A0A077ZLZ0_TRITR Loading...

CAP GLY domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLZ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.9	Low	54.3	Low	245 Å²	245	158.4 Å²	158.4	100%	1.207	85%	0.846	S	S	*	*				0	95.6	0	-72.4	178.2	-167.9	0	0	105.4
2	E	47.5	Very low	55.2	Low	196 Å²	196	152.9 Å²	152.9	92%	0.916	83%	0.83	S	S	*	*			trans	-73.4	145.4	-167.2	-124.1	141.1	111.5	0	0	112.3
3	T	48	Very low	55	Low	129 Å²	129	151.1 Å²	151.1	79%	0.791	83%	0.831	S	S	*	*			trans	-72	150.8	175.7	47.8	0	0	0	0	112.8
4	A	56.6	Low	55.3	Low	98 Å²	98	153 Å²	153	81%	0.81	84%	0.838	S	S	*	*			trans	-170.7	114.6	136.4	0	0	0	0	0	111.9
5	E	55.8	Low	55.9	Low	179 Å²	179	156.3 Å²	156.3	84%	0.836	84%	0.841	S	S	*	*			trans	-68.6	149.9	158.5	-61.2	168.4	121.7	0	0	109.6
6	N	54.2	Low	55.4	Low	165 Å²	165	154.3 Å²	154.3	88%	0.882	84%	0.838	S	S	*	*			trans	-142.7	100.7	162.7	-123.7	-27.9	0	0	0	110.9
7	L	57.3	Low	55.8	Low	164 Å²	164	151.9 Å²	151.9	86%	0.859	84%	0.836	S	S	*	*			trans	-83.2	128.3	163.5	-88.4	140.2	0	0	0	108.5
8	N	57.2	Low	55.7	Low	132 Å²	132	153.9 Å²	153.9	71%	0.706	84%	0.838	S	S	*	*			trans	-135.7	103.4	164.9	-168	56.8	0	0	0	113.2
9	K	56	Low	55.9	Low	182 Å²	182	154.7 Å²	154.7	79%	0.791	84%	0.841	S	S	*	*			trans	59.1	125.3	130.7	-67.7	-179.2	-173.8	169.7	0	122.4
10	S	52.7	Low	55.9	Low	99 Å²	99	152.8 Å²	152.8	69%	0.692	84%	0.836	S	S	*	*			trans	-52.6	155.1	159.2	53.6	0	0	0	0	117.1
11	N	53.4	Low	55.5	Low	153 Å²	153	157.1 Å²	157.1	82%	0.818	84%	0.84	S	S	*	*			trans	174.3	142.2	136.8	-89.4	-21.2	0	0	0	106.7
12	S	64.4	Low	55.9	Low	93 Å²	93	151.4 Å²	151.4	65%	0.65	82%	0.822	S	S	*	*			cis	-166.7	156.7	-11.1	-76.3	0	0	0	0	105
13	P	53.5	Low	56.6	Low	129 Å²	129	149.1 Å²	149.1	84%	0.838	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-82.4	131.8	-176.4	8.3	7	0	0	0	112.1
14	L	59	Low	56.4	Low	178 Å²	178	146.5 Å²	146.5	93%	0.932	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-83.6	128.9	171.5	-68.4	170.3	0	0	0	110.4
15	K	64.5	Low	56.4	Low	203 Å²	203	150.3 Å²	150.3	88%	0.883	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-71.3	150.9	177.3	-89.2	-179.4	172.1	-171.1	0	112.4
16	P	47.7	Very low	56	Low	123 Å²	123	146.2 Å²	146.2	80%	0.799	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-85.4	138.7	173.1	1.5	17.7	0	0	0	112.1
17	S	62.7	Low	55.7	Low	115 Å²	115	146.7 Å²	146.7	80%	0.804	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-94.6	147.8	172.8	49.6	0	0	0	0	112.2
18	H	53.6	Low	55.3	Low	187 Å²	187	143.1 Å²	143.1	87%	0.866	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.8	137.4	-171	-63	-100.3	0	0	0	113.4
19	L	58.6	Low	55	Low	170 Å²	170	148.3 Å²	148.3	89%	0.89	82%	0.822	S	S	*	*			trans	-115.1	138.4	161	-76.9	170.3	0	0	0	110.1
20	P	56.1	Low	54.5	Low	116 Å²	116	143 Å²	143	75%	0.753	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-81.2	148.8	-173.1	31.2	-32.5	0	0	0	113.2
21	R	48.1	Very low	54.6	Low	243 Å²	243	147 Å²	147	92%	0.917	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-68.7	135.9	171.3	-96.9	174.2	164.2	-128.5	-0.3	111.6
22	P	67	Low	54.4	Low	126 Å²	126	144.5 Å²	144.5	82%	0.818	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-85.3	143	155.4	-4.2	23.3	0	0	0	110.9
23	V	62.1	Low	53.7	Low	148 Å²	148	149.6 Å²	149.6	90%	0.897	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-82.5	144.6	-179.1	-150.6	0	0	0	0	109.4
24	G	45.2	Very low	53.5	Low	73 Å²	73	151.9 Å²	151.9	75%	0.753	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-68.8	152.5	-169	0	0	0	0	0	116
25	L	55	Low	53.1	Low	178 Å²	178	148.8 Å²	148.8	93%	0.932	83%	0.83	S	S	*	*			trans	-128.5	111.4	155	-88.9	153.2	0	0	0	106.6
26	A	47.3	Very low	52.7	Low	94 Å²	94	145.8 Å²	145.8	78%	0.777	82%	0.823	S	S	*	*			trans	-68.3	144.1	166.4	0	0	0	0	0	109.1
27	L	49.4	Very low	53	Low	174 Å²	174	145.6 Å²	145.6	91%	0.911	82%	0.819	S	S	*	*			trans	-164.4	132.1	133.2	-98	169.8	0	0	0	109.4
28	S	48.7	Very low	52.3	Low	90 Å²	90	144.9 Å²	144.9	63%	0.629	81%	0.814	S	S	*	*			trans	-69.8	146.7	-173.4	52.3	0	0	0	0	114.7
29	R	49.9	Very low	52.3	Low	240 Å²	240	142 Å²	142	91%	0.906	81%	0.809	S	S	*	*				161.3	137.5	114.9	-87.3	168.8	175.9	169.5	-2.1	109.9
30	G	44.9	Very low	51.8	Low	72 Å²	72	139.7 Å²	139.7	74%	0.742	80%	0.797	S	S	*	*			trans	-75.1	169.7	-162	0	0	0	0	0	115.9
31	L	56.2	Low	51.4	Low	181 Å²	181	139.6 Å²	139.6	95%	0.948	80%	0.8	S	S	*	*			trans	-163.4	134.1	149	-101	145	0	0	0	108.2
32	S	48.6	Very low	51.2	Low	102 Å²	102	132.5 Å²	132.5	71%	0.713	78%	0.783	S	S	*	*			trans	-86.6	156.8	-166.3	43.8	0	0	0	0	113.9
33	K	50.8	Low	50.3	Low	199 Å²	199	135.4 Å²	135.4	87%	0.865	79%	0.786	S	S	*	*			trans	54.9	89.3	153.3	-82.9	179.9	167.7	177.9	0	116.3
34	E	49.3	Very low	49.7	Very low	177 Å²	177	133.3 Å²	133.3	83%	0.827	77%	0.773	S	S	*	*			trans	-141.1	107.7	137.3	-70.7	-162.2	117	0	0	108.6	L36	E34-L36 VanDerWaalsContact C-N 3.28Å; E34-L36 PolarHBondContact O-N 3.39Å
35	S	49.3	Very low	50.1	Low	113 Å²	113	135.3 Å²	135.3	79%	0.79	77%	0.771	S	S	*	*			trans	-67.9	92	166.4	173.8	0	0	0	0	106.9	V37	S35-V37 PolarHBondContact O-N 2.73Å
36	L	55.6	Low	50.8	Low	141 Å²	141	129.8 Å²	129.8	74%	0.738	74%	0.742	S	S	*	*			trans	-76.7	98.4	170.2	-65.4	175.8	0	0	0	107.7	E34 S38	E34-L36 VanDerWaalsContact C-N 3.28Å; E34-L36 PolarHBondContact O-N 3.39Å; L36-S38 VanDerWaalsContact C-N 3.29Å; L36-S38 PolarHBondContact O-N 3.27Å
37	V	53.8	Low	52.8	Low	119 Å²	119	131.5 Å²	131.5	72%	0.721	74%	0.738	S	S	*	*			trans	-68.9	94.3	162.4	-178.3	0	0	0	0	106.5	S35 V39	S35-V37 PolarHBondContact O-N 2.73Å; V37-V39 HydrophobicContact CG1-CG2 4.44Å; V37-V39 PolarHBondContact O-N 3.24Å
38	S	48.7	Very low	55.1	Low	99 Å²	99	124.1 Å²	124.1	69%	0.692	70%	0.698	S	S	*	*			trans	-66.1	98	170.5	-68.4	0	0	0	0	109.1	L36 N40	L36-S38 VanDerWaalsContact C-N 3.29Å; L36-S38 PolarHBondContact O-N 3.27Å; S38-N40 PolarHBondContact O-N 3.24Å
39	V	53.7	Low	57.4	Low	127 Å²	127	124.7 Å²	124.7	77%	0.77	69%	0.693	S	S	*	*			trans	-73.6	84.9	165.9	-176.2	0	0	0	0	107.2	V37 S41	V37-V39 HydrophobicContact CG1-CG2 4.44Å; V37-V39 PolarHBondContact O-N 3.24Å; V39-S41 VanDerWaalsContact C-N 3.32Å; V39-S41 PolarHBondContact O-N 3.27Å
40	N	47.9	Very low	59.7	Low	121 Å²	121	117.6 Å²	117.6	65%	0.647	68%	0.676	S	S	*	*			trans	-67.5	97.2	163.2	-93.6	9.3	0	0	0	107.6	S38 T42	S38-N40 PolarHBondContact O-N 3.24Å; N40-T42 HydrophobicContact CB-CG2 4.38Å; N40-T42 PolarHBondContact O-N 3.18Å; N40-T42 PolarHBondContact O-OG1 2.95Å
41	S	47.7	Very low	62.2	Low	115 Å²	115	116.5 Å²	116.5	80%	0.804	67%	0.665	S	S	*	*			trans	-69.8	53.1	158.6	-177.2	0	0	0	0	109.8	V39	V39-S41 VanDerWaalsContact C-N 3.32Å; V39-S41 PolarHBondContact O-N 3.27Å
42	T	44.9	Very low	64.2	Low	93 Å²	93	109.4 Å²	109.4	57%	0.571	63%	0.628	S	S	*	*			trans	-73.5	117.9	155.4	42.9	0	0	0	0	104.8	N40 V44	N40-T42 HydrophobicContact CB-CG2 4.38Å; N40-T42 PolarHBondContact O-N 3.18Å; N40-T42 PolarHBondContact O-OG1 2.95Å; T42-V44 VanDerWaalsContact C-N 3.3Å; T42-V44 WeakPolarHBondContact O-CG2 3.31Å; T42-V44 PolarHBondContact O-N 3.23Å
43	Q	46.4	Very low	66.6	Low	188 Å²	188	108.6 Å²	108.6	88%	0.879	61%	0.609	S	S	*	*			trans	-29.1	91.9	178.6	-65.5	177.4	0.4	0	0	111.4	V45	Q43-V45 PolarHBondContact O-N 3.4Å
44	V	49.6	Very low	68.8	Low	103 Å²	103	99.1 Å²	99.1	62%	0.624	57%	0.568	S	S	*	*			trans	-74.7	100	163.4	-168	0	0	0	0	100.1	T42 D46	T42-V44 VanDerWaalsContact C-N 3.3Å; T42-V44 WeakPolarHBondContact O-CG2 3.31Å; T42-V44 PolarHBondContact O-N 3.23Å; V44-D46 PolarHBondContact O-N 2.97Å
45	V	55.1	Low	71.2	Confident	115 Å²	115	93.1 Å²	93.1	70%	0.697	54%	0.538	S	S	*	.			trans	-54.8	96.4	153.4	-109.3	0	0	0	0	102.8	Q43 D47	Q43-V45 PolarHBondContact O-N 3.4Å; V45-D47 VanDerWaalsContact C-N 3.29Å; V45-D47 PolarHBondContact O-N 3.11Å
46	D	68.4	Low	73.4	Confident	63 Å²	63	87.8 Å²	87.8	34%	0.337	50%	0.501	S	S	.	.			trans	-64.7	104.1	179	-83.8	-44.8	0	0	0	104.7	V44 W48	V44-D46 PolarHBondContact O-N 2.97Å; D46-W48 HydrophobicContact CB-CD2 4.4Å; D46-W48 HydrophobicContact CB-CG 4.31Å; D46-W48 HydrophobicContact CB-CZ2 4.33Å; D46-W48 PolarHBondContact O-N 2.05Å
47	D	90.8	Very high	75.3	Confident	129 Å²	129	84 Å²	84	69%	0.69	49%	0.487	S	S	*	.			trans	-68.4	71.1	176	-66.1	-31.8	0	0	0	108.4	V45 R116	V45-D47 VanDerWaalsContact C-N 3.29Å; V45-D47 PolarHBondContact O-N 3.11Å; D47-R116 PolarHBondContact O-NH2 2.79Å
48	W	96.4	Very high	77.3	Confident	19 Å²	19	78.4 Å²	78.4	7%	0.072	45%	0.453	C	S	.	.			trans	-68.3	135	176.3	-70.4	110.8	0	0	0	109.1	D46 D52 C54 I64 L67 L114 R116	D46-W48 HydrophobicContact CB-CD2 4.4Å; D46-W48 HydrophobicContact CB-CG 4.31Å; D46-W48 HydrophobicContact CB-CZ2 4.33Å; D46-W48 PolarHBondContact O-N 2.05Å; W48-D52 HydrophobicContact CE3-CB 4Å; W48-D52 HydrophobicContact CZ3-CB 4.28Å; W48-C54 HydrophobicContact CH2-CB 3.86Å; W48-C54 HydrophobicContact CZ3-CB 3.78Å; W48-I64 HydrophobicContact CB-CD1 3.8Å; W48-I64 HydrophobicContact CD2-CD1 3.65Å; W48-I64 HydrophobicContact CE3-CD1 3.33Å; W48-I64 HydrophobicContact CG-CD1 3.88Å; W48-I64 HydrophobicContact CZ3-CD1 4.09Å; W48-L67 HydrophobicContact CB-CD1 3.98Å; W48-L67 HydrophobicContact CB-CD2 4.19Å; W48-L67 WeakPolarHBondContact O-CD1 3.47Å; W48-L114 HydrophobicContact CD2-CB 4.46Å; W48-L114 HydrophobicContact CD2-CD1 3.92Å; W48-L114 HydrophobicContact CG-CD1 4.09Å; W48-L114 HydrophobicContact CH2-CB 4.04Å; W48-L114 HydrophobicContact CZ2-CB 3.33Å; W48-L114 HydrophobicContact CZ2-CD1 4.29Å; W48-L114 HydrophobicContact CZ2-CG 4.47Å; W48-R116 HydrophobicContact CH2-CB 4.38Å; W48-R116 HydrophobicContact CH2-CG 3.5Å; W48-R116 VanDerWaalsContact CH2-CG 3.5Å; W48-R116 HydrophobicContact CZ2-CG 4.22Å; W48-R116 HydrophobicContact CZ3-CG 3.93Å
49	I	97.3	Very high	79.5	Confident	103 Å²	103	77.7 Å²	77.7	53%	0.528	44%	0.444	S	S	.	.			trans	-117.6	150.7	171	60.4	170.3	0	0	0	110.2	G51 D52	I49-G51 PolarHBondContact O-N 2.95Å; I49-D52 HydrophobicContact CG1-CB 4.25Å; I49-D52 WeakPolarHBondContact CG1-OD1 3.14Å; I49-D52 VanDerWaalsContact O-CB 3.3Å; I49-D52 WeakPolarHBondContact O-CB 3.14Å; I49-D52 PolarHBondContact O-N 3.17Å; I49-D52 VanDerWaalsContact O-N 3.08Å
50	V	98.1	Very high	81.6	Confident	90 Å²	90	75.2 Å²	75.2	55%	0.545	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	133	170.2	174.1	0	0	0	0	108.7	I64 L67	V50-I64 HydrophobicContact CG2-CG2 4.5Å; V50-L67 HydrophobicContact CG2-CD1 4.31Å; V50-L67 HydrophobicContact CG2-CG 4.36Å
51	G	98.2	Very high	84	Confident	49 Å²	49	71.3 Å²	71.3	51%	0.505	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.7	-17.5	-172.8	0	0	0	0	0	114.2	I49 I64	I49-G51 PolarHBondContact O-N 2.95Å; G51-I64 PolarHBondContact N-O 3.29Å
52	D	98.2	Very high	86.4	Confident	33 Å²	33	65.9 Å²	65.9	18%	0.176	36%	0.364	C	S	.	.			trans	-61.9	144.4	-179.2	-95.3	1.3	0	0	0	112.4	W48 I49 K63 I64 R116	W48-D52 HydrophobicContact CE3-CB 4Å; W48-D52 HydrophobicContact CZ3-CB 4.28Å; I49-D52 HydrophobicContact CG1-CB 4.25Å; I49-D52 WeakPolarHBondContact CG1-OD1 3.14Å; I49-D52 VanDerWaalsContact O-CB 3.3Å; I49-D52 WeakPolarHBondContact O-CB 3.14Å; I49-D52 PolarHBondContact O-N 3.17Å; I49-D52 VanDerWaalsContact O-N 3.08Å; D52-K63 WeakPolarHBondContact O-CA 3.48Å; D52-I64 HydrophobicContact CB-CD1 4.12Å; D52-I64 PolarHBondContact O-N 3.48Å; D52-R116 IonicContact OD2-CZ 3.52Å; D52-R116 IonicContact OD2-NH1 3.62Å; D52-R116 PolarHBondContact OD2-NH1 3.47Å; D52-R116 IonicContact OD2-NH2 2.6Å
53	R	98.4	Very high	89	Confident	84 Å²	84	67.3 Å²	67.3	32%	0.317	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.5	169.7	-169.8	69	-164	173.7	-13.6	110.1	P61 G62 D83	R53-P61 VanDerWaalsContact NH2-CB 3.28Å; R53-G62 WeakPolarHBondContact CD-O 3.33Å; R53-G62 PolarHBondContact NE-O 2.98Å; R53-G62 VanDerWaalsContact NH1-CA 3.3Å; R53-G62 PolarHBondContact NH1-O 3.07Å; R53-G62 VanDerWaalsContact NH1-O 3.16Å; R53-D83 IonicContact CZ-OD1 3.98Å; R53-D83 VanDerWaalsContact CZ-OD1 3.31Å; R53-D83 IonicContact CZ-OD2 3.04Å; R53-D83 IonicContact NH1-OD1 2.84Å; R53-D83 PolarHBondContact NH1-OD1 2.72Å; R53-D83 IonicContact NH1-OD2 3.91Å; R53-D83 IonicContact NH2-OD1 3.01Å; R53-D83 PolarHBondContact NH2-OD1 3.11Å; R53-D83 IonicContact NH2-OD2 2.69Å; R53-D83 PolarHBondContact NH2-OD2 2.91Å
54	C	97.9	Very high	91.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	166.2	-179.7	65.1	0	0	0	0	112.3	W48 P61 G62 I64 L114 S115	W48-C54 HydrophobicContact CH2-CB 3.86Å; W48-C54 HydrophobicContact CZ3-CB 3.78Å; C54-P61 WeakPolarHBondContact O-CA 3.47Å; C54-G62 PolarHBondContact N-O 3.08Å; C54-G62 PolarHBondContact O-N 3Å; C54-I64 HydrophobicContact CB-CD1 4.5Å; C54-I64 HydrophobicContact CB-CG1 4.33Å; C54-L114 HydrophobicContact CB-CD2 4.26Å; C54-S115 CarbonylContact C-O 3.57Å; C54-S115 WeakPolarHBondContact CA-O 3.36Å
55	Y	97.9	Very high	93.8	Very high	51 Å²	51	55 Å²	55	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.2	171	-63.6	-100.6	0	0	0	108.9	S57 G58 R60 P61 S115 Q117 P118	Y55-S57 PolarHBondContact O-N 3.4Å; Y55-G58 PolarHBondContact O-N 3.3Å; Y55-R60 CarbonylContact C-O 3.55Å; Y55-R60 WeakPolarHBondContact CA-O 3.43Å; Y55-P61 HydrophobicContact CD1-CB 3.7Å; Y55-P61 HydrophobicContact CE1-CB 3.58Å; Y55-S115 WeakPolarHBondContact CB-OG 3.46Å; Y55-S115 PolarHBondContact N-O 3.37Å; Y55-S115 PolarHBondContact O-N 3.24Å; Y55-S115 VanDerWaalsContact O-N 3.11Å; Y55-S115 PolarHBondContact O-OG 3.43Å; Y55-Q117 VanDerWaalsContact CD2-C 3.41Å; Y55-P118 HydrophobicContact CD1-CB 3.75Å; Y55-P118 HydrophobicContact CD1-CG 4.03Å; Y55-P118 HydrophobicContact CE1-CB 3.67Å; Y55-P118 HydrophobicContact CE1-CG 3.46Å; Y55-P118 VanDerWaalsContact CE1-CG 3.46Å; Y55-P118 VanDerWaalsContact CE2-CD 3.49Å; Y55-P118 HydrophobicContact CE2-CG 4.11Å; Y55-P118 HydrophobicContact CG-CB 4.3Å; Y55-P118 VanDerWaalsContact CZ-CD 3.42Å
56	V	97.4	Very high	95.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.4	177	-175.8	0	0	0	0	109.4	G58 V59 R60 V80 L82 L107 C109 L114	V56-G58 PolarHBondContact O-N 3.17Å; V56-V59 PolarHBondContact O-N 3.01Å; V56-R60 HydrophobicContact CB-CB 4.33Å; V56-R60 PolarHBondContact N-O 3.01Å; V56-R60 PolarHBondContact O-N 2.93Å; V56-R60 VanDerWaalsContact O-N 3.11Å; V56-V80 HydrophobicContact CG2-CB 4.17Å; V56-V80 HydrophobicContact CG2-CG1 4.02Å; V56-V80 HydrophobicContact CG2-CG2 3.99Å; V56-L82 HydrophobicContact CG2-CD2 4.08Å; V56-L107 HydrophobicContact CB-CD2 4.31Å; V56-L107 HydrophobicContact CG1-CD2 3.77Å; V56-L107 HydrophobicContact CG2-CD2 4.26Å; V56-C109 HydrophobicContact CG1-CB 4.24Å; V56-L114 HydrophobicContact CG2-CD2 3.98Å
57	S	95.5	Very high	97.3	Very high	63 Å²	63	51 Å²	51	44%	0.441	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	29.3	-171.6	-51.9	0	0	0	0	112.6	Y55 V59 K113	Y55-S57 PolarHBondContact O-N 3.4Å; S57-V59 PolarHBondContact O-N 3.15Å; S57-K113 WeakPolarHBondContact CA-O 3.35Å; S57-K113 PolarHBondContact N-O 3.18Å
58	G	94.1	Very high	97.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	0.3	-178.6	0	0	0	0	0	116	Y55 V56 S115 P118 L119	Y55-G58 PolarHBondContact O-N 3.3Å; V56-G58 PolarHBondContact O-N 3.17Å; G58-S115 WeakPolarHBondContact CA-OG 3.41Å; G58-P118 CarbonylContact O-C 3.49Å; G58-P118 WeakPolarHBondContact O-CA 3.41Å; G58-L119 PolarHBondContact O-N 2.93Å
59	V	96	Very high	97.7	Very high	83 Å²	83	52.2 Å²	52.2	50%	0.503	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-44.1	-170.7	179.5	0	0	0	0	112.7	V56 S57 P61	V56-V59 PolarHBondContact O-N 3.01Å; S57-V59 PolarHBondContact O-N 3.15Å; V59-P61 WeakPolarHBondContact O-CD 3.38Å
60	R	97.6	Very high	97.7	Very high	75 Å²	75	48 Å²	48	28%	0.283	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	109.3	-171.8	-68	-175.7	-66.8	168.3	-3.1	110.3	Y55 V56 L82 T86 L107	Y55-R60 CarbonylContact C-O 3.55Å; Y55-R60 WeakPolarHBondContact CA-O 3.43Å; V56-R60 HydrophobicContact CB-CB 4.33Å; V56-R60 PolarHBondContact N-O 3.01Å; V56-R60 PolarHBondContact O-N 2.93Å; V56-R60 VanDerWaalsContact O-N 3.11Å; R60-L82 HydrophobicContact CB-CD2 4.15Å; R60-T86 PolarHBondContact NH1-O 3.16Å; R60-L107 VanDerWaalsContact CZ-CD2 3.46Å
61	P	98.4	Very high	97.7	Very high	40 Å²	40	50.7 Å²	50.7	26%	0.26	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	143.2	-171.6	41.6	-41.2	0	0	0	109.8	R53 C54 Y55 V59 D83	R53-P61 VanDerWaalsContact NH2-CB 3.28Å; C54-P61 WeakPolarHBondContact O-CA 3.47Å; Y55-P61 HydrophobicContact CD1-CB 3.7Å; Y55-P61 HydrophobicContact CE1-CB 3.58Å; V59-P61 WeakPolarHBondContact O-CD 3.38Å; P61-D83 PolarHBondContact O-N 3.07Å; P61-D83 VanDerWaalsContact O-N 3.11Å
62	G	98.7	Very high	97.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-179.8	-176.5	0	0	0	0	0	114	R53 C54 V81	R53-G62 WeakPolarHBondContact CD-O 3.33Å; R53-G62 PolarHBondContact NE-O 2.98Å; R53-G62 VanDerWaalsContact NH1-CA 3.3Å; R53-G62 PolarHBondContact NH1-O 3.07Å; R53-G62 VanDerWaalsContact NH1-O 3.16Å; C54-G62 PolarHBondContact N-O 3.08Å; C54-G62 PolarHBondContact O-N 3Å; G62-V81 CarbonylContact C-O 3.29Å; G62-V81 WeakPolarHBondContact CA-O 3.43Å
63	K	98.8	Very high	97.6	Very high	123 Å²	123	50.7 Å²	50.7	54%	0.535	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.2	173.9	-68.6	-174.4	-178.5	-179.9	0	110.7	D52 A65 V80 V81	D52-K63 WeakPolarHBondContact O-CA 3.48Å; K63-A65 PolarHBondContact O-N 2.92Å; K63-V80 CarbonylContact O-C 3.56Å; K63-V80 WeakPolarHBondContact O-CA 3.39Å; K63-V81 PolarHBondContact N-O 2.82Å; K63-V81 PolarHBondContact O-N 2.87Å
64	I	98.7	Very high	97.6	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127	175.1	-58.3	-178.6	0	0	0	108.8	W48 V50 G51 D52 C54 L67 L114	W48-I64 HydrophobicContact CB-CD1 3.8Å; W48-I64 HydrophobicContact CD2-CD1 3.65Å; W48-I64 HydrophobicContact CE3-CD1 3.33Å; W48-I64 HydrophobicContact CG-CD1 3.88Å; W48-I64 HydrophobicContact CZ3-CD1 4.09Å; V50-I64 HydrophobicContact CG2-CG2 4.5Å; G51-I64 PolarHBondContact N-O 3.29Å; D52-I64 HydrophobicContact CB-CD1 4.12Å; D52-I64 PolarHBondContact O-N 3.48Å; C54-I64 HydrophobicContact CB-CD1 4.5Å; C54-I64 HydrophobicContact CB-CG1 4.33Å; I64-L67 HydrophobicContact CG2-CD1 4.07Å; I64-L67 HydrophobicContact CG2-CD2 3.88Å; I64-L67 HydrophobicContact CG2-CG 3.67Å; I64-L114 HydrophobicContact CD1-CD1 3.7Å; I64-L114 HydrophobicContact CG1-CD1 4.31Å
65	A	98.7	Very high	97.5	Very high	30 Å²	30	52.9 Å²	52.9	25%	0.248	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-14.9	178.3	0	0	0	0	0	113.1	K63 G79 V81 F99	K63-A65 PolarHBondContact O-N 2.92Å; A65-G79 PolarHBondContact N-O 3.38Å; A65-V81 HydrophobicContact CB-CG2 3.73Å; A65-F99 HydrophobicContact CB-CB 3.81Å; A65-F99 HydrophobicContact CB-CD1 4.37Å; A65-F99 HydrophobicContact CB-CD2 3.81Å; A65-F99 HydrophobicContact CB-CE2 4.48Å; A65-F99 HydrophobicContact CB-CG 3.75Å
66	F	98.7	Very high	97.4	Very high	40 Å²	40	55 Å²	55	18%	0.175	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	143.2	177.9	173.1	-92.1	0	0	0	110.1	E69 T70 A78 G79 Y98 F99 F108	F66-E69 WeakPolarHBondContact CZ-O 3.33Å; F66-T70 HydrophobicContact CE1-CG2 3.89Å; F66-T70 HydrophobicContact CZ-CG2 4.49Å; F66-A78 CarbonylContact O-C 3.56Å; F66-A78 VanDerWaalsContact O-CA 3.32Å; F66-A78 WeakPolarHBondContact O-CA 3.5Å; F66-G79 PolarHBondContact N-O 2.68Å; F66-G79 VanDerWaalsContact N-O 3.13Å; F66-G79 PolarHBondContact O-N 3.21Å; F66-Y98 HydrophobicContact CD1-CD1 4.44Å; F66-Y98 HydrophobicContact CD2-CD1 4.11Å; F66-Y98 HydrophobicContact CE1-CD1 4.07Å; F66-Y98 AromaticContact CE2-CD1 3.72Å; F66-Y98 HydrophobicContact CE2-CD1 3.72Å; F66-Y98 HydrophobicContact CG-CD1 4.46Å; F66-Y98 AromaticContact CZ-CD1 3.7Å; F66-Y98 HydrophobicContact CZ-CD1 3.7Å; F66-Y98 HydrophobicContact CZ-CE1 4.2Å; F66-F99 HydrophobicContact CB-CD1 3.79Å; F66-F99 HydrophobicContact CB-CE1 4.39Å; F66-F108 AromaticContact CD1-CE1 3.73Å; F66-F108 HydrophobicContact CD1-CE1 3.73Å; F66-F108 HydrophobicContact CE1-CE1 4.19Å; F66-F108 HydrophobicContact CG-CE1 4.45Å
67	L	98.1	Very high	97.4	Very high	54 Å²	54	57.1 Å²	57.1	28%	0.283	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.8	170.6	-70.6	168.1	0	0	0	108.5	W48 V50 I64 W77 A78 L111	W48-L67 HydrophobicContact CB-CD1 3.98Å; W48-L67 HydrophobicContact CB-CD2 4.19Å; W48-L67 WeakPolarHBondContact O-CD1 3.47Å; V50-L67 HydrophobicContact CG2-CD1 4.31Å; V50-L67 HydrophobicContact CG2-CG 4.36Å; I64-L67 HydrophobicContact CG2-CD1 4.07Å; I64-L67 HydrophobicContact CG2-CD2 3.88Å; I64-L67 HydrophobicContact CG2-CG 3.67Å; L67-W77 WeakPolarHBondContact CA-O 3.16Å; L67-A78 HydrophobicContact CD2-CB 3.85Å; L67-L111 HydrophobicContact CD2-CD1 4.23Å; L67-L111 HydrophobicContact CD2-CG 4.4Å
68	G	97.5	Very high	97.5	Very high	20 Å²	20	54.1 Å²	54.1	21%	0.206	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.1	-163.6	173	0	0	0	0	0	114.1	W77	G68-W77 PolarHBondContact N-O 3.48Å; G68-W77 PolarHBondContact O-N 2.85Å
69	E	97.5	Very high	97.8	Very high	153 Å²	153	54.1 Å²	54.1	72%	0.715	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	156	178.7	-60.8	-170.1	148.5	0	0	112.3	F66	F66-E69 WeakPolarHBondContact CZ-O 3.33Å
70	T	98.2	Very high	97.9	Very high	15 Å²	15	50.1 Å²	50.1	9%	0.092	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.2	-179.4	69.6	0	0	0	0	111.5	F66 F72 G73 W77 Y98 F108	F66-T70 HydrophobicContact CE1-CG2 3.89Å; F66-T70 HydrophobicContact CZ-CG2 4.49Å; T70-F72 VanDerWaalsContact CB-CE1 3.49Å; T70-F72 HydrophobicContact CG2-CE1 3.73Å; T70-F72 HydrophobicContact CG2-CE2 4.24Å; T70-F72 HydrophobicContact CG2-CZ 3.55Å; T70-F72 PolarHBondContact O-N 2.99Å; T70-F72 WeakPolarHBondContact OG1-CE2 3.41Å; T70-F72 WeakPolarHBondContact OG1-CZ 3.43Å; T70-G73 PolarHBondContact OG1-N 3.45Å; T70-G73 PolarHBondContact OG1-O 2.96Å; T70-W77 HydrophobicContact CG2-CB 3.68Å; T70-W77 HydrophobicContact CG2-CG 3.72Å; T70-W77 PolarHBondContact OG1-NE1 3.18Å; T70-Y98 HydrophobicContact CG2-CE1 4.05Å; T70-F108 HydrophobicContact CG2-CD1 4.31Å; T70-F108 HydrophobicContact CG2-CE1 4.08Å
71	H	97.3	Very high	98	Very high	147 Å²	147	48.5 Å²	48.5	68%	0.681	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.7	176.8	-69.3	64.1	0	0	0	112.8	Y98	H71-Y98 WeakPolarHBondContact CB-OH 3.13Å; H71-Y98 PolarHBondContact N-OH 2.71Å; H71-Y98 PolarHBondContact ND1-OH 3.14Å
72	F	97.4	Very high	98	Very high	61 Å²	61	46.7 Å²	46.7	27%	0.268	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-10.1	-178.3	57.9	-100.3	0	0	0	113.8	T70 W77 V93 M94 Y98 F108	T70-F72 VanDerWaalsContact CB-CE1 3.49Å; T70-F72 HydrophobicContact CG2-CE1 3.73Å; T70-F72 HydrophobicContact CG2-CE2 4.24Å; T70-F72 HydrophobicContact CG2-CZ 3.55Å; T70-F72 PolarHBondContact O-N 2.99Å; T70-F72 WeakPolarHBondContact OG1-CE2 3.41Å; T70-F72 WeakPolarHBondContact OG1-CZ 3.43Å; F72-W77 HydrophobicContact CD2-CZ2 4.36Å; F72-W77 AromaticContact CE2-CD2 3.84Å; F72-W77 HydrophobicContact CE2-CD2 3.84Å; F72-W77 AromaticContact CE2-CE2 3.81Å; F72-W77 AromaticContact CE2-CE3 3.98Å; F72-W77 HydrophobicContact CE2-CE3 3.98Å; F72-W77 HydrophobicContact CE2-CG 4.43Å; F72-W77 HydrophobicContact CE2-CH2 4.04Å; F72-W77 AromaticContact CE2-CZ2 3.92Å; F72-W77 HydrophobicContact CE2-CZ2 3.92Å; F72-W77 HydrophobicContact CE2-CZ3 4.06Å; F72-W77 HydrophobicContact CZ-CD2 4.32Å; F72-W77 HydrophobicContact CZ-CE3 4.43Å; F72-V93 HydrophobicContact CB-CG1 4.37Å; F72-V93 HydrophobicContact CD1-CB 3.89Å; F72-V93 HydrophobicContact CD1-CG1 3.42Å; F72-V93 VanDerWaalsContact CD1-CG1 3.42Å; F72-V93 HydrophobicContact CE1-CB 3.99Å; F72-V93 HydrophobicContact CE1-CG1 3.88Å; F72-V93 HydrophobicContact CE1-CG2 4.22Å; F72-V93 HydrophobicContact CG-CG1 4.02Å; F72-M94 HydrophobicContact CB-CE 3.44Å; F72-M94 VanDerWaalsContact CB-CE 3.44Å; F72-M94 HydrophobicContact CB-SD 4Å; F72-Y98 HydrophobicContact CD1-CE2 4.39Å; F72-Y98 HydrophobicContact CE1-CE2 4.11Å; F72-F108 HydrophobicContact CE1-CD1 4.16Å; F72-F108 HydrophobicContact CE1-CD2 4.14Å; F72-F108 HydrophobicContact CE1-CE1 4.16Å; F72-F108 HydrophobicContact CE1-CE2 4.19Å; F72-F108 HydrophobicContact CE1-CG 4.11Å; F72-F108 HydrophobicContact CE1-CZ 4.16Å; F72-F108 HydrophobicContact CE2-CB 4.27Å; F72-F108 HydrophobicContact CE2-CG 4.42Å; F72-F108 HydrophobicContact CZ-CB 3.77Å; F72-F108 AromaticContact CZ-CD1 3.56Å; F72-F108 HydrophobicContact CZ-CD1 3.56Å; F72-F108 AromaticContact CZ-CD2 3.92Å; F72-F108 HydrophobicContact CZ-CD2 3.92Å; F72-F108 AromaticContact CZ-CE1 3.99Å; F72-F108 HydrophobicContact CZ-CE1 3.99Å; F72-F108 HydrophobicContact CZ-CE2 4.36Å; F72-F108 AromaticContact CZ-CG 3.47Å; F72-F108 HydrophobicContact CZ-CG 3.47Å; F72-F108 VanDerWaalsContact CZ-CG 3.47Å; F72-F108 HydrophobicContact CZ-CZ 4.36Å
73	G	97.1	Very high	98	Very high	20 Å²	20	50.5 Å²	50.5	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	139.8	-178.1	0	0	0	0	0	113.7	T70 W77	T70-G73 PolarHBondContact OG1-N 3.45Å; T70-G73 PolarHBondContact OG1-O 2.96Å; G73-W77 PolarHBondContact O-NE1 3.19Å
74	S	97.2	Very high	98	Very high	99 Å²	99	50.9 Å²	50.9	69%	0.692	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	157.5	179.1	58.3	0	0	0	0	113.5	W77 R110	S74-W77 PolarHBondContact O-NE1 3.19Å; S74-R110 PolarHBondContact O-NH1 2.78Å; S74-R110 PolarHBondContact O-NH2 2.97Å
75	G	96	Very high	98	Very high	32 Å²	32	53.7 Å²	53.7	33%	0.33	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75	-174.4	179.2	0	0	0	0	0	113.5
76	D	95.7	Very high	97.9	Very high	96 Å²	96	55.7 Å²	55.7	51%	0.513	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.9	-172.4	-60.4	-42.4	0	0	0	113.1	R110 L111	D76-R110 WeakPolarHBondContact O-CD 3.44Å; D76-R110 PolarHBondContact O-NH1 2.87Å; D76-L111 HydrophobicContact CB-CD1 3.89Å; D76-L111 HydrophobicContact CB-CD2 4.49Å
77	W	98.3	Very high	97.9	Very high	45 Å²	45	54.5 Å²	54.5	17%	0.17	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.5	174.7	-67.7	86.1	0	0	0	110.8	L67 G68 T70 F72 G73 S74 F108	L67-W77 WeakPolarHBondContact CA-O 3.16Å; G68-W77 PolarHBondContact N-O 3.48Å; G68-W77 PolarHBondContact O-N 2.85Å; T70-W77 HydrophobicContact CG2-CB 3.68Å; T70-W77 HydrophobicContact CG2-CG 3.72Å; T70-W77 PolarHBondContact OG1-NE1 3.18Å; F72-W77 HydrophobicContact CD2-CZ2 4.36Å; F72-W77 AromaticContact CE2-CD2 3.84Å; F72-W77 HydrophobicContact CE2-CD2 3.84Å; F72-W77 AromaticContact CE2-CE2 3.81Å; F72-W77 AromaticContact CE2-CE3 3.98Å; F72-W77 HydrophobicContact CE2-CE3 3.98Å; F72-W77 HydrophobicContact CE2-CG 4.43Å; F72-W77 HydrophobicContact CE2-CH2 4.04Å; F72-W77 AromaticContact CE2-CZ2 3.92Å; F72-W77 HydrophobicContact CE2-CZ2 3.92Å; F72-W77 HydrophobicContact CE2-CZ3 4.06Å; F72-W77 HydrophobicContact CZ-CD2 4.32Å; F72-W77 HydrophobicContact CZ-CE3 4.43Å; G73-W77 PolarHBondContact O-NE1 3.19Å; S74-W77 PolarHBondContact O-NE1 3.19Å; W77-F108 HydrophobicContact CB-CD1 4.25Å; W77-F108 HydrophobicContact CE3-CB 3.89Å; W77-F108 HydrophobicContact CZ3-CB 4.23Å
78	A	98.5	Very high	97.9	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.4	163.7	0	0	0	0	0	109	F66 L67 V80 F108 C109 L111 L114	F66-A78 CarbonylContact O-C 3.56Å; F66-A78 VanDerWaalsContact O-CA 3.32Å; F66-A78 WeakPolarHBondContact O-CA 3.5Å; L67-A78 HydrophobicContact CD2-CB 3.85Å; A78-V80 HydrophobicContact CB-CG2 4.32Å; A78-F108 VanDerWaalsContact O-CA 3.32Å; A78-F108 WeakPolarHBondContact O-CA 3.38Å; A78-C109 PolarHBondContact N-O 3.42Å; A78-C109 PolarHBondContact O-N 2.84Å; A78-L111 HydrophobicContact CB-CD1 4.18Å; A78-L114 HydrophobicContact CB-CD1 3.7Å; A78-L114 HydrophobicContact CB-CG 4.45Å
79	G	98.7	Very high	98	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.6	161.8	0	0	0	0	0	108.8	A65 F66	A65-G79 PolarHBondContact N-O 3.38Å; F66-G79 PolarHBondContact N-O 2.68Å; F66-G79 VanDerWaalsContact N-O 3.13Å; F66-G79 PolarHBondContact O-N 3.21Å
80	V	98.9	Very high	98.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.9	-176.9	-176.1	0	0	0	0	109	V56 K63 A78 L82 L107 L114	V56-V80 HydrophobicContact CG2-CB 4.17Å; V56-V80 HydrophobicContact CG2-CG1 4.02Å; V56-V80 HydrophobicContact CG2-CG2 3.99Å; K63-V80 CarbonylContact O-C 3.56Å; K63-V80 WeakPolarHBondContact O-CA 3.39Å; A78-V80 HydrophobicContact CB-CG2 4.32Å; V80-L82 HydrophobicContact CG1-CD2 3.98Å; V80-L107 PolarHBondContact N-O 3.11Å; V80-L107 PolarHBondContact O-N 2.79Å; V80-L114 HydrophobicContact CG2-CD2 3.96Å
81	V	98.9	Very high	98.1	Very high	40 Å²	40	54.4 Å²	54.4	24%	0.242	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	107.5	165.5	-178.5	0	0	0	0	107.3	G62 K63 A65 F99 C101 H105	G62-V81 CarbonylContact C-O 3.29Å; G62-V81 WeakPolarHBondContact CA-O 3.43Å; K63-V81 PolarHBondContact N-O 2.82Å; K63-V81 PolarHBondContact O-N 2.87Å; A65-V81 HydrophobicContact CB-CG2 3.73Å; V81-F99 HydrophobicContact CG2-CD2 3.8Å; V81-F99 HydrophobicContact CG2-CE2 3.81Å; V81-C101 HydrophobicContact CB-CB 4.43Å; V81-C101 HydrophobicContact CG1-CB 3.85Å; V81-C101 HydrophobicContact CG2-CB 3.76Å; V81-H105 HydrophobicContact CG1-CB 4.3Å
82	L	98.9	Very high	98.1	Very high	3 Å²	3	49 Å²	49	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	150.5	177.4	-59.2	179	0	0	0	110.3	V56 R60 V80 E84 H105 L107	V56-L82 HydrophobicContact CG2-CD2 4.08Å; R60-L82 HydrophobicContact CB-CD2 4.15Å; V80-L82 HydrophobicContact CG1-CD2 3.98Å; L82-E84 VanDerWaalsContact C-N 3.32Å; L82-E84 WeakPolarHBondContact CB-O 3.48Å; L82-H105 WeakPolarHBondContact CB-O 3.18Å; L82-H105 WeakPolarHBondContact CG-O 3.44Å; L82-H105 PolarHBondContact N-O 2.94Å; L82-H105 PolarHBondContact O-ND1 2.8Å; L82-L107 HydrophobicContact CD1-CB 4.07Å; L82-L107 HydrophobicContact CD1-CD2 4.25Å; L82-L107 HydrophobicContact CD2-CD2 4.46Å; L82-L107 HydrophobicContact CG-CB 4.25Å
83	D	98.7	Very high	98.2	Very high	80 Å²	80	47.6 Å²	47.6	43%	0.428	28%	0.278	S	S	.	.	S	Bend	trans	-68.2	-35.9	175.7	-74.8	15.8	0	0	0	112.2	R53 P61 H105	R53-D83 IonicContact CZ-OD1 3.98Å; R53-D83 VanDerWaalsContact CZ-OD1 3.31Å; R53-D83 IonicContact CZ-OD2 3.04Å; R53-D83 IonicContact NH1-OD1 2.84Å; R53-D83 PolarHBondContact NH1-OD1 2.72Å; R53-D83 IonicContact NH1-OD2 3.91Å; R53-D83 IonicContact NH2-OD1 3.01Å; R53-D83 PolarHBondContact NH2-OD1 3.11Å; R53-D83 IonicContact NH2-OD2 2.69Å; R53-D83 PolarHBondContact NH2-OD2 2.91Å; P61-D83 PolarHBondContact O-N 3.07Å; P61-D83 VanDerWaalsContact O-N 3.11Å; D83-H105 PolarHBondContact O-CE1 3.47Å; D83-H105 VanDerWaalsContact O-CE1 3.23Å
84	E	98.5	Very high	98.2	Very high	131 Å²	131	53.3 Å²	53.3	61%	0.612	30%	0.301	S	S	*	.	S	Bend	trans	-108.7	150.9	-179.2	-61.5	-60.7	151.6	0	0	110.5	L82 T86	L82-E84 VanDerWaalsContact C-N 3.32Å; L82-E84 WeakPolarHBondContact CB-O 3.48Å; E84-T86 HydrophobicContact CB-CG2 4.09Å; E84-T86 PolarHBondContact O-N 2.78Å; E84-T86 PolarHBondContact O-OG1 3.06Å
85	A	98.5	Very high	98.2	Very high	61 Å²	61	52 Å²	52	50%	0.504	30%	0.304	S	S	.	.	S	Bend	trans	-70	64.8	177.4	0	0	0	0	0	112.4	D104	A85-D104 CarbonylContact C-O 3.59Å; A85-D104 VanDerWaalsContact C-O 3.29Å; A85-D104 VanDerWaalsContact CA-O 3.3Å; A85-D104 WeakPolarHBondContact CA-O 3.37Å; A85-D104 HydrophobicContact CB-CB 4.2Å
86	T	98.2	Very high	98.3	Very high	72 Å²	72	52.8 Å²	52.8	44%	0.442	30%	0.302	S	S	.	.			trans	-128	16.7	-176.9	61.1	0	0	0	0	112.2	R60 E84 D104	R60-T86 PolarHBondContact NH1-O 3.16Å; E84-T86 HydrophobicContact CB-CG2 4.09Å; E84-T86 PolarHBondContact O-N 2.78Å; E84-T86 PolarHBondContact O-OG1 3.06Å; T86-D104 PolarHBondContact N-O 2.94Å; T86-D104 VanDerWaalsContact N-O 3.14Å
87	G	98.4	Very high	98.4	Very high	15 Å²	15	53.7 Å²	53.7	16%	0.155	30%	0.298	C	S	.	.	S	Bend	trans	-83.3	-156.6	176.1	0	0	0	0	0	111.8	D104 G106	G87-D104 WeakPolarHBondContact CA-O 3.42Å; G87-D104 PolarHBondContact N-O 3.21Å; G87-G106 WeakPolarHBondContact CA-O 3.44Å
88	K	98.4	Very high	98.5	Very high	171 Å²	171	53.3 Å²	53.3	74%	0.743	30%	0.297	S	S	*	.	S	Bend	trans	-139.2	-6	-176.8	-64.9	-173.5	175.6	-172.8	0	113.8	G106 L107	K88-G106 PolarHBondContact N-O 3.02Å; K88-L107 HydrophobicContact CB-CD1 4.42Å; K88-L107 HydrophobicContact CD-CD1 4.04Å; K88-L107 HydrophobicContact CG-CD1 3.9Å
89	N	98.6	Very high	98.5	Very high	21 Å²	21	54.1 Å²	54.1	11%	0.112	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-156.5	174.4	-173.9	58.2	81.4	0	0	0	110.6	G91 V93 D104 G106	N89-G91 WeakPolarHBondContact OD1-CA 3.4Å; N89-G91 PolarHBondContact OD1-N 2.69Å; N89-V93 HydrophobicContact CB-CG2 4.25Å; N89-D104 PolarHBondContact O-N 2.85Å; N89-G106 PolarHBondContact N-O 2.6Å; N89-G106 VanDerWaalsContact N-O 3.1Å; N89-G106 PolarHBondContact ND2-O 2.83Å; N89-G106 VanDerWaalsContact ND2-O 3.13Å; N89-G106 VanDerWaalsContact O-CA 3.22Å; N89-G106 WeakPolarHBondContact O-CA 3.3Å; N89-G106 PolarHBondContact O-N 3.04Å; N89-G106 VanDerWaalsContact OD1-CA 3.32Å; N89-G106 WeakPolarHBondContact OD1-CA 3.32Å; N89-G106 PolarHBondContact OD1-O 2.85Å
90	D	98.8	Very high	98.5	Very high	48 Å²	48	60.3 Å²	60.3	26%	0.257	33%	0.33	S	S	.	.	S	Bend	trans	-104.1	16.5	174.5	72.6	-31.8	0	0	0	112	C92 R97 C101	D90-C92 VanDerWaalsContact OD1-CB 3.27Å; D90-C92 WeakPolarHBondContact OD1-CB 3.35Å; D90-C92 PolarHBondContact OD1-N 3.38Å; D90-R97 PolarHBondContact O-NH1 3.16Å; D90-R97 IonicContact OD2-CZ 3.73Å; D90-R97 IonicContact OD2-NH1 3.67Å; D90-R97 IonicContact OD2-NH2 3.31Å; D90-R97 PolarHBondContact OD2-NH2 3.01Å; D90-C101 PolarHBondContact O-N 2.85Å; D90-C101 PolarHBondContact O-SG 3.02Å; D90-C101 VanDerWaalsContact O-SG 3.37Å
91	G	98.5	Very high	98.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	92.3	-1.9	-170.5	0	0	0	0	0	114.8	N89 Y98 F99	N89-G91 WeakPolarHBondContact OD1-CA 3.4Å; N89-G91 PolarHBondContact OD1-N 2.69Å; G91-Y98 PolarHBondContact O-N 3.37Å; G91-F99 CarbonylContact C-O 3.51Å; G91-F99 WeakPolarHBondContact CA-O 3.17Å; G91-F99 PolarHBondContact O-N 2.73Å
92	C	98.7	Very high	98.4	Very high	35 Å²	35	62.6 Å²	62.6	24%	0.236	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.6	168.1	-172.8	0	0	0	0	111.3	D90 V96	D90-C92 VanDerWaalsContact OD1-CB 3.27Å; D90-C92 WeakPolarHBondContact OD1-CB 3.35Å; D90-C92 PolarHBondContact OD1-N 3.38Å; C92-V96 WeakPolarHBondContact CA-O 3.3Å
93	V	98.3	Very high	98.4	Very high	31 Å²	31	67 Å²	67	19%	0.188	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	124.3	176.1	-179.4	0	0	0	0	109	F72 N89 G95 V96 Y98 F108	F72-V93 HydrophobicContact CB-CG1 4.37Å; F72-V93 HydrophobicContact CD1-CB 3.89Å; F72-V93 HydrophobicContact CD1-CG1 3.42Å; F72-V93 VanDerWaalsContact CD1-CG1 3.42Å; F72-V93 HydrophobicContact CE1-CB 3.99Å; F72-V93 HydrophobicContact CE1-CG1 3.88Å; F72-V93 HydrophobicContact CE1-CG2 4.22Å; F72-V93 HydrophobicContact CG-CG1 4.02Å; N89-V93 HydrophobicContact CB-CG2 4.25Å; V93-G95 PolarHBondContact O-N 2.98Å; V93-V96 PolarHBondContact N-O 3.11Å; V93-V96 PolarHBondContact O-N 2.91Å; V93-V96 VanDerWaalsContact O-N 3.08Å; V93-Y98 HydrophobicContact CB-CE2 4.29Å; V93-F108 HydrophobicContact CG2-CD2 3.73Å; V93-F108 HydrophobicContact CG2-CE2 3.46Å; V93-F108 VanDerWaalsContact CG2-CE2 3.46Å; V93-F108 HydrophobicContact CG2-CZ 4.48Å
94	M	96.9	Very high	98.4	Very high	139 Å²	139	67.5 Å²	67.5	69%	0.685	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	40.2	-177.4	-54.3	-176.5	-36.8	0	0	113.3	F72 V96	F72-M94 HydrophobicContact CB-CE 3.44Å; F72-M94 VanDerWaalsContact CB-CE 3.44Å; F72-M94 HydrophobicContact CB-SD 4Å; M94-V96 VanDerWaalsContact C-N 3.26Å; M94-V96 PolarHBondContact O-N 3.31Å
95	G	97.8	Very high	98.4	Very high	73 Å²	73	63.3 Å²	63.3	75%	0.753	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-5.1	179.2	0	0	0	0	0	115.3	V93	V93-G95 PolarHBondContact O-N 2.98Å
96	V	98.4	Very high	98.4	Very high	47 Å²	47	60.4 Å²	60.4	29%	0.285	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.4	176	-177.1	0	0	0	0	109.7	C92 V93 M94 Y98	C92-V96 WeakPolarHBondContact CA-O 3.3Å; V93-V96 PolarHBondContact N-O 3.11Å; V93-V96 PolarHBondContact O-N 2.91Å; V93-V96 VanDerWaalsContact O-N 3.08Å; M94-V96 VanDerWaalsContact C-N 3.26Å; M94-V96 PolarHBondContact O-N 3.31Å; V96-Y98 HydrophobicContact CB-CE2 3.81Å; V96-Y98 HydrophobicContact CG1-CD2 4.29Å; V96-Y98 HydrophobicContact CG1-CE1 4.32Å; V96-Y98 HydrophobicContact CG1-CE2 3.72Å; V96-Y98 VanDerWaalsContact O-CD2 3.32Å; V96-Y98 WeakPolarHBondContact O-CD2 3.22Å; V96-Y98 WeakPolarHBondContact O-CE2 3.32Å
97	R	98.6	Very high	98.5	Very high	116 Å²	116	57.3 Å²	57.3	44%	0.438	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.4	175.4	-177.6	162	-66.2	-72.8	1.9	110.7	D90 F99	D90-R97 PolarHBondContact O-NH1 3.16Å; D90-R97 IonicContact OD2-CZ 3.73Å; D90-R97 IonicContact OD2-NH1 3.67Å; D90-R97 IonicContact OD2-NH2 3.31Å; D90-R97 PolarHBondContact OD2-NH2 3.01Å; R97-F99 WeakPolarHBondContact CG-O 3.42Å; R97-F99 PolarHBondContact NH1-O 2.73Å
98	Y	98.7	Very high	98.5	Very high	36 Å²	36	57.8 Å²	57.8	14%	0.141	31%	0.313	C	S	.	.			trans	-106.9	-34.6	178.6	-64.3	-93.8	0	0	0	112.2	F66 T70 H71 F72 G91 V93 V96 F108	F66-Y98 HydrophobicContact CD1-CD1 4.44Å; F66-Y98 HydrophobicContact CD2-CD1 4.11Å; F66-Y98 HydrophobicContact CE1-CD1 4.07Å; F66-Y98 AromaticContact CE2-CD1 3.72Å; F66-Y98 HydrophobicContact CE2-CD1 3.72Å; F66-Y98 HydrophobicContact CG-CD1 4.46Å; F66-Y98 AromaticContact CZ-CD1 3.7Å; F66-Y98 HydrophobicContact CZ-CD1 3.7Å; F66-Y98 HydrophobicContact CZ-CE1 4.2Å; T70-Y98 HydrophobicContact CG2-CE1 4.05Å; H71-Y98 WeakPolarHBondContact CB-OH 3.13Å; H71-Y98 PolarHBondContact N-OH 2.71Å; H71-Y98 PolarHBondContact ND1-OH 3.14Å; F72-Y98 HydrophobicContact CD1-CE2 4.39Å; F72-Y98 HydrophobicContact CE1-CE2 4.11Å; G91-Y98 PolarHBondContact O-N 3.37Å; V93-Y98 HydrophobicContact CB-CE2 4.29Å; V96-Y98 HydrophobicContact CB-CE2 3.81Å; V96-Y98 HydrophobicContact CG1-CD2 4.29Å; V96-Y98 HydrophobicContact CG1-CE1 4.32Å; V96-Y98 HydrophobicContact CG1-CE2 3.72Å; V96-Y98 VanDerWaalsContact O-CD2 3.32Å; V96-Y98 WeakPolarHBondContact O-CD2 3.22Å; V96-Y98 WeakPolarHBondContact O-CE2 3.32Å; Y98-F108 HydrophobicContact CD1-CE1 4.46Å; Y98-F108 HydrophobicContact CD1-CZ 4.26Å; Y98-F108 HydrophobicContact CD2-CE1 4.5Å; Y98-F108 HydrophobicContact CD2-CE2 4.25Å; Y98-F108 AromaticContact CD2-CZ 3.61Å; Y98-F108 HydrophobicContact CD2-CZ 3.61Å; Y98-F108 HydrophobicContact CE2-CZ 4.33Å; Y98-F108 HydrophobicContact CG-CE1 4.21Å; Y98-F108 AromaticContact CG-CZ 3.59Å; Y98-F108 HydrophobicContact CG-CZ 3.59Å
99	F	98.8	Very high	98.5	Very high	17 Å²	17	50.1 Å²	50.1	8%	0.075	28%	0.282	C	S	.	.			trans	-153.8	175.9	175.3	56.2	-85.1	0	0	0	110.1	A65 F66 V81 G91 R97 C101 F108	A65-F99 HydrophobicContact CB-CB 3.81Å; A65-F99 HydrophobicContact CB-CD1 4.37Å; A65-F99 HydrophobicContact CB-CD2 3.81Å; A65-F99 HydrophobicContact CB-CE2 4.48Å; A65-F99 HydrophobicContact CB-CG 3.75Å; F66-F99 HydrophobicContact CB-CD1 3.79Å; F66-F99 HydrophobicContact CB-CE1 4.39Å; V81-F99 HydrophobicContact CG2-CD2 3.8Å; V81-F99 HydrophobicContact CG2-CE2 3.81Å; G91-F99 CarbonylContact C-O 3.51Å; G91-F99 WeakPolarHBondContact CA-O 3.17Å; G91-F99 PolarHBondContact O-N 2.73Å; R97-F99 WeakPolarHBondContact CG-O 3.42Å; R97-F99 PolarHBondContact NH1-O 2.73Å; F99-C101 HydrophobicContact CD2-CB 4.48Å; F99-C101 HydrophobicContact CE2-CB 4.47Å; F99-F108 HydrophobicContact CD1-CZ 4.21Å; F99-F108 HydrophobicContact CE1-CD2 4.49Å; F99-F108 HydrophobicContact CE1-CE1 4.16Å; F99-F108 AromaticContact CE1-CE2 3.7Å; F99-F108 HydrophobicContact CE1-CE2 3.7Å; F99-F108 AromaticContact CE1-CZ 3.54Å; F99-F108 HydrophobicContact CE1-CZ 3.54Å; F99-F108 HydrophobicContact CZ-CE2 4.28Å
100	Q	98.6	Very high	98.4	Very high	131 Å²	131	53.7 Å²	53.7	61%	0.612	29%	0.293	S	S	*	.			trans	-115.1	130	177.5	-173.8	63.6	47.7	0	0	110.1
101	C	98.6	Very high	98.3	Very high	16 Å²	16	53.7 Å²	53.7	11%	0.108	29%	0.293	C	S	.	.			trans	-154.1	176.3	169	62.2	0	0	0	0	111.2	V81 D90 F99 H105 G106	V81-C101 HydrophobicContact CB-CB 4.43Å; V81-C101 HydrophobicContact CG1-CB 3.85Å; V81-C101 HydrophobicContact CG2-CB 3.76Å; D90-C101 PolarHBondContact O-N 2.85Å; D90-C101 PolarHBondContact O-SG 3.02Å; D90-C101 VanDerWaalsContact O-SG 3.37Å; F99-C101 HydrophobicContact CD2-CB 4.48Å; F99-C101 HydrophobicContact CE2-CB 4.47Å; C101-H105 HydrophobicContact CB-CB 4.31Å; C101-G106 VanDerWaalsContact SG-CA 3.6Å; C101-G106 PolarHBondContact SG-N 3.32Å; C101-G106 VanDerWaalsContact SG-N 3.4Å
102	S	98.6	Very high	98.1	Very high	72 Å²	72	59.7 Å²	59.7	50%	0.503	33%	0.33	S	S	.	.			trans	-66.9	155.1	172	-62.7	0	0	0	0	111.1	D104 H105	S102-D104 PolarHBondContact O-N 3.38Å; S102-H105 WeakPolarHBondContact O-CB 3.32Å; S102-H105 PolarHBondContact O-N 2.78Å; S102-H105 VanDerWaalsContact O-N 3.17Å
103	P	98.6	Very high	98	Very high	96 Å²	96	63.5 Å²	63.5	62%	0.623	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	139.3	174	-26.5	35.2	0	0	0	112.1	H105	P103-H105 PolarHBondContact O-CD2 3.23Å; P103-H105 VanDerWaalsContact O-CD2 3.32Å; P103-H105 PolarHBondContact O-N 2.75Å; P103-H105 VanDerWaalsContact O-N 3.15Å
104	D	98.5	Very high	97.9	Very high	90 Å²	90	62.6 Å²	62.6	48%	0.481	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	13.7	-179.2	-55.3	-43.1	0	0	0	115.9	A85 T86 G87 N89 S102	A85-D104 CarbonylContact C-O 3.59Å; A85-D104 VanDerWaalsContact C-O 3.29Å; A85-D104 VanDerWaalsContact CA-O 3.3Å; A85-D104 WeakPolarHBondContact CA-O 3.37Å; A85-D104 HydrophobicContact CB-CB 4.2Å; T86-D104 PolarHBondContact N-O 2.94Å; T86-D104 VanDerWaalsContact N-O 3.14Å; G87-D104 WeakPolarHBondContact CA-O 3.42Å; G87-D104 PolarHBondContact N-O 3.21Å; N89-D104 PolarHBondContact O-N 2.85Å; S102-D104 PolarHBondContact O-N 3.38Å
105	H	98.8	Very high	97.9	Very high	43 Å²	43	56.9 Å²	56.9	20%	0.199	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-24.3	170.1	-76.9	-102.4	0	0	0	113.2	V81 L82 D83 C101 S102 P103	V81-H105 HydrophobicContact CG1-CB 4.3Å; L82-H105 WeakPolarHBondContact CB-O 3.18Å; L82-H105 WeakPolarHBondContact CG-O 3.44Å; L82-H105 PolarHBondContact N-O 2.94Å; L82-H105 PolarHBondContact O-ND1 2.8Å; D83-H105 PolarHBondContact O-CE1 3.47Å; D83-H105 VanDerWaalsContact O-CE1 3.23Å; C101-H105 HydrophobicContact CB-CB 4.31Å; S102-H105 WeakPolarHBondContact O-CB 3.32Å; S102-H105 PolarHBondContact O-N 2.78Å; S102-H105 VanDerWaalsContact O-N 3.17Å; P103-H105 PolarHBondContact O-CD2 3.23Å; P103-H105 VanDerWaalsContact O-CD2 3.32Å; P103-H105 PolarHBondContact O-N 2.75Å; P103-H105 VanDerWaalsContact O-N 3.15Å
106	G	98.8	Very high	97.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.8	-178.4	0	0	0	0	0	112.3	G87 K88 N89 C101	G87-G106 WeakPolarHBondContact CA-O 3.44Å; K88-G106 PolarHBondContact N-O 3.02Å; N89-G106 PolarHBondContact N-O 2.6Å; N89-G106 VanDerWaalsContact N-O 3.1Å; N89-G106 PolarHBondContact ND2-O 2.83Å; N89-G106 VanDerWaalsContact ND2-O 3.13Å; N89-G106 VanDerWaalsContact O-CA 3.22Å; N89-G106 WeakPolarHBondContact O-CA 3.3Å; N89-G106 PolarHBondContact O-N 3.04Å; N89-G106 VanDerWaalsContact OD1-CA 3.32Å; N89-G106 WeakPolarHBondContact OD1-CA 3.32Å; N89-G106 PolarHBondContact OD1-O 2.85Å; C101-G106 VanDerWaalsContact SG-CA 3.6Å; C101-G106 PolarHBondContact SG-N 3.32Å; C101-G106 VanDerWaalsContact SG-N 3.4Å
107	L	98.8	Very high	97.6	Very high	7 Å²	7	63 Å²	63	4%	0.037	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.5	175.1	-176.5	77.3	0	0	0	111	V56 R60 V80 L82 K88	V56-L107 HydrophobicContact CB-CD2 4.31Å; V56-L107 HydrophobicContact CG1-CD2 3.77Å; V56-L107 HydrophobicContact CG2-CD2 4.26Å; R60-L107 VanDerWaalsContact CZ-CD2 3.46Å; V80-L107 PolarHBondContact N-O 3.11Å; V80-L107 PolarHBondContact O-N 2.79Å; L82-L107 HydrophobicContact CD1-CB 4.07Å; L82-L107 HydrophobicContact CD1-CD2 4.25Å; L82-L107 HydrophobicContact CD2-CD2 4.46Å; L82-L107 HydrophobicContact CG-CB 4.25Å; K88-L107 HydrophobicContact CB-CD1 4.42Å; K88-L107 HydrophobicContact CD-CD1 4.04Å; K88-L107 HydrophobicContact CG-CD1 3.9Å
108	F	98.8	Very high	97.4	Very high	24 Å²	24	60.5 Å²	60.5	11%	0.105	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.1	168.8	-75.7	-89.2	0	0	0	111.8	F66 T70 F72 W77 A78 V93 Y98 F99	F66-F108 AromaticContact CD1-CE1 3.73Å; F66-F108 HydrophobicContact CD1-CE1 3.73Å; F66-F108 HydrophobicContact CE1-CE1 4.19Å; F66-F108 HydrophobicContact CG-CE1 4.45Å; T70-F108 HydrophobicContact CG2-CD1 4.31Å; T70-F108 HydrophobicContact CG2-CE1 4.08Å; F72-F108 HydrophobicContact CE1-CD1 4.16Å; F72-F108 HydrophobicContact CE1-CD2 4.14Å; F72-F108 HydrophobicContact CE1-CE1 4.16Å; F72-F108 HydrophobicContact CE1-CE2 4.19Å; F72-F108 HydrophobicContact CE1-CG 4.11Å; F72-F108 HydrophobicContact CE1-CZ 4.16Å; F72-F108 HydrophobicContact CE2-CB 4.27Å; F72-F108 HydrophobicContact CE2-CG 4.42Å; F72-F108 HydrophobicContact CZ-CB 3.77Å; F72-F108 AromaticContact CZ-CD1 3.56Å; F72-F108 HydrophobicContact CZ-CD1 3.56Å; F72-F108 AromaticContact CZ-CD2 3.92Å; F72-F108 HydrophobicContact CZ-CD2 3.92Å; F72-F108 AromaticContact CZ-CE1 3.99Å; F72-F108 HydrophobicContact CZ-CE1 3.99Å; F72-F108 HydrophobicContact CZ-CE2 4.36Å; F72-F108 AromaticContact CZ-CG 3.47Å; F72-F108 HydrophobicContact CZ-CG 3.47Å; F72-F108 VanDerWaalsContact CZ-CG 3.47Å; F72-F108 HydrophobicContact CZ-CZ 4.36Å; W77-F108 HydrophobicContact CB-CD1 4.25Å; W77-F108 HydrophobicContact CE3-CB 3.89Å; W77-F108 HydrophobicContact CZ3-CB 4.23Å; A78-F108 VanDerWaalsContact O-CA 3.32Å; A78-F108 WeakPolarHBondContact O-CA 3.38Å; V93-F108 HydrophobicContact CG2-CD2 3.73Å; V93-F108 HydrophobicContact CG2-CE2 3.46Å; V93-F108 VanDerWaalsContact CG2-CE2 3.46Å; V93-F108 HydrophobicContact CG2-CZ 4.48Å; Y98-F108 HydrophobicContact CD1-CE1 4.46Å; Y98-F108 HydrophobicContact CD1-CZ 4.26Å; Y98-F108 HydrophobicContact CD2-CE1 4.5Å; Y98-F108 HydrophobicContact CD2-CE2 4.25Å; Y98-F108 AromaticContact CD2-CZ 3.61Å; Y98-F108 HydrophobicContact CD2-CZ 3.61Å; Y98-F108 HydrophobicContact CE2-CZ 4.33Å; Y98-F108 HydrophobicContact CG-CE1 4.21Å; Y98-F108 AromaticContact CG-CZ 3.59Å; Y98-F108 HydrophobicContact CG-CZ 3.59Å; F99-F108 HydrophobicContact CD1-CZ 4.21Å; F99-F108 HydrophobicContact CE1-CD2 4.49Å; F99-F108 HydrophobicContact CE1-CE1 4.16Å; F99-F108 AromaticContact CE1-CE2 3.7Å; F99-F108 HydrophobicContact CE1-CE2 3.7Å; F99-F108 AromaticContact CE1-CZ 3.54Å; F99-F108 HydrophobicContact CE1-CZ 3.54Å; F99-F108 HydrophobicContact CZ-CE2 4.28Å
109	C	98.3	Very high	96.9	Very high	11 Å²	11	63.7 Å²	63.7	7%	0.074	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164.4	170.5	66.6	0	0	0	0	112	V56 A78 K113 L114	V56-C109 HydrophobicContact CG1-CB 4.24Å; A78-C109 PolarHBondContact N-O 3.42Å; A78-C109 PolarHBondContact O-N 2.84Å; C109-K113 HydrophobicContact CB-CB 4.13Å; C109-L114 VanDerWaalsContact SG-CD2 3.6Å
110	R	97.3	Very high	96.3	Very high	95 Å²	95	68.1 Å²	68.1	36%	0.358	36%	0.36	S	S	.	.			trans	-64.2	149.4	167.7	-63.9	-63.1	-169.2	172.2	-2.7	110.4	S74 D76 T112 K113	S74-R110 PolarHBondContact O-NH1 2.78Å; S74-R110 PolarHBondContact O-NH2 2.97Å; D76-R110 WeakPolarHBondContact O-CD 3.44Å; D76-R110 PolarHBondContact O-NH1 2.87Å; R110-T112 WeakPolarHBondContact CB-OG1 3.35Å; R110-T112 PolarHBondContact O-N 3.08Å; R110-K113 WeakPolarHBondContact O-CB 3.27Å; R110-K113 PolarHBondContact O-N 3.35Å
111	L	96.3	Very high	95	Very high	48 Å²	48	70.5 Å²	70.5	25%	0.251	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-57.4	-32.8	174.9	-82.3	62.7	0	0	0	111.7	L67 D76 A78 K113 L114	L67-L111 HydrophobicContact CD2-CD1 4.23Å; L67-L111 HydrophobicContact CD2-CG 4.4Å; D76-L111 HydrophobicContact CB-CD1 3.89Å; D76-L111 HydrophobicContact CB-CD2 4.49Å; A78-L111 HydrophobicContact CB-CD1 4.18Å; L111-K113 PolarHBondContact O-N 3.15Å; L111-L114 WeakPolarHBondContact O-CB 3.35Å; L111-L114 PolarHBondContact O-N 3.17Å
112	T	94.6	Very high	93.5	Very high	127 Å²	127	74 Å²	74	78%	0.779	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-62.9	-11.6	175.1	58	0	0	0	0	114.7	R110	R110-T112 WeakPolarHBondContact CB-OG1 3.35Å; R110-T112 PolarHBondContact O-N 3.08Å
113	K	95.9	Very high	91.3	Very high	114 Å²	114	79.6 Å²	79.6	50%	0.496	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-95	-5	173.5	-63.2	-64.5	-174	179.9	0	112.5	S57 C109 R110 L111	S57-K113 WeakPolarHBondContact CA-O 3.35Å; S57-K113 PolarHBondContact N-O 3.18Å; C109-K113 HydrophobicContact CB-CB 4.13Å; R110-K113 WeakPolarHBondContact O-CB 3.27Å; R110-K113 PolarHBondContact O-N 3.35Å; L111-K113 PolarHBondContact O-N 3.15Å
114	L	96.4	Very high	89.3	Confident	12 Å²	12	80.7 Å²	80.7	6%	0.063	40%	0.401	C	S	.	.			trans	-86.6	153.3	176.7	-58.4	-176.8	0	0	0	110.5	W48 C54 V56 I64 A78 V80 C109 L111	W48-L114 HydrophobicContact CD2-CB 4.46Å; W48-L114 HydrophobicContact CD2-CD1 3.92Å; W48-L114 HydrophobicContact CG-CD1 4.09Å; W48-L114 HydrophobicContact CH2-CB 4.04Å; W48-L114 HydrophobicContact CZ2-CB 3.33Å; W48-L114 HydrophobicContact CZ2-CD1 4.29Å; W48-L114 HydrophobicContact CZ2-CG 4.47Å; C54-L114 HydrophobicContact CB-CD2 4.26Å; V56-L114 HydrophobicContact CG2-CD2 3.98Å; I64-L114 HydrophobicContact CD1-CD1 3.7Å; I64-L114 HydrophobicContact CG1-CD1 4.31Å; A78-L114 HydrophobicContact CB-CD1 3.7Å; A78-L114 HydrophobicContact CB-CG 4.45Å; V80-L114 HydrophobicContact CG2-CD2 3.96Å; C109-L114 VanDerWaalsContact SG-CD2 3.6Å; L111-L114 WeakPolarHBondContact O-CB 3.35Å; L111-L114 PolarHBondContact O-N 3.17Å
115	S	96	Very high	87	Confident	19 Å²	19	81.8 Å²	81.8	13%	0.133	41%	0.411	C	S	.	.			trans	-148.7	144.6	173.3	50.3	0	0	0	0	108.7	C54 Y55 G58 Q117	C54-S115 CarbonylContact C-O 3.57Å; C54-S115 WeakPolarHBondContact CA-O 3.36Å; Y55-S115 WeakPolarHBondContact CB-OG 3.46Å; Y55-S115 PolarHBondContact N-O 3.37Å; Y55-S115 PolarHBondContact O-N 3.24Å; Y55-S115 VanDerWaalsContact O-N 3.11Å; Y55-S115 PolarHBondContact O-OG 3.43Å; G58-S115 WeakPolarHBondContact CA-OG 3.41Å; S115-Q117 VanDerWaalsContact C-N 3.27Å; S115-Q117 PolarHBondContact OG-O 3.4Å
116	R	95.4	Very high	84.7	Confident	111 Å²	111	83.9 Å²	83.9	42%	0.419	43%	0.43	S	S	.	.	S	Bend	trans	-75.8	-18.5	-179.4	-66.6	-169.5	-176.6	-90.9	2.3	112.8	D47 W48 D52	D47-R116 PolarHBondContact O-NH2 2.79Å; W48-R116 HydrophobicContact CH2-CB 4.38Å; W48-R116 HydrophobicContact CH2-CG 3.5Å; W48-R116 VanDerWaalsContact CH2-CG 3.5Å; W48-R116 HydrophobicContact CZ2-CG 4.22Å; W48-R116 HydrophobicContact CZ3-CG 3.93Å; D52-R116 IonicContact OD2-CZ 3.52Å; D52-R116 IonicContact OD2-NH1 3.62Å; D52-R116 PolarHBondContact OD2-NH1 3.47Å; D52-R116 IonicContact OD2-NH2 2.6Å
117	Q	94.9	Very high	81.9	Confident	137 Å²	137	86.7 Å²	86.7	64%	0.64	45%	0.449	S	S	*	.	S	Bend	trans	-133.2	152.9	-178.9	-65.2	-62	-44.8	0	0	109.6	Y55 S115 L119	Y55-Q117 VanDerWaalsContact CD2-C 3.41Å; S115-Q117 VanDerWaalsContact C-N 3.27Å; S115-Q117 PolarHBondContact OG-O 3.4Å; Q117-L119 PolarHBondContact O-N 2.8Å
118	P	94.9	Very high	79.6	Confident	65 Å²	65	93.6 Å²	93.6	42%	0.422	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-63.1	137.4	174.8	6.7	0.6	0	0	0	110.1	Y55 G58	Y55-P118 HydrophobicContact CD1-CB 3.75Å; Y55-P118 HydrophobicContact CD1-CG 4.03Å; Y55-P118 HydrophobicContact CE1-CB 3.67Å; Y55-P118 HydrophobicContact CE1-CG 3.46Å; Y55-P118 VanDerWaalsContact CE1-CG 3.46Å; Y55-P118 VanDerWaalsContact CE2-CD 3.49Å; Y55-P118 HydrophobicContact CE2-CG 4.11Å; Y55-P118 HydrophobicContact CG-CB 4.3Å; Y55-P118 VanDerWaalsContact CZ-CD 3.42Å; G58-P118 CarbonylContact O-C 3.49Å; G58-P118 WeakPolarHBondContact O-CA 3.41Å
119	L	89.2	Confident	77.5	Confident	102 Å²	102	98.3 Å²	98.3	53%	0.534	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-83	139.5	175	-64.8	178.1	0	0	0	109.7	G58 Q117 K121	G58-L119 PolarHBondContact O-N 2.93Å; Q117-L119 PolarHBondContact O-N 2.8Å; L119-K121 PolarHBondContact O-N 2.78Å
120	P	85.9	Confident	75.3	Confident	111 Å²	111	107.5 Å²	107.5	72%	0.721	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-55	130.6	172.7	-23.4	32.8	0	0	0	110.4	L122	P120-L122 PolarHBondContact O-N 3.13Å
121	K	71.1	Confident	73.1	Confident	180 Å²	180	111.7 Å²	111.7	78%	0.783	57%	0.57	S	S	*	*			trans	-65.3	101.7	172.3	-67.3	-177.3	-177.6	177.4	0	108.3	L119 K123	L119-K121 PolarHBondContact O-N 2.78Å; K121-K123 PolarHBondContact O-N 3.1Å; K121-K123 VanDerWaalsContact O-N 3.15Å
122	L	65.8	Low	70.8	Confident	91 Å²	91	114.3 Å²	114.3	48%	0.476	60%	0.599	S	S	.	*			trans	-67.1	113.2	164.8	-61.4	168.5	0	0	0	106.9	P120 L124 L151	P120-L122 PolarHBondContact O-N 3.13Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 2.81Å; L122-L151 HydrophobicContact CD1-CD1 3.13Å; L122-L151 HydrophobicContact CD2-CD1 3.49Å; L122-L151 VanDerWaalsContact CD2-CD1 3.49Å; L122-L151 HydrophobicContact CG-CD1 3.9Å
123	K	52.5	Low	68.7	Low	188 Å²	188	117.3 Å²	117.3	82%	0.817	60%	0.604	S	S	*	*			trans	-69.3	97.7	166.5	-70.4	-174.4	-179.8	-179.2	0	106.6	K121 V125	K121-K123 PolarHBondContact O-N 3.1Å; K121-K123 VanDerWaalsContact O-N 3.15Å; K123-V125 PolarHBondContact O-N 3.13Å
124	L	56.8	Low	66.6	Low	119 Å²	119	116.4 Å²	116.4	62%	0.623	62%	0.618	S	S	*	*			trans	-64.7	108.4	165.8	-173.2	67.5	0	0	0	106.7	L122 S126	L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 2.81Å; L124-S126 PolarHBondContact O-N 3.49Å; L124-S126 VanDerWaalsContact O-N 3.16Å
125	V	49.7	Very low	64.5	Low	114 Å²	114	124.2 Å²	124.2	69%	0.691	66%	0.66	S	S	*	*			trans	-67.7	109.8	168.3	179.2	0	0	0	0	106.2	K123 C127	K123-V125 PolarHBondContact O-N 3.13Å; V125-C127 PolarHBondContact O-N 2.96Å
126	S	52	Low	62.4	Low	86 Å²	86	126.2 Å²	126.2	60%	0.601	68%	0.684	S	S	*	*			trans	-72.8	115.4	167.4	55.4	0	0	0	0	108.1	L124 N128	L124-S126 PolarHBondContact O-N 3.49Å; L124-S126 VanDerWaalsContact O-N 3.16Å; S126-N128 PolarHBondContact O-N 3.01Å
127	C	39.7	Very low	59.9	Low	59 Å²	59	127.8 Å²	127.8	40%	0.399	71%	0.708	S	S	.	*			trans	-64.1	114.6	164.8	-60.1	0	0	0	0	107.6	V125 E129	V125-C127 PolarHBondContact O-N 2.96Å; C127-E129 HydrophobicContact CB-CG 3.98Å; C127-E129 PolarHBondContact O-N 2.86Å
128	N	50.2	Low	58	Low	152 Å²	152	126.3 Å²	126.3	81%	0.813	71%	0.713	S	S	*	*			trans	-81.3	90	165.9	-80.5	-23.9	0	0	0	107.2	S126 K130	S126-N128 PolarHBondContact O-N 3.01Å; N128-K130 PolarHBondContact O-N 3.02Å
129	E	54.7	Low	56.1	Low	123 Å²	123	133.1 Å²	133.1	58%	0.575	74%	0.739	S	S	*	*			trans	-85.6	90.3	174.1	-58.2	-176.8	-169	0	0	107.6	C127 C142	C127-E129 HydrophobicContact CB-CG 3.98Å; C127-E129 PolarHBondContact O-N 2.86Å; E129-C142 PolarHBondContact OE1-SG 3.46Å
130	K	52.1	Low	54.2	Low	205 Å²	205	131.6 Å²	131.6	89%	0.891	75%	0.749	S	S	*	*			trans	-87.1	100.7	153	-78.8	-163.1	178	-176.1	0	106	N128 A132	N128-K130 PolarHBondContact O-N 3.02Å; K130-A132 PolarHBondContact O-N 3.44Å
131	E	50.4	Low	52.6	Low	182 Å²	182	133.3 Å²	133.3	85%	0.85	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-49	116.1	179.4	-63.8	166.5	162.3	0	0	110.3
132	A	47.8	Very low	51.4	Low	104 Å²	104	126.4 Å²	126.4	86%	0.86	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-91.3	123.3	157.3	0	0	0	0	0	106.6	K130	K130-A132 PolarHBondContact O-N 3.44Å
133	E	52.3	Low	51	Low	190 Å²	190	127.2 Å²	127.2	89%	0.888	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-65.3	156	-173.6	-167.3	173.1	164.9	0	0	113.3
134	A	51.7	Low	51	Low	95 Å²	95	120.4 Å²	120.4	79%	0.785	71%	0.707	S	S	*	*			trans	89.9	109.2	161.3	0	0	0	0	0	119.1
135	D	52.5	Low	50.8	Low	176 Å²	176	122.1 Å²	122.1	94%	0.941	71%	0.71	S	S	*	*			trans	111.6	109.7	135.8	-140.9	23.5	0	0	0	116.4
136	G	50.6	Low	50.9	Low	61 Å²	61	119.4 Å²	119.4	63%	0.629	70%	0.699	S	S	*	*			trans	109.4	118.7	165.6	0	0	0	0	0	116.1	S138	G136-S138 PolarHBondContact O-N 2.94Å
137	P	44.1	Very low	50.6	Low	143 Å²	143	122.2 Å²	122.2	93%	0.929	70%	0.697	S	S	*	*			trans	-82.2	111.8	177.3	31.9	-29.4	0	0	0	110.3
138	S	53.3	Low	51	Low	107 Å²	107	124 Å²	124	75%	0.748	70%	0.703	S	S	*	*			trans	-138	132	160.2	67.1	0	0	0	0	109	G136 G140	G136-S138 PolarHBondContact O-N 2.94Å; S138-G140 PolarHBondContact O-N 2.96Å
139	E	55.2	Low	50.9	Low	207 Å²	207	122.7 Å²	122.7	97%	0.967	70%	0.7	S	S	*	*			trans	-57.6	80.7	179.7	-64.3	-178.8	134.3	0	0	111.4	M141	E139-M141 PolarHBondContact O-N 3.24Å
140	G	49.1	Very low	50.6	Low	71 Å²	71	124.7 Å²	124.7	73%	0.732	71%	0.709	S	S	*	*			trans	-87.8	84.9	-179.2	0	0	0	0	0	110.5	S138 C142	S138-G140 PolarHBondContact O-N 2.96Å; G140-C142 PolarHBondContact O-N 3.37Å; G140-C142 VanDerWaalsContact O-N 3.17Å
141	M	53.5	Low	50.4	Low	146 Å²	146	119.2 Å²	119.2	72%	0.719	69%	0.689	S	S	*	*			trans	-59.8	118.6	160.5	179	159.7	65.8	0	0	108.2	E139 T143 K145	E139-M141 PolarHBondContact O-N 3.24Å; M141-T143 PolarHBondContact O-N 3Å; M141-T143 VanDerWaalsContact O-N 3.11Å; M141-K145 HydrophobicContact CG-CD 4.5Å; M141-K145 HydrophobicContact SD-CD 4.32Å
142	C	46.2	Very low	50	Low	36 Å²	36	113.8 Å²	113.8	24%	0.243	68%	0.682	C	S	.	*			trans	-46.2	121.8	175.5	177	0	0	0	0	110.2	E129 G140 C144 K145	E129-C142 PolarHBondContact OE1-SG 3.46Å; G140-C142 PolarHBondContact O-N 3.37Å; G140-C142 VanDerWaalsContact O-N 3.17Å; C142-C144 WeakPolarHBondContact CB-SG 3.32Å; C142-C144 PolarHBondContact O-N 3.08Å; C142-C144 WeakPolarHBondContact SG-CB 3.32Å; C142-C144 PolarHBondContact SG-N 3.27Å; C142-C144 VanDerWaalsContact SG-N 3.4Å; C142-C144 CovalentContact SG-SG 2.05Å; C142-C144 PolarHBondContact SG-SG 3.17Å; C142-K145 PolarHBondContact O-N 3.26Å
143	T	57	Low	50.1	Low	107 Å²	107	115.3 Å²	115.3	66%	0.656	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-62.2	-8.7	179.1	52.2	0	0	0	0	112.6	M141 K145 A146	M141-T143 PolarHBondContact O-N 3Å; M141-T143 VanDerWaalsContact O-N 3.11Å; T143-K145 PolarHBondContact O-N 3.43Å; T143-A146 VanDerWaalsContact O-CB 3.31Å; T143-A146 WeakPolarHBondContact O-CB 3.49Å; T143-A146 PolarHBondContact O-N 2.93Å
144	C	52.2	Low	49.6	Very low	46 Å²	46	118.3 Å²	118.3	31%	0.311	68%	0.676	S	S	.	*	G	3₁₀ helix	trans	-62.5	-18.9	166.5	60.2	0	0	0	0	114.1	C142	C142-C144 WeakPolarHBondContact CB-SG 3.32Å; C142-C144 PolarHBondContact O-N 3.08Å; C142-C144 WeakPolarHBondContact SG-CB 3.32Å; C142-C144 PolarHBondContact SG-N 3.27Å; C142-C144 VanDerWaalsContact SG-N 3.4Å; C142-C144 CovalentContact SG-SG 2.05Å; C142-C144 PolarHBondContact SG-SG 3.17Å
145	K	53	Low	49.2	Very low	155 Å²	155	117.8 Å²	117.8	67%	0.674	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-85.3	-12.1	168	-74.9	-176.8	177.8	173.9	0	114	M141 C142 T143	M141-K145 HydrophobicContact CG-CD 4.5Å; M141-K145 HydrophobicContact SD-CD 4.32Å; C142-K145 PolarHBondContact O-N 3.26Å; T143-K145 PolarHBondContact O-N 3.43Å
146	A	51.5	Low	48.9	Very low	57 Å²	57	120 Å²	120	47%	0.471	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-81.3	-17.4	-177	0	0	0	0	0	113.9	T143 L148 V149	T143-A146 VanDerWaalsContact O-CB 3.31Å; T143-A146 WeakPolarHBondContact O-CB 3.49Å; T143-A146 PolarHBondContact O-N 2.93Å; A146-L148 PolarHBondContact O-N 2.91Å; A146-V149 PolarHBondContact O-N 3.27Å
147	Y	45.6	Very low	48.3	Very low	144 Å²	144	126 Å²	126	57%	0.565	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-73.5	-8.2	-175.5	-152.4	-101.9	0	0	0	114.6
148	L	47.9	Very low	48.3	Very low	98 Å²	98	128.2 Å²	128.2	51%	0.513	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-92	-1.4	175.7	-70.3	174.7	0	0	0	114.3	A146	A146-L148 PolarHBondContact O-N 2.91Å
149	V	48.8	Very low	47.9	Very low	123 Å²	123	129.1 Å²	129.1	75%	0.745	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-22.3	175	179.6	0	0	0	0	112.1	A146 L151	A146-V149 PolarHBondContact O-N 3.27Å; V149-L151 VanDerWaalsContact C-N 3.33Å; V149-L151 PolarHBondContact O-N 2.89Å
150	Q	47.4	Very low	47.4	Very low	165 Å²	165	126.4 Å²	126.4	77%	0.771	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-10.8	-176.2	-150.3	76.1	10.4	0	0	114.3
151	L	48.8	Very low	47.3	Very low	90 Å²	90	132.2 Å²	132.2	47%	0.471	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108	27.8	-174.1	-65.4	174.2	0	0	0	114.5	L122 V149 M153	L122-L151 HydrophobicContact CD1-CD1 3.13Å; L122-L151 HydrophobicContact CD2-CD1 3.49Å; L122-L151 VanDerWaalsContact CD2-CD1 3.49Å; L122-L151 HydrophobicContact CG-CD1 3.9Å; V149-L151 VanDerWaalsContact C-N 3.33Å; V149-L151 PolarHBondContact O-N 2.89Å; L151-M153 PolarHBondContact O-N 3.38Å; L151-M153 VanDerWaalsContact O-N 3.08Å
152	G	41.6	Very low	47.1	Very low	68 Å²	68	135.5 Å²	135.5	70%	0.701	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.3	15	167.9	0	0	0	0	0	115.1	R154	G152-R154 VanDerWaalsContact C-N 3.27Å; G152-R154 PolarHBondContact O-N 3.02Å
153	M	50.3	Low	46.7	Very low	137 Å²	137	138 Å²	138	68%	0.675	71%	0.705	S	S	*	*			trans	-77.4	77.3	174.9	-63.1	-178.6	83.2	0	0	110	L151 A155	L151-M153 PolarHBondContact O-N 3.38Å; L151-M153 VanDerWaalsContact O-N 3.08Å; M153-A155 PolarHBondContact O-N 2.84Å
154	R	42.4	Very low	45.8	Very low	252 Å²	252	138.3 Å²	138.3	95%	0.951	72%	0.717	S	S	*	*			trans	-68	75.6	160.2	-79.8	-172.8	-169.3	176.1	4.1	109.2	G152	G152-R154 VanDerWaalsContact C-N 3.27Å; G152-R154 PolarHBondContact O-N 3.02Å
155	A	42.9	Very low	45.5	Very low	85 Å²	85	142.9 Å²	142.9	70%	0.702	74%	0.737	S	S	*	*			trans	-166.2	58.1	167.1	0	0	0	0	0	110.4	M153	M153-A155 PolarHBondContact O-N 2.84Å
156	W	45.4	Very low	45.1	Very low	222 Å²	222	144.7 Å²	144.7	84%	0.841	75%	0.745	S	S	*	*	S	Bend	trans	-145.9	46	164	-137.2	80.5	0	0	0	111.2
157	H	38.3	Very low	44.6	Very low	188 Å²	188	150.1 Å²	150.1	87%	0.87	76%	0.761	S	S	*	*	S	Bend	trans	-148.3	59.8	173.9	-114.9	-83.3	0	0	0	109.9
158	E	44.6	Very low	44.8	Very low	188 Å²	188	153.7 Å²	153.7	88%	0.879	80%	0.797	S	S	*	*	S	Bend	trans	-152.2	5.7	168.5	-129.6	146.2	-156.4	0	0	116.6
159	T	45.4	Very low	44.7	Very low	127 Å²	127	156.5 Å²	156.5	78%	0.779	81%	0.812	S	S	*	*	S	Bend	trans	-135.2	60.8	178.4	47.2	0	0	0	0	112
160	N	44.3	Very low	44.5	Very low	149 Å²	149	158.2 Å²	158.2	80%	0.797	82%	0.815	S	S	*	*			trans	-144.5	66	152.9	-99.6	-22.8	0	0	0	109.1	Y162	N160-Y162 VanDerWaalsContact C-N 3.28Å; N160-Y162 PolarHBondContact O-N 3.34Å
161	K	47.5	Very low	44.3	Very low	194 Å²	194	157.8 Å²	157.8	84%	0.843	82%	0.817	S	S	*	*			trans	-94.4	52.7	169.1	-123.5	-170.1	-171.5	179.2	0	109.2
162	Y	47.5	Very low	44	Very low	215 Å²	215	161.8 Å²	161.8	84%	0.843	84%	0.838	S	S	*	*	S	Bend	trans	-145.3	109.9	169.2	-72.8	-73.5	0	0	0	109.9	N160	N160-Y162 VanDerWaalsContact C-N 3.28Å; N160-Y162 PolarHBondContact O-N 3.34Å
163	A	39	Very low	44.2	Very low	89 Å²	89	167.7 Å²	167.7	74%	0.736	85%	0.846	S	S	*	*			trans	60.7	86.3	139.4	0	0	0	0	0	117.4
164	A	38.4	Very low	43.8	Very low	112 Å²	112	169.7 Å²	169.7	93%	0.926	86%	0.858	S	S	*	*			trans	-107.2	91.7	135.7	0	0	0	0	0	107.5
165	I	46	Very low	43.9	Very low	143 Å²	143	163.9 Å²	163.9	73%	0.733	85%	0.851	S	S	*	*			trans	-91.2	116.7	154.3	-61.3	168.3	0	0	0	103.8
166	F	44.7	Very low	44	Very low	192 Å²	192	169.9 Å²	169.9	84%	0.842	86%	0.863	S	S	*	*				-179.1	142.3	129.7	-115.5	-89.9	0	0	0	110
167	E	40.5	Very low	43.8	Very low	172 Å²	172	165.6 Å²	165.6	80%	0.804	86%	0.864	S	S	*	*			trans	-66.4	146.7	-170.6	-60.1	175.6	147.7	0	0	113.7
168	V	50.1	Low	44.4	Very low	218 Å²	218	163.5 Å²	163.5	100%	1.321	86%	0.864	S	S	*	*				-142.7	0	100.8	-146.5	0	0	0	0	108.8

Retrieved 168 of 168 residues in 173.2 ms (Link to these results)

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