3.1Å; A107-D109 WeakPolarHBondContact CB-OD1 3.23Å; A107-D109 PolarHBondContact O-N 3.21Å; A107-T111 WeakPolarHBondContact CB-OG1 3.33Å
108	G	98.1	Very high	98.5	Very high	11 Å²	11	35.8 Å²	35.8	11%	0.113	22%	0.217	C	C	.	.	S	Bend	trans	68.9	15.4	-178.2	0	0	0	0	0	113.9	K90 H92 D104	K90-G108 WeakPolarHBondContact CE-O 3.44Å; H92-G108 WeakPolarHBondContact CB-O 3.21Å; D104-G108 WeakPolarHBondContact O-CA 3.35Å; D104-G108 PolarHBondContact OD1-N 3.24Å; D104-G108 VanDerWaalsContact OD1-N 3.09Å; D104-G108 PolarHBondContact OD2-N 2.75Å; D104-G108 VanDerWaalsContact OD2-N 3.08Å
109	D	98	Very high	98.4	Very high	99 Å²	99	39.1 Å²	39.1	53%	0.529	24%	0.241	S	C	.	.	S	Bend	trans	-124.8	3.1	-176.5	66.3	4.8	0	0	0	113.3	D104 A107 T111	D104-D109 PolarHBondContact OD2-N 3.46Å; A107-D109 WeakPolarHBondContact CB-OD1 3.23Å; A107-D109 PolarHBondContact O-N 3.21Å; D109-T111 VanDerWaalsContact OD1-CB 3.31Å; D109-T111 WeakPolarHBondContact OD1-CB 3.31Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.44Å; D109-T111 PolarHBondContact OD1-N 3.5Å; D109-T111 PolarHBondContact OD1-OG1 3.26Å
110	G	98.1	Very high	98.4	Very high	28 Å²	28	42.6 Å²	42.6	29%	0.289	26%	0.262	S	S	.	.	S	Bend	trans	95.6	-4.5	-179.1	0	0	0	0	0	113.5	H92 D104 Q149	H92-G110 VanDerWaalsContact NE2-CA 3.31Å; H92-G110 WeakPolarHBondContact NE2-CA 3.4Å; D104-G110 WeakPolarHBondContact OD2-CA 3.39Å; D104-G110 PolarHBondContact OD2-N 3.42Å; G110-Q149 VanDerWaalsContact C-NE2 3.29Å; G110-Q149 PolarHBondContact O-NE2 3.09Å
111	T	98	Very high	98.4	Very high	116 Å²	116	43.6 Å²	43.6	71%	0.712	27%	0.267	S	S	*	.	S	Bend	trans	-88.8	-12.9	177	66.9	0	0	0	0	113.5	D104 A107 D109	D104-T111 PolarHBondContact OD2-N 2.98Å; A107-T111 WeakPolarHBondContact CB-OG1 3.33Å; D109-T111 VanDerWaalsContact OD1-CB 3.31Å; D109-T111 WeakPolarHBondContact OD1-CB 3.31Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.44Å; D109-T111 PolarHBondContact OD1-N 3.5Å; D109-T111 PolarHBondContact OD1-OG1 3.26Å
112	G	98.1	Very high	98.4	Very high	16 Å²	16	45.3 Å²	45.3	17%	0.165	28%	0.284	C	S	.	.			trans	-114.4	-161.2	-172.8	0	0	0	0	0	115.2	D104 T106 Q149	D104-G112 VanDerWaalsContact OD1-C 3.26Å; D104-G112 VanDerWaalsContact OD1-CA 3.3Å; D104-G112 WeakPolarHBondContact OD1-CA 3.18Å; D104-G112 PolarHBondContact OD2-N 3.32Å; T106-G112 VanDerWaalsContact OG1-CA 3.22Å; T106-G112 WeakPolarHBondContact OG1-CA 2.7Å; G112-Q149 PolarHBondContact O-NE2 2.94Å
113	G	98.4	Very high	98.4	Very high	14 Å²	14	46.6 Å²	46.6	14%	0.144	29%	0.291	C	S	.	.			trans	88.3	153.2	-175.9	0	0	0	0	0	113	D104 T106 S148	D104-G113 PolarHBondContact OD1-N 2.94Å; T106-G113 PolarHBondContact OG1-N 3.39Å; G113-S148 WeakPolarHBondContact CA-OG 3.41Å
114	H	98.8	Very high	98.4	Very high	55 Å²	55	48.8 Å²	48.8	26%	0.255	30%	0.301	S	S	.	.			trans	-151.9	156.7	173.4	60.4	80.6	0	0	0	110.6	Y84 F105 S148	Y84-H114 AromaticContact CD2-CE1 3.76Å; Y84-H114 AromaticContact CE1-CE1 3.8Å; Y84-H114 AromaticContact CE2-CE1 3.39Å; Y84-H114 WeakPolarHBondContact CE2-CE1 3.48Å; Y84-H114 AromaticContact CE2-ND1 3.81Å; Y84-H114 AromaticContact CZ-CE1 3.42Å; Y84-H114 VanDerWaalsContact CZ-CE1 3.42Å; Y84-H114 AromaticContact CZ-ND1 3.97Å; F105-H114 WeakPolarHBondContact CE1-O 3.37Å; F105-H114 AromaticContact CE2-CD2 3.75Å; F105-H114 AromaticContact CE2-CE1 3.94Å; F105-H114 AromaticContact CE2-NE2 3.48Å; F105-H114 WeakPolarHBondContact CE2-NE2 3.23Å; F105-H114 AromaticContact CZ-CD2 3.74Å; F105-H114 AromaticContact CZ-CE1 3.74Å; F105-H114 AromaticContact CZ-CG 3.87Å; F105-H114 AromaticContact CZ-ND1 3.87Å; F105-H114 AromaticContact CZ-NE2 3.67Å; F105-H114 WeakPolarHBondContact CZ-O 3.41Å; H114-S148 PolarHBondContact N-OG 3.42Å; H114-S148 WeakPolarHBondContact O-CB 3.23Å
115	S	98.8	Very high	98.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-78.6	173.8	176.6	76.7	0	0	0	0	111.8	N73 Y117 G118 F121	N73-S115 WeakPolarHBondContact OD1-CA 3.49Å; N73-S115 VanDerWaalsContact OD1-CB 3.26Å; N73-S115 WeakPolarHBondContact OD1-CB 3.23Å; S115-Y117 PolarHBondContact O-N 3.03Å; S115-Y117 WeakPolarHBondContact OG-CB 3.3Å; S115-Y117 PolarHBondContact OG-N 3.36Å; S115-G118 PolarHBondContact N-O 3.31Å; S115-G118 PolarHBondContact O-N 3.08Å; S115-G118 PolarHBondContact OG-N 3.09Å; S115-G118 PolarHBondContact OG-O 3.45Å; S115-F121 VanDerWaalsContact CB-CD1 3.47Å
116	I	98.8	Very high	98.3	Very high	36 Å²	36	51.8 Å²	51.8	19%	0.185	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.4	167.9	69	172.5	0	0	0	113.4	N73 A76 L77 K82	N73-I116 HydrophobicContact CB-CG1 4.25Å; N73-I116 PolarHBondContact OD1-N 2.7Å; A76-I116 HydrophobicContact CB-CD1 4.05Å; A76-I116 HydrophobicContact CB-CG2 3.76Å; L77-I116 HydrophobicContact CD2-CG2 4.39Å; L77-I116 HydrophobicContact CG-CG2 4.33Å; K82-I116 HydrophobicContact CG-CB 4.46Å; K82-I116 HydrophobicContact CG-CG2 3.87Å
117	Y	98.6	Very high	98.3	Very high	99 Å²	99	54.7 Å²	54.7	39%	0.388	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-2.6	-178.7	-48.7	-58.3	0	0	0	113.1	L69 S72 N73 S115 F121	L69-Y117 HydrophobicContact CB-CE2 4.35Å; L69-Y117 PolarHBondContact O-OH 3.3Å; S72-Y117 WeakPolarHBondContact CB-OH 3.3Å; N73-Y117 HydrophobicContact CB-CE2 3.86Å; S115-Y117 PolarHBondContact O-N 3.03Å; S115-Y117 WeakPolarHBondContact OG-CB 3.3Å; S115-Y117 PolarHBondContact OG-N 3.36Å; Y117-F121 HydrophobicContact CD2-CB 4.07Å; Y117-F121 HydrophobicContact CD2-CD1 4.15Å; Y117-F121 HydrophobicContact CD2-CD2 4.4Å; Y117-F121 AromaticContact CD2-CG 3.96Å; Y117-F121 HydrophobicContact CD2-CG 3.96Å
118	G	98.1	Very high	98.2	Very high	34 Å²	34	52.4 Å²	52.4	35%	0.351	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	127.4	-171.2	-172.1	0	0	0	0	0	111.7	S115 T120	S115-G118 PolarHBondContact N-O 3.31Å; S115-G118 PolarHBondContact O-N 3.08Å; S115-G118 PolarHBondContact OG-N 3.09Å; S115-G118 PolarHBondContact OG-O 3.45Å; G118-T120 VanDerWaalsContact C-N 3.29Å; G118-T120 PolarHBondContact O-N 3.11Å
119	T	97.1	Very high	98.1	Very high	110 Å²	110	57.1 Å²	57.1	68%	0.675	32%	0.319	S	S	*	.	S	Bend	trans	-54.5	-44.9	-177.8	-49.3	0	0	0	0	112.1
120	T	97.9	Very high	98.1	Very high	75 Å²	75	52.4 Å²	52.4	46%	0.46	29%	0.294	S	S	.	.			trans	-136.8	162.2	175.7	61.3	0	0	0	0	112.5	G118 N146	G118-T120 VanDerWaalsContact C-N 3.29Å; G118-T120 PolarHBondContact O-N 3.11Å; T120-N146 CarbonylContact C-O 3.55Å; T120-N146 WeakPolarHBondContact CA-O 3.47Å
121	F	98.8	Very high	97.9	Very high	22 Å²	22	54 Å²	54	10%	0.096	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-139.7	158.9	168.1	71.2	-80.2	0	0	0	111.9	T70 S115 Y117 M138 D144 N146 G147	T70-F121 HydrophobicContact CG2-CZ 4.37Å; S115-F121 VanDerWaalsContact CB-CD1 3.47Å; Y117-F121 HydrophobicContact CD2-CB 4.07Å; Y117-F121 HydrophobicContact CD2-CD1 4.15Å; Y117-F121 HydrophobicContact CD2-CD2 4.4Å; Y117-F121 AromaticContact CD2-CG 3.96Å; Y117-F121 HydrophobicContact CD2-CG 3.96Å; F121-M138 HydrophobicContact CE1-CE 4.12Å; F121-M138 HydrophobicContact CZ-CE 4.11Å; F121-D144 CarbonylContact O-C 3.58Å; F121-N146 HydrophobicContact CD1-CB 3.74Å; F121-N146 WeakPolarHBondContact CD1-O 3.38Å; F121-N146 HydrophobicContact CD2-CB 4.17Å; F121-N146 HydrophobicContact CE1-CB 3.39Å; F121-N146 HydrophobicContact CE2-CB 3.86Å; F121-N146 HydrophobicContact CG-CB 4.12Å; F121-N146 HydrophobicContact CZ-CB 3.46Å; F121-N146 VanDerWaalsContact CZ-CB 3.46Å; F121-N146 PolarHBondContact N-O 3.18Å; F121-N146 WeakPolarHBondContact O-CB 3.29Å; F121-N146 PolarHBondContact O-N 2.78Å; F121-N146 VanDerWaalsContact O-N 3.12Å; F121-N146 PolarHBondContact O-ND2 2.96Å; F121-G147 WeakPolarHBondContact CE1-O 3.46Å
122	A	98.8	Very high	97.8	Very high	57 Å²	57	49.1 Å²	49.1	47%	0.471	27%	0.269	S	S	.	.			trans	-64.2	156.9	-174.6	0	0	0	0	0	113.8	E124 D144 N146	A122-E124 PolarHBondContact O-N 3.35Å; A122-E124 VanDerWaalsContact O-N 3.13Å; A122-D144 VanDerWaalsContact CA-OD1 3.27Å; A122-D144 WeakPolarHBondContact CA-OD1 3.12Å; A122-D144 HydrophobicContact CB-CB 4.33Å; A122-D144 WeakPolarHBondContact CB-OD1 3.37Å; A122-N146 PolarHBondContact O-ND2 2.88Å
123	D	98.9	Very high	97.7	Very high	26 Å²	26	50.1 Å²	50.1	14%	0.139	28%	0.276	C	S	.	.			trans	-66.7	107.3	170.7	-67.3	-47.3	0	0	0	109.7	N125 F126 P143 D144 N146 V165	D123-N125 PolarHBondContact O-N 3.31Å; D123-F126 HydrophobicContact CB-CE1 4.13Å; D123-F126 HydrophobicContact CB-CE2 4.09Å; D123-F126 HydrophobicContact CB-CZ 3.51Å; D123-P143 WeakPolarHBondContact OD2-CA 3.26Å; D123-D144 PolarHBondContact N-OD1 2.95Å; D123-D144 PolarHBondContact OD2-N 2.65Å; D123-N146 WeakPolarHBondContact CA-ND2 3.25Å; D123-N146 PolarHBondContact N-ND2 2.98Å; D123-N146 PolarHBondContact OD1-ND2 2.89Å; D123-V165 HydrophobicContact CB-CG2 3.98Å
124	E	98.8	Very high	97.7	Very high	46 Å²	46	50.4 Å²	50.4	22%	0.215	28%	0.275	C	S	.	.			trans	-64.3	-44.1	-170.6	-176.1	170.9	-167.4	0	0	113.3	V67 P68 L69 T70 A122	V67-E124 VanDerWaalsContact C-CD 3.43Å; V67-E124 VanDerWaalsContact C-OE1 3.23Å; V67-E124 WeakPolarHBondContact CA-OE1 3.41Å; V67-E124 VanDerWaalsContact CA-OE2 3.23Å; V67-E124 WeakPolarHBondContact CA-OE2 3.22Å; V67-E124 HydrophobicContact CB-CG 4.47Å; V67-E124 VanDerWaalsContact CB-OE2 3.27Å; V67-E124 WeakPolarHBondContact CB-OE2 3.48Å; V67-E124 HydrophobicContact CG1-CB 4.33Å; V67-E124 HydrophobicContact CG1-CG 4.24Å; P68-E124 WeakPolarHBondContact CD-OE1 3.26Å; P68-E124 VanDerWaalsContact CG-OE1 3.3Å; P68-E124 WeakPolarHBondContact CG-OE1 3.29Å; L69-E124 PolarHBondContact N-OE1 2.97Å; L69-E124 PolarHBondContact N-OE2 2.96Å; T70-E124 WeakPolarHBondContact CB-OE2 3.31Å; T70-E124 PolarHBondContact N-OE2 2.96Å; T70-E124 PolarHBondContact OG1-OE2 3.32Å; A122-E124 PolarHBondContact O-N 3.35Å; A122-E124 VanDerWaalsContact O-N 3.13Å
125	N	98.6	Very high	97.7	Very high	31 Å²	31	48 Å²	48	17%	0.166	26%	0.264	C	S	.	.			trans	-175.3	170.1	163.8	59.2	87.5	0	0	0	110.7	V66 V67 D123 K127	V66-N125 PolarHBondContact O-ND2 2.78Å; V67-N125 WeakPolarHBondContact CG1-ND2 3.46Å; D123-N125 PolarHBondContact O-N 3.31Å; N125-K127 HydrophobicContact CB-CG 4.35Å; N125-K127 WeakPolarHBondContact OD1-CB 3.48Å; N125-K127 VanDerWaalsContact OD1-CG 3.31Å; N125-K127 WeakPolarHBondContact OD1-CG 3.19Å; N125-K127 PolarHBondContact OD1-N 2.91Å
126	F	98.3	Very high	97.7	Very high	76 Å²	76	48 Å²	48	33%	0.333	26%	0.264	S	S	.	.			trans	-117.1	35.7	176.2	-53.5	-69.2	0	0	0	112.8	D123 L128 G162 V165	D123-F126 HydrophobicContact CB-CE1 4.13Å; D123-F126 HydrophobicContact CB-CE2 4.09Å; D123-F126 HydrophobicContact CB-CZ 3.51Å; F126-L128 VanDerWaalsContact C-N 3.31Å; F126-G162 WeakPolarHBondContact CE2-O 3.36Å; F126-G162 WeakPolarHBondContact CZ-O 3.45Å; F126-V165 HydrophobicContact CD1-CG2 4.5Å; F126-V165 HydrophobicContact CE1-CG2 4.08Å
127	K	96.8	Very high	97.7	Very high	146 Å²	146	46.3 Å²	46.3	64%	0.635	26%	0.255	S	S	*	.			trans	-66.4	-35.2	178.9	-68.9	173	-178.5	169.9	0	112.1	V66 N125	V66-K127 HydrophobicContact CG1-CB 4.12Å; V66-K127 HydrophobicContact CG1-CD 4.11Å; N125-K127 HydrophobicContact CB-CG 4.35Å; N125-K127 WeakPolarHBondContact OD1-CB 3.48Å; N125-K127 VanDerWaalsContact OD1-CG 3.31Å; N125-K127 WeakPolarHBondContact OD1-CG 3.19Å; N125-K127 PolarHBondContact OD1-N 2.91Å
128	L	96.5	Very high	97.7	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	-88.5	153	177	-54	-167.7	0	0	0	110.3	P38 F63 V66 F126 W135 V166 W216	P38-L128 HydrophobicContact CB-CD2 4.07Å; P38-L128 HydrophobicContact CG-CD2 4.27Å; F63-L128 HydrophobicContact CB-CD1 4.02Å; F63-L128 HydrophobicContact CD2-CD1 3.14Å; F63-L128 HydrophobicContact CE2-CD1 3.8Å; F63-L128 HydrophobicContact CG-CD1 3.87Å; V66-L128 HydrophobicContact CG1-CD1 4.34Å; V66-L128 HydrophobicContact CG1-CD2 3.88Å; V66-L128 HydrophobicContact CG1-CG 3.9Å; V66-L128 HydrophobicContact CG2-CD2 4.36Å; F126-L128 VanDerWaalsContact C-N 3.31Å; L128-W135 HydrophobicContact CD1-CZ3 4.45Å; L128-V166 HydrophobicContact CB-CB 3.69Å; L128-V166 HydrophobicContact CB-CG1 3.73Å; L128-V166 HydrophobicContact CD1-CG1 4.14Å; L128-V166 WeakPolarHBondContact CD1-O 3.46Å; L128-W216 HydrophobicContact CD2-CH2 3.15Å; L128-W216 HydrophobicContact CD2-CZ2 3.96Å; L128-W216 HydrophobicContact CD2-CZ3 3.83Å; L128-W216 HydrophobicContact CG-CH2 4.5Å
129	K	96.8	Very high	97.8	Very high	109 Å²	109	40.5 Å²	40.5	47%	0.474	22%	0.224	S	C	.	.			trans	-128.2	161.1	-176.4	-68.3	-176.4	-179.5	-178.2	0	111.6	L131 D161	K129-L131 VanDerWaalsContact C-N 3.26Å; K129-L131 HydrophobicContact CB-CD1 4.48Å; K129-L131 HydrophobicContact CB-CD2 3.71Å; K129-L131 HydrophobicContact CB-CG 3.84Å; K129-L131 HydrophobicContact CD-CD2 4.48Å; K129-L131 PolarHBondContact O-N 3.07Å; K129-D161 WeakPolarHBondContact CA-OD1 3.22Å; K129-D161 HydrophobicContact CG-CB 4.46Å
130	H	97.6	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.			trans	-82.7	68	179.8	-59.9	89.1	0	0	0	110.7	G132 S137 F151 L153 K156 A157 L160 D161 H164 V166	H130-G132 VanDerWaalsContact C-N 3.3Å; H130-G132 PolarHBondContact O-N 2.9Å; H130-S137 WeakPolarHBondContact NE2-CB 3.39Å; H130-S137 PolarHBondContact NE2-OG 2.8Å; H130-F151 AromaticContact CD2-CE2 3.95Å; H130-F151 AromaticContact NE2-CE2 4Å; H130-F151 AromaticContact NE2-CZ 3.61Å; H130-L153 HydrophobicContact CB-CD1 3.61Å; H130-K156 VanDerWaalsContact O-CG 3.29Å; H130-K156 WeakPolarHBondContact O-CG 3.38Å; H130-A157 HydrophobicContact CB-CB 4.2Å; H130-A157 WeakPolarHBondContact CB-O 3.32Å; H130-A157 PolarHBondContact O-N 2.95Å; H130-L160 PolarHBondContact CE1-O 3.5Å; H130-D161 WeakPolarHBondContact CB-OD1 3.39Å; H130-D161 IonicContact CE1-OD1 3.89Å; H130-D161 IonicContact CG-OD1 3.07Å; H130-D161 PolarHBondContact N-OD1 2.85Å; H130-D161 IonicContact ND1-OD1 2.85Å; H130-D161 PolarHBondContact ND1-OD1 3.31Å; H130-H164 PolarHBondContact CE1-O 3.05Å; H130-V166 WeakPolarHBondContact CE1-CG2 3.35Å; H130-V166 VanDerWaalsContact NE2-CG2 3.26Å; H130-V166 WeakPolarHBondContact NE2-CG2 3.37Å
131	L	94.6	Very high	97.8	Very high	61 Å²	61	38.2 Å²	38.2	32%	0.319	22%	0.219	S	C	.	.			trans	-79	-6.2	-164.1	-62.7	174	0	0	0	115.1	K129 W135 V213	K129-L131 VanDerWaalsContact C-N 3.26Å; K129-L131 HydrophobicContact CB-CD1 4.48Å; K129-L131 HydrophobicContact CB-CD2 3.71Å; K129-L131 HydrophobicContact CB-CG 3.84Å; K129-L131 HydrophobicContact CD-CD2 4.48Å; K129-L131 PolarHBondContact O-N 3.07Å; L131-W135 HydrophobicContact CB-CZ2 4.05Å; L131-W135 HydrophobicContact CD1-CH2 4.35Å; L131-W135 HydrophobicContact CD1-CZ2 3.86Å; L131-W135 HydrophobicContact CG-CZ2 4.29Å; L131-V213 HydrophobicContact CD1-CG1 3.24Å
132	G	94.6	Very high	97.8	Very high	15 Å²	15	38.4 Å²	38.4	16%	0.155	23%	0.227	C	C	.	.	S	Bend	trans	170.5	-163.7	177.6	0	0	0	0	0	112.7	H130 W135 T155	H130-G132 VanDerWaalsContact C-N 3.3Å; H130-G132 PolarHBondContact O-N 2.9Å; G132-W135 VanDerWaalsContact O-CD1 3.29Å; G132-T155 CarbonylContact C-O 3.57Å
133	A	96.9	Very high	97.8	Very high	37 Å²	37	40.7 Å²	40.7	31%	0.306	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	161.5	166.6	0	0	0	0	0	111.4	W135 L153 S154 M174	A133-W135 PolarHBondContact O-N 3Å; A133-L153 CarbonylContact C-O 3.22Å; A133-L153 WeakPolarHBondContact CA-O 3.35Å; A133-S154 VanDerWaalsContact CB-O 3.29Å; A133-S154 WeakPolarHBondContact CB-O 3.42Å; A133-M174 HydrophobicContact CB-CE 4.38Å
134	S	97.9	Very high	97.7	Very high	19 Å²	19	43.5 Å²	43.5	13%	0.133	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	-9.5	175.5	-43.7	0	0	0	0	115.7	L153 K169 V170 M174	S134-L153 PolarHBondContact N-O 2.89Å; S134-K169 CarbonylContact O-C 3.58Å; S134-K169 VanDerWaalsContact O-CA 3.22Å; S134-K169 WeakPolarHBondContact O-CA 3.27Å; S134-K169 WeakPolarHBondContact O-CG 3.23Å; S134-V170 PolarHBondContact O-N 2.84Å; S134-M174 WeakPolarHBondContact OG-CG 3.44Å; S134-M174 PolarHBondContact OG-SD 2.78Å
135	W	98.4	Very high	97.7	Very high	6 Å²	6	43.5 Å²	43.5	2%	0.023	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.5	176.6	-71.9	85.3	0	0	0	111.5	P38 F63 L128 L131 G132 A133 L153 V166 V213	P38-W135 HydrophobicContact CG-CH2 4.39Å; F63-W135 AromaticContact CE2-CE3 4Å; F63-W135 HydrophobicContact CE2-CE3 4Å; F63-W135 HydrophobicContact CE2-CH2 4.47Å; F63-W135 AromaticContact CE2-CZ3 3.54Å; F63-W135 HydrophobicContact CE2-CZ3 3.54Å; F63-W135 HydrophobicContact CZ-CZ3 4.01Å; L128-W135 HydrophobicContact CD1-CZ3 4.45Å; L131-W135 HydrophobicContact CB-CZ2 4.05Å; L131-W135 HydrophobicContact CD1-CH2 4.35Å; L131-W135 HydrophobicContact CD1-CZ2 3.86Å; L131-W135 HydrophobicContact CG-CZ2 4.29Å; G132-W135 VanDerWaalsContact O-CD1 3.29Å; A133-W135 PolarHBondContact O-N 3Å; W135-L153 HydrophobicContact CB-CD1 4.27Å; W135-L153 PolarHBondContact O-N 3.04Å; W135-V166 HydrophobicContact CD2-CG1 4.32Å; W135-V166 HydrophobicContact CE3-CG1 3.29Å; W135-V166 HydrophobicContact CZ3-CG1 3.71Å; W135-V213 HydrophobicContact CH2-CG2 3.85Å; W135-V213 HydrophobicContact CZ2-CG1 4.3Å; W135-V213 HydrophobicContact CZ2-CG2 3.69Å
136	V	98.9	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.2	-178.8	-168.1	0	0	0	0	109.3	I60 F150 F151 I152 F167 G168 V170	I60-V136 HydrophobicContact CD1-CG2 4.33Å; I60-V136 HydrophobicContact CG1-CG2 4.42Å; I60-V136 HydrophobicContact CG2-CB 4.33Å; I60-V136 HydrophobicContact CG2-CG2 3.72Å; V136-F150 HydrophobicContact CG1-CD2 4.13Å; V136-F151 WeakPolarHBondContact CA-O 3.32Å; V136-I152 HydrophobicContact CG1-CG1 4.29Å; V136-I152 HydrophobicContact CG2-CG1 4.11Å; V136-F167 HydrophobicContact CB-CZ 4.4Å; V136-F167 HydrophobicContact CG1-CE1 4.04Å; V136-F167 HydrophobicContact CG1-CE2 3.97Å; V136-F167 HydrophobicContact CG1-CZ 3.51Å; V136-F167 PolarHBondContact O-N 2.91Å; V136-G168 PolarHBondContact N-O 2.95Å; V136-G168 PolarHBondContact O-N 2.94Å; V136-V170 HydrophobicContact CG2-CG2 4.13Å
137	S	98.9	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.5	-170	-171.3	0	0	0	0	111.6	H130 F150 F151 H164 V165 V166 F167	H130-S137 WeakPolarHBondContact NE2-CB 3.39Å; H130-S137 PolarHBondContact NE2-OG 2.8Å; S137-F150 CarbonylContact O-C 3.42Å; S137-F150 VanDerWaalsContact O-CA 3.32Å; S137-F150 WeakPolarHBondContact O-CA 3.44Å; S137-F151 PolarHBondContact N-O 2.89Å; S137-F151 PolarHBondContact O-N 2.78Å; S137-H164 WeakPolarHBondContact OG-CB 3.2Å; S137-V165 WeakPolarHBondContact CA-O 3.48Å; S137-V165 VanDerWaalsContact OG-C 3.32Å; S137-V165 PolarHBondContact OG-O 3.38Å; S137-V165 VanDerWaalsContact OG-O 3.11Å; S137-V166 PolarHBondContact OG-N 2.91Å; S137-F167 VanDerWaalsContact C-CE1 3.45Å
138	M	98.9	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.5	-179.5	-67.9	-56.7	-63.3	0	0	110.9	T70 F121 N146 G147 Q149 F151 H164 V165 F167	T70-M138 HydrophobicContact CG2-CG 3.6Å; T70-M138 HydrophobicContact CG2-SD 3.8Å; F121-M138 HydrophobicContact CE1-CE 4.12Å; F121-M138 HydrophobicContact CZ-CE 4.11Å; M138-N146 WeakPolarHBondContact CB-OD1 3.4Å; M138-N146 HydrophobicContact CE-CB 4.08Å; M138-G147 WeakPolarHBondContact CE-O 3.46Å; M138-Q149 WeakPolarHBondContact CE-O 3.45Å; M138-F151 WeakPolarHBondContact O-CE1 3.44Å; M138-H164 WeakPolarHBondContact O-CB 3.25Å; M138-H164 PolarHBondContact O-ND1 2.9Å; M138-V165 HydrophobicContact CB-CB 4.44Å; M138-V165 HydrophobicContact CG-CB 4.25Å; M138-V165 PolarHBondContact N-O 3.28Å; M138-F167 HydrophobicContact CG-CD1 3.86Å; M138-F167 HydrophobicContact CG-CE1 3.94Å; M138-F167 HydrophobicContact SD-CD1 3.93Å; M138-F167 HydrophobicContact SD-CE1 3.52Å; M138-F167 VanDerWaalsContact SD-CE1 3.52Å; M138-F167 HydrophobicContact SD-CZ 4.23Å
139	A	98.8	Very high	98	Very high	10 Å²	10	32.9 Å²	32.9	8%	0.083	21%	0.21	C	C	.	.			trans	-78.5	145.1	162.1	0	0	0	0	0	109.1	Q149 F151	A139-Q149 HydrophobicContact CB-CB 3.78Å; A139-Q149 PolarHBondContact N-O 2.89Å; A139-F151 HydrophobicContact CB-CD1 4.35Å
140	N	98.5	Very high	98.1	Very high	38 Å²	38	27.7 Å²	27.7	20%	0.203	19%	0.188	C	C	.	.			trans	-150	168.4	177.5	67.9	35.3	0	0	0	110.3	G142 T145 K163 H164	N140-G142 PolarHBondContact OD1-N 3.2Å; N140-T145 WeakPolarHBondContact CB-OG1 2.98Å; N140-K163 PolarHBondContact ND2-O 2.69Å; N140-H164 PolarHBondContact OD1-CE1 3.33Å; N140-H164 VanDerWaalsContact OD1-CE1 3.25Å
141	A	97.7	Very high	98.2	Very high	99 Å²	99	28.1 Å²	28.1	82%	0.818	19%	0.19	S	C	*	.	S	Bend	trans	-109.8	28.5	177.2	0	0	0	0	0	111.8	T145	A141-T145 PolarHBondContact N-OG1 2.75Å
142	G	97.9	Very high	98.4	Very high	26 Å²	26	25.2 Å²	25.2	27%	0.268	17%	0.174	S	C	.	.	S	Bend	trans	125.2	178.8	-171.5	0	0	0	0	0	112.4	N140 D144 T145	N140-G142 PolarHBondContact OD1-N 3.2Å; G142-D144 PolarHBondContact O-N 3.16Å; G142-T145 PolarHBondContact N-OG1 3.21Å; G142-T145 PolarHBondContact O-N 3.45Å; G142-T145 PolarHBondContact O-OG1 2.91Å
143	P	98.6	Very high	98.6	Very high	105 Å²	105	24.5 Å²	24.5	68%	0.682	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	138.5	-179.3	-25.9	34.8	0	0	0	112.3	D123 T145	D123-P143 WeakPolarHBondContact OD2-CA 3.26Å; P143-T145 VanDerWaalsContact C-N 3.27Å; P143-T145 PolarHBondContact O-N 3.09Å
144	D	98.5	Very high	98.6	Very high	85 Å²	85	23.5 Å²	23.5	46%	0.455	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	29	173.2	-56.5	-47.3	0	0	0	115.7	F121 A122 D123 G142	F121-D144 CarbonylContact O-C 3.58Å; A122-D144 VanDerWaalsContact CA-OD1 3.27Å; A122-D144 WeakPolarHBondContact CA-OD1 3.12Å; A122-D144 HydrophobicContact CB-CB 4.33Å; A122-D144 WeakPolarHBondContact CB-OD1 3.37Å; D123-D144 PolarHBondContact N-OD1 2.95Å; D123-D144 PolarHBondContact OD2-N 2.65Å; G142-D144 PolarHBondContact O-N 3.16Å
145	T	98.8	Very high	98.6	Very high	46 Å²	46	25.4 Å²	25.4	28%	0.282	17%	0.168	S	C	.	.			trans	-115.2	30.8	179.2	61.1	0	0	0	0	113.7	N140 A141 G142 P143 G147	N140-T145 WeakPolarHBondContact CB-OG1 2.98Å; A141-T145 PolarHBondContact N-OG1 2.75Å; G142-T145 PolarHBondContact N-OG1 3.21Å; G142-T145 PolarHBondContact O-N 3.45Å; G142-T145 PolarHBondContact O-OG1 2.91Å; P143-T145 VanDerWaalsContact C-N 3.27Å; P143-T145 PolarHBondContact O-N 3.09Å; T145-G147 PolarHBondContact O-N 2.92Å
146	N	98.9	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-67.6	132	176.6	-58.2	-72.8	0	0	0	110	T120 F121 A122 D123 M138	T120-N146 CarbonylContact C-O 3.55Å; T120-N146 WeakPolarHBondContact CA-O 3.47Å; F121-N146 HydrophobicContact CD1-CB 3.74Å; F121-N146 WeakPolarHBondContact CD1-O 3.38Å; F121-N146 HydrophobicContact CD2-CB 4.17Å; F121-N146 HydrophobicContact CE1-CB 3.39Å; F121-N146 HydrophobicContact CE2-CB 3.86Å; F121-N146 HydrophobicContact CG-CB 4.12Å; F121-N146 HydrophobicContact CZ-CB 3.46Å; F121-N146 VanDerWaalsContact CZ-CB 3.46Å; F121-N146 PolarHBondContact N-O 3.18Å; F121-N146 WeakPolarHBondContact O-CB 3.29Å; F121-N146 PolarHBondContact O-N 2.78Å; F121-N146 VanDerWaalsContact O-N 3.12Å; F121-N146 PolarHBondContact O-ND2 2.96Å; A122-N146 PolarHBondContact O-ND2 2.88Å; D123-N146 WeakPolarHBondContact CA-ND2 3.25Å; D123-N146 PolarHBondContact N-ND2 2.98Å; D123-N146 PolarHBondContact OD1-ND2 2.89Å; M138-N146 WeakPolarHBondContact CB-OD1 3.4Å; M138-N146 HydrophobicContact CE-CB 4.08Å
147	G	98.8	Very high	98.4	Very high	9 Å²	9	30.5 Å²	30.5	9%	0.093	19%	0.191	C	C	.	.			trans	-123.7	-116.6	177.6	0	0	0	0	0	111.1	N73 F121 M138 T145	N73-G147 PolarHBondContact ND2-O 2.85Å; F121-G147 WeakPolarHBondContact CE1-O 3.46Å; M138-G147 WeakPolarHBondContact CE-O 3.46Å; T145-G147 PolarHBondContact O-N 2.92Å
148	S	98.9	Very high	98.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	21%	0.21	C	C	.	.	S	Bend	trans	-108.8	-17.6	172.9	58.6	0	0	0	0	114.1	Y86 G103 F105 G113 H114	Y86-S148 VanDerWaalsContact CE1-O 3.26Å; Y86-S148 WeakPolarHBondContact CE1-O 3.3Å; Y86-S148 PolarHBondContact OH-O 3.27Å; G103-S148 VanDerWaalsContact O-CB 3.3Å; G103-S148 WeakPolarHBondContact O-CB 3.23Å; G103-S148 PolarHBondContact O-OG 2.85Å; F105-S148 WeakPolarHBondContact CE1-OG 3.39Å; G113-S148 WeakPolarHBondContact CA-OG 3.41Å; H114-S148 PolarHBondContact N-OG 3.42Å; H114-S148 WeakPolarHBondContact O-CB 3.23Å
149	Q	98.9	Very high	98.3	Very high	24 Å²	24	40.2 Å²	40.2	11%	0.112	24%	0.236	C	C	.	.			trans	-70.7	141.8	-176.3	-65.6	-173.9	46.1	0	0	111.4	H92 G102 D104 G110 G112 M138 A139	H92-Q149 PolarHBondContact CE1-OE1 3.44Å; H92-Q149 PolarHBondContact NE2-OE1 2.77Å; G102-Q149 VanDerWaalsContact O-CA 3.25Å; G102-Q149 WeakPolarHBondContact O-CA 3.47Å; D104-Q149 HydrophobicContact CB-CG 3.99Å; G110-Q149 VanDerWaalsContact C-NE2 3.29Å; G110-Q149 PolarHBondContact O-NE2 3.09Å; G112-Q149 PolarHBondContact O-NE2 2.94Å; M138-Q149 WeakPolarHBondContact CE-O 3.45Å; A139-Q149 HydrophobicContact CB-CB 3.78Å; A139-Q149 PolarHBondContact N-O 2.89Å
150	F	98.9	Very high	98.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	164.3	-178.4	68.7	-86.3	0	0	0	109.8	F46 F74 Y86 F91 Q101 G102 V136 S137 I152 F167 I197	F46-F150 HydrophobicContact CD2-CZ 4.38Å; F46-F150 HydrophobicContact CE2-CE1 4.29Å; F46-F150 AromaticContact CE2-CE2 3.84Å; F46-F150 HydrophobicContact CE2-CE2 3.84Å; F46-F150 AromaticContact CE2-CZ 3.46Å; F46-F150 HydrophobicContact CE2-CZ 3.46Å; F46-F150 VanDerWaalsContact CE2-CZ 3.46Å; F46-F150 HydrophobicContact CZ-CE1 4.27Å; F46-F150 AromaticContact CZ-CZ 3.87Å; F46-F150 HydrophobicContact CZ-CZ 3.87Å; F74-F150 HydrophobicContact CE2-CB 4.11Å; F74-F150 AromaticContact CE2-CD1 3.63Å; F74-F150 HydrophobicContact CE2-CD1 3.63Å; F74-F150 HydrophobicContact CE2-CD2 4.13Å; F74-F150 HydrophobicContact CE2-CE1 4.03Å; F74-F150 HydrophobicContact CE2-CE2 4.5Å; F74-F150 AromaticContact CE2-CG 3.69Å; F74-F150 HydrophobicContact CE2-CG 3.69Å; F74-F150 HydrophobicContact CE2-CZ 4.45Å; F74-F150 HydrophobicContact CZ-CD1 4.44Å; F74-F150 HydrophobicContact CZ-CD2 4.43Å; F74-F150 HydrophobicContact CZ-CE1 4.48Å; F74-F150 HydrophobicContact CZ-CE2 4.49Å; F74-F150 HydrophobicContact CZ-CG 4.41Å; Y86-F150 HydrophobicContact CD1-CE1 4.22Å; Y86-F150 HydrophobicContact CE1-CD1 4.09Å; Y86-F150 AromaticContact CE1-CE1 4Å; Y86-F150 HydrophobicContact CE1-CE1 4Å; Y86-F150 HydrophobicContact CE2-CE1 4.5Å; F91-F150 HydrophobicContact CE1-CE2 4.13Å; F91-F150 HydrophobicContact CE1-CZ 4.18Å; F91-F150 HydrophobicContact CZ-CZ 4.44Å; Q101-F150 WeakPolarHBondContact CA-O 3.48Å; G102-F150 PolarHBondContact N-O 2.8Å; G102-F150 PolarHBondContact O-N 3.4Å; V136-F150 HydrophobicContact CG1-CD2 4.13Å; S137-F150 CarbonylContact O-C 3.42Å; S137-F150 VanDerWaalsContact O-CA 3.32Å; S137-F150 WeakPolarHBondContact O-CA 3.44Å; F150-I152 HydrophobicContact CD2-CG1 4.32Å; F150-I152 HydrophobicContact CE2-CD1 4.29Å; F150-I152 HydrophobicContact CE2-CG1 4.14Å; F150-F167 HydrophobicContact CB-CE1 4.36Å; F150-F167 HydrophobicContact CB-CZ 4.22Å; F150-I197 HydrophobicContact CZ-CD1 4.12Å
151	F	98.9	Very high	98.3	Very high	10 Å²	10	40.9 Å²	40.9	4%	0.044	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.2	169.4	62.1	-91.1	0	0	0	112.1	M99 I100 Q101 H130 V136 S137 M138 A139 L153 L160 H164	M99-F151 HydrophobicContact CB-CB 4.37Å; M99-F151 HydrophobicContact CB-CD2 4.26Å; M99-F151 HydrophobicContact SD-CB 3.94Å; I100-F151 CarbonylContact O-C 3.52Å; I100-F151 WeakPolarHBondContact O-CA 3.22Å; I100-F151 WeakPolarHBondContact O-CB 3.05Å; Q101-F151 HydrophobicContact CB-CB 4.09Å; H130-F151 AromaticContact CD2-CE2 3.95Å; H130-F151 AromaticContact NE2-CE2 4Å; H130-F151 AromaticContact NE2-CZ 3.61Å; V136-F151 WeakPolarHBondContact CA-O 3.32Å; S137-F151 PolarHBondContact N-O 2.89Å; S137-F151 PolarHBondContact O-N 2.78Å; M138-F151 WeakPolarHBondContact O-CE1 3.44Å; A139-F151 HydrophobicContact CB-CD1 4.35Å; F151-L153 HydrophobicContact CD2-CD2 3.82Å; F151-L153 HydrophobicContact CD2-CG 4.08Å; F151-L153 HydrophobicContact CE2-CD1 4.46Å; F151-L153 HydrophobicContact CE2-CD2 3.67Å; F151-L153 HydrophobicContact CE2-CG 3.89Å; F151-L160 HydrophobicContact CE2-CD1 3.84Å; F151-L160 HydrophobicContact CZ-CD1 3.67Å; F151-H164 HydrophobicContact CE1-CB 4.11Å; F151-H164 AromaticContact CE1-CG 3.97Å; F151-H164 AromaticContact CE1-ND1 3.86Å; F151-H164 HydrophobicContact CZ-CB 4.06Å
152	I	98.9	Very high	98.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.8	171.6	-54	179.2	0	0	0	107.3	I58 I60 M99 I100 V136 F150 V170 V177	I58-I152 HydrophobicContact CD1-CD1 4.48Å; I58-I152 HydrophobicContact CG2-CD1 4.39Å; I60-I152 HydrophobicContact CD1-CD1 4.31Å; M99-I152 VanDerWaalsContact CA-O 3.23Å; M99-I152 WeakPolarHBondContact CA-O 3.44Å; M99-I152 WeakPolarHBondContact CB-O 3.45Å; I100-I152 HydrophobicContact CD1-CB 4.37Å; I100-I152 HydrophobicContact CD1-CD1 4.31Å; I100-I152 HydrophobicContact CG1-CB 3.85Å; I100-I152 HydrophobicContact CG1-CG1 4.42Å; I100-I152 PolarHBondContact N-O 3.5Å; I100-I152 PolarHBondContact O-N 2.87Å; V136-I152 HydrophobicContact CG1-CG1 4.29Å; V136-I152 HydrophobicContact CG2-CG1 4.11Å; F150-I152 HydrophobicContact CD2-CG1 4.32Å; F150-I152 HydrophobicContact CE2-CD1 4.29Å; F150-I152 HydrophobicContact CE2-CG1 4.14Å; I152-V170 HydrophobicContact CD1-CG2 4.16Å; I152-V170 HydrophobicContact CG2-CG2 3.62Å; I152-V177 HydrophobicContact CD1-CG2 4.27Å; I152-V177 HydrophobicContact CG2-CG1 3.99Å; I152-V177 HydrophobicContact CG2-CG2 4.14Å
153	L	98.8	Very high	98.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	141.7	179.3	-71.4	-177.5	0	0	0	112.4	F98 M99 H130 A133 S134 W135 F151 A157	F98-L153 HydrophobicContact CD2-CD2 4.19Å; F98-L153 HydrophobicContact CE2-CD2 4.03Å; M99-L153 HydrophobicContact CB-CD2 3.97Å; H130-L153 HydrophobicContact CB-CD1 3.61Å; A133-L153 CarbonylContact C-O 3.22Å; A133-L153 WeakPolarHBondContact CA-O 3.35Å; S134-L153 PolarHBondContact N-O 2.89Å; W135-L153 HydrophobicContact CB-CD1 4.27Å; W135-L153 PolarHBondContact O-N 3.04Å; F151-L153 HydrophobicContact CD2-CD2 3.82Å; F151-L153 HydrophobicContact CD2-CG 4.08Å; F151-L153 HydrophobicContact CE2-CD1 4.46Å; F151-L153 HydrophobicContact CE2-CD2 3.67Å; F151-L153 HydrophobicContact CE2-CG 3.89Å; L153-A157 HydrophobicContact CD1-CB 3.91Å; L153-A157 HydrophobicContact CD2-CB 3.91Å
154	S	97.7	Very high	98.4	Very high	16 Å²	16	39.2 Å²	39.2	11%	0.112	21%	0.207	C	C	.	.	S	Bend	trans	-103.7	-10.9	167.1	-68.1	0	0	0	0	113	F98 A133 E181	F98-S154 PolarHBondContact O-N 2.99Å; A133-S154 VanDerWaalsContact CB-O 3.29Å; A133-S154 WeakPolarHBondContact CB-O 3.42Å; S154-E181 WeakPolarHBondContact CB-OE1 3.06Å; S154-E181 WeakPolarHBondContact CB-OE2 3.47Å; S154-E181 PolarHBondContact OG-OE1 2.81Å; S154-E181 PolarHBondContact OG-OE2 2.84Å
155	T	97.1	Very high	98.4	Very high	58 Å²	58	35.2 Å²	35.2	36%	0.356	19%	0.185	S	C	.	.	S	Bend	trans	-144.1	173.1	174.5	-164.3	0	0	0	0	111.8	D97 G132	D97-T155 WeakPolarHBondContact O-CG2 3.15Å; G132-T155 CarbonylContact C-O 3.57Å
156	K	96.6	Very high	98.4	Very high	114 Å²	114	33.1 Å²	33.1	50%	0.496	17%	0.172	S	C	.	.			trans	-68.6	132.1	174	-166	-176.1	179.4	172.5	0	110.6	H130	H130-K156 VanDerWaalsContact O-CG 3.29Å; H130-K156 WeakPolarHBondContact O-CG 3.38Å
157	A	97.4	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.			trans	-132.2	63.4	-175.8	0	0	0	0	0	112.8	F98 H130 L153 W159 L160	F98-A157 HydrophobicContact CD2-CB 4.49Å; F98-A157 HydrophobicContact CE2-CB 3.98Å; H130-A157 HydrophobicContact CB-CB 4.2Å; H130-A157 WeakPolarHBondContact CB-O 3.32Å; H130-A157 PolarHBondContact O-N 2.95Å; L153-A157 HydrophobicContact CD1-CB 3.91Å; L153-A157 HydrophobicContact CD2-CB 3.91Å; A157-W159 HydrophobicContact CB-CD2 4.44Å; A157-W159 HydrophobicContact CB-CH2 4.02Å; A157-W159 HydrophobicContact CB-CZ2 3.7Å; A157-W159 PolarHBondContact O-N 3.24Å; A157-W159 VanDerWaalsContact O-N 3.1Å; A157-L160 HydrophobicContact CB-CD1 3.85Å; A157-L160 HydrophobicContact CB-CG 4.14Å; A157-L160 WeakPolarHBondContact O-CB 3.32Å; A157-L160 PolarHBondContact O-N 2.92Å; A157-L160 VanDerWaalsContact O-N 3.08Å
158	P	97.4	Very high	98.4	Very high	63 Å²	63	32.7 Å²	32.7	41%	0.409	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-65.6	-18.6	-172.3	29.6	-35.4	0	0	0	113.5	L160 D161	P158-L160 PolarHBondContact O-N 3.02Å; P158-D161 WeakPolarHBondContact O-CB 3.4Å; P158-D161 PolarHBondContact O-N 3.35Å; P158-D161 VanDerWaalsContact O-N 3.13Å
159	W	98.4	Very high	98.4	Very high	140 Å²	140	35 Å²	35	53%	0.53	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-68.2	-12.1	175.7	58.6	86.7	0	0	0	113.7	F98 A157 K163	F98-W159 AromaticContact CD2-CZ2 3.96Å; F98-W159 HydrophobicContact CD2-CZ2 3.96Å; F98-W159 AromaticContact CE2-CZ2 3.74Å; F98-W159 HydrophobicContact CE2-CZ2 3.74Å; F98-W159 HydrophobicContact CZ-CZ2 4.45Å; A157-W159 HydrophobicContact CB-CD2 4.44Å; A157-W159 HydrophobicContact CB-CH2 4.02Å; A157-W159 HydrophobicContact CB-CZ2 3.7Å; A157-W159 PolarHBondContact O-N 3.24Å; A157-W159 VanDerWaalsContact O-N 3.1Å; W159-K163 PolarHBondContact O-NZ 3.01Å
160	L	98.5	Very high	98.3	Very high	19 Å²	19	34.2 Å²	34.2	10%	0.099	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-93.1	-11.1	174	-56	-177.1	0	0	0	113	F98 H130 F151 A157 P158 G162 K163 H164	F98-L160 HydrophobicContact CE2-CD1 3.93Å; F98-L160 HydrophobicContact CZ-CD1 4.01Å; H130-L160 PolarHBondContact CE1-O 3.5Å; F151-L160 HydrophobicContact CE2-CD1 3.84Å; F151-L160 HydrophobicContact CZ-CD1 3.67Å; A157-L160 HydrophobicContact CB-CD1 3.85Å; A157-L160 HydrophobicContact CB-CG 4.14Å; A157-L160 WeakPolarHBondContact O-CB 3.32Å; A157-L160 PolarHBondContact O-N 2.92Å; A157-L160 VanDerWaalsContact O-N 3.08Å; P158-L160 PolarHBondContact O-N 3.02Å; L160-G162 PolarHBondContact O-N 3.41Å; L160-K163 WeakPolarHBondContact O-CB 3.31Å; L160-K163 PolarHBondContact O-N 3.05Å; L160-K163 VanDerWaalsContact O-N 3.08Å; L160-H164 PolarHBondContact O-N 3.22Å
161	D	98.3	Very high	98.3	Very high	43 Å²	43	37.2 Å²	37.2	23%	0.23	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	135.4	178.6	-68.2	-13.2	0	0	0	110.5	K129 H130 P158 K163	K129-D161 WeakPolarHBondContact CA-OD1 3.22Å; K129-D161 HydrophobicContact CG-CB 4.46Å; H130-D161 WeakPolarHBondContact CB-OD1 3.39Å; H130-D161 IonicContact CE1-OD1 3.89Å; H130-D161 IonicContact CG-OD1 3.07Å; H130-D161 PolarHBondContact N-OD1 2.85Å; H130-D161 IonicContact ND1-OD1 2.85Å; H130-D161 PolarHBondContact ND1-OD1 3.31Å; P158-D161 WeakPolarHBondContact O-CB 3.4Å; P158-D161 PolarHBondContact O-N 3.35Å; P158-D161 VanDerWaalsContact O-N 3.13Å; D161-K163 PolarHBondContact O-N 3Å
162	G	98.3	Very high	98.3	Very high	43 Å²	43	42 Å²	42	44%	0.443	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	4.4	-175.6	0	0	0	0	0	114.9	F126 L160	F126-G162 WeakPolarHBondContact CE2-O 3.36Å; F126-G162 WeakPolarHBondContact CZ-O 3.45Å; L160-G162 PolarHBondContact O-N 3.41Å
163	K	98.7	Very high	98.3	Very high	124 Å²	124	42.4 Å²	42.4	54%	0.539	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-29.8	-179.5	-59	175.4	-172.6	161.2	0	113.6	N140 W159 L160 D161	N140-K163 PolarHBondContact ND2-O 2.69Å; W159-K163 PolarHBondContact O-NZ 3.01Å; L160-K163 WeakPolarHBondContact O-CB 3.31Å; L160-K163 PolarHBondContact O-N 3.05Å; L160-K163 VanDerWaalsContact O-N 3.08Å; D161-K163 PolarHBondContact O-N 3Å
164	H	98.9	Very high	98.3	Very high	29 Å²	29	44.1 Å²	44.1	13%	0.134	23%	0.229	C	C	.	.	S	Bend	trans	-125.5	131.7	178.9	-65.4	-87.1	0	0	0	109.7	H130 S137 M138 N140 F151 L160 V166	H130-H164 PolarHBondContact CE1-O 3.05Å; S137-H164 WeakPolarHBondContact OG-CB 3.2Å; M138-H164 WeakPolarHBondContact O-CB 3.25Å; M138-H164 PolarHBondContact O-ND1 2.9Å; N140-H164 PolarHBondContact OD1-CE1 3.33Å; N140-H164 VanDerWaalsContact OD1-CE1 3.25Å; F151-H164 HydrophobicContact CE1-CB 4.11Å; F151-H164 AromaticContact CE1-CG 3.97Å; F151-H164 AromaticContact CE1-ND1 3.86Å; F151-H164 HydrophobicContact CZ-CB 4.06Å; L160-H164 PolarHBondContact O-N 3.22Å; H164-V166 PolarHBondContact O-N 2.81Å
165	V	98.9	Very high	98.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.			trans	-74.3	107.8	180	-179.1	0	0	0	0	109.2	V67 T70 D123 F126 S137 M138	V67-V165 HydrophobicContact CG1-CG1 3.89Å; T70-V165 HydrophobicContact CG2-CG1 4.2Å; D123-V165 HydrophobicContact CB-CG2 3.98Å; F126-V165 HydrophobicContact CD1-CG2 4.5Å; F126-V165 HydrophobicContact CE1-CG2 4.08Å; S137-V165 WeakPolarHBondContact CA-O 3.48Å; S137-V165 VanDerWaalsContact OG-C 3.32Å; S137-V165 PolarHBondContact OG-O 3.38Å; S137-V165 VanDerWaalsContact OG-O 3.11Å; M138-V165 HydrophobicContact CB-CB 4.44Å; M138-V165 HydrophobicContact CG-CB 4.25Å; M138-V165 PolarHBondContact N-O 3.28Å
166	V	98.8	Very high	98.4	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.5	170.1	175.1	0	0	0	0	108.6	L128 H130 W135 S137 H164	L128-V166 HydrophobicContact CB-CB 3.69Å; L128-V166 HydrophobicContact CB-CG1 3.73Å; L128-V166 HydrophobicContact CD1-CG1 4.14Å; L128-V166 WeakPolarHBondContact CD1-O 3.46Å; H130-V166 WeakPolarHBondContact CE1-CG2 3.35Å; H130-V166 VanDerWaalsContact NE2-CG2 3.26Å; H130-V166 WeakPolarHBondContact NE2-CG2 3.37Å; W135-V166 HydrophobicContact CD2-CG1 4.32Å; W135-V166 HydrophobicContact CE3-CG1 3.29Å; W135-V166 HydrophobicContact CZ3-CG1 3.71Å; S137-V166 PolarHBondContact OG-N 2.91Å; H164-V166 PolarHBondContact O-N 2.81Å
167	F	98.8	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	-6.4	-173.3	69.3	-94	0	0	0	115	L62 F63 V67 T70 V71 F74 V136 S137 M138 F150	L62-F167 HydrophobicContact CD2-CD2 3.71Å; L62-F167 HydrophobicContact CD2-CE2 3.71Å; F63-F167 VanDerWaalsContact CD2-O 3.3Å; F63-F167 WeakPolarHBondContact CD2-O 3.29Å; F63-F167 PolarHBondContact N-O 2.89Å; V67-F167 HydrophobicContact CG2-CB 3.62Å; T70-F167 HydrophobicContact CG2-CB 3.64Å; T70-F167 HydrophobicContact CG2-CD1 3.75Å; T70-F167 HydrophobicContact CG2-CD2 4.47Å; T70-F167 HydrophobicContact CG2-CG 3.7Å; V71-F167 HydrophobicContact CG2-CB 4.49Å; F74-F167 HydrophobicContact CB-CD2 4.5Å; F74-F167 HydrophobicContact CB-CE2 3.93Å; F74-F167 HydrophobicContact CB-CZ 4.47Å; F74-F167 AromaticContact CD1-CE2 3.77Å; F74-F167 HydrophobicContact CD1-CE2 3.77Å; F74-F167 HydrophobicContact CD1-CZ 4.44Å; F74-F167 AromaticContact CD2-CE2 3.56Å; F74-F167 HydrophobicContact CD2-CE2 3.56Å; F74-F167 AromaticContact CD2-CZ 3.43Å; F74-F167 HydrophobicContact CD2-CZ 3.43Å; F74-F167 VanDerWaalsContact CD2-CZ 3.43Å; F74-F167 HydrophobicContact CE1-CE2 4.09Å; F74-F167 AromaticContact CE2-CE2 3.91Å; F74-F167 HydrophobicContact CE2-CE2 3.91Å; F74-F167 AromaticContact CE2-CZ 3.6Å; F74-F167 HydrophobicContact CE2-CZ 3.6Å; F74-F167 HydrophobicContact CG-CD2 4.43Å; F74-F167 AromaticContact CG-CE2 3.47Å; F74-F167 HydrophobicContact CG-CE2 3.47Å; F74-F167 VanDerWaalsContact CG-CE2 3.47Å; F74-F167 AromaticContact CG-CZ 3.88Å; F74-F167 HydrophobicContact CG-CZ 3.88Å; F74-F167 HydrophobicContact CZ-CE2 4.13Å; F74-F167 HydrophobicContact CZ-CZ 4.15Å; V136-F167 HydrophobicContact CB-CZ 4.4Å; V136-F167 HydrophobicContact CG1-CE1 4.04Å; V136-F167 HydrophobicContact CG1-CE2 3.97Å; V136-F167 HydrophobicContact CG1-CZ 3.51Å; V136-F167 PolarHBondContact O-N 2.91Å; S137-F167 VanDerWaalsContact C-CE1 3.45Å; M138-F167 HydrophobicContact CG-CD1 3.86Å; M138-F167 HydrophobicContact CG-CE1 3.94Å; M138-F167 HydrophobicContact SD-CD1 3.93Å; M138-F167 HydrophobicContact SD-CE1 3.52Å; M138-F167 VanDerWaalsContact SD-CE1 3.52Å; M138-F167 HydrophobicContact SD-CZ 4.23Å; F150-F167 HydrophobicContact CB-CE1 4.36Å; F150-F167 HydrophobicContact CB-CZ 4.22Å
168	G	98.6	Very high	98.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	178.3	178.7	0	0	0	0	0	114.2	G61 V136	G61-G168 CarbonylContact O-C 3.52Å; G61-G168 WeakPolarHBondContact O-CA 3.43Å; V136-G168 PolarHBondContact N-O 2.95Å; V136-G168 PolarHBondContact O-N 2.94Å
169	K	98.6	Very high	98.6	Very high	49 Å²	49	42 Å²	42	21%	0.213	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.8	171.2	-167	-174.7	-174.5	178.4	0	109.9	G61 F63 S134 L171 V211	G61-K169 PolarHBondContact N-O 3.24Å; G61-K169 PolarHBondContact O-N 3.36Å; F63-K169 HydrophobicContact CE2-CB 4.44Å; F63-K169 HydrophobicContact CZ-CB 3.81Å; S134-K169 CarbonylContact O-C 3.58Å; S134-K169 VanDerWaalsContact O-CA 3.22Å; S134-K169 WeakPolarHBondContact O-CA 3.27Å; S134-K169 WeakPolarHBondContact O-CG 3.23Å; K169-L171 PolarHBondContact O-N 3.06Å; K169-V211 HydrophobicContact CD-CG1 3.56Å
170	V	98.7	Very high	98.6	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	122.9	168.9	-179.3	0	0	0	0	108.5	I58 V59 I60 S134 V136 I152 D172 M174 V177	I58-V170 HydrophobicContact CG2-CG1 3.93Å; I58-V170 HydrophobicContact CG2-CG2 4.01Å; V59-V170 CarbonylContact O-C 3.54Å; V59-V170 WeakPolarHBondContact O-CA 3.37Å; I60-V170 HydrophobicContact CG1-CG2 4.34Å; S134-V170 PolarHBondContact O-N 2.84Å; V136-V170 HydrophobicContact CG2-CG2 4.13Å; I152-V170 HydrophobicContact CD1-CG2 4.16Å; I152-V170 HydrophobicContact CG2-CG2 3.62Å; V170-D172 WeakPolarHBondContact CG1-O 2.99Å; V170-M174 HydrophobicContact CB-CG 4.2Å; V170-M174 HydrophobicContact CB-SD 3.8Å; V170-M174 HydrophobicContact CG1-CG 3.81Å; V170-M174 HydrophobicContact CG1-SD 3.85Å; V170-M174 HydrophobicContact CG2-SD 4.05Å; V170-V177 HydrophobicContact CG2-CG2 4.4Å
171	L	98.2	Very high	98.6	Very high	64 Å²	64	34.9 Å²	34.9	34%	0.335	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-31	177.5	-58.8	179.3	0	0	0	111.7	V40 K43 V59 K169 F209 V211	V40-L171 HydrophobicContact CG1-CD1 4.4Å; V40-L171 HydrophobicContact CG2-CD2 4.42Å; K43-L171 HydrophobicContact CD-CD1 4.2Å; K43-L171 HydrophobicContact CG-CD1 4.18Å; V59-L171 PolarHBondContact O-N 2.61Å; K169-L171 PolarHBondContact O-N 3.06Å; L171-F209 HydrophobicContact CD1-CE2 4.37Å; L171-F209 HydrophobicContact CD1-CZ 3.82Å; L171-V211 HydrophobicContact CD2-CG2 3.76Å
172	D	98.6	Very high	98.7	Very high	111 Å²	111	38.1 Å²	38.1	59%	0.594	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.5	151.7	179.1	-170.5	18.9	0	0	0	109.8	V59 V170	V59-D172 HydrophobicContact CB-CB 4.1Å; V59-D172 HydrophobicContact CG2-CB 4.31Å; V59-D172 PolarHBondContact N-O 2.88Å; V59-D172 PolarHBondContact O-N 3.03Å; V170-D172 WeakPolarHBondContact CG1-O 2.99Å
173	G	98.6	Very high	98.7	Very high	8 Å²	8	38.2 Å²	38.2	8%	0.082	20%	0.204	C	C	.	.			trans	87.1	21.1	178.8	0	0	0	0	0	115.7	R57 A175 V176 V177	R57-G173 VanDerWaalsContact O-CA 3.3Å; R57-G173 WeakPolarHBondContact O-CA 3.3Å; G173-A175 PolarHBondContact O-N 2.93Å; G173-V176 WeakPolarHBondContact O-CA 3.38Å; G173-V176 VanDerWaalsContact O-CB 3.29Å; G173-V176 WeakPolarHBondContact O-CB 3.46Å; G173-V176 PolarHBondContact O-N 3.3Å; G173-V177 PolarHBondContact O-N 2.84Å
174	M	98.5	Very high	98.7	Very high	36 Å²	36	38.5 Å²	38.5	18%	0.177	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-27.6	171.2	-83.2	-58.4	-57.7	0	0	113	A133 S134 V170 V176 V177 H178	A133-M174 HydrophobicContact CB-CE 4.38Å; S134-M174 WeakPolarHBondContact OG-CG 3.44Å; S134-M174 PolarHBondContact OG-SD 2.78Å; V170-M174 HydrophobicContact CB-CG 4.2Å; V170-M174 HydrophobicContact CB-SD 3.8Å; V170-M174 HydrophobicContact CG1-CG 3.81Å; V170-M174 HydrophobicContact CG1-SD 3.85Å; V170-M174 HydrophobicContact CG2-SD 4.05Å; M174-V176 PolarHBondContact O-N 3Å; M174-V177 HydrophobicContact CE-CB 4.11Å; M174-V177 HydrophobicContact CE-CG1 3.93Å; M174-V177 WeakPolarHBondContact O-CB 3.41Å; M174-V177 PolarHBondContact O-N 3.45Å; M174-V177 HydrophobicContact SD-CB 4.08Å; M174-V177 HydrophobicContact SD-CG1 4.26Å; M174-V177 HydrophobicContact SD-CG2 3.98Å; M174-H178 PolarHBondContact O-CD2 3.03Å; M174-H178 PolarHBondContact O-N 3.04Å
175	A	98.7	Very high	98.6	Very high	73 Å²	73	39.5 Å²	39.5	60%	0.603	22%	0.219	S	C	*	.	H	α-helix	trans	-61.5	-34	171.2	0	0	0	0	0	112.4	G173 T179	G173-A175 PolarHBondContact O-N 2.93Å; A175-T179 PolarHBondContact O-N 3.24Å; A175-T179 PolarHBondContact O-OG1 2.98Å
176	V	98.9	Very high	98.6	Very high	10 Å²	10	42 Å²	42	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-71.1	-42.2	175.1	-174.3	0	0	0	0	110.5	I48 V55 I58 G173 M174 H178 T179 I180	I48-V176 HydrophobicContact CB-CG1 3.73Å; I48-V176 HydrophobicContact CG1-CG1 3.74Å; I48-V176 HydrophobicContact CG2-CG1 4.08Å; V55-V176 HydrophobicContact CG2-CG1 3.81Å; I58-V176 HydrophobicContact CD1-CB 4.44Å; I58-V176 HydrophobicContact CD1-CG1 4.18Å; I58-V176 HydrophobicContact CG1-CB 3.87Å; I58-V176 HydrophobicContact CG1-CG1 3.94Å; G173-V176 WeakPolarHBondContact O-CA 3.38Å; G173-V176 VanDerWaalsContact O-CB 3.29Å; G173-V176 WeakPolarHBondContact O-CB 3.46Å; G173-V176 PolarHBondContact O-N 3.3Å; M174-V176 PolarHBondContact O-N 3Å; V176-H178 VanDerWaalsContact C-N 3.33Å; V176-H178 PolarHBondContact O-N 3.32Å; V176-T179 WeakPolarHBondContact O-CB 3.31Å; V176-T179 PolarHBondContact O-N 3.1Å; V176-T179 VanDerWaalsContact O-N 3.13Å; V176-I180 PolarHBondContact O-N 3.38Å
177	V	98.8	Very high	98.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.1	-48.1	172.5	174.7	0	0	0	0	110.5	I58 I100 I152 V170 G173 M174 T179 I180 E181	I58-V177 HydrophobicContact CD1-CG2 3.69Å; I58-V177 HydrophobicContact CG1-CG2 4.08Å; I58-V177 HydrophobicContact CG2-CG2 4.34Å; I100-V177 HydrophobicContact CD1-CB 4.26Å; I100-V177 HydrophobicContact CD1-CG1 3.77Å; I100-V177 HydrophobicContact CD1-CG2 4.3Å; I100-V177 HydrophobicContact CG1-CG1 4.16Å; I152-V177 HydrophobicContact CD1-CG2 4.27Å; I152-V177 HydrophobicContact CG2-CG1 3.99Å; I152-V177 HydrophobicContact CG2-CG2 4.14Å; V170-V177 HydrophobicContact CG2-CG2 4.4Å; G173-V177 PolarHBondContact O-N 2.84Å; M174-V177 HydrophobicContact CE-CB 4.11Å; M174-V177 HydrophobicContact CE-CG1 3.93Å; M174-V177 WeakPolarHBondContact O-CB 3.41Å; M174-V177 PolarHBondContact O-N 3.45Å; M174-V177 HydrophobicContact SD-CB 4.08Å; M174-V177 HydrophobicContact SD-CG1 4.26Å; M174-V177 HydrophobicContact SD-CG2 3.98Å; V177-T179 VanDerWaalsContact C-N 3.31Å; V177-T179 PolarHBondContact O-N 3.23Å; V177-I180 PolarHBondContact O-N 3.47Å; V177-E181 WeakPolarHBondContact O-CB 3.35Å; V177-E181 PolarHBondContact O-N 2.83Å
178	H	98.7	Very high	98.4	Very high	73 Å²	73	60 Å²	60	34%	0.338	31%	0.313	S	S	.	.	H	α-helix	trans	-65.7	-32.9	176.8	-69.9	-47.1	0	0	0	112.9	M174 V176 I180 E181 L182	M174-H178 PolarHBondContact O-CD2 3.03Å; M174-H178 PolarHBondContact O-N 3.04Å; V176-H178 VanDerWaalsContact C-N 3.33Å; V176-H178 PolarHBondContact O-N 3.32Å; H178-I180 VanDerWaalsContact C-N 3.32Å; H178-I180 PolarHBondContact O-N 3.28Å; H178-E181 IonicContact CE1-OE2 3.96Å; H178-E181 IonicContact CG-OE2 3.53Å; H178-E181 IonicContact ND1-OE2 2.83Å; H178-E181 PolarHBondContact ND1-OE2 3.01Å; H178-E181 PolarHBondContact O-N 3.03Å; H178-L182 WeakPolarHBondContact O-CB 3.49Å; H178-L182 VanDerWaalsContact O-CG 3.22Å; H178-L182 WeakPolarHBondContact O-CG 3.14Å; H178-L182 PolarHBondContact O-N 2.89Å
179	T	98.8	Very high	98.4	Very high	51 Å²	51	62.5 Å²	62.5	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-41.5	173.6	-58.2	0	0	0	0	111.1	V50 V55 A175 V176 V177 Q183	V50-T179 HydrophobicContact CG2-CG2 4.36Å; V55-T179 HydrophobicContact CB-CG2 4.31Å; V55-T179 HydrophobicContact CG1-CG2 4.09Å; A175-T179 PolarHBondContact O-N 3.24Å; A175-T179 PolarHBondContact O-OG1 2.98Å; V176-T179 WeakPolarHBondContact O-CB 3.31Å; V176-T179 PolarHBondContact O-N 3.1Å; V176-T179 VanDerWaalsContact O-N 3.13Å; V177-T179 VanDerWaalsContact C-N 3.31Å; V177-T179 PolarHBondContact O-N 3.23Å; T179-Q183 PolarHBondContact O-NE2 3.31Å
180	I	98.8	Very high	98.4	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.6	-45.7	173.6	-63	161.6	0	0	0	110.6	I48 V50 I58 F91 V94 I100 V176 V177 H178 L182 Q183 C195	I48-I180 HydrophobicContact CG1-CD1 4.37Å; I48-I180 HydrophobicContact CG2-CD1 3.78Å; I48-I180 HydrophobicContact CG2-CG1 4.11Å; V50-I180 HydrophobicContact CG2-CG1 4.38Å; I58-I180 HydrophobicContact CD1-CD1 4.34Å; F91-I180 HydrophobicContact CB-CG2 4.16Å; F91-I180 HydrophobicContact CD2-CD1 3.78Å; F91-I180 HydrophobicContact CD2-CG2 4.4Å; F91-I180 HydrophobicContact CE2-CD1 3.62Å; F91-I180 HydrophobicContact CG-CD1 4.46Å; F91-I180 HydrophobicContact CG-CG2 4.23Å; F91-I180 HydrophobicContact CZ-CD1 4.18Å; V94-I180 HydrophobicContact CG2-CG2 3.83Å; I100-I180 HydrophobicContact CB-CG2 4.19Å; I100-I180 HydrophobicContact CD1-CB 4.18Å; I100-I180 HydrophobicContact CD1-CD1 3.83Å; I100-I180 HydrophobicContact CD1-CG2 4.16Å; I100-I180 HydrophobicContact CG2-CB 4.27Å; I100-I180 HydrophobicContact CG2-CG2 3.78Å; V176-I180 PolarHBondContact O-N 3.38Å; V177-I180 PolarHBondContact O-N 3.47Å; H178-I180 VanDerWaalsContact C-N 3.32Å; H178-I180 PolarHBondContact O-N 3.28Å; I180-L182 PolarHBondContact O-N 3.11Å; I180-Q183 WeakPolarHBondContact O-CB 3.04Å; I180-Q183 WeakPolarHBondContact O-CG 3.29Å; I180-Q183 PolarHBondContact O-N 3.19Å; I180-C195 HydrophobicContact CG1-CB 4.13Å; I180-C195 HydrophobicContact CG2-CB 3.89Å
181	E	98.6	Very high	98.4	Very high	9 Å²	9	63.2 Å²	63.2	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-58.7	-34.6	-178.2	-178.3	-177.5	-164.3	0	0	113.5	K96 D97 I100 S154 V177 H178 Q183	K96-E181 HydrophobicContact CB-CG 4.5Å; K96-E181 HydrophobicContact CG-CG 4.5Å; D97-E181 WeakPolarHBondContact CA-OE1 3.48Å; D97-E181 PolarHBondContact N-OE1 3.41Å; I100-E181 HydrophobicContact CG2-CB 4.09Å; S154-E181 WeakPolarHBondContact CB-OE1 3.06Å; S154-E181 WeakPolarHBondContact CB-OE2 3.47Å; S154-E181 PolarHBondContact OG-OE1 2.81Å; S154-E181 PolarHBondContact OG-OE2 2.84Å; V177-E181 WeakPolarHBondContact O-CB 3.35Å; V177-E181 PolarHBondContact O-N 2.83Å; H178-E181 IonicContact CE1-OE2 3.96Å; H178-E181 IonicContact CG-OE2 3.53Å; H178-E181 IonicContact ND1-OE2 2.83Å; H178-E181 PolarHBondContact ND1-OE2 3.01Å; H178-E181 PolarHBondContact O-N 3.03Å; E181-Q183 VanDerWaalsContact C-N 3.29Å; E181-Q183 PolarHBondContact O-N 2.92Å
182	L	98.4	Very high	98.4	Very high	110 Å²	110	66.4 Å²	66.4	58%	0.576	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	3.5	-177.5	-68.6	172.8	0	0	0	113.8	K96 H178 I180	K96-L182 HydrophobicContact CD-CD2 4.36Å; H178-L182 WeakPolarHBondContact O-CB 3.49Å; H178-L182 VanDerWaalsContact O-CG 3.22Å; H178-L182 WeakPolarHBondContact O-CG 3.14Å; H178-L182 PolarHBondContact O-N 2.89Å; I180-L182 PolarHBondContact O-N 3.11Å
183	Q	98.6	Very high	98.4	Very high	45 Å²	45	63.9 Å²	63.9	21%	0.21	33%	0.334	C	S	.	.	S	Bend	trans	-68.4	142.1	174	-63	-50.6	-65.9	0	0	111.3	V50 T179 I180 E181 T185 P191	V50-Q183 HydrophobicContact CG1-CG 4.18Å; T179-Q183 PolarHBondContact O-NE2 3.31Å; I180-Q183 WeakPolarHBondContact O-CB 3.04Å; I180-Q183 WeakPolarHBondContact O-CG 3.29Å; I180-Q183 PolarHBondContact O-N 3.19Å; E181-Q183 VanDerWaalsContact C-N 3.29Å; E181-Q183 PolarHBondContact O-N 2.92Å; Q183-T185 PolarHBondContact O-N 3.49Å; Q183-P191 HydrophobicContact CB-CB 4.23Å
184	D	98.4	Very high	98.4	Very high	131 Å²	131	69.1 Å²	69.1	70%	0.701	36%	0.357	S	S	*	.			trans	-65	135.2	171.4	-69.2	-34.2	0	0	0	110.2	P191 H192	D184-P191 WeakPolarHBondContact O-CA 3.38Å; D184-H192 PolarHBondContact O-CD2 3.26Å; D184-H192 PolarHBondContact O-N 3.18Å
185	T	98.7	Very high	98.4	Very high	49 Å²	49	67.5 Å²	67.5	30%	0.301	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-121.9	152.4	-178.4	64.8	0	0	0	0	112.1	V94 Q183 L190 P191	V94-T185 HydrophobicContact CB-CG2 4.07Å; V94-T185 HydrophobicContact CG1-CG2 4.34Å; Q183-T185 PolarHBondContact O-N 3.49Å; T185-L190 CarbonylContact C-O 3.37Å; T185-L190 VanDerWaalsContact CA-O 3.25Å; T185-L190 WeakPolarHBondContact CA-O 3.26Å; T185-P191 HydrophobicContact CG2-CG 4.29Å
186	N	98.1	Very high	98.4	Very high	52 Å²	52	65.1 Å²	65.1	28%	0.278	33%	0.327	S	S	.	.			trans	-75.3	-178.4	168.8	71.5	17.4	0	0	0	112.4	R188 N189 L190	N186-R188 PolarHBondContact O-N 3.45Å; N186-R188 WeakPolarHBondContact OD1-CA 3.49Å; N186-R188 WeakPolarHBondContact OD1-CB 3.38Å; N186-R188 PolarHBondContact OD1-N 3.42Å; N186-N189 WeakPolarHBondContact O-CA 3.36Å; N186-N189 PolarHBondContact O-N 3.23Å; N186-N189 PolarHBondContact OD1-N 3.3Å; N186-L190 PolarHBondContact N-O 3.13Å; N186-L190 WeakPolarHBondContact OD1-CB 3.45Å; N186-L190 PolarHBondContact OD1-N 2.79Å; N186-L190 VanDerWaalsContact OD1-N 3.09Å
187	D	97.5	Very high	98.5	Very high	169 Å²	169	64.7 Å²	64.7	90%	0.904	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-16	-179.7	-59.4	-22.4	0	0	0	114.9	N189	D187-N189 VanDerWaalsContact C-N 3.34Å
188	R	96.6	Very high	98.5	Very high	213 Å²	213	67.1 Å²	67.1	80%	0.804	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	5.9	175	-60.3	-175.4	-178.4	-178.4	0.6	112.6	N186 L190	N186-R188 PolarHBondContact O-N 3.45Å; N186-R188 WeakPolarHBondContact OD1-CA 3.49Å; N186-R188 WeakPolarHBondContact OD1-CB 3.38Å; N186-R188 PolarHBondContact OD1-N 3.42Å; R188-L190 PolarHBondContact O-N 3.28Å
189	N	98.6	Very high	98.5	Very high	51 Å²	51	66.2 Å²	66.2	27%	0.273	34%	0.336	S	S	.	.	S	Bend	trans	64.3	23.5	-173	-48	-77.8	0	0	0	112.9	R93 V94 I95 N186 D187	R93-N189 CarbonylContact C-O 3.58Å; R93-N189 WeakPolarHBondContact CA-O 3.39Å; R93-N189 HydrophobicContact CG-CB 4Å; V94-N189 PolarHBondContact N-O 3.12Å; V94-N189 WeakPolarHBondContact O-CB 3.43Å; I95-N189 HydrophobicContact CD1-CB 4.5Å; I95-N189 HydrophobicContact CG1-CB 3.82Å; N186-N189 WeakPolarHBondContact O-CA 3.36Å; N186-N189 PolarHBondContact O-N 3.23Å; N186-N189 PolarHBondContact OD1-N 3.3Å; D187-N189 VanDerWaalsContact C-N 3.34Å
190	L	98.4	Very high	98.5	Very high	61 Å²	61	64.5 Å²	64.5	32%	0.319	33%	0.327	S	S	.	.			trans	-86.5	125.5	173.8	173.4	71.2	0	0	0	108.8	H92 T185 N186 R188	H92-L190 HydrophobicContact CB-CD1 4.38Å; H92-L190 VanDerWaalsContact O-CD1 3.23Å; H92-L190 WeakPolarHBondContact O-CD1 3.49Å; T185-L190 CarbonylContact C-O 3.37Å; T185-L190 VanDerWaalsContact CA-O 3.25Å; T185-L190 WeakPolarHBondContact CA-O 3.26Å; N186-L190 PolarHBondContact N-O 3.13Å; N186-L190 WeakPolarHBondContact OD1-CB 3.45Å; N186-L190 PolarHBondContact OD1-N 2.79Å; N186-L190 VanDerWaalsContact OD1-N 3.09Å; R188-L190 PolarHBondContact O-N 3.28Å
191	P	98.6	Very high	98.5	Very high	12 Å²	12	64.9 Å²	64.9	8%	0.078	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-56.5	136.1	174.3	-27.8	36.5	0	0	0	112.9	V94 Q183 D184 T185 T193	V94-P191 HydrophobicContact CB-CG 3.86Å; V94-P191 HydrophobicContact CG2-CG 3.45Å; V94-P191 VanDerWaalsContact CG2-CG 3.45Å; Q183-P191 HydrophobicContact CB-CB 4.23Å; D184-P191 WeakPolarHBondContact O-CA 3.38Å; T185-P191 HydrophobicContact CG2-CG 4.29Å; P191-T193 VanDerWaalsContact C-N 3.29Å; P191-T193 VanDerWaalsContact CB-O 3.29Å; P191-T193 WeakPolarHBondContact CB-O 3.31Å
192	H	98.4	Very high	98.5	Very high	131 Å²	131	70.5 Å²	70.5	61%	0.606	35%	0.351	S	S	*	.	S	Bend	trans	-68.1	-34.1	170.9	-69.6	-62.9	0	0	0	111.9	D184	D184-H192 PolarHBondContact O-CD2 3.26Å; D184-H192 PolarHBondContact O-N 3.18Å
193	T	98.5	Very high	98.4	Very high	57 Å²	57	67.6 Å²	67.6	35%	0.35	34%	0.335	S	S	.	.	S	Bend	trans	-99.5	121.1	175.4	-58.5	0	0	0	0	109.1	V50 G51 P191 C195	V50-T193 HydrophobicContact CG1-CG2 3.68Å; G51-T193 VanDerWaalsContact CA-CG2 3.4Å; G51-T193 VanDerWaalsContact N-CG2 3.31Å; P191-T193 VanDerWaalsContact C-N 3.29Å; P191-T193 VanDerWaalsContact CB-O 3.29Å; P191-T193 WeakPolarHBondContact CB-O 3.31Å; T193-C195 PolarHBondContact O-N 3.08Å; T193-C195 PolarHBondContact O-SG 3.23Å
194	E	98.4	Very high	97.9	Very high	119 Å²	119	70.7 Å²	70.7	56%	0.556	36%	0.359	S	S	*	.			trans	-61.8	130.3	-176.9	-65	-164.4	132.9	0	0	111.7	V50 G51 V196	V50-E194 CarbonylContact C-O 3.44Å; V50-E194 WeakPolarHBondContact CA-O 3.49Å; G51-E194 PolarHBondContact N-O 3.45Å; E194-V196 HydrophobicContact CB-CG2 4.09Å
195	C	98.8	Very high	97.8	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.007	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.7	174.8	-63	0	0	0	0	108.2	T49 K90 F91 I180 T193	T49-C195 CarbonylContact O-C 3.52Å; T49-C195 WeakPolarHBondContact O-CA 3.31Å; K90-C195 CarbonylContact C-O 3.56Å; K90-C195 VanDerWaalsContact CA-O 3.23Å; K90-C195 WeakPolarHBondContact CA-O 3.33Å; K90-C195 WeakPolarHBondContact CB-O 3.47Å; F91-C195 HydrophobicContact CB-CB 4.16Å; F91-C195 HydrophobicContact CD2-CB 4.18Å; F91-C195 PolarHBondContact N-O 3.1Å; I180-C195 HydrophobicContact CG1-CB 4.13Å; I180-C195 HydrophobicContact CG2-CB 3.89Å; T193-C195 PolarHBondContact O-N 3.08Å; T193-C195 PolarHBondContact O-SG 3.23Å
196	V	98.9	Very high	97.4	Very high	24 Å²	24	72.7 Å²	72.7	15%	0.145	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.6	-165.5	-177.2	0	0	0	0	111.1	I48 T49 T89 K90 E194 V198	I48-V196 WeakPolarHBondContact CA-O 3.47Å; T49-V196 PolarHBondContact N-O 2.97Å; T49-V196 PolarHBondContact O-N 3.07Å; T89-V196 WeakPolarHBondContact O-CA 3.18Å; K90-V196 HydrophobicContact CB-CG2 4.44Å; E194-V196 HydrophobicContact CB-CG2 4.09Å; V196-V198 HydrophobicContact CB-CG1 4.31Å; V196-V198 HydrophobicContact CG1-CG1 4.05Å; V196-V198 PolarHBondContact O-N 3.13Å
197	I	98.9	Very high	97.3	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	88.2	167.3	-57.1	174.9	0	0	0	107.4	F46 D47 I48 G88 T89 F91 F150 N199	F46-I197 HydrophobicContact CB-CG1 4.46Å; F46-I197 HydrophobicContact CB-CG2 3.96Å; F46-I197 HydrophobicContact CD1-CD1 4.2Å; F46-I197 HydrophobicContact CD1-CG2 3.69Å; F46-I197 HydrophobicContact CD2-CD1 4.12Å; F46-I197 HydrophobicContact CE1-CD1 4.33Å; F46-I197 HydrophobicContact CE1-CG2 4.45Å; F46-I197 HydrophobicContact CE2-CD1 4.23Å; F46-I197 HydrophobicContact CG-CD1 4.11Å; F46-I197 HydrophobicContact CG-CG1 4.38Å; F46-I197 HydrophobicContact CG-CG2 4.01Å; F46-I197 HydrophobicContact CZ-CD1 4.33Å; D47-I197 CarbonylContact O-C 3.59Å; I48-I197 HydrophobicContact CD1-CB 4.33Å; I48-I197 HydrophobicContact CD1-CG1 3.8Å; G88-I197 PolarHBondContact N-O 3.08Å; T89-I197 PolarHBondContact O-N 3.2Å; F91-I197 HydrophobicContact CE2-CD1 4.17Å; F91-I197 HydrophobicContact CE2-CG1 3.73Å; F91-I197 HydrophobicContact CZ-CD1 4.09Å; F91-I197 HydrophobicContact CZ-CG1 4.12Å; F150-I197 HydrophobicContact CZ-CD1 4.12Å; I197-N199 VanDerWaalsContact C-N 3.27Å; I197-N199 WeakPolarHBondContact CG2-O 3.27Å; I197-N199 PolarHBondContact O-N 3.39Å
198	V	98.8	Very high	97.2	Very high	51 Å²	51	72.1 Å²	72.1	31%	0.309	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-22.9	-176	-69.1	0	0	0	0	113.1	D47 T49 K87 V196	D47-V198 HydrophobicContact CB-CG2 4.06Å; D47-V198 VanDerWaalsContact O-CG2 3.29Å; D47-V198 WeakPolarHBondContact O-CG2 3.39Å; D47-V198 PolarHBondContact O-N 2.87Å; T49-V198 HydrophobicContact CG2-CB 4.3Å; T49-V198 HydrophobicContact CG2-CG1 3.48Å; T49-V198 VanDerWaalsContact CG2-CG1 3.48Å; T49-V198 HydrophobicContact CG2-CG2 3.88Å; T49-V198 VanDerWaalsContact OG1-CG1 3.26Å; T49-V198 WeakPolarHBondContact OG1-CG1 3.43Å; K87-V198 WeakPolarHBondContact CE-O 3.14Å; V196-V198 HydrophobicContact CB-CG1 4.31Å; V196-V198 HydrophobicContact CG1-CG1 4.05Å; V196-V198 PolarHBondContact O-N 3.13Å
199	N	98.9	Very high	97.1	Very high	55 Å²	55	65.5 Å²	65.5	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	149.2	172.7	-164.6	36.5	0	0	0	110.3	F46 D47 I197	F46-N199 WeakPolarHBondContact CA-O 3.33Å; D47-N199 HydrophobicContact CB-CB 3.94Å; D47-N199 PolarHBondContact N-O 3.33Å; D47-N199 PolarHBondContact O-N 2.71Å; D47-N199 WeakPolarHBondContact OD2-CB 3.26Å; D47-N199 PolarHBondContact OD2-ND2 2.69Å; I197-N199 VanDerWaalsContact C-N 3.27Å; I197-N199 WeakPolarHBondContact CG2-O 3.27Å; I197-N199 PolarHBondContact O-N 3.39Å
200	S	98.9	Very high	96.9	Very high	15 Å²	15	65.6 Å²	65.6	11%	0.105	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	158.8	179.3	61.3	0	0	0	0	110.6	F45 A78 K87	F45-S200 VanDerWaalsContact O-CA 3.26Å; F45-S200 WeakPolarHBondContact O-CA 3.26Å; A78-S200 CarbonylContact O-C 3.41Å; A78-S200 WeakPolarHBondContact O-CB 3.45Å; A78-S200 PolarHBondContact O-OG 3.47Å; K87-S200 PolarHBondContact N-OG 3.25Å
201	G	98.8	Very high	96.5	Very high	7 Å²	7	63.3 Å²	63.3	7%	0.072	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.6	-174.8	174	0	0	0	0	0	113.5	V44 F45 A78	V44-G201 CarbonylContact C-O 3.47Å; V44-G201 VanDerWaalsContact CA-O 3.25Å; V44-G201 WeakPolarHBondContact CA-O 3.27Å; F45-G201 VanDerWaalsContact CD1-O 3.31Å; F45-G201 WeakPolarHBondContact CD1-O 3.37Å; F45-G201 VanDerWaalsContact CE1-CA 3.45Å; F45-G201 PolarHBondContact N-O 3.4Å; F45-G201 PolarHBondContact O-N 2.7Å; A78-G201 WeakPolarHBondContact O-CA 3.34Å; A78-G201 PolarHBondContact O-N 3.34Å
202	R	98.5	Very high	95.9	Very high	127 Å²	127	67.5 Å²	67.5	48%	0.479	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	140.1	178.8	-175.6	-176.8	176.9	-163.6	1.2	110.6	E42 K43 V75 T79	E42-R202 IonicContact OE1-CZ 3.62Å; E42-R202 IonicContact OE1-NE 3.93Å; E42-R202 IonicContact OE1-NH2 2.71Å; E42-R202 PolarHBondContact OE1-NH2 2.9Å; E42-R202 IonicContact OE2-CZ 3.16Å; E42-R202 IonicContact OE2-NE 2.69Å; E42-R202 PolarHBondContact OE2-NE 2.78Å; E42-R202 IonicContact OE2-NH2 2.87Å; E42-R202 PolarHBondContact OE2-NH2 2.77Å; K43-R202 CarbonylContact O-C 3.58Å; K43-R202 WeakPolarHBondContact O-CA 3.49Å; V75-R202 HydrophobicContact CG1-CB 4.37Å; V75-R202 HydrophobicContact CG1-CG 4.22Å; T79-R202 HydrophobicContact CG2-CB 3.74Å
203	I	97.5	Very high	95	Very high	49 Å²	49	62 Å²	62	25%	0.251	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.7	166.3	-59.5	176.2	0	0	0	107.9	K43 F45 V59 V205	K43-I203 HydrophobicContact CB-CB 3.82Å; K43-I203 HydrophobicContact CB-CG2 4.46Å; K43-I203 HydrophobicContact CD-CG2 4.43Å; K43-I203 PolarHBondContact O-N 2.68Å; F45-I203 HydrophobicContact CB-CD1 3.89Å; F45-I203 HydrophobicContact CB-CG1 4.36Å; F45-I203 HydrophobicContact CD1-CD1 4.16Å; F45-I203 HydrophobicContact CD1-CG1 3.78Å; F45-I203 HydrophobicContact CG-CD1 4.4Å; F45-I203 HydrophobicContact CG-CG1 4.49Å; V59-I203 HydrophobicContact CG1-CD1 4.1Å; V59-I203 HydrophobicContact CG2-CD1 4.2Å; I203-V205 PolarHBondContact O-N 3.29Å
204	P	88.7	Confident	93.6	Very high	110 Å²	110	67.2 Å²	67.2	71%	0.714	34%	0.344	S	S	*	.			trans	-58.9	137	176.3	-24.1	33.9	0	0	0	112.6
205	V	94.7	Very high	91.8	Very high	28 Å²	28	65.7 Å²	65.7	17%	0.17	36%	0.36	C	S	.	.			trans	-106.5	112.4	170.1	179.4	0	0	0	0	107.6	V40 T41 K43 I203 E207 F209	V40-V205 HydrophobicContact CG1-CG2 4.43Å; T41-V205 WeakPolarHBondContact O-CB 3.5Å; K43-V205 HydrophobicContact CB-CG2 4.11Å; K43-V205 HydrophobicContact CD-CG2 3.95Å; K43-V205 HydrophobicContact CG-CG2 3.64Å; I203-V205 PolarHBondContact O-N 3.29Å; V205-E207 VanDerWaalsContact CG1-O 3.27Å; V205-E207 WeakPolarHBondContact CG1-O 3.43Å; V205-F209 HydrophobicContact CG1-CD1 4.32Å; V205-F209 HydrophobicContact CG1-CE1 4.23Å
206	K	91.8	Very high	90.1	Very high	194 Å²	194	71.4 Å²	71.4	84%	0.843	38%	0.382	S	S	*	.	S	Bend	trans	-63.9	-45.5	-177.9	-172.9	-176.6	174.4	-172.4	0	111.7
207	E	94.5	Very high	89.7	Confident	139 Å²	139	73.8 Å²	73.8	65%	0.65	39%	0.394	S	S	*	.	S	Bend	trans	-139.6	132.1	179	-72.7	171.6	-154.2	0	0	109	V205	V205-E207 VanDerWaalsContact CG1-O 3.27Å; V205-E207 WeakPolarHBondContact CG1-O 3.43Å
208	P	96	Very high	89.2	Confident	70 Å²	70	77.6 Å²	77.6	46%	0.455	41%	0.414	S	S	.	.			trans	-59.9	138.9	176.2	-24.3	34.1	0	0	0	112.1	K39 V40 T41	K39-P208 HydrophobicContact CB-CB 4.33Å; K39-P208 HydrophobicContact CD-CB 4.19Å; V40-P208 VanDerWaalsContact O-CA 3.24Å; V40-P208 WeakPolarHBondContact O-CA 3.37Å; T41-P208 HydrophobicContact CG2-CB 4.35Å; T41-P208 HydrophobicContact CG2-CG 4.47Å
209	F	95.6	Very high	88.7	Confident	75 Å²	75	79.1 Å²	79.1	33%	0.329	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.4	-179	62.6	-86.3	0	0	0	111.5	K39 V40 K43 L171 V205 V211	K39-F209 CarbonylContact C-O 3.51Å; K39-F209 VanDerWaalsContact CA-O 3.31Å; K39-F209 WeakPolarHBondContact CA-O 3.35Å; V40-F209 HydrophobicContact CB-CD1 4.32Å; V40-F209 HydrophobicContact CB-CD2 4.41Å; V40-F209 HydrophobicContact CB-CE1 3.83Å; V40-F209 HydrophobicContact CB-CE2 3.94Å; V40-F209 HydrophobicContact CB-CZ 3.62Å; V40-F209 HydrophobicContact CG1-CE1 3.75Å; V40-F209 HydrophobicContact CG1-CE2 4.43Å; V40-F209 HydrophobicContact CG1-CZ 3.65Å; V40-F209 HydrophobicContact CG2-CE2 3.97Å; V40-F209 HydrophobicContact CG2-CZ 3.99Å; V40-F209 PolarHBondContact N-O 2.84Å; V40-F209 PolarHBondContact O-N 2.83Å; K43-F209 VanDerWaalsContact CE-CE1 3.5Å; L171-F209 HydrophobicContact CD1-CE2 4.37Å; L171-F209 HydrophobicContact CD1-CZ 3.82Å; V205-F209 HydrophobicContact CG1-CD1 4.32Å; V205-F209 HydrophobicContact CG1-CE1 4.23Å; F209-V211 HydrophobicContact CE2-CG2 4.39Å
210	V	94.2	Very high	88.1	Confident	52 Å²	52	80.5 Å²	80.5	32%	0.315	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.6	-179.1	176.3	0	0	0	0	110.1	K39	K39-V210 HydrophobicContact CG-CG2 3.95Å
211	V	90.3	Very high	87.4	Confident	13 Å²	13	84.6 Å²	84.6	8%	0.079	45%	0.448	C	S	.	.			trans	-86.7	115.9	160.1	166.1	0	0	0	0	107	G37 P38 V40 F63 K169 L171 F209 V213	G37-V211 WeakPolarHBondContact CA-O 3.26Å; P38-V211 PolarHBondContact O-N 3.46Å; V40-V211 HydrophobicContact CG2-CG2 3.45Å; V40-V211 VanDerWaalsContact CG2-CG2 3.45Å; F63-V211 HydrophobicContact CE1-CB 4.39Å; F63-V211 HydrophobicContact CE1-CG2 4.36Å; K169-V211 HydrophobicContact CD-CG1 3.56Å; L171-V211 HydrophobicContact CD2-CG2 3.76Å; F209-V211 HydrophobicContact CE2-CG2 4.39Å; V211-V213 PolarHBondContact O-N 3.25Å
212	E	85.1	Confident	86.6	Confident	100 Å²	100	89.8 Å²	89.8	47%	0.467	47%	0.473	S	S	.	.			trans	-63.6	133.4	179	-74.1	174.6	-140.7	0	0	110.9	R35	R35-E212 HydrophobicContact CB-CG 3.79Å; R35-E212 WeakPolarHBondContact CD-OE1 3.48Å; R35-E212 HydrophobicContact CG-CG 3.88Å; R35-E212 WeakPolarHBondContact CG-OE1 3.42Å; R35-E212 IonicContact CZ-OE1 3.18Å; R35-E212 IonicContact NE-OE1 2.87Å; R35-E212 PolarHBondContact NE-OE1 3.49Å; R35-E212 IonicContact NH1-OE1 3.4Å; R35-E212 PolarHBondContact NH1-OE1 2.88Å; R35-E212 IonicContact NH2-OE1 3.97Å
213	V	78.6	Confident	85.8	Confident	16 Å²	16	87.1 Å²	87.1	10%	0.097	47%	0.472	C	S	.	.			trans	-130.9	118.9	176.2	178.9	0	0	0	0	107.5	R36 L131 W135 V211 G215 W216	R36-V213 PolarHBondContact O-N 3.46Å; R36-V213 VanDerWaalsContact O-N 3.16Å; L131-V213 HydrophobicContact CD1-CG1 3.24Å; W135-V213 HydrophobicContact CH2-CG2 3.85Å; W135-V213 HydrophobicContact CZ2-CG1 4.3Å; W135-V213 HydrophobicContact CZ2-CG2 3.69Å; V211-V213 PolarHBondContact O-N 3.25Å; V213-G215 PolarHBondContact O-N 2.82Å; V213-W216 HydrophobicContact CB-CB 4.16Å; V213-W216 HydrophobicContact CB-CE3 4.02Å; V213-W216 HydrophobicContact CG1-CB 4.47Å; V213-W216 HydrophobicContact CG1-CE3 3.99Å; V213-W216 HydrophobicContact CG2-CE3 4.21Å; V213-W216 PolarHBondContact O-N 2.95Å
214	D	69.3	Low	84.9	Confident	166 Å²	166	90.1 Å²	90.1	89%	0.888	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	122.2	177.6	-66.8	-28	0	0	0	110.2
215	G	60.5	Low	84.5	Confident	87 Å²	87	88.4 Å²	88.4	90%	0.897	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	22	177.2	0	0	0	0	0	115.9	V213	V213-G215 PolarHBondContact O-N 2.82Å
216	W	64.2	Low	83.6	Confident	121 Å²	121	93.9 Å²	93.9	46%	0.458	50%	0.498	S	S	.	.			trans	-66.6	0	171.6	-171.3	-77.1	0	0	0	114.3	R36 L128 V213	R36-W216 HydrophobicContact CB-CB 3.72Å; R36-W216 HydrophobicContact CB-CG 4.03Å; R36-W216 WeakPolarHBondContact CD-O 3.34Å; L128-W216 HydrophobicContact CD2-CH2 3.15Å; L128-W216 HydrophobicContact CD2-CZ2 3.96Å; L128-W216 HydrophobicContact CD2-CZ3 3.83Å; L128-W216 HydrophobicContact CG-CH2 4.5Å; V213-W216 HydrophobicContact CB-CB 4.16Å; V213-W216 HydrophobicContact CB-CE3 4.02Å; V213-W216 HydrophobicContact CG1-CB 4.47Å; V213-W216 HydrophobicContact CG1-CE3 3.99Å; V213-W216 HydrophobicContact CG2-CE3 4.21Å; V213-W216 PolarHBondContact O-N 2.95Å

Retrieved 216 of 216 residues in 310.1 ms (Link to these results)

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