A0A060VNL4_ONCMY Loading...

Ankyrin repeat domain 39

AlphaFold DB , UniProt , Accession A0A060VNL4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ankrd39, Length 184 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.8	Very low	37.3	Very low	239 Å²	239	145.1 Å²	145.1	100%	1.177	83%	0.831	S	S	*	*				0	89.4	0	-61.3	160.7	73.9	0	0	107.6
2	S	35.3	Very low	37.4	Very low	129 Å²	129	142.8 Å²	142.8	90%	0.902	83%	0.828	S	S	*	*			trans	-147.8	117.3	167.7	-72.8	0	0	0	0	108.5
3	S	40.3	Very low	37.5	Very low	123 Å²	123	138.8 Å²	138.8	86%	0.86	81%	0.812	S	S	*	*			trans	-65.6	125.4	178.4	45.3	0	0	0	0	112.3
4	G	33.3	Very low	37.9	Very low	67 Å²	67	137.3 Å²	137.3	69%	0.691	81%	0.812	S	S	*	*			trans	-114.7	61.7	167	0	0	0	0	0	110.6	H6	G4-H6 PolarHBondContact O-N 3.24Å; G4-H6 PolarHBondContact O-ND1 3.3Å
5	G	33.3	Very low	38.2	Very low	66 Å²	66	139 Å²	139	68%	0.68	81%	0.809	S	S	*	*			trans	-71.2	107.9	174.5	0	0	0	0	0	109.9	Q7	G5-Q7 PolarHBondContact O-N 3.11Å; G5-Q7 VanDerWaalsContact O-N 3.11Å
6	H	39.7	Very low	38.3	Very low	183 Å²	183	141.3 Å²	141.3	85%	0.847	81%	0.809	S	S	*	*			trans	-69.2	104	169.4	-70.2	72.6	0	0	0	107.8	G4 C8	G4-H6 PolarHBondContact O-N 3.24Å; G4-H6 PolarHBondContact O-ND1 3.3Å; H6-C8 PolarHBondContact O-N 3.47Å; H6-C8 VanDerWaalsContact O-N 3.12Å
7	Q	34.3	Very low	38.5	Very low	190 Å²	190	142.9 Å²	142.9	89%	0.888	81%	0.814	S	S	*	*			trans	-69.9	103.4	171.6	-70.4	173.5	68.7	0	0	107.8	G5 N9	G5-Q7 PolarHBondContact O-N 3.11Å; G5-Q7 VanDerWaalsContact O-N 3.11Å; Q7-N9 PolarHBondContact O-N 2.9Å
8	C	36.7	Very low	38.3	Very low	105 Å²	105	140.1 Å²	140.1	71%	0.709	81%	0.811	S	S	*	*			trans	-57	123.7	161.2	-86.1	0	0	0	0	108.1	H6 V10	H6-C8 PolarHBondContact O-N 3.47Å; H6-C8 VanDerWaalsContact O-N 3.12Å; C8-V10 HydrophobicContact CB-CG1 4.44Å; C8-V10 PolarHBondContact O-N 3.12Å
9	N	35.3	Very low	38.1	Very low	150 Å²	150	138.3 Å²	138.3	80%	0.802	81%	0.807	S	S	*	*			trans	-75.3	71.2	179.5	-156.2	-2.8	0	0	0	109.5	Q7 R11	Q7-N9 PolarHBondContact O-N 2.9Å; N9-R11 VanDerWaalsContact C-N 3.29Å; N9-R11 PolarHBondContact O-N 3.37Å; N9-R11 VanDerWaalsContact O-N 3.14Å
10	V	40.5	Very low	38.4	Very low	126 Å²	126	136.7 Å²	136.7	76%	0.764	80%	0.801	S	S	*	*			trans	-83.4	71.8	173.6	-72.1	0	0	0	0	109.8	C8 C12	C8-V10 HydrophobicContact CB-CG1 4.44Å; C8-V10 PolarHBondContact O-N 3.12Å; V10-C12 PolarHBondContact O-N 3.49Å
11	R	37.1	Very low	38.3	Very low	218 Å²	218	135 Å²	135	82%	0.823	80%	0.796	S	S	*	*			trans	-77.8	67.3	157.9	-83.3	-173.2	167.9	-176.7	-2.8	108.9	N9 C13	N9-R11 VanDerWaalsContact C-N 3.29Å; N9-R11 PolarHBondContact O-N 3.37Å; N9-R11 VanDerWaalsContact O-N 3.14Å; R11-C13 PolarHBondContact O-N 2.82Å
12	C	37.9	Very low	38	Very low	118 Å²	118	129 Å²	129	80%	0.797	79%	0.785	S	S	*	*			trans	-73.1	91.9	158.5	-153.3	0	0	0	0	105.2	V10 S14	V10-C12 PolarHBondContact O-N 3.49Å; C12-S14 PolarHBondContact O-N 3.47Å
13	C	38.4	Very low	38.4	Very low	91 Å²	91	130.8 Å²	130.8	62%	0.615	78%	0.779	S	S	*	*			trans	-60.9	101.1	177.3	-73.3	0	0	0	0	108.9	R11 H15	R11-C13 PolarHBondContact O-N 2.82Å; C13-H15 PolarHBondContact O-N 3.46Å
14	S	43.1	Very low	38.8	Very low	117 Å²	117	130 Å²	130	82%	0.818	76%	0.762	S	S	*	*			trans	-65.4	81.2	160.8	45.5	0	0	0	0	108.8	C12 Q16	C12-S14 PolarHBondContact O-N 3.47Å; S14-Q16 PolarHBondContact O-N 3.01Å
15	H	42.6	Very low	39.4	Very low	163 Å²	163	130.1 Å²	130.1	76%	0.755	75%	0.749	S	S	*	*			trans	-88.1	105	165.2	-78.9	105.6	0	0	0	109.1	C13	C13-H15 PolarHBondContact O-N 3.46Å
16	Q	40.9	Very low	40.4	Very low	175 Å²	175	134 Å²	134	82%	0.818	75%	0.753	S	S	*	*			trans	-13.3	122.5	151.9	-163.8	74.3	11.7	0	0	113.8	S14 A18	S14-Q16 PolarHBondContact O-N 3.01Å; Q16-A18 PolarHBondContact O-N 3.18Å
17	L	41.1	Very low	41.2	Very low	170 Å²	170	131.6 Å²	131.6	89%	0.89	75%	0.747	S	S	*	*			trans	-60.2	99.1	166.1	-68.5	165.4	0	0	0	108.8	S19	L17-S19 PolarHBondContact O-N 3.18Å
18	A	34.7	Very low	42.2	Very low	92 Å²	92	127.1 Å²	127.1	76%	0.76	73%	0.726	S	S	*	*			trans	-71.1	114.4	160.5	0	0	0	0	0	107.1	Q16	Q16-A18 PolarHBondContact O-N 3.18Å
19	S	35.5	Very low	43.2	Very low	105 Å²	105	126 Å²	126	73%	0.734	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-57.7	130.6	170.5	-52.6	0	0	0	0	108.9	L17 S21	L17-S19 PolarHBondContact O-N 3.18Å; S19-S21 PolarHBondContact O-N 3.16Å; S19-S21 VanDerWaalsContact O-N 3.12Å
20	P	42.6	Very low	44.7	Very low	106 Å²	106	124 Å²	124	69%	0.688	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-66.8	117.7	-179.2	23.4	-28.3	0	0	0	109.4	A22	P20-A22 PolarHBondContact O-N 3.2Å
21	S	37.4	Very low	46.2	Very low	101 Å²	101	121.4 Å²	121.4	71%	0.706	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-56.9	133.4	169.5	-79.5	0	0	0	0	109.8	S19 H23	S19-S21 PolarHBondContact O-N 3.16Å; S19-S21 VanDerWaalsContact O-N 3.12Å; S21-H23 PolarHBondContact O-N 2.89Å
22	A	38.3	Very low	47.8	Very low	113 Å²	113	114.8 Å²	114.8	93%	0.934	66%	0.657	S	S	*	*	S	Bend	trans	-73	42.4	-170.6	0	0	0	0	0	114.9	P20	P20-A22 PolarHBondContact O-N 3.2Å
23	H	43.2	Very low	49.8	Very low	168 Å²	168	114.9 Å²	114.9	78%	0.778	64%	0.641	S	S	*	*			trans	-143.7	40.1	177.3	-140.5	-44.2	0	0	0	113.3	S21	S21-H23 PolarHBondContact O-N 2.89Å
24	Q	49.4	Very low	52.4	Low	107 Å²	107	110.8 Å²	110.8	50%	0.5	61%	0.614	S	S	.	*			trans	-91.2	123.4	171.8	-72.5	178.5	-12.6	0	0	110	E28	Q24-E28 WeakPolarHBondContact CA-OE2 3.35Å
25	T	46.2	Very low	54.8	Low	69 Å²	69	105.2 Å²	105.2	42%	0.423	58%	0.575	S	S	.	*			trans	-75.4	153.5	-177.9	55.7	0	0	0	0	110.6	D27 E28 M29	T25-D27 PolarHBondContact O-N 3.26Å; T25-D27 VanDerWaalsContact O-N 3.13Å; T25-E28 PolarHBondContact N-OE2 2.8Å; T25-E28 PolarHBondContact O-N 3.35Å; T25-E28 WeakPolarHBondContact OG1-CG 3.32Å; T25-E28 PolarHBondContact OG1-OE2 3.42Å; T25-M29 PolarHBondContact O-N 3.1Å
26	L	54	Low	57.3	Low	146 Å²	146	99.2 Å²	99.2	76%	0.764	55%	0.546	S	S	*	.	H	α-helix	trans	-55.6	-30.5	-179.8	-75.2	166	0	0	0	112.9	M29 D30	L26-M29 PolarHBondContact O-N 3.05Å; L26-D30 PolarHBondContact O-N 3.36Å
27	D	56.3	Low	59.9	Low	133 Å²	133	93.3 Å²	93.3	71%	0.711	52%	0.524	S	S	*	.	H	α-helix	trans	-69.5	-28.9	177.8	-66.4	-26.1	0	0	0	113.2	T25 F31	T25-D27 PolarHBondContact O-N 3.26Å; T25-D27 VanDerWaalsContact O-N 3.13Å; D27-F31 PolarHBondContact O-N 3.19Å
28	E	54.9	Low	62.6	Low	97 Å²	97	85.3 Å²	85.3	45%	0.453	48%	0.482	S	S	.	.	H	α-helix	trans	-76.7	-35.3	176.4	-69.9	167.9	150.2	0	0	111.5	Q24 T25 F31 E32	Q24-E28 WeakPolarHBondContact CA-OE2 3.35Å; T25-E28 PolarHBondContact N-OE2 2.8Å; T25-E28 PolarHBondContact O-N 3.35Å; T25-E28 WeakPolarHBondContact OG1-CG 3.32Å; T25-E28 PolarHBondContact OG1-OE2 3.42Å; E28-F31 PolarHBondContact O-N 3.05Å; E28-E32 PolarHBondContact O-N 2.68Å
29	M	58.2	Low	65.5	Low	80 Å²	80	80.9 Å²	80.9	39%	0.394	45%	0.446	S	S	.	.	H	α-helix	trans	-65.9	-37.7	175.5	-71.2	-175	77.2	0	0	112.1	T25 L26 F31 R33	T25-M29 PolarHBondContact O-N 3.1Å; L26-M29 PolarHBondContact O-N 3.05Å; M29-F31 VanDerWaalsContact C-N 3.35Å; M29-R33 WeakPolarHBondContact O-CB 3.34Å; M29-R33 WeakPolarHBondContact O-CD 3.47Å; M29-R33 WeakPolarHBondContact O-CG 3.4Å; M29-R33 PolarHBondContact O-N 3.07Å; M29-R33 VanDerWaalsContact O-N 3.11Å
30	D	66.9	Low	68.5	Low	109 Å²	109	79.6 Å²	79.6	58%	0.583	43%	0.429	S	S	*	.	H	α-helix	trans	-70.3	-32.1	176.6	-85.6	-4.8	0	0	0	112.6	L26 G34	L26-D30 PolarHBondContact O-N 3.36Å; D30-G34 PolarHBondContact O-N 3.43Å; D30-G34 VanDerWaalsContact O-N 3.14Å
31	F	72.3	Confident	71	Confident	71 Å²	71	80.2 Å²	80.2	31%	0.311	43%	0.426	S	S	.	.	H	α-helix	trans	-65	-51.5	176.8	179.6	-99.8	0	0	0	112	D27 E28 M29 G34 L50 K53 T55	D27-F31 PolarHBondContact O-N 3.19Å; E28-F31 PolarHBondContact O-N 3.05Å; M29-F31 VanDerWaalsContact C-N 3.35Å; F31-G34 PolarHBondContact O-N 3.11Å; F31-L50 HydrophobicContact CD2-CD2 3.87Å; F31-L50 HydrophobicContact CE1-CD2 4.43Å; F31-L50 HydrophobicContact CE2-CD2 3.39Å; F31-L50 HydrophobicContact CZ-CD2 3.69Å; F31-K53 HydrophobicContact CE1-CB 4.48Å; F31-K53 HydrophobicContact CE2-CB 4.34Å; F31-K53 HydrophobicContact CE2-CD 3.59Å; F31-K53 HydrophobicContact CZ-CB 3.59Å; F31-K53 HydrophobicContact CZ-CD 3.72Å; F31-K53 HydrophobicContact CZ-CG 4.33Å; F31-T55 WeakPolarHBondContact CE1-OG1 3.26Å
32	E	69.8	Low	73.9	Confident	79 Å²	79	76.4 Å²	76.4	37%	0.369	40%	0.403	S	S	.	.	H	α-helix	trans	-68	-38.9	-179.5	-73.6	-172.1	167.1	0	0	112.4	E28 G34 I35 L59	E28-E32 PolarHBondContact O-N 2.68Å; E32-G34 PolarHBondContact O-N 3.32Å; E32-I35 WeakPolarHBondContact O-CG2 3.25Å; E32-I35 PolarHBondContact O-N 2.65Å; E32-L59 HydrophobicContact CB-CD2 3.73Å; E32-L59 HydrophobicContact CG-CD2 4.4Å; E32-L59 WeakPolarHBondContact O-CD2 3.4Å
33	R	80.8	Confident	76.7	Confident	121 Å²	121	74.3 Å²	74.3	46%	0.457	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-28.2	173.5	-78	172.1	142.9	164.7	-2.7	113.4	M29 I35 W36	M29-R33 WeakPolarHBondContact O-CB 3.34Å; M29-R33 WeakPolarHBondContact O-CD 3.47Å; M29-R33 WeakPolarHBondContact O-CG 3.4Å; M29-R33 PolarHBondContact O-N 3.07Å; M29-R33 VanDerWaalsContact O-N 3.11Å; R33-I35 PolarHBondContact O-N 2.96Å; R33-I35 VanDerWaalsContact O-N 3.1Å; R33-W36 HydrophobicContact CB-CE3 4.35Å; R33-W36 HydrophobicContact CB-CZ3 4.23Å; R33-W36 HydrophobicContact CG-CE3 4.18Å; R33-W36 HydrophobicContact CG-CH2 4.3Å; R33-W36 HydrophobicContact CG-CZ3 3.6Å; R33-W36 PolarHBondContact O-N 3.27Å
34	G	91.3	Very high	79.4	Confident	4 Å²	4	68.2 Å²	68.2	4%	0.041	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-22.8	-176.5	0	0	0	0	0	114.2	D30 F31 E32 S37 A38 L50	D30-G34 PolarHBondContact O-N 3.43Å; D30-G34 VanDerWaalsContact O-N 3.14Å; F31-G34 PolarHBondContact O-N 3.11Å; E32-G34 PolarHBondContact O-N 3.32Å; G34-S37 PolarHBondContact O-OG 3.06Å; G34-A38 WeakPolarHBondContact O-CB 3.42Å; G34-A38 PolarHBondContact O-N 3.01Å; G34-A38 VanDerWaalsContact O-N 3.09Å; G34-L50 VanDerWaalsContact C-CD1 3.41Å; G34-L50 WeakPolarHBondContact O-CD1 3.38Å
35	I	95	Very high	81.7	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-73.6	-32.9	-179.5	-160.5	172.1	0	0	0	112.1	E32 R33 A39 L50 L51 T55 L59 A67 L83	E32-I35 WeakPolarHBondContact O-CG2 3.25Å; E32-I35 PolarHBondContact O-N 2.65Å; R33-I35 PolarHBondContact O-N 2.96Å; R33-I35 VanDerWaalsContact O-N 3.1Å; I35-A39 WeakPolarHBondContact O-CB 3.37Å; I35-A39 PolarHBondContact O-N 3.2Å; I35-L50 HydrophobicContact CB-CD1 3.96Å; I35-L50 HydrophobicContact CG1-CD1 4.41Å; I35-L51 HydrophobicContact CD1-CD2 3.55Å; I35-L51 HydrophobicContact CD1-CG 4.01Å; I35-T55 HydrophobicContact CB-CG2 4.19Å; I35-T55 HydrophobicContact CD1-CG2 3.89Å; I35-T55 HydrophobicContact CG2-CG2 4.12Å; I35-L59 HydrophobicContact CG2-CD2 4.33Å; I35-A67 HydrophobicContact CD1-CB 4.42Å; I35-A67 HydrophobicContact CG1-CB 4.08Å; I35-A67 HydrophobicContact CG2-CB 4.42Å; I35-L83 HydrophobicContact CD1-CD2 4.41Å
36	W	95.3	Very high	84	Confident	36 Å²	36	71.5 Å²	71.5	14%	0.136	35%	0.354	C	S	.	.	H	α-helix	trans	-73.3	-42.8	179.9	-54.4	-40.1	0	0	0	111.9	R33 A39 M40 L59 R60 D61 Y70	R33-W36 HydrophobicContact CB-CE3 4.35Å; R33-W36 HydrophobicContact CB-CZ3 4.23Å; R33-W36 HydrophobicContact CG-CE3 4.18Å; R33-W36 HydrophobicContact CG-CH2 4.3Å; R33-W36 HydrophobicContact CG-CZ3 3.6Å; R33-W36 PolarHBondContact O-N 3.27Å; W36-A39 PolarHBondContact O-N 3.03Å; W36-M40 WeakPolarHBondContact O-CB 3.11Å; W36-M40 PolarHBondContact O-N 3.21Å; W36-L59 HydrophobicContact CH2-CD2 4.33Å; W36-L59 HydrophobicContact CZ2-CD2 3.65Å; W36-L59 HydrophobicContact CZ2-CG 3.78Å; W36-L59 PolarHBondContact NE1-O 3.29Å; W36-R60 VanDerWaalsContact CZ2-O 3.28Å; W36-R60 WeakPolarHBondContact CZ2-O 2.83Å; W36-D61 HydrophobicContact CD2-CB 3.7Å; W36-D61 HydrophobicContact CE3-CB 3.49Å; W36-D61 VanDerWaalsContact CE3-CB 3.49Å; W36-D61 HydrophobicContact CH2-CB 3.46Å; W36-D61 VanDerWaalsContact CH2-CB 3.46Å; W36-D61 HydrophobicContact CZ2-CB 3.61Å; W36-D61 HydrophobicContact CZ3-CB 3.32Å; W36-Y70 HydrophobicContact CB-CD2 3.77Å; W36-Y70 HydrophobicContact CB-CE2 3.72Å; W36-Y70 HydrophobicContact CG-CD2 4.16Å; W36-Y70 AromaticContact CG-CE2 3.89Å; W36-Y70 HydrophobicContact CG-CE2 3.89Å
37	S	94.9	Very high	86.1	Confident	52 Å²	52	64.5 Å²	64.5	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-47.1	175	56.3	0	0	0	0	111	G34 A39 M40 D41	G34-S37 PolarHBondContact O-OG 3.06Å; S37-A39 PolarHBondContact O-N 3.33Å; S37-M40 WeakPolarHBondContact O-CB 3.42Å; S37-M40 PolarHBondContact O-N 3.2Å; S37-D41 WeakPolarHBondContact O-CB 3.46Å; S37-D41 VanDerWaalsContact O-CG 3.29Å; S37-D41 PolarHBondContact O-N 2.83Å
38	A	96.8	Very high	88.1	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-56.3	-39.9	175	0	0	0	0	0	112.2	G34 G42 D43 R46 V47	G34-A38 WeakPolarHBondContact O-CB 3.42Å; G34-A38 PolarHBondContact O-N 3.01Å; G34-A38 VanDerWaalsContact O-N 3.09Å; A38-G42 PolarHBondContact O-N 3.21Å; A38-D43 HydrophobicContact CB-CB 4.39Å; A38-D43 PolarHBondContact O-N 3.46Å; A38-R46 HydrophobicContact CB-CB 3.93Å; A38-R46 HydrophobicContact CB-CG 3.72Å; A38-V47 HydrophobicContact CB-CG2 3.69Å
39	A	97.6	Very high	90	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-70.4	-36.7	176.3	0	0	0	0	0	113.3	I35 W36 S37 V47 A67 A71 H76 V79	I35-A39 WeakPolarHBondContact O-CB 3.37Å; I35-A39 PolarHBondContact O-N 3.2Å; W36-A39 PolarHBondContact O-N 3.03Å; S37-A39 PolarHBondContact O-N 3.33Å; A39-V47 HydrophobicContact CB-CG2 4.45Å; A39-A67 HydrophobicContact CB-CB 3.83Å; A39-A67 WeakPolarHBondContact CB-O 3.43Å; A39-A71 HydrophobicContact CB-CB 4.17Å; A39-A71 VanDerWaalsContact O-CA 3.29Å; A39-A71 WeakPolarHBondContact O-CA 3.43Å; A39-H76 PolarHBondContact O-CD2 3.49Å; A39-V79 HydrophobicContact CB-CG1 4.16Å
40	M	96.6	Very high	91.7	Very high	77 Å²	77	55.2 Å²	55.2	38%	0.379	27%	0.274	S	S	.	.	H	α-helix	trans	-66.4	-37.6	175.4	-177.4	178.9	-70.4	0	0	112.4	W36 S37 Y70 S74 H76	W36-M40 WeakPolarHBondContact O-CB 3.11Å; W36-M40 PolarHBondContact O-N 3.21Å; S37-M40 WeakPolarHBondContact O-CB 3.42Å; S37-M40 PolarHBondContact O-N 3.2Å; M40-Y70 HydrophobicContact CE-CD1 3.23Å; M40-Y70 HydrophobicContact CE-CE1 3.46Å; M40-Y70 VanDerWaalsContact CE-CE1 3.46Å; M40-Y70 HydrophobicContact CE-CG 4.22Å; M40-S74 WeakPolarHBondContact O-CB 3.32Å; M40-S74 PolarHBondContact O-OG 3.29Å; M40-H76 PolarHBondContact O-CD2 3.43Å; M40-H76 VanDerWaalsContact O-CD2 3.3Å; M40-H76 PolarHBondContact O-NE2 3.25Å
41	D	96.8	Very high	93.1	Very high	119 Å²	119	51.2 Å²	51.2	64%	0.636	25%	0.253	S	S	*	.	H	α-helix	trans	-86.4	-11.9	-177.5	-63.2	-24.7	0	0	0	113	S37 D43	S37-D41 WeakPolarHBondContact O-CB 3.46Å; S37-D41 VanDerWaalsContact O-CG 3.29Å; S37-D41 PolarHBondContact O-N 2.83Å; D41-D43 VanDerWaalsContact C-N 3.34Å
42	G	97.5	Very high	94.1	Very high	21 Å²	21	56.4 Å²	56.4	22%	0.216	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	15.6	-178.2	0	0	0	0	0	114.2	A38 L44 H76	A38-G42 PolarHBondContact O-N 3.21Å; G42-L44 VanDerWaalsContact C-N 3.32Å; G42-L44 PolarHBondContact O-N 3.41Å; G42-H76 WeakPolarHBondContact CA-CD2 3.45Å; G42-H76 PolarHBondContact N-CD2 3.08Å; G42-H76 PolarHBondContact N-NE2 3.4Å
43	D	98	Very high	95.2	Very high	69 Å²	69	59.4 Å²	59.4	37%	0.369	29%	0.287	S	S	.	.			trans	-74.9	82.6	179.2	-172.8	-12	0	0	0	110.9	A38 D41 E45 R46 V47	A38-D43 HydrophobicContact CB-CB 4.39Å; A38-D43 PolarHBondContact O-N 3.46Å; D41-D43 VanDerWaalsContact C-N 3.34Å; D43-E45 VanDerWaalsContact C-N 3.28Å; D43-E45 PolarHBondContact O-N 3.33Å; D43-E45 PolarHBondContact OD1-N 3.02Å; D43-R46 HydrophobicContact CB-CB 4.03Å; D43-R46 PolarHBondContact O-N 2.9Å; D43-R46 WeakPolarHBondContact OD1-CB 3.42Å; D43-R46 PolarHBondContact OD1-N 3.45Å; D43-R46 WeakPolarHBondContact OD2-CB 3.44Å; D43-V47 WeakPolarHBondContact O-CG2 3.31Å; D43-V47 PolarHBondContact O-N 3.34Å
44	L	98.1	Very high	95.7	Very high	40 Å²	40	56.8 Å²	56.8	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-38.1	-179.2	177.8	62.4	0	0	0	112.8	G42 V47 K48 V79 F82	G42-L44 VanDerWaalsContact C-N 3.32Å; G42-L44 PolarHBondContact O-N 3.41Å; L44-V47 PolarHBondContact O-N 3.5Å; L44-K48 HydrophobicContact CD1-CD 4.47Å; L44-K48 HydrophobicContact CD1-CG 4.35Å; L44-K48 HydrophobicContact CG-CD 4.16Å; L44-K48 HydrophobicContact CG-CG 4.5Å; L44-K48 WeakPolarHBondContact O-CB 3.29Å; L44-K48 VanDerWaalsContact O-CG 3.29Å; L44-K48 WeakPolarHBondContact O-CG 3.43Å; L44-K48 PolarHBondContact O-N 3.43Å; L44-V79 HydrophobicContact CB-CG2 4.11Å; L44-V79 HydrophobicContact CD1-CG2 4.36Å; L44-F82 HydrophobicContact CD1-CB 3.64Å; L44-F82 HydrophobicContact CD1-CD1 4.19Å; L44-F82 HydrophobicContact CD1-CG 3.91Å
45	E	97.8	Very high	95.7	Very high	118 Å²	118	57 Å²	57	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-71.4	-36.9	-177.3	-67	-52.6	124	0	0	111.3	D43 K48 S49	D43-E45 VanDerWaalsContact C-N 3.28Å; D43-E45 PolarHBondContact O-N 3.33Å; D43-E45 PolarHBondContact OD1-N 3.02Å; E45-K48 PolarHBondContact O-N 2.85Å; E45-K48 WeakPolarHBondContact OE1-CD 3.43Å; E45-K48 IonicContact OE1-NZ 3.77Å; E45-K48 PolarHBondContact OE1-NZ 3.08Å; E45-S49 WeakPolarHBondContact O-CB 3.32Å; E45-S49 PolarHBondContact O-N 3.34Å
46	R	96	Very high	95.7	Very high	127 Å²	127	61 Å²	61	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-66.1	-43.6	171.5	-174.3	172.2	-178.3	128	3.9	111.9	A38 D43 K48 S49 L50	A38-R46 HydrophobicContact CB-CB 3.93Å; A38-R46 HydrophobicContact CB-CG 3.72Å; D43-R46 HydrophobicContact CB-CB 4.03Å; D43-R46 PolarHBondContact O-N 2.9Å; D43-R46 WeakPolarHBondContact OD1-CB 3.42Å; D43-R46 PolarHBondContact OD1-N 3.45Å; D43-R46 WeakPolarHBondContact OD2-CB 3.44Å; R46-K48 PolarHBondContact O-N 2.96Å; R46-S49 PolarHBondContact O-N 3.24Å; R46-L50 HydrophobicContact CG-CD1 4Å; R46-L50 HydrophobicContact CG-CG 4.45Å; R46-L50 VanDerWaalsContact O-CG 3.26Å; R46-L50 WeakPolarHBondContact O-CG 3.33Å; R46-L50 PolarHBondContact O-N 3.18Å
47	V	97.4	Very high	95.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.7	-47.5	174	172.4	0	0	0	0	111.1	A38 A39 D43 L44 S49 L50 L51 V79 F82 L83	A38-V47 HydrophobicContact CB-CG2 3.69Å; A39-V47 HydrophobicContact CB-CG2 4.45Å; D43-V47 WeakPolarHBondContact O-CG2 3.31Å; D43-V47 PolarHBondContact O-N 3.34Å; L44-V47 PolarHBondContact O-N 3.5Å; V47-S49 VanDerWaalsContact C-N 3.35Å; V47-S49 PolarHBondContact O-N 3.2Å; V47-L50 PolarHBondContact O-N 2.97Å; V47-L51 HydrophobicContact CG1-CD1 4.14Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.39Å; V47-V79 HydrophobicContact CG1-CG1 4.49Å; V47-V79 HydrophobicContact CG2-CG1 4.01Å; V47-F82 HydrophobicContact CG1-CD1 4.06Å; V47-F82 HydrophobicContact CG1-CE1 4.45Å; V47-L83 HydrophobicContact CG1-CD2 3.73Å; V47-L83 HydrophobicContact CG1-CG 4.23Å
48	K	97.3	Very high	95.7	Very high	52 Å²	52	59.8 Å²	59.8	23%	0.226	31%	0.313	C	S	.	.	H	α-helix	trans	-57.6	-45.8	175.6	-77	169.7	179.9	171.1	0	112.4	L44 E45 R46 K52 F82	L44-K48 HydrophobicContact CD1-CD 4.47Å; L44-K48 HydrophobicContact CD1-CG 4.35Å; L44-K48 HydrophobicContact CG-CD 4.16Å; L44-K48 HydrophobicContact CG-CG 4.5Å; L44-K48 WeakPolarHBondContact O-CB 3.29Å; L44-K48 VanDerWaalsContact O-CG 3.29Å; L44-K48 WeakPolarHBondContact O-CG 3.43Å; L44-K48 PolarHBondContact O-N 3.43Å; E45-K48 PolarHBondContact O-N 2.85Å; E45-K48 WeakPolarHBondContact OE1-CD 3.43Å; E45-K48 IonicContact OE1-NZ 3.77Å; E45-K48 PolarHBondContact OE1-NZ 3.08Å; R46-K48 PolarHBondContact O-N 2.96Å; K48-K52 WeakPolarHBondContact O-CB 3.34Å; K48-K52 VanDerWaalsContact O-CG 3.27Å; K48-K52 WeakPolarHBondContact O-CG 3.49Å; K48-K52 PolarHBondContact O-N 3.41Å; K48-F82 HydrophobicContact CB-CE1 4.12Å; K48-F82 HydrophobicContact CB-CZ 4.23Å; K48-F82 HydrophobicContact CG-CD1 3.91Å; K48-F82 HydrophobicContact CG-CD2 4.27Å; K48-F82 HydrophobicContact CG-CE1 3.47Å; K48-F82 VanDerWaalsContact CG-CE1 3.47Å; K48-F82 HydrophobicContact CG-CE2 3.88Å; K48-F82 HydrophobicContact CG-CG 4.29Å; K48-F82 HydrophobicContact CG-CZ 3.48Å; K48-F82 VanDerWaalsContact CG-CZ 3.48Å
49	S	95.9	Very high	95.6	Very high	51 Å²	51	61.4 Å²	61.4	36%	0.357	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-44	-179.2	-174	0	0	0	0	111.7	E45 R46 V47 K52 K53	E45-S49 WeakPolarHBondContact O-CB 3.32Å; E45-S49 PolarHBondContact O-N 3.34Å; R46-S49 PolarHBondContact O-N 3.24Å; V47-S49 VanDerWaalsContact C-N 3.35Å; V47-S49 PolarHBondContact O-N 3.2Å; S49-K52 PolarHBondContact O-N 3.43Å; S49-K53 WeakPolarHBondContact O-CG 3.48Å; S49-K53 PolarHBondContact O-N 2.98Å; S49-K53 VanDerWaalsContact O-N 3.14Å
50	L	94.8	Very high	95.4	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-47.5	178.8	-68.6	168.4	0	0	0	111.8	F31 G34 I35 R46 V47 K52 K53 G54 T55	F31-L50 HydrophobicContact CD2-CD2 3.87Å; F31-L50 HydrophobicContact CE1-CD2 4.43Å; F31-L50 HydrophobicContact CE2-CD2 3.39Å; F31-L50 HydrophobicContact CZ-CD2 3.69Å; G34-L50 VanDerWaalsContact C-CD1 3.41Å; G34-L50 WeakPolarHBondContact O-CD1 3.38Å; I35-L50 HydrophobicContact CB-CD1 3.96Å; I35-L50 HydrophobicContact CG1-CD1 4.41Å; R46-L50 HydrophobicContact CG-CD1 4Å; R46-L50 HydrophobicContact CG-CG 4.45Å; R46-L50 VanDerWaalsContact O-CG 3.26Å; R46-L50 WeakPolarHBondContact O-CG 3.33Å; R46-L50 PolarHBondContact O-N 3.18Å; V47-L50 PolarHBondContact O-N 2.97Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.14Å; L50-K53 WeakPolarHBondContact O-CB 3.3Å; L50-K53 PolarHBondContact O-N 3.28Å; L50-K53 VanDerWaalsContact O-N 3.08Å; L50-G54 PolarHBondContact O-N 3.48Å; L50-T55 WeakPolarHBondContact O-CB 3.46Å; L50-T55 PolarHBondContact O-N 3.45Å; L50-T55 PolarHBondContact O-OG1 2.8Å; L50-T55 VanDerWaalsContact O-OG1 3.13Å
51	L	94.4	Very high	95.2	Very high	25 Å²	25	64 Å²	64	13%	0.131	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-39.3	177	-69.5	-177.8	0	0	0	112.4	I35 V47 K53 G54 T55 P57 F82 L83	I35-L51 HydrophobicContact CD1-CD2 3.55Å; I35-L51 HydrophobicContact CD1-CG 4.01Å; V47-L51 HydrophobicContact CG1-CD1 4.14Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.39Å; L51-K53 PolarHBondContact O-N 3.09Å; L51-G54 PolarHBondContact O-N 3.48Å; L51-T55 WeakPolarHBondContact CD2-O 3.39Å; L51-P57 HydrophobicContact CD2-CB 3.86Å; L51-P57 HydrophobicContact CD2-CG 4.47Å; L51-F82 HydrophobicContact CD1-CD1 4.15Å; L51-F82 HydrophobicContact CD1-CE1 3.66Å; L51-L83 HydrophobicContact CD1-CD2 4.06Å
52	K	94.9	Very high	94.9	Very high	180 Å²	180	63.9 Å²	63.9	78%	0.783	34%	0.337	S	S	*	.	H	α-helix	trans	-62.6	-29.6	174.2	-78.5	176.4	179.4	180	0	113.4	K48 S49 L50	K48-K52 WeakPolarHBondContact O-CB 3.34Å; K48-K52 VanDerWaalsContact O-CG 3.27Å; K48-K52 WeakPolarHBondContact O-CG 3.49Å; K48-K52 PolarHBondContact O-N 3.41Å; S49-K52 PolarHBondContact O-N 3.43Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.14Å
53	K	92.4	Very high	94.6	Very high	143 Å²	143	65 Å²	65	62%	0.622	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	0.1	176.9	-74.5	175.5	-179.2	-173.8	0	113.1	F31 S49 L50 L51	F31-K53 HydrophobicContact CE1-CB 4.48Å; F31-K53 HydrophobicContact CE2-CB 4.34Å; F31-K53 HydrophobicContact CE2-CD 3.59Å; F31-K53 HydrophobicContact CZ-CB 3.59Å; F31-K53 HydrophobicContact CZ-CD 3.72Å; F31-K53 HydrophobicContact CZ-CG 4.33Å; S49-K53 WeakPolarHBondContact O-CG 3.48Å; S49-K53 PolarHBondContact O-N 2.98Å; S49-K53 VanDerWaalsContact O-N 3.14Å; L50-K53 WeakPolarHBondContact O-CB 3.3Å; L50-K53 PolarHBondContact O-N 3.28Å; L50-K53 VanDerWaalsContact O-N 3.08Å; L51-K53 PolarHBondContact O-N 3.09Å
54	G	90.4	Very high	94.4	Very high	66 Å²	66	64.9 Å²	64.9	68%	0.68	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.8	9.5	173.1	0	0	0	0	0	115.3	L50 L51 D56	L50-G54 PolarHBondContact O-N 3.48Å; L51-G54 PolarHBondContact O-N 3.48Å; G54-D56 PolarHBondContact O-N 3.12Å
55	T	92.8	Very high	94.3	Very high	9 Å²	9	65.3 Å²	65.3	6%	0.055	34%	0.343	C	S	.	.			trans	-60.5	133.8	171.1	-54	0	0	0	0	110.1	F31 I35 L50 L51 L59	F31-T55 WeakPolarHBondContact CE1-OG1 3.26Å; I35-T55 HydrophobicContact CB-CG2 4.19Å; I35-T55 HydrophobicContact CD1-CG2 3.89Å; I35-T55 HydrophobicContact CG2-CG2 4.12Å; L50-T55 WeakPolarHBondContact O-CB 3.46Å; L50-T55 PolarHBondContact O-N 3.45Å; L50-T55 PolarHBondContact O-OG1 2.8Å; L50-T55 VanDerWaalsContact O-OG1 3.13Å; L51-T55 WeakPolarHBondContact CD2-O 3.39Å; T55-L59 HydrophobicContact CG2-CD2 4.34Å
56	D	93.6	Very high	94.3	Very high	84 Å²	84	59.8 Å²	59.8	45%	0.449	32%	0.317	S	S	.	.			trans	-67.7	123.2	174.4	179.9	1.6	0	0	0	110.3	G54 N58 L59	G54-D56 PolarHBondContact O-N 3.12Å; D56-N58 PolarHBondContact O-N 3.49Å; D56-N58 VanDerWaalsContact O-N 3.14Å; D56-N58 WeakPolarHBondContact OD1-CB 3.43Å; D56-N58 PolarHBondContact OD1-N 3.01Å; D56-L59 HydrophobicContact CB-CB 4.33Å; D56-L59 WeakPolarHBondContact O-CB 3.31Å; D56-L59 PolarHBondContact O-N 2.91Å
57	P	94.3	Very high	94.3	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.143	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.2	174.9	26.6	-36.7	0	0	0	113.9	L51 A88	L51-P57 HydrophobicContact CD2-CB 3.86Å; L51-P57 HydrophobicContact CD2-CG 4.47Å; P57-A88 HydrophobicContact CB-CB 4.17Å
58	N	96	Very high	94.4	Very high	41 Å²	41	53.8 Å²	53.8	22%	0.219	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	7.6	177.6	-64.6	-66.4	0	0	0	113.8	D56 R60 G87 C89	D56-N58 PolarHBondContact O-N 3.49Å; D56-N58 VanDerWaalsContact O-N 3.14Å; D56-N58 WeakPolarHBondContact OD1-CB 3.43Å; D56-N58 PolarHBondContact OD1-N 3.01Å; N58-R60 PolarHBondContact O-N 2.85Å; N58-G87 PolarHBondContact ND2-O 3.36Å; N58-G87 VanDerWaalsContact ND2-O 3.12Å; N58-C89 WeakPolarHBondContact OD1-CB 3.27Å; N58-C89 PolarHBondContact OD1-N 3.4Å; N58-C89 PolarHBondContact OD1-SG 3.22Å; N58-C89 VanDerWaalsContact OD1-SG 3.39Å
59	L	94.6	Very high	94.4	Very high	34 Å²	34	51.4 Å²	51.4	18%	0.178	28%	0.284	C	S	.	.			trans	-53.6	129.6	179	-173.2	76.2	0	0	0	111	E32 I35 W36 T55 D56	E32-L59 HydrophobicContact CB-CD2 3.73Å; E32-L59 HydrophobicContact CG-CD2 4.4Å; E32-L59 WeakPolarHBondContact O-CD2 3.4Å; I35-L59 HydrophobicContact CG2-CD2 4.33Å; W36-L59 HydrophobicContact CH2-CD2 4.33Å; W36-L59 HydrophobicContact CZ2-CD2 3.65Å; W36-L59 HydrophobicContact CZ2-CG 3.78Å; W36-L59 PolarHBondContact NE1-O 3.29Å; T55-L59 HydrophobicContact CG2-CD2 4.34Å; D56-L59 HydrophobicContact CB-CB 4.33Å; D56-L59 WeakPolarHBondContact O-CB 3.31Å; D56-L59 PolarHBondContact O-N 2.91Å
60	R	94.2	Very high	94.5	Very high	108 Å²	108	50.7 Å²	50.7	41%	0.408	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-104	136.8	-177.1	-68.6	-177.3	174.1	-124	-2.1	111.7	W36 N58 N64 Y65 T66 Q93	W36-R60 VanDerWaalsContact CZ2-O 3.28Å; W36-R60 WeakPolarHBondContact CZ2-O 2.83Å; N58-R60 PolarHBondContact O-N 2.85Å; R60-N64 WeakPolarHBondContact CD-OD1 3.16Å; R60-N64 PolarHBondContact NH1-OD1 3.13Å; R60-Y65 CarbonylContact C-O 3.4Å; R60-Y65 VanDerWaalsContact CA-O 3.27Å; R60-Y65 WeakPolarHBondContact CA-O 3.34Å; R60-T66 HydrophobicContact CG-CG2 3.97Å; R60-Q93 PolarHBondContact NH1-O 3.41Å; R60-Q93 PolarHBondContact NH2-O 3.33Å
61	D	92.4	Very high	94.7	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.123	27%	0.271	C	S	.	.			trans	-77.7	178.4	173.3	89.2	-28	0	0	0	112.4	W36 A63 N64 Y65 Y70	W36-D61 HydrophobicContact CD2-CB 3.7Å; W36-D61 HydrophobicContact CE3-CB 3.49Å; W36-D61 VanDerWaalsContact CE3-CB 3.49Å; W36-D61 HydrophobicContact CH2-CB 3.46Å; W36-D61 VanDerWaalsContact CH2-CB 3.46Å; W36-D61 HydrophobicContact CZ2-CB 3.61Å; W36-D61 HydrophobicContact CZ3-CB 3.32Å; D61-A63 PolarHBondContact O-N 3.07Å; D61-A63 VanDerWaalsContact O-N 3.13Å; D61-A63 VanDerWaalsContact OD1-CA 3.27Å; D61-A63 WeakPolarHBondContact OD1-CA 3.27Å; D61-A63 WeakPolarHBondContact OD1-CB 3.44Å; D61-A63 PolarHBondContact OD1-N 2.96Å; D61-N64 WeakPolarHBondContact O-CA 3.4Å; D61-N64 PolarHBondContact O-N 2.86Å; D61-N64 PolarHBondContact OD1-N 3.41Å; D61-Y65 PolarHBondContact N-O 3.03Å; D61-Y65 WeakPolarHBondContact OD1-CB 3.31Å; D61-Y65 PolarHBondContact OD1-N 3.31Å; D61-Y70 PolarHBondContact OD2-OH 3.42Å
62	S	90.6	Very high	94.9	Very high	118 Å²	118	49 Å²	49	83%	0.825	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.7	177.9	54.1	0	0	0	0	113.4
63	A	90.3	Very high	95.1	Very high	44 Å²	44	46.8 Å²	46.8	36%	0.364	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	8.3	173.6	0	0	0	0	0	112.8	D61 Y65 P95	D61-A63 PolarHBondContact O-N 3.07Å; D61-A63 VanDerWaalsContact O-N 3.13Å; D61-A63 VanDerWaalsContact OD1-CA 3.27Å; D61-A63 WeakPolarHBondContact OD1-CA 3.27Å; D61-A63 WeakPolarHBondContact OD1-CB 3.44Å; D61-A63 PolarHBondContact OD1-N 2.96Å; A63-Y65 VanDerWaalsContact C-N 3.33Å; A63-Y65 HydrophobicContact CB-CD2 3.66Å; A63-Y65 HydrophobicContact CB-CE2 3.92Å; A63-Y65 VanDerWaalsContact O-CD2 3.24Å; A63-Y65 WeakPolarHBondContact O-CD2 3.37Å; A63-Y65 WeakPolarHBondContact O-CE2 3.47Å; A63-Y65 PolarHBondContact O-N 3.14Å; A63-P95 VanDerWaalsContact O-CD 3.3Å; A63-P95 WeakPolarHBondContact O-CD 3.35Å
64	N	93.8	Very high	95.3	Very high	67 Å²	67	42 Å²	42	36%	0.358	24%	0.237	S	C	.	.	S	Bend	trans	63.5	28.7	-177.3	-86.4	-66.2	0	0	0	114.9	R60 D61 P95	R60-N64 WeakPolarHBondContact CD-OD1 3.16Å; R60-N64 PolarHBondContact NH1-OD1 3.13Å; D61-N64 WeakPolarHBondContact O-CA 3.4Å; D61-N64 PolarHBondContact O-N 2.86Å; D61-N64 PolarHBondContact OD1-N 3.41Å; N64-P95 VanDerWaalsContact CB-CD 3.49Å; N64-P95 HydrophobicContact CB-CG 3.58Å
65	Y	95.8	Very high	95.7	Very high	49 Å²	49	39.9 Å²	39.9	19%	0.192	22%	0.215	C	C	.	.			trans	-91.1	148.7	171.3	-73.3	-112.1	0	0	0	110.5	R60 D61 A63 H69 T94 R103	R60-Y65 CarbonylContact C-O 3.4Å; R60-Y65 VanDerWaalsContact CA-O 3.27Å; R60-Y65 WeakPolarHBondContact CA-O 3.34Å; D61-Y65 PolarHBondContact N-O 3.03Å; D61-Y65 WeakPolarHBondContact OD1-CB 3.31Å; D61-Y65 PolarHBondContact OD1-N 3.31Å; A63-Y65 VanDerWaalsContact C-N 3.33Å; A63-Y65 HydrophobicContact CB-CD2 3.66Å; A63-Y65 HydrophobicContact CB-CE2 3.92Å; A63-Y65 VanDerWaalsContact O-CD2 3.24Å; A63-Y65 WeakPolarHBondContact O-CD2 3.37Å; A63-Y65 WeakPolarHBondContact O-CE2 3.47Å; A63-Y65 PolarHBondContact O-N 3.14Å; Y65-H69 HydrophobicContact CD1-CB 3.76Å; Y65-T94 HydrophobicContact CD1-CG2 3.99Å; Y65-T94 HydrophobicContact CD2-CG2 3.97Å; Y65-T94 HydrophobicContact CE1-CG2 3.81Å; Y65-T94 HydrophobicContact CE2-CG2 3.77Å; Y65-T94 HydrophobicContact CG-CG2 4.05Å; Y65-R103 PolarHBondContact OH-NH2 2.83Å
66	T	97.5	Very high	95.9	Very high	2 Å²	2	42 Å²	42	1%	0.012	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-107.9	165.7	173.8	64.6	0	0	0	0	110.3	R60 L68 H69 Y70 P92	R60-T66 HydrophobicContact CG-CG2 3.97Å; T66-L68 PolarHBondContact O-N 3.15Å; T66-L68 VanDerWaalsContact O-N 3.17Å; T66-H69 PolarHBondContact N-ND1 3.33Å; T66-H69 WeakPolarHBondContact O-CB 3.39Å; T66-H69 PolarHBondContact O-N 3.01Å; T66-H69 PolarHBondContact OG1-ND1 3.03Å; T66-Y70 VanDerWaalsContact O-CD2 3.27Å; T66-Y70 WeakPolarHBondContact O-CD2 3.33Å; T66-Y70 PolarHBondContact O-N 3.44Å; T66-P92 HydrophobicContact CG2-CB 4.01Å; T66-P92 HydrophobicContact CG2-CG 4.28Å
67	A	97.5	Very high	96.2	Very high	1 Å²	1	42 Å²	42	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-52.4	-38.2	173.3	0	0	0	0	0	112.3	I35 A39 H69 Y70 A71 L83	I35-A67 HydrophobicContact CD1-CB 4.42Å; I35-A67 HydrophobicContact CG1-CB 4.08Å; I35-A67 HydrophobicContact CG2-CB 4.42Å; A39-A67 HydrophobicContact CB-CB 3.83Å; A39-A67 WeakPolarHBondContact CB-O 3.43Å; A67-H69 VanDerWaalsContact C-N 3.32Å; A67-H69 PolarHBondContact O-N 3.28Å; A67-Y70 PolarHBondContact O-N 3.15Å; A67-A71 PolarHBondContact O-N 2.86Å; A67-L83 HydrophobicContact CB-CD1 3.81Å; A67-L83 HydrophobicContact CB-CD2 4.09Å
68	L	98.5	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-34.1	178.4	-171.5	61.5	0	0	0	112.6	T66 S72 C80 L83 L84 C89 P100 L116	T66-L68 PolarHBondContact O-N 3.15Å; T66-L68 VanDerWaalsContact O-N 3.17Å; L68-S72 WeakPolarHBondContact O-CB 3.27Å; L68-S72 PolarHBondContact O-N 3.02Å; L68-S72 PolarHBondContact O-OG 3.48Å; L68-C80 HydrophobicContact CD1-CB 3.94Å; L68-L83 HydrophobicContact CB-CD1 4.35Å; L68-L83 HydrophobicContact CD1-CB 4.44Å; L68-L83 HydrophobicContact CD1-CD1 4.41Å; L68-L84 HydrophobicContact CD1-CG 4.25Å; L68-L84 HydrophobicContact CD2-CD2 3.76Å; L68-L84 HydrophobicContact CD2-CG 4.28Å; L68-C89 WeakPolarHBondContact CD2-O 3.32Å; L68-P100 HydrophobicContact CB-CG 4.26Å; L68-P100 HydrophobicContact CD2-CB 4.28Å; L68-P100 HydrophobicContact CD2-CG 3.92Å; L68-P100 HydrophobicContact CG-CB 3.96Å; L68-P100 HydrophobicContact CG-CG 3.85Å; L68-L116 HydrophobicContact CD1-CD2 4.22Å; L68-L116 HydrophobicContact CD2-CD2 4.1Å; L68-L116 HydrophobicContact CG-CD2 4.33Å
69	H	98.5	Very high	96.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-43.9	174.3	-72.5	93	0	0	0	111.9	Y65 T66 A67 S72 R73 P92 A98	Y65-H69 HydrophobicContact CD1-CB 3.76Å; T66-H69 PolarHBondContact N-ND1 3.33Å; T66-H69 WeakPolarHBondContact O-CB 3.39Å; T66-H69 PolarHBondContact O-N 3.01Å; T66-H69 PolarHBondContact OG1-ND1 3.03Å; A67-H69 VanDerWaalsContact C-N 3.32Å; A67-H69 PolarHBondContact O-N 3.28Å; H69-S72 PolarHBondContact O-N 3.24Å; H69-R73 WeakPolarHBondContact O-CB 3.3Å; H69-R73 PolarHBondContact O-N 3.44Å; H69-P92 PolarHBondContact CE1-O 3.43Å; H69-P92 VanDerWaalsContact CE1-O 3.24Å; H69-P92 PolarHBondContact NE2-O 2.88Å; H69-A98 PolarHBondContact NE2-O 2.94Å
70	Y	98.1	Very high	96.7	Very high	36 Å²	36	40.6 Å²	40.6	14%	0.141	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-51.3	-179.5	-68.3	-68.8	0	0	0	111.7	W36 M40 D61 T66 A67 S72 R73 S74	W36-Y70 HydrophobicContact CB-CD2 3.77Å; W36-Y70 HydrophobicContact CB-CE2 3.72Å; W36-Y70 HydrophobicContact CG-CD2 4.16Å; W36-Y70 AromaticContact CG-CE2 3.89Å; W36-Y70 HydrophobicContact CG-CE2 3.89Å; M40-Y70 HydrophobicContact CE-CD1 3.23Å; M40-Y70 HydrophobicContact CE-CE1 3.46Å; M40-Y70 VanDerWaalsContact CE-CE1 3.46Å; M40-Y70 HydrophobicContact CE-CG 4.22Å; D61-Y70 PolarHBondContact OD2-OH 3.42Å; T66-Y70 VanDerWaalsContact O-CD2 3.27Å; T66-Y70 WeakPolarHBondContact O-CD2 3.33Å; T66-Y70 PolarHBondContact O-N 3.44Å; A67-Y70 PolarHBondContact O-N 3.15Å; Y70-S72 PolarHBondContact O-N 3.42Å; Y70-R73 PolarHBondContact O-N 2.91Å; Y70-S74 PolarHBondContact O-N 3.21Å; Y70-S74 PolarHBondContact O-OG 3.19Å
71	A	98.5	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-37.3	176.6	0	0	0	0	0	112	A39 A67 S74 G75 H76 V79 C80 L83	A39-A71 HydrophobicContact CB-CB 4.17Å; A39-A71 VanDerWaalsContact O-CA 3.29Å; A39-A71 WeakPolarHBondContact O-CA 3.43Å; A67-A71 PolarHBondContact O-N 2.86Å; A71-S74 PolarHBondContact O-N 3.43Å; A71-G75 PolarHBondContact O-N 2.93Å; A71-H76 HydrophobicContact CB-CB 4.41Å; A71-H76 PolarHBondContact O-N 2.91Å; A71-V79 HydrophobicContact CB-CB 4.14Å; A71-V79 HydrophobicContact CB-CG1 3.77Å; A71-C80 VanDerWaalsContact C-SG 3.51Å; A71-C80 VanDerWaalsContact CB-SG 3.5Å; A71-L83 HydrophobicContact CB-CD1 4.41Å
72	S	98.5	Very high	97.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.4	-38.5	-180	-61.4	0	0	0	0	112.9	L68 H69 Y70 P100 S104	L68-S72 WeakPolarHBondContact O-CB 3.27Å; L68-S72 PolarHBondContact O-N 3.02Å; L68-S72 PolarHBondContact O-OG 3.48Å; H69-S72 PolarHBondContact O-N 3.24Å; Y70-S72 PolarHBondContact O-N 3.42Å; S72-P100 WeakPolarHBondContact OG-CB 3.49Å; S72-S104 WeakPolarHBondContact O-CA 3.34Å; S72-S104 WeakPolarHBondContact O-CB 3.44Å
73	R	98.1	Very high	97.6	Very high	135 Å²	135	35.6 Å²	35.6	51%	0.509	18%	0.182	S	C	.	.	H	α-helix	trans	-64	-44.3	174.1	-174.6	-175.3	175.1	-170.4	-4	111.3	H69 Y70 G75 R103	H69-R73 WeakPolarHBondContact O-CB 3.3Å; H69-R73 PolarHBondContact O-N 3.44Å; Y70-R73 PolarHBondContact O-N 2.91Å; R73-G75 VanDerWaalsContact C-N 3.3Å; R73-G75 PolarHBondContact O-N 2.98Å; R73-R103 HydrophobicContact CB-CB 4.12Å
74	S	97.6	Very high	98	Very high	43 Å²	43	34.3 Å²	34.3	30%	0.301	17%	0.169	S	C	.	.	H	α-helix	trans	-79.4	-7.5	-177.7	-59.9	0	0	0	0	114.1	M40 Y70 A71 H76	M40-S74 WeakPolarHBondContact O-CB 3.32Å; M40-S74 PolarHBondContact O-OG 3.29Å; Y70-S74 PolarHBondContact O-N 3.21Å; Y70-S74 PolarHBondContact O-OG 3.19Å; A71-S74 PolarHBondContact O-N 3.43Å; S74-H76 WeakPolarHBondContact CB-CD2 2.91Å; S74-H76 VanDerWaalsContact CB-NE2 3.35Å; S74-H76 WeakPolarHBondContact CB-NE2 3.06Å
75	G	98	Very high	98.2	Very high	21 Å²	21	36.9 Å²	36.9	22%	0.216	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	13.9	178.4	0	0	0	0	0	115	A71 R73 K77 Q109	A71-G75 PolarHBondContact O-N 2.93Å; R73-G75 VanDerWaalsContact C-N 3.3Å; R73-G75 PolarHBondContact O-N 2.98Å; G75-K77 VanDerWaalsContact C-N 3.32Å; G75-K77 PolarHBondContact O-N 2.99Å; G75-Q109 VanDerWaalsContact CA-CD 3.4Å; G75-Q109 VanDerWaalsContact CA-OE1 3.32Å
76	H	98.5	Very high	98.2	Very high	54 Å²	54	36.7 Å²	36.7	25%	0.25	18%	0.184	C	C	.	.			trans	-79.8	77.4	-176.3	-61	-48	0	0	0	111.9	A39 M40 G42 A71 S74 S78 V79 C80	A39-H76 PolarHBondContact O-CD2 3.49Å; M40-H76 PolarHBondContact O-CD2 3.43Å; M40-H76 VanDerWaalsContact O-CD2 3.3Å; M40-H76 PolarHBondContact O-NE2 3.25Å; G42-H76 WeakPolarHBondContact CA-CD2 3.45Å; G42-H76 PolarHBondContact N-CD2 3.08Å; G42-H76 PolarHBondContact N-NE2 3.4Å; A71-H76 HydrophobicContact CB-CB 4.41Å; A71-H76 PolarHBondContact O-N 2.91Å; S74-H76 WeakPolarHBondContact CB-CD2 2.91Å; S74-H76 VanDerWaalsContact CB-NE2 3.35Å; S74-H76 WeakPolarHBondContact CB-NE2 3.06Å; H76-S78 VanDerWaalsContact C-N 3.31Å; H76-S78 PolarHBondContact O-N 3.25Å; H76-V79 HydrophobicContact CB-CB 4.08Å; H76-V79 HydrophobicContact CB-CG2 4.18Å; H76-V79 PolarHBondContact O-N 3.35Å; H76-V79 VanDerWaalsContact O-N 3.16Å; H76-C80 PolarHBondContact O-N 2.75Å; H76-C80 PolarHBondContact O-SG 3.28Å
77	K	98.5	Very high	98.2	Very high	84 Å²	84	38.8 Å²	38.8	37%	0.365	21%	0.207	S	C	.	.	H	α-helix	trans	-51.6	-44.4	-178.4	-170.4	-170.4	-162.6	163.6	0	113.5	G75 C80 K81 D111 V112 L115	G75-K77 VanDerWaalsContact C-N 3.32Å; G75-K77 PolarHBondContact O-N 2.99Å; K77-C80 PolarHBondContact O-N 3.01Å; K77-K81 WeakPolarHBondContact O-CB 3.34Å; K77-K81 PolarHBondContact O-N 3.22Å; K77-D111 HydrophobicContact CD-CB 3.95Å; K77-D111 HydrophobicContact CG-CB 4.5Å; K77-D111 IonicContact NZ-OD1 3.99Å; K77-D111 PolarHBondContact NZ-OD1 3.39Å; K77-V112 HydrophobicContact CB-CG2 4.31Å; K77-L115 HydrophobicContact CG-CD2 4.01Å; K77-L115 WeakPolarHBondContact O-CD2 3.48Å
78	S	98.6	Very high	98.1	Very high	67 Å²	67	39.3 Å²	39.3	47%	0.469	21%	0.211	S	C	.	.	H	α-helix	trans	-63.5	-41.8	-178.9	52.9	0	0	0	0	112.1	H76 F82	H76-S78 VanDerWaalsContact C-N 3.31Å; H76-S78 PolarHBondContact O-N 3.25Å; S78-F82 PolarHBondContact O-N 3.26Å; S78-F82 VanDerWaalsContact O-N 3.08Å
79	V	98.7	Very high	98.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.6	-46.3	174.9	176.3	0	0	0	0	110.9	A39 L44 V47 A71 H76 K81 F82 L83	A39-V79 HydrophobicContact CB-CG1 4.16Å; L44-V79 HydrophobicContact CB-CG2 4.11Å; L44-V79 HydrophobicContact CD1-CG2 4.36Å; V47-V79 HydrophobicContact CG1-CG1 4.49Å; V47-V79 HydrophobicContact CG2-CG1 4.01Å; A71-V79 HydrophobicContact CB-CB 4.14Å; A71-V79 HydrophobicContact CB-CG1 3.77Å; H76-V79 HydrophobicContact CB-CB 4.08Å; H76-V79 HydrophobicContact CB-CG2 4.18Å; H76-V79 PolarHBondContact O-N 3.35Å; H76-V79 VanDerWaalsContact O-N 3.16Å; V79-K81 VanDerWaalsContact C-N 3.28Å; V79-K81 PolarHBondContact O-N 3.43Å; V79-F82 PolarHBondContact O-N 3.23Å; V79-L83 HydrophobicContact CG1-CD1 3.82Å; V79-L83 HydrophobicContact CG1-CG 4.19Å; V79-L83 WeakPolarHBondContact O-CB 3.47Å; V79-L83 WeakPolarHBondContact O-CG 3.35Å; V79-L83 PolarHBondContact O-N 3.38Å
80	C	98.7	Very high	98	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.6	-46.9	176.9	-66	0	0	0	0	111.2	L68 A71 H76 K77 F82 L83 L84 L115	L68-C80 HydrophobicContact CD1-CB 3.94Å; A71-C80 VanDerWaalsContact C-SG 3.51Å; A71-C80 VanDerWaalsContact CB-SG 3.5Å; H76-C80 PolarHBondContact O-N 2.75Å; H76-C80 PolarHBondContact O-SG 3.28Å; K77-C80 PolarHBondContact O-N 3.01Å; C80-F82 PolarHBondContact O-N 3.25Å; C80-L83 PolarHBondContact O-N 2.9Å; C80-L84 WeakPolarHBondContact O-CD1 3.46Å; C80-L84 VanDerWaalsContact O-CG 3.27Å; C80-L84 WeakPolarHBondContact O-CG 3.43Å; C80-L84 PolarHBondContact O-N 3.18Å; C80-L115 HydrophobicContact CB-CD2 3.67Å
81	K	98.7	Very high	98	Very high	96 Å²	96	44 Å²	44	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-59.6	-49.6	179.4	-179.4	175.3	174.6	178.5	0	110.7	K77 V79 L83 L84 E85 L115	K77-K81 WeakPolarHBondContact O-CB 3.34Å; K77-K81 PolarHBondContact O-N 3.22Å; V79-K81 VanDerWaalsContact C-N 3.28Å; V79-K81 PolarHBondContact O-N 3.43Å; K81-L83 PolarHBondContact O-N 2.92Å; K81-L84 PolarHBondContact O-N 3.22Å; K81-E85 WeakPolarHBondContact CE-OE1 3.42Å; K81-E85 HydrophobicContact CG-CG 4.45Å; K81-E85 IonicContact NZ-OE1 3.15Å; K81-E85 WeakPolarHBondContact O-CB 3.29Å; K81-E85 WeakPolarHBondContact O-CG 3.42Å; K81-E85 PolarHBondContact O-N 2.76Å; K81-L115 HydrophobicContact CB-CD1 4.15Å; K81-L115 HydrophobicContact CB-CD2 3.82Å; K81-L115 HydrophobicContact CG-CD1 4.29Å
82	F	98.6	Very high	97.9	Very high	47 Å²	47	44.4 Å²	44.4	21%	0.206	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-40.2	-179.1	-175.7	-101.9	0	0	0	112.7	L44 V47 K48 L51 S78 V79 C80 E85 S86	L44-F82 HydrophobicContact CD1-CB 3.64Å; L44-F82 HydrophobicContact CD1-CD1 4.19Å; L44-F82 HydrophobicContact CD1-CG 3.91Å; V47-F82 HydrophobicContact CG1-CD1 4.06Å; V47-F82 HydrophobicContact CG1-CE1 4.45Å; K48-F82 HydrophobicContact CB-CE1 4.12Å; K48-F82 HydrophobicContact CB-CZ 4.23Å; K48-F82 HydrophobicContact CG-CD1 3.91Å; K48-F82 HydrophobicContact CG-CD2 4.27Å; K48-F82 HydrophobicContact CG-CE1 3.47Å; K48-F82 VanDerWaalsContact CG-CE1 3.47Å; K48-F82 HydrophobicContact CG-CE2 3.88Å; K48-F82 HydrophobicContact CG-CG 4.29Å; K48-F82 HydrophobicContact CG-CZ 3.48Å; K48-F82 VanDerWaalsContact CG-CZ 3.48Å; L51-F82 HydrophobicContact CD1-CD1 4.15Å; L51-F82 HydrophobicContact CD1-CE1 3.66Å; S78-F82 PolarHBondContact O-N 3.26Å; S78-F82 VanDerWaalsContact O-N 3.08Å; V79-F82 PolarHBondContact O-N 3.23Å; C80-F82 PolarHBondContact O-N 3.25Å; F82-E85 PolarHBondContact O-N 3.06Å; F82-S86 WeakPolarHBondContact CE1-OG 3.33Å; F82-S86 WeakPolarHBondContact CZ-OG 3.47Å; F82-S86 VanDerWaalsContact O-CB 3.25Å; F82-S86 WeakPolarHBondContact O-CB 3.3Å; F82-S86 PolarHBondContact O-N 3.39Å; F82-S86 PolarHBondContact O-OG 3.17Å
83	L	98.4	Very high	97.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-46.5	175.7	-73.6	171.5	0	0	0	111.2	I35 V47 L51 A67 L68 A71 V79 C80 K81 S86 G87 A88	I35-L83 HydrophobicContact CD1-CD2 4.41Å; V47-L83 HydrophobicContact CG1-CD2 3.73Å; V47-L83 HydrophobicContact CG1-CG 4.23Å; L51-L83 HydrophobicContact CD1-CD2 4.06Å; A67-L83 HydrophobicContact CB-CD1 3.81Å; A67-L83 HydrophobicContact CB-CD2 4.09Å; L68-L83 HydrophobicContact CB-CD1 4.35Å; L68-L83 HydrophobicContact CD1-CB 4.44Å; L68-L83 HydrophobicContact CD1-CD1 4.41Å; A71-L83 HydrophobicContact CB-CD1 4.41Å; V79-L83 HydrophobicContact CG1-CD1 3.82Å; V79-L83 HydrophobicContact CG1-CG 4.19Å; V79-L83 WeakPolarHBondContact O-CB 3.47Å; V79-L83 WeakPolarHBondContact O-CG 3.35Å; V79-L83 PolarHBondContact O-N 3.38Å; C80-L83 PolarHBondContact O-N 2.9Å; K81-L83 PolarHBondContact O-N 2.92Å; L83-S86 CarbonylContact O-C 3.57Å; L83-S86 PolarHBondContact O-N 3.03Å; L83-S86 VanDerWaalsContact O-N 3.17Å; L83-G87 PolarHBondContact O-N 3.29Å; L83-A88 HydrophobicContact CB-CB 4.01Å; L83-A88 WeakPolarHBondContact O-CB 3.4Å; L83-A88 PolarHBondContact O-N 3.1Å
84	L	98.3	Very high	97.7	Very high	18 Å²	18	42.1 Å²	42.1	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-45.1	178	-70.4	162.2	0	0	0	112	L68 C80 K81 S86 G87 A90 L115 L116 H119	L68-L84 HydrophobicContact CD1-CG 4.25Å; L68-L84 HydrophobicContact CD2-CD2 3.76Å; L68-L84 HydrophobicContact CD2-CG 4.28Å; C80-L84 WeakPolarHBondContact O-CD1 3.46Å; C80-L84 VanDerWaalsContact O-CG 3.27Å; C80-L84 WeakPolarHBondContact O-CG 3.43Å; C80-L84 PolarHBondContact O-N 3.18Å; K81-L84 PolarHBondContact O-N 3.22Å; L84-S86 PolarHBondContact O-N 2.93Å; L84-G87 PolarHBondContact O-N 3.04Å; L84-G87 VanDerWaalsContact O-N 3.1Å; L84-A90 HydrophobicContact CD2-CB 4Å; L84-L115 HydrophobicContact CD1-CD2 4.42Å; L84-L115 HydrophobicContact CD1-CG 4.31Å; L84-L116 HydrophobicContact CD1-CD2 4.24Å; L84-H119 HydrophobicContact CD1-CB 3.81Å; L84-H119 HydrophobicContact CD2-CB 4.15Å; L84-H119 HydrophobicContact CG-CB 4.39Å
85	E	97.9	Very high	97.5	Very high	120 Å²	120	44.9 Å²	44.9	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-63.7	-25.6	175.2	-71.9	173.7	167.2	0	0	112.4	K81 F82 G87	K81-E85 WeakPolarHBondContact CE-OE1 3.42Å; K81-E85 HydrophobicContact CG-CG 4.45Å; K81-E85 IonicContact NZ-OE1 3.15Å; K81-E85 WeakPolarHBondContact O-CB 3.29Å; K81-E85 WeakPolarHBondContact O-CG 3.42Å; K81-E85 PolarHBondContact O-N 2.76Å; F82-E85 PolarHBondContact O-N 3.06Å; E85-G87 VanDerWaalsContact C-N 3.31Å
86	S	97	Very high	97.3	Very high	45 Å²	45	45.8 Å²	45.8	32%	0.315	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	7.4	176.5	-56.4	0	0	0	0	113.6	F82 L83 L84	F82-S86 WeakPolarHBondContact CE1-OG 3.33Å; F82-S86 WeakPolarHBondContact CZ-OG 3.47Å; F82-S86 VanDerWaalsContact O-CB 3.25Å; F82-S86 WeakPolarHBondContact O-CB 3.3Å; F82-S86 PolarHBondContact O-N 3.39Å; F82-S86 PolarHBondContact O-OG 3.17Å; L83-S86 CarbonylContact O-C 3.57Å; L83-S86 PolarHBondContact O-N 3.03Å; L83-S86 VanDerWaalsContact O-N 3.17Å; L84-S86 PolarHBondContact O-N 2.93Å
87	G	96.1	Very high	97.2	Very high	47 Å²	47	43.8 Å²	43.8	49%	0.485	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	16.5	175.7	0	0	0	0	0	115.5	N58 L83 L84 E85 C89	N58-G87 PolarHBondContact ND2-O 3.36Å; N58-G87 VanDerWaalsContact ND2-O 3.12Å; L83-G87 PolarHBondContact O-N 3.29Å; L84-G87 PolarHBondContact O-N 3.04Å; L84-G87 VanDerWaalsContact O-N 3.1Å; E85-G87 VanDerWaalsContact C-N 3.31Å; G87-C89 PolarHBondContact O-N 3.48Å
88	A	97.4	Very high	97.2	Very high	11 Å²	11	40.1 Å²	40.1	9%	0.091	25%	0.248	C	C	.	.			trans	-62.8	134.8	166.2	0	0	0	0	0	110.3	P57 L83 A90	P57-A88 HydrophobicContact CB-CB 4.17Å; L83-A88 HydrophobicContact CB-CB 4.01Å; L83-A88 WeakPolarHBondContact O-CB 3.4Å; L83-A88 PolarHBondContact O-N 3.1Å; A88-A90 PolarHBondContact O-N 2.9Å
89	C	97.4	Very high	97.2	Very high	68 Å²	68	36.9 Å²	36.9	46%	0.459	23%	0.226	S	C	.	.			trans	-60.3	135.6	170.9	-68.8	0	0	0	0	109.5	N58 L68 G87 P92	N58-C89 WeakPolarHBondContact OD1-CB 3.27Å; N58-C89 PolarHBondContact OD1-N 3.4Å; N58-C89 PolarHBondContact OD1-SG 3.22Å; N58-C89 VanDerWaalsContact OD1-SG 3.39Å; L68-C89 WeakPolarHBondContact CD2-O 3.32Å; G87-C89 PolarHBondContact O-N 3.48Å; C89-P92 WeakPolarHBondContact O-CD 3.42Å
90	A	97.1	Very high	97.2	Very high	13 Å²	13	36.9 Å²	36.9	11%	0.107	23%	0.226	C	C	.	.	S	Bend	trans	-76.4	-24.9	175.3	0	0	0	0	0	113	L84 A88 P92 A121	L84-A90 HydrophobicContact CD2-CB 4Å; A88-A90 PolarHBondContact O-N 2.9Å; A90-P92 WeakPolarHBondContact O-CD 3.49Å; A90-A121 HydrophobicContact CB-CB 4.37Å
91	N	97.8	Very high	97.2	Very high	55 Å²	55	36.9 Å²	36.9	29%	0.294	23%	0.226	S	C	.	.	S	Bend	trans	-117.5	37.6	-174.4	-62.2	-55.2	0	0	0	115.6	Q93 G120 A121 D122 L125	N91-Q93 PolarHBondContact O-N 3.07Å; N91-G120 PolarHBondContact ND2-O 3.18Å; N91-A121 VanDerWaalsContact OD1-CA 3.26Å; N91-A121 WeakPolarHBondContact OD1-CA 3.47Å; N91-D122 PolarHBondContact OD1-N 2.97Å; N91-L125 HydrophobicContact CB-CD1 3.84Å
92	P	96.7	Very high	97.2	Very high	8 Å²	8	32.5 Å²	32.5	5%	0.052	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-66.6	134	175.6	29.3	-33.3	0	0	0	108.7	T66 H69 C89 A90 T99 P100	T66-P92 HydrophobicContact CG2-CB 4.01Å; T66-P92 HydrophobicContact CG2-CG 4.28Å; H69-P92 PolarHBondContact CE1-O 3.43Å; H69-P92 VanDerWaalsContact CE1-O 3.24Å; H69-P92 PolarHBondContact NE2-O 2.88Å; C89-P92 WeakPolarHBondContact O-CD 3.42Å; A90-P92 WeakPolarHBondContact O-CD 3.49Å; P92-T99 WeakPolarHBondContact O-CA 3.37Å; P92-P100 HydrophobicContact CG-CG 3.78Å; P92-P100 WeakPolarHBondContact O-CD 3.38Å
93	Q	96.4	Very high	97.2	Very high	80 Å²	80	33.4 Å²	33.4	37%	0.374	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-103.3	133.6	175.5	-67	-175.5	-78.2	0	0	111.1	R60 N91 G97 T99	R60-Q93 PolarHBondContact NH1-O 3.41Å; R60-Q93 PolarHBondContact NH2-O 3.33Å; N91-Q93 PolarHBondContact O-N 3.07Å; Q93-G97 PolarHBondContact NE2-O 3.36Å; Q93-T99 HydrophobicContact CG-CG2 3.88Å
94	T	95.7	Very high	97.2	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.049	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-68.2	170.7	163.9	62.5	0	0	0	0	110.6	Y65 G96 G97 A98	Y65-T94 HydrophobicContact CD1-CG2 3.99Å; Y65-T94 HydrophobicContact CD2-CG2 3.97Å; Y65-T94 HydrophobicContact CE1-CG2 3.81Å; Y65-T94 HydrophobicContact CE2-CG2 3.77Å; Y65-T94 HydrophobicContact CG-CG2 4.05Å; T94-G96 PolarHBondContact O-N 2.87Å; T94-G97 WeakPolarHBondContact O-CA 3.49Å; T94-G97 PolarHBondContact O-N 2.9Å; T94-A98 PolarHBondContact N-O 3.44Å; T94-A98 PolarHBondContact OG1-N 3.14Å; T94-A98 PolarHBondContact OG1-O 3.31Å
95	P	93.6	Very high	97.2	Very high	100 Å²	100	32.5 Å²	32.5	65%	0.649	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.9	178.1	-23.6	37.1	0	0	0	112.4	A63 N64 G97	A63-P95 VanDerWaalsContact O-CD 3.3Å; A63-P95 WeakPolarHBondContact O-CD 3.35Å; N64-P95 VanDerWaalsContact CB-CD 3.49Å; N64-P95 HydrophobicContact CB-CG 3.58Å; P95-G97 PolarHBondContact O-N 2.91Å
96	G	94.3	Very high	97.2	Very high	40 Å²	40	31.1 Å²	31.1	41%	0.412	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	21	171.7	0	0	0	0	0	113.6	T94 A98 D127 G128	T94-G96 PolarHBondContact O-N 2.87Å; G96-A98 PolarHBondContact O-N 2.92Å; G96-D127 CarbonylContact O-C 3.53Å; G96-G128 WeakPolarHBondContact O-CA 3.44Å; G96-G128 PolarHBondContact O-N 3.15Å
97	G	96.1	Very high	97.2	Very high	12 Å²	12	30.9 Å²	30.9	12%	0.124	19%	0.192	C	C	.	.			trans	70.6	-11.6	175	0	0	0	0	0	116.4	Q93 T94 P95	Q93-G97 PolarHBondContact NE2-O 3.36Å; T94-G97 WeakPolarHBondContact O-CA 3.49Å; T94-G97 PolarHBondContact O-N 2.9Å; P95-G97 PolarHBondContact O-N 2.91Å
98	A	97.6	Very high	97.3	Very high	7 Å²	7	29.8 Å²	29.8	6%	0.058	18%	0.181	C	C	.	.			trans	-65.2	137.4	-178.4	0	0	0	0	0	111.3	H69 T94 G96 H102 D127	H69-A98 PolarHBondContact NE2-O 2.94Å; T94-A98 PolarHBondContact N-O 3.44Å; T94-A98 PolarHBondContact OG1-N 3.14Å; T94-A98 PolarHBondContact OG1-O 3.31Å; G96-A98 PolarHBondContact O-N 2.92Å; A98-H102 HydrophobicContact CB-CB 4.21Å; A98-D127 HydrophobicContact CB-CB 4.31Å
99	T	98.5	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.			trans	-103.7	171.1	176.4	68.9	0	0	0	0	111	P92 Q93 L101 H102 R103 L125	P92-T99 WeakPolarHBondContact O-CA 3.37Å; Q93-T99 HydrophobicContact CG-CG2 3.88Å; T99-L101 PolarHBondContact O-N 3.28Å; T99-L101 PolarHBondContact OG1-N 3.11Å; T99-H102 PolarHBondContact N-ND1 3.03Å; T99-H102 VanDerWaalsContact N-ND1 3.17Å; T99-H102 WeakPolarHBondContact O-CB 3.46Å; T99-H102 PolarHBondContact O-N 2.93Å; T99-H102 VanDerWaalsContact O-N 3.09Å; T99-H102 PolarHBondContact OG1-N 3.46Å; T99-H102 PolarHBondContact OG1-ND1 2.82Å; T99-R103 PolarHBondContact O-N 3.46Å; T99-L125 HydrophobicContact CG2-CB 4.2Å; T99-L125 HydrophobicContact CG2-CD1 3.84Å
100	P	98.6	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.8	-35.4	171.3	-26	36	0	0	0	112.6	L68 S72 P92 H102 R103 S104 L116	L68-P100 HydrophobicContact CB-CG 4.26Å; L68-P100 HydrophobicContact CD2-CB 4.28Å; L68-P100 HydrophobicContact CD2-CG 3.92Å; L68-P100 HydrophobicContact CG-CB 3.96Å; L68-P100 HydrophobicContact CG-CG 3.85Å; S72-P100 WeakPolarHBondContact OG-CB 3.49Å; P92-P100 HydrophobicContact CG-CG 3.78Å; P92-P100 WeakPolarHBondContact O-CD 3.38Å; P100-H102 PolarHBondContact O-N 3.37Å; P100-R103 PolarHBondContact O-N 3.49Å; P100-R103 VanDerWaalsContact O-N 3.11Å; P100-S104 PolarHBondContact O-N 3.24Å; P100-S104 PolarHBondContact O-OG 3.37Å; P100-L116 HydrophobicContact CB-CD1 4.09Å; P100-L116 HydrophobicContact CB-CD2 4.23Å
101	L	98.6	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-36.5	177.3	-171.5	61.5	0	0	0	112.5	T99 R103 S104 A105 V113 L116 L117 A121 P123 P133	T99-L101 PolarHBondContact O-N 3.28Å; T99-L101 PolarHBondContact OG1-N 3.11Å; L101-R103 VanDerWaalsContact C-N 3.33Å; L101-S104 WeakPolarHBondContact CA-OG 3.1Å; L101-S104 PolarHBondContact O-OG 3.09Å; L101-S104 VanDerWaalsContact O-OG 3.13Å; L101-A105 WeakPolarHBondContact O-CB 3.49Å; L101-A105 PolarHBondContact O-N 3.36Å; L101-V113 HydrophobicContact CD1-CB 4.31Å; L101-V113 HydrophobicContact CD1-CG1 3.89Å; L101-V113 HydrophobicContact CD1-CG2 4.33Å; L101-L116 HydrophobicContact CB-CD1 4.26Å; L101-L116 HydrophobicContact CD1-CB 4.13Å; L101-L116 HydrophobicContact CD1-CD1 4.19Å; L101-L117 HydrophobicContact CD1-CD2 4.46Å; L101-L117 HydrophobicContact CD1-CG 4.31Å; L101-L117 HydrophobicContact CD2-CD2 3.89Å; L101-A121 HydrophobicContact CB-CB 4.41Å; L101-A121 HydrophobicContact CD2-CB 4.13Å; L101-P123 HydrophobicContact CD2-CB 3.95Å; L101-P133 HydrophobicContact CB-CG 4.31Å; L101-P133 HydrophobicContact CD2-CB 4.43Å; L101-P133 HydrophobicContact CD2-CG 3.96Å; L101-P133 HydrophobicContact CG-CB 4.02Å; L101-P133 HydrophobicContact CG-CG 3.86Å
102	H	98.7	Very high	97.6	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-41.5	172	-69.5	80.1	0	0	0	111.3	A98 T99 P100 A105 Y106 L125 D127 S131	A98-H102 HydrophobicContact CB-CB 4.21Å; T99-H102 PolarHBondContact N-ND1 3.03Å; T99-H102 VanDerWaalsContact N-ND1 3.17Å; T99-H102 WeakPolarHBondContact O-CB 3.46Å; T99-H102 PolarHBondContact O-N 2.93Å; T99-H102 VanDerWaalsContact O-N 3.09Å; T99-H102 PolarHBondContact OG1-N 3.46Å; T99-H102 PolarHBondContact OG1-ND1 2.82Å; P100-H102 PolarHBondContact O-N 3.37Å; H102-A105 PolarHBondContact O-N 3Å; H102-Y106 VanDerWaalsContact O-CB 3.28Å; H102-Y106 WeakPolarHBondContact O-CB 3.28Å; H102-Y106 PolarHBondContact O-N 3.24Å; H102-L125 PolarHBondContact CE1-O 2.84Å; H102-L125 PolarHBondContact NE2-O 2.74Å; H102-D127 PolarHBondContact NE2-N 2.96Å; H102-S131 PolarHBondContact NE2-O 2.97Å
103	R	98.3	Very high	97.7	Very high	65 Å²	65	32.8 Å²	32.8	25%	0.245	19%	0.187	C	C	.	.	H	α-helix	trans	-69.2	-45.2	-178.4	-66.7	-62.7	179.7	-163.9	-2.8	112.2	Y65 R73 T99 P100 L101 A105 C107	Y65-R103 PolarHBondContact OH-NH2 2.83Å; R73-R103 HydrophobicContact CB-CB 4.12Å; T99-R103 PolarHBondContact O-N 3.46Å; P100-R103 PolarHBondContact O-N 3.49Å; P100-R103 VanDerWaalsContact O-N 3.11Å; L101-R103 VanDerWaalsContact C-N 3.33Å; R103-A105 VanDerWaalsContact C-N 3.32Å; R103-C107 WeakPolarHBondContact O-CB 3.35Å; R103-C107 PolarHBondContact O-N 3.41Å; R103-C107 VanDerWaalsContact O-N 3.11Å
104	S	98.6	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-37	175.2	58.5	0	0	0	0	111.8	S72 P100 L101 C107 G108 Q109 V113	S72-S104 WeakPolarHBondContact O-CA 3.34Å; S72-S104 WeakPolarHBondContact O-CB 3.44Å; P100-S104 PolarHBondContact O-N 3.24Å; P100-S104 PolarHBondContact O-OG 3.37Å; L101-S104 WeakPolarHBondContact CA-OG 3.1Å; L101-S104 PolarHBondContact O-OG 3.09Å; L101-S104 VanDerWaalsContact O-OG 3.13Å; S104-C107 PolarHBondContact O-N 3.08Å; S104-G108 PolarHBondContact O-N 3.35Å; S104-G108 VanDerWaalsContact O-N 3.07Å; S104-Q109 PolarHBondContact O-N 3.49Å; S104-V113 WeakPolarHBondContact OG-CG2 3.27Å
105	A	98.6	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.9	-43.3	177.8	0	0	0	0	0	112.5	L101 H102 R103 C107 G108 P133 A137 H142 V145 L149	L101-A105 WeakPolarHBondContact O-CB 3.49Å; L101-A105 PolarHBondContact O-N 3.36Å; H102-A105 PolarHBondContact O-N 3Å; R103-A105 VanDerWaalsContact C-N 3.32Å; A105-C107 VanDerWaalsContact C-N 3.28Å; A105-C107 PolarHBondContact O-N 2.89Å; A105-G108 PolarHBondContact O-N 3.36Å; A105-P133 HydrophobicContact CB-CB 3.91Å; A105-P133 WeakPolarHBondContact CB-O 3.41Å; A105-A137 HydrophobicContact CB-CB 4.27Å; A105-H142 PolarHBondContact O-CD2 3.04Å; A105-H142 VanDerWaalsContact O-CD2 3.29Å; A105-V145 HydrophobicContact CB-CG1 4.05Å; A105-L149 HydrophobicContact CB-CD1 4.39Å
106	Y	98.3	Very high	98.1	Very high	90 Å²	90	29.6 Å²	29.6	35%	0.353	16%	0.163	S	C	.	.	H	α-helix	trans	-62.6	-33.8	174.9	-177.9	-95.6	0	0	0	112.8	H102 K136 Q140 H142	H102-Y106 VanDerWaalsContact O-CB 3.28Å; H102-Y106 WeakPolarHBondContact O-CB 3.28Å; H102-Y106 PolarHBondContact O-N 3.24Å; Y106-K136 HydrophobicContact CD2-CB 4.25Å; Y106-K136 HydrophobicContact CD2-CD 4.28Å; Y106-Q140 HydrophobicContact CD2-CG 3.59Å; Y106-Q140 HydrophobicContact CE2-CG 3.5Å; Y106-Q140 VanDerWaalsContact CE2-CG 3.5Å; Y106-Q140 VanDerWaalsContact CE2-NE2 3.29Å; Y106-Q140 HydrophobicContact CG-CG 4.21Å; Y106-Q140 WeakPolarHBondContact O-CG 3.27Å; Y106-H142 PolarHBondContact O-CD2 2.87Å; Y106-H142 PolarHBondContact O-NE2 2.74Å; Y106-H142 VanDerWaalsContact O-NE2 3.09Å
107	C	98.1	Very high	98.3	Very high	40 Å²	40	29.1 Å²	29.1	27%	0.27	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.5	-179.9	-67.1	0	0	0	0	113.9	R103 S104 A105 Q109	R103-C107 WeakPolarHBondContact O-CB 3.35Å; R103-C107 PolarHBondContact O-N 3.41Å; R103-C107 VanDerWaalsContact O-N 3.11Å; S104-C107 PolarHBondContact O-N 3.08Å; A105-C107 VanDerWaalsContact C-N 3.28Å; A105-C107 PolarHBondContact O-N 2.89Å; C107-Q109 VanDerWaalsContact C-N 3.3Å; C107-Q109 HydrophobicContact CB-CG 3.92Å; C107-Q109 PolarHBondContact O-N 2.96Å
108	G	98	Very high	98.4	Very high	24 Å²	24	36.1 Å²	36.1	25%	0.247	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	20.4	176.3	0	0	0	0	0	115	S104 A105 L110 H142	S104-G108 PolarHBondContact O-N 3.35Å; S104-G108 VanDerWaalsContact O-N 3.07Å; A105-G108 PolarHBondContact O-N 3.36Å; G108-L110 VanDerWaalsContact C-N 3.29Å; G108-L110 PolarHBondContact O-N 3.4Å; G108-H142 WeakPolarHBondContact CA-CD2 3.43Å; G108-H142 VanDerWaalsContact CA-CG 3.4Å; G108-H142 PolarHBondContact N-CD2 3.13Å; G108-H142 PolarHBondContact N-NE2 2.91Å; G108-H142 VanDerWaalsContact N-NE2 3.18Å
109	Q	98.5	Very high	98.4	Very high	61 Å²	61	38.9 Å²	38.9	29%	0.285	19%	0.191	S	C	.	.			trans	-80.3	71.6	-173.5	-55	-62.5	-12.5	0	0	111.3	G75 S104 C107 D111 V112 V113	G75-Q109 VanDerWaalsContact CA-CD 3.4Å; G75-Q109 VanDerWaalsContact CA-OE1 3.32Å; S104-Q109 PolarHBondContact O-N 3.49Å; C107-Q109 VanDerWaalsContact C-N 3.3Å; C107-Q109 HydrophobicContact CB-CG 3.92Å; C107-Q109 PolarHBondContact O-N 2.96Å; Q109-D111 VanDerWaalsContact C-N 3.32Å; Q109-D111 PolarHBondContact O-N 2.93Å; Q109-V112 HydrophobicContact CB-CB 3.97Å; Q109-V112 HydrophobicContact CB-CG2 4.17Å; Q109-V112 WeakPolarHBondContact O-CB 3.41Å; Q109-V112 PolarHBondContact O-N 2.88Å; Q109-V113 WeakPolarHBondContact O-CG2 3.25Å; Q109-V113 PolarHBondContact O-N 3.31Å
110	L	98.4	Very high	98.3	Very high	67 Å²	67	41.1 Å²	41.1	35%	0.351	22%	0.215	S	C	.	.	H	α-helix	trans	-50.1	-48.3	-173.1	-179.4	65.8	0	0	0	113.3	G108 V112 V113 Q114 D144 V145 L148	G108-L110 VanDerWaalsContact C-N 3.29Å; G108-L110 PolarHBondContact O-N 3.4Å; L110-V112 VanDerWaalsContact C-N 3.28Å; L110-V112 PolarHBondContact O-N 3.35Å; L110-V113 PolarHBondContact O-N 3.07Å; L110-Q114 PolarHBondContact O-N 3.18Å; L110-D144 HydrophobicContact CD1-CB 4.12Å; L110-D144 HydrophobicContact CD2-CB 3.95Å; L110-V145 HydrophobicContact CB-CG2 4.28Å; L110-V145 HydrophobicContact CD1-CG2 4.23Å; L110-L148 HydrophobicContact CD1-CB 4.08Å; L110-L148 HydrophobicContact CD1-CD2 3.68Å
111	D	98.4	Very high	98.3	Very high	89 Å²	89	41.4 Å²	41.4	48%	0.476	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-36.1	179.7	-93.6	-49.6	0	0	0	113.6	K77 Q109 L115	K77-D111 HydrophobicContact CD-CB 3.95Å; K77-D111 HydrophobicContact CG-CB 4.5Å; K77-D111 IonicContact NZ-OD1 3.99Å; K77-D111 PolarHBondContact NZ-OD1 3.39Å; Q109-D111 VanDerWaalsContact C-N 3.32Å; Q109-D111 PolarHBondContact O-N 2.93Å; D111-L115 WeakPolarHBondContact O-CB 3.13Å; D111-L115 PolarHBondContact O-N 3.19Å
112	V	98.8	Very high	98.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-76.4	-41.9	177	173	0	0	0	0	110.4	K77 Q109 L110 Q114 L115 L116	K77-V112 HydrophobicContact CB-CG2 4.31Å; Q109-V112 HydrophobicContact CB-CB 3.97Å; Q109-V112 HydrophobicContact CB-CG2 4.17Å; Q109-V112 WeakPolarHBondContact O-CB 3.41Å; Q109-V112 PolarHBondContact O-N 2.88Å; L110-V112 VanDerWaalsContact C-N 3.28Å; L110-V112 PolarHBondContact O-N 3.35Å; V112-Q114 VanDerWaalsContact C-N 3.31Å; V112-Q114 PolarHBondContact O-N 2.88Å; V112-L115 PolarHBondContact O-N 3.41Å; V112-L116 HydrophobicContact CG1-CD1 3.8Å; V112-L116 HydrophobicContact CG1-CG 4.13Å; V112-L116 WeakPolarHBondContact O-CB 3.22Å; V112-L116 VanDerWaalsContact O-CG 3.32Å; V112-L116 WeakPolarHBondContact O-CG 3.47Å; V112-L116 PolarHBondContact O-N 3.09Å
113	V	98.8	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-56.1	-49	175.1	171.2	0	0	0	0	109.8	L101 S104 Q109 L110 L115 L116 L117 V145 L148 L149	L101-V113 HydrophobicContact CD1-CB 4.31Å; L101-V113 HydrophobicContact CD1-CG1 3.89Å; L101-V113 HydrophobicContact CD1-CG2 4.33Å; S104-V113 WeakPolarHBondContact OG-CG2 3.27Å; Q109-V113 WeakPolarHBondContact O-CG2 3.25Å; Q109-V113 PolarHBondContact O-N 3.31Å; L110-V113 PolarHBondContact O-N 3.07Å; V113-L115 VanDerWaalsContact C-N 3.34Å; V113-L115 PolarHBondContact O-N 3.42Å; V113-L116 PolarHBondContact O-N 3.43Å; V113-L117 HydrophobicContact CG1-CD1 3.88Å; V113-L117 VanDerWaalsContact O-CG 3.27Å; V113-L117 WeakPolarHBondContact O-CG 3.43Å; V113-L117 PolarHBondContact O-N 3.48Å; V113-V145 HydrophobicContact CG1-CG1 4.34Å; V113-V145 HydrophobicContact CG2-CG1 4.01Å; V113-V145 HydrophobicContact CG2-CG2 4.42Å; V113-L148 HydrophobicContact CB-CD2 4.26Å; V113-L148 HydrophobicContact CG1-CD2 3.75Å; V113-L148 HydrophobicContact CG1-CG 4.5Å; V113-L149 HydrophobicContact CG1-CD2 4.14Å; V113-L149 HydrophobicContact CG1-CG 4.35Å
114	Q	98.6	Very high	98.1	Very high	106 Å²	106	45 Å²	45	50%	0.495	24%	0.24	S	C	.	.	H	α-helix	trans	-59.6	-44.4	178	-169.1	-179.3	24.5	0	0	112	L110 V112 H118 L148	L110-Q114 PolarHBondContact O-N 3.18Å; V112-Q114 VanDerWaalsContact C-N 3.31Å; V112-Q114 PolarHBondContact O-N 2.88Å; Q114-H118 WeakPolarHBondContact O-CB 3.48Å; Q114-H118 PolarHBondContact O-N 2.91Å; Q114-L148 HydrophobicContact CB-CD2 3.82Å; Q114-L148 HydrophobicContact CG-CD2 4.42Å
115	L	98.6	Very high	98	Very high	16 Å²	16	47 Å²	47	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-47.9	177.5	177.8	72.8	0	0	0	111.9	K77 C80 K81 L84 D111 V112 V113 L117 H118 H119	K77-L115 HydrophobicContact CG-CD2 4.01Å; K77-L115 WeakPolarHBondContact O-CD2 3.48Å; C80-L115 HydrophobicContact CB-CD2 3.67Å; K81-L115 HydrophobicContact CB-CD1 4.15Å; K81-L115 HydrophobicContact CB-CD2 3.82Å; K81-L115 HydrophobicContact CG-CD1 4.29Å; L84-L115 HydrophobicContact CD1-CD2 4.42Å; L84-L115 HydrophobicContact CD1-CG 4.31Å; D111-L115 WeakPolarHBondContact O-CB 3.13Å; D111-L115 PolarHBondContact O-N 3.19Å; V112-L115 PolarHBondContact O-N 3.41Å; V113-L115 VanDerWaalsContact C-N 3.34Å; V113-L115 PolarHBondContact O-N 3.42Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 PolarHBondContact O-N 3.29Å; L115-H118 WeakPolarHBondContact O-CB 3.48Å; L115-H118 PolarHBondContact O-N 3.12Å; L115-H119 PolarHBondContact O-CD2 3.48Å; L115-H119 VanDerWaalsContact O-CD2 3.31Å; L115-H119 PolarHBondContact O-N 2.71Å
116	L	98.6	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-45	-179.6	-74.2	171.8	0	0	0	111.2	L68 L84 P100 L101 V112 V113 H118 H119 G120 A121	L68-L116 HydrophobicContact CD1-CD2 4.22Å; L68-L116 HydrophobicContact CD2-CD2 4.1Å; L68-L116 HydrophobicContact CG-CD2 4.33Å; L84-L116 HydrophobicContact CD1-CD2 4.24Å; P100-L116 HydrophobicContact CB-CD1 4.09Å; P100-L116 HydrophobicContact CB-CD2 4.23Å; L101-L116 HydrophobicContact CB-CD1 4.26Å; L101-L116 HydrophobicContact CD1-CB 4.13Å; L101-L116 HydrophobicContact CD1-CD1 4.19Å; V112-L116 HydrophobicContact CG1-CD1 3.8Å; V112-L116 HydrophobicContact CG1-CG 4.13Å; V112-L116 WeakPolarHBondContact O-CB 3.22Å; V112-L116 VanDerWaalsContact O-CG 3.32Å; V112-L116 WeakPolarHBondContact O-CG 3.47Å; V112-L116 PolarHBondContact O-N 3.09Å; V113-L116 PolarHBondContact O-N 3.43Å; L116-H118 VanDerWaalsContact C-N 3.33Å; L116-H118 PolarHBondContact O-N 3.39Å; L116-H119 CarbonylContact O-C 3.51Å; L116-H119 PolarHBondContact O-N 2.93Å; L116-H119 VanDerWaalsContact O-N 3.14Å; L116-G120 PolarHBondContact O-N 3.32Å; L116-A121 VanDerWaalsContact C-CB 3.49Å; L116-A121 HydrophobicContact CB-CB 3.8Å; L116-A121 WeakPolarHBondContact O-CB 3.1Å; L116-A121 PolarHBondContact O-N 3.17Å
117	L	98.3	Very high	97.8	Very high	29 Å²	29	45.5 Å²	45.5	15%	0.152	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-42.4	176	-68.4	168.4	0	0	0	111.6	L101 V113 L115 H119 G120 P123 L148 L149 C152	L101-L117 HydrophobicContact CD1-CD2 4.46Å; L101-L117 HydrophobicContact CD1-CG 4.31Å; L101-L117 HydrophobicContact CD2-CD2 3.89Å; V113-L117 HydrophobicContact CG1-CD1 3.88Å; V113-L117 VanDerWaalsContact O-CG 3.27Å; V113-L117 WeakPolarHBondContact O-CG 3.43Å; V113-L117 PolarHBondContact O-N 3.48Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 PolarHBondContact O-N 3.29Å; L117-H119 PolarHBondContact O-N 2.88Å; L117-G120 PolarHBondContact O-N 2.78Å; L117-G120 VanDerWaalsContact O-N 3.12Å; L117-P123 HydrophobicContact CD2-CB 3.92Å; L117-P123 HydrophobicContact CD2-CG 4.09Å; L117-L148 HydrophobicContact CD1-CD2 4.41Å; L117-L148 HydrophobicContact CD1-CG 4.28Å; L117-L149 HydrophobicContact CD1-CD2 4.26Å; L117-C152 HydrophobicContact CD1-CB 4.33Å
118	H	97.9	Very high	97.7	Very high	159 Å²	159	45.2 Å²	45.2	74%	0.736	26%	0.255	S	S	*	.	H	α-helix	trans	-60.7	-34.2	175.8	-175.7	73.8	0	0	0	112.6	Q114 L115 L116 G120	Q114-H118 WeakPolarHBondContact O-CB 3.48Å; Q114-H118 PolarHBondContact O-N 2.91Å; L115-H118 WeakPolarHBondContact O-CB 3.48Å; L115-H118 PolarHBondContact O-N 3.12Å; L116-H118 VanDerWaalsContact C-N 3.33Å; L116-H118 PolarHBondContact O-N 3.39Å; H118-G120 VanDerWaalsContact C-N 3.31Å; H118-G120 PolarHBondContact O-N 3.24Å
119	H	98	Very high	97.6	Very high	65 Å²	65	48.4 Å²	48.4	30%	0.301	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	19.7	177.2	-76.7	-93.6	0	0	0	113.9	L84 L115 L116 L117	L84-H119 HydrophobicContact CD1-CB 3.81Å; L84-H119 HydrophobicContact CD2-CB 4.15Å; L84-H119 HydrophobicContact CG-CB 4.39Å; L115-H119 PolarHBondContact O-CD2 3.48Å; L115-H119 VanDerWaalsContact O-CD2 3.31Å; L115-H119 PolarHBondContact O-N 2.71Å; L116-H119 CarbonylContact O-C 3.51Å; L116-H119 PolarHBondContact O-N 2.93Å; L116-H119 VanDerWaalsContact O-N 3.14Å; L117-H119 PolarHBondContact O-N 2.88Å
120	G	96.3	Very high	97.5	Very high	48 Å²	48	46 Å²	46	50%	0.495	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	22.8	171.5	0	0	0	0	0	115	N91 L116 L117 H118 D122	N91-G120 PolarHBondContact ND2-O 3.18Å; L116-G120 PolarHBondContact O-N 3.32Å; L117-G120 PolarHBondContact O-N 2.78Å; L117-G120 VanDerWaalsContact O-N 3.12Å; H118-G120 VanDerWaalsContact C-N 3.31Å; H118-G120 PolarHBondContact O-N 3.24Å; G120-D122 PolarHBondContact O-N 3.15Å
121	A	97.9	Very high	97.5	Very high	6 Å²	6	43 Å²	43	5%	0.05	24%	0.244	C	C	.	.			trans	-62.7	132.8	165.1	0	0	0	0	0	109.8	A90 N91 L101 L116 P123	A90-A121 HydrophobicContact CB-CB 4.37Å; N91-A121 VanDerWaalsContact OD1-CA 3.26Å; N91-A121 WeakPolarHBondContact OD1-CA 3.47Å; L101-A121 HydrophobicContact CB-CB 4.41Å; L101-A121 HydrophobicContact CD2-CB 4.13Å; L116-A121 VanDerWaalsContact C-CB 3.49Å; L116-A121 HydrophobicContact CB-CB 3.8Å; L116-A121 WeakPolarHBondContact O-CB 3.1Å; L116-A121 PolarHBondContact O-N 3.17Å; A121-P123 WeakPolarHBondContact O-CD 3.33Å
122	D	97.8	Very high	97.4	Very high	64 Å²	64	38.8 Å²	38.8	34%	0.342	22%	0.221	S	C	.	.			trans	-88.2	112.1	-178.4	-178.4	-3.1	0	0	0	109.9	N91 G120 Q124 L125	N91-D122 PolarHBondContact OD1-N 2.97Å; G120-D122 PolarHBondContact O-N 3.15Å; D122-Q124 PolarHBondContact O-N 3.3Å; D122-Q124 VanDerWaalsContact OD1-CB 3.31Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.48Å; D122-Q124 PolarHBondContact OD1-N 2.7Å; D122-L125 HydrophobicContact CB-CD1 3.98Å; D122-L125 HydrophobicContact CB-CG 3.89Å; D122-L125 PolarHBondContact O-N 3.19Å
123	P	97.3	Very high	97.4	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.104	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.4	-179.4	35.9	-38.8	0	0	0	113.4	L101 L117 A121 P133 L149 C153 L156	L101-P123 HydrophobicContact CD2-CB 3.95Å; L117-P123 HydrophobicContact CD2-CB 3.92Å; L117-P123 HydrophobicContact CD2-CG 4.09Å; A121-P123 WeakPolarHBondContact O-CD 3.33Å; P123-P133 VanDerWaalsContact O-CD 3.31Å; P123-P133 WeakPolarHBondContact O-CD 3.49Å; P123-L149 HydrophobicContact CB-CD2 4.21Å; P123-C153 HydrophobicContact CG-CB 3.94Å; P123-L156 HydrophobicContact CB-CD1 4.05Å; P123-L156 VanDerWaalsContact O-CD2 3.31Å; P123-L156 WeakPolarHBondContact O-CD2 3.45Å
124	Q	96.4	Very high	97.4	Very high	64 Å²	64	38.8 Å²	38.8	30%	0.299	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-13.6	177.3	-64.6	-68.8	-27.1	0	0	113.3	D122 C126 C153 S155 L156	D122-Q124 PolarHBondContact O-N 3.3Å; D122-Q124 VanDerWaalsContact OD1-CB 3.31Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.48Å; D122-Q124 PolarHBondContact OD1-N 2.7Å; Q124-C126 PolarHBondContact O-N 2.92Å; Q124-C126 PolarHBondContact O-SG 2.9Å; Q124-C153 PolarHBondContact NE2-SG 3.04Å; Q124-S155 PolarHBondContact NE2-OG 3.34Å; Q124-L156 VanDerWaalsContact CD-CD2 3.49Å; Q124-L156 HydrophobicContact CG-CD2 4.46Å; Q124-L156 VanDerWaalsContact NE2-CD2 3.3Å
125	L	96.6	Very high	97.3	Very high	43 Å²	43	33.8 Å²	33.8	23%	0.225	20%	0.197	C	C	.	.			trans	-60.5	138.2	176.1	-70.5	176.1	0	0	0	110.3	N91 T99 H102 D122 P133	N91-L125 HydrophobicContact CB-CD1 3.84Å; T99-L125 HydrophobicContact CG2-CB 4.2Å; T99-L125 HydrophobicContact CG2-CD1 3.84Å; H102-L125 PolarHBondContact CE1-O 2.84Å; H102-L125 PolarHBondContact NE2-O 2.74Å; D122-L125 HydrophobicContact CB-CD1 3.98Å; D122-L125 HydrophobicContact CB-CG 3.89Å; D122-L125 PolarHBondContact O-N 3.19Å; L125-P133 WeakPolarHBondContact O-CD 3.13Å
126	C	96.1	Very high	97.3	Very high	41 Å²	41	34.4 Å²	34.4	28%	0.277	20%	0.199	S	C	.	.			trans	-111	142.4	-177.5	-59.9	0	0	0	0	110.2	Q124 S131 H159	Q124-C126 PolarHBondContact O-N 2.92Å; Q124-C126 PolarHBondContact O-SG 2.9Å; C126-S131 WeakPolarHBondContact CA-O 3.45Å; C126-H159 PolarHBondContact SG-CE1 2.66Å
127	D	96.6	Very high	97.2	Very high	16 Å²	16	34.4 Å²	34.4	9%	0.086	20%	0.199	C	C	.	.			trans	-75.2	-176.6	170.5	75.5	7.9	0	0	0	112.3	G96 A98 H102 D129 G130 S131 K136	G96-D127 CarbonylContact O-C 3.53Å; A98-D127 HydrophobicContact CB-CB 4.31Å; H102-D127 PolarHBondContact NE2-N 2.96Å; D127-D129 PolarHBondContact O-N 2.98Å; D127-D129 VanDerWaalsContact O-N 3.14Å; D127-D129 WeakPolarHBondContact OD1-CA 2.78Å; D127-D129 WeakPolarHBondContact OD1-CB 3.47Å; D127-D129 PolarHBondContact OD1-N 3.38Å; D127-G130 WeakPolarHBondContact O-CA 3.49Å; D127-G130 PolarHBondContact O-N 2.93Å; D127-G130 PolarHBondContact OD1-N 3.16Å; D127-S131 PolarHBondContact N-O 3.17Å; D127-S131 VanDerWaalsContact OD1-CB 3.3Å; D127-S131 WeakPolarHBondContact OD1-CB 3.29Å; D127-S131 PolarHBondContact OD1-N 3.26Å; D127-K136 WeakPolarHBondContact OD2-CE 3.27Å; D127-K136 IonicContact OD2-NZ 2.72Å; D127-K136 PolarHBondContact OD2-NZ 3.26Å; D127-K136 VanDerWaalsContact OD2-NZ 3.15Å
128	G	96.3	Very high	97.2	Very high	34 Å²	34	33 Å²	33	35%	0.351	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.5	-178.7	0	0	0	0	0	113.8	G96 G130 K162	G96-G128 WeakPolarHBondContact O-CA 3.44Å; G96-G128 PolarHBondContact O-N 3.15Å; G128-G130 VanDerWaalsContact C-N 3.32Å; G128-K162 VanDerWaalsContact O-CE 3.27Å; G128-K162 WeakPolarHBondContact O-CE 3.24Å; G128-K162 PolarHBondContact O-NZ 3.13Å
129	D	95.6	Very high	97	Very high	91 Å²	91	29.4 Å²	29.4	49%	0.487	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	2.7	174.4	-62.5	-41.9	0	0	0	112.1	D127 S131 K136 K162	D127-D129 PolarHBondContact O-N 2.98Å; D127-D129 VanDerWaalsContact O-N 3.14Å; D127-D129 WeakPolarHBondContact OD1-CA 2.78Å; D127-D129 WeakPolarHBondContact OD1-CB 3.47Å; D127-D129 PolarHBondContact OD1-N 3.38Å; D129-S131 PolarHBondContact O-N 3.27Å; D129-K136 IonicContact OD2-NZ 3.09Å; D129-K162 VanDerWaalsContact O-CB 3.29Å; D129-K162 WeakPolarHBondContact O-CB 3.29Å; D129-K162 WeakPolarHBondContact O-CG 3.41Å; D129-K162 PolarHBondContact O-N 2.72Å
130	G	96.9	Very high	97	Very high	12 Å²	12	29.7 Å²	29.7	12%	0.124	18%	0.177	C	C	.	.	S	Bend	trans	71.5	12.9	-169.6	0	0	0	0	0	112.7	D127 G128 H159 N161	D127-G130 WeakPolarHBondContact O-CA 3.49Å; D127-G130 PolarHBondContact O-N 2.93Å; D127-G130 PolarHBondContact OD1-N 3.16Å; G128-G130 VanDerWaalsContact C-N 3.32Å; G130-H159 PolarHBondContact O-CE1 3.34Å; G130-N161 WeakPolarHBondContact O-CA 3.44Å
131	S	97.4	Very high	96.9	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.028	17%	0.166	C	C	.	.			trans	-83.7	131.2	-179.4	-59.9	0	0	0	0	109.6	H102 C126 D127 D129	H102-S131 PolarHBondContact NE2-O 2.97Å; C126-S131 WeakPolarHBondContact CA-O 3.45Å; D127-S131 PolarHBondContact N-O 3.17Å; D127-S131 VanDerWaalsContact OD1-CB 3.3Å; D127-S131 WeakPolarHBondContact OD1-CB 3.29Å; D127-S131 PolarHBondContact OD1-N 3.26Å; D129-S131 PolarHBondContact O-N 3.27Å
132	S	97.8	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.			trans	-80.2	169	168.9	69.1	0	0	0	0	111.2	L134 H135 K136	S132-L134 PolarHBondContact O-N 3.11Å; S132-L134 VanDerWaalsContact O-N 3.15Å; S132-H135 PolarHBondContact N-ND1 3.04Å; S132-H135 VanDerWaalsContact N-ND1 3.15Å; S132-H135 WeakPolarHBondContact O-CB 3.19Å; S132-H135 PolarHBondContact O-N 3.47Å; S132-H135 PolarHBondContact OG-ND1 3.22Å; S132-K136 PolarHBondContact O-N 3.01Å
133	P	98	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-54	-32.8	172.1	-27	35.8	0	0	0	113.4	L101 A105 P123 L125 K136 A137 L149	L101-P133 HydrophobicContact CB-CG 4.31Å; L101-P133 HydrophobicContact CD2-CB 4.43Å; L101-P133 HydrophobicContact CD2-CG 3.96Å; L101-P133 HydrophobicContact CG-CB 4.02Å; L101-P133 HydrophobicContact CG-CG 3.86Å; A105-P133 HydrophobicContact CB-CB 3.91Å; A105-P133 WeakPolarHBondContact CB-O 3.41Å; P123-P133 VanDerWaalsContact O-CD 3.31Å; P123-P133 WeakPolarHBondContact O-CD 3.49Å; L125-P133 WeakPolarHBondContact O-CD 3.13Å; P133-K136 PolarHBondContact O-N 3.49Å; P133-A137 PolarHBondContact O-N 3.27Å; P133-L149 HydrophobicContact CB-CD1 4.12Å; P133-L149 HydrophobicContact CB-CD2 4.44Å
134	L	98	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-37.4	176.5	-177.6	62.8	0	0	0	112.3	S132 K136 A137 A138 C146 L149 L150 L156 P167 L180	S132-L134 PolarHBondContact O-N 3.11Å; S132-L134 VanDerWaalsContact O-N 3.15Å; L134-K136 VanDerWaalsContact C-N 3.3Å; L134-K136 PolarHBondContact O-N 3.47Å; L134-A137 PolarHBondContact O-N 2.83Å; L134-A138 VanDerWaalsContact O-CB 3.27Å; L134-A138 WeakPolarHBondContact O-CB 3.17Å; L134-A138 PolarHBondContact O-N 3.37Å; L134-C146 HydrophobicContact CD1-CB 3.83Å; L134-L149 HydrophobicContact CB-CD1 4.17Å; L134-L149 HydrophobicContact CD1-CB 4.21Å; L134-L149 HydrophobicContact CD1-CD1 4.31Å; L134-L150 HydrophobicContact CD1-CG 4.36Å; L134-L150 HydrophobicContact CD2-CD2 3.67Å; L134-L150 HydrophobicContact CD2-CG 3.98Å; L134-L156 HydrophobicContact CB-CB 4.27Å; L134-L156 HydrophobicContact CB-CD1 4.18Å; L134-L156 HydrophobicContact CD2-CB 3.57Å; L134-P167 HydrophobicContact CB-CG 4.45Å; L134-P167 HydrophobicContact CD2-CB 4.1Å; L134-P167 HydrophobicContact CD2-CG 3.81Å; L134-P167 HydrophobicContact CG-CB 3.89Å; L134-P167 HydrophobicContact CG-CG 3.91Å; L134-L180 HydrophobicContact CD1-CD2 4.02Å
135	H	97.8	Very high	96.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-42.3	174.2	-70.3	81.3	0	0	0	111	S132 A138 E139 H159 Q165 L170	S132-H135 PolarHBondContact N-ND1 3.04Å; S132-H135 VanDerWaalsContact N-ND1 3.15Å; S132-H135 WeakPolarHBondContact O-CB 3.19Å; S132-H135 PolarHBondContact O-N 3.47Å; S132-H135 PolarHBondContact OG-ND1 3.22Å; H135-A138 PolarHBondContact O-N 3.5Å; H135-E139 WeakPolarHBondContact O-CB 3.3Å; H135-E139 PolarHBondContact O-N 2.88Å; H135-H159 AromaticContact CE1-ND1 3.58Å; H135-H159 PolarHBondContact CE1-O 2.95Å; H135-H159 PolarHBondContact NE2-O 2.94Å; H135-Q165 PolarHBondContact NE2-O 3.37Å; H135-L170 HydrophobicContact CB-CD1 3.82Å
136	K	97.6	Very high	96.9	Very high	29 Å²	29	30.1 Å²	30.1	13%	0.126	17%	0.168	C	C	.	.	H	α-helix	trans	-69	-39.4	179.6	-62.3	-56.6	-178.7	-168.5	0	112.9	Y106 D127 D129 S132 P133 L134 Q140	Y106-K136 HydrophobicContact CD2-CB 4.25Å; Y106-K136 HydrophobicContact CD2-CD 4.28Å; D127-K136 WeakPolarHBondContact OD2-CE 3.27Å; D127-K136 IonicContact OD2-NZ 2.72Å; D127-K136 PolarHBondContact OD2-NZ 3.26Å; D127-K136 VanDerWaalsContact OD2-NZ 3.15Å; D129-K136 IonicContact OD2-NZ 3.09Å; S132-K136 PolarHBondContact O-N 3.01Å; P133-K136 PolarHBondContact O-N 3.49Å; L134-K136 VanDerWaalsContact C-N 3.3Å; L134-K136 PolarHBondContact O-N 3.47Å; K136-Q140 PolarHBondContact O-N 3.07Å
137	A	97.6	Very high	96.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-40.2	173.5	0	0	0	0	0	111.8	A105 P133 L134 Q140 S141 H142 V145 L149	A105-A137 HydrophobicContact CB-CB 4.27Å; P133-A137 PolarHBondContact O-N 3.27Å; L134-A137 PolarHBondContact O-N 2.83Å; A137-Q140 PolarHBondContact O-N 3.31Å; A137-S141 PolarHBondContact O-N 3.14Å; A137-H142 HydrophobicContact CB-CB 4.33Å; A137-H142 PolarHBondContact O-N 3.03Å; A137-V145 HydrophobicContact CB-CB 4.13Å; A137-V145 HydrophobicContact CB-CG1 3.64Å; A137-L149 HydrophobicContact CB-CD1 4.4Å
138	A	96.7	Very high	96.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-44.1	178.4	0	0	0	0	0	112.4	L134 H135 Q140 S141 P167 L180	L134-A138 VanDerWaalsContact O-CB 3.27Å; L134-A138 WeakPolarHBondContact O-CB 3.17Å; L134-A138 PolarHBondContact O-N 3.37Å; H135-A138 PolarHBondContact O-N 3.5Å; A138-Q140 PolarHBondContact O-N 3.07Å; A138-S141 PolarHBondContact O-N 2.9Å; A138-P167 HydrophobicContact CB-CB 4.14Å; A138-P167 WeakPolarHBondContact CB-O 3.26Å; A138-L180 HydrophobicContact CB-CD1 3.51Å
139	E	95.6	Very high	97	Very high	83 Å²	83	31.5 Å²	31.5	39%	0.388	16%	0.157	S	C	.	.	H	α-helix	trans	-57.1	-31.4	176.5	-175.9	-178.3	-161.5	0	0	112.7	H135 L170	H135-E139 WeakPolarHBondContact O-CB 3.3Å; H135-E139 PolarHBondContact O-N 2.88Å; E139-L170 HydrophobicContact CB-CB 4.43Å
140	Q	96.1	Very high	97	Very high	72 Å²	72	27.8 Å²	27.8	34%	0.336	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	13	-177.5	-59.5	-58.6	-48.6	0	0	113.5	Y106 K136 A137 A138 H142	Y106-Q140 HydrophobicContact CD2-CG 3.59Å; Y106-Q140 HydrophobicContact CE2-CG 3.5Å; Y106-Q140 VanDerWaalsContact CE2-CG 3.5Å; Y106-Q140 VanDerWaalsContact CE2-NE2 3.29Å; Y106-Q140 HydrophobicContact CG-CG 4.21Å; Y106-Q140 WeakPolarHBondContact O-CG 3.27Å; K136-Q140 PolarHBondContact O-N 3.07Å; A137-Q140 PolarHBondContact O-N 3.31Å; A138-Q140 PolarHBondContact O-N 3.07Å; Q140-H142 VanDerWaalsContact C-N 3.28Å; Q140-H142 VanDerWaalsContact CB-CD2 3.49Å; Q140-H142 WeakPolarHBondContact CB-CD2 3.45Å; Q140-H142 WeakPolarHBondContact CB-NE2 3.38Å; Q140-H142 PolarHBondContact O-N 3.31Å
141	S	95.4	Very high	96.9	Very high	38 Å²	38	34.4 Å²	34.4	27%	0.266	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	31.2	-179.5	-71.6	0	0	0	0	115.9	A137 A138 E143 P172 D173	A137-S141 PolarHBondContact O-N 3.14Å; A138-S141 PolarHBondContact O-N 2.9Å; S141-E143 PolarHBondContact O-N 3.5Å; S141-P172 VanDerWaalsContact OG-CD 3.3Å; S141-P172 WeakPolarHBondContact OG-CD 3.17Å; S141-P172 WeakPolarHBondContact OG-CG 3.39Å; S141-D173 PolarHBondContact OG-OD2 3.09Å
142	H	97	Very high	96.8	Very high	54 Å²	54	37.6 Å²	37.6	25%	0.25	19%	0.187	C	C	.	.			trans	-84.6	79.2	178.3	-63	-43.2	0	0	0	111.4	A105 Y106 G108 A137 Q140 D144 V145 C146	A105-H142 PolarHBondContact O-CD2 3.04Å; A105-H142 VanDerWaalsContact O-CD2 3.29Å; Y106-H142 PolarHBondContact O-CD2 2.87Å; Y106-H142 PolarHBondContact O-NE2 2.74Å; Y106-H142 VanDerWaalsContact O-NE2 3.09Å; G108-H142 WeakPolarHBondContact CA-CD2 3.43Å; G108-H142 VanDerWaalsContact CA-CG 3.4Å; G108-H142 PolarHBondContact N-CD2 3.13Å; G108-H142 PolarHBondContact N-NE2 2.91Å; G108-H142 VanDerWaalsContact N-NE2 3.18Å; A137-H142 HydrophobicContact CB-CB 4.33Å; A137-H142 PolarHBondContact O-N 3.03Å; Q140-H142 VanDerWaalsContact C-N 3.28Å; Q140-H142 VanDerWaalsContact CB-CD2 3.49Å; Q140-H142 WeakPolarHBondContact CB-CD2 3.45Å; Q140-H142 WeakPolarHBondContact CB-NE2 3.38Å; Q140-H142 PolarHBondContact O-N 3.31Å; H142-D144 PolarHBondContact O-N 3.22Å; H142-V145 HydrophobicContact CB-CB 4.05Å; H142-V145 HydrophobicContact CB-CG2 4.19Å; H142-V145 PolarHBondContact O-N 3.44Å; H142-C146 PolarHBondContact O-N 3.36Å; H142-C146 PolarHBondContact O-SG 2.99Å
143	E	95.8	Very high	96.5	Very high	52 Å²	52	38.8 Å²	38.8	24%	0.243	19%	0.194	C	C	.	.	H	α-helix	trans	-55.8	-49	-174.9	-171	-177.7	156.2	0	0	113.2	S141 V145 C146 R147 H175 L176 L179	S141-E143 PolarHBondContact O-N 3.5Å; E143-V145 VanDerWaalsContact C-N 3.29Å; E143-V145 PolarHBondContact O-N 3.2Å; E143-C146 WeakPolarHBondContact O-CA 3.39Å; E143-C146 WeakPolarHBondContact O-CB 3.44Å; E143-C146 PolarHBondContact O-N 3.43Å; E143-C146 VanDerWaalsContact O-N 3.08Å; E143-R147 WeakPolarHBondContact O-CG 3.34Å; E143-R147 PolarHBondContact O-N 3.2Å; E143-R147 IonicContact OE1-CZ 3.21Å; E143-R147 IonicContact OE1-NE 2.96Å; E143-R147 PolarHBondContact OE1-NE 2.91Å; E143-R147 IonicContact OE1-NH2 2.65Å; E143-R147 PolarHBondContact OE1-NH2 3.22Å; E143-H175 IonicContact OE1-CD2 2.75Å; E143-H175 IonicContact OE1-NE2 3.06Å; E143-H175 PolarHBondContact OE1-NE2 2.88Å; E143-H175 IonicContact OE2-CD2 3.83Å; E143-H175 PolarHBondContact OE2-CD2 3Å; E143-H175 IonicContact OE2-NE2 3.11Å; E143-H175 PolarHBondContact OE2-NE2 3.12Å; E143-H175 VanDerWaalsContact OE2-NE2 3.11Å; E143-L176 HydrophobicContact CB-CD1 4.43Å; E143-L176 HydrophobicContact CG-CD1 4.38Å; E143-L179 HydrophobicContact CG-CD2 3.64Å
144	D	96.9	Very high	96.3	Very high	103 Å²	103	43.2 Å²	43.2	55%	0.551	22%	0.223	S	C	*	.	H	α-helix	trans	-62.8	-38.3	-177.6	-62.7	-31.3	0	0	0	112	L110 H142 R147 L148	L110-D144 HydrophobicContact CD1-CB 4.12Å; L110-D144 HydrophobicContact CD2-CB 3.95Å; H142-D144 PolarHBondContact O-N 3.22Å; D144-R147 PolarHBondContact O-N 3.43Å; D144-L148 WeakPolarHBondContact O-CB 3.42Å; D144-L148 PolarHBondContact O-N 3.45Å
145	V	98.1	Very high	96	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-42.2	174.7	174.6	0	0	0	0	110.5	A105 L110 V113 A137 H142 E143 R147 L148 L149	A105-V145 HydrophobicContact CB-CG1 4.05Å; L110-V145 HydrophobicContact CB-CG2 4.28Å; L110-V145 HydrophobicContact CD1-CG2 4.23Å; V113-V145 HydrophobicContact CG1-CG1 4.34Å; V113-V145 HydrophobicContact CG2-CG1 4.01Å; V113-V145 HydrophobicContact CG2-CG2 4.42Å; A137-V145 HydrophobicContact CB-CB 4.13Å; A137-V145 HydrophobicContact CB-CG1 3.64Å; H142-V145 HydrophobicContact CB-CB 4.05Å; H142-V145 HydrophobicContact CB-CG2 4.19Å; H142-V145 PolarHBondContact O-N 3.44Å; E143-V145 VanDerWaalsContact C-N 3.29Å; E143-V145 PolarHBondContact O-N 3.2Å; V145-R147 PolarHBondContact O-N 3.4Å; V145-L148 PolarHBondContact O-N 3.03Å; V145-L149 HydrophobicContact CG1-CD1 3.81Å; V145-L149 HydrophobicContact CG1-CG 4.28Å; V145-L149 WeakPolarHBondContact O-CB 3.16Å; V145-L149 WeakPolarHBondContact O-CG 3.27Å; V145-L149 PolarHBondContact O-N 2.89Å
146	C	97.1	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-45.6	175.6	-68.9	0	0	0	0	111.6	L134 H142 E143 L149 L150 L176 L179 L180	L134-C146 HydrophobicContact CD1-CB 3.83Å; H142-C146 PolarHBondContact O-N 3.36Å; H142-C146 PolarHBondContact O-SG 2.99Å; E143-C146 WeakPolarHBondContact O-CA 3.39Å; E143-C146 WeakPolarHBondContact O-CB 3.44Å; E143-C146 PolarHBondContact O-N 3.43Å; E143-C146 VanDerWaalsContact O-N 3.08Å; C146-L149 PolarHBondContact O-N 3.45Å; C146-L150 WeakPolarHBondContact O-CB 3.33Å; C146-L150 WeakPolarHBondContact O-CG 3.35Å; C146-L150 PolarHBondContact O-N 3.4Å; C146-L176 HydrophobicContact CB-CD1 4.18Å; C146-L179 HydrophobicContact CB-CD2 4.35Å; C146-L180 HydrophobicContact CB-CD2 4.01Å
147	R	96.3	Very high	95.5	Very high	99 Å²	99	48 Å²	48	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-58.6	-49.5	175.9	-70.5	-178.2	-177.7	-83.2	-1	110.8	E143 D144 V145 L150 Q151 L179	E143-R147 WeakPolarHBondContact O-CG 3.34Å; E143-R147 PolarHBondContact O-N 3.2Å; E143-R147 IonicContact OE1-CZ 3.21Å; E143-R147 IonicContact OE1-NE 2.96Å; E143-R147 PolarHBondContact OE1-NE 2.91Å; E143-R147 IonicContact OE1-NH2 2.65Å; E143-R147 PolarHBondContact OE1-NH2 3.22Å; D144-R147 PolarHBondContact O-N 3.43Å; V145-R147 PolarHBondContact O-N 3.4Å; R147-L150 PolarHBondContact O-N 2.72Å; R147-Q151 WeakPolarHBondContact O-CB 3.32Å; R147-Q151 VanDerWaalsContact O-CG 3.25Å; R147-Q151 WeakPolarHBondContact O-CG 3.38Å; R147-Q151 PolarHBondContact O-N 2.96Å; R147-L179 HydrophobicContact CG-CD1 4.06Å; R147-L179 HydrophobicContact CG-CD2 3.53Å; R147-L179 HydrophobicContact CG-CG 4.42Å
148	L	97.7	Very high	95.1	Very high	22 Å²	22	52.3 Å²	52.3	12%	0.115	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-47.1	-180	179.4	63.9	0	0	0	112	L110 V113 Q114 L117 D144 V145 L150 Q151 C152	L110-L148 HydrophobicContact CD1-CB 4.08Å; L110-L148 HydrophobicContact CD1-CD2 3.68Å; V113-L148 HydrophobicContact CB-CD2 4.26Å; V113-L148 HydrophobicContact CG1-CD2 3.75Å; V113-L148 HydrophobicContact CG1-CG 4.5Å; Q114-L148 HydrophobicContact CB-CD2 3.82Å; Q114-L148 HydrophobicContact CG-CD2 4.42Å; L117-L148 HydrophobicContact CD1-CD2 4.41Å; L117-L148 HydrophobicContact CD1-CG 4.28Å; D144-L148 WeakPolarHBondContact O-CB 3.42Å; D144-L148 PolarHBondContact O-N 3.45Å; V145-L148 PolarHBondContact O-N 3.03Å; L148-L150 VanDerWaalsContact C-N 3.32Å; L148-L150 PolarHBondContact O-N 3.01Å; L148-Q151 PolarHBondContact O-N 3.32Å; L148-C152 PolarHBondContact O-N 3.34Å; L148-C152 PolarHBondContact O-SG 3.23Å
149	L	97.1	Very high	94.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-39.6	179.4	-74	170.7	0	0	0	112	A105 V113 L117 P123 P133 L134 A137 V145 C146 C152 C153 L156	A105-L149 HydrophobicContact CB-CD1 4.39Å; V113-L149 HydrophobicContact CG1-CD2 4.14Å; V113-L149 HydrophobicContact CG1-CG 4.35Å; L117-L149 HydrophobicContact CD1-CD2 4.26Å; P123-L149 HydrophobicContact CB-CD2 4.21Å; P133-L149 HydrophobicContact CB-CD1 4.12Å; P133-L149 HydrophobicContact CB-CD2 4.44Å; L134-L149 HydrophobicContact CB-CD1 4.17Å; L134-L149 HydrophobicContact CD1-CB 4.21Å; L134-L149 HydrophobicContact CD1-CD1 4.31Å; A137-L149 HydrophobicContact CB-CD1 4.4Å; V145-L149 HydrophobicContact CG1-CD1 3.81Å; V145-L149 HydrophobicContact CG1-CG 4.28Å; V145-L149 WeakPolarHBondContact O-CB 3.16Å; V145-L149 WeakPolarHBondContact O-CG 3.27Å; V145-L149 PolarHBondContact O-N 2.89Å; C146-L149 PolarHBondContact O-N 3.45Å; L149-C152 PolarHBondContact O-N 2.97Å; L149-C153 PolarHBondContact O-N 3.38Å; L149-L156 HydrophobicContact CB-CD1 4.35Å
150	L	95.8	Very high	94.8	Very high	13 Å²	13	54.3 Å²	54.3	7%	0.068	30%	0.295	C	S	.	.	H	α-helix	trans	-71.3	-35.3	176.2	-75.6	172.5	0	0	0	113.1	L134 C146 R147 L148 C152 C153 P154 R157 L180	L134-L150 HydrophobicContact CD1-CG 4.36Å; L134-L150 HydrophobicContact CD2-CD2 3.67Å; L134-L150 HydrophobicContact CD2-CG 3.98Å; C146-L150 WeakPolarHBondContact O-CB 3.33Å; C146-L150 WeakPolarHBondContact O-CG 3.35Å; C146-L150 PolarHBondContact O-N 3.4Å; R147-L150 PolarHBondContact O-N 2.72Å; L148-L150 VanDerWaalsContact C-N 3.32Å; L148-L150 PolarHBondContact O-N 3.01Å; L150-C152 VanDerWaalsContact C-N 3.32Å; L150-C153 CarbonylContact O-C 3.54Å; L150-C153 PolarHBondContact O-N 2.91Å; L150-P154 WeakPolarHBondContact O-CA 3.34Å; L150-P154 VanDerWaalsContact O-CD 3.32Å; L150-P154 WeakPolarHBondContact O-CD 3.39Å; L150-P154 WeakPolarHBondContact O-CG 3.28Å; L150-P154 VanDerWaalsContact O-N 3.14Å; L150-R157 HydrophobicContact CD2-CB 3.75Å; L150-R157 HydrophobicContact CD2-CG 4.43Å; L150-L180 HydrophobicContact CD1-CD2 3.64Å
151	Q	95.7	Very high	94.8	Very high	150 Å²	150	51.4 Å²	51.4	70%	0.701	28%	0.282	S	S	*	.	H	α-helix	trans	-62.4	-41.6	173.2	-76.6	171	-6.6	0	0	111.2	R147 L148	R147-Q151 WeakPolarHBondContact O-CB 3.32Å; R147-Q151 VanDerWaalsContact O-CG 3.25Å; R147-Q151 WeakPolarHBondContact O-CG 3.38Å; R147-Q151 PolarHBondContact O-N 2.96Å; L148-Q151 PolarHBondContact O-N 3.32Å
152	C	93.9	Very high	94.8	Very high	72 Å²	72	57.1 Å²	57.1	49%	0.486	30%	0.302	S	S	.	.	H	α-helix	trans	-75.1	-36.7	177	-68	0	0	0	0	112.7	L117 L148 L149 L150	L117-C152 HydrophobicContact CD1-CB 4.33Å; L148-C152 PolarHBondContact O-N 3.34Å; L148-C152 PolarHBondContact O-SG 3.23Å; L149-C152 PolarHBondContact O-N 2.97Å; L150-C152 VanDerWaalsContact C-N 3.32Å
153	C	92.8	Very high	94.7	Very high	24 Å²	24	62 Å²	62	16%	0.162	32%	0.323	C	S	.	.			trans	-146.4	86.8	-175.9	-145.4	0	0	0	0	112.4	P123 Q124 L149 L150 S155 L156	P123-C153 HydrophobicContact CG-CB 3.94Å; Q124-C153 PolarHBondContact NE2-SG 3.04Å; L149-C153 PolarHBondContact O-N 3.38Å; L150-C153 CarbonylContact O-C 3.54Å; L150-C153 PolarHBondContact O-N 2.91Å; C153-S155 PolarHBondContact O-N 3.33Å; C153-S155 PolarHBondContact SG-OG 2.9Å; C153-L156 HydrophobicContact CB-CD1 4.03Å; C153-L156 HydrophobicContact CB-CG 4.1Å; C153-L156 WeakPolarHBondContact O-CB 3.48Å; C153-L156 PolarHBondContact O-N 3.06Å
154	P	92.7	Very high	94.7	Very high	93 Å²	93	63.9 Å²	63.9	60%	0.604	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-61	-27.5	-177.4	-25.6	33.8	0	0	0	114.3	L150 L156 R157	L150-P154 WeakPolarHBondContact O-CA 3.34Å; L150-P154 VanDerWaalsContact O-CD 3.32Å; L150-P154 WeakPolarHBondContact O-CD 3.39Å; L150-P154 WeakPolarHBondContact O-CG 3.28Å; L150-P154 VanDerWaalsContact O-N 3.14Å; P154-L156 PolarHBondContact O-N 2.88Å; P154-R157 WeakPolarHBondContact O-CB 3.48Å; P154-R157 PolarHBondContact O-N 3.39Å; P154-R157 VanDerWaalsContact O-N 3.16Å
155	S	92.4	Very high	94.6	Very high	66 Å²	66	61.8 Å²	61.8	46%	0.462	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-63.7	-18.8	179.7	53.9	0	0	0	0	113.7	Q124 C153 R157 S158	Q124-S155 PolarHBondContact NE2-OG 3.34Å; C153-S155 PolarHBondContact O-N 3.33Å; C153-S155 PolarHBondContact SG-OG 2.9Å; S155-R157 PolarHBondContact O-N 3Å; S155-S158 PolarHBondContact O-OG 3.21Å
156	L	92.1	Very high	94.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-62.7	-22.6	175	-70	176.8	0	0	0	113.3	P123 Q124 L134 L149 C153 P154 S158 H159	P123-L156 HydrophobicContact CB-CD1 4.05Å; P123-L156 VanDerWaalsContact O-CD2 3.31Å; P123-L156 WeakPolarHBondContact O-CD2 3.45Å; Q124-L156 VanDerWaalsContact CD-CD2 3.49Å; Q124-L156 HydrophobicContact CG-CD2 4.46Å; Q124-L156 VanDerWaalsContact NE2-CD2 3.3Å; L134-L156 HydrophobicContact CB-CB 4.27Å; L134-L156 HydrophobicContact CB-CD1 4.18Å; L134-L156 HydrophobicContact CD2-CB 3.57Å; L149-L156 HydrophobicContact CB-CD1 4.35Å; C153-L156 HydrophobicContact CB-CD1 4.03Å; C153-L156 HydrophobicContact CB-CG 4.1Å; C153-L156 WeakPolarHBondContact O-CB 3.48Å; C153-L156 PolarHBondContact O-N 3.06Å; P154-L156 PolarHBondContact O-N 2.88Å; L156-S158 VanDerWaalsContact C-N 3.27Å; L156-S158 PolarHBondContact O-N 2.99Å; L156-H159 PolarHBondContact O-N 3.3Å
157	R	91.6	Very high	94.2	Very high	65 Å²	65	62.1 Å²	62.1	25%	0.245	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-58.5	-39.2	-177.4	-169.5	173.6	-73.1	-149.3	-5.4	112.8	L150 P154 S155 L179 L180 E181	L150-R157 HydrophobicContact CD2-CB 3.75Å; L150-R157 HydrophobicContact CD2-CG 4.43Å; P154-R157 WeakPolarHBondContact O-CB 3.48Å; P154-R157 PolarHBondContact O-N 3.39Å; P154-R157 VanDerWaalsContact O-N 3.16Å; S155-R157 PolarHBondContact O-N 3Å; R157-L179 PolarHBondContact NH2-O 3.32Å; R157-L180 WeakPolarHBondContact CD-O 3.04Å; R157-L180 WeakPolarHBondContact CG-O 3.21Å; R157-E181 PolarHBondContact NH1-O 3.3Å
158	S	90.1	Very high	94.1	Very high	90 Å²	90	60.9 Å²	60.9	63%	0.629	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-98.1	-1.9	-176.7	54.5	0	0	0	0	113.6	S155 L156	S155-S158 PolarHBondContact O-OG 3.21Å; L156-S158 VanDerWaalsContact C-N 3.27Å; L156-S158 PolarHBondContact O-N 2.99Å
159	H	91.8	Very high	93.8	Very high	53 Å²	53	64.1 Å²	64.1	25%	0.245	34%	0.341	C	S	.	.			trans	-67.2	135.4	179.6	-175.6	-124.7	0	0	0	110.2	C126 G130 H135 L156 P167	C126-H159 PolarHBondContact SG-CE1 2.66Å; G130-H159 PolarHBondContact O-CE1 3.34Å; H135-H159 AromaticContact CE1-ND1 3.58Å; H135-H159 PolarHBondContact CE1-O 2.95Å; H135-H159 PolarHBondContact NE2-O 2.94Å; L156-H159 PolarHBondContact O-N 3.3Å; H159-P167 VanDerWaalsContact O-CD 3.29Å; H159-P167 WeakPolarHBondContact O-CD 3.49Å
160	T	94.9	Very high	93.6	Very high	72 Å²	72	65.7 Å²	65.7	44%	0.442	35%	0.35	S	S	.	.			trans	-114	136.6	179.7	54.6	0	0	0	0	111	Q165 A166	T160-Q165 WeakPolarHBondContact CA-O 3.46Å; T160-A166 HydrophobicContact CG2-CB 4.36Å
161	N	95.2	Very high	93.4	Very high	12 Å²	12	65.2 Å²	65.2	6%	0.064	35%	0.347	C	S	.	.			trans	-72.4	-178.8	172.6	72.9	13.1	0	0	0	112.6	G130 K163 S164 Q165	G130-N161 WeakPolarHBondContact O-CA 3.44Å; N161-K163 PolarHBondContact O-N 3.14Å; N161-K163 VanDerWaalsContact O-N 3.07Å; N161-K163 WeakPolarHBondContact OD1-CA 3.27Å; N161-K163 WeakPolarHBondContact OD1-CB 3.45Å; N161-K163 PolarHBondContact OD1-N 3.2Å; N161-S164 WeakPolarHBondContact O-CA 3.47Å; N161-S164 PolarHBondContact O-N 3.08Å; N161-S164 PolarHBondContact OD1-N 3.43Å; N161-Q165 PolarHBondContact N-O 3.33Å; N161-Q165 WeakPolarHBondContact OD1-CB 3.33Å; N161-Q165 PolarHBondContact OD1-N 2.92Å; N161-Q165 PolarHBondContact OD1-O 2.87Å
162	K	96.3	Very high	93	Very high	157 Å²	157	61.8 Å²	61.8	68%	0.683	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.2	179.7	-71.9	180	179.7	177.8	0	114.6	G128 D129 S164	G128-K162 VanDerWaalsContact O-CE 3.27Å; G128-K162 WeakPolarHBondContact O-CE 3.24Å; G128-K162 PolarHBondContact O-NZ 3.13Å; D129-K162 VanDerWaalsContact O-CB 3.29Å; D129-K162 WeakPolarHBondContact O-CB 3.29Å; D129-K162 WeakPolarHBondContact O-CG 3.41Å; D129-K162 PolarHBondContact O-N 2.72Å; K162-S164 VanDerWaalsContact C-N 3.27Å
163	K	95.1	Very high	92.5	Very high	158 Å²	158	62.4 Å²	62.4	69%	0.687	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	10	173.8	-61	177.1	-179.4	172.8	0	112	N161 Q165	N161-K163 PolarHBondContact O-N 3.14Å; N161-K163 VanDerWaalsContact O-N 3.07Å; N161-K163 WeakPolarHBondContact OD1-CA 3.27Å; N161-K163 WeakPolarHBondContact OD1-CB 3.45Å; N161-K163 PolarHBondContact OD1-N 3.2Å; K163-Q165 HydrophobicContact CB-CG 3.96Å; K163-Q165 PolarHBondContact O-N 2.89Å
164	S	95.3	Very high	91.9	Very high	91 Å²	91	63.9 Å²	63.9	64%	0.636	36%	0.356	S	S	*	.	S	Bend	trans	58.5	28.4	-173.7	-53.9	0	0	0	0	113.1	N161 K162	N161-S164 WeakPolarHBondContact O-CA 3.47Å; N161-S164 PolarHBondContact O-N 3.08Å; N161-S164 PolarHBondContact OD1-N 3.43Å; K162-S164 VanDerWaalsContact C-N 3.27Å
165	Q	94.3	Very high	91.5	Very high	59 Å²	59	64.5 Å²	64.5	28%	0.276	35%	0.35	S	S	.	.			trans	-98.4	125.8	178.6	-58.5	176.7	-73.8	0	0	109.7	H135 T160 N161 K163 Q169 L170	H135-Q165 PolarHBondContact NE2-O 3.37Å; T160-Q165 WeakPolarHBondContact CA-O 3.46Å; N161-Q165 PolarHBondContact N-O 3.33Å; N161-Q165 WeakPolarHBondContact OD1-CB 3.33Å; N161-Q165 PolarHBondContact OD1-N 2.92Å; N161-Q165 PolarHBondContact OD1-O 2.87Å; K163-Q165 HydrophobicContact CB-CG 3.96Å; K163-Q165 PolarHBondContact O-N 2.89Å; Q165-Q169 VanDerWaalsContact CA-OE1 3.23Å; Q165-Q169 HydrophobicContact CB-CB 4.48Å; Q165-L170 HydrophobicContact CB-CD2 4.23Å
166	A	94.4	Very high	91.3	Very high	8 Å²	8	61.6 Å²	61.6	7%	0.066	33%	0.329	C	S	.	.			trans	-80.7	162.2	168.3	0	0	0	0	0	111	T160 Y168 Q169	T160-A166 HydrophobicContact CG2-CB 4.36Å; A166-Y168 VanDerWaalsContact C-N 3.31Å; A166-Y168 HydrophobicContact CB-CD1 3.74Å; A166-Y168 HydrophobicContact CB-CE1 3.7Å; A166-Y168 PolarHBondContact O-N 3.1Å; A166-Q169 WeakPolarHBondContact O-CB 3.41Å; A166-Q169 PolarHBondContact O-N 3.18Å
167	P	92.9	Very high	91.2	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.006	35%	0.346	C	S	.	.	H	α-helix	trans	-54.9	-40.4	-176.1	-28.3	34.1	0	0	0	114.4	L134 A138 H159 Q169 L170 A171 L180	L134-P167 HydrophobicContact CB-CG 4.45Å; L134-P167 HydrophobicContact CD2-CB 4.1Å; L134-P167 HydrophobicContact CD2-CG 3.81Å; L134-P167 HydrophobicContact CG-CB 3.89Å; L134-P167 HydrophobicContact CG-CG 3.91Å; A138-P167 HydrophobicContact CB-CB 4.14Å; A138-P167 WeakPolarHBondContact CB-O 3.26Å; H159-P167 VanDerWaalsContact O-CD 3.29Å; H159-P167 WeakPolarHBondContact O-CD 3.49Å; P167-Q169 PolarHBondContact O-N 3.13Å; P167-L170 PolarHBondContact O-N 2.95Å; P167-L170 VanDerWaalsContact O-N 3.08Å; P167-A171 PolarHBondContact O-N 3.46Å; P167-L180 HydrophobicContact CB-CD1 4.22Å
168	Y	92.9	Very high	91.1	Very high	72 Å²	72	69.1 Å²	69.1	28%	0.282	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-28	179.5	82.1	-86.7	0	0	0	112.8	A166 L170 A171 K177 E181	A166-Y168 VanDerWaalsContact C-N 3.31Å; A166-Y168 HydrophobicContact CB-CD1 3.74Å; A166-Y168 HydrophobicContact CB-CE1 3.7Å; A166-Y168 PolarHBondContact O-N 3.1Å; Y168-L170 PolarHBondContact O-N 2.89Å; Y168-A171 PolarHBondContact O-N 3.25Å; Y168-K177 WeakPolarHBondContact O-CG 3.17Å; Y168-E181 HydrophobicContact CD2-CG 3.9Å; Y168-E181 HydrophobicContact CE2-CG 4.44Å; Y168-E181 HydrophobicContact CG-CG 4.2Å
169	Q	93.3	Very high	91	Very high	90 Å²	90	66.1 Å²	66.1	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-74.7	-17.3	178.7	-61.7	176	-66.9	0	0	112.6	Q165 A166 P167	Q165-Q169 VanDerWaalsContact CA-OE1 3.23Å; Q165-Q169 HydrophobicContact CB-CB 4.48Å; A166-Q169 WeakPolarHBondContact O-CB 3.41Å; A166-Q169 PolarHBondContact O-N 3.18Å; P167-Q169 PolarHBondContact O-N 3.13Å
170	L	92	Very high	90.9	Very high	34 Å²	34	63.7 Å²	63.7	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-92	-16.1	176.5	-60.7	179.6	0	0	0	112.8	H135 E139 Q165 P167 Y168	H135-L170 HydrophobicContact CB-CD1 3.82Å; E139-L170 HydrophobicContact CB-CB 4.43Å; Q165-L170 HydrophobicContact CB-CD2 4.23Å; P167-L170 PolarHBondContact O-N 2.95Å; P167-L170 VanDerWaalsContact O-N 3.08Å; Y168-L170 PolarHBondContact O-N 2.89Å
171	A	91.2	Very high	90.5	Very high	2 Å²	2	64.1 Å²	64.1	2%	0.017	33%	0.329	C	S	.	.			trans	-65.6	125.1	177.6	0	0	0	0	0	110.5	P167 Y168 D173 L176 K177 L180	P167-A171 PolarHBondContact O-N 3.46Å; Y168-A171 PolarHBondContact O-N 3.25Å; A171-D173 VanDerWaalsContact C-N 3.34Å; A171-L176 HydrophobicContact CB-CB 4.07Å; A171-L176 HydrophobicContact CB-CD2 3.92Å; A171-L176 HydrophobicContact CB-CG 3.8Å; A171-K177 HydrophobicContact CB-CG 3.86Å; A171-K177 WeakPolarHBondContact O-CE 3.39Å; A171-L180 HydrophobicContact CB-CD1 4.43Å
172	P	88.1	Confident	89.6	Confident	78 Å²	78	66.9 Å²	66.9	51%	0.506	35%	0.347	S	S	.	.	S	Bend	trans	-72.7	-30	178.3	28.6	-33.4	0	0	0	111.9	S141	S141-P172 VanDerWaalsContact OG-CD 3.3Å; S141-P172 WeakPolarHBondContact OG-CD 3.17Å; S141-P172 WeakPolarHBondContact OG-CG 3.39Å
173	D	82.9	Confident	88.4	Confident	86 Å²	86	64.7 Å²	64.7	46%	0.46	35%	0.349	S	S	.	.	S	Bend	trans	-106.8	145.9	-169.1	-45.3	-40	0	0	0	112.6	S141 A171 H175 L176 K177	S141-D173 PolarHBondContact OG-OD2 3.09Å; A171-D173 VanDerWaalsContact C-N 3.34Å; D173-H175 PolarHBondContact O-N 3.19Å; D173-L176 PolarHBondContact O-N 3.22Å; D173-K177 WeakPolarHBondContact O-CG 3.46Å; D173-K177 PolarHBondContact O-N 3.11Å
174	G	79.6	Confident	86.7	Confident	54 Å²	54	69 Å²	69	56%	0.557	37%	0.372	S	S	*	.	H	α-helix	trans	-64.2	-36.9	-175.7	0	0	0	0	0	114.8	L176 K177 E178	G174-L176 PolarHBondContact O-N 3.14Å; G174-K177 WeakPolarHBondContact O-CB 3.41Å; G174-K177 PolarHBondContact O-N 3.36Å; G174-E178 PolarHBondContact O-N 2.8Å
175	H	85.2	Confident	86.3	Confident	106 Å²	106	67.9 Å²	67.9	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-64.3	-41	179.4	179.4	78.5	0	0	0	112.2	E143 D173 E178 L179	E143-H175 IonicContact OE1-CD2 2.75Å; E143-H175 IonicContact OE1-NE2 3.06Å; E143-H175 PolarHBondContact OE1-NE2 2.88Å; E143-H175 IonicContact OE2-CD2 3.83Å; E143-H175 PolarHBondContact OE2-CD2 3Å; E143-H175 IonicContact OE2-NE2 3.11Å; E143-H175 PolarHBondContact OE2-NE2 3.12Å; E143-H175 VanDerWaalsContact OE2-NE2 3.11Å; D173-H175 PolarHBondContact O-N 3.19Å; H175-E178 PolarHBondContact O-N 3.49Å; H175-L179 PolarHBondContact O-N 3.16Å
176	L	89	Confident	85.9	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-71.4	-32.8	176.2	-177.1	57.2	0	0	0	112	E143 C146 A171 D173 G174 L179 L180	E143-L176 HydrophobicContact CB-CD1 4.43Å; E143-L176 HydrophobicContact CG-CD1 4.38Å; C146-L176 HydrophobicContact CB-CD1 4.18Å; A171-L176 HydrophobicContact CB-CB 4.07Å; A171-L176 HydrophobicContact CB-CD2 3.92Å; A171-L176 HydrophobicContact CB-CG 3.8Å; D173-L176 PolarHBondContact O-N 3.22Å; G174-L176 PolarHBondContact O-N 3.14Å; L176-L179 HydrophobicContact CD1-CB 4.44Å; L176-L179 HydrophobicContact CD1-CD2 3.9Å; L176-L179 PolarHBondContact O-N 2.94Å; L176-L180 HydrophobicContact CD1-CD1 3.95Å; L176-L180 HydrophobicContact CD1-CG 4.01Å; L176-L180 HydrophobicContact CG-CD1 3.91Å; L176-L180 HydrophobicContact CG-CG 4.36Å; L176-L180 WeakPolarHBondContact O-CB 3.46Å; L176-L180 VanDerWaalsContact O-CG 3.3Å; L176-L180 WeakPolarHBondContact O-CG 3.2Å; L176-L180 PolarHBondContact O-N 3.43Å; L176-L180 VanDerWaalsContact O-N 3.1Å
177	K	89.4	Confident	85.4	Confident	78 Å²	78	71.7 Å²	71.7	34%	0.339	38%	0.379	S	S	.	.	H	α-helix	trans	-58.2	-49.9	171.7	-72.1	-179.7	-178.4	177.9	0	111.1	Y168 A171 D173 G174 L179 L180 E181	Y168-K177 WeakPolarHBondContact O-CG 3.17Å; A171-K177 HydrophobicContact CB-CG 3.86Å; A171-K177 WeakPolarHBondContact O-CE 3.39Å; D173-K177 WeakPolarHBondContact O-CG 3.46Å; D173-K177 PolarHBondContact O-N 3.11Å; G174-K177 WeakPolarHBondContact O-CB 3.41Å; G174-K177 PolarHBondContact O-N 3.36Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.41Å; K177-L180 CarbonylContact O-C 3.42Å; K177-L180 PolarHBondContact O-N 3.21Å; K177-E181 WeakPolarHBondContact O-CB 3.38Å; K177-E181 VanDerWaalsContact O-CG 3.32Å; K177-E181 WeakPolarHBondContact O-CG 3.47Å; K177-E181 PolarHBondContact O-N 3Å
178	E	88.1	Confident	85	Confident	146 Å²	146	75.9 Å²	75.9	68%	0.682	40%	0.401	S	S	*	.	H	α-helix	trans	-59.5	-39.3	179.3	-171.4	175.7	-177.5	0	0	112.1	G174 H175 L180	G174-E178 PolarHBondContact O-N 2.8Å; H175-E178 PolarHBondContact O-N 3.49Å; E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 3.34Å
179	L	89.2	Confident	84.5	Confident	27 Å²	27	76.1 Å²	76.1	14%	0.141	41%	0.409	C	S	.	.	H	α-helix	trans	-61.1	-40.9	174.8	175.4	64	0	0	0	112.9	E143 C146 R147 R157 H175 L176 K177	E143-L179 HydrophobicContact CG-CD2 3.64Å; C146-L179 HydrophobicContact CB-CD2 4.35Å; R147-L179 HydrophobicContact CG-CD1 4.06Å; R147-L179 HydrophobicContact CG-CD2 3.53Å; R147-L179 HydrophobicContact CG-CG 4.42Å; R157-L179 PolarHBondContact NH2-O 3.32Å; H175-L179 PolarHBondContact O-N 3.16Å; L176-L179 HydrophobicContact CD1-CB 4.44Å; L176-L179 HydrophobicContact CD1-CD2 3.9Å; L176-L179 PolarHBondContact O-N 2.94Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.41Å
180	L	89.8	Confident	83.9	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.005	41%	0.408	C	S	.	.	H	α-helix	trans	-90.3	-16	-173.4	-65.1	179	0	0	0	113.1	L134 A138 C146 L150 R157 P167 A171 L176 K177 E178	L134-L180 HydrophobicContact CD1-CD2 4.02Å; A138-L180 HydrophobicContact CB-CD1 3.51Å; C146-L180 HydrophobicContact CB-CD2 4.01Å; L150-L180 HydrophobicContact CD1-CD2 3.64Å; R157-L180 WeakPolarHBondContact CD-O 3.04Å; R157-L180 WeakPolarHBondContact CG-O 3.21Å; P167-L180 HydrophobicContact CB-CD1 4.22Å; A171-L180 HydrophobicContact CB-CD1 4.43Å; L176-L180 HydrophobicContact CD1-CD1 3.95Å; L176-L180 HydrophobicContact CD1-CG 4.01Å; L176-L180 HydrophobicContact CG-CD1 3.91Å; L176-L180 HydrophobicContact CG-CG 4.36Å; L176-L180 WeakPolarHBondContact O-CB 3.46Å; L176-L180 VanDerWaalsContact O-CG 3.3Å; L176-L180 WeakPolarHBondContact O-CG 3.2Å; L176-L180 PolarHBondContact O-N 3.43Å; L176-L180 VanDerWaalsContact O-N 3.1Å; K177-L180 CarbonylContact O-C 3.42Å; K177-L180 PolarHBondContact O-N 3.21Å; E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 3.34Å
181	E	85.9	Confident	83.3	Confident	82 Å²	82	78.1 Å²	78.1	38%	0.383	42%	0.424	S	S	.	.	S	Bend	trans	-63.3	139.6	179.5	-89.2	176.2	-163.6	0	0	111.3	R157 Y168 K177	R157-E181 PolarHBondContact NH1-O 3.3Å; Y168-E181 HydrophobicContact CD2-CG 3.9Å; Y168-E181 HydrophobicContact CE2-CG 4.44Å; Y168-E181 HydrophobicContact CG-CG 4.2Å; K177-E181 WeakPolarHBondContact O-CB 3.38Å; K177-E181 VanDerWaalsContact O-CG 3.32Å; K177-E181 WeakPolarHBondContact O-CG 3.47Å; K177-E181 PolarHBondContact O-N 3Å
182	P	77.4	Confident	82.7	Confident	69 Å²	69	84 Å²	84	45%	0.448	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-59	141.3	173.9	-19.2	30.6	0	0	0	111.1	Q184	P182-Q184 PolarHBondContact O-N 3.13Å
183	P	70.3	Confident	82.3	Confident	111 Å²	111	84.5 Å²	84.5	72%	0.721	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-59.7	137.9	170.6	25.7	-32.1	0	0	0	110.2
184	Q	60.5	Low	82.2	Confident	249 Å²	249	84.4 Å²	84.4	100%	1.164	45%	0.451	S	S	*	.			trans	-69.8	0	177.3	-62.6	-73.6	-48.2	0	0	112.1	P182	P182-Q184 PolarHBondContact O-N 3.13Å

Retrieved 184 of 184 residues in 748.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).