A0A087X629_POEFO Loading...

Galectin

Does not bind lactose, and may not bind carbohydrates.

AlphaFold DB , UniProt , Accession A0A087X629, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 aa.

Structure Viewer

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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	M	38.1	Very low	36.7	Very low	245 Å²	245	146.9 Å²	146.9	100%	1.207	85%	0.852	S	S	*	*				0	131.7	0	-90.3	177.8	170.1	0	0	108.6
2	A	37.2	Very low	36.4	Very low	89 Å²	89	148.4 Å²	148.4	74%	0.736	85%	0.854	S	S	*	*			trans	59	105.2	154.3	0	0	0	0	0	121.9
3	V	33.8	Very low	36.4	Very low	127 Å²	127	149.4 Å²	149.4	77%	0.77	85%	0.85	S	S	*	*				22.1	134	126.9	-59.3	0	0	0	0	120.9
4	Q	36.1	Very low	36.1	Very low	192 Å²	192	149.5 Å²	149.5	90%	0.897	85%	0.847	S	S	*	*				178	145.6	95.9	-107.4	170.6	2	0	0	112.7
5	A	37.4	Very low	35.9	Very low	98 Å²	98	144.7 Å²	144.7	81%	0.81	84%	0.843	S	S	*	*			trans	-97.4	156.3	172.4	0	0	0	0	0	110.9
6	A	39.8	Very low	35.6	Very low	104 Å²	104	145.3 Å²	145.3	86%	0.86	84%	0.842	S	S	*	*			trans	-169.6	128.6	143.9	0	0	0	0	0	111.7
7	E	35.9	Very low	36	Very low	181 Å²	181	146.3 Å²	146.3	85%	0.846	84%	0.837	S	S	*	*			trans	-59.1	157.3	167.3	-85.4	159.2	86.3	0	0	114.4
8	K	40.7	Very low	36	Very low	207 Å²	207	146.1 Å²	146.1	90%	0.9	84%	0.839	S	S	*	*				-159.5	125.7	128.9	-156.1	166.6	178.7	176.3	0	113.3
9	D	33.6	Very low	36.2	Very low	145 Å²	145	147.6 Å²	147.6	78%	0.775	84%	0.843	S	S	*	*			trans	-59.4	154.2	169.6	-83.1	-57.9	0	0	0	115.1
10	G	33.2	Very low	36.1	Very low	77 Å²	77	147.9 Å²	147.9	79%	0.794	84%	0.842	S	S	*	*			trans	174.1	91.9	163.7	0	0	0	0	0	113.7
11	I	37.8	Very low	36.4	Very low	151 Å²	151	147.5 Å²	147.5	77%	0.774	84%	0.837	S	S	*	*			trans	-76	136.2	169.4	-63.2	158	0	0	0	109.3
12	N	33.5	Very low	36.4	Very low	165 Å²	165	140.9 Å²	140.9	88%	0.882	82%	0.815	S	S	*	*			trans	-163.5	142	136	-105.6	-4.6	0	0	0	113.4
13	M	36.8	Very low	37	Very low	161 Å²	161	144.4 Å²	144.4	79%	0.793	82%	0.821	S	S	*	*			trans	-85.8	160.1	-172.6	-98.1	178.1	147.6	0	0	113.7
14	D	32	Very low	37.3	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	83%	0.827	S	S	*	*			trans	80.6	120.1	148.1	-63	-30.4	0	0	0	122.2
15	G	32.4	Very low	37.6	Very low	77 Å²	77	145 Å²	145	79%	0.794	82%	0.82	S	S	*	*			trans	114.6	99	135.1	0	0	0	0	0	115.6
16	D	31.7	Very low	37.7	Very low	154 Å²	154	146.4 Å²	146.4	82%	0.824	82%	0.821	S	S	*	*				-164.8	147.7	115.7	-156.8	13.4	0	0	0	112.6
17	H	42.8	Very low	37.6	Very low	163 Å²	163	145 Å²	145	76%	0.755	81%	0.809	S	S	*	*			trans	-70.1	143.6	-176.1	-66.2	-91.3	0	0	0	113.1
18	T	35.3	Very low	38	Very low	143 Å²	143	144.6 Å²	144.6	88%	0.877	81%	0.812	S	S	*	*			trans	-135.2	124.8	145.3	45	0	0	0	0	110.5
19	L	39.1	Very low	38.3	Very low	175 Å²	175	142.3 Å²	142.3	92%	0.916	81%	0.808	S	S	*	*			trans	-67.3	135.2	178.4	-63	154.8	0	0	0	110
20	N	34.3	Very low	39.3	Very low	153 Å²	153	140 Å²	140	82%	0.818	80%	0.803	S	S	*	*			trans	-125.2	108.3	152.8	64	-11.8	0	0	0	110.6
21	D	42.5	Very low	40.1	Very low	139 Å²	139	139.8 Å²	139.8	74%	0.743	79%	0.787	S	S	*	*			trans	-68	128.5	167.8	-166.2	6.9	0	0	0	108.9
22	S	38.9	Very low	41.2	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	77%	0.773	S	S	*	*			trans	-155.6	99	165.8	-71.4	0	0	0	0	109.1	E24	S22-E24 PolarHBondContact O-N 2.97Å
23	L	49.6	Very low	42.3	Very low	163 Å²	163	137.9 Å²	137.9	85%	0.853	77%	0.77	S	S	*	*			trans	-50.7	106.5	173.2	-70.8	145.1	0	0	0	112.7
24	E	40.1	Very low	43.1	Very low	193 Å²	193	136.6 Å²	136.6	90%	0.902	76%	0.762	S	S	*	*			trans	-96.2	97.1	156.7	-80.7	-170.8	151.8	0	0	109.7	S22	S22-E24 PolarHBondContact O-N 2.97Å
25	N	42.9	Very low	44.3	Very low	138 Å²	138	133.2 Å²	133.2	74%	0.738	74%	0.744	S	S	*	*			trans	13.2	112.5	146	-141.8	9.7	0	0	0	117.1	A27	N25-A27 PolarHBondContact O-N 3.38Å
26	P	38.5	Very low	45.4	Very low	128 Å²	128	134 Å²	134	83%	0.831	73%	0.729	S	S	*	*			trans	-77.6	72.8	169.8	32.4	-31.5	0	0	0	109.5	L28	P26-L28 PolarHBondContact O-N 3.48Å; P26-L28 VanDerWaalsContact O-N 3.17Å
27	A	38.5	Very low	46.5	Very low	74 Å²	74	130.1 Å²	130.1	61%	0.612	71%	0.714	S	S	*	*			trans	-69.8	108	168.2	0	0	0	0	0	108.5	N25 I29	N25-A27 PolarHBondContact O-N 3.38Å; A27-I29 PolarHBondContact O-N 2.82Å
28	L	43.7	Very low	47.3	Very low	173 Å²	173	131.1 Å²	131.1	91%	0.906	71%	0.711	S	S	*	*			trans	4.5	88.2	156.1	-58.3	174.5	0	0	0	114.6	P26 S30	P26-L28 PolarHBondContact O-N 3.48Å; P26-L28 VanDerWaalsContact O-N 3.17Å; L28-S30 PolarHBondContact O-N 2.89Å
29	I	47.3	Very low	49.3	Very low	159 Å²	159	129.7 Å²	129.7	82%	0.815	70%	0.698	S	S	*	*			trans	-65.4	102.8	166.3	-57.2	169.6	0	0	0	105.6	A27	A27-I29 PolarHBondContact O-N 2.82Å
30	S	53.8	Low	51.6	Low	96 Å²	96	123.1 Å²	123.1	67%	0.671	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-57	129.8	165.2	177	0	0	0	0	106.6	L28 D32	L28-S30 PolarHBondContact O-N 2.89Å; S30-D32 PolarHBondContact O-N 3.01Å; S30-D32 VanDerWaalsContact O-N 3.11Å
31	P	50.5	Low	54.4	Low	72 Å²	72	119.9 Å²	119.9	47%	0.468	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-53.7	128	173.5	22.2	-30.5	0	0	0	107.9
32	D	61.2	Low	57	Low	89 Å²	89	115.1 Å²	115.1	48%	0.476	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-55.5	140	175.6	39.9	-53.6	0	0	0	109.3	S30 E34 D35	S30-D32 PolarHBondContact O-N 3.01Å; S30-D32 VanDerWaalsContact O-N 3.11Å; D32-E34 PolarHBondContact O-N 2.77Å; D32-D35 WeakPolarHBondContact O-CB 3.24Å; D32-D35 PolarHBondContact O-N 3.48Å
33	K	55.7	Low	59.7	Low	187 Å²	187	114.8 Å²	114.8	81%	0.813	62%	0.62	S	S	*	*	H	α-helix	trans	-56.7	-22.6	-176.2	-173.8	-180	173.7	-173.1	0	112.5	S37	K33-S37 PolarHBondContact O-N 3.37Å
34	E	55.2	Low	61.8	Low	134 Å²	134	108.3 Å²	108.3	63%	0.626	59%	0.585	S	S	*	*	H	α-helix	trans	-75	-26.1	175.1	-66.9	-171	147.3	0	0	113.7	D32 S37 R38	D32-E34 PolarHBondContact O-N 2.77Å; E34-S37 WeakPolarHBondContact CA-OG 3.47Å; E34-S37 PolarHBondContact O-OG 2.92Å; E34-R38 WeakPolarHBondContact O-CG 3.43Å; E34-R38 PolarHBondContact O-N 2.91Å
35	D	55.7	Low	64.4	Low	81 Å²	81	101.4 Å²	101.4	43%	0.433	56%	0.558	S	S	.	*	H	α-helix	trans	-79.2	-34.4	179.3	-141.7	14	0	0	0	110.6	D32 L39	D32-D35 WeakPolarHBondContact O-CB 3.24Å; D32-D35 PolarHBondContact O-N 3.48Å; D35-L39 WeakPolarHBondContact O-CG 3.28Å; D35-L39 PolarHBondContact O-N 3.13Å
36	L	56.7	Low	66.8	Low	94 Å²	94	95.2 Å²	95.2	49%	0.492	53%	0.527	S	S	.	.	H	α-helix	trans	-67.7	-34.2	170.6	-76.5	169.8	0	0	0	113.1	L39	L36-L39 HydrophobicContact CD2-CD1 4.4Å; L36-L39 PolarHBondContact O-N 3.11Å
37	S	55.3	Low	69.4	Low	72 Å²	72	97.5 Å²	97.5	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-70.4	-34.9	178.5	61.3	0	0	0	0	111.8	K33 E34 L39 L40	K33-S37 PolarHBondContact O-N 3.37Å; E34-S37 WeakPolarHBondContact CA-OG 3.47Å; E34-S37 PolarHBondContact O-OG 2.92Å; S37-L39 VanDerWaalsContact C-N 3.31Å; S37-L39 PolarHBondContact O-N 3.14Å; S37-L40 PolarHBondContact O-N 3.3Å
38	R	59.3	Low	72.1	Confident	183 Å²	183	94.4 Å²	94.4	69%	0.691	49%	0.492	S	S	*	.	H	α-helix	trans	-63.6	-36.6	172.7	-70.4	178.8	-172	-164.1	4.5	112.4	E34 L40 T41	E34-R38 WeakPolarHBondContact O-CG 3.43Å; E34-R38 PolarHBondContact O-N 2.91Å; R38-L40 PolarHBondContact O-N 2.78Å; R38-T41 PolarHBondContact O-N 2.86Å; R38-T41 PolarHBondContact O-OG1 2.79Å
39	L	76	Confident	74.5	Confident	114 Å²	114	96.6 Å²	96.6	60%	0.597	49%	0.489	S	S	*	.	H	α-helix	trans	-67	-20.5	178.6	-71.1	172.1	0	0	0	113.7	D35 L36 S37 F44	D35-L39 WeakPolarHBondContact O-CG 3.28Å; D35-L39 PolarHBondContact O-N 3.13Å; L36-L39 HydrophobicContact CD2-CD1 4.4Å; L36-L39 PolarHBondContact O-N 3.11Å; S37-L39 VanDerWaalsContact C-N 3.31Å; S37-L39 PolarHBondContact O-N 3.14Å; L39-F44 WeakPolarHBondContact O-CD2 3.17Å; L39-F44 WeakPolarHBondContact O-CE2 3.31Å
40	L	88.4	Confident	76.7	Confident	37 Å²	37	92.3 Å²	92.3	19%	0.194	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	17.8	-176.9	-62.9	-179.9	0	0	0	113	S37 R38 F44 I175 L178	S37-L40 PolarHBondContact O-N 3.3Å; R38-L40 PolarHBondContact O-N 2.78Å; L40-F44 HydrophobicContact CD2-CD2 4.46Å; L40-F44 HydrophobicContact CD2-CE2 4Å; L40-F44 HydrophobicContact CD2-CZ 4.42Å; L40-I175 HydrophobicContact CB-CB 4.1Å; L40-I175 HydrophobicContact CB-CG2 4.19Å; L40-I175 HydrophobicContact CD1-CG2 4.35Å; L40-I175 HydrophobicContact CD2-CG2 4.15Å; L40-I175 HydrophobicContact CG-CG2 4.46Å; L40-I175 WeakPolarHBondContact O-CB 3.32Å; L40-L178 HydrophobicContact CD2-CB 4.17Å
41	T	92.8	Very high	78.7	Confident	85 Å²	85	87.8 Å²	87.8	52%	0.521	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-69.5	139	178.5	-45.8	0	0	0	0	111.2	R38 P43 F44	R38-T41 PolarHBondContact O-N 2.86Å; R38-T41 PolarHBondContact O-OG1 2.79Å; T41-P43 CarbonylContact O-C 3.54Å; T41-F44 WeakPolarHBondContact O-CA 3.34Å; T41-F44 WeakPolarHBondContact O-CB 3.04Å; T41-F44 PolarHBondContact O-N 3.31Å
42	V	96.1	Very high	81	Confident	38 Å²	38	84.4 Å²	84.4	23%	0.23	43%	0.43	C	S	.	.	S	Bend	trans	-89.5	131.3	173.7	-179.4	0	0	0	0	109.3	I169 G171 L173 I175	V42-I169 HydrophobicContact CG2-CG2 4.4Å; V42-G171 WeakPolarHBondContact CG1-O 3.47Å; V42-L173 HydrophobicContact CG2-CD1 3.82Å; V42-L173 HydrophobicContact CG2-CG 4.38Å; V42-L173 WeakPolarHBondContact CG2-O 3.21Å; V42-I175 HydrophobicContact CG2-CD1 3.76Å; V42-I175 HydrophobicContact CG2-CG1 3.78Å
43	P	96.1	Very high	82.7	Confident	100 Å²	100	86.6 Å²	86.6	65%	0.649	43%	0.432	S	S	*	.	S	Bend	cis	-72.6	132.9	3.9	31.2	-35.7	0	0	0	113.1	T41 I169 Q170	T41-P43 CarbonylContact O-C 3.54Å; P43-I169 CarbonylContact C-O 3.52Å; P43-I169 WeakPolarHBondContact CA-O 3.26Å; P43-Q170 HydrophobicContact CB-CG 3.96Å
44	F	95.1	Very high	84.8	Confident	28 Å²	28	80 Å²	80	12%	0.123	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144.9	-177.2	173.2	-96.9	0	0	0	111.5	L39 L40 T41 G46 V167 R168 I169 I175 L178	L39-F44 WeakPolarHBondContact O-CD2 3.17Å; L39-F44 WeakPolarHBondContact O-CE2 3.31Å; L40-F44 HydrophobicContact CD2-CD2 4.46Å; L40-F44 HydrophobicContact CD2-CE2 4Å; L40-F44 HydrophobicContact CD2-CZ 4.42Å; T41-F44 WeakPolarHBondContact O-CA 3.34Å; T41-F44 WeakPolarHBondContact O-CB 3.04Å; T41-F44 PolarHBondContact O-N 3.31Å; F44-G46 VanDerWaalsContact CE1-CA 3.49Å; F44-G46 VanDerWaalsContact CE1-N 3.29Å; F44-G46 VanDerWaalsContact CZ-CA 3.43Å; F44-V167 HydrophobicContact CE1-CG1 4.08Å; F44-R168 CarbonylContact O-C 3.53Å; F44-R168 VanDerWaalsContact O-CA 3.26Å; F44-R168 WeakPolarHBondContact O-CA 3.4Å; F44-I169 HydrophobicContact CB-CB 4.24Å; F44-I169 HydrophobicContact CD1-CD1 4Å; F44-I169 HydrophobicContact CD1-CG1 4.31Å; F44-I169 PolarHBondContact N-O 3.16Å; F44-I169 PolarHBondContact O-N 2.9Å; F44-I175 HydrophobicContact CB-CD1 3.43Å; F44-I175 VanDerWaalsContact CB-CD1 3.43Å; F44-I175 HydrophobicContact CD1-CD1 4.11Å; F44-I175 HydrophobicContact CD2-CD1 4.39Å; F44-I175 HydrophobicContact CG-CD1 3.72Å; F44-L178 HydrophobicContact CE1-CD1 4.39Å; F44-L178 HydrophobicContact CE1-CD2 3.4Å; F44-L178 VanDerWaalsContact CE1-CD2 3.4Å; F44-L178 HydrophobicContact CE1-CG 4.5Å; F44-L178 HydrophobicContact CZ-CD2 3.5Å; F44-L178 VanDerWaalsContact CZ-CD2 3.5Å
45	S	94.1	Very high	86.8	Confident	47 Å²	47	77.3 Å²	77.3	33%	0.329	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	101	174.2	-176.1	0	0	0	0	112.3	R79 V167	S45-R79 PolarHBondContact O-NH1 3.36Å; S45-R79 PolarHBondContact O-NH2 3.34Å; S45-R79 PolarHBondContact OG-NH2 3.42Å; S45-V167 CarbonylContact C-O 3.58Å; S45-V167 WeakPolarHBondContact CA-O 3.42Å
46	G	92.4	Very high	88.8	Confident	9 Å²	9	75.3 Å²	75.3	9%	0.093	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.4	-172.7	0	0	0	0	0	114.1	F44 R79 T166 V167	F44-G46 VanDerWaalsContact CE1-CA 3.49Å; F44-G46 VanDerWaalsContact CE1-N 3.29Å; F44-G46 VanDerWaalsContact CZ-CA 3.43Å; G46-R79 PolarHBondContact O-NH2 2.96Å; G46-T166 WeakPolarHBondContact O-CA 2.93Å; G46-V167 PolarHBondContact N-O 3.48Å; G46-V167 WeakPolarHBondContact O-CG1 3.27Å; G46-V167 PolarHBondContact O-N 2.9Å
47	R	93.5	Very high	90.8	Very high	176 Å²	176	74.7 Å²	74.7	66%	0.664	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.8	-177.4	-171.5	177.4	-174.1	-178.4	5.1	110.6	R49 R79 D165	R47-R49 PolarHBondContact O-N 2.85Å; R47-R79 VanDerWaalsContact N-NH2 3.11Å; R47-D165 CarbonylContact C-O 3.54Å
48	I	95.8	Very high	92.8	Very high	8 Å²	8	71.8 Å²	71.8	4%	0.041	38%	0.375	C	S	.	.			trans	-89.2	95.9	172.3	-52.9	171.6	0	0	0	107.6	G50 G51 M52 K56 I58 L75 D165 V167	I48-G50 PolarHBondContact O-N 2.88Å; I48-G51 WeakPolarHBondContact CG2-O 3.41Å; I48-G51 PolarHBondContact O-N 3.18Å; I48-M52 HydrophobicContact CD1-CG 4.25Å; I48-M52 HydrophobicContact CD1-SD 4.13Å; I48-M52 HydrophobicContact CG2-SD 3.98Å; I48-K56 HydrophobicContact CG2-CD 4.41Å; I48-K56 VanDerWaalsContact CG2-NZ 3.32Å; I48-I58 HydrophobicContact CD1-CD1 3.95Å; I48-I58 HydrophobicContact CD1-CG1 4.35Å; I48-I58 HydrophobicContact CG1-CD1 3.95Å; I48-I58 HydrophobicContact CG2-CD1 4.21Å; I48-L75 HydrophobicContact CD1-CD2 4.03Å; I48-D165 PolarHBondContact N-O 2.96Å; I48-V167 HydrophobicContact CD1-CB 4.33Å; I48-V167 HydrophobicContact CG1-CB 4.49Å; I48-V167 HydrophobicContact CG1-CG1 4.39Å
49	R	92.8	Very high	94.7	Very high	220 Å²	220	64.3 Å²	64.3	83%	0.83	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	122.7	-177.7	-68.9	-170.8	177.4	113.8	-1.5	112	R47 G51 K56	R47-R49 PolarHBondContact O-N 2.85Å; R49-G51 PolarHBondContact O-N 2.88Å; R49-K56 PolarHBondContact O-NZ 2.88Å
50	G	94.1	Very high	95.8	Very high	68 Å²	68	58.9 Å²	58.9	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	15.2	-177.1	0	0	0	0	0	114.6	I48	I48-G50 PolarHBondContact O-N 2.88Å
51	G	96.3	Very high	96.2	Very high	2 Å²	2	59.8 Å²	59.8	2%	0.021	32%	0.324	C	S	.	.			trans	67.4	-170.7	178.6	0	0	0	0	0	114.6	I48 R49 K56 P162 I164	I48-G51 WeakPolarHBondContact CG2-O 3.41Å; I48-G51 PolarHBondContact O-N 3.18Å; R49-G51 PolarHBondContact O-N 2.88Å; G51-K56 VanDerWaalsContact O-CD 3.31Å; G51-K56 WeakPolarHBondContact O-CD 3.33Å; G51-K56 PolarHBondContact O-NZ 2.87Å; G51-P162 WeakPolarHBondContact CA-O 3.4Å; G51-I164 CarbonylContact C-O 3.59Å; G51-I164 WeakPolarHBondContact CA-O 3.36Å
52	M	98.1	Very high	96.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.3	C	S	.	.			trans	-84.3	151.5	172.6	-65.6	-62.8	-86.5	0	0	110.9	I48 K56 I58 L75 C137 F142 L161 I164	I48-M52 HydrophobicContact CD1-CG 4.25Å; I48-M52 HydrophobicContact CD1-SD 4.13Å; I48-M52 HydrophobicContact CG2-SD 3.98Å; M52-K56 HydrophobicContact SD-CD 4.38Å; M52-K56 HydrophobicContact SD-CG 4.47Å; M52-I58 HydrophobicContact CE-CG1 3.92Å; M52-I58 HydrophobicContact SD-CD1 4.05Å; M52-I58 HydrophobicContact SD-CG1 3.91Å; M52-L75 HydrophobicContact CE-CD1 4.14Å; M52-C137 HydrophobicContact CE-CB 3.78Å; M52-F142 HydrophobicContact CE-CE1 3.92Å; M52-L161 HydrophobicContact CB-CB 4.48Å; M52-L161 PolarHBondContact N-O 3.17Å; M52-L161 CarbonylContact O-C 3.4Å; M52-L161 VanDerWaalsContact O-CB 3.32Å; M52-L161 WeakPolarHBondContact O-CB 3.35Å; M52-L161 VanDerWaalsContact O-O 3.12Å; M52-I164 HydrophobicContact CB-CB 4.13Å; M52-I164 HydrophobicContact CB-CG2 4.49Å; M52-I164 HydrophobicContact CG-CB 3.96Å; M52-I164 HydrophobicContact CG-CG2 3.82Å; M52-I164 PolarHBondContact N-O 2.81Å
53	R	98.1	Very high	96.6	Very high	136 Å²	136	56.5 Å²	56.5	51%	0.513	30%	0.302	S	S	.	.			trans	-159.4	158.6	175.4	65.2	-179.3	-173.4	-85	-2.4	109.3	G55 K56 C137	R53-G55 PolarHBondContact O-N 2.9Å; R53-K56 HydrophobicContact CG-CB 4Å; R53-K56 VanDerWaalsContact O-CB 3.27Å; R53-K56 WeakPolarHBondContact O-CB 2.9Å; R53-K56 PolarHBondContact O-N 2.85Å; R53-C137 WeakPolarHBondContact O-CB 3.44Å
54	P	98.5	Very high	96.7	Very high	49 Å²	49	51.8 Å²	51.8	32%	0.318	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	133.2	174.7	-27.2	36.9	0	0	0	111.8	K56 C137 L161	P54-K56 VanDerWaalsContact C-N 3.31Å; P54-K56 PolarHBondContact O-N 3.46Å; P54-C137 CarbonylContact C-O 3.21Å; P54-C137 WeakPolarHBondContact CA-O 3.22Å; P54-L161 HydrophobicContact CG-CD1 4.24Å
55	G	98	Very high	96.8	Very high	77 Å²	77	53 Å²	53	79%	0.794	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-11.1	-176.7	0	0	0	0	0	115.1	R53 C137	R53-G55 PolarHBondContact O-N 2.9Å; G55-C137 PolarHBondContact N-O 2.91Å
56	K	98.1	Very high	97	Very high	39 Å²	39	56.6 Å²	56.6	17%	0.17	29%	0.294	C	S	.	.			trans	-81.7	146.4	171.4	-164.7	168.3	-175.3	177.7	0	110.5	I48 R49 G51 M52 R53 P54 C137	I48-K56 HydrophobicContact CG2-CD 4.41Å; I48-K56 VanDerWaalsContact CG2-NZ 3.32Å; R49-K56 PolarHBondContact O-NZ 2.88Å; G51-K56 VanDerWaalsContact O-CD 3.31Å; G51-K56 WeakPolarHBondContact O-CD 3.33Å; G51-K56 PolarHBondContact O-NZ 2.87Å; M52-K56 HydrophobicContact SD-CD 4.38Å; M52-K56 HydrophobicContact SD-CG 4.47Å; R53-K56 HydrophobicContact CG-CB 4Å; R53-K56 VanDerWaalsContact O-CB 3.27Å; R53-K56 WeakPolarHBondContact O-CB 2.9Å; R53-K56 PolarHBondContact O-N 2.85Å; P54-K56 VanDerWaalsContact C-N 3.31Å; P54-K56 PolarHBondContact O-N 3.46Å; K56-C137 VanDerWaalsContact O-CB 3.23Å; K56-C137 WeakPolarHBondContact O-CB 3.3Å; K56-C137 PolarHBondContact O-N 3.35Å
57	K	97.8	Very high	97.2	Very high	81 Å²	81	64.3 Å²	64.3	35%	0.352	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155.3	174.2	62.7	177.9	-178.7	167.7	0	111.7	I59 E134 I135	K57-I59 HydrophobicContact CD-CD1 4.39Å; K57-I59 HydrophobicContact CD-CG1 4.33Å; K57-I59 HydrophobicContact CG-CG1 4.46Å; K57-E134 IonicContact NZ-OE2 2.89Å; K57-E134 PolarHBondContact NZ-OE2 2.9Å; K57-I135 VanDerWaalsContact CA-O 3.23Å; K57-I135 WeakPolarHBondContact CA-O 3.33Å
58	I	98.4	Very high	97.4	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.051	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.8	167.7	-57.6	-60.9	0	0	0	107.5	I48 M52 V60 L75 E134 I135 V167 G179	I48-I58 HydrophobicContact CD1-CD1 3.95Å; I48-I58 HydrophobicContact CD1-CG1 4.35Å; I48-I58 HydrophobicContact CG1-CD1 3.95Å; I48-I58 HydrophobicContact CG2-CD1 4.21Å; M52-I58 HydrophobicContact CE-CG1 3.92Å; M52-I58 HydrophobicContact SD-CD1 4.05Å; M52-I58 HydrophobicContact SD-CG1 3.91Å; I58-V60 HydrophobicContact CG2-CG2 4.27Å; I58-L75 HydrophobicContact CG1-CD2 4.21Å; I58-E134 CarbonylContact O-C 3.08Å; I58-E134 WeakPolarHBondContact O-CA 3.33Å; I58-I135 HydrophobicContact CB-CB 4.5Å; I58-I135 PolarHBondContact N-O 3.44Å; I58-I135 PolarHBondContact O-N 3.37Å; I58-V167 HydrophobicContact CG2-CG2 4.37Å; I58-G179 CarbonylContact C-O 3.58Å; I58-G179 WeakPolarHBondContact CA-O 3.45Å
59	I	98.3	Very high	97.5	Very high	26 Å²	26	63.2 Å²	63.2	13%	0.133	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.1	175.8	-52.5	178.7	0	0	0	108	K57 M61 R132 I133 E134 L178 G179	K57-I59 HydrophobicContact CD-CD1 4.39Å; K57-I59 HydrophobicContact CD-CG1 4.33Å; K57-I59 HydrophobicContact CG-CG1 4.46Å; I59-M61 HydrophobicContact CG2-CG 4.11Å; I59-R132 HydrophobicContact CG2-CG 4.28Å; I59-I133 WeakPolarHBondContact CA-O 3.21Å; I59-E134 HydrophobicContact CG1-CG 4.21Å; I59-E134 HydrophobicContact CG2-CG 4.36Å; I59-L178 CarbonylContact O-C 3.48Å; I59-L178 WeakPolarHBondContact O-CA 3.39Å; I59-G179 PolarHBondContact N-O 2.64Å; I59-G179 PolarHBondContact O-N 2.78Å
60	V	98.3	Very high	97.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.6	171.7	-172.9	0	0	0	0	107.6	I58 V73 F131 R132 I133 I169 L178	I58-V60 HydrophobicContact CG2-CG2 4.27Å; V60-V73 HydrophobicContact CG2-CG1 4.16Å; V60-F131 HydrophobicContact CG1-CE2 4.25Å; V60-R132 CarbonylContact O-C 3.55Å; V60-R132 WeakPolarHBondContact O-CA 3.41Å; V60-I133 HydrophobicContact CB-CB 4.38Å; V60-I133 PolarHBondContact N-O 2.86Å; V60-I133 PolarHBondContact O-N 2.94Å; V60-I169 HydrophobicContact CB-CD1 4.49Å; V60-I169 HydrophobicContact CG1-CD1 3.69Å; V60-I169 HydrophobicContact CG2-CD1 3.94Å; V60-L178 HydrophobicContact CB-CD1 4.48Å; V60-L178 HydrophobicContact CG2-CD1 3.85Å
61	M	98.3	Very high	98	Very high	56 Å²	56	51.7 Å²	51.7	28%	0.276	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140	169	-57	175.8	61.6	0	0	108.5	I59 F131 R132 T176 K177	I59-M61 HydrophobicContact CG2-CG 4.11Å; M61-F131 WeakPolarHBondContact CA-O 3.38Å; M61-R132 HydrophobicContact CG-CB 4.24Å; M61-R132 HydrophobicContact CG-CG 4.03Å; M61-T176 VanDerWaalsContact C-OG1 3.29Å; M61-T176 PolarHBondContact O-N 2.86Å; M61-T176 PolarHBondContact O-OG1 3Å; M61-K177 HydrophobicContact CB-CB 4.08Å; M61-K177 HydrophobicContact CG-CB 4.46Å; M61-K177 PolarHBondContact N-O 3.29Å; M61-K177 PolarHBondContact O-N 3.09Å; M61-K177 VanDerWaalsContact O-N 3.16Å; M61-K177 HydrophobicContact SD-CB 4.28Å; M61-K177 HydrophobicContact SD-CD 4.04Å
62	G	97.5	Very high	98.1	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	-177.9	-175.9	0	0	0	0	0	112.4	P130 F131 Q174 T176	G62-P130 CarbonylContact O-C 3.6Å; G62-P130 VanDerWaalsContact O-CA 3.22Å; G62-P130 WeakPolarHBondContact O-CA 3.41Å; G62-F131 VanDerWaalsContact C-CE1 3.46Å; G62-F131 PolarHBondContact N-O 3.01Å; G62-F131 WeakPolarHBondContact O-CD1 3.39Å; G62-F131 PolarHBondContact O-N 2.65Å; G62-Q174 CarbonylContact C-O 3.54Å; G62-Q174 WeakPolarHBondContact CA-O 3.34Å; G62-T176 PolarHBondContact N-OG1 3.36Å
63	I	98.1	Very high	98.1	Very high	54 Å²	54	52.7 Å²	52.7	28%	0.277	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.8	171.3	-58.1	172.2	0	0	0	105.9	L173 Q174 T176	I63-L173 WeakPolarHBondContact O-CA 3.39Å; I63-Q174 PolarHBondContact N-O 2.89Å; I63-Q174 PolarHBondContact O-N 3.4Å; I63-T176 HydrophobicContact CD1-CG2 4.21Å; I63-T176 HydrophobicContact CG1-CG2 4.08Å
64	V	98.4	Very high	98.1	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	139.7	172.7	-177.1	0	0	0	0	108.6	P68 F98 F125 D128 Q129 F131	V64-P68 HydrophobicContact CG1-CB 3.69Å; V64-P68 HydrophobicContact CG1-CG 3.61Å; V64-F98 HydrophobicContact CB-CZ 4.39Å; V64-F98 HydrophobicContact CG1-CE1 3.63Å; V64-F98 HydrophobicContact CG1-CE2 4.2Å; V64-F98 HydrophobicContact CG1-CZ 3.33Å; V64-F98 HydrophobicContact CG2-CZ 4.11Å; V64-F125 HydrophobicContact CG2-CB 4.21Å; V64-F125 HydrophobicContact CG2-CD1 4.33Å; V64-D128 VanDerWaalsContact O-CA 3.24Å; V64-D128 WeakPolarHBondContact O-CA 3.24Å; V64-D128 PolarHBondContact O-N 3.47Å; V64-Q129 PolarHBondContact N-O 2.84Å; V64-Q129 VanDerWaalsContact N-O 3.11Å; V64-F131 HydrophobicContact CG2-CD1 3.71Å; V64-F131 HydrophobicContact CG2-CE1 4.15Å
65	D	98.4	Very high	98.1	Very high	54 Å²	54	44.4 Å²	44.4	29%	0.289	24%	0.243	S	C	.	.			trans	-62	165.2	176	-67.4	-14.7	0	0	0	111.9	E67 P68 D128 D172 L173	D65-E67 PolarHBondContact O-N 3.3Å; D65-P68 WeakPolarHBondContact O-CD 3.36Å; D65-D128 PolarHBondContact O-N 3.43Å; D65-D172 HydrophobicContact CB-CB 4.2Å; D65-D172 VanDerWaalsContact CG-C 3.45Å; D65-D172 PolarHBondContact N-O 3.29Å; D65-D172 VanDerWaalsContact OD2-CA 3.26Å; D65-D172 WeakPolarHBondContact OD2-CA 3.45Å; D65-L173 PolarHBondContact OD2-N 2.74Å
66	L	97.8	Very high	98.1	Very high	122 Å²	122	40.9 Å²	40.9	64%	0.639	21%	0.205	S	C	*	.	S	Bend	trans	-66.9	-35.1	-175.4	-177.1	63.5	0	0	0	113.2	P127 D128	L66-P127 WeakPolarHBondContact O-CB 3.12Å; L66-D128 HydrophobicContact CD1-CB 4Å
67	E	97.4	Very high	97.9	Very high	170 Å²	170	39.6 Å²	39.6	79%	0.794	20%	0.201	S	C	*	.	S	Bend	trans	-127.6	67.4	-178.6	-63	-174.8	143.7	0	0	110.7	D65	D65-E67 PolarHBondContact O-N 3.3Å
68	P	97.8	Very high	96.8	Very high	17 Å²	17	36.4 Å²	36.4	11%	0.11	19%	0.192	C	C	.	.			trans	-81.3	136.3	-170.1	34.6	-36	0	0	0	111.4	V64 D65 F98 P127 D172	V64-P68 HydrophobicContact CG1-CB 3.69Å; V64-P68 HydrophobicContact CG1-CG 3.61Å; D65-P68 WeakPolarHBondContact O-CD 3.36Å; P68-F98 HydrophobicContact CB-CD1 4.17Å; P68-F98 HydrophobicContact CB-CD2 3.73Å; P68-F98 HydrophobicContact CB-CE1 4.19Å; P68-F98 HydrophobicContact CB-CE2 3.77Å; P68-F98 HydrophobicContact CB-CG 3.95Å; P68-F98 HydrophobicContact CB-CZ 4Å; P68-F98 HydrophobicContact CG-CB 4.36Å; P68-F98 HydrophobicContact CG-CD1 3.48Å; P68-F98 VanDerWaalsContact CG-CD1 3.48Å; P68-F98 HydrophobicContact CG-CD2 3.97Å; P68-F98 HydrophobicContact CG-CE1 3.64Å; P68-F98 HydrophobicContact CG-CE2 4.13Å; P68-F98 HydrophobicContact CG-CG 3.66Å; P68-F98 HydrophobicContact CG-CZ 3.97Å; P68-F98 WeakPolarHBondContact O-CB 3.41Å; P68-P127 HydrophobicContact CG-CB 4.18Å; P68-P127 HydrophobicContact CG-CG 3.93Å; P68-D172 HydrophobicContact CB-CB 3.93Å
69	H	97.8	Very high	95.2	Very high	144 Å²	144	39.2 Å²	39.2	67%	0.667	20%	0.202	S	C	*	.			trans	-92.4	-53.4	166.6	-67.2	-55	0	0	0	110.6	F98 D172	H69-F98 PolarHBondContact O-N 3Å; H69-F98 VanDerWaalsContact O-N 3.08Å; H69-D172 WeakPolarHBondContact CA-OD2 3.33Å; H69-D172 WeakPolarHBondContact CB-OD2 3.27Å; H69-D172 PolarHBondContact N-OD2 3.17Å
70	S	98.1	Very high	93.3	Very high	46 Å²	46	43.8 Å²	43.8	32%	0.322	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	158.2	178.9	61.7	0	0	0	0	112.8	A96 G171 D172	S70-A96 WeakPolarHBondContact CA-O 3.3Å; S70-A96 VanDerWaalsContact CB-O 3.31Å; S70-A96 WeakPolarHBondContact CB-O 3.35Å; S70-G171 WeakPolarHBondContact O-CA 3.34Å; S70-D172 PolarHBondContact N-OD2 3.25Å; S70-D172 PolarHBondContact O-N 3.25Å; S70-D172 VanDerWaalsContact O-OD2 3.14Å
71	F	98.5	Very high	91.4	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	159.1	164.7	69.7	-106.5	0	0	0	112.3	V73 T95 A96 F98 F125 I133 Q170 L173	F71-V73 HydrophobicContact CD2-CG2 4.34Å; F71-V73 HydrophobicContact CE2-CG2 4.24Å; F71-T95 WeakPolarHBondContact O-CA 3.39Å; F71-A96 HydrophobicContact CD1-CB 4.13Å; F71-A96 HydrophobicContact CD2-CB 4.24Å; F71-A96 HydrophobicContact CE1-CB 3.77Å; F71-A96 HydrophobicContact CE2-CB 3.9Å; F71-A96 HydrophobicContact CG-CB 4.34Å; F71-A96 HydrophobicContact CZ-CB 3.65Å; F71-A96 PolarHBondContact N-O 3.37Å; F71-A96 VanDerWaalsContact N-O 3.16Å; F71-A96 PolarHBondContact O-N 2.73Å; F71-F98 AromaticContact CD1-CE2 3.67Å; F71-F98 HydrophobicContact CD1-CE2 3.67Å; F71-F98 HydrophobicContact CD1-CZ 4.08Å; F71-F98 AromaticContact CE1-CE2 3.84Å; F71-F98 HydrophobicContact CE1-CE2 3.84Å; F71-F98 AromaticContact CE1-CZ 3.85Å; F71-F98 HydrophobicContact CE1-CZ 3.85Å; F71-F125 HydrophobicContact CE1-CD1 4.42Å; F71-F125 AromaticContact CE1-CD2 3.99Å; F71-F125 HydrophobicContact CE1-CD2 3.99Å; F71-F125 HydrophobicContact CE1-CE1 4.47Å; F71-F125 AromaticContact CE1-CE2 3.99Å; F71-F125 HydrophobicContact CE1-CE2 3.99Å; F71-F125 HydrophobicContact CE1-CG 4.21Å; F71-F125 HydrophobicContact CE1-CZ 4.3Å; F71-F125 HydrophobicContact CE2-CE2 4.4Å; F71-F125 HydrophobicContact CE2-CZ 4.38Å; F71-F125 HydrophobicContact CZ-CD1 4.29Å; F71-F125 AromaticContact CZ-CD2 3.93Å; F71-F125 HydrophobicContact CZ-CD2 3.93Å; F71-F125 AromaticContact CZ-CE1 3.9Å; F71-F125 HydrophobicContact CZ-CE1 3.9Å; F71-F125 AromaticContact CZ-CE2 3.44Å; F71-F125 HydrophobicContact CZ-CE2 3.44Å; F71-F125 VanDerWaalsContact CZ-CE2 3.44Å; F71-F125 HydrophobicContact CZ-CG 4.32Å; F71-F125 AromaticContact CZ-CZ 3.48Å; F71-F125 HydrophobicContact CZ-CZ 3.48Å; F71-F125 VanDerWaalsContact CZ-CZ 3.48Å; F71-I133 HydrophobicContact CE2-CD1 3.81Å; F71-I133 HydrophobicContact CZ-CD1 4.1Å; F71-Q170 CarbonylContact C-O 3.58Å; F71-Q170 WeakPolarHBondContact CA-O 3.28Å; F71-Q170 WeakPolarHBondContact CB-O 3.47Å; F71-L173 HydrophobicContact CB-CD2 3.62Å; F71-L173 HydrophobicContact CB-CG 4.41Å; F71-L173 HydrophobicContact CD1-CD2 3.97Å; F71-L173 HydrophobicContact CD2-CD2 3.51Å; F71-L173 HydrophobicContact CE1-CD2 4.49Å; F71-L173 HydrophobicContact CE2-CD2 4.09Å; F71-L173 HydrophobicContact CG-CD2 3.45Å; F71-L173 VanDerWaalsContact CG-CD2 3.45Å
72	D	98.3	Very high	89.4	Confident	22 Å²	22	54.2 Å²	54.2	12%	0.118	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.3	-178.3	-73.5	-33.7	0	0	0	111.1	K93 L94 T95 I169 Q170	D72-K93 VanDerWaalsContact OD1-CE 3.26Å; D72-K93 WeakPolarHBondContact OD1-CE 3.22Å; D72-K93 IonicContact OD1-NZ 3.84Å; D72-K93 WeakPolarHBondContact OD2-CE 3.27Å; D72-K93 IonicContact OD2-NZ 2.79Å; D72-K93 PolarHBondContact OD2-NZ 3.43Å; D72-L94 CarbonylContact C-O 3.54Å; D72-L94 WeakPolarHBondContact CA-O 3.45Å; D72-T95 WeakPolarHBondContact OD1-CA 3.39Å; D72-T95 WeakPolarHBondContact OD1-CB 3.42Å; D72-T95 VanDerWaalsContact OD1-CG2 3.27Å; D72-T95 WeakPolarHBondContact OD1-CG2 3.32Å; D72-T95 PolarHBondContact OD1-OG1 2.92Å; D72-I169 VanDerWaalsContact O-CA 3.3Å; D72-I169 WeakPolarHBondContact O-CA 3.38Å; D72-Q170 HydrophobicContact CB-CB 4.5Å; D72-Q170 PolarHBondContact N-O 3.13Å; D72-Q170 PolarHBondContact O-N 2.79Å
73	V	98.4	Very high	87.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.9	162.2	-177.9	0	0	0	0	107.9	V60 F71 L94 I133 I135 V167 I169	V60-V73 HydrophobicContact CG2-CG1 4.16Å; F71-V73 HydrophobicContact CD2-CG2 4.34Å; F71-V73 HydrophobicContact CE2-CG2 4.24Å; V73-L94 PolarHBondContact N-O 2.85Å; V73-L94 WeakPolarHBondContact O-CB 3.35Å; V73-L94 PolarHBondContact O-N 2.93Å; V73-I133 HydrophobicContact CG2-CD1 4.07Å; V73-I135 HydrophobicContact CG1-CD1 3.93Å; V73-V167 HydrophobicContact CG1-CG2 4.41Å; V73-I169 HydrophobicContact CG1-CG1 4.38Å; V73-I169 HydrophobicContact CG2-CG1 4.39Å
74	S	98.3	Very high	85.7	Confident	12 Å²	12	66.1 Å²	66.1	8%	0.084	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.3	-175.3	-60.9	0	0	0	0	112.4	L92 V167 R168	S74-L92 CarbonylContact C-O 3.56Å; S74-L92 WeakPolarHBondContact CA-O 3.23Å; S74-V167 CarbonylContact O-C 3.57Å; S74-V167 WeakPolarHBondContact O-CA 3.43Å; S74-R168 PolarHBondContact N-O 2.87Å; S74-R168 PolarHBondContact O-N 2.88Å
75	L	98.3	Very high	84.1	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.5	168.7	-58.6	-176.3	0	0	0	108.9	I48 M52 I58 V90 A91 L92 I135 F142 I164 T166 V167	I48-L75 HydrophobicContact CD1-CD2 4.03Å; M52-L75 HydrophobicContact CE-CD1 4.14Å; I58-L75 HydrophobicContact CG1-CD2 4.21Å; L75-V90 CarbonylContact O-C 3.57Å; L75-A91 PolarHBondContact O-N 2.77Å; L75-L92 HydrophobicContact CB-CB 4.43Å; L75-L92 PolarHBondContact N-O 3.08Å; L75-L92 PolarHBondContact O-N 3.11Å; L75-I135 HydrophobicContact CD1-CG2 4.01Å; L75-F142 HydrophobicContact CD1-CD1 4.46Å; L75-F142 HydrophobicContact CD1-CE1 3.99Å; L75-F142 HydrophobicContact CD1-CE2 4.39Å; L75-F142 HydrophobicContact CD1-CZ 3.96Å; L75-I164 HydrophobicContact CB-CG2 3.67Å; L75-T166 WeakPolarHBondContact CA-O 3.18Å; L75-V167 HydrophobicContact CD2-CB 4.11Å; L75-V167 HydrophobicContact CD2-CG2 4.25Å
76	T	97.1	Very high	82.7	Confident	2 Å²	2	78.6 Å²	78.6	1%	0.012	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	156.5	-171.4	71.5	0	0	0	0	111.4	F88 D89 V90 D165 T166 R168	T76-F88 HydrophobicContact CG2-CD2 4.03Å; T76-F88 HydrophobicContact CG2-CE2 3.53Å; T76-F88 HydrophobicContact CG2-CZ 4.49Å; T76-D89 WeakPolarHBondContact CA-O 3.35Å; T76-V90 HydrophobicContact CG2-CG1 4.41Å; T76-V90 HydrophobicContact CG2-CG2 4.21Å; T76-D165 PolarHBondContact O-N 2.84Å; T76-T166 PolarHBondContact N-O 3.43Å; T76-T166 PolarHBondContact O-N 2.86Å; T76-T166 WeakPolarHBondContact OG1-CB 3.35Å; T76-T166 WeakPolarHBondContact OG1-CG2 3.43Å; T76-R168 HydrophobicContact CG2-CG 4.24Å; T76-R168 PolarHBondContact OG1-NE 2.83Å
77	C	94.3	Very high	81.9	Confident	12 Å²	12	75.6 Å²	75.6	8%	0.081	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	149	175.2	-55.3	0	0	0	0	111.7	F88 D89 S163	C77-F88 WeakPolarHBondContact O-CB 3.41Å; C77-D89 HydrophobicContact CB-CB 4.15Å; C77-D89 PolarHBondContact N-O 2.96Å; C77-S163 WeakPolarHBondContact CA-O 3.42Å; C77-S163 WeakPolarHBondContact CB-O 3.44Å
78	G	75.8	Confident	81.5	Confident	15 Å²	15	70.9 Å²	70.9	16%	0.155	36%	0.363	C	S	.	.			trans	65.1	64	158.1	0	0	0	0	0	114.7	D80 L81 D165	G78-D80 PolarHBondContact O-N 2.97Å; G78-D80 VanDerWaalsContact O-N 3.17Å; G78-L81 PolarHBondContact O-N 3.13Å; G78-D165 PolarHBondContact N-OD1 2.81Å
79	R	64.8	Low	81.3	Confident	69 Å²	69	72 Å²	72	26%	0.26	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-56.4	-27.8	172.3	-159.7	-171.8	-71.1	-138	-13.2	113.1	S45 G46 R47 T166	S45-R79 PolarHBondContact O-NH1 3.36Å; S45-R79 PolarHBondContact O-NH2 3.34Å; S45-R79 PolarHBondContact OG-NH2 3.42Å; G46-R79 PolarHBondContact O-NH2 2.96Å; R47-R79 VanDerWaalsContact N-NH2 3.11Å; R79-T166 PolarHBondContact NE-OG1 2.78Å; R79-T166 VanDerWaalsContact NE-OG1 3.13Å; R79-T166 PolarHBondContact NH2-OG1 3.36Å
80	D	58.5	Low	81.3	Confident	121 Å²	121	65.4 Å²	65.4	65%	0.647	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-93.8	2.6	-173.4	-55.5	-32	0	0	0	113.5	G78	G78-D80 PolarHBondContact O-N 2.97Å; G78-D80 VanDerWaalsContact O-N 3.17Å
81	L	58.6	Low	81.3	Confident	129 Å²	129	63.3 Å²	63.3	68%	0.675	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-97.7	12.4	-177.7	-71.5	170.5	0	0	0	113.8	G78 K83	G78-L81 PolarHBondContact O-N 3.13Å; L81-K83 PolarHBondContact O-N 2.83Å
82	E	56	Low	81.3	Confident	146 Å²	146	63.2 Å²	63.2	68%	0.682	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	10	175.7	-64	-175.1	168.4	0	0	114.2	R168	E82-R168 IonicContact OE1-NH2 3.94Å
83	K	56.6	Low	81.3	Confident	190 Å²	190	64.9 Å²	64.9	83%	0.826	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-20.1	-176.4	-70.3	-167.1	176.7	-172.7	0	114.9	L81	L81-K83 PolarHBondContact O-N 2.83Å
84	D	60.4	Low	81.3	Confident	115 Å²	115	64.9 Å²	64.9	62%	0.615	33%	0.329	S	S	*	.	S	Bend	trans	-112.3	133.9	170.6	-72.7	-45.2	0	0	0	106.3	L86	D84-L86 HydrophobicContact CB-CD1 4.49Å; D84-L86 PolarHBondContact O-N 3.33Å
85	D	65.8	Low	81.3	Confident	178 Å²	178	65.1 Å²	65.1	95%	0.952	33%	0.33	S	S	*	.	S	Bend	trans	-57.3	15.1	-179.4	-67.2	-56.4	0	0	0	115
86	L	69.5	Low	81.2	Confident	140 Å²	140	65.1 Å²	65.1	73%	0.733	33%	0.33	S	S	*	.	S	Bend	trans	-81.7	128.6	176	-68.7	171.7	0	0	0	111	D84 F88	D84-L86 HydrophobicContact CB-CD1 4.49Å; D84-L86 PolarHBondContact O-N 3.33Å; L86-F88 PolarHBondContact O-N 3.47Å
87	P	80.2	Confident	81.2	Confident	58 Å²	58	65.4 Å²	65.4	38%	0.377	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-63.8	130	175.2	22	-29.5	0	0	0	111.2
88	F	88.1	Confident	81.3	Confident	71 Å²	71	66.1 Å²	66.1	31%	0.311	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-60.1	151	176	54.4	-98.4	0	0	0	113	T76 C77 L86 V90 R108	T76-F88 HydrophobicContact CG2-CD2 4.03Å; T76-F88 HydrophobicContact CG2-CE2 3.53Å; T76-F88 HydrophobicContact CG2-CZ 4.49Å; C77-F88 WeakPolarHBondContact O-CB 3.41Å; L86-F88 PolarHBondContact O-N 3.47Å; F88-V90 HydrophobicContact CD2-CG2 4.02Å; F88-V90 HydrophobicContact CE2-CG2 3.82Å; F88-R108 PolarHBondContact O-NE 2.87Å; F88-R108 PolarHBondContact O-NH2 2.88Å
89	D	94.6	Very high	82.1	Confident	42 Å²	42	70 Å²	70	23%	0.225	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-67.7	141.1	174.4	-80.2	-3.8	0	0	0	111.5	T76 C77 R108 V109 S110 V158	T76-D89 WeakPolarHBondContact CA-O 3.35Å; C77-D89 HydrophobicContact CB-CB 4.15Å; C77-D89 PolarHBondContact N-O 2.96Å; D89-R108 CarbonylContact C-O 3.54Å; D89-R108 WeakPolarHBondContact CA-O 3.46Å; D89-V109 WeakPolarHBondContact OD1-CA 3.43Å; D89-S110 PolarHBondContact OD1-N 3.02Å; D89-V158 HydrophobicContact CB-CG2 4.19Å
90	V	97.2	Very high	83.4	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.03	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	108.6	176	-176.9	0	0	0	0	107.1	L75 T76 F88 L92 K93 A107 R108 W113	L75-V90 CarbonylContact O-C 3.57Å; T76-V90 HydrophobicContact CG2-CG1 4.41Å; T76-V90 HydrophobicContact CG2-CG2 4.21Å; F88-V90 HydrophobicContact CD2-CG2 4.02Å; F88-V90 HydrophobicContact CE2-CG2 3.82Å; V90-L92 VanDerWaalsContact C-N 3.34Å; V90-K93 HydrophobicContact CG1-CB 3.96Å; V90-A107 CarbonylContact O-C 3.57Å; V90-A107 WeakPolarHBondContact O-CA 3.16Å; V90-A107 VanDerWaalsContact O-CB 3.29Å; V90-A107 WeakPolarHBondContact O-CB 3.42Å; V90-R108 HydrophobicContact CB-CB 3.94Å; V90-R108 HydrophobicContact CG2-CB 4.09Å; V90-R108 PolarHBondContact N-O 2.88Å; V90-R108 PolarHBondContact O-N 3.33Å; V90-W113 HydrophobicContact CB-CH2 4.32Å; V90-W113 HydrophobicContact CB-CZ3 4.48Å; V90-W113 HydrophobicContact CG1-CH2 4.39Å; V90-W113 HydrophobicContact CG2-CH2 4.24Å
91	A	98.1	Very high	85.1	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.008	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-28.8	-177.4	0	0	0	0	0	112.9	L75 F142 F154 V158 I164	L75-A91 PolarHBondContact O-N 2.77Å; A91-F142 HydrophobicContact CB-CE2 4.38Å; A91-F154 WeakPolarHBondContact O-CE1 3.28Å; A91-V158 HydrophobicContact CB-CB 3.95Å; A91-V158 HydrophobicContact CB-CG2 3.96Å; A91-I164 HydrophobicContact CB-CB 4.49Å; A91-I164 HydrophobicContact CB-CD1 3.35Å; A91-I164 HydrophobicContact CB-CG1 3.67Å; A91-I164 HydrophobicContact CB-CG2 4.02Å
92	L	98.5	Very high	86.9	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	123.5	172.7	170.8	63.4	0	0	0	107.5	S74 L75 V90 L94 R105 I135 F142 I144 F154	S74-L92 CarbonylContact C-O 3.56Å; S74-L92 WeakPolarHBondContact CA-O 3.23Å; L75-L92 HydrophobicContact CB-CB 4.43Å; L75-L92 PolarHBondContact N-O 3.08Å; L75-L92 PolarHBondContact O-N 3.11Å; V90-L92 VanDerWaalsContact C-N 3.34Å; L92-L94 HydrophobicContact CD1-CB 4.46Å; L92-L94 HydrophobicContact CG-CB 4.4Å; L92-R105 HydrophobicContact CD1-CB 4.19Å; L92-R105 HydrophobicContact CD1-CG 4.2Å; L92-I135 HydrophobicContact CD2-CD1 4.23Å; L92-I135 HydrophobicContact CD2-CG2 4.11Å; L92-F142 HydrophobicContact CB-CD2 4.22Å; L92-F142 HydrophobicContact CB-CE2 4.27Å; L92-F142 HydrophobicContact CD2-CD2 4.28Å; L92-I144 HydrophobicContact CD2-CD1 4.41Å; L92-F154 HydrophobicContact CB-CD1 4.47Å; L92-F154 HydrophobicContact CD1-CB 4.35Å; L92-F154 HydrophobicContact CD1-CD1 3.77Å; L92-F154 HydrophobicContact CD1-CD2 4.41Å; L92-F154 HydrophobicContact CD1-CE1 4.11Å; L92-F154 HydrophobicContact CD1-CG 3.91Å
93	K	98.3	Very high	88.8	Confident	56 Å²	56	64.3 Å²	64.3	24%	0.243	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.7	158.4	176.9	166	178.5	162.3	0	106.9	D72 V90 T95 R105 S106 W113	D72-K93 VanDerWaalsContact OD1-CE 3.26Å; D72-K93 WeakPolarHBondContact OD1-CE 3.22Å; D72-K93 IonicContact OD1-NZ 3.84Å; D72-K93 WeakPolarHBondContact OD2-CE 3.27Å; D72-K93 IonicContact OD2-NZ 2.79Å; D72-K93 PolarHBondContact OD2-NZ 3.43Å; V90-K93 HydrophobicContact CG1-CB 3.96Å; K93-T95 WeakPolarHBondContact CE-OG1 3.4Å; K93-R105 VanDerWaalsContact O-CA 3.3Å; K93-R105 WeakPolarHBondContact O-CA 3.23Å; K93-S106 PolarHBondContact N-O 3.05Å; K93-S106 PolarHBondContact O-N 2.93Å; K93-S106 VanDerWaalsContact O-N 3.14Å; K93-W113 HydrophobicContact CB-CH2 4.11Å; K93-W113 HydrophobicContact CB-CZ3 3.96Å; K93-W113 HydrophobicContact CD-CH2 3.76Å; K93-W113 HydrophobicContact CD-CZ3 4.23Å
94	L	98.2	Very high	90.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.8	176.1	178.5	67.3	0	0	0	108.9	D72 V73 L92 F103 R105 I144 F152	D72-L94 CarbonylContact C-O 3.54Å; D72-L94 WeakPolarHBondContact CA-O 3.45Å; V73-L94 PolarHBondContact N-O 2.85Å; V73-L94 WeakPolarHBondContact O-CB 3.35Å; V73-L94 PolarHBondContact O-N 2.93Å; L92-L94 HydrophobicContact CD1-CB 4.46Å; L92-L94 HydrophobicContact CG-CB 4.4Å; L94-F103 HydrophobicContact CD1-CB 4.22Å; L94-F103 HydrophobicContact CD1-CD1 3.61Å; L94-F103 HydrophobicContact CD1-CE1 4.37Å; L94-F103 HydrophobicContact CD1-CG 4.31Å; L94-F103 HydrophobicContact CD2-CD1 4.42Å; L94-F103 HydrophobicContact CD2-CE1 4.41Å; L94-F103 HydrophobicContact CG-CD1 4.05Å; L94-F103 HydrophobicContact CG-CE1 4.47Å; L94-R105 HydrophobicContact CD1-CG 3.56Å; L94-I144 HydrophobicContact CD2-CG2 4.16Å; L94-F152 HydrophobicContact CD1-CE2 3.85Å; L94-F152 HydrophobicContact CD1-CZ 3.68Å
95	T	98.1	Very high	92.4	Very high	17 Å²	17	51.9 Å²	51.9	10%	0.104	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.4	177.9	-55.1	0	0	0	0	109.7	F71 D72 K93 F103 M104	F71-T95 WeakPolarHBondContact O-CA 3.39Å; D72-T95 WeakPolarHBondContact OD1-CA 3.39Å; D72-T95 WeakPolarHBondContact OD1-CB 3.42Å; D72-T95 VanDerWaalsContact OD1-CG2 3.27Å; D72-T95 WeakPolarHBondContact OD1-CG2 3.32Å; D72-T95 PolarHBondContact OD1-OG1 2.92Å; K93-T95 WeakPolarHBondContact CE-OG1 3.4Å; T95-F103 CarbonylContact O-C 3.57Å; T95-F103 VanDerWaalsContact O-CA 3.28Å; T95-F103 WeakPolarHBondContact O-CA 3.34Å; T95-M104 HydrophobicContact CG2-CE 3.51Å; T95-M104 PolarHBondContact N-O 2.84Å; T95-M104 PolarHBondContact O-N 3.24Å
96	A	97.6	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	112.7	169	0	0	0	0	0	108.9	S70 F71 F103 F123 F125	S70-A96 WeakPolarHBondContact CA-O 3.3Å; S70-A96 VanDerWaalsContact CB-O 3.31Å; S70-A96 WeakPolarHBondContact CB-O 3.35Å; F71-A96 HydrophobicContact CD1-CB 4.13Å; F71-A96 HydrophobicContact CD2-CB 4.24Å; F71-A96 HydrophobicContact CE1-CB 3.77Å; F71-A96 HydrophobicContact CE2-CB 3.9Å; F71-A96 HydrophobicContact CG-CB 4.34Å; F71-A96 HydrophobicContact CZ-CB 3.65Å; F71-A96 PolarHBondContact N-O 3.37Å; F71-A96 VanDerWaalsContact N-O 3.16Å; F71-A96 PolarHBondContact O-N 2.73Å; A96-F103 HydrophobicContact CB-CD1 4.15Å; A96-F103 HydrophobicContact CB-CE1 4.03Å; A96-F123 HydrophobicContact CB-CE2 4.09Å; A96-F123 HydrophobicContact CB-CZ 4.29Å; A96-F125 HydrophobicContact CB-CD2 3.93Å; A96-F125 HydrophobicContact CB-CE2 3.66Å
97	S	96.8	Very high	95.3	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.063	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.3	176.7	173.9	0	0	0	0	110.1	S99 N100 R101 Q102 F123	S97-S99 PolarHBondContact OG-OG 2.88Å; S97-N100 PolarHBondContact OG-N 2.91Å; S97-R101 VanDerWaalsContact O-CA 3.22Å; S97-R101 WeakPolarHBondContact O-CA 3.33Å; S97-R101 PolarHBondContact O-N 3.26Å; S97-Q102 PolarHBondContact N-O 3.29Å; S97-Q102 PolarHBondContact O-N 2.9Å; S97-Q102 VanDerWaalsContact O-N 3.11Å; S97-F123 WeakPolarHBondContact O-CE2 3.46Å; S97-F123 WeakPolarHBondContact O-CZ 3.04Å
98	F	96.5	Very high	96.1	Very high	26 Å²	26	36.4 Å²	36.4	11%	0.114	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-34.9	-179.3	-72.5	-98.5	0	0	0	112.3	V64 P68 H69 F71 R101 F123 F125	V64-F98 HydrophobicContact CB-CZ 4.39Å; V64-F98 HydrophobicContact CG1-CE1 3.63Å; V64-F98 HydrophobicContact CG1-CE2 4.2Å; V64-F98 HydrophobicContact CG1-CZ 3.33Å; V64-F98 HydrophobicContact CG2-CZ 4.11Å; P68-F98 HydrophobicContact CB-CD1 4.17Å; P68-F98 HydrophobicContact CB-CD2 3.73Å; P68-F98 HydrophobicContact CB-CE1 4.19Å; P68-F98 HydrophobicContact CB-CE2 3.77Å; P68-F98 HydrophobicContact CB-CG 3.95Å; P68-F98 HydrophobicContact CB-CZ 4Å; P68-F98 HydrophobicContact CG-CB 4.36Å; P68-F98 HydrophobicContact CG-CD1 3.48Å; P68-F98 VanDerWaalsContact CG-CD1 3.48Å; P68-F98 HydrophobicContact CG-CD2 3.97Å; P68-F98 HydrophobicContact CG-CE1 3.64Å; P68-F98 HydrophobicContact CG-CE2 4.13Å; P68-F98 HydrophobicContact CG-CG 3.66Å; P68-F98 HydrophobicContact CG-CZ 3.97Å; P68-F98 WeakPolarHBondContact O-CB 3.41Å; H69-F98 PolarHBondContact O-N 3Å; H69-F98 VanDerWaalsContact O-N 3.08Å; F71-F98 AromaticContact CD1-CE2 3.67Å; F71-F98 HydrophobicContact CD1-CE2 3.67Å; F71-F98 HydrophobicContact CD1-CZ 4.08Å; F71-F98 AromaticContact CE1-CE2 3.84Å; F71-F98 HydrophobicContact CE1-CE2 3.84Å; F71-F98 AromaticContact CE1-CZ 3.85Å; F71-F98 HydrophobicContact CE1-CZ 3.85Å; F98-R101 VanDerWaalsContact O-CG 3.31Å; F98-R101 WeakPolarHBondContact O-CG 3.38Å; F98-R101 PolarHBondContact O-N 3.34Å; F98-F123 AromaticContact CD1-CE1 3.62Å; F98-F123 HydrophobicContact CD1-CE1 3.62Å; F98-F123 AromaticContact CD1-CZ 3.93Å; F98-F123 HydrophobicContact CD1-CZ 3.93Å; F98-F123 HydrophobicContact CD2-CZ 4.17Å; F98-F123 AromaticContact CE1-CE1 3.78Å; F98-F123 HydrophobicContact CE1-CE1 3.78Å; F98-F123 HydrophobicContact CE1-CZ 4.05Å; F98-F123 HydrophobicContact CE2-CZ 4.26Å; F98-F123 HydrophobicContact CG-CE1 4.11Å; F98-F123 AromaticContact CG-CZ 4Å; F98-F123 HydrophobicContact CG-CZ 4Å; F98-F123 HydrophobicContact CZ-CE1 4.37Å; F98-F123 HydrophobicContact CZ-CZ 4.2Å; F98-F125 HydrophobicContact CE1-CB 3.54Å; F98-F125 HydrophobicContact CZ-CB 3.67Å; F98-F125 HydrophobicContact CZ-CD2 4.43Å; F98-F125 HydrophobicContact CZ-CG 4.26Å
99	S	92.6	Very high	96.4	Very high	97 Å²	97	35.2 Å²	35.2	68%	0.678	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-44.8	175.8	52	0	0	0	0	112.1	S97	S97-S99 PolarHBondContact OG-OG 2.88Å
100	N	92.1	Very high	96.2	Very high	108 Å²	108	38.2 Å²	38.2	58%	0.578	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-7.5	179.9	-62.2	-26.1	0	0	0	113	S97 Q102	S97-N100 PolarHBondContact OG-N 2.91Å; N100-Q102 VanDerWaalsContact C-N 3.3Å; N100-Q102 HydrophobicContact CB-CB 4.34Å; N100-Q102 PolarHBondContact O-N 3.19Å
101	R	94.5	Very high	95.8	Very high	171 Å²	171	39.6 Å²	39.6	65%	0.645	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.4	52.8	-173	-60	-170.3	68.7	-171	0.3	112	S97 F98 F123	S97-R101 VanDerWaalsContact O-CA 3.22Å; S97-R101 WeakPolarHBondContact O-CA 3.33Å; S97-R101 PolarHBondContact O-N 3.26Å; F98-R101 VanDerWaalsContact O-CG 3.31Å; F98-R101 WeakPolarHBondContact O-CG 3.38Å; F98-R101 PolarHBondContact O-N 3.34Å; R101-F123 HydrophobicContact CB-CB 3.93Å; R101-F123 HydrophobicContact CB-CD1 4.25Å; R101-F123 HydrophobicContact CB-CG 4.01Å; R101-F123 HydrophobicContact CG-CD1 4.47Å; R101-F123 WeakPolarHBondContact O-CB 3.32Å
102	Q	94.9	Very high	95.5	Very high	67 Å²	67	47.4 Å²	47.4	31%	0.313	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	152.3	-172.8	-171.2	169.9	29.6	0	0	111.8	S97 N100 A118	S97-Q102 PolarHBondContact N-O 3.29Å; S97-Q102 PolarHBondContact O-N 2.9Å; S97-Q102 VanDerWaalsContact O-N 3.11Å; N100-Q102 VanDerWaalsContact C-N 3.3Å; N100-Q102 HydrophobicContact CB-CB 4.34Å; N100-Q102 PolarHBondContact O-N 3.19Å; Q102-A118 HydrophobicContact CG-CB 4.46Å; Q102-A118 WeakPolarHBondContact CG-O 3.41Å; Q102-A118 PolarHBondContact NE2-O 3.02Å
103	F	95.9	Very high	95.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.2	163.5	-67.9	-95.3	0	0	0	111.4	L94 T95 A96 A118 T120 F123 P124 F125 V146 L151 F152	L94-F103 HydrophobicContact CD1-CB 4.22Å; L94-F103 HydrophobicContact CD1-CD1 3.61Å; L94-F103 HydrophobicContact CD1-CE1 4.37Å; L94-F103 HydrophobicContact CD1-CG 4.31Å; L94-F103 HydrophobicContact CD2-CD1 4.42Å; L94-F103 HydrophobicContact CD2-CE1 4.41Å; L94-F103 HydrophobicContact CG-CD1 4.05Å; L94-F103 HydrophobicContact CG-CE1 4.47Å; T95-F103 CarbonylContact O-C 3.57Å; T95-F103 VanDerWaalsContact O-CA 3.28Å; T95-F103 WeakPolarHBondContact O-CA 3.34Å; A96-F103 HydrophobicContact CB-CD1 4.15Å; A96-F103 HydrophobicContact CB-CE1 4.03Å; F103-A118 WeakPolarHBondContact O-CA 3.26Å; F103-T120 HydrophobicContact CD2-CG2 3.56Å; F103-T120 HydrophobicContact CE2-CG2 4.16Å; F103-T120 PolarHBondContact N-OG1 3.01Å; F103-F123 HydrophobicContact CD2-CD2 4.29Å; F103-F123 HydrophobicContact CE2-CD2 4.17Å; F103-P124 VanDerWaalsContact CE2-CD 3.43Å; F103-P124 HydrophobicContact CE2-CG 4.04Å; F103-P124 HydrophobicContact CZ-CG 3.93Å; F103-F125 HydrophobicContact CE1-CD2 4.43Å; F103-F125 AromaticContact CE1-CE2 3.35Å; F103-F125 HydrophobicContact CE1-CE2 3.35Å; F103-F125 AromaticContact CE1-CZ 3.88Å; F103-F125 HydrophobicContact CE1-CZ 3.88Å; F103-F125 HydrophobicContact CE2-CE2 4.16Å; F103-F125 AromaticContact CZ-CD2 4Å; F103-F125 HydrophobicContact CZ-CD2 4Å; F103-F125 AromaticContact CZ-CE2 3.12Å; F103-F125 HydrophobicContact CZ-CE2 3.12Å; F103-F125 AromaticContact CZ-CZ 3.65Å; F103-F125 HydrophobicContact CZ-CZ 3.65Å; F103-V146 HydrophobicContact CZ-CG2 4.2Å; F103-L151 HydrophobicContact CD2-CD1 4.27Å; F103-L151 HydrophobicContact CE2-CD1 3.48Å; F103-L151 VanDerWaalsContact CE2-CD1 3.48Å; F103-L151 HydrophobicContact CZ-CD1 3.71Å; F103-F152 HydrophobicContact CB-CE1 3.72Å; F103-F152 HydrophobicContact CB-CZ 3.87Å; F103-F152 HydrophobicContact CD1-CE1 4.34Å; F103-F152 AromaticContact CD1-CZ 3.97Å; F103-F152 HydrophobicContact CD1-CZ 3.97Å; F103-F152 AromaticContact CD2-CE1 3.75Å; F103-F152 HydrophobicContact CD2-CE1 3.75Å; F103-F152 HydrophobicContact CD2-CZ 4.2Å; F103-F152 HydrophobicContact CE1-CZ 4.42Å; F103-F152 HydrophobicContact CE2-CE1 4.32Å; F103-F152 AromaticContact CG-CE1 3.7Å; F103-F152 HydrophobicContact CG-CE1 3.7Å; F103-F152 AromaticContact CG-CZ 3.78Å; F103-F152 HydrophobicContact CG-CZ 3.78Å
104	M	96.4	Very high	95.3	Very high	39 Å²	39	52.9 Å²	52.9	19%	0.192	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.9	171.7	-63.5	175.6	-52.7	0	0	108	T95 E116	T95-M104 HydrophobicContact CG2-CE 3.51Å; T95-M104 PolarHBondContact N-O 2.84Å; T95-M104 PolarHBondContact O-N 3.24Å; M104-E116 VanDerWaalsContact CB-CD 3.42Å; M104-E116 HydrophobicContact CB-CG 3.88Å; M104-E116 WeakPolarHBondContact CB-OE1 3.48Å; M104-E116 HydrophobicContact CG-CG 4.38Å; M104-E116 WeakPolarHBondContact CG-OE1 3.45Å
105	R	97.4	Very high	95.2	Very high	4 Å²	4	60 Å²	60	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.8	177.5	-62.6	148.1	-71.1	177.2	-11.3	109.9	L92 K93 L94 E116 E117 S119 F152 D153 F154	L92-R105 HydrophobicContact CD1-CB 4.19Å; L92-R105 HydrophobicContact CD1-CG 4.2Å; K93-R105 VanDerWaalsContact O-CA 3.3Å; K93-R105 WeakPolarHBondContact O-CA 3.23Å; L94-R105 HydrophobicContact CD1-CG 3.56Å; R105-E116 WeakPolarHBondContact O-CA 3.47Å; R105-E117 HydrophobicContact CB-CB 4.36Å; R105-E117 VanDerWaalsContact CZ-O 3.25Å; R105-E117 PolarHBondContact N-O 3.19Å; R105-E117 PolarHBondContact NE-O 3.17Å; R105-E117 VanDerWaalsContact NH2-C 3.31Å; R105-E117 PolarHBondContact NH2-O 2.96Å; R105-E117 PolarHBondContact O-N 3.47Å; R105-S119 VanDerWaalsContact NH2-N 3.15Å; R105-S119 PolarHBondContact NH2-O 3.11Å; R105-S119 PolarHBondContact NH2-OG 2.8Å; R105-F152 VanDerWaalsContact CD-CD2 3.48Å; R105-F152 VanDerWaalsContact CD-CE2 3.47Å; R105-F152 HydrophobicContact CG-CE2 4.21Å; R105-D153 PolarHBondContact NH1-O 3.36Å; R105-F154 HydrophobicContact CB-CD2 3.69Å; R105-F154 HydrophobicContact CB-CE2 3.82Å; R105-F154 HydrophobicContact CG-CD2 4.46Å
106	S	97.6	Very high	95	Very high	14 Å²	14	64.3 Å²	64.3	10%	0.098	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166	173.7	59.2	0	0	0	0	110.2	K93 W113	K93-S106 PolarHBondContact N-O 3.05Å; K93-S106 PolarHBondContact O-N 2.93Å; K93-S106 VanDerWaalsContact O-N 3.14Å; S106-W113 VanDerWaalsContact OG-CZ3 3.28Å; S106-W113 WeakPolarHBondContact OG-CZ3 3.31Å
107	A	98.1	Very high	94.9	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155.6	171.3	0	0	0	0	0	109.2	V90 W113 T114 F154 K157	V90-A107 CarbonylContact O-C 3.57Å; V90-A107 WeakPolarHBondContact O-CA 3.16Å; V90-A107 VanDerWaalsContact O-CB 3.29Å; V90-A107 WeakPolarHBondContact O-CB 3.42Å; A107-W113 CarbonylContact O-C 3.51Å; A107-W113 VanDerWaalsContact O-CA 3.32Å; A107-W113 WeakPolarHBondContact O-CA 3.4Å; A107-W113 VanDerWaalsContact O-CE3 3.32Å; A107-T114 HydrophobicContact CB-CG2 4.09Å; A107-T114 PolarHBondContact N-OG1 2.94Å; A107-T114 PolarHBondContact O-N 2.9Å; A107-T114 PolarHBondContact O-OG1 2.74Å; A107-F154 HydrophobicContact CB-CE1 4.15Å; A107-F154 HydrophobicContact CB-CZ 3.99Å; A107-K157 HydrophobicContact CB-CB 3.78Å; A107-K157 HydrophobicContact CB-CG 3.71Å
108	R	96.6	Very high	94.7	Very high	38 Å²	38	67.5 Å²	67.5	14%	0.143	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121	168.3	-174.6	171.7	66	-170.2	-1	108.5	F88 D89 V90 K112 W113	F88-R108 PolarHBondContact O-NE 2.87Å; F88-R108 PolarHBondContact O-NH2 2.88Å; D89-R108 CarbonylContact C-O 3.54Å; D89-R108 WeakPolarHBondContact CA-O 3.46Å; V90-R108 HydrophobicContact CB-CB 3.94Å; V90-R108 HydrophobicContact CG2-CB 4.09Å; V90-R108 PolarHBondContact N-O 2.88Å; V90-R108 PolarHBondContact O-N 3.33Å; R108-K112 CarbonylContact C-O 3.49Å; R108-K112 VanDerWaalsContact CA-O 3.27Å; R108-K112 WeakPolarHBondContact CA-O 3.11Å; R108-W113 HydrophobicContact CB-CD2 3.95Å; R108-W113 HydrophobicContact CB-CE3 3.95Å; R108-W113 HydrophobicContact CB-CH2 4.26Å; R108-W113 HydrophobicContact CB-CZ2 4.27Å; R108-W113 HydrophobicContact CB-CZ3 4.11Å; R108-W113 HydrophobicContact CG-CD2 4.45Å
109	V	94.1	Very high	94.1	Very high	46 Å²	46	70.7 Å²	70.7	28%	0.279	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.5	-179.5	-174.6	0	0	0	0	108.7	D89 G111 K112 K157 V158	D89-V109 WeakPolarHBondContact OD1-CA 3.43Å; V109-G111 PolarHBondContact O-N 2.9Å; V109-K112 PolarHBondContact N-O 3.16Å; V109-K112 PolarHBondContact O-N 2.87Å; V109-K112 VanDerWaalsContact O-N 3.09Å; V109-K157 HydrophobicContact CG2-CB 3.93Å; V109-V158 HydrophobicContact CG2-CG2 3.94Å
110	S	90.1	Very high	93.8	Very high	104 Å²	104	67.8 Å²	67.8	73%	0.727	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	44.9	-177.6	-54.3	0	0	0	0	111.7	D89 K112	D89-S110 PolarHBondContact OD1-N 3.02Å; S110-K112 VanDerWaalsContact C-N 3.28Å; S110-K112 PolarHBondContact O-N 3.02Å
111	G	88.8	Confident	93.6	Very high	35 Å²	35	67.7 Å²	67.7	36%	0.361	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	0.4	178.2	0	0	0	0	0	116.5	V109	V109-G111 PolarHBondContact O-N 2.9Å
112	K	93.6	Very high	93.5	Very high	164 Å²	164	64.3 Å²	64.3	71%	0.713	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.6	179	-64.2	-177.9	-178.8	179.3	0	111.8	R108 V109 S110	R108-K112 CarbonylContact C-O 3.49Å; R108-K112 VanDerWaalsContact CA-O 3.27Å; R108-K112 WeakPolarHBondContact CA-O 3.11Å; V109-K112 PolarHBondContact N-O 3.16Å; V109-K112 PolarHBondContact O-N 2.87Å; V109-K112 VanDerWaalsContact O-N 3.09Å; S110-K112 VanDerWaalsContact C-N 3.28Å; S110-K112 PolarHBondContact O-N 3.02Å
113	W	96.1	Very high	93.6	Very high	128 Å²	128	62 Å²	62	49%	0.485	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	141.5	172.6	-72.1	101.8	0	0	0	110.9	V90 K93 S106 A107 R108	V90-W113 HydrophobicContact CB-CH2 4.32Å; V90-W113 HydrophobicContact CB-CZ3 4.48Å; V90-W113 HydrophobicContact CG1-CH2 4.39Å; V90-W113 HydrophobicContact CG2-CH2 4.24Å; K93-W113 HydrophobicContact CB-CH2 4.11Å; K93-W113 HydrophobicContact CB-CZ3 3.96Å; K93-W113 HydrophobicContact CD-CH2 3.76Å; K93-W113 HydrophobicContact CD-CZ3 4.23Å; S106-W113 VanDerWaalsContact OG-CZ3 3.28Å; S106-W113 WeakPolarHBondContact OG-CZ3 3.31Å; A107-W113 CarbonylContact O-C 3.51Å; A107-W113 VanDerWaalsContact O-CA 3.32Å; A107-W113 WeakPolarHBondContact O-CA 3.4Å; A107-W113 VanDerWaalsContact O-CE3 3.32Å; R108-W113 HydrophobicContact CB-CD2 3.95Å; R108-W113 HydrophobicContact CB-CE3 3.95Å; R108-W113 HydrophobicContact CB-CH2 4.26Å; R108-W113 HydrophobicContact CB-CZ2 4.27Å; R108-W113 HydrophobicContact CB-CZ3 4.11Å; R108-W113 HydrophobicContact CG-CD2 4.45Å
114	T	96.5	Very high	93.5	Very high	43 Å²	43	63.2 Å²	63.2	26%	0.264	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-79.6	163.9	167.8	66.1	0	0	0	0	110.3	A107 K157	A107-T114 HydrophobicContact CB-CG2 4.09Å; A107-T114 PolarHBondContact N-OG1 2.94Å; A107-T114 PolarHBondContact O-N 2.9Å; A107-T114 PolarHBondContact O-OG1 2.74Å; T114-K157 HydrophobicContact CG2-CB 4.33Å; T114-K157 HydrophobicContact CG2-CD 4.49Å; T114-K157 HydrophobicContact CG2-CG 4.11Å
115	D	94.7	Very high	93.6	Very high	151 Å²	151	61.8 Å²	61.8	81%	0.807	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-54.5	144.6	167.4	-59	-32.4	0	0	0	110.8
116	E	94.5	Very high	93.5	Very high	107 Å²	107	66.7 Å²	66.7	50%	0.5	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-82.5	130.1	-177	-167.3	177.4	94.4	0	0	111.1	M104 R105	M104-E116 VanDerWaalsContact CB-CD 3.42Å; M104-E116 HydrophobicContact CB-CG 3.88Å; M104-E116 WeakPolarHBondContact CB-OE1 3.48Å; M104-E116 HydrophobicContact CG-CG 4.38Å; M104-E116 WeakPolarHBondContact CG-OE1 3.45Å; R105-E116 WeakPolarHBondContact O-CA 3.47Å
117	E	95.2	Very high	93.6	Very high	50 Å²	50	68.8 Å²	68.8	23%	0.234	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-97.2	106.7	174.2	-61.3	179.8	-156.1	0	0	108.7	R105 F154 K157	R105-E117 HydrophobicContact CB-CB 4.36Å; R105-E117 VanDerWaalsContact CZ-O 3.25Å; R105-E117 PolarHBondContact N-O 3.19Å; R105-E117 PolarHBondContact NE-O 3.17Å; R105-E117 VanDerWaalsContact NH2-C 3.31Å; R105-E117 PolarHBondContact NH2-O 2.96Å; R105-E117 PolarHBondContact O-N 3.47Å; E117-F154 HydrophobicContact CG-CE2 4.3Å; E117-K157 IonicContact OE1-NZ 2.9Å; E117-K157 PolarHBondContact OE1-NZ 2.83Å
118	A	92.4	Very high	93.6	Very high	26 Å²	26	73.4 Å²	73.4	22%	0.215	40%	0.403	C	S	.	.			trans	-108.2	-5.5	-172.7	0	0	0	0	0	114.4	Q102 F103 T120	Q102-A118 HydrophobicContact CG-CB 4.46Å; Q102-A118 WeakPolarHBondContact CG-O 3.41Å; Q102-A118 PolarHBondContact NE2-O 3.02Å; F103-A118 WeakPolarHBondContact O-CA 3.26Å; A118-T120 PolarHBondContact O-N 2.88Å; A118-T120 VanDerWaalsContact O-N 3.13Å; A118-T120 PolarHBondContact O-OG1 2.7Å
119	S	85.3	Confident	93.7	Very high	92 Å²	92	76.2 Å²	76.2	64%	0.643	42%	0.418	S	S	*	.			trans	-61.6	115.3	-179.1	55.7	0	0	0	0	112.2	R105	R105-S119 VanDerWaalsContact NH2-N 3.15Å; R105-S119 PolarHBondContact NH2-O 3.11Å; R105-S119 PolarHBondContact NH2-OG 2.8Å
120	T	85.6	Confident	93.9	Very high	36 Å²	36	78.3 Å²	78.3	22%	0.221	43%	0.432	C	S	.	.			trans	-136.6	131.8	179.7	-53.8	0	0	0	0	108.8	F103 A118 Y122 F152	F103-T120 HydrophobicContact CD2-CG2 3.56Å; F103-T120 HydrophobicContact CE2-CG2 4.16Å; F103-T120 PolarHBondContact N-OG1 3.01Å; A118-T120 PolarHBondContact O-N 2.88Å; A118-T120 VanDerWaalsContact O-N 3.13Å; A118-T120 PolarHBondContact O-OG1 2.7Å; T120-Y122 WeakPolarHBondContact CG2-O 3.31Å; T120-F152 HydrophobicContact CG2-CD1 4.48Å; T120-F152 HydrophobicContact CG2-CE1 4.29Å
121	S	87.6	Confident	94.2	Very high	107 Å²	107	73.7 Å²	73.7	75%	0.748	40%	0.399	S	S	*	.	S	Bend	trans	-70	-36.6	178.6	-57.5	0	0	0	0	113.4
122	Y	92.3	Very high	94.7	Very high	100 Å²	100	75.7 Å²	75.7	39%	0.392	40%	0.396	S	S	.	.			trans	-159.2	159.6	175.2	69.6	-81.9	0	0	0	111	T120 P124 H149 L151	T120-Y122 WeakPolarHBondContact CG2-O 3.31Å; Y122-P124 HydrophobicContact CD2-CB 4.23Å; Y122-P124 HydrophobicContact CE2-CB 3.68Å; Y122-H149 VanDerWaalsContact OH-CB 3.24Å; Y122-H149 WeakPolarHBondContact OH-CB 3.17Å; Y122-L151 HydrophobicContact CD1-CD2 3.83Å; Y122-L151 HydrophobicContact CE1-CD2 3.21Å; Y122-L151 HydrophobicContact CE2-CD2 4.14Å; Y122-L151 HydrophobicContact CG-CD2 4.48Å
123	F	96.1	Very high	94.9	Very high	18 Å²	18	67.9 Å²	67.9	8%	0.079	36%	0.362	C	S	.	.			trans	-101	111.8	175.7	-168.2	-101.3	0	0	0	110.3	A96 S97 F98 R101 F103 F125	A96-F123 HydrophobicContact CB-CE2 4.09Å; A96-F123 HydrophobicContact CB-CZ 4.29Å; S97-F123 WeakPolarHBondContact O-CE2 3.46Å; S97-F123 WeakPolarHBondContact O-CZ 3.04Å; F98-F123 AromaticContact CD1-CE1 3.62Å; F98-F123 HydrophobicContact CD1-CE1 3.62Å; F98-F123 AromaticContact CD1-CZ 3.93Å; F98-F123 HydrophobicContact CD1-CZ 3.93Å; F98-F123 HydrophobicContact CD2-CZ 4.17Å; F98-F123 AromaticContact CE1-CE1 3.78Å; F98-F123 HydrophobicContact CE1-CE1 3.78Å; F98-F123 HydrophobicContact CE1-CZ 4.05Å; F98-F123 HydrophobicContact CE2-CZ 4.26Å; F98-F123 HydrophobicContact CG-CE1 4.11Å; F98-F123 AromaticContact CG-CZ 4Å; F98-F123 HydrophobicContact CG-CZ 4Å; F98-F123 HydrophobicContact CZ-CE1 4.37Å; F98-F123 HydrophobicContact CZ-CZ 4.2Å; R101-F123 HydrophobicContact CB-CB 3.93Å; R101-F123 HydrophobicContact CB-CD1 4.25Å; R101-F123 HydrophobicContact CB-CG 4.01Å; R101-F123 HydrophobicContact CG-CD1 4.47Å; R101-F123 WeakPolarHBondContact O-CB 3.32Å; F103-F123 HydrophobicContact CD2-CD2 4.29Å; F103-F123 HydrophobicContact CE2-CD2 4.17Å; F123-F125 HydrophobicContact CD1-CB 4.38Å; F123-F125 HydrophobicContact CE1-CB 3.77Å; F123-F125 HydrophobicContact CE1-CD2 4.11Å; F123-F125 HydrophobicContact CE1-CG 4.47Å; F123-F125 AromaticContact CE2-CD2 3.98Å; F123-F125 HydrophobicContact CE2-CD2 3.98Å; F123-F125 HydrophobicContact CZ-CB 4.17Å; F123-F125 AromaticContact CZ-CD2 3.73Å; F123-F125 HydrophobicContact CZ-CD2 3.73Å; F123-F125 HydrophobicContact CZ-CG 4.47Å
124	P	95.4	Very high	95.1	Very high	25 Å²	25	62.8 Å²	62.8	16%	0.162	34%	0.343	C	S	.	.			trans	-84.1	-14.3	-169	33.9	-37.9	0	0	0	114.3	F103 Y122 V146 L151	F103-P124 VanDerWaalsContact CE2-CD 3.43Å; F103-P124 HydrophobicContact CE2-CG 4.04Å; F103-P124 HydrophobicContact CZ-CG 3.93Å; Y122-P124 HydrophobicContact CD2-CB 4.23Å; Y122-P124 HydrophobicContact CE2-CB 3.68Å; P124-V146 HydrophobicContact CB-CB 4.24Å; P124-V146 HydrophobicContact CB-CG1 3.74Å; P124-V146 HydrophobicContact CG-CB 3.84Å; P124-V146 HydrophobicContact CG-CG1 3.5Å; P124-V146 HydrophobicContact CG-CG2 4.1Å; P124-L151 HydrophobicContact CG-CD1 4.12Å
125	F	97.1	Very high	95.2	Very high	10 Å²	10	60.7 Å²	60.7	4%	0.044	33%	0.33	C	S	.	.			trans	-86	141.7	-170.6	-56.2	-62.1	0	0	0	112.6	V64 F71 A96 F98 F103 F123 F131 I133 V146	V64-F125 HydrophobicContact CG2-CB 4.21Å; V64-F125 HydrophobicContact CG2-CD1 4.33Å; F71-F125 HydrophobicContact CE1-CD1 4.42Å; F71-F125 AromaticContact CE1-CD2 3.99Å; F71-F125 HydrophobicContact CE1-CD2 3.99Å; F71-F125 HydrophobicContact CE1-CE1 4.47Å; F71-F125 AromaticContact CE1-CE2 3.99Å; F71-F125 HydrophobicContact CE1-CE2 3.99Å; F71-F125 HydrophobicContact CE1-CG 4.21Å; F71-F125 HydrophobicContact CE1-CZ 4.3Å; F71-F125 HydrophobicContact CE2-CE2 4.4Å; F71-F125 HydrophobicContact CE2-CZ 4.38Å; F71-F125 HydrophobicContact CZ-CD1 4.29Å; F71-F125 AromaticContact CZ-CD2 3.93Å; F71-F125 HydrophobicContact CZ-CD2 3.93Å; F71-F125 AromaticContact CZ-CE1 3.9Å; F71-F125 HydrophobicContact CZ-CE1 3.9Å; F71-F125 AromaticContact CZ-CE2 3.44Å; F71-F125 HydrophobicContact CZ-CE2 3.44Å; F71-F125 VanDerWaalsContact CZ-CE2 3.44Å; F71-F125 HydrophobicContact CZ-CG 4.32Å; F71-F125 AromaticContact CZ-CZ 3.48Å; F71-F125 HydrophobicContact CZ-CZ 3.48Å; F71-F125 VanDerWaalsContact CZ-CZ 3.48Å; A96-F125 HydrophobicContact CB-CD2 3.93Å; A96-F125 HydrophobicContact CB-CE2 3.66Å; F98-F125 HydrophobicContact CE1-CB 3.54Å; F98-F125 HydrophobicContact CZ-CB 3.67Å; F98-F125 HydrophobicContact CZ-CD2 4.43Å; F98-F125 HydrophobicContact CZ-CG 4.26Å; F103-F125 HydrophobicContact CE1-CD2 4.43Å; F103-F125 AromaticContact CE1-CE2 3.35Å; F103-F125 HydrophobicContact CE1-CE2 3.35Å; F103-F125 AromaticContact CE1-CZ 3.88Å; F103-F125 HydrophobicContact CE1-CZ 3.88Å; F103-F125 HydrophobicContact CE2-CE2 4.16Å; F103-F125 AromaticContact CZ-CD2 4Å; F103-F125 HydrophobicContact CZ-CD2 4Å; F103-F125 AromaticContact CZ-CE2 3.12Å; F103-F125 HydrophobicContact CZ-CE2 3.12Å; F103-F125 AromaticContact CZ-CZ 3.65Å; F103-F125 HydrophobicContact CZ-CZ 3.65Å; F123-F125 HydrophobicContact CD1-CB 4.38Å; F123-F125 HydrophobicContact CE1-CB 3.77Å; F123-F125 HydrophobicContact CE1-CD2 4.11Å; F123-F125 HydrophobicContact CE1-CG 4.47Å; F123-F125 AromaticContact CE2-CD2 3.98Å; F123-F125 HydrophobicContact CE2-CD2 3.98Å; F123-F125 HydrophobicContact CZ-CB 4.17Å; F123-F125 AromaticContact CZ-CD2 3.73Å; F123-F125 HydrophobicContact CZ-CD2 3.73Å; F123-F125 HydrophobicContact CZ-CG 4.47Å; F125-F131 HydrophobicContact CD1-CB 3.77Å; F125-F131 HydrophobicContact CD1-CD1 4.45Å; F125-F131 HydrophobicContact CD1-CG 4.03Å; F125-F131 HydrophobicContact CE1-CB 3.7Å; F125-F131 HydrophobicContact CE1-CD1 4.49Å; F125-F131 AromaticContact CE1-CD2 3.9Å; F125-F131 HydrophobicContact CE1-CD2 3.9Å; F125-F131 AromaticContact CE1-CG 3.77Å; F125-F131 HydrophobicContact CE1-CG 3.77Å; F125-I133 HydrophobicContact CE1-CD1 4.4Å; F125-I133 HydrophobicContact CE1-CG1 4.34Å; F125-I133 HydrophobicContact CZ-CD1 3.91Å; F125-I133 HydrophobicContact CZ-CG1 4.05Å; F125-V146 HydrophobicContact CE1-CG1 3.83Å; F125-V146 HydrophobicContact CZ-CG1 4.14Å; F125-V146 HydrophobicContact CZ-CG2 4.21Å
126	I	96.9	Very high	95.4	Very high	107 Å²	107	56.1 Å²	56.1	55%	0.549	30%	0.304	S	S	.	.			trans	-126.4	134.6	176.5	-56.6	173.3	0	0	0	106.6	Q129	I126-Q129 HydrophobicContact CB-CB 3.98Å; I126-Q129 HydrophobicContact CB-CG 3.76Å; I126-Q129 HydrophobicContact CG2-CB 4.41Å; I126-Q129 HydrophobicContact CG2-CG 3.68Å; I126-Q129 WeakPolarHBondContact O-CB 3.33Å; I126-Q129 PolarHBondContact O-N 3.35Å
127	P	98.1	Very high	95.6	Very high	57 Å²	57	51.1 Å²	51.1	37%	0.37	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	143.5	174.4	-24.7	34.1	0	0	0	112.3	L66 P68 Q129	L66-P127 WeakPolarHBondContact O-CB 3.12Å; P68-P127 HydrophobicContact CG-CB 4.18Å; P68-P127 HydrophobicContact CG-CG 3.93Å; P127-Q129 PolarHBondContact O-N 3.32Å; P127-Q129 VanDerWaalsContact O-N 3.14Å
128	D	98	Very high	95.7	Very high	98 Å²	98	51.8 Å²	51.8	52%	0.524	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	22.4	-179.1	-161	42.2	0	0	0	114.6	V64 D65 L66	V64-D128 VanDerWaalsContact O-CA 3.24Å; V64-D128 WeakPolarHBondContact O-CA 3.24Å; V64-D128 PolarHBondContact O-N 3.47Å; D65-D128 PolarHBondContact O-N 3.43Å; L66-D128 HydrophobicContact CD1-CB 4Å
129	Q	98.4	Very high	95.9	Very high	97 Å²	97	58 Å²	58	45%	0.453	31%	0.308	S	S	.	.			trans	-115.5	148.3	176.1	-67.6	-61.6	-57.3	0	0	111.9	V64 I126 P127	V64-Q129 PolarHBondContact N-O 2.84Å; V64-Q129 VanDerWaalsContact N-O 3.11Å; I126-Q129 HydrophobicContact CB-CB 3.98Å; I126-Q129 HydrophobicContact CB-CG 3.76Å; I126-Q129 HydrophobicContact CG2-CB 4.41Å; I126-Q129 HydrophobicContact CG2-CG 3.68Å; I126-Q129 WeakPolarHBondContact O-CB 3.33Å; I126-Q129 PolarHBondContact O-N 3.35Å; P127-Q129 PolarHBondContact O-N 3.32Å; P127-Q129 VanDerWaalsContact O-N 3.14Å
130	P	98.4	Very high	96.5	Very high	90 Å²	90	60.3 Å²	60.3	58%	0.584	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	151	174.2	31.1	-35.1	0	0	0	110.9	G62	G62-P130 CarbonylContact O-C 3.6Å; G62-P130 VanDerWaalsContact O-CA 3.22Å; G62-P130 WeakPolarHBondContact O-CA 3.41Å
131	F	98.3	Very high	97.1	Very high	6 Å²	6	60.8 Å²	60.8	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	163.4	173.5	70.1	-92.9	0	0	0	111.3	V60 M61 G62 V64 F125 I133 L173	V60-F131 HydrophobicContact CG1-CE2 4.25Å; M61-F131 WeakPolarHBondContact CA-O 3.38Å; G62-F131 VanDerWaalsContact C-CE1 3.46Å; G62-F131 PolarHBondContact N-O 3.01Å; G62-F131 WeakPolarHBondContact O-CD1 3.39Å; G62-F131 PolarHBondContact O-N 2.65Å; V64-F131 HydrophobicContact CG2-CD1 3.71Å; V64-F131 HydrophobicContact CG2-CE1 4.15Å; F125-F131 HydrophobicContact CD1-CB 3.77Å; F125-F131 HydrophobicContact CD1-CD1 4.45Å; F125-F131 HydrophobicContact CD1-CG 4.03Å; F125-F131 HydrophobicContact CE1-CB 3.7Å; F125-F131 HydrophobicContact CE1-CD1 4.49Å; F125-F131 AromaticContact CE1-CD2 3.9Å; F125-F131 HydrophobicContact CE1-CD2 3.9Å; F125-F131 AromaticContact CE1-CG 3.77Å; F125-F131 HydrophobicContact CE1-CG 3.77Å; F131-I133 HydrophobicContact CD2-CD1 4.08Å; F131-I133 HydrophobicContact CD2-CG1 3.9Å; F131-I133 HydrophobicContact CE2-CD1 3.8Å; F131-I133 HydrophobicContact CE2-CG1 4.04Å; F131-L173 HydrophobicContact CE1-CB 4.22Å; F131-L173 HydrophobicContact CE1-CD2 4.47Å; F131-L173 HydrophobicContact CZ-CB 4.5Å; F131-L173 HydrophobicContact CZ-CD1 4.33Å; F131-L173 HydrophobicContact CZ-CD2 4Å
132	R	98.3	Very high	97.7	Very high	78 Å²	78	55.8 Å²	55.8	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	114	170.8	177.6	-177.6	175	117.5	-6.2	111	I59 V60 M61 E134 V146 D147	I59-R132 HydrophobicContact CG2-CG 4.28Å; V60-R132 CarbonylContact O-C 3.55Å; V60-R132 WeakPolarHBondContact O-CA 3.41Å; M61-R132 HydrophobicContact CG-CB 4.24Å; M61-R132 HydrophobicContact CG-CG 4.03Å; R132-E134 HydrophobicContact CG-CG 4.36Å; R132-E134 IonicContact CZ-OE1 3.24Å; R132-E134 VanDerWaalsContact CZ-OE1 3.24Å; R132-E134 IonicContact NE-OE1 3.63Å; R132-E134 PolarHBondContact NE-OE1 3.29Å; R132-E134 IonicContact NH2-OE1 2.82Å; R132-E134 PolarHBondContact NH2-OE1 3.18Å; R132-E134 IonicContact NH2-OE2 3.86Å; R132-V146 CarbonylContact O-C 3.59Å; R132-V146 VanDerWaalsContact O-CA 3.28Å; R132-V146 WeakPolarHBondContact O-CA 3.26Å; R132-D147 WeakPolarHBondContact CB-OD1 3.48Å; R132-D147 PolarHBondContact N-OD1 2.81Å; R132-D147 PolarHBondContact O-N 3.05Å
133	I	98.6	Very high	97.9	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.2	169.7	-63.5	165.7	0	0	0	109.1	I59 V60 F71 V73 F125 F131 I135 I144 F145 V146	I59-I133 WeakPolarHBondContact CA-O 3.21Å; V60-I133 HydrophobicContact CB-CB 4.38Å; V60-I133 PolarHBondContact N-O 2.86Å; V60-I133 PolarHBondContact O-N 2.94Å; F71-I133 HydrophobicContact CE2-CD1 3.81Å; F71-I133 HydrophobicContact CZ-CD1 4.1Å; V73-I133 HydrophobicContact CG2-CD1 4.07Å; F125-I133 HydrophobicContact CE1-CD1 4.4Å; F125-I133 HydrophobicContact CE1-CG1 4.34Å; F125-I133 HydrophobicContact CZ-CD1 3.91Å; F125-I133 HydrophobicContact CZ-CG1 4.05Å; F131-I133 HydrophobicContact CD2-CD1 4.08Å; F131-I133 HydrophobicContact CD2-CG1 3.9Å; F131-I133 HydrophobicContact CE2-CD1 3.8Å; F131-I133 HydrophobicContact CE2-CG1 4.04Å; I133-I135 HydrophobicContact CG2-CG1 4.08Å; I133-I144 HydrophobicContact CG2-CG2 4.5Å; I133-F145 CarbonylContact C-O 3.45Å; I133-F145 WeakPolarHBondContact CA-O 3.27Å; I133-V146 HydrophobicContact CG1-CG2 4.17Å
134	E	98.6	Very high	98	Very high	20 Å²	20	53.1 Å²	53.1	9%	0.093	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128	166.3	-53.7	-171.9	-145.7	0	0	110.6	K57 I58 I59 R132 H136 I144 F145	K57-E134 IonicContact NZ-OE2 2.89Å; K57-E134 PolarHBondContact NZ-OE2 2.9Å; I58-E134 CarbonylContact O-C 3.08Å; I58-E134 WeakPolarHBondContact O-CA 3.33Å; I59-E134 HydrophobicContact CG1-CG 4.21Å; I59-E134 HydrophobicContact CG2-CG 4.36Å; R132-E134 HydrophobicContact CG-CG 4.36Å; R132-E134 IonicContact CZ-OE1 3.24Å; R132-E134 VanDerWaalsContact CZ-OE1 3.24Å; R132-E134 IonicContact NE-OE1 3.63Å; R132-E134 PolarHBondContact NE-OE1 3.29Å; R132-E134 IonicContact NH2-OE1 2.82Å; R132-E134 PolarHBondContact NH2-OE1 3.18Å; R132-E134 IonicContact NH2-OE2 3.86Å; E134-H136 IonicContact OE2-CE1 3.87Å; E134-H136 IonicContact OE2-NE2 3.81Å; E134-H136 PolarHBondContact OE2-NE2 3.26Å; E134-I144 WeakPolarHBondContact O-CA 3.05Å; E134-F145 HydrophobicContact CB-CB 4.25Å; E134-F145 PolarHBondContact N-O 3.41Å; E134-F145 PolarHBondContact O-N 3.38Å
135	I	98.7	Very high	98.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	104.1	174.9	-55.9	166	0	0	0	107.7	K57 I58 V73 L75 L92 I133 F142 I144	K57-I135 VanDerWaalsContact CA-O 3.23Å; K57-I135 WeakPolarHBondContact CA-O 3.33Å; I58-I135 HydrophobicContact CB-CB 4.5Å; I58-I135 PolarHBondContact N-O 3.44Å; I58-I135 PolarHBondContact O-N 3.37Å; V73-I135 HydrophobicContact CG1-CD1 3.93Å; L75-I135 HydrophobicContact CD1-CG2 4.01Å; L92-I135 HydrophobicContact CD2-CD1 4.23Å; L92-I135 HydrophobicContact CD2-CG2 4.11Å; I133-I135 HydrophobicContact CG2-CG1 4.08Å; I135-F142 HydrophobicContact CG2-CB 3.97Å; I135-F142 HydrophobicContact CG2-CD1 3.81Å; I135-F142 HydrophobicContact CG2-CG 4Å; I135-I144 HydrophobicContact CG1-CG1 4.34Å; I135-I144 HydrophobicContact CG2-CG1 4.5Å
136	H	98.7	Very high	98.2	Very high	54 Å²	54	53.3 Å²	53.3	25%	0.25	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.4	-177.9	-70.6	-150.4	0	0	0	109.6	E134 F142 R143 F145	E134-H136 IonicContact OE2-CE1 3.87Å; E134-H136 IonicContact OE2-NE2 3.81Å; E134-H136 PolarHBondContact OE2-NE2 3.26Å; H136-F142 CarbonylContact O-C 3.55Å; H136-F142 VanDerWaalsContact O-CA 3.27Å; H136-F142 WeakPolarHBondContact O-CA 3.35Å; H136-R143 HydrophobicContact CB-CB 4.38Å; H136-R143 PolarHBondContact N-O 2.79Å; H136-R143 PolarHBondContact O-N 3.43Å; H136-F145 HydrophobicContact CB-CE2 4.31Å; H136-F145 AromaticContact CD2-CD2 3.94Å; H136-F145 AromaticContact CG-CE2 3.89Å; H136-F145 AromaticContact ND1-CE2 3.9Å
137	C	98.7	Very high	98.1	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.1	176	-167.6	0	0	0	0	109.9	M52 R53 P54 G55 K56 F142	M52-C137 HydrophobicContact CE-CB 3.78Å; R53-C137 WeakPolarHBondContact O-CB 3.44Å; P54-C137 CarbonylContact C-O 3.21Å; P54-C137 WeakPolarHBondContact CA-O 3.22Å; G55-C137 PolarHBondContact N-O 2.91Å; K56-C137 VanDerWaalsContact O-CB 3.23Å; K56-C137 WeakPolarHBondContact O-CB 3.3Å; K56-C137 PolarHBondContact O-N 3.35Å; C137-F142 HydrophobicContact CB-CD1 4.22Å; C137-F142 HydrophobicContact CB-CE1 4.05Å
138	E	98.4	Very high	98	Very high	64 Å²	64	51.6 Å²	51.6	30%	0.299	26%	0.26	S	S	.	.			trans	-103.5	176.7	167.1	-67.9	-173.5	167.1	0	0	110.2	Q140 R141 R143 H156	E138-Q140 VanDerWaalsContact C-N 3.27Å; E138-Q140 PolarHBondContact O-N 2.8Å; E138-R141 HydrophobicContact CB-CG 4.29Å; E138-R141 PolarHBondContact N-O 2.84Å; E138-R141 IonicContact OE2-CZ 3.48Å; E138-R141 IonicContact OE2-NE 3.78Å; E138-R141 PolarHBondContact OE2-NE 3.07Å; E138-R141 IonicContact OE2-NH2 2.77Å; E138-R141 PolarHBondContact OE2-NH2 2.8Å; E138-R143 HydrophobicContact CG-CG 4.42Å; E138-R143 WeakPolarHBondContact OE1-CD 3.47Å; E138-R143 IonicContact OE1-CZ 3.15Å; E138-R143 IonicContact OE1-NE 3.74Å; E138-R143 IonicContact OE1-NH1 2.91Å; E138-R143 PolarHBondContact OE1-NH1 2.83Å; E138-R143 WeakPolarHBondContact OE2-CD 3.3Å; E138-H156 PolarHBondContact O-NE2 2.8Å
139	H	97.2	Very high	97.9	Very high	155 Å²	155	52.6 Å²	52.6	72%	0.718	26%	0.261	S	S	*	.	S	Bend	trans	-57.1	-36.4	-179.5	-68.3	93.6	0	0	0	113.7
140	Q	97.9	Very high	97.7	Very high	141 Å²	141	51.8 Å²	51.8	66%	0.659	26%	0.258	S	S	*	.	S	Bend	trans	-116	-13.4	-172.1	-65.4	-177.9	-13.1	0	0	114.4	E138 H156	E138-Q140 VanDerWaalsContact C-N 3.27Å; E138-Q140 PolarHBondContact O-N 2.8Å; Q140-H156 PolarHBondContact O-CD2 3.04Å; Q140-H156 PolarHBondContact O-N 2.9Å
141	R	98.3	Very high	97.5	Very high	47 Å²	47	48.2 Å²	48.2	18%	0.177	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164	-168.8	63.7	-168.3	178	174.3	11.9	112.7	E138 R143 D153 F154 Y155 H156	E138-R141 HydrophobicContact CB-CG 4.29Å; E138-R141 PolarHBondContact N-O 2.84Å; E138-R141 IonicContact OE2-CZ 3.48Å; E138-R141 IonicContact OE2-NE 3.78Å; E138-R141 PolarHBondContact OE2-NE 3.07Å; E138-R141 IonicContact OE2-NH2 2.77Å; E138-R141 PolarHBondContact OE2-NH2 2.8Å; R141-R143 HydrophobicContact CG-CG 4.26Å; R141-D153 IonicContact CZ-OD2 3.74Å; R141-D153 IonicContact NE-OD2 2.9Å; R141-D153 IonicContact NH1-OD2 2.65Å; R141-D153 PolarHBondContact NH1-OD2 3.27Å; R141-D153 IonicContact NH2-OD2 3.55Å; R141-F154 CarbonylContact C-O 3.56Å; R141-F154 VanDerWaalsContact CA-O 3.3Å; R141-F154 WeakPolarHBondContact CA-O 3.4Å; R141-F154 WeakPolarHBondContact CB-O 3.47Å; R141-Y155 HydrophobicContact CB-CD1 4.05Å; R141-Y155 HydrophobicContact CB-CE1 4.4Å; R141-Y155 HydrophobicContact CB-CG 4.28Å; R141-H156 PolarHBondContact N-CD2 2.79Å; R141-H156 PolarHBondContact N-NE2 2.9Å; R141-H156 VanDerWaalsContact N-NE2 3.19Å; R141-H156 PolarHBondContact O-CE1 3.06Å; R141-H156 VanDerWaalsContact O-CE1 3.29Å; R141-H156 PolarHBondContact O-NE2 3.07Å
142	F	98.7	Very high	97.4	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	139.6	156.8	-61.6	-62.7	0	0	0	109.8	M52 L75 A91 L92 I135 H136 C137 I144 D153 F154 H156 I164	M52-F142 HydrophobicContact CE-CE1 3.92Å; L75-F142 HydrophobicContact CD1-CD1 4.46Å; L75-F142 HydrophobicContact CD1-CE1 3.99Å; L75-F142 HydrophobicContact CD1-CE2 4.39Å; L75-F142 HydrophobicContact CD1-CZ 3.96Å; A91-F142 HydrophobicContact CB-CE2 4.38Å; L92-F142 HydrophobicContact CB-CD2 4.22Å; L92-F142 HydrophobicContact CB-CE2 4.27Å; L92-F142 HydrophobicContact CD2-CD2 4.28Å; I135-F142 HydrophobicContact CG2-CB 3.97Å; I135-F142 HydrophobicContact CG2-CD1 3.81Å; I135-F142 HydrophobicContact CG2-CG 4Å; H136-F142 CarbonylContact O-C 3.55Å; H136-F142 VanDerWaalsContact O-CA 3.27Å; H136-F142 WeakPolarHBondContact O-CA 3.35Å; C137-F142 HydrophobicContact CB-CD1 4.22Å; C137-F142 HydrophobicContact CB-CE1 4.05Å; F142-I144 HydrophobicContact CB-CD1 3.84Å; F142-D153 CarbonylContact O-C 3.59Å; F142-D153 WeakPolarHBondContact O-CA 3.37Å; F142-F154 HydrophobicContact CD2-CD1 4.3Å; F142-F154 PolarHBondContact N-O 3.14Å; F142-F154 PolarHBondContact O-N 2.81Å; F142-H156 AromaticContact CD1-CE1 3.77Å; F142-H156 AromaticContact CD2-CE1 3.87Å; F142-H156 AromaticContact CD2-ND1 3.72Å; F142-H156 AromaticContact CE1-CE1 3.61Å; F142-H156 AromaticContact CE2-CE1 3.73Å; F142-H156 AromaticContact CE2-ND1 3.48Å; F142-H156 WeakPolarHBondContact CE2-ND1 3.4Å; F142-H156 AromaticContact CG-CE1 3.88Å; F142-H156 AromaticContact CZ-CE1 3.59Å; F142-H156 AromaticContact CZ-ND1 3.73Å; F142-I164 HydrophobicContact CZ-CD1 3.93Å
143	R	98.2	Very high	97.4	Very high	63 Å²	63	46.7 Å²	46.7	24%	0.238	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.4	166.8	-57.4	-176.2	78.2	173	2.2	108.1	H136 E138 R141 F145 Q150 D153	H136-R143 HydrophobicContact CB-CB 4.38Å; H136-R143 PolarHBondContact N-O 2.79Å; H136-R143 PolarHBondContact O-N 3.43Å; E138-R143 HydrophobicContact CG-CG 4.42Å; E138-R143 WeakPolarHBondContact OE1-CD 3.47Å; E138-R143 IonicContact OE1-CZ 3.15Å; E138-R143 IonicContact OE1-NE 3.74Å; E138-R143 IonicContact OE1-NH1 2.91Å; E138-R143 PolarHBondContact OE1-NH1 2.83Å; E138-R143 WeakPolarHBondContact OE2-CD 3.3Å; R141-R143 HydrophobicContact CG-CG 4.26Å; R143-F145 HydrophobicContact CB-CE2 3.71Å; R143-F145 HydrophobicContact CB-CZ 4.34Å; R143-Q150 VanDerWaalsContact NE-NE2 3.19Å; R143-D153 WeakPolarHBondContact CG-OD1 3.29Å; R143-D153 IonicContact NE-OD1 3.01Å
144	I	97.9	Very high	97.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.1	-173.1	-63.9	85.1	0	0	0	108.5	L92 L94 I133 E134 I135 F142 L151 F152 F154	L92-I144 HydrophobicContact CD2-CD1 4.41Å; L94-I144 HydrophobicContact CD2-CG2 4.16Å; I133-I144 HydrophobicContact CG2-CG2 4.5Å; E134-I144 WeakPolarHBondContact O-CA 3.05Å; I135-I144 HydrophobicContact CG1-CG1 4.34Å; I135-I144 HydrophobicContact CG2-CG1 4.5Å; F142-I144 HydrophobicContact CB-CD1 3.84Å; I144-L151 PolarHBondContact O-N 2.52Å; I144-F152 HydrophobicContact CB-CD2 3.75Å; I144-F152 HydrophobicContact CB-CE2 3.42Å; I144-F152 VanDerWaalsContact CB-CE2 3.42Å; I144-F152 HydrophobicContact CB-CZ 4.29Å; I144-F152 HydrophobicContact CD1-CD2 3.9Å; I144-F152 HydrophobicContact CD1-CE2 3.95Å; I144-F152 HydrophobicContact CG1-CD2 4.14Å; I144-F152 HydrophobicContact CG1-CE2 3.76Å; I144-F152 HydrophobicContact CG2-CD2 4.36Å; I144-F152 HydrophobicContact CG2-CE2 3.57Å; I144-F152 HydrophobicContact CG2-CZ 3.98Å; I144-F152 PolarHBondContact N-O 2.79Å; I144-F154 HydrophobicContact CD1-CB 4.15Å
145	F	97.8	Very high	97.3	Very high	37 Å²	37	51.1 Å²	51.1	16%	0.162	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.8	177.8	-58.7	-105.9	0	0	0	109.4	I133 E134 H136 R143 H149 Q150	I133-F145 CarbonylContact C-O 3.45Å; I133-F145 WeakPolarHBondContact CA-O 3.27Å; E134-F145 HydrophobicContact CB-CB 4.25Å; E134-F145 PolarHBondContact N-O 3.41Å; E134-F145 PolarHBondContact O-N 3.38Å; H136-F145 HydrophobicContact CB-CE2 4.31Å; H136-F145 AromaticContact CD2-CD2 3.94Å; H136-F145 AromaticContact CG-CE2 3.89Å; H136-F145 AromaticContact ND1-CE2 3.9Å; R143-F145 HydrophobicContact CB-CE2 3.71Å; R143-F145 HydrophobicContact CB-CZ 4.34Å; F145-H149 CarbonylContact C-O 3.53Å; F145-H149 WeakPolarHBondContact CA-O 3.37Å; F145-Q150 VanDerWaalsContact CD1-CA 3.49Å; F145-Q150 HydrophobicContact CD1-CB 3.74Å; F145-Q150 HydrophobicContact CD1-CG 4.34Å; F145-Q150 HydrophobicContact CE1-CB 3.5Å; F145-Q150 HydrophobicContact CE1-CG 3.96Å; F145-Q150 HydrophobicContact CZ-CB 4.11Å; F145-Q150 HydrophobicContact CZ-CG 4.04Å
146	V	97.5	Very high	97.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.4	167.6	-175.3	0	0	0	0	108.6	F103 P124 F125 R132 I133 G148 H149 L151	F103-V146 HydrophobicContact CZ-CG2 4.2Å; P124-V146 HydrophobicContact CB-CB 4.24Å; P124-V146 HydrophobicContact CB-CG1 3.74Å; P124-V146 HydrophobicContact CG-CB 3.84Å; P124-V146 HydrophobicContact CG-CG1 3.5Å; P124-V146 HydrophobicContact CG-CG2 4.1Å; F125-V146 HydrophobicContact CE1-CG1 3.83Å; F125-V146 HydrophobicContact CZ-CG1 4.14Å; F125-V146 HydrophobicContact CZ-CG2 4.21Å; R132-V146 CarbonylContact O-C 3.59Å; R132-V146 VanDerWaalsContact O-CA 3.28Å; R132-V146 WeakPolarHBondContact O-CA 3.26Å; I133-V146 HydrophobicContact CG1-CG2 4.17Å; V146-G148 PolarHBondContact O-N 3.21Å; V146-G148 VanDerWaalsContact O-N 3.13Å; V146-H149 PolarHBondContact N-O 2.91Å; V146-H149 PolarHBondContact O-N 3.19Å; V146-L151 HydrophobicContact CB-CD1 3.95Å; V146-L151 HydrophobicContact CB-CG 4.4Å; V146-L151 HydrophobicContact CG2-CD1 3.44Å; V146-L151 VanDerWaalsContact CG2-CD1 3.44Å; V146-L151 HydrophobicContact CG2-CG 4.21Å
147	D	96.2	Very high	97.2	Very high	76 Å²	76	52.3 Å²	52.3	41%	0.406	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	38.2	-178	-57.2	-37.9	0	0	0	113.4	R132 H149	R132-D147 WeakPolarHBondContact CB-OD1 3.48Å; R132-D147 PolarHBondContact N-OD1 2.81Å; R132-D147 PolarHBondContact O-N 3.05Å; D147-H149 VanDerWaalsContact C-N 3.32Å; D147-H149 PolarHBondContact O-CD2 2.89Å; D147-H149 PolarHBondContact O-N 3.49Å
148	G	95.4	Very high	97.1	Very high	53 Å²	53	52.6 Å²	52.6	55%	0.546	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-7.8	178.5	0	0	0	0	0	115.2	V146	V146-G148 PolarHBondContact O-N 3.21Å; V146-G148 VanDerWaalsContact O-N 3.13Å
149	H	95.6	Very high	96.9	Very high	119 Å²	119	57.6 Å²	57.6	55%	0.551	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.5	179	-63.1	-82.5	0	0	0	111.3	Y122 F145 V146 D147 L151	Y122-H149 VanDerWaalsContact OH-CB 3.24Å; Y122-H149 WeakPolarHBondContact OH-CB 3.17Å; F145-H149 CarbonylContact C-O 3.53Å; F145-H149 WeakPolarHBondContact CA-O 3.37Å; V146-H149 PolarHBondContact N-O 2.91Å; V146-H149 PolarHBondContact O-N 3.19Å; D147-H149 VanDerWaalsContact C-N 3.32Å; D147-H149 PolarHBondContact O-CD2 2.89Å; D147-H149 PolarHBondContact O-N 3.49Å; H149-L151 PolarHBondContact O-N 2.72Å
150	Q	95.4	Very high	96.8	Very high	80 Å²	80	53.4 Å²	53.4	37%	0.374	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	124.3	174.8	-167.7	-175.7	-23.5	0	0	109.2	R143 F145 D153	R143-Q150 VanDerWaalsContact NE-NE2 3.19Å; F145-Q150 VanDerWaalsContact CD1-CA 3.49Å; F145-Q150 HydrophobicContact CD1-CB 3.74Å; F145-Q150 HydrophobicContact CD1-CG 4.34Å; F145-Q150 HydrophobicContact CE1-CB 3.5Å; F145-Q150 HydrophobicContact CE1-CG 3.96Å; F145-Q150 HydrophobicContact CZ-CB 4.11Å; F145-Q150 HydrophobicContact CZ-CG 4.04Å; Q150-D153 PolarHBondContact NE2-OD1 3.44Å
151	L	94.2	Very high	96.8	Very high	15 Å²	15	47.5 Å²	47.5	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-50.4	176.1	-69.6	-174	0	0	0	111.9	F103 Y122 P124 I144 V146 H149	F103-L151 HydrophobicContact CD2-CD1 4.27Å; F103-L151 HydrophobicContact CE2-CD1 3.48Å; F103-L151 VanDerWaalsContact CE2-CD1 3.48Å; F103-L151 HydrophobicContact CZ-CD1 3.71Å; Y122-L151 HydrophobicContact CD1-CD2 3.83Å; Y122-L151 HydrophobicContact CE1-CD2 3.21Å; Y122-L151 HydrophobicContact CE2-CD2 4.14Å; Y122-L151 HydrophobicContact CG-CD2 4.48Å; P124-L151 HydrophobicContact CG-CD1 4.12Å; I144-L151 PolarHBondContact O-N 2.52Å; V146-L151 HydrophobicContact CB-CD1 3.95Å; V146-L151 HydrophobicContact CB-CG 4.4Å; V146-L151 HydrophobicContact CG2-CD1 3.44Å; V146-L151 VanDerWaalsContact CG2-CD1 3.44Å; V146-L151 HydrophobicContact CG2-CG 4.21Å; H149-L151 PolarHBondContact O-N 2.72Å
152	F	95.7	Very high	96.7	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.057	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	164.2	-175.1	41.5	-108.4	0	0	0	112.8	L94 F103 R105 T120 I144	L94-F152 HydrophobicContact CD1-CE2 3.85Å; L94-F152 HydrophobicContact CD1-CZ 3.68Å; F103-F152 HydrophobicContact CB-CE1 3.72Å; F103-F152 HydrophobicContact CB-CZ 3.87Å; F103-F152 HydrophobicContact CD1-CE1 4.34Å; F103-F152 AromaticContact CD1-CZ 3.97Å; F103-F152 HydrophobicContact CD1-CZ 3.97Å; F103-F152 AromaticContact CD2-CE1 3.75Å; F103-F152 HydrophobicContact CD2-CE1 3.75Å; F103-F152 HydrophobicContact CD2-CZ 4.2Å; F103-F152 HydrophobicContact CE1-CZ 4.42Å; F103-F152 HydrophobicContact CE2-CE1 4.32Å; F103-F152 AromaticContact CG-CE1 3.7Å; F103-F152 HydrophobicContact CG-CE1 3.7Å; F103-F152 AromaticContact CG-CZ 3.78Å; F103-F152 HydrophobicContact CG-CZ 3.78Å; R105-F152 VanDerWaalsContact CD-CD2 3.48Å; R105-F152 VanDerWaalsContact CD-CE2 3.47Å; R105-F152 HydrophobicContact CG-CE2 4.21Å; T120-F152 HydrophobicContact CG2-CD1 4.48Å; T120-F152 HydrophobicContact CG2-CE1 4.29Å; I144-F152 HydrophobicContact CB-CD2 3.75Å; I144-F152 HydrophobicContact CB-CE2 3.42Å; I144-F152 VanDerWaalsContact CB-CE2 3.42Å; I144-F152 HydrophobicContact CB-CZ 4.29Å; I144-F152 HydrophobicContact CD1-CD2 3.9Å; I144-F152 HydrophobicContact CD1-CE2 3.95Å; I144-F152 HydrophobicContact CG1-CD2 4.14Å; I144-F152 HydrophobicContact CG1-CE2 3.76Å; I144-F152 HydrophobicContact CG2-CD2 4.36Å; I144-F152 HydrophobicContact CG2-CE2 3.57Å; I144-F152 HydrophobicContact CG2-CZ 3.98Å; I144-F152 PolarHBondContact N-O 2.79Å
153	D	96.9	Very high	96.5	Very high	38 Å²	38	51.3 Å²	51.3	20%	0.203	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	152.2	169.7	-62.4	-21.1	0	0	0	109.7	R105 R141 F142 R143 Q150	R105-D153 PolarHBondContact NH1-O 3.36Å; R141-D153 IonicContact CZ-OD2 3.74Å; R141-D153 IonicContact NE-OD2 2.9Å; R141-D153 IonicContact NH1-OD2 2.65Å; R141-D153 PolarHBondContact NH1-OD2 3.27Å; R141-D153 IonicContact NH2-OD2 3.55Å; F142-D153 CarbonylContact O-C 3.59Å; F142-D153 WeakPolarHBondContact O-CA 3.37Å; R143-D153 WeakPolarHBondContact CG-OD1 3.29Å; R143-D153 IonicContact NE-OD1 3.01Å; Q150-D153 PolarHBondContact NE2-OD1 3.44Å
154	F	98	Very high	96.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	112.3	169.9	-174	-100.6	0	0	0	109.3	A91 L92 R105 A107 E117 R141 F142 I144 K157	A91-F154 WeakPolarHBondContact O-CE1 3.28Å; L92-F154 HydrophobicContact CB-CD1 4.47Å; L92-F154 HydrophobicContact CD1-CB 4.35Å; L92-F154 HydrophobicContact CD1-CD1 3.77Å; L92-F154 HydrophobicContact CD1-CD2 4.41Å; L92-F154 HydrophobicContact CD1-CE1 4.11Å; L92-F154 HydrophobicContact CD1-CG 3.91Å; R105-F154 HydrophobicContact CB-CD2 3.69Å; R105-F154 HydrophobicContact CB-CE2 3.82Å; R105-F154 HydrophobicContact CG-CD2 4.46Å; A107-F154 HydrophobicContact CB-CE1 4.15Å; A107-F154 HydrophobicContact CB-CZ 3.99Å; E117-F154 HydrophobicContact CG-CE2 4.3Å; R141-F154 CarbonylContact C-O 3.56Å; R141-F154 VanDerWaalsContact CA-O 3.3Å; R141-F154 WeakPolarHBondContact CA-O 3.4Å; R141-F154 WeakPolarHBondContact CB-O 3.47Å; F142-F154 HydrophobicContact CD2-CD1 4.3Å; F142-F154 PolarHBondContact N-O 3.14Å; F142-F154 PolarHBondContact O-N 2.81Å; I144-F154 HydrophobicContact CD1-CB 4.15Å; F154-K157 HydrophobicContact CE1-CG 4.13Å; F154-K157 HydrophobicContact CZ-CG 4.06Å
155	Y	98.1	Very high	96.4	Very high	113 Å²	113	49.6 Å²	49.6	44%	0.443	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.3	-174.6	-73.8	-91.9	0	0	0	111.9	R141 K157	R141-Y155 HydrophobicContact CB-CD1 4.05Å; R141-Y155 HydrophobicContact CB-CE1 4.4Å; R141-Y155 HydrophobicContact CB-CG 4.28Å; Y155-K157 WeakPolarHBondContact O-CD 3.45Å; Y155-K157 WeakPolarHBondContact O-CE 3.39Å; Y155-K157 PolarHBondContact O-N 2.81Å
156	H	97.9	Very high	96.4	Very high	9 Å²	9	47.8 Å²	47.8	4%	0.042	26%	0.255	C	S	.	.			trans	-58.8	113.4	-174.8	-66.7	-34.1	0	0	0	111.7	E138 Q140 R141 F142 K159	E138-H156 PolarHBondContact O-NE2 2.8Å; Q140-H156 PolarHBondContact O-CD2 3.04Å; Q140-H156 PolarHBondContact O-N 2.9Å; R141-H156 PolarHBondContact N-CD2 2.79Å; R141-H156 PolarHBondContact N-NE2 2.9Å; R141-H156 VanDerWaalsContact N-NE2 3.19Å; R141-H156 PolarHBondContact O-CE1 3.06Å; R141-H156 VanDerWaalsContact O-CE1 3.29Å; R141-H156 PolarHBondContact O-NE2 3.07Å; F142-H156 AromaticContact CD1-CE1 3.77Å; F142-H156 AromaticContact CD2-CE1 3.87Å; F142-H156 AromaticContact CD2-ND1 3.72Å; F142-H156 AromaticContact CE1-CE1 3.61Å; F142-H156 AromaticContact CE2-CE1 3.73Å; F142-H156 AromaticContact CE2-ND1 3.48Å; F142-H156 WeakPolarHBondContact CE2-ND1 3.4Å; F142-H156 AromaticContact CG-CE1 3.88Å; F142-H156 AromaticContact CZ-CE1 3.59Å; F142-H156 AromaticContact CZ-ND1 3.73Å; H156-K159 PolarHBondContact O-NZ 3.3Å
157	K	97.6	Very high	96.4	Very high	71 Å²	71	47.9 Å²	47.9	31%	0.309	26%	0.255	S	S	.	.	S	Bend	trans	-87.7	-42.8	170.8	-44.7	-62.9	179.5	174.1	0	110.3	A107 V109 T114 E117 F154 Y155	A107-K157 HydrophobicContact CB-CB 3.78Å; A107-K157 HydrophobicContact CB-CG 3.71Å; V109-K157 HydrophobicContact CG2-CB 3.93Å; T114-K157 HydrophobicContact CG2-CB 4.33Å; T114-K157 HydrophobicContact CG2-CD 4.49Å; T114-K157 HydrophobicContact CG2-CG 4.11Å; E117-K157 IonicContact OE1-NZ 2.9Å; E117-K157 PolarHBondContact OE1-NZ 2.83Å; F154-K157 HydrophobicContact CE1-CG 4.13Å; F154-K157 HydrophobicContact CZ-CG 4.06Å; Y155-K157 WeakPolarHBondContact O-CD 3.45Å; Y155-K157 WeakPolarHBondContact O-CE 3.39Å; Y155-K157 PolarHBondContact O-N 2.81Å
158	V	96.3	Very high	96.4	Very high	9 Å²	9	46.9 Å²	46.9	6%	0.055	25%	0.246	C	C	.	.	S	Bend	trans	-78.6	121.3	165.9	177	0	0	0	0	109.2	D89 A91 V109 I164	D89-V158 HydrophobicContact CB-CG2 4.19Å; A91-V158 HydrophobicContact CB-CB 3.95Å; A91-V158 HydrophobicContact CB-CG2 3.96Å; V109-V158 HydrophobicContact CG2-CG2 3.94Å; V158-I164 HydrophobicContact CG1-CD1 4.42Å; V158-I164 HydrophobicContact CG1-CG1 4.23Å
159	K	94.1	Very high	96.5	Very high	169 Å²	169	44.3 Å²	44.3	74%	0.735	22%	0.22	S	C	*	.			trans	-86.7	-30.6	-175.1	-58.3	-54.6	-176.3	-173.7	0	114	H156 L161	H156-K159 PolarHBondContact O-NZ 3.3Å; K159-L161 PolarHBondContact O-N 3.24Å; K159-L161 VanDerWaalsContact O-N 3.07Å
160	S	95.2	Very high	96.6	Very high	66 Å²	66	43.3 Å²	43.3	46%	0.462	22%	0.215	S	C	.	.			trans	-78.8	90.2	176.8	-172.7	0	0	0	0	109.9	S163	S160-S163 WeakPolarHBondContact CB-OG 3.21Å; S160-S163 PolarHBondContact O-N 3.05Å; S160-S163 PolarHBondContact O-OG 3.03Å
161	L	97.4	Very high	96.7	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.089	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-61.1	-39.3	178.4	-57	177.1	0	0	0	113.5	M52 P54 K159 S163 I164	M52-L161 HydrophobicContact CB-CB 4.48Å; M52-L161 PolarHBondContact N-O 3.17Å; M52-L161 CarbonylContact O-C 3.4Å; M52-L161 VanDerWaalsContact O-CB 3.32Å; M52-L161 WeakPolarHBondContact O-CB 3.35Å; M52-L161 VanDerWaalsContact O-O 3.12Å; P54-L161 HydrophobicContact CG-CD1 4.24Å; K159-L161 PolarHBondContact O-N 3.24Å; K159-L161 VanDerWaalsContact O-N 3.07Å; L161-S163 PolarHBondContact O-N 3.24Å; L161-I164 HydrophobicContact CD2-CD1 3.88Å; L161-I164 WeakPolarHBondContact O-CB 3.33Å; L161-I164 PolarHBondContact O-N 3.17Å
162	P	96.5	Very high	96.9	Very high	85 Å²	85	42.6 Å²	42.6	55%	0.552	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-64.5	-22.3	178.2	-24.7	36.4	0	0	0	114.3	G51 I164	G51-P162 WeakPolarHBondContact CA-O 3.4Å; P162-I164 VanDerWaalsContact C-N 3.26Å; P162-I164 PolarHBondContact O-N 2.85Å
163	S	95.4	Very high	97	Very high	43 Å²	43	42.2 Å²	42.2	30%	0.301	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-76.1	-16.2	175.2	67.4	0	0	0	0	112.9	C77 S160 L161 D165	C77-S163 WeakPolarHBondContact CA-O 3.42Å; C77-S163 WeakPolarHBondContact CB-O 3.44Å; S160-S163 WeakPolarHBondContact CB-OG 3.21Å; S160-S163 PolarHBondContact O-N 3.05Å; S160-S163 PolarHBondContact O-OG 3.03Å; L161-S163 PolarHBondContact O-N 3.24Å; S163-D165 VanDerWaalsContact C-N 3.35Å; S163-D165 PolarHBondContact O-N 3.33Å
164	I	97.4	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	89	174.4	-49.3	170.6	0	0	0	107.6	G51 M52 L75 A91 F142 V158 L161 P162	G51-I164 CarbonylContact C-O 3.59Å; G51-I164 WeakPolarHBondContact CA-O 3.36Å; M52-I164 HydrophobicContact CB-CB 4.13Å; M52-I164 HydrophobicContact CB-CG2 4.49Å; M52-I164 HydrophobicContact CG-CB 3.96Å; M52-I164 HydrophobicContact CG-CG2 3.82Å; M52-I164 PolarHBondContact N-O 2.81Å; L75-I164 HydrophobicContact CB-CG2 3.67Å; A91-I164 HydrophobicContact CB-CB 4.49Å; A91-I164 HydrophobicContact CB-CD1 3.35Å; A91-I164 HydrophobicContact CB-CG1 3.67Å; A91-I164 HydrophobicContact CB-CG2 4.02Å; F142-I164 HydrophobicContact CZ-CD1 3.93Å; V158-I164 HydrophobicContact CG1-CD1 4.42Å; V158-I164 HydrophobicContact CG1-CG1 4.23Å; L161-I164 HydrophobicContact CD2-CD1 3.88Å; L161-I164 WeakPolarHBondContact O-CB 3.33Å; L161-I164 PolarHBondContact O-N 3.17Å; P162-I164 VanDerWaalsContact C-N 3.26Å; P162-I164 PolarHBondContact O-N 2.85Å
165	D	96.4	Very high	97	Very high	27 Å²	27	46.8 Å²	46.8	14%	0.144	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	2.3	-163.7	71.3	3.8	0	0	0	113.8	R47 I48 T76 G78 S163	R47-D165 CarbonylContact C-O 3.54Å; I48-D165 PolarHBondContact N-O 2.96Å; T76-D165 PolarHBondContact O-N 2.84Å; G78-D165 PolarHBondContact N-OD1 2.81Å; S163-D165 VanDerWaalsContact C-N 3.35Å; S163-D165 PolarHBondContact O-N 3.33Å
166	T	96.3	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	132.3	-173	-67.5	0	0	0	0	110.5	G46 L75 T76 R79 R168	G46-T166 WeakPolarHBondContact O-CA 2.93Å; L75-T166 WeakPolarHBondContact CA-O 3.18Å; T76-T166 PolarHBondContact N-O 3.43Å; T76-T166 PolarHBondContact O-N 2.86Å; T76-T166 WeakPolarHBondContact OG1-CB 3.35Å; T76-T166 WeakPolarHBondContact OG1-CG2 3.43Å; R79-T166 PolarHBondContact NE-OG1 2.78Å; R79-T166 VanDerWaalsContact NE-OG1 3.13Å; R79-T166 PolarHBondContact NH2-OG1 3.36Å; T166-R168 HydrophobicContact CG2-CG 3.82Å
167	V	97.4	Very high	96.7	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.2	165.8	54.8	0	0	0	0	108.6	F44 S45 G46 I48 I58 V73 S74 L75 I169 L178	F44-V167 HydrophobicContact CE1-CG1 4.08Å; S45-V167 CarbonylContact C-O 3.58Å; S45-V167 WeakPolarHBondContact CA-O 3.42Å; G46-V167 PolarHBondContact N-O 3.48Å; G46-V167 WeakPolarHBondContact O-CG1 3.27Å; G46-V167 PolarHBondContact O-N 2.9Å; I48-V167 HydrophobicContact CD1-CB 4.33Å; I48-V167 HydrophobicContact CG1-CB 4.49Å; I48-V167 HydrophobicContact CG1-CG1 4.39Å; I58-V167 HydrophobicContact CG2-CG2 4.37Å; V73-V167 HydrophobicContact CG1-CG2 4.41Å; S74-V167 CarbonylContact O-C 3.57Å; S74-V167 WeakPolarHBondContact O-CA 3.43Å; L75-V167 HydrophobicContact CD2-CB 4.11Å; L75-V167 HydrophobicContact CD2-CG2 4.25Å; V167-I169 HydrophobicContact CG2-CD1 4.41Å; V167-I169 HydrophobicContact CG2-CG1 4.19Å; V167-L178 HydrophobicContact CG1-CD2 4.05Å
168	R	96.8	Very high	96.6	Very high	54 Å²	54	49.9 Å²	49.9	20%	0.204	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.1	174.9	-57.7	-174.6	-179.9	-113.1	5.7	109.3	F44 S74 T76 E82 T166	F44-R168 CarbonylContact O-C 3.53Å; F44-R168 VanDerWaalsContact O-CA 3.26Å; F44-R168 WeakPolarHBondContact O-CA 3.4Å; S74-R168 PolarHBondContact N-O 2.87Å; S74-R168 PolarHBondContact O-N 2.88Å; T76-R168 HydrophobicContact CG2-CG 4.24Å; T76-R168 PolarHBondContact OG1-NE 2.83Å; E82-R168 IonicContact OE1-NH2 3.94Å; T166-R168 HydrophobicContact CG2-CG 3.82Å
169	I	98.3	Very high	96.3	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.5	179.7	-56.9	166.5	0	0	0	108.3	V42 P43 F44 V60 D72 V73 V167 L173 I175 L178	V42-I169 HydrophobicContact CG2-CG2 4.4Å; P43-I169 CarbonylContact C-O 3.52Å; P43-I169 WeakPolarHBondContact CA-O 3.26Å; F44-I169 HydrophobicContact CB-CB 4.24Å; F44-I169 HydrophobicContact CD1-CD1 4Å; F44-I169 HydrophobicContact CD1-CG1 4.31Å; F44-I169 PolarHBondContact N-O 3.16Å; F44-I169 PolarHBondContact O-N 2.9Å; V60-I169 HydrophobicContact CB-CD1 4.49Å; V60-I169 HydrophobicContact CG1-CD1 3.69Å; V60-I169 HydrophobicContact CG2-CD1 3.94Å; D72-I169 VanDerWaalsContact O-CA 3.3Å; D72-I169 WeakPolarHBondContact O-CA 3.38Å; V73-I169 HydrophobicContact CG1-CG1 4.38Å; V73-I169 HydrophobicContact CG2-CG1 4.39Å; V167-I169 HydrophobicContact CG2-CD1 4.41Å; V167-I169 HydrophobicContact CG2-CG1 4.19Å; I169-L173 HydrophobicContact CG2-CD1 3.99Å; I169-L173 HydrophobicContact CG2-CD2 3.89Å; I169-L173 HydrophobicContact CG2-CG 4.31Å; I169-I175 HydrophobicContact CB-CD1 3.98Å; I169-I175 HydrophobicContact CD1-CD1 3.59Å; I169-I175 HydrophobicContact CD1-CG1 4.17Å; I169-I175 HydrophobicContact CG1-CD1 4.37Å; I169-I175 HydrophobicContact CG2-CD1 4.04Å; I169-I175 HydrophobicContact CG2-CG1 4.29Å; I169-L178 HydrophobicContact CD1-CD1 3.87Å
170	Q	97.9	Very high	96.4	Very high	98 Å²	98	47.2 Å²	47.2	46%	0.458	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.2	-175.1	-57.4	-172.2	-66.3	0	0	110.5	P43 F71 D72	P43-Q170 HydrophobicContact CB-CG 3.96Å; F71-Q170 CarbonylContact C-O 3.58Å; F71-Q170 WeakPolarHBondContact CA-O 3.28Å; F71-Q170 WeakPolarHBondContact CB-O 3.47Å; D72-Q170 HydrophobicContact CB-CB 4.5Å; D72-Q170 PolarHBondContact N-O 3.13Å; D72-Q170 PolarHBondContact O-N 2.79Å
171	G	97.9	Very high	96.4	Very high	35 Å²	35	46.2 Å²	46.2	36%	0.361	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.1	-156.3	176.9	0	0	0	0	0	113.6	V42 S70 L173	V42-G171 WeakPolarHBondContact CG1-O 3.47Å; S70-G171 WeakPolarHBondContact O-CA 3.34Å; G171-L173 PolarHBondContact O-N 2.71Å
172	D	98.1	Very high	96.4	Very high	44 Å²	44	47.8 Å²	47.8	24%	0.235	28%	0.279	C	S	.	.	S	Bend	trans	-89.8	70.6	-159.5	-47.2	-42.1	0	0	0	112.5	D65 P68 H69 S70	D65-D172 HydrophobicContact CB-CB 4.2Å; D65-D172 VanDerWaalsContact CG-C 3.45Å; D65-D172 PolarHBondContact N-O 3.29Å; D65-D172 VanDerWaalsContact OD2-CA 3.26Å; D65-D172 WeakPolarHBondContact OD2-CA 3.45Å; P68-D172 HydrophobicContact CB-CB 3.93Å; H69-D172 WeakPolarHBondContact CA-OD2 3.33Å; H69-D172 WeakPolarHBondContact CB-OD2 3.27Å; H69-D172 PolarHBondContact N-OD2 3.17Å; S70-D172 PolarHBondContact N-OD2 3.25Å; S70-D172 PolarHBondContact O-N 3.25Å; S70-D172 VanDerWaalsContact O-OD2 3.14Å
173	L	97.8	Very high	96.4	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	163.3	174.4	71.9	90	0	0	0	112.6	V42 I63 D65 F71 F131 I169 G171 I175	V42-L173 HydrophobicContact CG2-CD1 3.82Å; V42-L173 HydrophobicContact CG2-CG 4.38Å; V42-L173 WeakPolarHBondContact CG2-O 3.21Å; I63-L173 WeakPolarHBondContact O-CA 3.39Å; D65-L173 PolarHBondContact OD2-N 2.74Å; F71-L173 HydrophobicContact CB-CD2 3.62Å; F71-L173 HydrophobicContact CB-CG 4.41Å; F71-L173 HydrophobicContact CD1-CD2 3.97Å; F71-L173 HydrophobicContact CD2-CD2 3.51Å; F71-L173 HydrophobicContact CE1-CD2 4.49Å; F71-L173 HydrophobicContact CE2-CD2 4.09Å; F71-L173 HydrophobicContact CG-CD2 3.45Å; F71-L173 VanDerWaalsContact CG-CD2 3.45Å; F131-L173 HydrophobicContact CE1-CB 4.22Å; F131-L173 HydrophobicContact CE1-CD2 4.47Å; F131-L173 HydrophobicContact CZ-CB 4.5Å; F131-L173 HydrophobicContact CZ-CD1 4.33Å; F131-L173 HydrophobicContact CZ-CD2 4Å; I169-L173 HydrophobicContact CG2-CD1 3.99Å; I169-L173 HydrophobicContact CG2-CD2 3.89Å; I169-L173 HydrophobicContact CG2-CG 4.31Å; G171-L173 PolarHBondContact O-N 2.71Å; L173-I175 HydrophobicContact CD1-CG1 3.56Å
174	Q	97.1	Very high	96.4	Very high	120 Å²	120	45.8 Å²	45.8	56%	0.561	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.7	166.4	-60.2	-177.4	-13	0	0	110.8	G62 I63	G62-Q174 CarbonylContact C-O 3.54Å; G62-Q174 WeakPolarHBondContact CA-O 3.34Å; I63-Q174 PolarHBondContact N-O 2.89Å; I63-Q174 PolarHBondContact O-N 3.4Å
175	I	97.3	Very high	96.4	Very high	15 Å²	15	48.9 Å²	48.9	8%	0.077	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	123.8	176.2	-53.6	164.1	0	0	0	108.7	L40 V42 F44 I169 L173	L40-I175 HydrophobicContact CB-CB 4.1Å; L40-I175 HydrophobicContact CB-CG2 4.19Å; L40-I175 HydrophobicContact CD1-CG2 4.35Å; L40-I175 HydrophobicContact CD2-CG2 4.15Å; L40-I175 HydrophobicContact CG-CG2 4.46Å; L40-I175 WeakPolarHBondContact O-CB 3.32Å; V42-I175 HydrophobicContact CG2-CD1 3.76Å; V42-I175 HydrophobicContact CG2-CG1 3.78Å; F44-I175 HydrophobicContact CB-CD1 3.43Å; F44-I175 VanDerWaalsContact CB-CD1 3.43Å; F44-I175 HydrophobicContact CD1-CD1 4.11Å; F44-I175 HydrophobicContact CD2-CD1 4.39Å; F44-I175 HydrophobicContact CG-CD1 3.72Å; I169-I175 HydrophobicContact CB-CD1 3.98Å; I169-I175 HydrophobicContact CD1-CD1 3.59Å; I169-I175 HydrophobicContact CD1-CG1 4.17Å; I169-I175 HydrophobicContact CG1-CD1 4.37Å; I169-I175 HydrophobicContact CG2-CD1 4.04Å; I169-I175 HydrophobicContact CG2-CG1 4.29Å; L173-I175 HydrophobicContact CD1-CG1 3.56Å
176	T	95.9	Very high	96.4	Very high	78 Å²	78	50.4 Å²	50.4	48%	0.479	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-28.8	176.5	58.1	0	0	0	0	112.2	M61 G62 I63	M61-T176 VanDerWaalsContact C-OG1 3.29Å; M61-T176 PolarHBondContact O-N 2.86Å; M61-T176 PolarHBondContact O-OG1 3Å; G62-T176 PolarHBondContact N-OG1 3.36Å; I63-T176 HydrophobicContact CD1-CG2 4.21Å; I63-T176 HydrophobicContact CG1-CG2 4.08Å
177	K	94.7	Very high	96.4	Very high	126 Å²	126	54.3 Å²	54.3	55%	0.548	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	142	176.6	-173.4	175.3	179.9	173.9	0	111.7	M61	M61-K177 HydrophobicContact CB-CB 4.08Å; M61-K177 HydrophobicContact CG-CB 4.46Å; M61-K177 PolarHBondContact N-O 3.29Å; M61-K177 PolarHBondContact O-N 3.09Å; M61-K177 VanDerWaalsContact O-N 3.16Å; M61-K177 HydrophobicContact SD-CB 4.28Å; M61-K177 HydrophobicContact SD-CD 4.04Å
178	L	94.3	Very high	96.3	Very high	53 Å²	53	58.6 Å²	58.6	28%	0.277	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.3	169.8	-160.8	81.9	0	0	0	109.7	L40 F44 I59 V60 V167 I169	L40-L178 HydrophobicContact CD2-CB 4.17Å; F44-L178 HydrophobicContact CE1-CD1 4.39Å; F44-L178 HydrophobicContact CE1-CD2 3.4Å; F44-L178 VanDerWaalsContact CE1-CD2 3.4Å; F44-L178 HydrophobicContact CE1-CG 4.5Å; F44-L178 HydrophobicContact CZ-CD2 3.5Å; F44-L178 VanDerWaalsContact CZ-CD2 3.5Å; I59-L178 CarbonylContact O-C 3.48Å; I59-L178 WeakPolarHBondContact O-CA 3.39Å; V60-L178 HydrophobicContact CB-CD1 4.48Å; V60-L178 HydrophobicContact CG2-CD1 3.85Å; V167-L178 HydrophobicContact CG1-CD2 4.05Å; I169-L178 HydrophobicContact CD1-CD1 3.87Å
179	G	89.3	Confident	96.2	Very high	75 Å²	75	59 Å²	59	77%	0.773	35%	0.345	S	S	*	.			trans	-147.3	0	-177.9	0	0	0	0	0	114.4	I58 I59	I58-G179 CarbonylContact C-O 3.58Å; I58-G179 WeakPolarHBondContact CA-O 3.45Å; I59-G179 PolarHBondContact N-O 2.64Å; I59-G179 PolarHBondContact O-N 2.78Å

Retrieved 179 of 179 residues in 153.5 ms (Link to these results)

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