A0A077Z3I9_TRITR Loading...

Cyt-b5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3I9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 aa.

						>A0A077Z3I9_TRITR|A0A077Z3I9
MLSRLTGCCFPQKSLHQSPETPRKNKVGPQVNLKDWFDYVENAKDPAGTKGRIVPVTENVLAQHTTDSHWLALRGSVYCVTEFMNFHPGGKDRIHMGVGHDASMLFNIYHAHIDYDAILHRCYVGPLIRDTSKGNPLAAFD
					

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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	54.6	Low	47.8	Very low	252 Å²	252	153.2 Å²	153.2	100%	1.241	86%	0.861	S	S	*	*				0	111.2	0	-81.3	179.4	173.6	0	0	108.2
2	L	40.8	Very low	47.4	Very low	174 Å²	174	155.9 Å²	155.9	91%	0.911	86%	0.862	S	S	*	*			trans	-80	138.2	176.9	-79.3	146.2	0	0	0	110.5
3	S	45.6	Very low	47.4	Very low	101 Å²	101	160 Å²	160	71%	0.706	87%	0.866	S	S	*	*			trans	174.5	139.3	147.9	-85.5	0	0	0	0	108.1
4	R	47.9	Very low	47.4	Very low	212 Å²	212	155.6 Å²	155.6	80%	0.8	85%	0.853	S	S	*	*			cis	-166	126.5	2.9	-98.6	156.6	-176.9	-108.5	1	104
5	L	49.7	Very low	47.1	Very low	155 Å²	155	157 Å²	157	81%	0.812	86%	0.858	S	S	*	*				52.8	118.3	102.1	-62.9	175.8	0	0	0	115.2
6	T	55.5	Low	47.5	Very low	141 Å²	141	158 Å²	158	87%	0.865	85%	0.854	S	S	*	*				170.6	118.2	107.6	36.6	0	0	0	0	109.4
7	G	46.8	Very low	47.2	Very low	73 Å²	73	160.2 Å²	160.2	75%	0.753	86%	0.858	S	S	*	*				96.8	123.3	107.3	0	0	0	0	0	109.7
8	C	45.3	Very low	47.3	Very low	134 Å²	134	156.9 Å²	156.9	91%	0.905	85%	0.849	S	S	*	*				-156	154.8	57.7	-73.1	0	0	0	0	112.5
9	C	41.6	Very low	47.1	Very low	121 Å²	121	154.5 Å²	154.5	82%	0.818	84%	0.843	S	S	*	*			trans	-76.9	131.6	-175.2	-163.2	0	0	0	0	112.1
10	F	43.8	Very low	47	Very low	203 Å²	203	155.2 Å²	155.2	89%	0.89	84%	0.84	S	S	*	*			trans	-107.1	119.4	164.5	-96.1	-90.6	0	0	0	109.2
11	P	54	Low	47	Very low	119 Å²	119	153.2 Å²	153.2	77%	0.773	83%	0.833	S	S	*	*			trans	-89.4	128.5	164.6	30.1	-27.2	0	0	0	111.4
12	Q	43	Very low	46.6	Very low	186 Å²	186	147 Å²	147	87%	0.869	81%	0.811	S	S	*	*			trans	-91.6	132.2	174.9	-164.3	178.2	-70.8	0	0	109.8
13	K	47.4	Very low	46.8	Very low	209 Å²	209	148.9 Å²	148.9	91%	0.909	81%	0.806	S	S	*	*			trans	165.2	136.6	160.7	-90.6	153.8	-163.5	-163.8	0	106.5
14	S	47.7	Very low	46.6	Very low	99 Å²	99	153.3 Å²	153.3	69%	0.692	81%	0.813	S	S	*	*			cis	-160.5	132.3	14.8	170.2	0	0	0	0	106.1	H16	S14-H16 PolarHBondContact O-N 3.44Å
15	L	43.3	Very low	46.6	Very low	176 Å²	176	150 Å²	150	92%	0.921	81%	0.811	S	S	*	*			trans	-79.3	96.5	174.2	-78.8	161.9	0	0	0	108.8
16	H	52.5	Low	46.2	Very low	173 Å²	173	152.3 Å²	152.3	80%	0.801	82%	0.815	S	S	*	*			trans	-100.9	111.8	156.7	-100.4	46.2	0	0	0	107.7	S14 S18	S14-H16 PolarHBondContact O-N 3.44Å; H16-S18 PolarHBondContact O-N 3.07Å
17	Q	42.4	Very low	45.9	Very low	195 Å²	195	151 Å²	151	91%	0.911	81%	0.806	S	S	*	*			trans	-65.4	110.3	175.7	-71.8	169.4	-59.6	0	0	109
18	S	50.4	Low	46.2	Very low	102 Å²	102	149.7 Å²	149.7	71%	0.713	79%	0.793	S	S	*	*			trans	-85.9	141.7	168.4	-151	0	0	0	0	108.7	H16 E20	H16-S18 PolarHBondContact O-N 3.07Å; S18-E20 PolarHBondContact O-N 3.27Å
19	P	43.4	Very low	46.9	Very low	111 Å²	111	149.1 Å²	149.1	72%	0.721	79%	0.788	S	S	*	*			trans	-64.8	128.2	-174.5	25.1	-31.7	0	0	0	111.2	T21	P19-T21 PolarHBondContact O-N 2.67Å
20	E	44.7	Very low	47.8	Very low	168 Å²	168	151.7 Å²	151.7	79%	0.785	79%	0.787	S	S	*	*			trans	-56.5	101.6	175.8	-60.4	-86.4	153.1	0	0	109.6	S18	S18-E20 PolarHBondContact O-N 3.27Å
21	T	47.6	Very low	49.5	Very low	114 Å²	114	144.1 Å²	144.1	70%	0.699	76%	0.758	S	S	*	*			trans	-73.6	142.8	166.3	44	0	0	0	0	108.7	P19 R23	P19-T21 PolarHBondContact O-N 2.67Å; T21-R23 PolarHBondContact O-N 2.96Å
22	P	44.6	Very low	51	Low	120 Å²	120	141.8 Å²	141.8	78%	0.779	74%	0.739	S	S	*	*			trans	-57.4	114.5	177.9	-19.8	30.2	0	0	0	109.2	K24	P22-K24 VanDerWaalsContact C-N 3.32Å; P22-K24 PolarHBondContact O-N 2.85Å
23	R	45.7	Very low	53.3	Low	214 Å²	214	135.8 Å²	135.8	81%	0.808	71%	0.712	S	S	*	*			trans	-60.8	96.5	173	-82.7	-176.9	-95.3	167.7	-6.6	107.7	T21 N25	T21-R23 PolarHBondContact O-N 2.96Å; R23-N25 PolarHBondContact O-N 2.78Å; R23-N25 PolarHBondContact O-OD1 3.22Å
24	K	41.8	Very low	55.5	Low	194 Å²	194	132.1 Å²	132.1	84%	0.843	70%	0.696	S	S	*	*			trans	-59.4	108.5	162.1	-76.3	-178.8	178.4	177.6	0	106	P22 K26	P22-K24 VanDerWaalsContact C-N 3.32Å; P22-K24 PolarHBondContact O-N 2.85Å; K24-K26 PolarHBondContact O-N 3.28Å
25	N	47.7	Very low	57.7	Low	144 Å²	144	130.9 Å²	130.9	77%	0.77	68%	0.682	S	S	*	*			trans	-55.1	102.2	173.3	-59.5	-13.5	0	0	0	107.1	R23 V27	R23-N25 PolarHBondContact O-N 2.78Å; R23-N25 PolarHBondContact O-OD1 3.22Å; N25-V27 PolarHBondContact O-N 3.15Å
26	K	41.8	Very low	60.3	Low	203 Å²	203	122.5 Å²	122.5	88%	0.883	64%	0.638	S	S	*	*			trans	-68.4	92.8	168	-76.1	-174.4	177.8	-178.2	0	105.5	K24 G28	K24-K26 PolarHBondContact O-N 3.28Å; K26-G28 PolarHBondContact O-N 2.81Å; K26-G28 VanDerWaalsContact O-N 3.08Å
27	V	47.9	Very low	62.4	Low	112 Å²	112	117.7 Å²	117.7	68%	0.679	62%	0.615	S	S	*	*			trans	-57.1	115.6	163.8	-173.7	0	0	0	0	104.3	N25 Q30	N25-V27 PolarHBondContact O-N 3.15Å; V27-Q30 HydrophobicContact CG1-CG 4.22Å
28	G	54.2	Low	64.9	Low	46 Å²	46	112.1 Å²	112.1	47%	0.474	59%	0.592	S	S	.	*			trans	-54.8	167.2	171.3	0	0	0	0	0	110	K26 Q30	K26-G28 PolarHBondContact O-N 2.81Å; K26-G28 VanDerWaalsContact O-N 3.08Å; G28-Q30 PolarHBondContact O-N 3.45Å
29	P	59.6	Low	67.1	Low	123 Å²	123	111.4 Å²	111.4	80%	0.799	57%	0.574	S	S	*	*	S	Bend	trans	-47	121.7	174	18.9	-29	0	0	0	108.6	V31	P29-V31 WeakPolarHBondContact O-CG2 3.43Å; P29-V31 PolarHBondContact O-N 2.97Å
30	Q	61.1	Low	69.6	Low	174 Å²	174	106.1 Å²	106.1	81%	0.813	54%	0.539	S	S	*	.			trans	-61.2	106.7	-177.8	-70.3	179.5	1.1	0	0	107	V27 G28	V27-Q30 HydrophobicContact CG1-CG 4.22Å; G28-Q30 PolarHBondContact O-N 3.45Å
31	V	78.9	Confident	72.1	Confident	44 Å²	44	103 Å²	103	27%	0.267	53%	0.525	S	S	.	.			trans	-80.4	128	176.5	-163.7	0	0	0	0	107.6	P29 F86	P29-V31 WeakPolarHBondContact O-CG2 3.43Å; P29-V31 PolarHBondContact O-N 2.97Å; V31-F86 VanDerWaalsContact CG1-CA 3.44Å; V31-F86 HydrophobicContact CG1-CB 3.86Å; V31-F86 HydrophobicContact CG1-CD1 3.72Å; V31-F86 HydrophobicContact CG1-CG 4.16Å
32	N	84.9	Confident	74.4	Confident	70 Å²	70	104.2 Å²	104.2	37%	0.374	53%	0.527	S	S	.	.			trans	-102.6	154.2	175.5	67.5	66.5	0	0	0	109.1	K34 D35	N32-K34 PolarHBondContact O-N 3.36Å; N32-K34 WeakPolarHBondContact OD1-CA 3.34Å; N32-K34 WeakPolarHBondContact OD1-CB 3.3Å; N32-K34 PolarHBondContact OD1-N 3.42Å; N32-D35 PolarHBondContact ND2-OD2 3.37Å; N32-D35 PolarHBondContact O-N 3.06Å; N32-D35 PolarHBondContact OD1-N 2.85Å; N32-D35 PolarHBondContact OD1-OD2 2.85Å
33	L	91.7	Very high	76.8	Confident	61 Å²	61	99.4 Å²	99.4	32%	0.319	50%	0.497	S	S	.	.	H	α-helix	trans	-68.2	-19.9	179.3	-70.4	176.3	0	0	0	112.8	W36 F37 F83 P88 I118	L33-W36 WeakPolarHBondContact O-CB 3.18Å; L33-W36 PolarHBondContact O-N 2.81Å; L33-F37 HydrophobicContact CB-CD2 4.33Å; L33-F37 HydrophobicContact CB-CE2 4.04Å; L33-F37 WeakPolarHBondContact O-CD2 3.32Å; L33-F37 PolarHBondContact O-N 2.9Å; L33-F83 HydrophobicContact CD2-CE2 4.23Å; L33-P88 HydrophobicContact CD2-CG 4.23Å; L33-P88 HydrophobicContact CG-CG 4.36Å; L33-I118 HydrophobicContact CD1-CD1 4.24Å
34	K	93.6	Very high	79.2	Confident	132 Å²	132	99.2 Å²	99.2	57%	0.574	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-44.8	176.8	-177.3	-169.3	175.7	-62.7	0	110.7	N32 W36 F37 D38	N32-K34 PolarHBondContact O-N 3.36Å; N32-K34 WeakPolarHBondContact OD1-CA 3.34Å; N32-K34 WeakPolarHBondContact OD1-CB 3.3Å; N32-K34 PolarHBondContact OD1-N 3.42Å; K34-W36 PolarHBondContact O-N 3.32Å; K34-F37 PolarHBondContact O-N 2.75Å; K34-F37 VanDerWaalsContact O-N 3.14Å; K34-D38 IonicContact NZ-OD1 2.66Å; K34-D38 IonicContact NZ-OD2 2.65Å; K34-D38 PolarHBondContact NZ-OD2 3.3Å; K34-D38 PolarHBondContact O-N 2.78Å
35	D	94.7	Very high	81.7	Confident	72 Å²	72	92.6 Å²	92.6	39%	0.385	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-34.8	177.1	-61.5	-24.1	0	0	0	111.4	N32 Y39 F86	N32-D35 PolarHBondContact ND2-OD2 3.37Å; N32-D35 PolarHBondContact O-N 3.06Å; N32-D35 PolarHBondContact OD1-N 2.85Å; N32-D35 PolarHBondContact OD1-OD2 2.85Å; D35-Y39 VanDerWaalsContact O-CB 3.31Å; D35-Y39 WeakPolarHBondContact O-CB 3.44Å; D35-Y39 PolarHBondContact O-N 3.12Å; D35-F86 HydrophobicContact CB-CD1 4.26Å; D35-F86 HydrophobicContact CB-CE1 4.18Å
36	W	96.1	Very high	83.9	Confident	0 Å²	0	86.4 Å²	86.4	0%	0	44%	0.444	C	S	.	.	H	α-helix	trans	-63	-49.1	171.4	167.1	-116.1	0	0	0	112.1	L33 K34 D38 Y39 V40 E82 F83 F86 I118	L33-W36 WeakPolarHBondContact O-CB 3.18Å; L33-W36 PolarHBondContact O-N 2.81Å; K34-W36 PolarHBondContact O-N 3.32Å; W36-D38 PolarHBondContact O-N 2.94Å; W36-Y39 AromaticContact CE3-CD1 3.98Å; W36-Y39 HydrophobicContact CE3-CD1 3.98Å; W36-Y39 AromaticContact CZ3-CD1 3.67Å; W36-Y39 HydrophobicContact CZ3-CD1 3.67Å; W36-Y39 HydrophobicContact CZ3-CE1 4.09Å; W36-Y39 PolarHBondContact O-N 3.36Å; W36-V40 HydrophobicContact CD2-CB 4.12Å; W36-V40 HydrophobicContact CD2-CG1 4.47Å; W36-V40 HydrophobicContact CE3-CB 4.18Å; W36-V40 HydrophobicContact CH2-CB 3.75Å; W36-V40 HydrophobicContact CH2-CG2 3.48Å; W36-V40 VanDerWaalsContact CH2-CG2 3.48Å; W36-V40 HydrophobicContact CZ2-CB 3.66Å; W36-V40 HydrophobicContact CZ2-CG1 4.21Å; W36-V40 HydrophobicContact CZ2-CG2 3.44Å; W36-V40 VanDerWaalsContact CZ2-CG2 3.44Å; W36-V40 HydrophobicContact CZ3-CB 4.01Å; W36-V40 HydrophobicContact CZ3-CG2 4.19Å; W36-V40 WeakPolarHBondContact O-CB 3.22Å; W36-V40 WeakPolarHBondContact O-CG1 3.43Å; W36-V40 PolarHBondContact O-N 3.27Å; W36-E82 HydrophobicContact CZ3-CB 4.18Å; W36-F83 AromaticContact CD1-CE2 3.98Å; W36-F83 AromaticContact CD2-CD2 3.58Å; W36-F83 HydrophobicContact CD2-CD2 3.58Å; W36-F83 HydrophobicContact CD2-CE2 4.17Å; W36-F83 AromaticContact CE2-CD2 3.57Å; W36-F83 AromaticContact CE3-CD2 3.99Å; W36-F83 HydrophobicContact CE3-CD2 3.99Å; W36-F83 AromaticContact CG-CD2 3.92Å; W36-F83 HydrophobicContact CG-CD2 3.92Å; W36-F83 HydrophobicContact CG-CE2 4.02Å; W36-F83 HydrophobicContact CH2-CB 3.92Å; W36-F83 HydrophobicContact CH2-CD2 4.33Å; W36-F83 HydrophobicContact CZ2-CB 4.18Å; W36-F83 AromaticContact CZ2-CD2 3.96Å; W36-F83 HydrophobicContact CZ2-CD2 3.96Å; W36-F83 HydrophobicContact CZ2-CG 4.41Å; W36-F83 HydrophobicContact CZ3-CB 4.13Å; W36-F83 HydrophobicContact CZ3-CD2 4.35Å; W36-F83 AromaticContact NE1-CD2 3.9Å; W36-F86 HydrophobicContact CB-CB 3.79Å; W36-F86 HydrophobicContact CB-CD1 4.04Å; W36-F86 HydrophobicContact CB-CG 4.01Å; W36-F86 HydrophobicContact CD2-CB 4.49Å; W36-F86 HydrophobicContact CE3-CB 4.2Å; W36-F86 AromaticContact CE3-CD2 3.65Å; W36-F86 HydrophobicContact CE3-CD2 3.65Å; W36-F86 HydrophobicContact CE3-CE2 4.15Å; W36-F86 AromaticContact CE3-CG 3.94Å; W36-F86 HydrophobicContact CE3-CG 3.94Å; W36-F86 HydrophobicContact CG-CB 4.36Å; W36-F86 HydrophobicContact CZ3-CD2 4.19Å; W36-I118 PolarHBondContact NE1-O 3.15Å
37	F	96.6	Very high	86.5	Confident	72 Å²	72	76.9 Å²	76.9	32%	0.316	40%	0.403	S	S	.	.	H	α-helix	trans	-61.8	-44.9	179.2	-72.7	-60.8	0	0	0	111.3	L33 K34 Y39 V40 E41 I118	L33-F37 HydrophobicContact CB-CD2 4.33Å; L33-F37 HydrophobicContact CB-CE2 4.04Å; L33-F37 WeakPolarHBondContact O-CD2 3.32Å; L33-F37 PolarHBondContact O-N 2.9Å; K34-F37 PolarHBondContact O-N 2.75Å; K34-F37 VanDerWaalsContact O-N 3.14Å; F37-Y39 VanDerWaalsContact C-N 3.29Å; F37-Y39 PolarHBondContact O-N 3.38Å; F37-V40 PolarHBondContact O-N 2.81Å; F37-E41 WeakPolarHBondContact O-CB 3.34Å; F37-E41 VanDerWaalsContact O-CG 3.24Å; F37-E41 WeakPolarHBondContact O-CG 3.22Å; F37-E41 PolarHBondContact O-N 3.04Å; F37-I118 HydrophobicContact CZ-CG1 4.23Å
38	D	96.1	Very high	88.7	Confident	79 Å²	79	74.2 Å²	74.2	42%	0.422	40%	0.398	S	S	.	.	H	α-helix	trans	-59.7	-40.8	175.9	-68.5	-23.8	0	0	0	111.5	K34 W36 N42	K34-D38 IonicContact NZ-OD1 2.66Å; K34-D38 IonicContact NZ-OD2 2.65Å; K34-D38 PolarHBondContact NZ-OD2 3.3Å; K34-D38 PolarHBondContact O-N 2.78Å; W36-D38 PolarHBondContact O-N 2.94Å; D38-N42 PolarHBondContact O-ND2 2.91Å
39	Y	96.6	Very high	90.6	Very high	86 Å²	86	72.9 Å²	72.9	34%	0.337	38%	0.381	S	S	.	.	H	α-helix	trans	-66	-54.1	176	175.7	-94.3	0	0	0	112.2	D35 W36 F37 E41 N42 A43 E82 F86	D35-Y39 VanDerWaalsContact O-CB 3.31Å; D35-Y39 WeakPolarHBondContact O-CB 3.44Å; D35-Y39 PolarHBondContact O-N 3.12Å; W36-Y39 AromaticContact CE3-CD1 3.98Å; W36-Y39 HydrophobicContact CE3-CD1 3.98Å; W36-Y39 AromaticContact CZ3-CD1 3.67Å; W36-Y39 HydrophobicContact CZ3-CD1 3.67Å; W36-Y39 HydrophobicContact CZ3-CE1 4.09Å; W36-Y39 PolarHBondContact O-N 3.36Å; F37-Y39 VanDerWaalsContact C-N 3.29Å; F37-Y39 PolarHBondContact O-N 3.38Å; Y39-E41 VanDerWaalsContact C-N 3.31Å; Y39-E41 PolarHBondContact O-N 3.01Å; Y39-N42 CarbonylContact O-C 3.5Å; Y39-N42 PolarHBondContact O-N 3.13Å; Y39-N42 VanDerWaalsContact O-N 3.12Å; Y39-A43 HydrophobicContact CE1-CB 4.37Å; Y39-A43 PolarHBondContact O-N 2.77Å; Y39-E82 HydrophobicContact CE1-CB 3.72Å; Y39-E82 HydrophobicContact CE1-CG 3.97Å; Y39-E82 VanDerWaalsContact OH-CD 3.23Å; Y39-E82 WeakPolarHBondContact OH-CG 3.37Å; Y39-E82 PolarHBondContact OH-OE2 3.16Å; Y39-F86 HydrophobicContact CD1-CE2 4.01Å; Y39-F86 HydrophobicContact CD1-CZ 4.23Å; Y39-F86 HydrophobicContact CD2-CE2 4.43Å; Y39-F86 HydrophobicContact CD2-CZ 4.04Å; Y39-F86 HydrophobicContact CE1-CE2 4.43Å; Y39-F86 HydrophobicContact CG-CE2 4.01Å; Y39-F86 AromaticContact CG-CZ 3.75Å; Y39-F86 HydrophobicContact CG-CZ 3.75Å
40	V	96.4	Very high	92.3	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-67.5	-35.1	-169.4	78.6	0	0	0	0	111.2	W36 F37 N42 A43 P46 R121	W36-V40 HydrophobicContact CD2-CB 4.12Å; W36-V40 HydrophobicContact CD2-CG1 4.47Å; W36-V40 HydrophobicContact CE3-CB 4.18Å; W36-V40 HydrophobicContact CH2-CB 3.75Å; W36-V40 HydrophobicContact CH2-CG2 3.48Å; W36-V40 VanDerWaalsContact CH2-CG2 3.48Å; W36-V40 HydrophobicContact CZ2-CB 3.66Å; W36-V40 HydrophobicContact CZ2-CG1 4.21Å; W36-V40 HydrophobicContact CZ2-CG2 3.44Å; W36-V40 VanDerWaalsContact CZ2-CG2 3.44Å; W36-V40 HydrophobicContact CZ3-CB 4.01Å; W36-V40 HydrophobicContact CZ3-CG2 4.19Å; W36-V40 WeakPolarHBondContact O-CB 3.22Å; W36-V40 WeakPolarHBondContact O-CG1 3.43Å; W36-V40 PolarHBondContact O-N 3.27Å; F37-V40 PolarHBondContact O-N 2.81Å; V40-N42 VanDerWaalsContact C-N 3.26Å; V40-N42 PolarHBondContact O-N 2.84Å; V40-A43 WeakPolarHBondContact O-CB 3.49Å; V40-A43 PolarHBondContact O-N 3.42Å; V40-P46 HydrophobicContact CG2-CB 4.31Å; V40-P46 HydrophobicContact CG2-CG 3.95Å; V40-R121 HydrophobicContact CG2-CB 3.65Å; V40-R121 HydrophobicContact CG2-CG 4.13Å; V40-R121 VanDerWaalsContact O-CD 3.3Å; V40-R121 WeakPolarHBondContact O-CD 3.41Å; V40-R121 PolarHBondContact O-NE 3.42Å; V40-R121 PolarHBondContact O-NH1 3.46Å
41	E	95.8	Very high	93.7	Very high	102 Å²	102	71 Å²	71	48%	0.477	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-29.7	176	-70.1	-54.3	152	0	0	112.8	F37 Y39 H120 R121	F37-E41 WeakPolarHBondContact O-CB 3.34Å; F37-E41 VanDerWaalsContact O-CG 3.24Å; F37-E41 WeakPolarHBondContact O-CG 3.22Å; F37-E41 PolarHBondContact O-N 3.04Å; Y39-E41 VanDerWaalsContact C-N 3.31Å; Y39-E41 PolarHBondContact O-N 3.01Å; E41-H120 IonicContact OE1-CE1 3.94Å; E41-H120 PolarHBondContact OE1-CE1 3.38Å; E41-H120 VanDerWaalsContact OE1-CE1 3.28Å; E41-H120 IonicContact OE1-NE2 3.8Å; E41-H120 PolarHBondContact OE1-NE2 2.8Å; E41-H120 VanDerWaalsContact OE1-NE2 3.15Å; E41-R121 VanDerWaalsContact C-NH1 3.3Å; E41-R121 PolarHBondContact O-NH1 3.05Å
42	N	96.2	Very high	94.5	Very high	141 Å²	141	77.9 Å²	77.9	75%	0.754	40%	0.4	S	S	*	.	H	α-helix	trans	-96	-10.4	178.8	-69.2	-74.3	0	0	0	113.5	D38 Y39 V40	D38-N42 PolarHBondContact O-ND2 2.91Å; Y39-N42 CarbonylContact O-C 3.5Å; Y39-N42 PolarHBondContact O-N 3.13Å; Y39-N42 VanDerWaalsContact O-N 3.12Å; V40-N42 VanDerWaalsContact C-N 3.26Å; V40-N42 PolarHBondContact O-N 2.84Å
43	A	95.7	Very high	95.1	Very high	18 Å²	18	80.2 Å²	80.2	15%	0.149	41%	0.411	C	S	.	.			trans	-62.4	145.1	176.5	0	0	0	0	0	110.4	Y39 V40 P46 R121	Y39-A43 HydrophobicContact CE1-CB 4.37Å; Y39-A43 PolarHBondContact O-N 2.77Å; V40-A43 WeakPolarHBondContact O-CB 3.49Å; V40-A43 PolarHBondContact O-N 3.42Å; A43-P46 HydrophobicContact CB-CB 4.1Å; A43-P46 HydrophobicContact CB-CG 4.04Å; A43-R121 PolarHBondContact O-NH1 3.35Å; A43-R121 PolarHBondContact O-NH2 2.83Å
44	K	94.8	Very high	95.3	Very high	210 Å²	210	79.8 Å²	79.8	91%	0.913	41%	0.411	S	S	*	.	S	Bend	trans	-74.3	-47.2	179.6	-175.7	177.7	177.8	-179.7	0	112.3
45	D	95.2	Very high	95.5	Very high	56 Å²	56	77.6 Å²	77.6	30%	0.299	41%	0.41	S	S	.	.			trans	-157.3	74	-175.8	-178.7	17	0	0	0	109.6	A47 G48 T49 K50	D45-A47 PolarHBondContact O-N 2.87Å; D45-G48 PolarHBondContact O-N 3.45Å; D45-G48 PolarHBondContact OD1-N 2.81Å; D45-G48 VanDerWaalsContact OD2-C 3.22Å; D45-G48 WeakPolarHBondContact OD2-CA 3.24Å; D45-T49 PolarHBondContact OD1-N 3.42Å; D45-T49 PolarHBondContact OD2-N 3.4Å; D45-K50 WeakPolarHBondContact OD2-CA 3.39Å; D45-K50 PolarHBondContact OD2-N 3.3Å
46	P	94.3	Very high	95.6	Very high	13 Å²	13	74.2 Å²	74.2	8%	0.084	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.7	-175.8	25.7	-31.1	0	0	0	112.8	V40 A43 R121	V40-P46 HydrophobicContact CG2-CB 4.31Å; V40-P46 HydrophobicContact CG2-CG 3.95Å; A43-P46 HydrophobicContact CB-CB 4.1Å; A43-P46 HydrophobicContact CB-CG 4.04Å; P46-R121 HydrophobicContact CG-CB 3.67Å; P46-R121 WeakPolarHBondContact CG-O 3.46Å
47	A	96.2	Very high	95.6	Very high	4 Å²	4	76.3 Å²	76.3	3%	0.033	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-26.5	170.6	0	0	0	0	0	113	D45 T49 Y123	D45-A47 PolarHBondContact O-N 2.87Å; A47-T49 HydrophobicContact CB-CG2 4.08Å; A47-T49 PolarHBondContact O-N 2.99Å; A47-Y123 WeakPolarHBondContact CB-O 3.42Å
48	G	94.5	Very high	95.6	Very high	55 Å²	55	77.9 Å²	77.9	57%	0.567	41%	0.413	S	S	*	.	S	Bend	trans	72.3	13.6	-175.7	0	0	0	0	0	114	D45	D45-G48 PolarHBondContact O-N 3.45Å; D45-G48 PolarHBondContact OD1-N 2.81Å; D45-G48 VanDerWaalsContact OD2-C 3.22Å; D45-G48 WeakPolarHBondContact OD2-CA 3.24Å
49	T	93.9	Very high	95.6	Very high	19 Å²	19	79.4 Å²	79.4	12%	0.117	42%	0.421	C	S	.	.	S	Bend	trans	-96.3	2	-173.4	63.7	0	0	0	0	113.6	D45 A47 G51 R52 V54 V124	D45-T49 PolarHBondContact OD1-N 3.42Å; D45-T49 PolarHBondContact OD2-N 3.4Å; A47-T49 HydrophobicContact CB-CG2 4.08Å; A47-T49 PolarHBondContact O-N 2.99Å; T49-G51 PolarHBondContact O-N 3.12Å; T49-R52 WeakPolarHBondContact CB-O 3.47Å; T49-R52 WeakPolarHBondContact O-CB 3.24Å; T49-R52 PolarHBondContact O-N 2.93Å; T49-R52 PolarHBondContact OG1-O 3.46Å; T49-V54 HydrophobicContact CG2-CG2 4.32Å; T49-V124 HydrophobicContact CG2-CB 4.3Å; T49-V124 HydrophobicContact CG2-CG1 3.97Å; T49-V124 HydrophobicContact CG2-CG2 4.2Å
50	K	94.5	Very high	95.6	Very high	184 Å²	184	77.7 Å²	77.7	80%	0.8	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	37.4	-175.7	-55	176.7	-177.4	175.2	0	112	D45 R52	D45-K50 WeakPolarHBondContact OD2-CA 3.39Å; D45-K50 PolarHBondContact OD2-N 3.3Å; K50-R52 VanDerWaalsContact C-N 3.3Å; K50-R52 PolarHBondContact O-N 3.35Å
51	G	91.6	Very high	95.6	Very high	74 Å²	74	77.9 Å²	77.9	76%	0.763	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	10.5	-179.2	0	0	0	0	0	115	T49	T49-G51 PolarHBondContact O-N 3.12Å
52	R	95.6	Very high	95.7	Very high	187 Å²	187	75.2 Å²	75.2	71%	0.706	42%	0.416	S	S	*	.			trans	-90.9	141.6	176.9	-61.7	-179.7	178.5	-178.8	-1.7	110.8	T49 K50 V54	T49-R52 WeakPolarHBondContact CB-O 3.47Å; T49-R52 WeakPolarHBondContact O-CB 3.24Å; T49-R52 PolarHBondContact O-N 2.93Å; T49-R52 PolarHBondContact OG1-O 3.46Å; K50-R52 VanDerWaalsContact C-N 3.3Å; K50-R52 PolarHBondContact O-N 3.35Å; R52-V54 HydrophobicContact CB-CG2 4.37Å
53	I	96.8	Very high	95.7	Very high	119 Å²	119	74.6 Å²	74.6	61%	0.61	41%	0.409	S	S	*	.			trans	-86.4	121.4	165.1	-60.7	177.4	0	0	0	107.4	Y123 V124	I53-Y123 HydrophobicContact CD1-CE1 4.46Å; I53-Y123 HydrophobicContact CG1-CE1 4.35Å; I53-Y123 HydrophobicContact CG2-CE1 4.13Å; I53-V124 WeakPolarHBondContact CA-O 3.3Å
54	V	96	Very high	95.8	Very high	52 Å²	52	75.6 Å²	75.6	32%	0.315	41%	0.41	S	S	.	.			trans	-113	113.9	-174.7	-177	0	0	0	0	109	T49 R52 V56 V124 G125	T49-V54 HydrophobicContact CG2-CG2 4.32Å; R52-V54 HydrophobicContact CB-CG2 4.37Å; V54-V56 HydrophobicContact CG1-CG2 4.49Å; V54-V56 WeakPolarHBondContact O-CG2 3.23Å; V54-V56 PolarHBondContact O-N 3.04Å; V54-V124 HydrophobicContact CB-CG1 4.15Å; V54-V124 PolarHBondContact N-O 3.08Å; V54-G125 WeakPolarHBondContact O-CA 2.93Å
55	P	97	Very high	95.7	Very high	87 Å²	87	68 Å²	68	57%	0.565	38%	0.382	S	S	*	.			trans	-62.1	124	167.1	-20.8	33.2	0	0	0	110.1	P126 I128	P55-P126 HydrophobicContact CB-CG 4.36Å; P55-I128 HydrophobicContact CB-CD1 4.1Å; P55-I128 HydrophobicContact CB-CG1 3.73Å
56	V	97.1	Very high	95.4	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.5	-173	-172.4	0	0	0	0	109.1	V54 V60 L61 W70 V77 V124 P126 L127 I128	V54-V56 HydrophobicContact CG1-CG2 4.49Å; V54-V56 WeakPolarHBondContact O-CG2 3.23Å; V54-V56 PolarHBondContact O-N 3.04Å; V56-V60 HydrophobicContact CG1-CB 3.98Å; V56-V60 HydrophobicContact CG1-CG1 3.87Å; V56-L61 HydrophobicContact CG1-CB 3.97Å; V56-W70 HydrophobicContact CG1-CE3 4.29Å; V56-W70 HydrophobicContact CG1-CZ3 4.21Å; V56-W70 HydrophobicContact CG2-CE3 4.42Å; V56-W70 HydrophobicContact CG2-CZ3 3.94Å; V56-V77 HydrophobicContact CB-CB 4.45Å; V56-V77 HydrophobicContact CB-CG2 3.87Å; V56-V77 HydrophobicContact CG1-CG1 4.5Å; V56-V77 HydrophobicContact CG1-CG2 4.26Å; V56-V77 HydrophobicContact CG2-CB 4.09Å; V56-V77 HydrophobicContact CG2-CG1 4.16Å; V56-V77 HydrophobicContact CG2-CG2 4.05Å; V56-V124 HydrophobicContact CG2-CG1 3.81Å; V56-P126 PolarHBondContact N-O 2.89Å; V56-L127 CarbonylContact O-C 3.55Å; V56-L127 WeakPolarHBondContact O-CA 3.11Å; V56-I128 PolarHBondContact O-N 2.84Å
57	T	97.2	Very high	95.2	Very high	45 Å²	45	77.2 Å²	77.2	28%	0.276	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	161.5	169.4	63	0	0	0	0	110.8	N59 V60 L61 I128	T57-N59 PolarHBondContact O-N 3.2Å; T57-V60 PolarHBondContact O-N 2.8Å; T57-V60 WeakPolarHBondContact OG1-CG2 3.4Å; T57-V60 PolarHBondContact OG1-N 2.92Å; T57-L61 PolarHBondContact O-N 2.5Å; T57-I128 WeakPolarHBondContact CA-O 3.03Å; T57-I128 HydrophobicContact CG2-CB 4.3Å
58	E	96.1	Very high	95.1	Very high	104 Å²	104	78.5 Å²	78.5	49%	0.486	44%	0.443	S	S	.	.	H	α-helix	trans	-55.5	-36	175.1	-66.6	-178	172	0	0	112.7	L61 A62 L127	E58-L61 PolarHBondContact O-N 3.11Å; E58-A62 WeakPolarHBondContact O-CB 3.37Å; E58-A62 PolarHBondContact O-N 3.26Å; E58-L127 HydrophobicContact CG-CD1 4.33Å
59	N	95.8	Very high	95.3	Very high	111 Å²	111	77.5 Å²	77.5	59%	0.594	42%	0.424	S	S	*	.	H	α-helix	trans	-67.1	-37.9	176.6	-178.4	60.8	0	0	0	112.8	T57 Q63	T57-N59 PolarHBondContact O-N 3.2Å; N59-Q63 PolarHBondContact ND2-NE2 2.66Å; N59-Q63 WeakPolarHBondContact O-CG 3.48Å; N59-Q63 PolarHBondContact O-NE2 3.43Å
60	V	96.4	Very high	95.5	Very high	51 Å²	51	77.8 Å²	77.8	31%	0.309	42%	0.423	S	S	.	.	H	α-helix	trans	-68.6	-46.2	173.9	173.4	0	0	0	0	109.3	V56 T57 A62 Q63 H64	V56-V60 HydrophobicContact CG1-CB 3.98Å; V56-V60 HydrophobicContact CG1-CG1 3.87Å; T57-V60 PolarHBondContact O-N 2.8Å; T57-V60 WeakPolarHBondContact OG1-CG2 3.4Å; T57-V60 PolarHBondContact OG1-N 2.92Å; V60-A62 VanDerWaalsContact C-N 3.28Å; V60-A62 PolarHBondContact O-N 3.02Å; V60-Q63 WeakPolarHBondContact O-CB 3.46Å; V60-Q63 PolarHBondContact O-N 2.93Å; V60-H64 PolarHBondContact O-CD2 2.98Å; V60-H64 VanDerWaalsContact O-CD2 3.29Å
61	L	97.7	Very high	95.6	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.016	39%	0.387	C	S	.	.	H	α-helix	trans	-53.7	-45.5	178.7	-177.4	62.2	0	0	0	111.9	V56 T57 E58 Q63 H64 W70 A72 V77 G99 L127	V56-L61 HydrophobicContact CG1-CB 3.97Å; T57-L61 PolarHBondContact O-N 2.5Å; E58-L61 PolarHBondContact O-N 3.11Å; L61-Q63 PolarHBondContact O-N 3.4Å; L61-Q63 VanDerWaalsContact O-N 3.12Å; L61-H64 PolarHBondContact O-N 3.22Å; L61-H64 VanDerWaalsContact O-N 3.08Å; L61-W70 HydrophobicContact CD1-CB 3.66Å; L61-A72 HydrophobicContact CD2-CB 3.89Å; L61-V77 HydrophobicContact CD1-CG1 3.82Å; L61-G99 WeakPolarHBondContact O-CA 3.47Å; L61-L127 HydrophobicContact CD2-CD1 4.05Å
62	A	97.1	Very high	96	Very high	47 Å²	47	66 Å²	66	39%	0.388	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.4	-179.9	0	0	0	0	0	114.7	E58 V60 T65 G99	E58-A62 WeakPolarHBondContact O-CB 3.37Å; E58-A62 PolarHBondContact O-N 3.26Å; V60-A62 VanDerWaalsContact C-N 3.28Å; V60-A62 PolarHBondContact O-N 3.02Å; A62-T65 WeakPolarHBondContact O-CG2 3.44Å; A62-G99 WeakPolarHBondContact CA-O 3.33Å
63	Q	96.7	Very high	96.1	Very high	127 Å²	127	57.4 Å²	57.4	59%	0.593	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-21	177.3	-64.7	170	28	0	0	112.5	N59 V60 L61 T65	N59-Q63 PolarHBondContact ND2-NE2 2.66Å; N59-Q63 WeakPolarHBondContact O-CG 3.48Å; N59-Q63 PolarHBondContact O-NE2 3.43Å; V60-Q63 WeakPolarHBondContact O-CB 3.46Å; V60-Q63 PolarHBondContact O-N 2.93Å; L61-Q63 PolarHBondContact O-N 3.4Å; L61-Q63 VanDerWaalsContact O-N 3.12Å; Q63-T65 VanDerWaalsContact C-N 3.33Å; Q63-T65 PolarHBondContact O-N 3.19Å; Q63-T65 VanDerWaalsContact O-N 3.11Å
64	H	96.2	Very high	96.1	Very high	39 Å²	39	58 Å²	58	18%	0.181	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	69	-178.7	-71.4	-86.9	0	0	0	111	V60 L61 S68 W70 V98	V60-H64 PolarHBondContact O-CD2 2.98Å; V60-H64 VanDerWaalsContact O-CD2 3.29Å; L61-H64 PolarHBondContact O-N 3.22Å; L61-H64 VanDerWaalsContact O-N 3.08Å; H64-S68 CarbonylContact C-O 3.58Å; H64-S68 VanDerWaalsContact CA-O 3.22Å; H64-S68 WeakPolarHBondContact CA-O 3.45Å; H64-S68 PolarHBondContact ND1-OG 2.62Å; H64-W70 HydrophobicContact CB-CB 3.62Å; H64-W70 HydrophobicContact CB-CD2 3.78Å; H64-W70 HydrophobicContact CB-CE3 4.18Å; H64-W70 HydrophobicContact CB-CG 3.52Å; H64-W70 AromaticContact CD2-CD2 3.7Å; H64-W70 AromaticContact CD2-CE3 3.35Å; H64-W70 AromaticContact CD2-CZ3 3.55Å; H64-W70 AromaticContact CE1-CD2 3.97Å; H64-W70 AromaticContact CE1-CE2 3.65Å; H64-W70 AromaticContact CE1-CH2 3.54Å; H64-W70 AromaticContact CE1-CZ2 3.46Å; H64-W70 VanDerWaalsContact CE1-CZ2 3.46Å; H64-W70 WeakPolarHBondContact CE1-CZ2 3.22Å; H64-W70 AromaticContact CE1-CZ3 3.83Å; H64-W70 AromaticContact CG-CD2 3.42Å; H64-W70 VanDerWaalsContact CG-CD2 3.42Å; H64-W70 AromaticContact CG-CE2 3.82Å; H64-W70 AromaticContact CG-CE3 3.61Å; H64-W70 AromaticContact CG-CG 3.74Å; H64-W70 AromaticContact ND1-CD2 3.6Å; H64-W70 AromaticContact ND1-CE2 3.45Å; H64-W70 AromaticContact ND1-CZ2 3.77Å; H64-W70 AromaticContact ND1-NE1 3.78Å; H64-W70 AromaticContact NE2-CE3 3.68Å; H64-W70 AromaticContact NE2-CH2 3.48Å; H64-W70 WeakPolarHBondContact NE2-CH2 3.37Å; H64-W70 AromaticContact NE2-CZ2 3.88Å; H64-W70 AromaticContact NE2-CZ3 3.37Å; H64-W70 WeakPolarHBondContact NE2-CZ3 3.45Å; H64-W70 PolarHBondContact O-N 2.9Å; H64-V98 VanDerWaalsContact O-CG1 3.29Å; H64-V98 WeakPolarHBondContact O-CG1 3.32Å
65	T	94	Very high	96.1	Very high	52 Å²	52	56.6 Å²	56.6	32%	0.319	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-24.7	-179.1	57.3	0	0	0	0	115.7	A62 Q63 S68 H69 V98	A62-T65 WeakPolarHBondContact O-CG2 3.44Å; Q63-T65 VanDerWaalsContact C-N 3.33Å; Q63-T65 PolarHBondContact O-N 3.19Å; Q63-T65 VanDerWaalsContact O-N 3.11Å; T65-S68 PolarHBondContact N-O 3.34Å; T65-S68 VanDerWaalsContact N-O 3.16Å; T65-H69 PolarHBondContact O-CD2 3.01Å; T65-H69 PolarHBondContact O-NE2 3.49Å; T65-V98 HydrophobicContact CG2-CG1 4.16Å
66	T	89.1	Confident	96.2	Very high	108 Å²	108	53.9 Å²	53.9	66%	0.663	29%	0.293	S	S	*	.	S	Bend	trans	-108.4	-64.4	-173	-55.3	0	0	0	0	112.1	H69	T66-H69 PolarHBondContact O-CE1 3.3Å
67	D	90.3	Very high	96.2	Very high	153 Å²	153	53.9 Å²	53.9	82%	0.818	29%	0.293	S	S	*	.	S	Bend	trans	-85.3	-26.6	-175.9	-63.1	-31.6	0	0	0	112.9
68	S	93.6	Very high	96.3	Very high	32 Å²	32	51.9 Å²	51.9	22%	0.224	28%	0.28	C	S	.	.	S	Bend	trans	-139.8	135.2	174.7	44.7	0	0	0	0	107.3	H64 T65	H64-S68 CarbonylContact C-O 3.58Å; H64-S68 VanDerWaalsContact CA-O 3.22Å; H64-S68 WeakPolarHBondContact CA-O 3.45Å; H64-S68 PolarHBondContact ND1-OG 2.62Å; T65-S68 PolarHBondContact N-O 3.34Å; T65-S68 VanDerWaalsContact N-O 3.16Å
69	H	97.5	Very high	96.4	Very high	34 Å²	34	47.3 Å²	47.3	16%	0.157	26%	0.26	C	S	.	.			trans	-106.6	104.7	-175.3	-59.5	85	0	0	0	107.7	T65 T66 V80 T81 M84 V98	T65-H69 PolarHBondContact O-CD2 3.01Å; T65-H69 PolarHBondContact O-NE2 3.49Å; T66-H69 PolarHBondContact O-CE1 3.3Å; H69-V80 HydrophobicContact CB-CG2 4.06Å; H69-V80 VanDerWaalsContact O-CG2 3.25Å; H69-V80 WeakPolarHBondContact O-CG2 3.46Å; H69-V80 PolarHBondContact O-N 3.49Å; H69-T81 PolarHBondContact N-OG1 2.78Å; H69-T81 PolarHBondContact O-N 2.76Å; H69-M84 HydrophobicContact CB-SD 3.88Å; H69-M84 VanDerWaalsContact CG-SD 3.54Å; H69-V98 HydrophobicContact CB-CG1 3.94Å; H69-V98 HydrophobicContact CB-CG2 3.96Å
70	W	98.4	Very high	96.5	Very high	25 Å²	25	42.1 Å²	42.1	10%	0.095	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	150.2	176.4	-65.9	5.6	0	0	0	110.4	V56 L61 H64 V77 Y78 V98 G99 V124	V56-W70 HydrophobicContact CG1-CE3 4.29Å; V56-W70 HydrophobicContact CG1-CZ3 4.21Å; V56-W70 HydrophobicContact CG2-CE3 4.42Å; V56-W70 HydrophobicContact CG2-CZ3 3.94Å; L61-W70 HydrophobicContact CD1-CB 3.66Å; H64-W70 HydrophobicContact CB-CB 3.62Å; H64-W70 HydrophobicContact CB-CD2 3.78Å; H64-W70 HydrophobicContact CB-CE3 4.18Å; H64-W70 HydrophobicContact CB-CG 3.52Å; H64-W70 AromaticContact CD2-CD2 3.7Å; H64-W70 AromaticContact CD2-CE3 3.35Å; H64-W70 AromaticContact CD2-CZ3 3.55Å; H64-W70 AromaticContact CE1-CD2 3.97Å; H64-W70 AromaticContact CE1-CE2 3.65Å; H64-W70 AromaticContact CE1-CH2 3.54Å; H64-W70 AromaticContact CE1-CZ2 3.46Å; H64-W70 VanDerWaalsContact CE1-CZ2 3.46Å; H64-W70 WeakPolarHBondContact CE1-CZ2 3.22Å; H64-W70 AromaticContact CE1-CZ3 3.83Å; H64-W70 AromaticContact CG-CD2 3.42Å; H64-W70 VanDerWaalsContact CG-CD2 3.42Å; H64-W70 AromaticContact CG-CE2 3.82Å; H64-W70 AromaticContact CG-CE3 3.61Å; H64-W70 AromaticContact CG-CG 3.74Å; H64-W70 AromaticContact ND1-CD2 3.6Å; H64-W70 AromaticContact ND1-CE2 3.45Å; H64-W70 AromaticContact ND1-CZ2 3.77Å; H64-W70 AromaticContact ND1-NE1 3.78Å; H64-W70 AromaticContact NE2-CE3 3.68Å; H64-W70 AromaticContact NE2-CH2 3.48Å; H64-W70 WeakPolarHBondContact NE2-CH2 3.37Å; H64-W70 AromaticContact NE2-CZ2 3.88Å; H64-W70 AromaticContact NE2-CZ3 3.37Å; H64-W70 WeakPolarHBondContact NE2-CZ3 3.45Å; H64-W70 PolarHBondContact O-N 2.9Å; W70-V77 HydrophobicContact CB-CG1 4.18Å; W70-V77 HydrophobicContact CD2-CG1 4.35Å; W70-V77 HydrophobicContact CE3-CG1 3.93Å; W70-Y78 VanDerWaalsContact CA-O 3.29Å; W70-Y78 WeakPolarHBondContact CA-O 3.49Å; W70-V98 CarbonylContact O-C 3.47Å; W70-V98 WeakPolarHBondContact O-CA 3.45Å; W70-G99 PolarHBondContact O-N 3.14Å; W70-V124 HydrophobicContact CD2-CG2 4.2Å; W70-V124 HydrophobicContact CE3-CG1 4.14Å; W70-V124 HydrophobicContact CH2-CG1 3.56Å; W70-V124 HydrophobicContact CH2-CG2 4.44Å; W70-V124 HydrophobicContact CZ2-CG1 3.99Å; W70-V124 HydrophobicContact CZ2-CG2 4.05Å; W70-V124 HydrophobicContact CZ3-CG1 3.64Å
71	L	98.5	Very high	96.5	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.052	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.4	169.6	58.4	77.8	0	0	0	109.7	L73 V77 Y78 V80 I94 G97 A102	L71-L73 HydrophobicContact CD1-CD1 3.99Å; L71-L73 HydrophobicContact CD1-CD2 4.23Å; L71-L73 HydrophobicContact CD1-CG 3.66Å; L71-V77 WeakPolarHBondContact O-CA 3.39Å; L71-Y78 PolarHBondContact N-O 2.91Å; L71-Y78 VanDerWaalsContact N-O 3.09Å; L71-Y78 PolarHBondContact O-N 3.47Å; L71-V80 HydrophobicContact CD1-CG1 4.27Å; L71-V80 HydrophobicContact CD2-CG1 3.96Å; L71-V80 HydrophobicContact CD2-CG2 3.87Å; L71-V80 HydrophobicContact CG-CG1 3.85Å; L71-V80 HydrophobicContact CG-CG2 4.09Å; L71-I94 HydrophobicContact CD2-CD1 4.42Å; L71-I94 HydrophobicContact CD2-CG1 3.91Å; L71-G97 WeakPolarHBondContact CB-O 3.21Å; L71-A102 HydrophobicContact CB-CB 4.42Å
72	A	98.4	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.9	172.7	0	0	0	0	0	111.6	L61 S76 V77 H100 D101 A102 L127	L61-A72 HydrophobicContact CD2-CB 3.89Å; A72-S76 CarbonylContact C-O 3.59Å; A72-S76 WeakPolarHBondContact CA-O 3.48Å; A72-V77 HydrophobicContact CB-CG2 4.11Å; A72-H100 PolarHBondContact N-O 2.94Å; A72-D101 HydrophobicContact CB-CB 4.35Å; A72-A102 PolarHBondContact O-N 3.35Å; A72-L127 HydrophobicContact CB-CB 4.43Å; A72-L127 HydrophobicContact CB-CD1 4.43Å; A72-L127 HydrophobicContact CB-CD2 3.83Å; A72-L127 HydrophobicContact CB-CG 4.46Å
73	L	98	Very high	96.4	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.1	170	-64.4	174.4	0	0	0	108.5	L71 G75 S76 Y78 A102 F106 Y115 L119	L71-L73 HydrophobicContact CD1-CD1 3.99Å; L71-L73 HydrophobicContact CD1-CD2 4.23Å; L71-L73 HydrophobicContact CD1-CG 3.66Å; L73-G75 PolarHBondContact O-N 3.27Å; L73-G75 VanDerWaalsContact O-N 3.11Å; L73-S76 PolarHBondContact N-O 3.16Å; L73-S76 WeakPolarHBondContact O-CB 3.18Å; L73-S76 PolarHBondContact O-N 2.99Å; L73-Y78 HydrophobicContact CB-CD2 4.46Å; L73-Y78 HydrophobicContact CB-CE2 4.07Å; L73-A102 HydrophobicContact CD2-CB 4.12Å; L73-F106 HydrophobicContact CD1-CD2 4.26Å; L73-F106 HydrophobicContact CD2-CB 3.6Å; L73-F106 HydrophobicContact CD2-CD2 4.22Å; L73-F106 HydrophobicContact CD2-CG 3.93Å; L73-Y115 HydrophobicContact CB-CD2 4.18Å; L73-Y115 HydrophobicContact CB-CE2 3.85Å; L73-Y115 HydrophobicContact CD1-CD1 4.29Å; L73-Y115 HydrophobicContact CD1-CD2 3.64Å; L73-Y115 HydrophobicContact CD1-CE2 4.2Å; L73-Y115 HydrophobicContact CD1-CG 3.71Å; L73-L119 HydrophobicContact CD1-CD1 4.31Å
74	R	96.5	Very high	96.3	Very high	131 Å²	131	37.3 Å²	37.3	49%	0.494	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	41.6	175.2	-50.1	-168.7	-173.8	155.5	-5.2	113.7	S103 N107 Y115	R74-S103 PolarHBondContact N-OG 3.41Å; R74-N107 PolarHBondContact NH2-OD1 2.86Å; R74-Y115 WeakPolarHBondContact CB-OH 3.2Å; R74-Y115 WeakPolarHBondContact CD-OH 3.47Å; R74-Y115 HydrophobicContact CG-CE1 4.46Å; R74-Y115 WeakPolarHBondContact CG-OH 3.37Å
75	G	97.1	Very high	96.1	Very high	24 Å²	24	39 Å²	39	25%	0.247	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	1.3	178.4	0	0	0	0	0	115.4	L73 L127	L73-G75 PolarHBondContact O-N 3.27Å; L73-G75 VanDerWaalsContact O-N 3.11Å; G75-L127 PolarHBondContact O-N 2.88Å
76	S	98	Very high	96.2	Very high	30 Å²	30	38.1 Å²	38.1	21%	0.21	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140	175.9	-72.6	0	0	0	0	110.8	A72 L73 Y78	A72-S76 CarbonylContact C-O 3.59Å; A72-S76 WeakPolarHBondContact CA-O 3.48Å; L73-S76 PolarHBondContact N-O 3.16Å; L73-S76 WeakPolarHBondContact O-CB 3.18Å; L73-S76 PolarHBondContact O-N 2.99Å; S76-Y78 VanDerWaalsContact CB-CE2 3.49Å; S76-Y78 WeakPolarHBondContact CB-OH 3.31Å; S76-Y78 WeakPolarHBondContact O-CE2 3.31Å
77	V	98.4	Very high	96.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136	178	-178.2	0	0	0	0	110.4	V56 L61 W70 L71 A72 V124 G125 L127	V56-V77 HydrophobicContact CB-CB 4.45Å; V56-V77 HydrophobicContact CB-CG2 3.87Å; V56-V77 HydrophobicContact CG1-CG1 4.5Å; V56-V77 HydrophobicContact CG1-CG2 4.26Å; V56-V77 HydrophobicContact CG2-CB 4.09Å; V56-V77 HydrophobicContact CG2-CG1 4.16Å; V56-V77 HydrophobicContact CG2-CG2 4.05Å; L61-V77 HydrophobicContact CD1-CG1 3.82Å; W70-V77 HydrophobicContact CB-CG1 4.18Å; W70-V77 HydrophobicContact CD2-CG1 4.35Å; W70-V77 HydrophobicContact CE3-CG1 3.93Å; L71-V77 WeakPolarHBondContact O-CA 3.39Å; A72-V77 HydrophobicContact CB-CG2 4.11Å; V77-V124 HydrophobicContact CB-CB 4.27Å; V77-V124 HydrophobicContact CG1-CB 4.1Å; V77-V124 HydrophobicContact CG1-CG1 4.41Å; V77-V124 HydrophobicContact CG1-CG2 4.43Å; V77-V124 WeakPolarHBondContact O-CB 3.38Å; V77-V124 PolarHBondContact O-N 3.43Å; V77-G125 PolarHBondContact N-O 3.28Å; V77-L127 HydrophobicContact CG2-CB 3.97Å; V77-L127 HydrophobicContact CG2-CD1 4.15Å
78	Y	98.6	Very high	96.6	Very high	3 Å²	3	31 Å²	31	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.9	179.1	-54.9	-96.4	0	0	0	110.6	W70 L71 L73 S76 Y115 D116 L119 C122 Y123	W70-Y78 VanDerWaalsContact CA-O 3.29Å; W70-Y78 WeakPolarHBondContact CA-O 3.49Å; L71-Y78 PolarHBondContact N-O 2.91Å; L71-Y78 VanDerWaalsContact N-O 3.09Å; L71-Y78 PolarHBondContact O-N 3.47Å; L73-Y78 HydrophobicContact CB-CD2 4.46Å; L73-Y78 HydrophobicContact CB-CE2 4.07Å; S76-Y78 VanDerWaalsContact CB-CE2 3.49Å; S76-Y78 WeakPolarHBondContact CB-OH 3.31Å; S76-Y78 WeakPolarHBondContact O-CE2 3.31Å; Y78-Y115 HydrophobicContact CE2-CD2 4.41Å; Y78-Y115 HydrophobicContact CE2-CE2 4.28Å; Y78-D116 PolarHBondContact OH-OD1 2.66Å; Y78-L119 HydrophobicContact CD1-CB 3.55Å; Y78-L119 HydrophobicContact CD1-CD1 4.26Å; Y78-L119 HydrophobicContact CE1-CB 4.01Å; Y78-L119 HydrophobicContact CG-CB 4.21Å; Y78-L119 HydrophobicContact CG-CD1 4.09Å; Y78-C122 CarbonylContact C-O 3.54Å; Y78-C122 WeakPolarHBondContact CA-O 3.4Å; Y78-Y123 HydrophobicContact CD1-CD2 4.41Å; Y78-Y123 AromaticContact CE1-CD2 3.95Å; Y78-Y123 HydrophobicContact CE1-CD2 3.95Å
79	C	98.1	Very high	96.5	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.054	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	108.4	167.6	-176	0	0	0	0	109.4	T81 C122 V124	C79-T81 PolarHBondContact SG-OG1 3.09Å; C79-C122 PolarHBondContact N-O 3.42Å; C79-C122 VanDerWaalsContact O-CB 3.23Å; C79-C122 WeakPolarHBondContact O-CB 3.38Å; C79-C122 PolarHBondContact O-SG 3.29Å; C79-C122 VanDerWaalsContact O-SG 3.35Å; C79-V124 HydrophobicContact CB-CG2 3.97Å
80	V	97.8	Very high	96.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	18%	0.18	C	C	.	.			trans	-100	3.1	-175.5	-63.2	0	0	0	0	113.6	H69 L71 E82 F83 M84 I94 V98 L119	H69-V80 HydrophobicContact CB-CG2 4.06Å; H69-V80 VanDerWaalsContact O-CG2 3.25Å; H69-V80 WeakPolarHBondContact O-CG2 3.46Å; H69-V80 PolarHBondContact O-N 3.49Å; L71-V80 HydrophobicContact CD1-CG1 4.27Å; L71-V80 HydrophobicContact CD2-CG1 3.96Å; L71-V80 HydrophobicContact CD2-CG2 3.87Å; L71-V80 HydrophobicContact CG-CG1 3.85Å; L71-V80 HydrophobicContact CG-CG2 4.09Å; V80-E82 VanDerWaalsContact C-N 3.3Å; V80-E82 PolarHBondContact O-N 3.07Å; V80-E82 VanDerWaalsContact O-N 3.16Å; V80-F83 HydrophobicContact CB-CB 4.5Å; V80-F83 CarbonylContact O-C 3.58Å; V80-F83 PolarHBondContact O-N 3.29Å; V80-M84 HydrophobicContact CG2-CG 4.47Å; V80-M84 WeakPolarHBondContact O-CG 3.49Å; V80-M84 PolarHBondContact O-N 3.08Å; V80-I94 HydrophobicContact CB-CD1 3.69Å; V80-I94 HydrophobicContact CB-CG1 4.46Å; V80-I94 HydrophobicContact CG1-CD1 4.05Å; V80-I94 HydrophobicContact CG2-CD1 3.91Å; V80-I94 HydrophobicContact CG2-CG1 4.13Å; V80-V98 HydrophobicContact CG2-CG2 4.4Å; V80-L119 HydrophobicContact CG1-CD1 4.31Å
81	T	97	Very high	96	Very high	34 Å²	34	34.9 Å²	34.9	21%	0.209	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.1	-53.3	-176.7	-55.1	0	0	0	0	113	H69 C79	H69-T81 PolarHBondContact N-OG1 2.78Å; H69-T81 PolarHBondContact O-N 2.76Å; C79-T81 PolarHBondContact SG-OG1 3.09Å
82	E	95.6	Very high	95.7	Very high	61 Å²	61	41 Å²	41	29%	0.285	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-43	-179.9	-61.9	-55.6	126.2	0	0	111.7	W36 Y39 V80 M84 N85 F86	W36-E82 HydrophobicContact CZ3-CB 4.18Å; Y39-E82 HydrophobicContact CE1-CB 3.72Å; Y39-E82 HydrophobicContact CE1-CG 3.97Å; Y39-E82 VanDerWaalsContact OH-CD 3.23Å; Y39-E82 WeakPolarHBondContact OH-CG 3.37Å; Y39-E82 PolarHBondContact OH-OE2 3.16Å; V80-E82 VanDerWaalsContact C-N 3.3Å; V80-E82 PolarHBondContact O-N 3.07Å; V80-E82 VanDerWaalsContact O-N 3.16Å; E82-M84 PolarHBondContact O-N 3.11Å; E82-M84 VanDerWaalsContact O-N 3.16Å; E82-N85 WeakPolarHBondContact O-CB 3.21Å; E82-N85 PolarHBondContact O-N 3.12Å; E82-N85 PolarHBondContact O-ND2 3.26Å; E82-F86 WeakPolarHBondContact O-CD2 2.99Å
83	F	96.3	Very high	95.5	Very high	16 Å²	16	46.5 Å²	46.5	7%	0.07	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60.8	-25.8	-178.5	-176.1	-114.8	0	0	0	113.1	L33 W36 V80 N85 F86 H87 I94 I118 L119	L33-F83 HydrophobicContact CD2-CE2 4.23Å; W36-F83 AromaticContact CD1-CE2 3.98Å; W36-F83 AromaticContact CD2-CD2 3.58Å; W36-F83 HydrophobicContact CD2-CD2 3.58Å; W36-F83 HydrophobicContact CD2-CE2 4.17Å; W36-F83 AromaticContact CE2-CD2 3.57Å; W36-F83 AromaticContact CE3-CD2 3.99Å; W36-F83 HydrophobicContact CE3-CD2 3.99Å; W36-F83 AromaticContact CG-CD2 3.92Å; W36-F83 HydrophobicContact CG-CD2 3.92Å; W36-F83 HydrophobicContact CG-CE2 4.02Å; W36-F83 HydrophobicContact CH2-CB 3.92Å; W36-F83 HydrophobicContact CH2-CD2 4.33Å; W36-F83 HydrophobicContact CZ2-CB 4.18Å; W36-F83 AromaticContact CZ2-CD2 3.96Å; W36-F83 HydrophobicContact CZ2-CD2 3.96Å; W36-F83 HydrophobicContact CZ2-CG 4.41Å; W36-F83 HydrophobicContact CZ3-CB 4.13Å; W36-F83 HydrophobicContact CZ3-CD2 4.35Å; W36-F83 AromaticContact NE1-CD2 3.9Å; V80-F83 HydrophobicContact CB-CB 4.5Å; V80-F83 CarbonylContact O-C 3.58Å; V80-F83 PolarHBondContact O-N 3.29Å; F83-N85 PolarHBondContact O-N 3.02Å; F83-N85 VanDerWaalsContact O-N 3.14Å; F83-F86 HydrophobicContact CD2-CB 4.32Å; F83-F86 CarbonylContact O-C 3.59Å; F83-F86 WeakPolarHBondContact O-CA 3.37Å; F83-F86 PolarHBondContact O-N 2.94Å; F83-H87 HydrophobicContact CE1-CB 4.22Å; F83-H87 HydrophobicContact CZ-CB 4.49Å; F83-H87 PolarHBondContact O-N 3.27Å; F83-I94 HydrophobicContact CD1-CD1 3.64Å; F83-I94 HydrophobicContact CE1-CD1 4.16Å; F83-I118 HydrophobicContact CD2-CG2 4.38Å; F83-I118 HydrophobicContact CE2-CG2 3.6Å; F83-I118 HydrophobicContact CZ-CG2 3.7Å; F83-L119 HydrophobicContact CB-CD2 4.12Å; F83-L119 HydrophobicContact CD1-CD2 3.69Å; F83-L119 HydrophobicContact CD2-CD2 4.21Å; F83-L119 HydrophobicContact CE1-CD2 4.13Å; F83-L119 HydrophobicContact CG-CD2 3.72Å
84	M	94.2	Very high	95.3	Very high	17 Å²	17	47 Å²	47	8%	0.084	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-53.5	-35.8	173.5	-64.1	-173.6	77.9	0	0	112.1	H69 V80 E82 F86 K91 I94 H95	H69-M84 HydrophobicContact CB-SD 3.88Å; H69-M84 VanDerWaalsContact CG-SD 3.54Å; V80-M84 HydrophobicContact CG2-CG 4.47Å; V80-M84 WeakPolarHBondContact O-CG 3.49Å; V80-M84 PolarHBondContact O-N 3.08Å; E82-M84 PolarHBondContact O-N 3.11Å; E82-M84 VanDerWaalsContact O-N 3.16Å; M84-F86 PolarHBondContact O-N 2.76Å; M84-K91 HydrophobicContact CB-CG 4.27Å; M84-K91 WeakPolarHBondContact O-CG 3.22Å; M84-I94 HydrophobicContact CB-CG2 4.08Å; M84-I94 HydrophobicContact CE-CG2 3.89Å; M84-I94 HydrophobicContact CG-CD1 4.33Å; M84-I94 HydrophobicContact CG-CG2 3.7Å; M84-H95 HydrophobicContact CE-CB 3.75Å
85	N	93.7	Very high	95.2	Very high	73 Å²	73	45.6 Å²	45.6	39%	0.39	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-71	-19	177.4	-61	-53.4	0	0	0	113.4	E82 F83 K91	E82-N85 WeakPolarHBondContact O-CB 3.21Å; E82-N85 PolarHBondContact O-N 3.12Å; E82-N85 PolarHBondContact O-ND2 3.26Å; F83-N85 PolarHBondContact O-N 3.02Å; F83-N85 VanDerWaalsContact O-N 3.14Å; N85-K91 WeakPolarHBondContact OD1-CE 3.38Å; N85-K91 PolarHBondContact OD1-NZ 3.47Å
86	F	95.1	Very high	95.2	Very high	35 Å²	35	49.4 Å²	49.4	15%	0.154	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-4.1	-175.4	-58.7	-96	0	0	0	114.8	V31 D35 W36 Y39 E82 F83 M84 P88	V31-F86 VanDerWaalsContact CG1-CA 3.44Å; V31-F86 HydrophobicContact CG1-CB 3.86Å; V31-F86 HydrophobicContact CG1-CD1 3.72Å; V31-F86 HydrophobicContact CG1-CG 4.16Å; D35-F86 HydrophobicContact CB-CD1 4.26Å; D35-F86 HydrophobicContact CB-CE1 4.18Å; W36-F86 HydrophobicContact CB-CB 3.79Å; W36-F86 HydrophobicContact CB-CD1 4.04Å; W36-F86 HydrophobicContact CB-CG 4.01Å; W36-F86 HydrophobicContact CD2-CB 4.49Å; W36-F86 HydrophobicContact CE3-CB 4.2Å; W36-F86 AromaticContact CE3-CD2 3.65Å; W36-F86 HydrophobicContact CE3-CD2 3.65Å; W36-F86 HydrophobicContact CE3-CE2 4.15Å; W36-F86 AromaticContact CE3-CG 3.94Å; W36-F86 HydrophobicContact CE3-CG 3.94Å; W36-F86 HydrophobicContact CG-CB 4.36Å; W36-F86 HydrophobicContact CZ3-CD2 4.19Å; Y39-F86 HydrophobicContact CD1-CE2 4.01Å; Y39-F86 HydrophobicContact CD1-CZ 4.23Å; Y39-F86 HydrophobicContact CD2-CE2 4.43Å; Y39-F86 HydrophobicContact CD2-CZ 4.04Å; Y39-F86 HydrophobicContact CE1-CE2 4.43Å; Y39-F86 HydrophobicContact CG-CE2 4.01Å; Y39-F86 AromaticContact CG-CZ 3.75Å; Y39-F86 HydrophobicContact CG-CZ 3.75Å; E82-F86 WeakPolarHBondContact O-CD2 2.99Å; F83-F86 HydrophobicContact CD2-CB 4.32Å; F83-F86 CarbonylContact O-C 3.59Å; F83-F86 WeakPolarHBondContact O-CA 3.37Å; F83-F86 PolarHBondContact O-N 2.94Å; M84-F86 PolarHBondContact O-N 2.76Å; F86-P88 VanDerWaalsContact O-CD 3.24Å; F86-P88 WeakPolarHBondContact O-CD 3.29Å
87	H	94.1	Very high	95.1	Very high	26 Å²	26	48.2 Å²	48.2	12%	0.12	26%	0.256	C	S	.	.			trans	-65.6	117.8	-179.5	-179.6	-125.7	0	0	0	111.3	F83 G89 G90 I94 H110	F83-H87 HydrophobicContact CE1-CB 4.22Å; F83-H87 HydrophobicContact CZ-CB 4.49Å; F83-H87 PolarHBondContact O-N 3.27Å; H87-G89 PolarHBondContact O-N 3.39Å; H87-G89 VanDerWaalsContact O-N 3.15Å; H87-G90 PolarHBondContact ND1-N 3.03Å; H87-G90 PolarHBondContact ND1-O 2.99Å; H87-G90 PolarHBondContact O-N 2.92Å; H87-I94 HydrophobicContact CB-CG2 4.5Å; H87-H110 AromaticContact NE2-CE1 3.9Å
88	P	93.1	Very high	95.1	Very high	84 Å²	84	48.6 Å²	48.6	55%	0.545	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.2	-177.3	-26.5	36.2	0	0	0	114	L33 F86 G90	L33-P88 HydrophobicContact CD2-CG 4.23Å; L33-P88 HydrophobicContact CG-CG 4.36Å; F86-P88 VanDerWaalsContact O-CD 3.24Å; F86-P88 WeakPolarHBondContact O-CD 3.29Å; P88-G90 PolarHBondContact O-N 2.78Å
89	G	91.4	Very high	95.1	Very high	37 Å²	37	48.5 Å²	48.5	38%	0.381	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	1	175.6	0	0	0	0	0	114.8	H87	H87-G89 PolarHBondContact O-N 3.39Å; H87-G89 VanDerWaalsContact O-N 3.15Å
90	G	92.1	Very high	95	Very high	32 Å²	32	53.7 Å²	53.7	33%	0.33	28%	0.282	S	S	.	.			trans	85.1	159.6	-178.1	0	0	0	0	0	114.4	H87 P88 D92 R93	H87-G90 PolarHBondContact ND1-N 3.03Å; H87-G90 PolarHBondContact ND1-O 2.99Å; H87-G90 PolarHBondContact O-N 2.92Å; P88-G90 PolarHBondContact O-N 2.78Å; G90-D92 VanDerWaalsContact C-N 3.35Å; G90-D92 PolarHBondContact O-N 2.85Å; G90-R93 PolarHBondContact O-N 3.24Å
91	K	93.6	Very high	95	Very high	104 Å²	104	56.3 Å²	56.3	45%	0.452	30%	0.296	S	S	.	.	H	α-helix	trans	-58.8	-41.5	-177.8	-71	177.8	177.5	-170.5	0	113.5	M84 N85 R93 I94 H95	M84-K91 HydrophobicContact CB-CG 4.27Å; M84-K91 WeakPolarHBondContact O-CG 3.22Å; N85-K91 WeakPolarHBondContact OD1-CE 3.38Å; N85-K91 PolarHBondContact OD1-NZ 3.47Å; K91-R93 PolarHBondContact O-N 2.94Å; K91-I94 WeakPolarHBondContact O-CG2 3.29Å; K91-I94 PolarHBondContact O-N 3.41Å; K91-H95 WeakPolarHBondContact O-CB 3.25Å; K91-H95 PolarHBondContact O-N 2.53Å
92	D	93	Very high	95.1	Very high	139 Å²	139	55.1 Å²	55.1	74%	0.743	29%	0.29	S	S	*	.	H	α-helix	trans	-61.6	-34.3	-173.7	-57.3	-19.9	0	0	0	111.6	G90 H95 M96	G90-D92 VanDerWaalsContact C-N 3.35Å; G90-D92 PolarHBondContact O-N 2.85Å; D92-H95 PolarHBondContact O-N 2.83Å; D92-M96 PolarHBondContact O-N 3.4Å
93	R	93.1	Very high	95.2	Very high	116 Å²	116	53 Å²	53	44%	0.438	28%	0.282	S	S	.	.	H	α-helix	trans	-70.9	-38.2	-179.2	-69.4	-158.3	177	-114.3	-0.7	113.5	G90 K91 M96 Y109	G90-R93 PolarHBondContact O-N 3.24Å; K91-R93 PolarHBondContact O-N 2.94Å; R93-M96 HydrophobicContact CB-CE 4.26Å; R93-M96 HydrophobicContact CG-CE 4.31Å; R93-Y109 PolarHBondContact NH1-OH 2.98Å
94	I	94.3	Very high	95.2	Very high	17 Å²	17	59.4 Å²	59.4	9%	0.087	31%	0.314	C	S	.	.	H	α-helix	trans	-75	-33.8	176.2	-174.1	165.3	0	0	0	111	L71 V80 F83 M84 H87 K91 M96 G97	L71-I94 HydrophobicContact CD2-CD1 4.42Å; L71-I94 HydrophobicContact CD2-CG1 3.91Å; V80-I94 HydrophobicContact CB-CD1 3.69Å; V80-I94 HydrophobicContact CB-CG1 4.46Å; V80-I94 HydrophobicContact CG1-CD1 4.05Å; V80-I94 HydrophobicContact CG2-CD1 3.91Å; V80-I94 HydrophobicContact CG2-CG1 4.13Å; F83-I94 HydrophobicContact CD1-CD1 3.64Å; F83-I94 HydrophobicContact CE1-CD1 4.16Å; M84-I94 HydrophobicContact CB-CG2 4.08Å; M84-I94 HydrophobicContact CE-CG2 3.89Å; M84-I94 HydrophobicContact CG-CD1 4.33Å; M84-I94 HydrophobicContact CG-CG2 3.7Å; H87-I94 HydrophobicContact CB-CG2 4.5Å; K91-I94 WeakPolarHBondContact O-CG2 3.29Å; K91-I94 PolarHBondContact O-N 3.41Å; I94-M96 PolarHBondContact O-N 2.65Å; I94-G97 PolarHBondContact O-N 3.47Å
95	H	95.6	Very high	95.3	Very high	100 Å²	100	60.9 Å²	60.9	46%	0.463	32%	0.321	S	S	.	.	H	α-helix	trans	-58.4	-32.5	177.5	-164.7	71.9	0	0	0	113	M84 K91 D92 G97 V98	M84-H95 HydrophobicContact CE-CB 3.75Å; K91-H95 WeakPolarHBondContact O-CB 3.25Å; K91-H95 PolarHBondContact O-N 2.53Å; D92-H95 PolarHBondContact O-N 2.83Å; H95-G97 PolarHBondContact O-N 3.39Å; H95-G97 VanDerWaalsContact O-N 3.13Å; H95-V98 PolarHBondContact O-N 3.03Å; H95-V98 VanDerWaalsContact O-N 3.13Å
96	M	95.4	Very high	95.4	Very high	105 Å²	105	58.8 Å²	58.8	52%	0.517	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.8	175.2	-65.9	-169.2	-70.1	0	0	114.4	D92 R93 I94 L105	D92-M96 PolarHBondContact O-N 3.4Å; R93-M96 HydrophobicContact CB-CE 4.26Å; R93-M96 HydrophobicContact CG-CE 4.31Å; I94-M96 PolarHBondContact O-N 2.65Å; M96-L105 HydrophobicContact CB-CD2 3.79Å; M96-L105 HydrophobicContact CE-CD1 4.28Å; M96-L105 HydrophobicContact CE-CD2 4.22Å
97	G	96.9	Very high	95.5	Very high	4 Å²	4	60.5 Å²	60.5	4%	0.041	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-7.6	179.8	0	0	0	0	0	114.4	L71 I94 H95 H100	L71-G97 WeakPolarHBondContact CB-O 3.21Å; I94-G97 PolarHBondContact O-N 3.47Å; H95-G97 PolarHBondContact O-N 3.39Å; H95-G97 VanDerWaalsContact O-N 3.13Å; G97-H100 PolarHBondContact O-N 2.85Å
98	V	97.9	Very high	95.5	Very high	8 Å²	8	64.8 Å²	64.8	5%	0.048	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	136.9	-175.4	175.2	0	0	0	0	110.1	H64 T65 H69 W70 V80 H95 H100	H64-V98 VanDerWaalsContact O-CG1 3.29Å; H64-V98 WeakPolarHBondContact O-CG1 3.32Å; T65-V98 HydrophobicContact CG2-CG1 4.16Å; H69-V98 HydrophobicContact CB-CG1 3.94Å; H69-V98 HydrophobicContact CB-CG2 3.96Å; W70-V98 CarbonylContact O-C 3.47Å; W70-V98 WeakPolarHBondContact O-CA 3.45Å; V80-V98 HydrophobicContact CG2-CG2 4.4Å; H95-V98 PolarHBondContact O-N 3.03Å; H95-V98 VanDerWaalsContact O-N 3.13Å; V98-H100 VanDerWaalsContact C-N 3.27Å; V98-H100 PolarHBondContact O-CD2 2.91Å; V98-H100 VanDerWaalsContact O-CD2 3.22Å; V98-H100 PolarHBondContact O-N 3.14Å
99	G	98	Very high	95.6	Very high	2 Å²	2	66.5 Å²	66.5	2%	0.021	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	2.6	-177.2	0	0	0	0	0	114.5	L61 A62 W70	L61-G99 WeakPolarHBondContact O-CA 3.47Å; A62-G99 WeakPolarHBondContact CA-O 3.33Å; W70-G99 PolarHBondContact O-N 3.14Å
100	H	97.7	Very high	95.7	Very high	117 Å²	117	67.8 Å²	67.8	54%	0.542	34%	0.335	S	S	.	.	S	Bend	trans	-139	168.7	-170.7	-58.5	-56.9	0	0	0	113.4	A72 G97 V98 A102	A72-H100 PolarHBondContact N-O 2.94Å; G97-H100 PolarHBondContact O-N 2.85Å; V98-H100 VanDerWaalsContact C-N 3.27Å; V98-H100 PolarHBondContact O-CD2 2.91Å; V98-H100 VanDerWaalsContact O-CD2 3.22Å; V98-H100 PolarHBondContact O-N 3.14Å; H100-A102 PolarHBondContact O-N 3.16Å
101	D	98	Very high	95.7	Very high	55 Å²	55	68.4 Å²	68.4	29%	0.294	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-75.1	102.5	164.8	-171.5	-21.3	0	0	0	109.9	A72 S103 R129	A72-D101 HydrophobicContact CB-CB 4.35Å; D101-S103 VanDerWaalsContact C-N 3.3Å; D101-S103 PolarHBondContact O-N 2.94Å; D101-S103 WeakPolarHBondContact OD1-CB 3.41Å; D101-S103 PolarHBondContact OD1-N 3.34Å; D101-S103 PolarHBondContact OD1-OG 3.13Å; D101-R129 IonicContact OD2-CZ 3.28Å; D101-R129 IonicContact OD2-NH2 3.15Å; D101-R129 PolarHBondContact OD2-NH2 3Å
102	A	97.8	Very high	95.8	Very high	9 Å²	9	72.5 Å²	72.5	7%	0.074	36%	0.357	C	S	.	.			trans	-89	9.1	-176.6	0	0	0	0	0	112.8	L71 A72 L73 H100 M104 L105 F106	L71-A102 HydrophobicContact CB-CB 4.42Å; A72-A102 PolarHBondContact O-N 3.35Å; L73-A102 HydrophobicContact CD2-CB 4.12Å; H100-A102 PolarHBondContact O-N 3.16Å; A102-M104 VanDerWaalsContact C-N 3.31Å; A102-M104 PolarHBondContact O-N 3.43Å; A102-L105 PolarHBondContact O-N 3.39Å; A102-L105 VanDerWaalsContact O-N 3.14Å; A102-F106 WeakPolarHBondContact O-CB 3.46Å; A102-F106 PolarHBondContact O-N 3.48Å
103	S	97.6	Very high	95.8	Very high	17 Å²	17	69.5 Å²	69.5	12%	0.119	34%	0.341	C	S	.	.	H	α-helix	trans	-56.1	-42.9	-174.5	-58.1	0	0	0	0	113.2	R74 D101 F106 N107	R74-S103 PolarHBondContact N-OG 3.41Å; D101-S103 VanDerWaalsContact C-N 3.3Å; D101-S103 PolarHBondContact O-N 2.94Å; D101-S103 WeakPolarHBondContact OD1-CB 3.41Å; D101-S103 PolarHBondContact OD1-N 3.34Å; D101-S103 PolarHBondContact OD1-OG 3.13Å; S103-F106 PolarHBondContact O-N 2.94Å; S103-N107 WeakPolarHBondContact O-CB 3.45Å; S103-N107 PolarHBondContact O-N 3.46Å; S103-N107 PolarHBondContact O-ND2 3.49Å
104	M	96.7	Very high	96	Very high	150 Å²	150	68.7 Å²	68.7	74%	0.739	35%	0.345	S	S	*	.	H	α-helix	trans	-65.1	-47	178.7	-174.7	-172.6	-63.7	0	0	111	A102 F106 N107 I108	A102-M104 VanDerWaalsContact C-N 3.31Å; A102-M104 PolarHBondContact O-N 3.43Å; M104-F106 VanDerWaalsContact C-N 3.33Å; M104-F106 PolarHBondContact O-N 2.75Å; M104-N107 PolarHBondContact O-N 3.5Å; M104-I108 HydrophobicContact CG-CD1 4.43Å; M104-I108 WeakPolarHBondContact O-CG1 3.43Å; M104-I108 PolarHBondContact O-N 3.22Å; M104-I108 VanDerWaalsContact O-N 3.1Å
105	L	95.8	Very high	96.1	Very high	48 Å²	48	68.7 Å²	68.7	25%	0.251	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-44.3	178.3	-173.7	68.9	0	0	0	111	M96 A102 N107 I108 Y109	M96-L105 HydrophobicContact CB-CD2 3.79Å; M96-L105 HydrophobicContact CE-CD1 4.28Å; M96-L105 HydrophobicContact CE-CD2 4.22Å; A102-L105 PolarHBondContact O-N 3.39Å; A102-L105 VanDerWaalsContact O-N 3.14Å; L105-N107 PolarHBondContact O-N 3.02Å; L105-I108 PolarHBondContact O-N 3.21Å; L105-Y109 HydrophobicContact CD1-CD2 4.13Å; L105-Y109 HydrophobicContact CD1-CE2 3.63Å; L105-Y109 HydrophobicContact CG-CD2 4.35Å; L105-Y109 HydrophobicContact CG-CE2 4.32Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.46Å; L105-Y109 PolarHBondContact O-N 3.22Å
106	F	97	Very high	96.1	Very high	29 Å²	29	67.3 Å²	67.3	13%	0.127	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-46.6	176.4	-177.3	-89.4	0	0	0	111.3	L73 A102 S103 M104 I108 Y109 H110 I113 Y115	L73-F106 HydrophobicContact CD1-CD2 4.26Å; L73-F106 HydrophobicContact CD2-CB 3.6Å; L73-F106 HydrophobicContact CD2-CD2 4.22Å; L73-F106 HydrophobicContact CD2-CG 3.93Å; A102-F106 WeakPolarHBondContact O-CB 3.46Å; A102-F106 PolarHBondContact O-N 3.48Å; S103-F106 PolarHBondContact O-N 2.94Å; M104-F106 VanDerWaalsContact C-N 3.33Å; M104-F106 PolarHBondContact O-N 2.75Å; F106-I108 VanDerWaalsContact C-N 3.28Å; F106-I108 PolarHBondContact O-N 3.15Å; F106-Y109 PolarHBondContact O-N 3.32Å; F106-Y109 VanDerWaalsContact O-N 3.15Å; F106-H110 HydrophobicContact CD1-CB 4.42Å; F106-H110 HydrophobicContact CD2-CB 4.12Å; F106-H110 HydrophobicContact CE1-CB 4Å; F106-H110 WeakPolarHBondContact CE1-O 3.33Å; F106-H110 HydrophobicContact CE2-CB 3.69Å; F106-H110 HydrophobicContact CG-CB 4.47Å; F106-H110 HydrophobicContact CZ-CB 3.61Å; F106-H110 WeakPolarHBondContact CZ-O 3.4Å; F106-H110 CarbonylContact O-C 2.77Å; F106-H110 WeakPolarHBondContact O-CA 3.44Å; F106-H110 PolarHBondContact O-N 3.14Å; F106-I113 HydrophobicContact CZ-CB 4Å; F106-I113 HydrophobicContact CZ-CG2 4.34Å; F106-Y115 HydrophobicContact CD1-CD1 4.13Å; F106-Y115 AromaticContact CE1-CD1 3.43Å; F106-Y115 HydrophobicContact CE1-CD1 3.43Å; F106-Y115 VanDerWaalsContact CE1-CD1 3.43Å; F106-Y115 HydrophobicContact CE1-CE1 4.08Å; F106-Y115 HydrophobicContact CE1-CG 4.38Å; F106-Y115 HydrophobicContact CE2-CD1 4.18Å; F106-Y115 HydrophobicContact CE2-CG 4.38Å; F106-Y115 AromaticContact CZ-CD1 3.47Å; F106-Y115 HydrophobicContact CZ-CD1 3.47Å; F106-Y115 VanDerWaalsContact CZ-CD1 3.47Å; F106-Y115 HydrophobicContact CZ-CG 4.02Å
107	N	96.4	Very high	96.1	Very high	71 Å²	71	64.6 Å²	64.6	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-31.7	179.8	-73.3	-15.8	0	0	0	112.8	R74 S103 M104 L105 Y109 A111	R74-N107 PolarHBondContact NH2-OD1 2.86Å; S103-N107 WeakPolarHBondContact O-CB 3.45Å; S103-N107 PolarHBondContact O-N 3.46Å; S103-N107 PolarHBondContact O-ND2 3.49Å; M104-N107 PolarHBondContact O-N 3.5Å; L105-N107 PolarHBondContact O-N 3.02Å; N107-Y109 VanDerWaalsContact C-N 3.31Å; N107-Y109 PolarHBondContact O-N 2.81Å; N107-A111 WeakPolarHBondContact O-CB 3.39Å
108	I	95.4	Very high	96.1	Very high	117 Å²	117	65.3 Å²	65.3	60%	0.6	34%	0.337	S	S	*	.	H	α-helix	trans	-63.3	-38	175.6	-70.4	165.2	0	0	0	111.5	M104 L105 F106	M104-I108 HydrophobicContact CG-CD1 4.43Å; M104-I108 WeakPolarHBondContact O-CG1 3.43Å; M104-I108 PolarHBondContact O-N 3.22Å; M104-I108 VanDerWaalsContact O-N 3.1Å; L105-I108 PolarHBondContact O-N 3.21Å; F106-I108 VanDerWaalsContact C-N 3.28Å; F106-I108 PolarHBondContact O-N 3.15Å
109	Y	94.7	Very high	96.1	Very high	119 Å²	119	65.2 Å²	65.2	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-104.3	-27.6	-171.9	-67	-68	0	0	0	114.7	R93 L105 F106 N107	R93-Y109 PolarHBondContact NH1-OH 2.98Å; L105-Y109 HydrophobicContact CD1-CD2 4.13Å; L105-Y109 HydrophobicContact CD1-CE2 3.63Å; L105-Y109 HydrophobicContact CG-CD2 4.35Å; L105-Y109 HydrophobicContact CG-CE2 4.32Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.46Å; L105-Y109 PolarHBondContact O-N 3.22Å; F106-Y109 PolarHBondContact O-N 3.32Å; F106-Y109 VanDerWaalsContact O-N 3.15Å; N107-Y109 VanDerWaalsContact C-N 3.31Å; N107-Y109 PolarHBondContact O-N 2.81Å
110	H	92.7	Very high	96	Very high	64 Å²	64	69.1 Å²	69.1	30%	0.296	35%	0.353	S	S	.	.	H	α-helix	trans	-145.5	32.7	-164.2	-54.2	111.3	0	0	0	113.1	H87 F106 H112 I113	H87-H110 AromaticContact NE2-CE1 3.9Å; F106-H110 HydrophobicContact CD1-CB 4.42Å; F106-H110 HydrophobicContact CD2-CB 4.12Å; F106-H110 HydrophobicContact CE1-CB 4Å; F106-H110 WeakPolarHBondContact CE1-O 3.33Å; F106-H110 HydrophobicContact CE2-CB 3.69Å; F106-H110 HydrophobicContact CG-CB 4.47Å; F106-H110 HydrophobicContact CZ-CB 3.61Å; F106-H110 WeakPolarHBondContact CZ-O 3.4Å; F106-H110 CarbonylContact O-C 2.77Å; F106-H110 WeakPolarHBondContact O-CA 3.44Å; F106-H110 PolarHBondContact O-N 3.14Å; H110-H112 PolarHBondContact O-N 3.26Å; H110-I113 HydrophobicContact CB-CB 4.01Å; H110-I113 HydrophobicContact CB-CG1 3.79Å; H110-I113 PolarHBondContact O-N 3.45Å
111	A	93.4	Very high	96	Very high	46 Å²	46	66.6 Å²	66.6	38%	0.38	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-35.2	-174.5	0	0	0	0	0	115.4	N107	N107-A111 WeakPolarHBondContact O-CB 3.39Å
112	H	93.8	Very high	96	Very high	189 Å²	189	64 Å²	64	88%	0.875	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-0.7	-175.9	-54	-59.5	0	0	0	114.4	H110	H110-H112 PolarHBondContact O-N 3.26Å
113	I	94.8	Very high	96	Very high	77 Å²	77	67.2 Å²	67.2	40%	0.395	34%	0.336	S	S	.	.			trans	-81.6	129.3	178.9	-61	-59.7	0	0	0	109.1	F106 H110 Y115 I118	F106-I113 HydrophobicContact CZ-CB 4Å; F106-I113 HydrophobicContact CZ-CG2 4.34Å; H110-I113 HydrophobicContact CB-CB 4.01Å; H110-I113 HydrophobicContact CB-CG1 3.79Å; H110-I113 PolarHBondContact O-N 3.45Å; I113-Y115 VanDerWaalsContact C-N 3.33Å; I113-Y115 PolarHBondContact O-N 3.27Å; I113-I118 HydrophobicContact CG2-CD1 3.55Å
114	D	95.5	Very high	96	Very high	98 Å²	98	66.4 Å²	66.4	52%	0.524	33%	0.33	S	S	.	.			trans	-75.7	86.4	169.8	-172.5	-10.4	0	0	0	109.6	D116 A117 I118	D114-D116 PolarHBondContact O-N 2.95Å; D114-D116 WeakPolarHBondContact OD1-CB 3.1Å; D114-D116 PolarHBondContact OD1-N 3.1Å; D114-D116 VanDerWaalsContact OD1-N 3.12Å; D114-A117 HydrophobicContact CB-CB 4.24Å; D114-A117 PolarHBondContact OD1-N 2.91Å; D114-I118 WeakPolarHBondContact O-CG1 3.4Å; D114-I118 PolarHBondContact O-N 3.38Å
115	Y	96.7	Very high	96.1	Very high	17 Å²	17	59.3 Å²	59.3	7%	0.067	30%	0.295	C	S	.	.	H	α-helix	trans	-69.1	-23.5	176.5	61.2	-95.8	0	0	0	112.2	L73 R74 Y78 F106 I113 I118 L119	L73-Y115 HydrophobicContact CB-CD2 4.18Å; L73-Y115 HydrophobicContact CB-CE2 3.85Å; L73-Y115 HydrophobicContact CD1-CD1 4.29Å; L73-Y115 HydrophobicContact CD1-CD2 3.64Å; L73-Y115 HydrophobicContact CD1-CE2 4.2Å; L73-Y115 HydrophobicContact CD1-CG 3.71Å; R74-Y115 WeakPolarHBondContact CB-OH 3.2Å; R74-Y115 WeakPolarHBondContact CD-OH 3.47Å; R74-Y115 HydrophobicContact CG-CE1 4.46Å; R74-Y115 WeakPolarHBondContact CG-OH 3.37Å; Y78-Y115 HydrophobicContact CE2-CD2 4.41Å; Y78-Y115 HydrophobicContact CE2-CE2 4.28Å; F106-Y115 HydrophobicContact CD1-CD1 4.13Å; F106-Y115 AromaticContact CE1-CD1 3.43Å; F106-Y115 HydrophobicContact CE1-CD1 3.43Å; F106-Y115 VanDerWaalsContact CE1-CD1 3.43Å; F106-Y115 HydrophobicContact CE1-CE1 4.08Å; F106-Y115 HydrophobicContact CE1-CG 4.38Å; F106-Y115 HydrophobicContact CE2-CD1 4.18Å; F106-Y115 HydrophobicContact CE2-CG 4.38Å; F106-Y115 AromaticContact CZ-CD1 3.47Å; F106-Y115 HydrophobicContact CZ-CD1 3.47Å; F106-Y115 VanDerWaalsContact CZ-CD1 3.47Å; F106-Y115 HydrophobicContact CZ-CG 4.02Å; I113-Y115 VanDerWaalsContact C-N 3.33Å; I113-Y115 PolarHBondContact O-N 3.27Å; Y115-I118 PolarHBondContact O-N 3.5Å; Y115-L119 VanDerWaalsContact O-CB 3.32Å; Y115-L119 WeakPolarHBondContact O-CB 3.16Å; Y115-L119 PolarHBondContact O-N 2.81Å
116	D	96	Very high	96.2	Very high	72 Å²	72	59 Å²	59	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-66.8	-44.2	178.2	-78.3	-39.9	0	0	0	109.7	Y78 D114 I118 L119 H120	Y78-D116 PolarHBondContact OH-OD1 2.66Å; D114-D116 PolarHBondContact O-N 2.95Å; D114-D116 WeakPolarHBondContact OD1-CB 3.1Å; D114-D116 PolarHBondContact OD1-N 3.1Å; D114-D116 VanDerWaalsContact OD1-N 3.12Å; D116-I118 VanDerWaalsContact C-N 3.31Å; D116-I118 PolarHBondContact O-N 2.91Å; D116-L119 PolarHBondContact O-N 3.24Å; D116-H120 VanDerWaalsContact O-CA 3.24Å; D116-H120 WeakPolarHBondContact O-CA 3.24Å; D116-H120 VanDerWaalsContact O-CB 3.22Å; D116-H120 WeakPolarHBondContact O-CB 3.32Å; D116-H120 PolarHBondContact O-N 3.21Å
117	A	96.2	Very high	96.3	Very high	47 Å²	47	58.5 Å²	58.5	39%	0.388	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-39.5	172.9	0	0	0	0	0	112.6	D114 H120	D114-A117 HydrophobicContact CB-CB 4.24Å; D114-A117 PolarHBondContact OD1-N 2.91Å; A117-H120 PolarHBondContact O-ND1 2.98Å
118	I	97.2	Very high	96.3	Very high	20 Å²	20	58.6 Å²	58.6	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-72.3	-42.1	-179.2	-64.1	170.2	0	0	0	111.3	L33 W36 F37 F83 I113 D114 Y115 D116	L33-I118 HydrophobicContact CD1-CD1 4.24Å; W36-I118 PolarHBondContact NE1-O 3.15Å; F37-I118 HydrophobicContact CZ-CG1 4.23Å; F83-I118 HydrophobicContact CD2-CG2 4.38Å; F83-I118 HydrophobicContact CE2-CG2 3.6Å; F83-I118 HydrophobicContact CZ-CG2 3.7Å; I113-I118 HydrophobicContact CG2-CD1 3.55Å; D114-I118 WeakPolarHBondContact O-CG1 3.4Å; D114-I118 PolarHBondContact O-N 3.38Å; Y115-I118 PolarHBondContact O-N 3.5Å; D116-I118 VanDerWaalsContact C-N 3.31Å; D116-I118 PolarHBondContact O-N 2.91Å
119	L	97.6	Very high	96.1	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-104.3	14.1	-171.6	-59.1	177.7	0	0	0	113.3	L73 Y78 V80 F83 Y115 D116 R121 C122 Y123	L73-L119 HydrophobicContact CD1-CD1 4.31Å; Y78-L119 HydrophobicContact CD1-CB 3.55Å; Y78-L119 HydrophobicContact CD1-CD1 4.26Å; Y78-L119 HydrophobicContact CE1-CB 4.01Å; Y78-L119 HydrophobicContact CG-CB 4.21Å; Y78-L119 HydrophobicContact CG-CD1 4.09Å; V80-L119 HydrophobicContact CG1-CD1 4.31Å; F83-L119 HydrophobicContact CB-CD2 4.12Å; F83-L119 HydrophobicContact CD1-CD2 3.69Å; F83-L119 HydrophobicContact CD2-CD2 4.21Å; F83-L119 HydrophobicContact CE1-CD2 4.13Å; F83-L119 HydrophobicContact CG-CD2 3.72Å; Y115-L119 VanDerWaalsContact O-CB 3.32Å; Y115-L119 WeakPolarHBondContact O-CB 3.16Å; Y115-L119 PolarHBondContact O-N 2.81Å; D116-L119 PolarHBondContact O-N 3.24Å; L119-R121 VanDerWaalsContact C-N 3.27Å; L119-R121 PolarHBondContact O-N 3.41Å; L119-R121 VanDerWaalsContact O-N 3.13Å; L119-C122 HydrophobicContact CB-CB 4.29Å; L119-C122 WeakPolarHBondContact O-CA 3.42Å; L119-C122 VanDerWaalsContact O-CB 3.3Å; L119-C122 WeakPolarHBondContact O-CB 3.44Å; L119-C122 PolarHBondContact O-N 3.13Å; L119-Y123 PolarHBondContact O-N 3.5Å
120	H	95.6	Very high	95.3	Very high	83 Å²	83	58.7 Å²	58.7	38%	0.384	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-53.3	-39.9	-171	66.5	-84.4	0	0	0	113.8	E41 D116 A117 C122	E41-H120 IonicContact OE1-CE1 3.94Å; E41-H120 PolarHBondContact OE1-CE1 3.38Å; E41-H120 VanDerWaalsContact OE1-CE1 3.28Å; E41-H120 IonicContact OE1-NE2 3.8Å; E41-H120 PolarHBondContact OE1-NE2 2.8Å; E41-H120 VanDerWaalsContact OE1-NE2 3.15Å; D116-H120 VanDerWaalsContact O-CA 3.24Å; D116-H120 WeakPolarHBondContact O-CA 3.24Å; D116-H120 VanDerWaalsContact O-CB 3.22Å; D116-H120 WeakPolarHBondContact O-CB 3.32Å; D116-H120 PolarHBondContact O-N 3.21Å; A117-H120 PolarHBondContact O-ND1 2.98Å; H120-C122 VanDerWaalsContact C-N 3.35Å
121	R	97.2	Very high	94.2	Very high	65 Å²	65	62.5 Å²	62.5	25%	0.245	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-79.7	-15.3	177.2	-62.9	-151.3	45	-162.5	-18.4	114.6	V40 E41 A43 P46 L119 Y123	V40-R121 HydrophobicContact CG2-CB 3.65Å; V40-R121 HydrophobicContact CG2-CG 4.13Å; V40-R121 VanDerWaalsContact O-CD 3.3Å; V40-R121 WeakPolarHBondContact O-CD 3.41Å; V40-R121 PolarHBondContact O-NE 3.42Å; V40-R121 PolarHBondContact O-NH1 3.46Å; E41-R121 VanDerWaalsContact C-NH1 3.3Å; E41-R121 PolarHBondContact O-NH1 3.05Å; A43-R121 PolarHBondContact O-NH1 3.35Å; A43-R121 PolarHBondContact O-NH2 2.83Å; P46-R121 HydrophobicContact CG-CB 3.67Å; P46-R121 WeakPolarHBondContact CG-O 3.46Å; L119-R121 VanDerWaalsContact C-N 3.27Å; L119-R121 PolarHBondContact O-N 3.41Å; L119-R121 VanDerWaalsContact O-N 3.13Å; R121-Y123 VanDerWaalsContact C-N 3.34Å
122	C	97.7	Very high	92.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-89.7	-0.9	-179.4	-70.4	0	0	0	0	112.8	Y78 C79 L119 H120 V124	Y78-C122 CarbonylContact C-O 3.54Å; Y78-C122 WeakPolarHBondContact CA-O 3.4Å; C79-C122 PolarHBondContact N-O 3.42Å; C79-C122 VanDerWaalsContact O-CB 3.23Å; C79-C122 WeakPolarHBondContact O-CB 3.38Å; C79-C122 PolarHBondContact O-SG 3.29Å; C79-C122 VanDerWaalsContact O-SG 3.35Å; L119-C122 HydrophobicContact CB-CB 4.29Å; L119-C122 WeakPolarHBondContact O-CA 3.42Å; L119-C122 VanDerWaalsContact O-CB 3.3Å; L119-C122 WeakPolarHBondContact O-CB 3.44Å; L119-C122 PolarHBondContact O-N 3.13Å; H120-C122 VanDerWaalsContact C-N 3.35Å; C122-V124 PolarHBondContact O-N 2.98Å
123	Y	98.2	Very high	90.7	Very high	77 Å²	77	64.4 Å²	64.4	30%	0.302	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	127.2	-179	-178.2	-106.3	0	0	0	111.7	A47 I53 Y78 L119 R121 G125	A47-Y123 WeakPolarHBondContact CB-O 3.42Å; I53-Y123 HydrophobicContact CD1-CE1 4.46Å; I53-Y123 HydrophobicContact CG1-CE1 4.35Å; I53-Y123 HydrophobicContact CG2-CE1 4.13Å; Y78-Y123 HydrophobicContact CD1-CD2 4.41Å; Y78-Y123 AromaticContact CE1-CD2 3.95Å; Y78-Y123 HydrophobicContact CE1-CD2 3.95Å; L119-Y123 PolarHBondContact O-N 3.5Å; R121-Y123 VanDerWaalsContact C-N 3.34Å; Y123-G125 VanDerWaalsContact OH-C 3.27Å; Y123-G125 WeakPolarHBondContact OH-CA 3.42Å
124	V	98.4	Very high	88.2	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-48.6	178.4	173.5	0	0	0	0	110.5	T49 I53 V54 V56 W70 V77 C79 C122	T49-V124 HydrophobicContact CG2-CB 4.3Å; T49-V124 HydrophobicContact CG2-CG1 3.97Å; T49-V124 HydrophobicContact CG2-CG2 4.2Å; I53-V124 WeakPolarHBondContact CA-O 3.3Å; V54-V124 HydrophobicContact CB-CG1 4.15Å; V54-V124 PolarHBondContact N-O 3.08Å; V56-V124 HydrophobicContact CG2-CG1 3.81Å; W70-V124 HydrophobicContact CD2-CG2 4.2Å; W70-V124 HydrophobicContact CE3-CG1 4.14Å; W70-V124 HydrophobicContact CH2-CG1 3.56Å; W70-V124 HydrophobicContact CH2-CG2 4.44Å; W70-V124 HydrophobicContact CZ2-CG1 3.99Å; W70-V124 HydrophobicContact CZ2-CG2 4.05Å; W70-V124 HydrophobicContact CZ3-CG1 3.64Å; V77-V124 HydrophobicContact CB-CB 4.27Å; V77-V124 HydrophobicContact CG1-CB 4.1Å; V77-V124 HydrophobicContact CG1-CG1 4.41Å; V77-V124 HydrophobicContact CG1-CG2 4.43Å; V77-V124 WeakPolarHBondContact O-CB 3.38Å; V77-V124 PolarHBondContact O-N 3.43Å; C79-V124 HydrophobicContact CB-CG2 3.97Å; C122-V124 PolarHBondContact O-N 2.98Å
125	G	98.1	Very high	86	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.8	-173.8	-176.8	0	0	0	0	0	113.8	V54 V77 Y123	V54-G125 WeakPolarHBondContact O-CA 2.93Å; V77-G125 PolarHBondContact N-O 3.28Å; Y123-G125 VanDerWaalsContact OH-C 3.27Å; Y123-G125 WeakPolarHBondContact OH-CA 3.42Å
126	P	98.1	Very high	84	Confident	43 Å²	43	68 Å²	68	28%	0.279	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	143.1	-178.7	30.2	-34.2	0	0	0	111.8	P55 V56 I128	P55-P126 HydrophobicContact CB-CG 4.36Å; V56-P126 PolarHBondContact N-O 2.89Å; P126-I128 HydrophobicContact CB-CD1 4.45Å; P126-I128 HydrophobicContact CG-CD1 4.32Å
127	L	98.1	Very high	82	Confident	18 Å²	18	71 Å²	71	9%	0.094	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.8	167.7	-177	69.2	0	0	0	109.4	V56 E58 L61 A72 G75 V77 R129	V56-L127 CarbonylContact O-C 3.55Å; V56-L127 WeakPolarHBondContact O-CA 3.11Å; E58-L127 HydrophobicContact CG-CD1 4.33Å; L61-L127 HydrophobicContact CD2-CD1 4.05Å; A72-L127 HydrophobicContact CB-CB 4.43Å; A72-L127 HydrophobicContact CB-CD1 4.43Å; A72-L127 HydrophobicContact CB-CD2 3.83Å; A72-L127 HydrophobicContact CB-CG 4.46Å; G75-L127 PolarHBondContact O-N 2.88Å; V77-L127 HydrophobicContact CG2-CB 3.97Å; V77-L127 HydrophobicContact CG2-CD1 4.15Å; L127-R129 HydrophobicContact CD2-CG 4.41Å
128	I	96.7	Very high	80	Confident	73 Å²	73	72.7 Å²	72.7	37%	0.374	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112	175.9	-52.8	-55	0	0	0	108.3	P55 V56 T57 P126	P55-I128 HydrophobicContact CB-CD1 4.1Å; P55-I128 HydrophobicContact CB-CG1 3.73Å; V56-I128 PolarHBondContact O-N 2.84Å; T57-I128 WeakPolarHBondContact CA-O 3.03Å; T57-I128 HydrophobicContact CG2-CB 4.3Å; P126-I128 HydrophobicContact CB-CD1 4.45Å; P126-I128 HydrophobicContact CG-CD1 4.32Å
129	R	90.4	Very high	77.8	Confident	139 Å²	139	75.5 Å²	75.5	53%	0.525	43%	0.429	S	S	.	.			trans	-92	132.9	171.8	-64.7	-175.7	-178.7	143.3	-2.2	109.2	D101 L127 T131	D101-R129 IonicContact OD2-CZ 3.28Å; D101-R129 IonicContact OD2-NH2 3.15Å; D101-R129 PolarHBondContact OD2-NH2 3Å; L127-R129 HydrophobicContact CD2-CG 4.41Å; R129-T131 PolarHBondContact O-N 2.96Å
130	D	79.4	Confident	75.7	Confident	98 Å²	98	83.3 Å²	83.3	52%	0.524	46%	0.463	S	S	.	.			trans	-64.7	108.7	173.4	-69.8	-29.2	0	0	0	108.9	S132 K133	D130-S132 PolarHBondContact O-N 3.23Å; D130-K133 PolarHBondContact O-N 2.81Å
131	T	68.2	Low	73.5	Confident	144 Å²	144	90.7 Å²	90.7	88%	0.883	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-7.8	176.1	42.6	0	0	0	0	113.3	R129	R129-T131 PolarHBondContact O-N 2.96Å
132	S	59.4	Low	72.3	Confident	104 Å²	104	92 Å²	92	73%	0.727	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.5	177.6	53.2	0	0	0	0	114.3	D130	D130-S132 PolarHBondContact O-N 3.23Å
133	K	55.1	Low	71	Confident	171 Å²	171	96.8 Å²	96.8	74%	0.743	55%	0.546	S	S	*	.	S	Bend	trans	-97.5	90.3	166.6	-68.5	-177.7	-173.3	171.7	0	107.9	D130	D130-K133 PolarHBondContact O-N 2.81Å
134	G	42.1	Very low	69.5	Low	61 Å²	61	97.9 Å²	97.9	63%	0.629	56%	0.559	S	S	*	*			trans	-44.1	135.8	-167.1	0	0	0	0	0	115	P136	G134-P136 WeakPolarHBondContact O-CD 3.26Å
135	N	48.9	Very low	67.8	Low	103 Å²	103	103.6 Å²	103.6	55%	0.551	59%	0.592	S	S	*	*			trans	-66.3	113.8	162.6	179.3	15	0	0	0	108.6	L137 A138	N135-L137 PolarHBondContact O-N 2.97Å; N135-L137 VanDerWaalsContact OD1-CB 3.31Å; N135-L137 WeakPolarHBondContact OD1-CB 3.48Å; N135-L137 PolarHBondContact OD1-N 3.21Å; N135-A138 HydrophobicContact CB-CB 4.28Å; N135-A138 PolarHBondContact ND2-N 3.19Å; N135-A138 PolarHBondContact O-N 3.35Å
136	P	54.7	Low	65.9	Low	104 Å²	104	110.1 Å²	110.1	68%	0.675	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-67.2	-13	174.1	-15.1	30.7	0	0	0	112.5	G134	G134-P136 WeakPolarHBondContact O-CD 3.26Å
137	L	55.3	Low	63.7	Low	134 Å²	134	114.6 Å²	114.6	70%	0.702	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-95.1	-1.9	-177.2	-64	169.4	0	0	0	114.2	N135 A139	N135-L137 PolarHBondContact O-N 2.97Å; N135-L137 VanDerWaalsContact OD1-CB 3.31Å; N135-L137 WeakPolarHBondContact OD1-CB 3.48Å; N135-L137 PolarHBondContact OD1-N 3.21Å; L137-A139 VanDerWaalsContact C-N 3.25Å
138	A	54	Low	61.3	Low	83 Å²	83	121.5 Å²	121.5	69%	0.686	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-86.8	7.1	170.3	0	0	0	0	0	113	N135	N135-A138 HydrophobicContact CB-CB 4.28Å; N135-A138 PolarHBondContact ND2-N 3.19Å; N135-A138 PolarHBondContact O-N 3.35Å
139	A	50.7	Low	58.5	Low	79 Å²	79	125.2 Å²	125.2	65%	0.653	72%	0.717	S	S	*	*	S	Bend	trans	-100.5	16.9	-179.1	0	0	0	0	0	113.9	L137	L137-A139 VanDerWaalsContact C-N 3.25Å
140	F	53.2	Low	55.9	Low	171 Å²	171	124.1 Å²	124.1	75%	0.75	73%	0.733	S	S	*	*			trans	-130.5	71.5	178.2	-58	-75.9	0	0	0	110.4
141	D	49.6	Very low	53.7	Low	237 Å²	237	126.5 Å²	126.5	100%	1.267	75%	0.752	S	S	*	*			trans	-120.9	0	155	-115	-33.3	0	0	0	107.3

Retrieved 141 of 141 residues in 107.1 ms (Link to these results)

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