A0A096N4L6_PAPAN Loading...

Oligoribonuclease, mitochondrial

3'-to-5'exoribonuclease that preferentially degrades DNA and RNA oligonucleotides composed of only two nucleotides. Binds and degrades longer oligonucleotides with a lower affinity. Plays dual roles in mitochondria, scavenging nanoRNAs (small RNA oligonucleotides of <5 nucleotides) that are produced by the degradosome and clearing short RNAs that are generated by RNA processing. Essential for correct initiation of mitochondrial transcription, degrading mitochondrial RNA dinucleotides to prevent RNA-primed transcription at non-canonical sites in the mitochondrial genome. Essential for embryonic development.

AlphaFold DB (A0A2K5ZAG1), UniProt , Accession A0A096N4L6, Species PAPAN (Papio anubis, Olive baboon), Gene REXO2, Length 237 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	37.2	Very low	229 Å²	229	144.4 Å²	144.4	100%	1.128	87%	0.866	S	S	*	*				0	129.4	0	-88.2	-165.6	-115.6	0	0	108.3
2	L	36.4	Very low	36.9	Very low	165 Å²	165	153.3 Å²	153.3	86%	0.864	87%	0.873	S	S	*	*			trans	65.1	106.1	154.9	-58.2	155.3	0	0	0	115.1
3	G	32.6	Very low	36.6	Very low	80 Å²	80	147.3 Å²	147.3	83%	0.825	87%	0.866	S	S	*	*				79.8	116.3	63.2	0	0	0	0	0	107.5
4	G	36.5	Very low	37.3	Very low	82 Å²	82	148.1 Å²	148.1	85%	0.845	87%	0.872	S	S	*	*			cis	129.7	127.1	31.9	0	0	0	0	0	105.7
5	S	37.3	Very low	37.1	Very low	124 Å²	124	142.9 Å²	142.9	87%	0.867	86%	0.862	S	S	*	*			trans	-168.9	113.3	154.4	-170.5	0	0	0	0	110.8
6	L	42.1	Very low	37.3	Very low	179 Å²	179	138.8 Å²	138.8	94%	0.937	86%	0.858	S	S	*	*			trans	-74.8	147.7	160.8	-80.9	99.6	0	0	0	110.1
7	G	34	Very low	37.5	Very low	79 Å²	79	137.4 Å²	137.4	81%	0.814	86%	0.855	S	S	*	*			trans	-156.6	99.1	168.8	0	0	0	0	0	110.6
8	S	39.9	Very low	37.7	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	86%	0.859	S	S	*	*			trans	-68	145.8	178.1	53.9	0	0	0	0	114.4
9	R	38.3	Very low	37.7	Very low	241 Å²	241	139.2 Å²	139.2	91%	0.909	85%	0.847	S	S	*	*			trans	171.8	110.9	133.2	-96.3	168	-174.1	-163.1	2.9	109.3
10	L	34.5	Very low	38.1	Very low	152 Å²	152	144.7 Å²	144.7	80%	0.796	85%	0.852	S	S	*	*				90.5	102.2	85.4	-141.7	88.1	0	0	0	114
11	L	38.9	Very low	38.5	Very low	148 Å²	148	147.5 Å²	147.5	78%	0.775	85%	0.854	S	S	*	*			trans	38.9	118.4	141.9	-66.8	159.6	0	0	0	120.6
12	R	33.7	Very low	38.8	Very low	251 Å²	251	139.3 Å²	139.3	95%	0.947	83%	0.828	S	S	*	*				167.9	142.8	106.9	-93.4	179.5	-177.8	-141	0.3	111.3
13	G	33.1	Very low	39.6	Very low	76 Å²	76	137.3 Å²	137.3	78%	0.784	82%	0.823	S	S	*	*			trans	133.9	74.9	154.7	0	0	0	0	0	115.5	G15	G13-G15 PolarHBondContact O-N 3.27Å
14	V	46.7	Very low	40.4	Very low	158 Å²	158	143.2 Å²	143.2	96%	0.958	82%	0.821	S	S	*	*			trans	-71	108.3	159	176.2	0	0	0	0	107.1
15	G	34.7	Very low	40.8	Very low	70 Å²	70	141.8 Å²	141.8	72%	0.722	81%	0.806	S	S	*	*			trans	-129	92.8	172.9	0	0	0	0	0	109.2	G13 S17	G13-G15 PolarHBondContact O-N 3.27Å; G15-S17 PolarHBondContact O-N 3.14Å; G15-S17 VanDerWaalsContact O-N 3.14Å
16	G	40.6	Very low	41.6	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	80%	0.8	S	S	*	*			trans	-65.1	108.6	175.2	0	0	0	0	0	111	R18	G16-R18 PolarHBondContact O-N 2.97Å
17	S	39.3	Very low	42.3	Very low	116 Å²	116	143.5 Å²	143.5	81%	0.811	79%	0.794	S	S	*	*			trans	-78.3	97.4	161.2	61.1	0	0	0	0	107.9	G15 G19	G15-S17 PolarHBondContact O-N 3.14Å; G15-S17 VanDerWaalsContact O-N 3.14Å; S17-G19 PolarHBondContact O-N 3.22Å
18	R	42.1	Very low	43.5	Very low	247 Å²	247	145.9 Å²	145.9	93%	0.932	78%	0.784	S	S	*	*			trans	-55.8	106.6	162	-79.4	179.9	173.9	170.6	-2	107.5	G16 R20	G16-R18 PolarHBondContact O-N 2.97Å; R18-R20 PolarHBondContact O-N 3.1Å; R18-R20 VanDerWaalsContact O-N 3.1Å
19	G	37.9	Very low	44.7	Very low	61 Å²	61	142.5 Å²	142.5	63%	0.629	77%	0.766	S	S	*	*			trans	-54.3	116	169.4	0	0	0	0	0	108.7	S17 F21	S17-G19 PolarHBondContact O-N 3.22Å; G19-F21 VanDerWaalsContact C-N 3.26Å; G19-F21 PolarHBondContact O-N 3Å
20	R	44.8	Very low	46.2	Very low	249 Å²	249	133.1 Å²	133.1	94%	0.94	74%	0.744	S	S	*	*			trans	-68.7	89.3	172.4	-157.5	177	-170.4	-174.4	3	106.2	R18 G22	R18-R20 PolarHBondContact O-N 3.1Å; R18-R20 VanDerWaalsContact O-N 3.1Å; R20-G22 PolarHBondContact O-N 2.91Å
21	F	46.8	Very low	47.9	Very low	205 Å²	205	129 Å²	129	90%	0.899	73%	0.732	S	S	*	*			trans	-57.4	109.1	169	-96.2	-92.1	0	0	0	107.5	G19 T23	G19-F21 VanDerWaalsContact C-N 3.26Å; G19-F21 PolarHBondContact O-N 3Å; F21-T23 PolarHBondContact O-N 3.42Å
22	G	45.5	Very low	49.6	Very low	57 Å²	57	125.2 Å²	125.2	59%	0.588	72%	0.722	S	S	*	*			trans	-65.5	128.2	-176.6	0	0	0	0	0	110.8	R20 R24	R20-G22 PolarHBondContact O-N 2.91Å; G22-R24 PolarHBondContact O-N 2.92Å
23	T	51.4	Low	51.5	Low	122 Å²	122	119.2 Å²	119.2	75%	0.748	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	9.3	169.2	44.3	0	0	0	0	114.1	F21	F21-T23 PolarHBondContact O-N 3.42Å
24	R	51.3	Low	53.5	Low	205 Å²	205	118.4 Å²	118.4	77%	0.774	69%	0.692	S	S	*	*	H	α-helix	trans	-77.8	-39.8	-177.6	-130.2	173.6	-177.3	160.6	0.4	112.2	G22 V26 E28	G22-R24 PolarHBondContact O-N 2.92Å; R24-V26 PolarHBondContact O-N 3.49Å; R24-E28 PolarHBondContact O-N 3.47Å
25	G	44	Very low	55.1	Low	52 Å²	52	113.3 Å²	113.3	54%	0.536	67%	0.667	S	S	.	*	H	α-helix	trans	-72.4	-26.9	-175.9	0	0	0	0	0	115.7	G29	G25-G29 PolarHBondContact O-N 3.45Å
26	V	54.9	Low	57.3	Low	123 Å²	123	111.4 Å²	111.4	75%	0.745	65%	0.647	S	S	*	*	H	α-helix	trans	-77.4	-34.1	-179.8	-178.3	0	0	0	0	111.7	R24 G30	R24-V26 PolarHBondContact O-N 3.49Å; V26-G30 PolarHBondContact O-N 3.47Å
27	R	56.6	Low	59.4	Low	216 Å²	216	113.6 Å²	113.6	82%	0.815	64%	0.637	S	S	*	*	H	α-helix	trans	-73.1	-37.5	179.1	-81.8	-179.6	150.3	-167.8	-6.8	112.7	G30 A31	R27-G30 PolarHBondContact O-N 3.28Å; R27-A31 PolarHBondContact O-N 3.48Å
28	E	59.2	Low	61.8	Low	129 Å²	129	111.6 Å²	111.6	60%	0.603	62%	0.622	S	S	*	*	H	α-helix	trans	-68.1	-39.1	177.5	-75.7	172.6	176.8	0	0	112.2	R24 G30 A31 A32	R24-E28 PolarHBondContact O-N 3.47Å; E28-G30 PolarHBondContact O-N 3.01Å; E28-A31 PolarHBondContact O-N 3.38Å; E28-A32 PolarHBondContact O-N 3.45Å; E28-A32 VanDerWaalsContact O-N 3.16Å
29	G	65.5	Low	64.4	Low	38 Å²	38	103.3 Å²	103.3	39%	0.392	60%	0.595	S	S	.	*	H	α-helix	trans	-63.4	-37.9	174.2	0	0	0	0	0	113.5	G25 M33	G25-G29 PolarHBondContact O-N 3.45Å; G29-M33 WeakPolarHBondContact O-CB 3.4Å; G29-M33 WeakPolarHBondContact O-CG 3.19Å; G29-M33 PolarHBondContact O-N 3.36Å
30	G	68.6	Low	67.2	Low	43 Å²	43	101.7 Å²	101.7	44%	0.443	58%	0.576	S	S	.	*	H	α-helix	trans	-66.6	-40	177.4	0	0	0	0	0	113.7	V26 R27 E28 A34	V26-G30 PolarHBondContact O-N 3.47Å; R27-G30 PolarHBondContact O-N 3.28Å; E28-G30 PolarHBondContact O-N 3.01Å; G30-A34 WeakPolarHBondContact O-CB 3.38Å; G30-A34 PolarHBondContact O-N 3.16Å
31	A	71.2	Confident	69.7	Low	66 Å²	66	95.3 Å²	95.3	55%	0.545	56%	0.557	S	S	.	*	H	α-helix	trans	-68.7	-40.8	177.5	0	0	0	0	0	112.2	R27 E28 A34 A35	R27-A31 PolarHBondContact O-N 3.48Å; E28-A31 PolarHBondContact O-N 3.38Å; A31-A34 PolarHBondContact O-N 3.44Å; A31-A35 WeakPolarHBondContact O-CB 3.21Å; A31-A35 PolarHBondContact O-N 2.97Å
32	A	72.9	Confident	72.2	Confident	68 Å²	68	87.9 Å²	87.9	56%	0.562	52%	0.523	S	S	*	.	H	α-helix	trans	-65.9	-39.4	175.9	0	0	0	0	0	112.2	E28 G36	E28-A32 PolarHBondContact O-N 3.45Å; E28-A32 VanDerWaalsContact O-N 3.16Å; A32-G36 PolarHBondContact O-N 3.27Å
33	M	74.4	Confident	74.8	Confident	126 Å²	126	86.3 Å²	86.3	62%	0.621	50%	0.5	S	S	*	.	H	α-helix	trans	-63.1	-47.1	174.1	-75.8	-69	-67.2	0	0	111.8	G29 A35 G36 E37	G29-M33 WeakPolarHBondContact O-CB 3.4Å; G29-M33 WeakPolarHBondContact O-CG 3.19Å; G29-M33 PolarHBondContact O-N 3.36Å; M33-A35 PolarHBondContact O-N 3.45Å; M33-G36 PolarHBondContact O-N 3.03Å; M33-E37 PolarHBondContact O-N 3.46Å
34	A	76.1	Confident	77	Confident	58 Å²	58	80.5 Å²	80.5	48%	0.479	47%	0.465	S	S	.	.	H	α-helix	trans	-63.5	-41.1	178.3	0	0	0	0	0	112.5	G30 A31 S38	G30-A34 WeakPolarHBondContact O-CB 3.38Å; G30-A34 PolarHBondContact O-N 3.16Å; A31-A34 PolarHBondContact O-N 3.44Å; A34-S38 WeakPolarHBondContact O-CB 3.39Å; A34-S38 PolarHBondContact O-N 3.28Å
35	A	79.4	Confident	79.3	Confident	52 Å²	52	70.7 Å²	70.7	43%	0.43	43%	0.428	S	S	.	.	H	α-helix	trans	-64.3	-41.5	173.7	0	0	0	0	0	111.6	A31 M33 S38 M39	A31-A35 WeakPolarHBondContact O-CB 3.21Å; A31-A35 PolarHBondContact O-N 2.97Å; M33-A35 PolarHBondContact O-N 3.45Å; A35-S38 PolarHBondContact O-N 3.07Å; A35-M39 WeakPolarHBondContact O-CG 3.38Å; A35-M39 PolarHBondContact O-N 2.99Å
36	G	80.3	Confident	81.9	Confident	29 Å²	29	68.3 Å²	68.3	30%	0.299	40%	0.403	S	S	.	.	H	α-helix	trans	-62.2	-45.2	175.7	0	0	0	0	0	113	A32 M33 M39 A40	A32-G36 PolarHBondContact O-N 3.27Å; M33-G36 PolarHBondContact O-N 3.03Å; G36-M39 PolarHBondContact O-N 3.04Å; G36-A40 WeakPolarHBondContact O-CB 3.26Å; G36-A40 PolarHBondContact O-N 3.05Å
37	E	84.8	Confident	84	Confident	124 Å²	124	63.5 Å²	63.5	58%	0.579	37%	0.373	S	S	*	.	H	α-helix	trans	-62	-42	175.4	-77.5	-174.5	166.1	0	0	112	M33 A40 Q41	M33-E37 PolarHBondContact O-N 3.46Å; E37-A40 PolarHBondContact O-N 2.93Å; E37-Q41 WeakPolarHBondContact O-CG 3.39Å; E37-Q41 PolarHBondContact O-N 3.28Å
38	S	91.3	Very high	86	Confident	73 Å²	73	53.6 Å²	53.6	51%	0.51	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-43.7	175.8	175.9	0	0	0	0	112	A34 A35 A40 Q41	A34-S38 WeakPolarHBondContact O-CB 3.39Å; A34-S38 PolarHBondContact O-N 3.28Å; A35-S38 PolarHBondContact O-N 3.07Å; S38-A40 PolarHBondContact O-N 3.45Å; S38-Q41 PolarHBondContact O-N 3.43Å
39	M	95.2	Very high	87.8	Confident	73 Å²	73	48.4 Å²	48.4	36%	0.36	31%	0.312	S	S	.	.	H	α-helix	trans	-67.4	-35	178.2	-69.6	-163.3	-54.2	0	0	112.8	A35 G36 Q41 R42 P133 C137	A35-M39 WeakPolarHBondContact O-CG 3.38Å; A35-M39 PolarHBondContact O-N 2.99Å; G36-M39 PolarHBondContact O-N 3.04Å; M39-Q41 PolarHBondContact O-N 2.85Å; M39-R42 WeakPolarHBondContact O-CB 3.34Å; M39-R42 WeakPolarHBondContact O-CG 3.47Å; M39-R42 PolarHBondContact O-N 2.83Å; M39-R42 VanDerWaalsContact O-N 3.12Å; M39-P133 HydrophobicContact CB-CG 4.23Å; M39-C137 PolarHBondContact O-SG 3.48Å
40	A	97.1	Very high	89.4	Confident	28 Å²	28	47.6 Å²	47.6	23%	0.231	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-19.5	177.7	0	0	0	0	0	113.4	G36 E37 S38 P133 L136	G36-A40 WeakPolarHBondContact O-CB 3.26Å; G36-A40 PolarHBondContact O-N 3.05Å; E37-A40 PolarHBondContact O-N 2.93Å; S38-A40 PolarHBondContact O-N 3.45Å; A40-P133 HydrophobicContact CB-CG 4.42Å; A40-L136 HydrophobicContact CB-CB 4.07Å; A40-L136 HydrophobicContact CB-CD1 3.8Å
41	Q	98.2	Very high	90.8	Very high	114 Å²	114	45.6 Å²	45.6	53%	0.533	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0.5	176.7	-63.6	-179.7	22.6	0	0	113.8	E37 S38 M39	E37-Q41 WeakPolarHBondContact O-CG 3.39Å; E37-Q41 PolarHBondContact O-N 3.28Å; S38-Q41 PolarHBondContact O-N 3.43Å; M39-Q41 PolarHBondContact O-N 2.85Å
42	R	98.8	Very high	92.1	Very high	49 Å²	49	43 Å²	43	19%	0.185	26%	0.257	C	S	.	.			trans	-65	156.1	172.9	-69	176	177.9	-168.7	-5.8	111.1	M39 I67 T68 L75 Q131 T132 C137	M39-R42 WeakPolarHBondContact O-CB 3.34Å; M39-R42 WeakPolarHBondContact O-CG 3.47Å; M39-R42 PolarHBondContact O-N 2.83Å; M39-R42 VanDerWaalsContact O-N 3.12Å; R42-I67 HydrophobicContact CB-CG2 4.36Å; R42-T68 VanDerWaalsContact CA-O 3.29Å; R42-T68 WeakPolarHBondContact CA-O 3.43Å; R42-T68 WeakPolarHBondContact CB-O 3.44Å; R42-L75 HydrophobicContact CG-CD1 4.05Å; R42-L75 VanDerWaalsContact NE-CD1 3.3Å; R42-Q131 WeakPolarHBondContact CD-O 3.17Å; R42-Q131 PolarHBondContact NH1-O 3.15Å; R42-T132 HydrophobicContact CB-CG2 4.38Å; R42-C137 WeakPolarHBondContact O-CB 3.29Å; R42-C137 PolarHBondContact O-SG 2.75Å; R42-C137 VanDerWaalsContact O-SG 3.38Å
43	M	98.9	Very high	93.2	Very high	24 Å²	24	45.8 Å²	45.8	12%	0.118	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.9	178.6	-51.7	-179	-172.5	0	0	109.5	W45 T68 L72 A140 I167	M43-W45 HydrophobicContact SD-CZ2 4.26Å; M43-T68 PolarHBondContact N-O 2.97Å; M43-T68 PolarHBondContact O-N 3.49Å; M43-T68 VanDerWaalsContact O-N 3.17Å; M43-L72 HydrophobicContact CE-CD2 4.14Å; M43-L72 HydrophobicContact SD-CD2 3.84Å; M43-A140 HydrophobicContact CB-CB 4.09Å; M43-I167 HydrophobicContact CE-CD1 3.68Å; M43-I167 HydrophobicContact CG-CD1 3.73Å; M43-I167 HydrophobicContact SD-CD1 3.49Å; M43-I167 WeakPolarHBondContact SD-CD1 3.43Å
44	V	98.9	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	98.9	175.6	-175.6	0	0	0	0	108.2	V46 I67 V128 T132 C137 P138 L139 A140 F158 L162	V44-V46 HydrophobicContact CG1-CG2 4.24Å; V44-I67 HydrophobicContact CB-CD1 4.23Å; V44-I67 HydrophobicContact CG1-CD1 4.07Å; V44-I67 HydrophobicContact CG2-CD1 3.84Å; V44-V128 HydrophobicContact CG1-CG1 3.91Å; V44-T132 HydrophobicContact CG2-CG2 3.83Å; V44-C137 HydrophobicContact CG2-CB 4.01Å; V44-P138 PolarHBondContact N-O 3.07Å; V44-L139 CarbonylContact O-C 3.48Å; V44-L139 WeakPolarHBondContact O-CA 3.44Å; V44-A140 PolarHBondContact O-N 3.43Å; V44-F158 HydrophobicContact CG1-CZ 4.17Å; V44-L162 HydrophobicContact CB-CD1 4.43Å; V44-L162 HydrophobicContact CB-CD2 4.12Å; V44-L162 HydrophobicContact CG1-CD1 4.26Å; V44-L162 HydrophobicContact CG1-CD2 4.2Å; V44-L162 HydrophobicContact CG2-CD2 3.66Å
45	W	98.9	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.3	-179.8	-67.8	78.5	0	0	0	110.1	M43 C65 L66 T68 L72 A140 V169 I200 I204 L207	M43-W45 HydrophobicContact SD-CZ2 4.26Å; W45-C65 CarbonylContact O-C 3.51Å; W45-C65 VanDerWaalsContact O-CA 3.22Å; W45-C65 WeakPolarHBondContact O-CA 3.44Å; W45-C65 PolarHBondContact O-SG 2.95Å; W45-L66 HydrophobicContact CB-CB 4.14Å; W45-L66 PolarHBondContact N-O 2.87Å; W45-L66 PolarHBondContact O-N 2.94Å; W45-T68 PolarHBondContact NE1-OG1 3.45Å; W45-L72 HydrophobicContact CZ2-CD2 3.9Å; W45-A140 VanDerWaalsContact CA-O 3.28Å; W45-A140 WeakPolarHBondContact CA-O 3.09Å; W45-A140 HydrophobicContact CD2-CB 3.71Å; W45-A140 HydrophobicContact CE3-CB 4.1Å; W45-A140 HydrophobicContact CG-CB 4.02Å; W45-A140 HydrophobicContact CZ2-CB 4.14Å; W45-A140 HydrophobicContact CZ3-CB 4.49Å; W45-V169 HydrophobicContact CH2-CG2 3.81Å; W45-V169 HydrophobicContact CZ3-CG2 3.8Å; W45-I200 HydrophobicContact CB-CG2 3.66Å; W45-I200 HydrophobicContact CE3-CG2 4.32Å; W45-I200 HydrophobicContact CG-CG2 4.32Å; W45-I204 HydrophobicContact CD2-CD1 4.01Å; W45-I204 HydrophobicContact CD2-CG1 3.53Å; W45-I204 HydrophobicContact CE3-CD1 4.35Å; W45-I204 HydrophobicContact CE3-CG1 3.55Å; W45-I204 HydrophobicContact CG-CD1 4.17Å; W45-I204 HydrophobicContact CG-CG1 4.23Å; W45-I204 HydrophobicContact CH2-CB 4.39Å; W45-I204 HydrophobicContact CH2-CG1 3.79Å; W45-I204 HydrophobicContact CZ2-CG1 3.8Å; W45-I204 HydrophobicContact CZ3-CB 4.46Å; W45-I204 HydrophobicContact CZ3-CG1 3.67Å; W45-L207 HydrophobicContact CH2-CB 4.17Å; W45-L207 HydrophobicContact CH2-CD2 3.71Å; W45-L207 HydrophobicContact CZ2-CD2 3.95Å
46	V	98.8	Very high	96.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	145.1	179.3	175	0	0	0	0	108.6	V44 L48 M63 A64 C65 L139 A140 L151 F158	V44-V46 HydrophobicContact CG1-CG2 4.24Å; V46-L48 HydrophobicContact CG1-CD2 3.94Å; V46-L48 HydrophobicContact CG1-CG 4.26Å; V46-M63 HydrophobicContact CG1-CE 3.87Å; V46-M63 HydrophobicContact CG1-CG 4.37Å; V46-M63 HydrophobicContact CG2-CE 4.18Å; V46-A64 WeakPolarHBondContact CA-O 3.41Å; V46-C65 HydrophobicContact CG2-CB 4.38Å; V46-L139 HydrophobicContact CB-CD2 4.45Å; V46-A140 PolarHBondContact N-O 3.23Å; V46-A140 VanDerWaalsContact N-O 3.07Å; V46-L151 HydrophobicContact CG1-CD1 4.15Å; V46-F158 HydrophobicContact CG2-CE1 4.33Å; V46-F158 HydrophobicContact CG2-CZ 4.05Å
47	D	98.6	Very high	97	Very high	22 Å²	22	51 Å²	51	12%	0.118	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.7	166.7	-171.3	90.6	0	0	0	107.6	A64 A196 I200	D47-A64 PolarHBondContact O-N 3.32Å; D47-A196 HydrophobicContact CB-CB 4.21Å; D47-A196 WeakPolarHBondContact O-CB 3.47Å; D47-A196 WeakPolarHBondContact OD2-CA 3.23Å; D47-I200 HydrophobicContact CB-CD1 4.1Å; D47-I200 HydrophobicContact CB-CG1 3.49Å; D47-I200 VanDerWaalsContact CB-CG1 3.49Å
48	L	98.6	Very high	97.7	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.6	177.6	-56	-175.7	0	0	0	110.5	V46 M50 I60 E62 M63 D147 F150 L151	V46-L48 HydrophobicContact CG1-CD2 3.94Å; V46-L48 HydrophobicContact CG1-CG 4.26Å; L48-M50 HydrophobicContact CB-SD 3.44Å; L48-M50 WeakPolarHBondContact CB-SD 3.41Å; L48-M50 HydrophobicContact CD1-SD 4.38Å; L48-I60 HydrophobicContact CD1-CD1 4.02Å; L48-I60 HydrophobicContact CD1-CG1 4.21Å; L48-I60 HydrophobicContact CD1-CG2 4.39Å; L48-I60 HydrophobicContact CD2-CG2 4.04Å; L48-E62 WeakPolarHBondContact CA-O 3.28Å; L48-M63 HydrophobicContact CD2-CB 3.5Å; L48-M63 HydrophobicContact CD2-CG 3.34Å; L48-M63 HydrophobicContact CD2-SD 3.71Å; L48-D147 VanDerWaalsContact CB-OD1 3.25Å; L48-D147 WeakPolarHBondContact CB-OD1 3.48Å; L48-D147 HydrophobicContact CD1-CB 4.02Å; L48-D147 HydrophobicContact CG-CB 4.02Å; L48-D147 WeakPolarHBondContact CG-OD1 3.37Å; L48-D147 PolarHBondContact N-OD1 3.42Å; L48-D147 VanDerWaalsContact N-OD1 3.11Å; L48-F150 HydrophobicContact CD1-CB 4.04Å; L48-L151 HydrophobicContact CD1-CD1 4.49Å; L48-L151 HydrophobicContact CD1-CD2 4.13Å; L48-L151 HydrophobicContact CD1-CG 3.97Å; L48-L151 HydrophobicContact CD2-CD2 4.37Å
49	E	98.3	Very high	98	Very high	20 Å²	20	44.6 Å²	44.6	9%	0.093	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.9	157.6	-60.6	-66.3	167.9	0	0	108.5	I61 E62 H101 L106 H194	E49-I61 VanDerWaalsContact C-CG1 3.48Å; E49-I61 HydrophobicContact CB-CD1 4.37Å; E49-I61 HydrophobicContact CB-CG1 3.99Å; E49-I61 WeakPolarHBondContact O-CG1 3.45Å; E49-I61 PolarHBondContact O-N 2.76Å; E49-E62 HydrophobicContact CB-CB 3.83Å; E49-E62 HydrophobicContact CG-CB 4.08Å; E49-E62 PolarHBondContact N-O 3.48Å; E49-E62 PolarHBondContact O-N 3.29Å; E49-H101 IonicContact OE2-CE1 2.81Å; E49-H101 PolarHBondContact OE2-CE1 3.01Å; E49-L106 HydrophobicContact CB-CD2 3.59Å; E49-L106 HydrophobicContact CG-CD2 3.87Å; E49-H194 WeakPolarHBondContact OE1-CA 3.07Å
50	M	98.4	Very high	98.2	Very high	20 Å²	20	41.2 Å²	41.2	10%	0.099	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	162.3	179.3	-60.7	84.6	72.4	0	0	111.2	L48 G52 L53 Q59 H101 F150	L48-M50 HydrophobicContact CB-SD 3.44Å; L48-M50 WeakPolarHBondContact CB-SD 3.41Å; L48-M50 HydrophobicContact CD1-SD 4.38Å; M50-G52 WeakPolarHBondContact CB-O 3.41Å; M50-G52 PolarHBondContact O-N 3.23Å; M50-L53 HydrophobicContact CE-CD2 4.24Å; M50-Q59 VanDerWaalsContact CA-O 3.3Å; M50-Q59 WeakPolarHBondContact CA-O 3.16Å; M50-H101 PolarHBondContact O-NE2 3.48Å; M50-F150 HydrophobicContact CB-CE1 4.27Å; M50-F150 HydrophobicContact CB-CZ 4.31Å; M50-F150 HydrophobicContact CE-CD2 4.1Å; M50-F150 HydrophobicContact CE-CE2 3.97Å; M50-F150 HydrophobicContact CG-CD1 3.88Å; M50-F150 HydrophobicContact CG-CD2 4.24Å; M50-F150 HydrophobicContact CG-CE1 3.85Å; M50-F150 HydrophobicContact CG-CE2 4.22Å; M50-F150 HydrophobicContact CG-CG 4.08Å; M50-F150 HydrophobicContact CG-CZ 4.03Å
51	T	98.3	Very high	98.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.194	C	C	.	.	S	Bend	trans	-69.1	-12.6	172.6	60.4	0	0	0	0	113.6	D58 Q59 I61 L89 L90 M93 C97	T51-D58 VanDerWaalsContact C-OD1 3.22Å; T51-D58 WeakPolarHBondContact OG1-CA 3.38Å; T51-D58 VanDerWaalsContact OG1-CB 3.29Å; T51-D58 WeakPolarHBondContact OG1-CB 3.48Å; T51-D58 PolarHBondContact OG1-OD1 2.61Å; T51-Q59 PolarHBondContact N-O 3.02Å; T51-Q59 PolarHBondContact OG1-N 3.21Å; T51-I61 HydrophobicContact CG2-CG2 3.58Å; T51-L89 HydrophobicContact CG2-CD2 3.87Å; T51-L89 HydrophobicContact CG2-CG 4.07Å; T51-L90 HydrophobicContact CG2-CD2 4.2Å; T51-M93 HydrophobicContact CG2-CG 4.34Å; T51-M93 HydrophobicContact CG2-SD 3.95Å; T51-M93 WeakPolarHBondContact O-CG 3.45Å; T51-C97 PolarHBondContact O-SG 2.86Å
52	G	97.6	Very high	98.3	Very high	11 Å²	11	34.5 Å²	34.5	11%	0.113	17%	0.169	C	C	.	.			trans	168.8	-162.5	-179.8	0	0	0	0	0	111.8	M50 D58	M50-G52 WeakPolarHBondContact CB-O 3.41Å; M50-G52 PolarHBondContact O-N 3.23Å; G52-D58 VanDerWaalsContact C-CG 3.42Å; G52-D58 WeakPolarHBondContact CA-OD1 3.35Å; G52-D58 WeakPolarHBondContact CA-OD2 3.4Å; G52-D58 VanDerWaalsContact N-CG 3.31Å; G52-D58 PolarHBondContact N-OD1 2.85Å
53	L	96.8	Very high	98.3	Very high	127 Å²	127	32.2 Å²	32.2	67%	0.665	16%	0.16	S	C	*	.	S	Bend	trans	-113.5	-0.3	-173.9	-61.5	179.2	0	0	0	113.8	M50 I55 D58	M50-L53 HydrophobicContact CE-CD2 4.24Å; L53-I55 PolarHBondContact O-N 3.27Å; L53-D58 PolarHBondContact N-OD2 3.47Å
54	D	97.8	Very high	98.3	Very high	62 Å²	62	31 Å²	31	33%	0.332	15%	0.154	S	C	.	.			trans	-85	100.2	176.5	-175.8	-12.6	0	0	0	109.8	E56 K57 D58	D54-E56 PolarHBondContact O-N 3.16Å; D54-E56 PolarHBondContact OD1-N 3.27Å; D54-K57 HydrophobicContact CB-CB 4.43Å; D54-K57 PolarHBondContact O-N 2.98Å; D54-K57 IonicContact OD2-NZ 3.66Å; D54-K57 PolarHBondContact OD2-NZ 2.92Å; D54-D58 WeakPolarHBondContact CA-OD2 3.38Å; D54-D58 WeakPolarHBondContact CB-OD2 3.44Å; D54-D58 PolarHBondContact N-OD2 2.85Å; D54-D58 WeakPolarHBondContact O-CB 3.42Å; D54-D58 PolarHBondContact O-N 3.13Å
55	I	97.8	Very high	98.3	Very high	35 Å²	35	31.1 Å²	31.1	18%	0.179	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22	-177.7	-167.1	59.2	0	0	0	114	L53 K149 F150 K153 Y154	L53-I55 PolarHBondContact O-N 3.27Å; I55-K149 HydrophobicContact CB-CD 4.16Å; I55-K149 HydrophobicContact CD1-CD 4.44Å; I55-K149 HydrophobicContact CD1-CG 4.05Å; I55-K149 HydrophobicContact CG1-CD 4.25Å; I55-K149 HydrophobicContact CG1-CG 4.06Å; I55-F150 HydrophobicContact CD1-CB 4.39Å; I55-F150 HydrophobicContact CD1-CD1 3.93Å; I55-F150 HydrophobicContact CD1-CD2 3.88Å; I55-F150 HydrophobicContact CD1-CE1 4.12Å; I55-F150 HydrophobicContact CD1-CE2 4.07Å; I55-F150 HydrophobicContact CD1-CG 3.8Å; I55-F150 HydrophobicContact CD1-CZ 4.19Å; I55-K153 HydrophobicContact CD1-CB 4.31Å; I55-K153 HydrophobicContact CD1-CD 3.97Å; I55-K153 HydrophobicContact CG1-CD 3.77Å; I55-K153 PolarHBondContact O-NZ 2.87Å; I55-Y154 HydrophobicContact CD1-CE2 4.01Å; I55-Y154 PolarHBondContact O-OH 3.35Å; I55-Y154 VanDerWaalsContact O-OH 3.1Å
56	E	97.4	Very high	98.2	Very high	135 Å²	135	31.1 Å²	31.1	63%	0.631	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.2	179.1	-63.5	-50.7	127.8	0	0	114	D54 K153	D54-E56 PolarHBondContact O-N 3.16Å; D54-E56 PolarHBondContact OD1-N 3.27Å; E56-K153 IonicContact OE1-NZ 3.33Å; E56-K153 PolarHBondContact OE1-NZ 3.4Å; E56-K153 IonicContact OE2-NZ 2.69Å; E56-K153 PolarHBondContact OE2-NZ 2.98Å
57	K	96.6	Very high	98.2	Very high	143 Å²	143	31 Å²	31	62%	0.622	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122	-45.7	-177.4	-58.1	-171.2	-170.3	106.7	0	112.4	D54 Q59	D54-K57 HydrophobicContact CB-CB 4.43Å; D54-K57 PolarHBondContact O-N 2.98Å; D54-K57 IonicContact OD2-NZ 3.66Å; D54-K57 PolarHBondContact OD2-NZ 2.92Å; K57-Q59 PolarHBondContact O-NE2 3.38Å
58	D	98.6	Very high	98.3	Very high	23 Å²	23	30 Å²	30	12%	0.123	15%	0.149	C	C	.	.			trans	-74.5	152.9	-171.5	-70.7	-54.2	0	0	0	112.6	T51 G52 L53 D54 F150 Y154	T51-D58 VanDerWaalsContact C-OD1 3.22Å; T51-D58 WeakPolarHBondContact OG1-CA 3.38Å; T51-D58 VanDerWaalsContact OG1-CB 3.29Å; T51-D58 WeakPolarHBondContact OG1-CB 3.48Å; T51-D58 PolarHBondContact OG1-OD1 2.61Å; G52-D58 VanDerWaalsContact C-CG 3.42Å; G52-D58 WeakPolarHBondContact CA-OD1 3.35Å; G52-D58 WeakPolarHBondContact CA-OD2 3.4Å; G52-D58 VanDerWaalsContact N-CG 3.31Å; G52-D58 PolarHBondContact N-OD1 2.85Å; L53-D58 PolarHBondContact N-OD2 3.47Å; D54-D58 WeakPolarHBondContact CA-OD2 3.38Å; D54-D58 WeakPolarHBondContact CB-OD2 3.44Å; D54-D58 PolarHBondContact N-OD2 2.85Å; D54-D58 WeakPolarHBondContact O-CB 3.42Å; D54-D58 PolarHBondContact O-N 3.13Å; D58-F150 HydrophobicContact CB-CE1 4.02Å; D58-F150 HydrophobicContact CB-CZ 4Å; D58-F150 WeakPolarHBondContact O-CE1 3.36Å; D58-Y154 PolarHBondContact O-OH 2.73Å
59	Q	98.7	Very high	98.3	Very high	40 Å²	40	31.3 Å²	31.3	19%	0.187	16%	0.156	C	C	.	.			trans	-128.7	157.7	-175.7	-54.4	-61	-48.4	0	0	111.5	M50 T51 K57 Q85 L89 Y154	M50-Q59 VanDerWaalsContact CA-O 3.3Å; M50-Q59 WeakPolarHBondContact CA-O 3.16Å; T51-Q59 PolarHBondContact N-O 3.02Å; T51-Q59 PolarHBondContact OG1-N 3.21Å; K57-Q59 PolarHBondContact O-NE2 3.38Å; Q59-Q85 HydrophobicContact CB-CG 4.24Å; Q59-Q85 VanDerWaalsContact CB-NE2 3.34Å; Q59-L89 HydrophobicContact CB-CD2 3.76Å; Q59-L89 HydrophobicContact CG-CD2 3.37Å; Q59-Y154 PolarHBondContact NE2-OH 3.19Å
60	I	98.8	Very high	98.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	133.2	173.7	-50.8	173.6	0	0	0	109	L48 I83 Q85 L117 F150 L151 Y154 M155	L48-I60 HydrophobicContact CD1-CD1 4.02Å; L48-I60 HydrophobicContact CD1-CG1 4.21Å; L48-I60 HydrophobicContact CD1-CG2 4.39Å; L48-I60 HydrophobicContact CD2-CG2 4.04Å; I60-I83 HydrophobicContact CB-CD1 4.33Å; I60-I83 HydrophobicContact CG2-CD1 3.91Å; I60-Q85 PolarHBondContact O-NE2 3.39Å; I60-L117 HydrophobicContact CD1-CD1 4.35Å; I60-F150 HydrophobicContact CD1-CB 4.22Å; I60-F150 HydrophobicContact CG1-CB 4.17Å; I60-F150 HydrophobicContact CG1-CD1 4.11Å; I60-L151 HydrophobicContact CD1-CD2 4.44Å; I60-Y154 HydrophobicContact CD1-CD2 4.48Å; I60-Y154 HydrophobicContact CG1-CD2 4.44Å; I60-M155 HydrophobicContact CD1-CE 4.32Å; I60-M155 HydrophobicContact CD1-CG 4.47Å
61	I	98.6	Very high	98.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-25.5	-179.3	51.8	169.8	0	0	0	114	E49 T51 I82 I83 Q85 L90 L106 V110	E49-I61 VanDerWaalsContact C-CG1 3.48Å; E49-I61 HydrophobicContact CB-CD1 4.37Å; E49-I61 HydrophobicContact CB-CG1 3.99Å; E49-I61 WeakPolarHBondContact O-CG1 3.45Å; E49-I61 PolarHBondContact O-N 2.76Å; T51-I61 HydrophobicContact CG2-CG2 3.58Å; I61-I82 CarbonylContact O-C 3.56Å; I61-I82 WeakPolarHBondContact O-CA 3.47Å; I61-I83 PolarHBondContact O-N 3.42Å; I61-Q85 HydrophobicContact CG2-CB 4.38Å; I61-Q85 HydrophobicContact CG2-CG 3.6Å; I61-L90 HydrophobicContact CG2-CD2 4.39Å; I61-L106 HydrophobicContact CD1-CD2 3.68Å; I61-L106 HydrophobicContact CD1-CG 4.18Å; I61-L106 HydrophobicContact CG1-CD2 4.11Å; I61-V110 HydrophobicContact CB-CG2 3.73Å; I61-V110 HydrophobicContact CG2-CG1 4.26Å; I61-V110 HydrophobicContact CG2-CG2 4.06Å
62	E	98.8	Very high	98.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.2	168.2	-162.9	168.8	-137.8	0	0	109	L48 E49 L81 I82 L106 R195 A196	L48-E62 WeakPolarHBondContact CA-O 3.28Å; E49-E62 HydrophobicContact CB-CB 3.83Å; E49-E62 HydrophobicContact CG-CB 4.08Å; E49-E62 PolarHBondContact N-O 3.48Å; E49-E62 PolarHBondContact O-N 3.29Å; E62-L81 WeakPolarHBondContact CA-O 3.43Å; E62-I82 HydrophobicContact CG-CG1 4.02Å; E62-L106 HydrophobicContact CB-CD1 3.96Å; E62-L106 HydrophobicContact CB-CD2 4.2Å; E62-L106 HydrophobicContact CG-CD1 4.38Å; E62-R195 IonicContact OE1-CZ 3.68Å; E62-R195 VanDerWaalsContact OE1-CZ 3.3Å; E62-R195 IonicContact OE1-NE 3.03Å; E62-R195 PolarHBondContact OE1-NE 3.04Å; E62-R195 IonicContact OE1-NH2 2.82Å; E62-R195 PolarHBondContact OE1-NH2 3.04Å; E62-R195 IonicContact OE2-NE 2.58Å; E62-R195 PolarHBondContact OE2-NE 3.22Å; E62-A196 HydrophobicContact CG-CB 4.16Å; E62-A196 PolarHBondContact OE2-N 3.06Å
63	M	98.8	Very high	98.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136.1	172	177.7	170.8	177.4	0	0	109	V46 L48 N80 L81 F124 L151 M155 F158	V46-M63 HydrophobicContact CG1-CE 3.87Å; V46-M63 HydrophobicContact CG1-CG 4.37Å; V46-M63 HydrophobicContact CG2-CE 4.18Å; L48-M63 HydrophobicContact CD2-CB 3.5Å; L48-M63 HydrophobicContact CD2-CG 3.34Å; L48-M63 HydrophobicContact CD2-SD 3.71Å; M63-N80 WeakPolarHBondContact O-CA 3.36Å; M63-L81 PolarHBondContact N-O 2.99Å; M63-L81 PolarHBondContact O-N 2.94Å; M63-F124 HydrophobicContact CB-CE2 3.71Å; M63-F124 HydrophobicContact CB-CZ 3.82Å; M63-F124 HydrophobicContact CE-CB 4.18Å; M63-F124 HydrophobicContact CE-CD1 3.93Å; M63-F124 HydrophobicContact CE-CD2 3.86Å; M63-F124 HydrophobicContact CE-CE1 4.32Å; M63-F124 HydrophobicContact CE-CE2 4.29Å; M63-F124 HydrophobicContact CE-CG 3.71Å; M63-F124 HydrophobicContact CG-CD2 4.05Å; M63-F124 HydrophobicContact CG-CE1 4Å; M63-F124 HydrophobicContact CG-CE2 3.52Å; M63-F124 HydrophobicContact CG-CZ 3.52Å; M63-F124 VanDerWaalsContact O-CZ 3.27Å; M63-F124 WeakPolarHBondContact O-CZ 3.49Å; M63-F124 HydrophobicContact SD-CD1 4.44Å; M63-F124 HydrophobicContact SD-CD2 3.47Å; M63-F124 WeakPolarHBondContact SD-CD2 3.3Å; M63-F124 HydrophobicContact SD-CE1 4.47Å; M63-F124 HydrophobicContact SD-CE2 3.55Å; M63-F124 VanDerWaalsContact SD-CE2 3.55Å; M63-F124 HydrophobicContact SD-CG 3.99Å; M63-F124 HydrophobicContact SD-CZ 4.09Å; M63-L151 HydrophobicContact CE-CD2 3.97Å; M63-L151 HydrophobicContact SD-CD2 4Å; M63-M155 HydrophobicContact CE-SD 4.36Å; M63-M155 HydrophobicContact SD-CE 3.8Å; M63-M155 HydrophobicContact SD-SD 3.6Å; M63-F158 HydrophobicContact CE-CD1 4.49Å; M63-F158 HydrophobicContact CE-CE1 4.02Å; M63-F158 HydrophobicContact CE-CE2 4.27Å; M63-F158 HydrophobicContact CE-CZ 3.9Å
64	A	98.8	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.8	167.2	0	0	0	0	0	110.5	V46 D47 N80 A196 L197 I200	V46-A64 WeakPolarHBondContact CA-O 3.41Å; D47-A64 PolarHBondContact O-N 3.32Å; A64-N80 HydrophobicContact CB-CB 4.32Å; A64-A196 HydrophobicContact CB-CB 3.57Å; A64-L197 HydrophobicContact CB-CB 3.96Å; A64-L197 HydrophobicContact CB-CD1 4.42Å; A64-I200 HydrophobicContact CB-CD1 3.74Å
65	C	98.7	Very high	98.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134.8	176	-173.7	0	0	0	0	112.1	W45 V46 G78 P79 F124 F127	W45-C65 CarbonylContact O-C 3.51Å; W45-C65 VanDerWaalsContact O-CA 3.22Å; W45-C65 WeakPolarHBondContact O-CA 3.44Å; W45-C65 PolarHBondContact O-SG 2.95Å; V46-C65 HydrophobicContact CG2-CB 4.38Å; C65-G78 VanDerWaalsContact O-CA 3.22Å; C65-G78 WeakPolarHBondContact O-CA 3.48Å; C65-G78 PolarHBondContact O-N 3.33Å; C65-P79 PolarHBondContact N-O 3.04Å; C65-F124 HydrophobicContact CB-CD1 3.63Å; C65-F124 HydrophobicContact CB-CE1 3.67Å; C65-F127 HydrophobicContact CB-CE1 4.4Å
66	L	98.8	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	153.6	172	-64.5	-174.2	0	0	0	110.6	W45 I74 E77 L197 I200 I204	W45-L66 HydrophobicContact CB-CB 4.14Å; W45-L66 PolarHBondContact N-O 2.87Å; W45-L66 PolarHBondContact O-N 2.94Å; L66-I74 HydrophobicContact CD1-CD1 4.29Å; L66-E77 VanDerWaalsContact CD2-CA 3.44Å; L66-E77 HydrophobicContact CD2-CB 3.62Å; L66-E77 HydrophobicContact CD2-CG 3.57Å; L66-L197 HydrophobicContact CD1-CD1 4.08Å; L66-L197 HydrophobicContact CD2-CD1 3.74Å; L66-L197 HydrophobicContact CG-CD1 3.92Å; L66-I200 HydrophobicContact CB-CG2 4.18Å; L66-I200 HydrophobicContact CD1-CB 4.39Å; L66-I200 HydrophobicContact CD1-CG2 3.62Å; L66-I200 HydrophobicContact CG-CG2 3.97Å; L66-I204 HydrophobicContact CD1-CD1 4.17Å
67	I	98.8	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.2	172.6	-54.5	-64.2	0	0	0	109.1	R42 V44 L75 A76 F127 V128 Q131 T132	R42-I67 HydrophobicContact CB-CG2 4.36Å; V44-I67 HydrophobicContact CB-CD1 4.23Å; V44-I67 HydrophobicContact CG1-CD1 4.07Å; V44-I67 HydrophobicContact CG2-CD1 3.84Å; I67-L75 HydrophobicContact CG2-CB 4.45Å; I67-L75 HydrophobicContact CG2-CD1 4.37Å; I67-L75 PolarHBondContact O-N 2.99Å; I67-A76 HydrophobicContact CB-CB 4.41Å; I67-A76 PolarHBondContact N-O 3.39Å; I67-A76 PolarHBondContact O-N 3.05Å; I67-F127 HydrophobicContact CD1-CE1 4.07Å; I67-F127 HydrophobicContact CG1-CE1 3.66Å; I67-F127 HydrophobicContact CG1-CZ 3.69Å; I67-V128 HydrophobicContact CD1-CG1 4.41Å; I67-Q131 HydrophobicContact CB-CB 4.49Å; I67-Q131 HydrophobicContact CD1-CB 4.24Å; I67-Q131 HydrophobicContact CG1-CB 3.76Å; I67-Q131 HydrophobicContact CG1-CG 4.03Å; I67-Q131 HydrophobicContact CG2-CB 4.32Å; I67-T132 HydrophobicContact CD1-CG2 4.17Å
68	T	98.9	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	157.9	168.8	71.7	0	0	0	0	111.5	R42 M43 W45 N73 I74 I204	R42-T68 VanDerWaalsContact CA-O 3.29Å; R42-T68 WeakPolarHBondContact CA-O 3.43Å; R42-T68 WeakPolarHBondContact CB-O 3.44Å; M43-T68 PolarHBondContact N-O 2.97Å; M43-T68 PolarHBondContact O-N 3.49Å; M43-T68 VanDerWaalsContact O-N 3.17Å; W45-T68 PolarHBondContact NE1-OG1 3.45Å; T68-N73 CarbonylContact C-O 3.57Å; T68-N73 WeakPolarHBondContact CA-O 3.38Å; T68-N73 WeakPolarHBondContact CB-O 3.47Å; T68-I74 HydrophobicContact CG2-CG1 4.2Å; T68-I204 HydrophobicContact CG2-CD1 3.91Å
69	D	98.6	Very high	98.4	Very high	37 Å²	37	31.4 Å²	31.4	20%	0.198	17%	0.173	C	C	.	.			trans	-71.7	-177.6	160.6	68.2	14.4	0	0	0	111.5	D71 L72 N73 L75	D69-D71 PolarHBondContact O-N 3.12Å; D69-D71 VanDerWaalsContact OD1-CA 3.29Å; D69-D71 WeakPolarHBondContact OD1-CA 3.22Å; D69-D71 WeakPolarHBondContact OD1-CB 3.47Å; D69-D71 PolarHBondContact OD1-N 3.19Å; D69-L72 PolarHBondContact O-N 3.27Å; D69-L72 PolarHBondContact OD1-N 2.79Å; D69-L72 VanDerWaalsContact OD1-N 3.09Å; D69-N73 PolarHBondContact N-O 2.73Å; D69-N73 PolarHBondContact OD1-N 2.85Å; D69-N73 PolarHBondContact OD1-ND2 3Å; D69-N73 WeakPolarHBondContact OD2-CB 3.27Å; D69-N73 PolarHBondContact OD2-ND2 3.38Å; D69-L75 HydrophobicContact CB-CD1 4.02Å; D69-L75 HydrophobicContact CB-CD2 4.21Å; D69-L75 HydrophobicContact CB-CG 4.27Å
70	S	98.1	Very high	98.4	Very high	48 Å²	48	32.4 Å²	32.4	34%	0.336	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.3	177.1	55	0	0	0	0	114
71	D	97.6	Very high	98.4	Very high	68 Å²	68	33.3 Å²	33.3	36%	0.364	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	7.3	-176.8	-76.4	-47.8	0	0	0	113.6	D69 N73 R211	D69-D71 PolarHBondContact O-N 3.12Å; D69-D71 VanDerWaalsContact OD1-CA 3.29Å; D69-D71 WeakPolarHBondContact OD1-CA 3.22Å; D69-D71 WeakPolarHBondContact OD1-CB 3.47Å; D69-D71 PolarHBondContact OD1-N 3.19Å; D71-N73 VanDerWaalsContact C-N 3.29Å; D71-R211 VanDerWaalsContact CA-NH1 3.28Å; D71-R211 PolarHBondContact O-NH1 3.35Å; D71-R211 IonicContact OD1-CZ 2.71Å; D71-R211 IonicContact OD1-NH1 2.62Å; D71-R211 PolarHBondContact OD1-NH1 3.18Å; D71-R211 IonicContact OD1-NH2 3.04Å; D71-R211 PolarHBondContact OD1-NH2 3.42Å
72	L	98.4	Very high	98.4	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.073	19%	0.192	C	C	.	.	S	Bend	trans	72.9	16	-179.3	-45.8	-178.7	0	0	0	113.9	M43 W45 D69 I204 L207 Q208	M43-L72 HydrophobicContact CE-CD2 4.14Å; M43-L72 HydrophobicContact SD-CD2 3.84Å; W45-L72 HydrophobicContact CZ2-CD2 3.9Å; D69-L72 PolarHBondContact O-N 3.27Å; D69-L72 PolarHBondContact OD1-N 2.79Å; D69-L72 VanDerWaalsContact OD1-N 3.09Å; L72-I204 HydrophobicContact CB-CG2 4.24Å; L72-L207 HydrophobicContact CD1-CB 4.21Å; L72-L207 HydrophobicContact CD1-CD2 4.16Å; L72-L207 HydrophobicContact CD1-CG 4.05Å; L72-L207 HydrophobicContact CD2-CD2 3.96Å; L72-Q208 HydrophobicContact CD1-CB 4Å
73	N	98.3	Very high	98.4	Very high	91 Å²	91	34.8 Å²	34.8	49%	0.487	19%	0.192	S	C	.	.			trans	-78.4	127.1	171.7	-51.3	-62.5	0	0	0	109.3	T68 D69 D71 L75	T68-N73 CarbonylContact C-O 3.57Å; T68-N73 WeakPolarHBondContact CA-O 3.38Å; T68-N73 WeakPolarHBondContact CB-O 3.47Å; D69-N73 PolarHBondContact N-O 2.73Å; D69-N73 PolarHBondContact OD1-N 2.85Å; D69-N73 PolarHBondContact OD1-ND2 3Å; D69-N73 WeakPolarHBondContact OD2-CB 3.27Å; D69-N73 PolarHBondContact OD2-ND2 3.38Å; D71-N73 VanDerWaalsContact C-N 3.29Å; N73-L75 PolarHBondContact O-N 2.82Å
74	I	98.3	Very high	98.4	Very high	83 Å²	83	38.4 Å²	38.4	43%	0.426	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	124.4	176.5	-60.6	169.6	0	0	0	109	L66 T68 E77 I204	L66-I74 HydrophobicContact CD1-CD1 4.29Å; T68-I74 HydrophobicContact CG2-CG1 4.2Å; I74-E77 HydrophobicContact CG2-CG 4.35Å; I74-I204 HydrophobicContact CD1-CD1 4.5Å; I74-I204 HydrophobicContact CG1-CD1 4.32Å
75	L	98.3	Very high	98.4	Very high	74 Å²	74	39.4 Å²	39.4	39%	0.387	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-34.7	178.8	-59.2	-177.4	0	0	0	112.1	R42 I67 D69 N73	R42-L75 HydrophobicContact CG-CD1 4.05Å; R42-L75 VanDerWaalsContact NE-CD1 3.3Å; I67-L75 HydrophobicContact CG2-CB 4.45Å; I67-L75 HydrophobicContact CG2-CD1 4.37Å; I67-L75 PolarHBondContact O-N 2.99Å; D69-L75 HydrophobicContact CB-CD1 4.02Å; D69-L75 HydrophobicContact CB-CD2 4.21Å; D69-L75 HydrophobicContact CB-CG 4.27Å; N73-L75 PolarHBondContact O-N 2.82Å
76	A	97.9	Very high	98.4	Very high	17 Å²	17	42.6 Å²	42.6	14%	0.14	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	140	-178.4	0	0	0	0	0	110.6	I67 F127 Q131	I67-A76 HydrophobicContact CB-CB 4.41Å; I67-A76 PolarHBondContact N-O 3.39Å; I67-A76 PolarHBondContact O-N 3.05Å; A76-F127 HydrophobicContact CB-CE2 3.97Å; A76-F127 HydrophobicContact CB-CZ 3.92Å; A76-Q131 HydrophobicContact CB-CG 4.3Å
77	E	98.4	Very high	98.4	Very high	135 Å²	135	45.2 Å²	45.2	63%	0.631	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95	126.6	166.3	-54.3	-169.1	157.1	0	0	109.6	L66 I74	L66-E77 VanDerWaalsContact CD2-CA 3.44Å; L66-E77 HydrophobicContact CD2-CB 3.62Å; L66-E77 HydrophobicContact CD2-CG 3.57Å; I74-E77 HydrophobicContact CG2-CG 4.35Å
78	G	97.9	Very high	98.3	Very high	19 Å²	19	52.1 Å²	52.1	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-170.5	177	0	0	0	0	0	112.3	C65 F127	C65-G78 VanDerWaalsContact O-CA 3.22Å; C65-G78 WeakPolarHBondContact O-CA 3.48Å; C65-G78 PolarHBondContact O-N 3.33Å; G78-F127 VanDerWaalsContact CA-CE2 3.47Å; G78-F127 VanDerWaalsContact N-CZ 3.32Å
79	P	98	Very high	98.3	Very high	29 Å²	29	53.6 Å²	53.6	19%	0.188	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	151.9	174.1	-20.4	32.5	0	0	0	112	C65 L81 E123 F124	C65-P79 PolarHBondContact N-O 3.04Å; P79-L81 HydrophobicContact CB-CD1 3.89Å; P79-L81 HydrophobicContact CB-CD2 3.95Å; P79-L81 HydrophobicContact CB-CG 3.64Å; P79-E123 HydrophobicContact CG-CB 4.31Å; P79-F124 HydrophobicContact CB-CD1 4.37Å; P79-F124 HydrophobicContact CB-CE1 3.79Å; P79-F124 HydrophobicContact CB-CZ 3.92Å; P79-F124 HydrophobicContact CG-CD1 4.25Å; P79-F124 HydrophobicContact CG-CE1 4.14Å; P79-F124 WeakPolarHBondContact O-CE1 3.29Å
80	N	98.4	Very high	98.3	Very high	61 Å²	61	52 Å²	52	33%	0.326	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	99.9	165.2	179.1	18.1	0	0	0	106.9	M63 A64	M63-N80 WeakPolarHBondContact O-CA 3.36Å; A64-N80 HydrophobicContact CB-CB 4.32Å
81	L	98.6	Very high	98.2	Very high	20 Å²	20	54.3 Å²	54.3	11%	0.105	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.9	-164.2	-57.1	-177.8	0	0	0	111	E62 M63 P79 I115 A120 E123 F124	E62-L81 WeakPolarHBondContact CA-O 3.43Å; M63-L81 PolarHBondContact N-O 2.99Å; M63-L81 PolarHBondContact O-N 2.94Å; P79-L81 HydrophobicContact CB-CD1 3.89Å; P79-L81 HydrophobicContact CB-CD2 3.95Å; P79-L81 HydrophobicContact CB-CG 3.64Å; L81-I115 HydrophobicContact CB-CD1 4.29Å; L81-I115 HydrophobicContact CD2-CD1 3.86Å; L81-I115 HydrophobicContact CG-CD1 4.46Å; L81-A120 HydrophobicContact CD1-CB 4.1Å; L81-E123 HydrophobicContact CD1-CB 4.03Å; L81-F124 HydrophobicContact CB-CE2 4.22Å; L81-F124 HydrophobicContact CB-CZ 4.29Å; L81-F124 HydrophobicContact CD1-CD2 4.49Å; L81-F124 HydrophobicContact CD1-CE2 3.84Å; L81-F124 HydrophobicContact CD1-CZ 4.18Å; L81-F124 HydrophobicContact CG-CE2 4.14Å; L81-F124 HydrophobicContact CG-CZ 4.07Å
82	I	98.8	Very high	98.2	Very high	34 Å²	34	54.9 Å²	54.9	17%	0.174	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.9	171.5	-61.5	174.8	0	0	0	107.7	I61 E62 L106 A109 V110 S113	I61-I82 CarbonylContact O-C 3.56Å; I61-I82 WeakPolarHBondContact O-CA 3.47Å; E62-I82 HydrophobicContact CG-CG1 4.02Å; I82-L106 HydrophobicContact CD1-CD1 4.05Å; I82-L106 HydrophobicContact CG1-CD1 4.04Å; I82-L106 HydrophobicContact CG2-CD1 4.03Å; I82-A109 HydrophobicContact CD1-CB 3.46Å; I82-A109 VanDerWaalsContact CD1-CB 3.46Å; I82-A109 HydrophobicContact CG2-CB 4.22Å; I82-V110 HydrophobicContact CG2-CB 4.29Å; I82-V110 HydrophobicContact CG2-CG2 3.66Å; I82-S113 WeakPolarHBondContact O-CB 3.49Å; I82-S113 PolarHBondContact O-OG 2.71Å
83	I	98.8	Very high	98.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-100.5	127.8	-171.7	-56.9	176.5	0	0	0	109	I60 I61 Q85 V110 L117 A120 M155	I60-I83 HydrophobicContact CB-CD1 4.33Å; I60-I83 HydrophobicContact CG2-CD1 3.91Å; I61-I83 PolarHBondContact O-N 3.42Å; I83-Q85 PolarHBondContact O-N 2.85Å; I83-V110 WeakPolarHBondContact O-CG1 3.38Å; I83-L117 HydrophobicContact CD1-CD1 4.1Å; I83-L117 HydrophobicContact CG2-CB 4.29Å; I83-A120 HydrophobicContact CD1-CB 3.74Å; I83-A120 HydrophobicContact CG1-CB 3.9Å; I83-M155 HydrophobicContact CD1-CE 3.8Å
84	K	98.8	Very high	98.1	Very high	76 Å²	76	53.4 Å²	53.4	33%	0.33	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-63.2	132	178.2	179.2	58.1	174.3	174	0	110.3	D87 V110 K111 S113 I115	K84-D87 IonicContact NZ-OD1 3.82Å; K84-V110 WeakPolarHBondContact CD-O 3.22Å; K84-K111 PolarHBondContact NZ-O 2.89Å; K84-S113 WeakPolarHBondContact CD-O 3.3Å; K84-I115 PolarHBondContact N-O 3.35Å
85	Q	98.6	Very high	98	Very high	20 Å²	20	55.8 Å²	55.8	9%	0.093	31%	0.307	C	S	.	.			trans	-127.1	157.9	170.1	-66.4	-60.3	-16.3	0	0	111.3	Q59 I60 I61 I83 L89 L90 V110	Q59-Q85 HydrophobicContact CB-CG 4.24Å; Q59-Q85 VanDerWaalsContact CB-NE2 3.34Å; I60-Q85 PolarHBondContact O-NE2 3.39Å; I61-Q85 HydrophobicContact CG2-CB 4.38Å; I61-Q85 HydrophobicContact CG2-CG 3.6Å; I83-Q85 PolarHBondContact O-N 2.85Å; Q85-L89 HydrophobicContact CB-CD2 4.23Å; Q85-L89 HydrophobicContact CG-CD2 4.34Å; Q85-L90 HydrophobicContact CB-CD2 4.4Å; Q85-V110 HydrophobicContact CB-CG1 3.98Å; Q85-V110 HydrophobicContact CG-CG1 4.42Å
86	P	98.3	Very high	97.9	Very high	68 Å²	68	58.7 Å²	58.7	44%	0.442	31%	0.313	S	S	.	.			trans	-61.2	144.3	174.2	-21.1	33.2	0	0	0	112.2	E88 L89 L90	P86-E88 VanDerWaalsContact C-N 3.26Å; P86-E88 WeakPolarHBondContact CB-OE2 3.11Å; P86-E88 PolarHBondContact O-N 3.32Å; P86-L89 WeakPolarHBondContact O-CB 3.41Å; P86-L89 PolarHBondContact O-N 3.44Å; P86-L90 PolarHBondContact O-N 2.8Å
87	D	97.8	Very high	97.9	Very high	56 Å²	56	58.3 Å²	58.3	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-63.2	-34.9	-179.7	-84.1	44.5	0	0	0	111.5	K84 L89 L90 D91 K111	K84-D87 IonicContact NZ-OD1 3.82Å; D87-L89 VanDerWaalsContact C-N 3.27Å; D87-L89 PolarHBondContact O-N 2.82Å; D87-L90 PolarHBondContact O-N 3.24Å; D87-D91 WeakPolarHBondContact O-CB 3.44Å; D87-D91 PolarHBondContact O-N 3.25Å; D87-K111 WeakPolarHBondContact OD2-CD 3.49Å; D87-K111 WeakPolarHBondContact OD2-CE 3.5Å; D87-K111 IonicContact OD2-NZ 3.99Å; D87-K111 PolarHBondContact OD2-NZ 3.09Å
88	E	98	Very high	97.7	Very high	145 Å²	145	55.8 Å²	55.8	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-61.6	-35.8	178	-57.9	77.9	-169.5	0	0	112.1	P86 S92	P86-E88 VanDerWaalsContact C-N 3.26Å; P86-E88 WeakPolarHBondContact CB-OE2 3.11Å; P86-E88 PolarHBondContact O-N 3.32Å; E88-S92 VanDerWaalsContact O-CB 3.3Å; E88-S92 WeakPolarHBondContact O-CB 3.45Å; E88-S92 PolarHBondContact O-N 3.16Å; E88-S92 VanDerWaalsContact O-N 3.12Å; E88-S92 PolarHBondContact O-OG 3.21Å
89	L	98.1	Very high	97.6	Very high	31 Å²	31	59.6 Å²	59.6	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-67.6	-47.7	176.2	177.6	65.9	0	0	0	110.3	T51 Q59 Q85 P86 D87 D91 S92 M93	T51-L89 HydrophobicContact CG2-CD2 3.87Å; T51-L89 HydrophobicContact CG2-CG 4.07Å; Q59-L89 HydrophobicContact CB-CD2 3.76Å; Q59-L89 HydrophobicContact CG-CD2 3.37Å; Q85-L89 HydrophobicContact CB-CD2 4.23Å; Q85-L89 HydrophobicContact CG-CD2 4.34Å; P86-L89 WeakPolarHBondContact O-CB 3.41Å; P86-L89 PolarHBondContact O-N 3.44Å; D87-L89 VanDerWaalsContact C-N 3.27Å; D87-L89 PolarHBondContact O-N 2.82Å; L89-D91 VanDerWaalsContact C-N 3.31Å; L89-D91 PolarHBondContact O-N 2.82Å; L89-S92 PolarHBondContact O-N 3.03Å; L89-S92 VanDerWaalsContact O-N 3.07Å; L89-S92 PolarHBondContact O-OG 2.65Å; L89-M93 PolarHBondContact O-N 3.46Å
90	L	98.1	Very high	97.4	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-41.4	179.6	-59.7	175.9	0	0	0	111.7	T51 I61 Q85 P86 D87 S92 M93 T107 V110 K111	T51-L90 HydrophobicContact CG2-CD2 4.2Å; I61-L90 HydrophobicContact CG2-CD2 4.39Å; Q85-L90 HydrophobicContact CB-CD2 4.4Å; P86-L90 PolarHBondContact O-N 2.8Å; D87-L90 PolarHBondContact O-N 3.24Å; L90-S92 PolarHBondContact O-N 2.86Å; L90-M93 HydrophobicContact CB-CE 4.31Å; L90-M93 HydrophobicContact CD2-CE 4.2Å; L90-M93 HydrophobicContact CD2-SD 4.31Å; L90-M93 WeakPolarHBondContact O-CB 3.21Å; L90-M93 WeakPolarHBondContact O-CE 3.47Å; L90-M93 WeakPolarHBondContact O-CG 3.49Å; L90-M93 PolarHBondContact O-N 2.81Å; L90-T107 HydrophobicContact CD1-CG2 4.45Å; L90-V110 HydrophobicContact CD1-CB 4.31Å; L90-V110 HydrophobicContact CD1-CG1 3.81Å; L90-V110 HydrophobicContact CD2-CG1 4.03Å; L90-V110 HydrophobicContact CG-CG1 4.46Å; L90-K111 HydrophobicContact CD1-CG 3.73Å
91	D	97	Very high	97.4	Very high	97 Å²	97	57.6 Å²	57.6	52%	0.519	30%	0.295	S	S	.	.	H	α-helix	trans	-71.6	-18.5	178.4	-66.2	-10.6	0	0	0	112	D87 L89 K98 K111	D87-D91 WeakPolarHBondContact O-CB 3.44Å; D87-D91 PolarHBondContact O-N 3.25Å; L89-D91 VanDerWaalsContact C-N 3.31Å; L89-D91 PolarHBondContact O-N 2.82Å; D91-K98 WeakPolarHBondContact O-CE 3.48Å; D91-K98 PolarHBondContact O-NZ 3Å; D91-K111 IonicContact OD1-NZ 4Å
92	S	96.9	Very high	97.2	Very high	81 Å²	81	58.7 Å²	58.7	57%	0.566	31%	0.311	S	S	*	.	H	α-helix	trans	-92.5	-4.4	175.6	76.9	0	0	0	0	114.8	E88 L89 L90	E88-S92 VanDerWaalsContact O-CB 3.3Å; E88-S92 WeakPolarHBondContact O-CB 3.45Å; E88-S92 PolarHBondContact O-N 3.16Å; E88-S92 VanDerWaalsContact O-N 3.12Å; E88-S92 PolarHBondContact O-OG 3.21Å; L89-S92 PolarHBondContact O-N 3.03Å; L89-S92 VanDerWaalsContact O-N 3.07Å; L89-S92 PolarHBondContact O-OG 2.65Å; L90-S92 PolarHBondContact O-N 2.86Å
93	M	97.8	Very high	97	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.039	34%	0.335	C	S	.	.	S	Bend	trans	-56.8	154.2	176.7	-70.7	-168.4	-60.2	0	0	112.2	T51 L89 L90 C97 K98	T51-M93 HydrophobicContact CG2-CG 4.34Å; T51-M93 HydrophobicContact CG2-SD 3.95Å; T51-M93 WeakPolarHBondContact O-CG 3.45Å; L89-M93 PolarHBondContact O-N 3.46Å; L90-M93 HydrophobicContact CB-CE 4.31Å; L90-M93 HydrophobicContact CD2-CE 4.2Å; L90-M93 HydrophobicContact CD2-SD 4.31Å; L90-M93 WeakPolarHBondContact O-CB 3.21Å; L90-M93 WeakPolarHBondContact O-CE 3.47Å; L90-M93 WeakPolarHBondContact O-CG 3.49Å; L90-M93 PolarHBondContact O-N 2.81Å; M93-C97 HydrophobicContact CB-CB 3.95Å; M93-C97 HydrophobicContact CG-CB 4.43Å; M93-C97 HydrophobicContact SD-CB 4.06Å; M93-K98 HydrophobicContact CB-CG 3.93Å; M93-K98 HydrophobicContact CE-CG 4.38Å; M93-K98 WeakPolarHBondContact O-CD 3.4Å; M93-K98 WeakPolarHBondContact O-CE 3.35Å; M93-K98 PolarHBondContact O-NZ 3.47Å
94	S	97	Very high	96.8	Very high	65 Å²	65	66.1 Å²	66.1	46%	0.455	35%	0.347	S	S	.	.			trans	-58.9	156.3	171.5	70.5	0	0	0	0	111.7	W96 C97 K98	S94-W96 PolarHBondContact O-N 3.43Å; S94-C97 PolarHBondContact O-N 3.28Å; S94-C97 VanDerWaalsContact O-N 3.09Å; S94-C97 PolarHBondContact OG-N 3.38Å; S94-C97 PolarHBondContact OG-SG 3.33Å; S94-K98 WeakPolarHBondContact O-CG 3.33Å; S94-K98 PolarHBondContact O-N 2.87Å
95	D	97.4	Very high	96.7	Very high	133 Å²	133	64.1 Å²	64.1	71%	0.711	35%	0.348	S	S	*	.	H	α-helix	trans	-57.5	-38.3	179	-66.2	-21.8	0	0	0	112	K98 E99	D95-K98 PolarHBondContact O-N 2.81Å; D95-E99 WeakPolarHBondContact O-CB 3.36Å; D95-E99 PolarHBondContact O-N 3.19Å
96	W	96.2	Very high	96.6	Very high	135 Å²	135	63.2 Å²	63.2	51%	0.511	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-48.9	175.7	-171.8	94.2	0	0	0	111.4	S94 E99 H100 H194	S94-W96 PolarHBondContact O-N 3.43Å; W96-E99 PolarHBondContact O-N 3.23Å; W96-H100 AromaticContact CD1-CE1 3.46Å; W96-H100 VanDerWaalsContact CD1-CE1 3.46Å; W96-H100 AromaticContact CD1-ND1 3.82Å; W96-H100 AromaticContact CD2-CE1 3.81Å; W96-H100 AromaticContact CD2-ND1 3.53Å; W96-H100 AromaticContact CE2-CD2 3.98Å; W96-H100 AromaticContact CE2-CE1 3.29Å; W96-H100 AromaticContact CE2-CG 3.87Å; W96-H100 AromaticContact CE2-ND1 3.42Å; W96-H100 AromaticContact CE2-NE2 3.65Å; W96-H100 AromaticContact CG-CE1 3.9Å; W96-H100 AromaticContact CG-ND1 3.79Å; W96-H100 HydrophobicContact CH2-CB 4.37Å; W96-H100 AromaticContact CH2-CG 3.99Å; W96-H100 AromaticContact CZ2-CD2 3.66Å; W96-H100 AromaticContact CZ2-CE1 3.78Å; W96-H100 AromaticContact CZ2-CG 3.79Å; W96-H100 AromaticContact CZ2-ND1 3.84Å; W96-H100 AromaticContact CZ2-NE2 3.67Å; W96-H100 HydrophobicContact CZ3-CB 4.35Å; W96-H100 AromaticContact NE1-CE1 3.07Å; W96-H100 PolarHBondContact NE1-CE1 3.12Å; W96-H100 AromaticContact NE1-ND1 3.62Å; W96-H100 AromaticContact NE1-NE2 3.6Å; W96-H100 PolarHBondContact O-N 3.3Å; W96-H100 PolarHBondContact O-ND1 3.49Å; W96-H194 AromaticContact CH2-CE1 3.79Å
97	C	96.1	Very high	96.6	Very high	9 Å²	9	61.2 Å²	61.2	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-65.2	-42.3	179	-69	0	0	0	0	111.6	T51 M93 S94 E99 H100 H101	T51-C97 PolarHBondContact O-SG 2.86Å; M93-C97 HydrophobicContact CB-CB 3.95Å; M93-C97 HydrophobicContact CG-CB 4.43Å; M93-C97 HydrophobicContact SD-CB 4.06Å; S94-C97 PolarHBondContact O-N 3.28Å; S94-C97 VanDerWaalsContact O-N 3.09Å; S94-C97 PolarHBondContact OG-N 3.38Å; S94-C97 PolarHBondContact OG-SG 3.33Å; C97-E99 VanDerWaalsContact C-N 3.33Å; C97-E99 PolarHBondContact O-N 2.82Å; C97-H100 PolarHBondContact O-N 3.46Å; C97-H101 WeakPolarHBondContact O-CB 3.38Å; C97-H101 PolarHBondContact O-CD2 3.17Å; C97-H101 VanDerWaalsContact O-CG 3.3Å; C97-H101 PolarHBondContact O-N 3.29Å
98	K	95.1	Very high	96.6	Very high	83 Å²	83	64.5 Å²	64.5	36%	0.361	34%	0.342	S	S	.	.	H	α-helix	trans	-59.6	-43.5	176.2	-75.1	173.5	172.7	153.4	0	112.2	D91 M93 S94 D95 G102	D91-K98 WeakPolarHBondContact O-CE 3.48Å; D91-K98 PolarHBondContact O-NZ 3Å; M93-K98 HydrophobicContact CB-CG 3.93Å; M93-K98 HydrophobicContact CE-CG 4.38Å; M93-K98 WeakPolarHBondContact O-CD 3.4Å; M93-K98 WeakPolarHBondContact O-CE 3.35Å; M93-K98 PolarHBondContact O-NZ 3.47Å; S94-K98 WeakPolarHBondContact O-CG 3.33Å; S94-K98 PolarHBondContact O-N 2.87Å; D95-K98 PolarHBondContact O-N 2.81Å; K98-G102 WeakPolarHBondContact O-CA 3.31Å; K98-G102 PolarHBondContact O-N 3.21Å
99	E	96.1	Very high	96.6	Very high	98 Å²	98	58.9 Å²	58.9	46%	0.458	32%	0.32	S	S	.	.	H	α-helix	trans	-67	-50.3	179.6	-175.6	178	179	0	0	111.7	D95 W96 C97 K103	D95-E99 WeakPolarHBondContact O-CB 3.36Å; D95-E99 PolarHBondContact O-N 3.19Å; W96-E99 PolarHBondContact O-N 3.23Å; C97-E99 VanDerWaalsContact C-N 3.33Å; C97-E99 PolarHBondContact O-N 2.82Å; E99-K103 HydrophobicContact CG-CD 4.16Å; E99-K103 WeakPolarHBondContact O-CB 3.35Å; E99-K103 VanDerWaalsContact O-CG 3.27Å; E99-K103 WeakPolarHBondContact O-CG 3.29Å; E99-K103 PolarHBondContact O-N 3.1Å; E99-K103 WeakPolarHBondContact OE1-CE 3.46Å; E99-K103 IonicContact OE1-NZ 3.34Å; E99-K103 PolarHBondContact OE1-NZ 3.01Å
100	H	94.5	Very high	96.7	Very high	46 Å²	46	57.4 Å²	57.4	21%	0.213	31%	0.312	C	S	.	.	H	α-helix	trans	-69.2	-50.2	-174.9	-70.6	72.1	0	0	0	111.2	W96 C97 G102 K103 S104 H194	W96-H100 AromaticContact CD1-CE1 3.46Å; W96-H100 VanDerWaalsContact CD1-CE1 3.46Å; W96-H100 AromaticContact CD1-ND1 3.82Å; W96-H100 AromaticContact CD2-CE1 3.81Å; W96-H100 AromaticContact CD2-ND1 3.53Å; W96-H100 AromaticContact CE2-CD2 3.98Å; W96-H100 AromaticContact CE2-CE1 3.29Å; W96-H100 AromaticContact CE2-CG 3.87Å; W96-H100 AromaticContact CE2-ND1 3.42Å; W96-H100 AromaticContact CE2-NE2 3.65Å; W96-H100 AromaticContact CG-CE1 3.9Å; W96-H100 AromaticContact CG-ND1 3.79Å; W96-H100 HydrophobicContact CH2-CB 4.37Å; W96-H100 AromaticContact CH2-CG 3.99Å; W96-H100 AromaticContact CZ2-CD2 3.66Å; W96-H100 AromaticContact CZ2-CE1 3.78Å; W96-H100 AromaticContact CZ2-CG 3.79Å; W96-H100 AromaticContact CZ2-ND1 3.84Å; W96-H100 AromaticContact CZ2-NE2 3.67Å; W96-H100 HydrophobicContact CZ3-CB 4.35Å; W96-H100 AromaticContact NE1-CE1 3.07Å; W96-H100 PolarHBondContact NE1-CE1 3.12Å; W96-H100 AromaticContact NE1-ND1 3.62Å; W96-H100 AromaticContact NE1-NE2 3.6Å; W96-H100 PolarHBondContact O-N 3.3Å; W96-H100 PolarHBondContact O-ND1 3.49Å; C97-H100 PolarHBondContact O-N 3.46Å; H100-G102 VanDerWaalsContact C-N 3.27Å; H100-G102 PolarHBondContact O-N 2.82Å; H100-K103 PolarHBondContact O-N 2.97Å; H100-S104 PolarHBondContact O-N 2.98Å; H100-S104 PolarHBondContact O-OG 3.34Å; H100-H194 AromaticContact CD2-CD2 3.74Å; H100-H194 AromaticContact CD2-NE2 3.4Å; H100-H194 PolarHBondContact CD2-NE2 2.92Å
101	H	96.6	Very high	96.7	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.009	33%	0.326	C	S	.	.	H	α-helix	trans	-69.2	-27.4	178.7	-60.1	-29.6	0	0	0	112.6	E49 M50 C97 S104 G105 L106 T107	E49-H101 IonicContact OE2-CE1 2.81Å; E49-H101 PolarHBondContact OE2-CE1 3.01Å; M50-H101 PolarHBondContact O-NE2 3.48Å; C97-H101 WeakPolarHBondContact O-CB 3.38Å; C97-H101 PolarHBondContact O-CD2 3.17Å; C97-H101 VanDerWaalsContact O-CG 3.3Å; C97-H101 PolarHBondContact O-N 3.29Å; H101-S104 PolarHBondContact O-OG 3.47Å; H101-G105 PolarHBondContact O-N 3.06Å; H101-L106 HydrophobicContact CB-CB 4.31Å; H101-L106 PolarHBondContact O-N 2.85Å; H101-T107 VanDerWaalsContact C-OG1 3.31Å; H101-T107 VanDerWaalsContact CB-OG1 3.22Å; H101-T107 WeakPolarHBondContact CB-OG1 3.33Å; H101-T107 PolarHBondContact O-N 2.97Å; H101-T107 PolarHBondContact O-OG1 3Å
102	G	95.6	Very high	96.7	Very high	43 Å²	43	61.8 Å²	61.8	44%	0.443	33%	0.328	S	S	.	.	H	α-helix	trans	-67.5	-48.6	171.5	0	0	0	0	0	112.1	K98 H100 G105	K98-G102 WeakPolarHBondContact O-CA 3.31Å; K98-G102 PolarHBondContact O-N 3.21Å; H100-G102 VanDerWaalsContact C-N 3.27Å; H100-G102 PolarHBondContact O-N 2.82Å; G102-G105 PolarHBondContact O-N 2.81Å
103	K	94.9	Very high	96.8	Very high	156 Å²	156	58.9 Å²	58.9	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-67.6	-37.1	-179.7	-75.1	176.6	-173.9	174.3	0	113.1	E99 H100 G105	E99-K103 HydrophobicContact CG-CD 4.16Å; E99-K103 WeakPolarHBondContact O-CB 3.35Å; E99-K103 VanDerWaalsContact O-CG 3.27Å; E99-K103 WeakPolarHBondContact O-CG 3.29Å; E99-K103 PolarHBondContact O-N 3.1Å; E99-K103 WeakPolarHBondContact OE1-CE 3.46Å; E99-K103 IonicContact OE1-NZ 3.34Å; E99-K103 PolarHBondContact OE1-NZ 3.01Å; H100-K103 PolarHBondContact O-N 2.97Å; K103-G105 PolarHBondContact O-N 2.98Å
104	S	93.9	Very high	96.9	Very high	35 Å²	35	64.4 Å²	64.4	25%	0.245	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.6	176.1	69.5	0	0	0	0	113	H100 H101 L106	H100-S104 PolarHBondContact O-N 2.98Å; H100-S104 PolarHBondContact O-OG 3.34Å; H101-S104 PolarHBondContact O-OG 3.47Å; S104-L106 PolarHBondContact O-N 3.33Å; S104-L106 WeakPolarHBondContact OG-CB 3.15Å; S104-L106 PolarHBondContact OG-N 3.18Å
105	G	96.5	Very high	96.9	Very high	34 Å²	34	63 Å²	63	35%	0.351	33%	0.329	S	S	.	.	S	Bend	trans	80.8	-0.3	-173.9	0	0	0	0	0	113.8	H101 G102 K103 T107 K108 A109	H101-G105 PolarHBondContact O-N 3.06Å; G102-G105 PolarHBondContact O-N 2.81Å; K103-G105 PolarHBondContact O-N 2.98Å; G105-T107 PolarHBondContact O-N 2.81Å; G105-K108 PolarHBondContact O-N 2.91Å; G105-A109 PolarHBondContact O-N 3.42Å; G105-A109 VanDerWaalsContact O-N 3.11Å
106	L	97.3	Very high	97	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-43.2	-177.7	-179.5	57.5	0	0	0	112	E49 I61 E62 I82 H101 S104 K108 A109 V110	E49-L106 HydrophobicContact CB-CD2 3.59Å; E49-L106 HydrophobicContact CG-CD2 3.87Å; I61-L106 HydrophobicContact CD1-CD2 3.68Å; I61-L106 HydrophobicContact CD1-CG 4.18Å; I61-L106 HydrophobicContact CG1-CD2 4.11Å; E62-L106 HydrophobicContact CB-CD1 3.96Å; E62-L106 HydrophobicContact CB-CD2 4.2Å; E62-L106 HydrophobicContact CG-CD1 4.38Å; I82-L106 HydrophobicContact CD1-CD1 4.05Å; I82-L106 HydrophobicContact CG1-CD1 4.04Å; I82-L106 HydrophobicContact CG2-CD1 4.03Å; H101-L106 HydrophobicContact CB-CB 4.31Å; H101-L106 PolarHBondContact O-N 2.85Å; S104-L106 PolarHBondContact O-N 3.33Å; S104-L106 WeakPolarHBondContact OG-CB 3.15Å; S104-L106 PolarHBondContact OG-N 3.18Å; L106-K108 VanDerWaalsContact C-N 3.27Å; L106-K108 PolarHBondContact O-N 2.86Å; L106-A109 CarbonylContact O-C 3.55Å; L106-A109 PolarHBondContact O-N 2.98Å; L106-A109 VanDerWaalsContact O-N 3.07Å; L106-V110 HydrophobicContact CD1-CG2 4.02Å; L106-V110 HydrophobicContact CG-CG2 4.21Å; L106-V110 VanDerWaalsContact O-CG2 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 3.19Å
107	T	98.1	Very high	97.1	Very high	26 Å²	26	54.3 Å²	54.3	16%	0.16	30%	0.295	C	S	.	.	H	α-helix	trans	-57	-41.5	178.8	-57.4	0	0	0	0	112	L90 H101 G105 K111	L90-T107 HydrophobicContact CD1-CG2 4.45Å; H101-T107 VanDerWaalsContact C-OG1 3.31Å; H101-T107 VanDerWaalsContact CB-OG1 3.22Å; H101-T107 WeakPolarHBondContact CB-OG1 3.33Å; H101-T107 PolarHBondContact O-N 2.97Å; H101-T107 PolarHBondContact O-OG1 3Å; G105-T107 PolarHBondContact O-N 2.81Å; T107-K111 WeakPolarHBondContact O-CG 3.49Å; T107-K111 PolarHBondContact O-N 3.3Å
108	K	98.1	Very high	97.3	Very high	125 Å²	125	59.9 Å²	59.9	54%	0.543	32%	0.32	S	S	.	.	H	α-helix	trans	-66.6	-44.5	177	179.1	177.5	176.2	-68.3	0	110.9	G105 L106 V110 K111 E112	G105-K108 PolarHBondContact O-N 2.91Å; L106-K108 VanDerWaalsContact C-N 3.27Å; L106-K108 PolarHBondContact O-N 2.86Å; K108-V110 VanDerWaalsContact C-N 3.32Å; K108-V110 PolarHBondContact O-N 3.32Å; K108-K111 WeakPolarHBondContact O-CB 3.22Å; K108-K111 PolarHBondContact O-N 3.12Å; K108-K111 VanDerWaalsContact O-N 3.16Å; K108-E112 WeakPolarHBondContact CE-OE1 3.3Å; K108-E112 IonicContact NZ-OE1 2.77Å; K108-E112 PolarHBondContact NZ-OE1 3.06Å; K108-E112 IonicContact NZ-OE2 3.36Å; K108-E112 PolarHBondContact NZ-OE2 3.18Å; K108-E112 WeakPolarHBondContact O-CG 3.39Å; K108-E112 PolarHBondContact O-N 3.12Å; K108-E112 VanDerWaalsContact O-N 3.09Å
109	A	98.3	Very high	97.4	Very high	26 Å²	26	60.4 Å²	60.4	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-35.5	179.3	0	0	0	0	0	112.6	I82 G105 L106 K111 E112 S113	I82-A109 HydrophobicContact CD1-CB 3.46Å; I82-A109 VanDerWaalsContact CD1-CB 3.46Å; I82-A109 HydrophobicContact CG2-CB 4.22Å; G105-A109 PolarHBondContact O-N 3.42Å; G105-A109 VanDerWaalsContact O-N 3.11Å; L106-A109 CarbonylContact O-C 3.55Å; L106-A109 PolarHBondContact O-N 2.98Å; L106-A109 VanDerWaalsContact O-N 3.07Å; A109-K111 VanDerWaalsContact C-N 3.34Å; A109-E112 CarbonylContact O-C 3.56Å; A109-E112 PolarHBondContact O-N 3.36Å; A109-S113 WeakPolarHBondContact O-CB 3.3Å; A109-S113 PolarHBondContact O-N 2.88Å
110	V	98.6	Very high	97.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-42.6	172.4	173.8	0	0	0	0	110.8	I61 I82 I83 K84 Q85 L90 L106 K108 E112 S113	I61-V110 HydrophobicContact CB-CG2 3.73Å; I61-V110 HydrophobicContact CG2-CG1 4.26Å; I61-V110 HydrophobicContact CG2-CG2 4.06Å; I82-V110 HydrophobicContact CG2-CB 4.29Å; I82-V110 HydrophobicContact CG2-CG2 3.66Å; I83-V110 WeakPolarHBondContact O-CG1 3.38Å; K84-V110 WeakPolarHBondContact CD-O 3.22Å; Q85-V110 HydrophobicContact CB-CG1 3.98Å; Q85-V110 HydrophobicContact CG-CG1 4.42Å; L90-V110 HydrophobicContact CD1-CB 4.31Å; L90-V110 HydrophobicContact CD1-CG1 3.81Å; L90-V110 HydrophobicContact CD2-CG1 4.03Å; L90-V110 HydrophobicContact CG-CG1 4.46Å; L106-V110 HydrophobicContact CD1-CG2 4.02Å; L106-V110 HydrophobicContact CG-CG2 4.21Å; L106-V110 VanDerWaalsContact O-CG2 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 3.19Å; K108-V110 VanDerWaalsContact C-N 3.32Å; K108-V110 PolarHBondContact O-N 3.32Å; V110-E112 VanDerWaalsContact C-N 3.27Å; V110-E112 PolarHBondContact O-N 3.35Å; V110-S113 PolarHBondContact O-N 3.35Å
111	K	98.3	Very high	97.8	Very high	71 Å²	71	54.8 Å²	54.8	31%	0.309	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-34.8	177.2	-69.2	-173.4	-176.4	-139.1	0	112.2	K84 D87 L90 D91 T107 K108 A109	K84-K111 PolarHBondContact NZ-O 2.89Å; D87-K111 WeakPolarHBondContact OD2-CD 3.49Å; D87-K111 WeakPolarHBondContact OD2-CE 3.5Å; D87-K111 IonicContact OD2-NZ 3.99Å; D87-K111 PolarHBondContact OD2-NZ 3.09Å; L90-K111 HydrophobicContact CD1-CG 3.73Å; D91-K111 IonicContact OD1-NZ 4Å; T107-K111 WeakPolarHBondContact O-CG 3.49Å; T107-K111 PolarHBondContact O-N 3.3Å; K108-K111 WeakPolarHBondContact O-CB 3.22Å; K108-K111 PolarHBondContact O-N 3.12Å; K108-K111 VanDerWaalsContact O-N 3.16Å; A109-K111 VanDerWaalsContact C-N 3.34Å
112	E	98.4	Very high	97.9	Very high	120 Å²	120	62.1 Å²	62.1	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-85.6	-15.8	-180	-68.9	170.5	176.2	0	0	113.7	K108 A109 V110	K108-E112 WeakPolarHBondContact CE-OE1 3.3Å; K108-E112 IonicContact NZ-OE1 2.77Å; K108-E112 PolarHBondContact NZ-OE1 3.06Å; K108-E112 IonicContact NZ-OE2 3.36Å; K108-E112 PolarHBondContact NZ-OE2 3.18Å; K108-E112 WeakPolarHBondContact O-CG 3.39Å; K108-E112 PolarHBondContact O-N 3.12Å; K108-E112 VanDerWaalsContact O-N 3.09Å; A109-E112 CarbonylContact O-C 3.56Å; A109-E112 PolarHBondContact O-N 3.36Å; V110-E112 VanDerWaalsContact C-N 3.27Å; V110-E112 PolarHBondContact O-N 3.35Å
113	S	98.6	Very high	98	Very high	20 Å²	20	64 Å²	64	14%	0.14	32%	0.324	C	S	.	.			trans	-64.4	146.8	-178.7	-177.7	0	0	0	0	112.1	I82 K84 A109 V110 I115	I82-S113 WeakPolarHBondContact O-CB 3.49Å; I82-S113 PolarHBondContact O-OG 2.71Å; K84-S113 WeakPolarHBondContact CD-O 3.3Å; A109-S113 WeakPolarHBondContact O-CB 3.3Å; A109-S113 PolarHBondContact O-N 2.88Å; V110-S113 PolarHBondContact O-N 3.35Å; S113-I115 PolarHBondContact OG-N 3.04Å; S113-I115 VanDerWaalsContact OG-N 3.13Å
114	T	98.5	Very high	98.2	Very high	124 Å²	124	56.6 Å²	56.6	76%	0.761	29%	0.292	S	S	*	.			trans	-114.1	1.8	173.3	55.1	0	0	0	0	112.4
115	I	98.8	Very high	98.5	Very high	35 Å²	35	55.5 Å²	55.5	18%	0.179	28%	0.283	C	S	.	.			trans	-86.3	121.8	-176	-57.5	179.9	0	0	0	109	L81 K84 S113 Q119 A120	L81-I115 HydrophobicContact CB-CD1 4.29Å; L81-I115 HydrophobicContact CD2-CD1 3.86Å; L81-I115 HydrophobicContact CG-CD1 4.46Å; K84-I115 PolarHBondContact N-O 3.35Å; S113-I115 PolarHBondContact OG-N 3.04Å; S113-I115 VanDerWaalsContact OG-N 3.13Å; I115-Q119 HydrophobicContact CG2-CB 4.17Å; I115-A120 HydrophobicContact CG2-CB 4.01Å
116	T	98.8	Very high	98.6	Very high	59 Å²	59	55.8 Å²	55.8	36%	0.362	28%	0.28	S	S	.	.			trans	-81.2	159.7	172.1	73.5	0	0	0	0	111.3	Q118 Q119 A120	T116-Q118 PolarHBondContact O-N 2.98Å; T116-Q119 PolarHBondContact O-N 3.11Å; T116-Q119 VanDerWaalsContact O-N 3.16Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.32Å; T116-Q119 PolarHBondContact OG1-N 3.25Å; T116-Q119 PolarHBondContact OG1-OE1 3.43Å; T116-A120 PolarHBondContact O-N 3.07Å
117	L	98.8	Very high	98.7	Very high	27 Å²	27	56.9 Å²	56.9	14%	0.141	28%	0.284	C	S	.	.	H	α-helix	trans	-54.3	-41.3	175.4	179.1	68	0	0	0	112.3	I60 I83 A120 E121 Y154 M155	I60-L117 HydrophobicContact CD1-CD1 4.35Å; I83-L117 HydrophobicContact CD1-CD1 4.1Å; I83-L117 HydrophobicContact CG2-CB 4.29Å; L117-A120 PolarHBondContact O-N 3.49Å; L117-E121 WeakPolarHBondContact O-CB 3.4Å; L117-E121 PolarHBondContact O-N 3.24Å; L117-Y154 HydrophobicContact CD2-CD1 4.32Å; L117-M155 HydrophobicContact CD1-CE 3.56Å; L117-M155 HydrophobicContact CD1-CG 4.22Å
118	Q	98.8	Very high	98.7	Very high	126 Å²	126	55.6 Å²	55.6	59%	0.589	28%	0.277	S	S	*	.	H	α-helix	trans	-70.8	-34.4	-178.6	-62.4	76.2	19.2	0	0	112.2	T116 Y122	T116-Q118 PolarHBondContact O-N 2.98Å; Q118-Y122 WeakPolarHBondContact O-CB 3.35Å; Q118-Y122 PolarHBondContact O-N 3.18Å
119	Q	98.8	Very high	98.7	Very high	95 Å²	95	56.6 Å²	56.6	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-65.9	-47.9	173	-73.4	171	-38.4	0	0	110.3	I115 T116 E121 Y122 E123	I115-Q119 HydrophobicContact CG2-CB 4.17Å; T116-Q119 PolarHBondContact O-N 3.11Å; T116-Q119 VanDerWaalsContact O-N 3.16Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.32Å; T116-Q119 PolarHBondContact OG1-N 3.25Å; T116-Q119 PolarHBondContact OG1-OE1 3.43Å; Q119-E121 PolarHBondContact O-N 3.02Å; Q119-Y122 PolarHBondContact O-N 2.62Å; Q119-E123 WeakPolarHBondContact O-CG 3.19Å; Q119-E123 PolarHBondContact O-N 2.86Å
120	A	98.9	Very high	98.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.8	-49.8	175.7	0	0	0	0	0	111.6	L81 I83 I115 T116 L117 Y122 E123 F124 M155	L81-A120 HydrophobicContact CD1-CB 4.1Å; I83-A120 HydrophobicContact CD1-CB 3.74Å; I83-A120 HydrophobicContact CG1-CB 3.9Å; I115-A120 HydrophobicContact CG2-CB 4.01Å; T116-A120 PolarHBondContact O-N 3.07Å; L117-A120 PolarHBondContact O-N 3.49Å; A120-Y122 VanDerWaalsContact C-N 3.28Å; A120-Y122 PolarHBondContact O-N 2.82Å; A120-E123 PolarHBondContact O-N 3.47Å; A120-E123 VanDerWaalsContact O-N 3.15Å; A120-F124 HydrophobicContact CB-CD2 4.48Å; A120-F124 HydrophobicContact CB-CE2 4.37Å; A120-F124 WeakPolarHBondContact O-CD2 3.44Å; A120-F124 PolarHBondContact O-N 3.07Å; A120-M155 HydrophobicContact CB-CE 4.09Å
121	E	98.9	Very high	98.7	Very high	26 Å²	26	64.1 Å²	64.1	12%	0.121	31%	0.308	C	S	.	.	H	α-helix	trans	-54.5	-45.6	177	-179.4	-179.2	-153.2	0	0	111.5	L117 Q119 F124 L125 M155 P156 Q157 F158	L117-E121 WeakPolarHBondContact O-CB 3.4Å; L117-E121 PolarHBondContact O-N 3.24Å; Q119-E121 PolarHBondContact O-N 3.02Å; E121-F124 PolarHBondContact O-N 3.11Å; E121-L125 WeakPolarHBondContact O-CB 3.28Å; E121-L125 PolarHBondContact O-N 3.3Å; E121-M155 HydrophobicContact CB-CB 4.36Å; E121-M155 HydrophobicContact CB-CG 3.96Å; E121-M155 HydrophobicContact CB-SD 4.06Å; E121-M155 HydrophobicContact CG-CB 3.93Å; E121-M155 HydrophobicContact CG-CG 4.11Å; E121-M155 HydrophobicContact CG-SD 4.44Å; E121-M155 WeakPolarHBondContact OE1-CA 3.48Å; E121-P156 VanDerWaalsContact OE1-N 3.17Å; E121-Q157 WeakPolarHBondContact OE1-CA 3.36Å; E121-Q157 WeakPolarHBondContact OE1-CB 3.23Å; E121-Q157 PolarHBondContact OE1-N 2.93Å; E121-F158 HydrophobicContact CG-CB 4.3Å; E121-F158 PolarHBondContact OE1-N 2.99Å
122	Y	98.8	Very high	98.7	Very high	156 Å²	156	61 Å²	61	61%	0.612	30%	0.295	S	S	*	.	H	α-helix	trans	-63.7	-43.3	179.2	176.8	-96.7	0	0	0	112.4	Q118 Q119 A120 L125 S126	Q118-Y122 WeakPolarHBondContact O-CB 3.35Å; Q118-Y122 PolarHBondContact O-N 3.18Å; Q119-Y122 PolarHBondContact O-N 2.62Å; A120-Y122 VanDerWaalsContact C-N 3.28Å; A120-Y122 PolarHBondContact O-N 2.82Å; Y122-L125 PolarHBondContact O-N 3.11Å; Y122-S126 WeakPolarHBondContact O-CB 3.37Å; Y122-S126 PolarHBondContact O-N 3.23Å
123	E	98.9	Very high	98.7	Very high	83 Å²	83	56.4 Å²	56.4	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-46.8	178.2	-73	-171.1	-138.7	0	0	111.5	P79 L81 Q119 A120 S126 F127	P79-E123 HydrophobicContact CG-CB 4.31Å; L81-E123 HydrophobicContact CD1-CB 4.03Å; Q119-E123 WeakPolarHBondContact O-CG 3.19Å; Q119-E123 PolarHBondContact O-N 2.86Å; A120-E123 PolarHBondContact O-N 3.47Å; A120-E123 VanDerWaalsContact O-N 3.15Å; E123-S126 PolarHBondContact O-N 3.1Å; E123-F127 WeakPolarHBondContact O-CB 3.3Å; E123-F127 PolarHBondContact O-N 2.96Å
124	F	98.9	Very high	98.7	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-44.6	175.9	-74.1	-65.5	0	0	0	112.5	M63 C65 P79 L81 A120 E121 S126 F127 V128 F158	M63-F124 HydrophobicContact CB-CE2 3.71Å; M63-F124 HydrophobicContact CB-CZ 3.82Å; M63-F124 HydrophobicContact CE-CB 4.18Å; M63-F124 HydrophobicContact CE-CD1 3.93Å; M63-F124 HydrophobicContact CE-CD2 3.86Å; M63-F124 HydrophobicContact CE-CE1 4.32Å; M63-F124 HydrophobicContact CE-CE2 4.29Å; M63-F124 HydrophobicContact CE-CG 3.71Å; M63-F124 HydrophobicContact CG-CD2 4.05Å; M63-F124 HydrophobicContact CG-CE1 4Å; M63-F124 HydrophobicContact CG-CE2 3.52Å; M63-F124 HydrophobicContact CG-CZ 3.52Å; M63-F124 VanDerWaalsContact O-CZ 3.27Å; M63-F124 WeakPolarHBondContact O-CZ 3.49Å; M63-F124 HydrophobicContact SD-CD1 4.44Å; M63-F124 HydrophobicContact SD-CD2 3.47Å; M63-F124 WeakPolarHBondContact SD-CD2 3.3Å; M63-F124 HydrophobicContact SD-CE1 4.47Å; M63-F124 HydrophobicContact SD-CE2 3.55Å; M63-F124 VanDerWaalsContact SD-CE2 3.55Å; M63-F124 HydrophobicContact SD-CG 3.99Å; M63-F124 HydrophobicContact SD-CZ 4.09Å; C65-F124 HydrophobicContact CB-CD1 3.63Å; C65-F124 HydrophobicContact CB-CE1 3.67Å; P79-F124 HydrophobicContact CB-CD1 4.37Å; P79-F124 HydrophobicContact CB-CE1 3.79Å; P79-F124 HydrophobicContact CB-CZ 3.92Å; P79-F124 HydrophobicContact CG-CD1 4.25Å; P79-F124 HydrophobicContact CG-CE1 4.14Å; P79-F124 WeakPolarHBondContact O-CE1 3.29Å; L81-F124 HydrophobicContact CB-CE2 4.22Å; L81-F124 HydrophobicContact CB-CZ 4.29Å; L81-F124 HydrophobicContact CD1-CD2 4.49Å; L81-F124 HydrophobicContact CD1-CE2 3.84Å; L81-F124 HydrophobicContact CD1-CZ 4.18Å; L81-F124 HydrophobicContact CG-CE2 4.14Å; L81-F124 HydrophobicContact CG-CZ 4.07Å; A120-F124 HydrophobicContact CB-CD2 4.48Å; A120-F124 HydrophobicContact CB-CE2 4.37Å; A120-F124 WeakPolarHBondContact O-CD2 3.44Å; A120-F124 PolarHBondContact O-N 3.07Å; E121-F124 PolarHBondContact O-N 3.11Å; F124-S126 PolarHBondContact O-N 2.78Å; F124-F127 WeakPolarHBondContact O-CB 3.44Å; F124-F127 PolarHBondContact O-N 3.07Å; F124-V128 WeakPolarHBondContact O-CG2 3.48Å; F124-V128 PolarHBondContact O-N 2.8Å; F124-F158 HydrophobicContact CB-CD2 3.78Å; F124-F158 HydrophobicContact CB-CE2 3.8Å
125	L	98.9	Very high	98.7	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-43.1	178	176.3	58.3	0	0	0	111.7	E121 Y122 F127 V128 R129 Q157 H161	E121-L125 WeakPolarHBondContact O-CB 3.28Å; E121-L125 PolarHBondContact O-N 3.3Å; Y122-L125 PolarHBondContact O-N 3.11Å; L125-F127 VanDerWaalsContact C-N 3.33Å; L125-V128 HydrophobicContact CD1-CG2 4.39Å; L125-V128 WeakPolarHBondContact O-CG2 3.37Å; L125-R129 HydrophobicContact CD1-CG 4.15Å; L125-R129 WeakPolarHBondContact O-CB 3.34Å; L125-R129 VanDerWaalsContact O-CG 3.26Å; L125-R129 WeakPolarHBondContact O-CG 3.29Å; L125-R129 PolarHBondContact O-N 3.39Å; L125-Q157 HydrophobicContact CD2-CB 3.82Å; L125-H161 HydrophobicContact CD1-CB 3.87Å
126	S	98.8	Very high	98.7	Very high	41 Å²	41	58 Å²	58	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-43.6	176.5	-176.5	0	0	0	0	111.1	Y122 E123 F124 Q130	Y122-S126 WeakPolarHBondContact O-CB 3.37Å; Y122-S126 PolarHBondContact O-N 3.23Å; E123-S126 PolarHBondContact O-N 3.1Å; F124-S126 PolarHBondContact O-N 2.78Å; S126-Q130 WeakPolarHBondContact O-CG 3.49Å; S126-Q130 PolarHBondContact O-NE2 3.05Å; S126-Q130 PolarHBondContact OG-NE2 2.98Å
127	F	98.9	Very high	98.7	Very high	23 Å²	23	55.2 Å²	55.2	10%	0.101	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-55.1	175.7	170.2	-107.6	0	0	0	111.8	C65 I67 A76 G78 E123 F124 L125 R129 Q130 Q131	C65-F127 HydrophobicContact CB-CE1 4.4Å; I67-F127 HydrophobicContact CD1-CE1 4.07Å; I67-F127 HydrophobicContact CG1-CE1 3.66Å; I67-F127 HydrophobicContact CG1-CZ 3.69Å; A76-F127 HydrophobicContact CB-CE2 3.97Å; A76-F127 HydrophobicContact CB-CZ 3.92Å; G78-F127 VanDerWaalsContact CA-CE2 3.47Å; G78-F127 VanDerWaalsContact N-CZ 3.32Å; E123-F127 WeakPolarHBondContact O-CB 3.3Å; E123-F127 PolarHBondContact O-N 2.96Å; F124-F127 WeakPolarHBondContact O-CB 3.44Å; F124-F127 PolarHBondContact O-N 3.07Å; L125-F127 VanDerWaalsContact C-N 3.33Å; F127-R129 VanDerWaalsContact C-N 3.28Å; F127-R129 PolarHBondContact O-N 2.96Å; F127-Q130 WeakPolarHBondContact O-CB 3.21Å; F127-Q130 PolarHBondContact O-N 2.97Å; F127-Q130 VanDerWaalsContact O-N 3.07Å; F127-Q131 HydrophobicContact CD2-CG 4.32Å; F127-Q131 HydrophobicContact CE2-CG 3.95Å; F127-Q131 HydrophobicContact CZ-CG 4.12Å; F127-Q131 WeakPolarHBondContact O-CG 3.3Å; F127-Q131 PolarHBondContact O-N 2.84Å
128	V	98.7	Very high	98.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-30.5	-176	-61.1	0	0	0	0	112.7	V44 I67 F124 L125 Q130 Q131 T132 F158	V44-V128 HydrophobicContact CG1-CG1 3.91Å; I67-V128 HydrophobicContact CD1-CG1 4.41Å; F124-V128 WeakPolarHBondContact O-CG2 3.48Å; F124-V128 PolarHBondContact O-N 2.8Å; L125-V128 HydrophobicContact CD1-CG2 4.39Å; L125-V128 WeakPolarHBondContact O-CG2 3.37Å; V128-Q130 PolarHBondContact O-N 2.78Å; V128-Q131 PolarHBondContact O-N 3.19Å; V128-T132 PolarHBondContact O-N 2.91Å; V128-T132 PolarHBondContact O-OG1 3.07Å; V128-F158 HydrophobicContact CB-CE2 4.41Å; V128-F158 HydrophobicContact CG1-CE2 3.6Å; V128-F158 HydrophobicContact CG1-CZ 4.18Å; V128-F158 HydrophobicContact CG2-CD2 4.12Å; V128-F158 HydrophobicContact CG2-CE2 3.92Å
129	R	98.7	Very high	98.7	Very high	146 Å²	146	48.9 Å²	48.9	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-61.4	-30.4	174.1	-82	174.5	172.8	170.1	2.2	113.8	L125 F127 Q131	L125-R129 HydrophobicContact CD1-CG 4.15Å; L125-R129 WeakPolarHBondContact O-CB 3.34Å; L125-R129 VanDerWaalsContact O-CG 3.26Å; L125-R129 WeakPolarHBondContact O-CG 3.29Å; L125-R129 PolarHBondContact O-N 3.39Å; F127-R129 VanDerWaalsContact C-N 3.28Å; F127-R129 PolarHBondContact O-N 2.96Å; R129-Q131 VanDerWaalsContact C-N 3.31Å
130	Q	98.4	Very high	98.7	Very high	137 Å²	137	44.4 Å²	44.4	64%	0.64	22%	0.223	S	C	*	.	H	α-helix	trans	-78.8	-20.5	177.1	-64.1	167.6	49.9	0	0	111.8	S126 F127 V128	S126-Q130 WeakPolarHBondContact O-CG 3.49Å; S126-Q130 PolarHBondContact O-NE2 3.05Å; S126-Q130 PolarHBondContact OG-NE2 2.98Å; F127-Q130 WeakPolarHBondContact O-CB 3.21Å; F127-Q130 PolarHBondContact O-N 2.97Å; F127-Q130 VanDerWaalsContact O-N 3.07Å; V128-Q130 PolarHBondContact O-N 2.78Å
131	Q	98.5	Very high	98.7	Very high	46 Å²	46	44.5 Å²	44.5	22%	0.215	22%	0.224	C	C	.	.	H	α-helix	trans	-111	-22.8	-169.2	-58.3	-59.6	-21.1	0	0	114.1	R42 I67 A76 F127 V128 R129	R42-Q131 WeakPolarHBondContact CD-O 3.17Å; R42-Q131 PolarHBondContact NH1-O 3.15Å; I67-Q131 HydrophobicContact CB-CB 4.49Å; I67-Q131 HydrophobicContact CD1-CB 4.24Å; I67-Q131 HydrophobicContact CG1-CB 3.76Å; I67-Q131 HydrophobicContact CG1-CG 4.03Å; I67-Q131 HydrophobicContact CG2-CB 4.32Å; A76-Q131 HydrophobicContact CB-CG 4.3Å; F127-Q131 HydrophobicContact CD2-CG 4.32Å; F127-Q131 HydrophobicContact CE2-CG 3.95Å; F127-Q131 HydrophobicContact CZ-CG 4.12Å; F127-Q131 WeakPolarHBondContact O-CG 3.3Å; F127-Q131 PolarHBondContact O-N 2.84Å; V128-Q131 PolarHBondContact O-N 3.19Å; R129-Q131 VanDerWaalsContact C-N 3.31Å
132	T	98.6	Very high	98.7	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.037	22%	0.223	C	C	.	.	S	Bend	trans	-138.1	143.5	-174.2	62.9	0	0	0	0	112.7	R42 V44 I67 V128 C137 H161	R42-T132 HydrophobicContact CB-CG2 4.38Å; V44-T132 HydrophobicContact CG2-CG2 3.83Å; I67-T132 HydrophobicContact CD1-CG2 4.17Å; V128-T132 PolarHBondContact O-N 2.91Å; V128-T132 PolarHBondContact O-OG1 3.07Å; T132-C137 HydrophobicContact CG2-CB 3.95Å; T132-H161 PolarHBondContact O-CE1 3.09Å; T132-H161 PolarHBondContact O-NE2 3.3Å; T132-H161 PolarHBondContact OG1-CD2 3.27Å; T132-H161 PolarHBondContact OG1-NE2 2.93Å
133	P	98.3	Very high	98.7	Very high	24 Å²	24	39.1 Å²	39.1	16%	0.156	21%	0.211	C	C	.	.			trans	-67.6	139.1	171	25.8	-31.2	0	0	0	110.7	M39 A40 G135 L136	M39-P133 HydrophobicContact CB-CG 4.23Å; A40-P133 HydrophobicContact CB-CG 4.42Å; P133-G135 PolarHBondContact O-N 2.9Å; P133-L136 HydrophobicContact CB-CD1 3.89Å; P133-L136 HydrophobicContact CB-CG 4.39Å; P133-L136 HydrophobicContact CG-CB 4.08Å; P133-L136 HydrophobicContact CG-CD1 3.82Å; P133-L136 HydrophobicContact CG-CG 4.33Å; P133-L136 PolarHBondContact O-N 3.22Å
134	P	98.5	Very high	98.6	Very high	95 Å²	95	35.2 Å²	35.2	62%	0.617	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	130.2	-175.6	25	-34.1	0	0	0	112	L136	P134-L136 VanDerWaalsContact C-N 3.34Å; P134-L136 PolarHBondContact O-N 3.11Å
135	G	98.3	Very high	98.6	Very high	29 Å²	29	39.2 Å²	39.2	30%	0.299	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	2.9	173.1	0	0	0	0	0	115.5	P133 H161 H163	P133-G135 PolarHBondContact O-N 2.9Å; G135-H161 PolarHBondContact N-O 3.26Å; G135-H163 PolarHBondContact O-CD2 3.2Å; G135-H163 VanDerWaalsContact O-CD2 3.24Å
136	L	98.5	Very high	98.6	Very high	88 Å²	88	41 Å²	41	46%	0.461	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-35.1	-172.4	-57.9	-174.1	0	0	0	114.2	A40 P133 P134	A40-L136 HydrophobicContact CB-CB 4.07Å; A40-L136 HydrophobicContact CB-CD1 3.8Å; P133-L136 HydrophobicContact CB-CD1 3.89Å; P133-L136 HydrophobicContact CB-CG 4.39Å; P133-L136 HydrophobicContact CG-CB 4.08Å; P133-L136 HydrophobicContact CG-CD1 3.82Å; P133-L136 HydrophobicContact CG-CG 4.33Å; P133-L136 PolarHBondContact O-N 3.22Å; P134-L136 VanDerWaalsContact C-N 3.34Å; P134-L136 PolarHBondContact O-N 3.11Å
137	C	98.8	Very high	98.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-86.9	129.1	-175.8	-65.9	0	0	0	0	111.7	M39 R42 V44 T132 H163	M39-C137 PolarHBondContact O-SG 3.48Å; R42-C137 WeakPolarHBondContact O-CB 3.29Å; R42-C137 PolarHBondContact O-SG 2.75Å; R42-C137 VanDerWaalsContact O-SG 3.38Å; V44-C137 HydrophobicContact CG2-CB 4.01Å; T132-C137 HydrophobicContact CG2-CB 3.95Å; C137-H163 PolarHBondContact O-N 3.43Å
138	P	98.9	Very high	98.6	Very high	21 Å²	21	40.2 Å²	40.2	14%	0.136	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-76.8	155.7	176.1	33	-35.4	0	0	0	111.7	V44 R165 I167	V44-P138 PolarHBondContact N-O 3.07Å; P138-R165 WeakPolarHBondContact CA-O 3.42Å; P138-R165 WeakPolarHBondContact CB-O 3.25Å; P138-I167 HydrophobicContact CB-CG1 4.29Å; P138-I167 HydrophobicContact CG-CD1 3.69Å; P138-I167 HydrophobicContact CG-CG1 3.91Å
139	L	98.9	Very high	98.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	140.3	168.6	-162.3	152.4	0	0	0	109.5	V44 V46 V144 L151 M159 L162 I166 I167	V44-L139 CarbonylContact O-C 3.48Å; V44-L139 WeakPolarHBondContact O-CA 3.44Å; V46-L139 HydrophobicContact CB-CD2 4.45Å; L139-V144 HydrophobicContact CD2-CB 3.92Å; L139-V144 HydrophobicContact CD2-CG1 3.67Å; L139-V144 HydrophobicContact CD2-CG2 3.04Å; L139-L151 HydrophobicContact CD1-CD1 3.56Å; L139-M159 HydrophobicContact CD1-CE 4.19Å; L139-M159 HydrophobicContact CD1-SD 3.78Å; L139-L162 HydrophobicContact CB-CD1 4.18Å; L139-L162 HydrophobicContact CD1-CD1 3.91Å; L139-L162 HydrophobicContact CG-CD1 4.3Å; L139-I166 HydrophobicContact CB-CG2 4.34Å; L139-I166 CarbonylContact O-C 3.08Å; L139-I166 VanDerWaalsContact O-CA 3.23Å; L139-I166 WeakPolarHBondContact O-CA 3.22Å; L139-I167 PolarHBondContact O-N 3.14Å
140	A	98.9	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.1	-177.2	0	0	0	0	0	112.1	M43 V44 W45 V46 I167	M43-A140 HydrophobicContact CB-CB 4.09Å; V44-A140 PolarHBondContact O-N 3.43Å; W45-A140 VanDerWaalsContact CA-O 3.28Å; W45-A140 WeakPolarHBondContact CA-O 3.09Å; W45-A140 HydrophobicContact CD2-CB 3.71Å; W45-A140 HydrophobicContact CE3-CB 4.1Å; W45-A140 HydrophobicContact CG-CB 4.02Å; W45-A140 HydrophobicContact CZ2-CB 4.14Å; W45-A140 HydrophobicContact CZ3-CB 4.49Å; V46-A140 PolarHBondContact N-O 3.23Å; V46-A140 VanDerWaalsContact N-O 3.07Å; A140-I167 WeakPolarHBondContact CA-O 3.32Å; A140-I167 HydrophobicContact CB-CB 4.05Å
141	G	98.7	Very high	98.6	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.6	-179.2	-179.8	0	0	0	0	0	112.3	I167 D168 V169	G141-I167 PolarHBondContact N-O 3.31Å; G141-D168 WeakPolarHBondContact O-CA 3.44Å; G141-V169 PolarHBondContact O-N 3.42Å
142	N	98.6	Very high	98.7	Very high	18 Å²	18	32.2 Å²	32.2	10%	0.096	18%	0.181	C	C	.	.	S	Bend	trans	-86.8	127.7	171.7	-92.9	112.1	0	0	0	110.6	V144 V169 S170 K173 K190 S203 E206	N142-V144 PolarHBondContact O-N 3.1Å; N142-V144 VanDerWaalsContact O-N 3.17Å; N142-V169 WeakPolarHBondContact ND2-CB 3.41Å; N142-S170 PolarHBondContact ND2-N 3.03Å; N142-S170 PolarHBondContact ND2-OG 3.07Å; N142-K173 PolarHBondContact ND2-NZ 2.75Å; N142-K190 PolarHBondContact OD1-NZ 3.23Å; N142-S203 WeakPolarHBondContact OD1-CA 3.46Å; N142-S203 VanDerWaalsContact OD1-CB 3.22Å; N142-S203 WeakPolarHBondContact OD1-CB 3.43Å; N142-S203 PolarHBondContact OD1-OG 3.06Å; N142-E206 PolarHBondContact ND2-OE1 3.43Å; N142-E206 PolarHBondContact OD1-OE2 2.92Å
143	S	98.3	Very high	98.7	Very high	52 Å²	52	35.8 Å²	35.8	36%	0.364	20%	0.196	S	C	.	.	S	Bend	trans	56	31.7	179.3	-53.5	0	0	0	0	112.5	H145 E146 D168 S170	S143-H145 PolarHBondContact O-N 3.02Å; S143-E146 PolarHBondContact O-N 3.35Å; S143-D168 WeakPolarHBondContact CA-OD1 3.49Å; S143-D168 PolarHBondContact N-OD1 2.87Å; S143-S170 PolarHBondContact N-OG 3.03Å; S143-S170 WeakPolarHBondContact OG-CB 3.37Å; S143-S170 PolarHBondContact OG-OG 2.99Å
144	V	98.6	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-1.8	-162.6	88.2	0	0	0	0	114.5	L139 N142 D147 K148 I166	L139-V144 HydrophobicContact CD2-CB 3.92Å; L139-V144 HydrophobicContact CD2-CG1 3.67Å; L139-V144 HydrophobicContact CD2-CG2 3.04Å; N142-V144 PolarHBondContact O-N 3.1Å; N142-V144 VanDerWaalsContact O-N 3.17Å; V144-D147 VanDerWaalsContact CA-OD2 3.3Å; V144-D147 WeakPolarHBondContact CA-OD2 3.48Å; V144-D147 HydrophobicContact CG2-CB 3.98Å; V144-D147 VanDerWaalsContact CG2-OD2 3.3Å; V144-D147 WeakPolarHBondContact CG2-OD2 3.33Å; V144-K148 VanDerWaalsContact O-CB 3.3Å; V144-K148 WeakPolarHBondContact O-CB 3.35Å; V144-K148 PolarHBondContact O-N 3.49Å; V144-I166 HydrophobicContact CG1-CB 3.87Å; V144-I166 HydrophobicContact CG1-CD1 4.11Å; V144-I166 HydrophobicContact CG1-CG1 4.46Å; V144-I166 HydrophobicContact CG1-CG2 4.24Å
145	H	98.7	Very high	98.7	Very high	85 Å²	85	31.8 Å²	31.8	39%	0.394	17%	0.166	S	C	.	.	H	α-helix	trans	-64.5	-29.9	166.6	58.9	82.3	0	0	0	112.2	S143 K149 I166 D168	S143-H145 PolarHBondContact O-N 3.02Å; H145-K149 PolarHBondContact O-N 3.29Å; H145-K149 VanDerWaalsContact O-N 3.11Å; H145-I166 HydrophobicContact CB-CD1 3.82Å; H145-D168 IonicContact CD2-OD2 2.68Å; H145-D168 PolarHBondContact CD2-OD2 3.43Å; H145-D168 IonicContact NE2-OD2 3.56Å
146	E	98.6	Very high	98.8	Very high	48 Å²	48	33.3 Å²	33.3	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-71.5	-46.1	173.9	-69	-51.8	122	0	0	111.1	S143 K148 K149 F150	S143-E146 PolarHBondContact O-N 3.35Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 3.34Å; E146-K149 VanDerWaalsContact O-CB 3.29Å; E146-K149 WeakPolarHBondContact O-CB 3.34Å; E146-K149 PolarHBondContact O-N 3.35Å; E146-K149 VanDerWaalsContact O-N 3.1Å; E146-K149 IonicContact OE1-NZ 3.04Å; E146-K149 PolarHBondContact OE1-NZ 3.4Å; E146-K149 IonicContact OE2-NZ 3.06Å; E146-K149 PolarHBondContact OE2-NZ 3.1Å; E146-F150 PolarHBondContact O-N 3.09Å
147	D	98.8	Very high	98.8	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.053	17%	0.17	C	C	.	.	H	α-helix	trans	-58.3	-47.2	174.2	-54.4	-73.1	0	0	0	110.9	L48 V144 K149 F150 L151	L48-D147 VanDerWaalsContact CB-OD1 3.25Å; L48-D147 WeakPolarHBondContact CB-OD1 3.48Å; L48-D147 HydrophobicContact CD1-CB 4.02Å; L48-D147 HydrophobicContact CG-CB 4.02Å; L48-D147 WeakPolarHBondContact CG-OD1 3.37Å; L48-D147 PolarHBondContact N-OD1 3.42Å; L48-D147 VanDerWaalsContact N-OD1 3.11Å; V144-D147 VanDerWaalsContact CA-OD2 3.3Å; V144-D147 WeakPolarHBondContact CA-OD2 3.48Å; V144-D147 HydrophobicContact CG2-CB 3.98Å; V144-D147 VanDerWaalsContact CG2-OD2 3.3Å; V144-D147 WeakPolarHBondContact CG2-OD2 3.33Å; D147-K149 PolarHBondContact O-N 2.71Å; D147-F150 PolarHBondContact O-N 3.32Å; D147-F150 VanDerWaalsContact O-N 3.07Å; D147-L151 VanDerWaalsContact O-CG 3.31Å; D147-L151 WeakPolarHBondContact O-CG 3.37Å; D147-L151 PolarHBondContact O-N 3.38Å
148	K	98.8	Very high	98.8	Very high	37 Å²	37	33.7 Å²	33.7	16%	0.161	17%	0.17	C	C	.	.	H	α-helix	trans	-56.5	-38.5	177.6	-171.9	-177.8	-174.5	-46.5	0	112	V144 E146 F150 L151 D152 M159 I166	V144-K148 VanDerWaalsContact O-CB 3.3Å; V144-K148 WeakPolarHBondContact O-CB 3.35Å; V144-K148 PolarHBondContact O-N 3.49Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 3.34Å; K148-F150 VanDerWaalsContact C-N 3.34Å; K148-F150 PolarHBondContact O-N 3.32Å; K148-L151 PolarHBondContact O-N 2.98Å; K148-D152 IonicContact NZ-OD1 3.12Å; K148-D152 PolarHBondContact NZ-OD1 3.23Å; K148-D152 IonicContact NZ-OD2 2.65Å; K148-D152 PolarHBondContact NZ-OD2 3.37Å; K148-D152 WeakPolarHBondContact O-CB 3.38Å; K148-D152 VanDerWaalsContact O-CG 3.22Å; K148-D152 PolarHBondContact O-N 3.38Å; K148-M159 HydrophobicContact CD-CE 4.19Å; K148-M159 HydrophobicContact CG-CE 3.73Å; K148-I166 HydrophobicContact CD-CG2 3.71Å
149	K	98.8	Very high	98.8	Very high	84 Å²	84	33.4 Å²	33.4	37%	0.365	17%	0.167	S	C	.	.	H	α-helix	trans	-60.3	-43.7	177.8	-173.9	-169.2	-61.2	162.3	0	111.4	I55 H145 E146 D147	I55-K149 HydrophobicContact CB-CD 4.16Å; I55-K149 HydrophobicContact CD1-CD 4.44Å; I55-K149 HydrophobicContact CD1-CG 4.05Å; I55-K149 HydrophobicContact CG1-CD 4.25Å; I55-K149 HydrophobicContact CG1-CG 4.06Å; H145-K149 PolarHBondContact O-N 3.29Å; H145-K149 VanDerWaalsContact O-N 3.11Å; E146-K149 VanDerWaalsContact O-CB 3.29Å; E146-K149 WeakPolarHBondContact O-CB 3.34Å; E146-K149 PolarHBondContact O-N 3.35Å; E146-K149 VanDerWaalsContact O-N 3.1Å; E146-K149 IonicContact OE1-NZ 3.04Å; E146-K149 PolarHBondContact OE1-NZ 3.4Å; E146-K149 IonicContact OE2-NZ 3.06Å; E146-K149 PolarHBondContact OE2-NZ 3.1Å; D147-K149 PolarHBondContact O-N 2.71Å
150	F	98.9	Very high	98.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69	-44.6	175.2	-82.4	-99.7	0	0	0	111.8	L48 M50 I55 D58 I60 E146 D147 K148 D152 K153 Y154	L48-F150 HydrophobicContact CD1-CB 4.04Å; M50-F150 HydrophobicContact CB-CE1 4.27Å; M50-F150 HydrophobicContact CB-CZ 4.31Å; M50-F150 HydrophobicContact CE-CD2 4.1Å; M50-F150 HydrophobicContact CE-CE2 3.97Å; M50-F150 HydrophobicContact CG-CD1 3.88Å; M50-F150 HydrophobicContact CG-CD2 4.24Å; M50-F150 HydrophobicContact CG-CE1 3.85Å; M50-F150 HydrophobicContact CG-CE2 4.22Å; M50-F150 HydrophobicContact CG-CG 4.08Å; M50-F150 HydrophobicContact CG-CZ 4.03Å; I55-F150 HydrophobicContact CD1-CB 4.39Å; I55-F150 HydrophobicContact CD1-CD1 3.93Å; I55-F150 HydrophobicContact CD1-CD2 3.88Å; I55-F150 HydrophobicContact CD1-CE1 4.12Å; I55-F150 HydrophobicContact CD1-CE2 4.07Å; I55-F150 HydrophobicContact CD1-CG 3.8Å; I55-F150 HydrophobicContact CD1-CZ 4.19Å; D58-F150 HydrophobicContact CB-CE1 4.02Å; D58-F150 HydrophobicContact CB-CZ 4Å; D58-F150 WeakPolarHBondContact O-CE1 3.36Å; I60-F150 HydrophobicContact CD1-CB 4.22Å; I60-F150 HydrophobicContact CG1-CB 4.17Å; I60-F150 HydrophobicContact CG1-CD1 4.11Å; E146-F150 PolarHBondContact O-N 3.09Å; D147-F150 PolarHBondContact O-N 3.32Å; D147-F150 VanDerWaalsContact O-N 3.07Å; K148-F150 VanDerWaalsContact C-N 3.34Å; K148-F150 PolarHBondContact O-N 3.32Å; F150-D152 PolarHBondContact O-N 3.37Å; F150-K153 PolarHBondContact O-N 2.8Å; F150-Y154 HydrophobicContact CB-CD2 4.28Å; F150-Y154 AromaticContact CD1-CD2 3.75Å; F150-Y154 HydrophobicContact CD1-CD2 3.75Å; F150-Y154 AromaticContact CD1-CE2 3.59Å; F150-Y154 HydrophobicContact CD1-CE2 3.59Å; F150-Y154 HydrophobicContact CE1-CE2 4.03Å; F150-Y154 HydrophobicContact CG-CD2 4.41Å; F150-Y154 WeakPolarHBondContact O-CB 3.39Å; F150-Y154 WeakPolarHBondContact O-CD2 3.45Å; F150-Y154 PolarHBondContact O-N 2.64Å
151	L	98.9	Very high	98.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-39.2	-179.7	-64.9	165.7	0	0	0	112.5	V46 L48 I60 M63 L139 D147 K148 K153 M155 F158 M159	V46-L151 HydrophobicContact CG1-CD1 4.15Å; L48-L151 HydrophobicContact CD1-CD1 4.49Å; L48-L151 HydrophobicContact CD1-CD2 4.13Å; L48-L151 HydrophobicContact CD1-CG 3.97Å; L48-L151 HydrophobicContact CD2-CD2 4.37Å; I60-L151 HydrophobicContact CD1-CD2 4.44Å; M63-L151 HydrophobicContact CE-CD2 3.97Å; M63-L151 HydrophobicContact SD-CD2 4Å; L139-L151 HydrophobicContact CD1-CD1 3.56Å; D147-L151 VanDerWaalsContact O-CG 3.31Å; D147-L151 WeakPolarHBondContact O-CG 3.37Å; D147-L151 PolarHBondContact O-N 3.38Å; K148-L151 PolarHBondContact O-N 2.98Å; L151-K153 PolarHBondContact O-N 3.37Å; L151-M155 HydrophobicContact CD2-CB 3.98Å; L151-M155 HydrophobicContact CD2-CG 4.12Å; L151-M155 HydrophobicContact CD2-SD 3.8Å; L151-M155 CarbonylContact O-C 3.6Å; L151-M155 VanDerWaalsContact O-CA 3.28Å; L151-M155 WeakPolarHBondContact O-CA 3.22Å; L151-M155 PolarHBondContact O-N 2.91Å; L151-F158 HydrophobicContact CD1-CD1 4.47Å; L151-F158 HydrophobicContact CD1-CE1 4.2Å; L151-F158 HydrophobicContact CD2-CD1 4.32Å; L151-M159 HydrophobicContact CB-CG 3.52Å; L151-M159 HydrophobicContact CB-SD 3.57Å; L151-M159 VanDerWaalsContact CB-SD 3.57Å; L151-M159 HydrophobicContact CD1-SD 3.98Å; L151-M159 HydrophobicContact CG-SD 4.4Å
152	D	98.8	Very high	98.8	Very high	78 Å²	78	42.2 Å²	42.2	42%	0.417	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-34.7	176.2	-76.3	-19.2	0	0	0	111.5	K148 F150 M159	K148-D152 IonicContact NZ-OD1 3.12Å; K148-D152 PolarHBondContact NZ-OD1 3.23Å; K148-D152 IonicContact NZ-OD2 2.65Å; K148-D152 PolarHBondContact NZ-OD2 3.37Å; K148-D152 WeakPolarHBondContact O-CB 3.38Å; K148-D152 VanDerWaalsContact O-CG 3.22Å; K148-D152 PolarHBondContact O-N 3.38Å; F150-D152 PolarHBondContact O-N 3.37Å; D152-M159 WeakPolarHBondContact OD1-CG 2.99Å
153	K	98.8	Very high	98.8	Very high	80 Å²	80	43.6 Å²	43.6	35%	0.348	21%	0.211	S	C	.	.	H	α-helix	trans	-84.4	-46.3	179.6	-175.1	171.2	-175.9	171.6	0	112.9	I55 E56 F150 L151	I55-K153 HydrophobicContact CD1-CB 4.31Å; I55-K153 HydrophobicContact CD1-CD 3.97Å; I55-K153 HydrophobicContact CG1-CD 3.77Å; I55-K153 PolarHBondContact O-NZ 2.87Å; E56-K153 IonicContact OE1-NZ 3.33Å; E56-K153 PolarHBondContact OE1-NZ 3.4Å; E56-K153 IonicContact OE2-NZ 2.69Å; E56-K153 PolarHBondContact OE2-NZ 2.98Å; F150-K153 PolarHBondContact O-N 2.8Å; L151-K153 PolarHBondContact O-N 3.37Å
154	Y	98.9	Very high	98.8	Very high	35 Å²	35	48.6 Å²	48.6	14%	0.137	22%	0.223	C	C	.	.	H	α-helix	trans	-104.7	-21.9	-165.9	-65.5	-60.6	0	0	0	114.2	I55 D58 Q59 I60 L117 F150 P156	I55-Y154 HydrophobicContact CD1-CE2 4.01Å; I55-Y154 PolarHBondContact O-OH 3.35Å; I55-Y154 VanDerWaalsContact O-OH 3.1Å; D58-Y154 PolarHBondContact O-OH 2.73Å; Q59-Y154 PolarHBondContact NE2-OH 3.19Å; I60-Y154 HydrophobicContact CD1-CD2 4.48Å; I60-Y154 HydrophobicContact CG1-CD2 4.44Å; L117-Y154 HydrophobicContact CD2-CD1 4.32Å; F150-Y154 HydrophobicContact CB-CD2 4.28Å; F150-Y154 AromaticContact CD1-CD2 3.75Å; F150-Y154 HydrophobicContact CD1-CD2 3.75Å; F150-Y154 AromaticContact CD1-CE2 3.59Å; F150-Y154 HydrophobicContact CD1-CE2 3.59Å; F150-Y154 HydrophobicContact CE1-CE2 4.03Å; F150-Y154 HydrophobicContact CG-CD2 4.41Å; F150-Y154 WeakPolarHBondContact O-CB 3.39Å; F150-Y154 WeakPolarHBondContact O-CD2 3.45Å; F150-Y154 PolarHBondContact O-N 2.64Å; Y154-P156 VanDerWaalsContact C-CD 3.43Å
155	M	98.9	Very high	98.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	25%	0.251	C	S	.	.			trans	-130.9	56.8	176.2	-62	-164.1	-179.7	0	0	112	I60 M63 I83 L117 A120 E121 L151 Q157 F158 M159	I60-M155 HydrophobicContact CD1-CE 4.32Å; I60-M155 HydrophobicContact CD1-CG 4.47Å; M63-M155 HydrophobicContact CE-SD 4.36Å; M63-M155 HydrophobicContact SD-CE 3.8Å; M63-M155 HydrophobicContact SD-SD 3.6Å; I83-M155 HydrophobicContact CD1-CE 3.8Å; L117-M155 HydrophobicContact CD1-CE 3.56Å; L117-M155 HydrophobicContact CD1-CG 4.22Å; A120-M155 HydrophobicContact CB-CE 4.09Å; E121-M155 HydrophobicContact CB-CB 4.36Å; E121-M155 HydrophobicContact CB-CG 3.96Å; E121-M155 HydrophobicContact CB-SD 4.06Å; E121-M155 HydrophobicContact CG-CB 3.93Å; E121-M155 HydrophobicContact CG-CG 4.11Å; E121-M155 HydrophobicContact CG-SD 4.44Å; E121-M155 WeakPolarHBondContact OE1-CA 3.48Å; L151-M155 HydrophobicContact CD2-CB 3.98Å; L151-M155 HydrophobicContact CD2-CG 4.12Å; L151-M155 HydrophobicContact CD2-SD 3.8Å; L151-M155 CarbonylContact O-C 3.6Å; L151-M155 VanDerWaalsContact O-CA 3.28Å; L151-M155 WeakPolarHBondContact O-CA 3.22Å; L151-M155 PolarHBondContact O-N 2.91Å; M155-Q157 VanDerWaalsContact C-N 3.29Å; M155-Q157 PolarHBondContact O-N 3.17Å; M155-F158 HydrophobicContact CB-CB 4.02Å; M155-F158 WeakPolarHBondContact O-CB 3.49Å; M155-F158 PolarHBondContact O-N 2.81Å; M155-M159 PolarHBondContact O-N 3.03Å; M155-M159 VanDerWaalsContact O-N 3.12Å
156	P	98.8	Very high	98.8	Very high	61 Å²	61	54.9 Å²	54.9	40%	0.396	25%	0.247	S	C	.	.	H	α-helix	trans	-65.7	-27.2	-171.7	27.7	-36.3	0	0	0	113.8	E121 Y154 K160	E121-P156 VanDerWaalsContact OE1-N 3.17Å; Y154-P156 VanDerWaalsContact C-CD 3.43Å; P156-K160 WeakPolarHBondContact O-CB 3.45Å; P156-K160 PolarHBondContact O-N 2.94Å
157	Q	98.8	Very high	98.8	Very high	96 Å²	96	54.9 Å²	54.9	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-74.4	-35.2	177.1	-58.8	-56.6	-43.8	0	0	111.4	E121 L125 M155	E121-Q157 WeakPolarHBondContact OE1-CA 3.36Å; E121-Q157 WeakPolarHBondContact OE1-CB 3.23Å; E121-Q157 PolarHBondContact OE1-N 2.93Å; L125-Q157 HydrophobicContact CD2-CB 3.82Å; M155-Q157 VanDerWaalsContact C-N 3.29Å; M155-Q157 PolarHBondContact O-N 3.17Å
158	F	98.9	Very high	98.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-52.1	169.4	178.3	-97.8	0	0	0	110.6	V44 V46 M63 E121 F124 V128 L151 M155 K160 H161 L162	V44-F158 HydrophobicContact CG1-CZ 4.17Å; V46-F158 HydrophobicContact CG2-CE1 4.33Å; V46-F158 HydrophobicContact CG2-CZ 4.05Å; M63-F158 HydrophobicContact CE-CD1 4.49Å; M63-F158 HydrophobicContact CE-CE1 4.02Å; M63-F158 HydrophobicContact CE-CE2 4.27Å; M63-F158 HydrophobicContact CE-CZ 3.9Å; E121-F158 HydrophobicContact CG-CB 4.3Å; E121-F158 PolarHBondContact OE1-N 2.99Å; F124-F158 HydrophobicContact CB-CD2 3.78Å; F124-F158 HydrophobicContact CB-CE2 3.8Å; V128-F158 HydrophobicContact CB-CE2 4.41Å; V128-F158 HydrophobicContact CG1-CE2 3.6Å; V128-F158 HydrophobicContact CG1-CZ 4.18Å; V128-F158 HydrophobicContact CG2-CD2 4.12Å; V128-F158 HydrophobicContact CG2-CE2 3.92Å; L151-F158 HydrophobicContact CD1-CD1 4.47Å; L151-F158 HydrophobicContact CD1-CE1 4.2Å; L151-F158 HydrophobicContact CD2-CD1 4.32Å; M155-F158 HydrophobicContact CB-CB 4.02Å; M155-F158 WeakPolarHBondContact O-CB 3.49Å; M155-F158 PolarHBondContact O-N 2.81Å; F158-K160 VanDerWaalsContact C-N 3.31Å; F158-K160 PolarHBondContact O-N 3.29Å; F158-H161 WeakPolarHBondContact O-CB 3.49Å; F158-H161 PolarHBondContact O-N 2.89Å; F158-L162 HydrophobicContact CD1-CD1 4.16Å; F158-L162 HydrophobicContact CE1-CD1 3.52Å; F158-L162 HydrophobicContact CE1-CG 4.44Å; F158-L162 HydrophobicContact CZ-CD1 3.91Å
159	M	98.8	Very high	98.8	Very high	15 Å²	15	53.4 Å²	53.4	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-32	-179	-71.6	-53.2	-54.1	0	0	113.9	L139 K148 L151 D152 M155 H161 L162	L139-M159 HydrophobicContact CD1-CE 4.19Å; L139-M159 HydrophobicContact CD1-SD 3.78Å; K148-M159 HydrophobicContact CD-CE 4.19Å; K148-M159 HydrophobicContact CG-CE 3.73Å; L151-M159 HydrophobicContact CB-CG 3.52Å; L151-M159 HydrophobicContact CB-SD 3.57Å; L151-M159 VanDerWaalsContact CB-SD 3.57Å; L151-M159 HydrophobicContact CD1-SD 3.98Å; L151-M159 HydrophobicContact CG-SD 4.4Å; D152-M159 WeakPolarHBondContact OD1-CG 2.99Å; M155-M159 PolarHBondContact O-N 3.03Å; M155-M159 VanDerWaalsContact O-N 3.12Å; M159-H161 PolarHBondContact O-N 2.83Å; M159-L162 HydrophobicContact CE-CD1 4.48Å; M159-L162 PolarHBondContact O-N 2.61Å; M159-L162 HydrophobicContact SD-CD1 4.15Å
160	K	98.8	Very high	98.8	Very high	163 Å²	163	50.1 Å²	50.1	71%	0.709	23%	0.229	S	C	*	.	H	α-helix	trans	-61.6	-24.9	174.7	-174.9	176.8	177.1	-178.4	0	113.2	P156 F158	P156-K160 WeakPolarHBondContact O-CB 3.45Å; P156-K160 PolarHBondContact O-N 2.94Å; F158-K160 VanDerWaalsContact C-N 3.31Å; F158-K160 PolarHBondContact O-N 3.29Å
161	H	98.9	Very high	98.8	Very high	14 Å²	14	53.8 Å²	53.8	7%	0.065	25%	0.252	C	S	.	.	H	α-helix	trans	-79.9	-18.4	175.3	-170.2	82.5	0	0	0	112.6	L125 T132 G135 F158 M159	L125-H161 HydrophobicContact CD1-CB 3.87Å; T132-H161 PolarHBondContact O-CE1 3.09Å; T132-H161 PolarHBondContact O-NE2 3.3Å; T132-H161 PolarHBondContact OG1-CD2 3.27Å; T132-H161 PolarHBondContact OG1-NE2 2.93Å; G135-H161 PolarHBondContact N-O 3.26Å; F158-H161 WeakPolarHBondContact O-CB 3.49Å; F158-H161 PolarHBondContact O-N 2.89Å; M159-H161 PolarHBondContact O-N 2.83Å
162	L	98.8	Very high	98.8	Very high	10 Å²	10	55 Å²	55	5%	0.052	26%	0.259	C	S	.	.	S	Bend	trans	-97.5	160.4	-176.5	-55.8	-172.5	0	0	0	112	V44 L139 F158 M159	V44-L162 HydrophobicContact CB-CD1 4.43Å; V44-L162 HydrophobicContact CB-CD2 4.12Å; V44-L162 HydrophobicContact CG1-CD1 4.26Å; V44-L162 HydrophobicContact CG1-CD2 4.2Å; V44-L162 HydrophobicContact CG2-CD2 3.66Å; L139-L162 HydrophobicContact CB-CD1 4.18Å; L139-L162 HydrophobicContact CD1-CD1 3.91Å; L139-L162 HydrophobicContact CG-CD1 4.3Å; F158-L162 HydrophobicContact CD1-CD1 4.16Å; F158-L162 HydrophobicContact CE1-CD1 3.52Å; F158-L162 HydrophobicContact CE1-CG 4.44Å; F158-L162 HydrophobicContact CZ-CD1 3.91Å; M159-L162 HydrophobicContact CE-CD1 4.48Å; M159-L162 PolarHBondContact O-N 2.61Å; M159-L162 HydrophobicContact SD-CD1 4.15Å
163	H	98.8	Very high	98.8	Very high	47 Å²	47	53.4 Å²	53.4	22%	0.218	25%	0.248	C	C	.	.			trans	-71.7	152.2	170.9	-166.3	-85.5	0	0	0	110.3	G135 C137 R165	G135-H163 PolarHBondContact O-CD2 3.2Å; G135-H163 VanDerWaalsContact O-CD2 3.24Å; C137-H163 PolarHBondContact O-N 3.43Å; H163-R165 WeakPolarHBondContact ND1-CB 3.18Å; H163-R165 PolarHBondContact ND1-N 3.02Å; H163-R165 VanDerWaalsContact ND1-N 3.11Å; H163-R165 PolarHBondContact O-N 3.38Å
164	Y	98.4	Very high	98.8	Very high	157 Å²	157	52.9 Å²	52.9	62%	0.616	25%	0.247	S	C	*	.	S	Bend	trans	-69.2	-14.2	-179.3	75.1	-91.2	0	0	0	114.5
165	R	98.8	Very high	98.8	Very high	159 Å²	159	54.2 Å²	54.2	60%	0.6	26%	0.257	S	S	*	.			trans	-87.4	155.9	-179.1	-73.6	177.7	177.4	171.2	-3.7	109.2	P138 H163	P138-R165 WeakPolarHBondContact CA-O 3.42Å; P138-R165 WeakPolarHBondContact CB-O 3.25Å; H163-R165 WeakPolarHBondContact ND1-CB 3.18Å; H163-R165 PolarHBondContact ND1-N 3.02Å; H163-R165 VanDerWaalsContact ND1-N 3.11Å; H163-R165 PolarHBondContact O-N 3.38Å
166	I	98.9	Very high	98.8	Very high	58 Å²	58	54.2 Å²	54.2	30%	0.297	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	154.9	174.2	64.4	177.7	0	0	0	110.8	L139 V144 H145 K148 D168	L139-I166 HydrophobicContact CB-CG2 4.34Å; L139-I166 CarbonylContact O-C 3.08Å; L139-I166 VanDerWaalsContact O-CA 3.23Å; L139-I166 WeakPolarHBondContact O-CA 3.22Å; V144-I166 HydrophobicContact CG1-CB 3.87Å; V144-I166 HydrophobicContact CG1-CD1 4.11Å; V144-I166 HydrophobicContact CG1-CG1 4.46Å; V144-I166 HydrophobicContact CG1-CG2 4.24Å; H145-I166 HydrophobicContact CB-CD1 3.82Å; K148-I166 HydrophobicContact CD-CG2 3.71Å; I166-D168 HydrophobicContact CD1-CB 4.17Å; I166-D168 HydrophobicContact CG1-CB 4.43Å
167	I	98.9	Very high	98.8	Very high	48 Å²	48	56.2 Å²	56.2	25%	0.246	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	94.8	166	-60.2	178	0	0	0	106.7	M43 P138 L139 A140 G141 L207	M43-I167 HydrophobicContact CE-CD1 3.68Å; M43-I167 HydrophobicContact CG-CD1 3.73Å; M43-I167 HydrophobicContact SD-CD1 3.49Å; M43-I167 WeakPolarHBondContact SD-CD1 3.43Å; P138-I167 HydrophobicContact CB-CG1 4.29Å; P138-I167 HydrophobicContact CG-CD1 3.69Å; P138-I167 HydrophobicContact CG-CG1 3.91Å; L139-I167 PolarHBondContact O-N 3.14Å; A140-I167 WeakPolarHBondContact CA-O 3.32Å; A140-I167 HydrophobicContact CB-CB 4.05Å; G141-I167 PolarHBondContact N-O 3.31Å; I167-L207 HydrophobicContact CG2-CD2 4.21Å
168	D	98.8	Very high	98.7	Very high	17 Å²	17	58.2 Å²	58.2	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	110.4	-178.5	-174.9	-4.8	0	0	0	110.8	G141 S143 H145 I166 S170 T171	G141-D168 WeakPolarHBondContact O-CA 3.44Å; S143-D168 WeakPolarHBondContact CA-OD1 3.49Å; S143-D168 PolarHBondContact N-OD1 2.87Å; H145-D168 IonicContact CD2-OD2 2.68Å; H145-D168 PolarHBondContact CD2-OD2 3.43Å; H145-D168 IonicContact NE2-OD2 3.56Å; I166-D168 HydrophobicContact CD1-CB 4.17Å; I166-D168 HydrophobicContact CG1-CB 4.43Å; D168-S170 PolarHBondContact O-N 3.09Å; D168-S170 WeakPolarHBondContact OD1-CA 3.31Å; D168-S170 VanDerWaalsContact OD1-CB 3.23Å; D168-S170 WeakPolarHBondContact OD1-CB 3.33Å; D168-S170 PolarHBondContact OD1-N 3.28Å; D168-T171 WeakPolarHBondContact O-CB 3.22Å; D168-T171 PolarHBondContact O-N 2.85Å; D168-T171 VanDerWaalsContact O-N 3.15Å
169	V	98.8	Very high	98.7	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-32.6	177.8	-177.2	0	0	0	0	110.9	W45 G141 N142 T171 V172 K173 E206 L207 Y210	W45-V169 HydrophobicContact CH2-CG2 3.81Å; W45-V169 HydrophobicContact CZ3-CG2 3.8Å; G141-V169 PolarHBondContact O-N 3.42Å; N142-V169 WeakPolarHBondContact ND2-CB 3.41Å; V169-T171 VanDerWaalsContact C-N 3.26Å; V169-T171 PolarHBondContact O-N 2.96Å; V169-V172 PolarHBondContact O-N 3.41Å; V169-V172 VanDerWaalsContact O-N 3.1Å; V169-K173 PolarHBondContact O-N 2.69Å; V169-E206 HydrophobicContact CG1-CB 4.16Å; V169-E206 HydrophobicContact CG1-CG 3.94Å; V169-L207 HydrophobicContact CG1-CB 4.04Å; V169-L207 HydrophobicContact CG1-CD1 4.43Å; V169-L207 HydrophobicContact CG2-CB 3.91Å; V169-L207 HydrophobicContact CG2-CD1 4.36Å; V169-L207 HydrophobicContact CG2-CD2 4.16Å; V169-L207 HydrophobicContact CG2-CG 4.36Å; V169-Y210 HydrophobicContact CG1-CD2 4.45Å; V169-Y210 HydrophobicContact CG1-CE2 4.17Å
170	S	98.5	Very high	98.7	Very high	14 Å²	14	69.8 Å²	69.8	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-28.4	178.1	-62.7	0	0	0	0	112.6	N142 S143 D168 K173 E174	N142-S170 PolarHBondContact ND2-N 3.03Å; N142-S170 PolarHBondContact ND2-OG 3.07Å; S143-S170 PolarHBondContact N-OG 3.03Å; S143-S170 WeakPolarHBondContact OG-CB 3.37Å; S143-S170 PolarHBondContact OG-OG 2.99Å; D168-S170 PolarHBondContact O-N 3.09Å; D168-S170 WeakPolarHBondContact OD1-CA 3.31Å; D168-S170 VanDerWaalsContact OD1-CB 3.23Å; D168-S170 WeakPolarHBondContact OD1-CB 3.33Å; D168-S170 PolarHBondContact OD1-N 3.28Å; S170-K173 WeakPolarHBondContact O-CB 3.48Å; S170-K173 PolarHBondContact O-N 2.98Å; S170-E174 WeakPolarHBondContact O-CB 3.45Å; S170-E174 WeakPolarHBondContact O-CG 3.31Å; S170-E174 PolarHBondContact O-N 3.4Å
171	T	98.9	Very high	98.7	Very high	78 Å²	78	65.4 Å²	65.4	48%	0.479	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-48.4	170	-70.5	0	0	0	0	110.6	D168 V169 K173 E174 L175	D168-T171 WeakPolarHBondContact O-CB 3.22Å; D168-T171 PolarHBondContact O-N 2.85Å; D168-T171 VanDerWaalsContact O-N 3.15Å; V169-T171 VanDerWaalsContact C-N 3.26Å; V169-T171 PolarHBondContact O-N 2.96Å; T171-K173 PolarHBondContact O-N 3.21Å; T171-E174 PolarHBondContact O-N 2.88Å; T171-L175 HydrophobicContact CG2-CD1 4.5Å; T171-L175 WeakPolarHBondContact O-CG 3.49Å; T171-L175 PolarHBondContact O-N 2.79Å; T171-L175 VanDerWaalsContact O-N 3.11Å
172	V	98.8	Very high	98.6	Very high	25 Å²	25	72 Å²	72	15%	0.152	32%	0.322	C	S	.	.	H	α-helix	trans	-66.4	-39.6	-179.9	-174.9	0	0	0	0	111.2	V169 E174 L175 C176 L207 Y210 I214 F215	V169-V172 PolarHBondContact O-N 3.41Å; V169-V172 VanDerWaalsContact O-N 3.1Å; V172-E174 PolarHBondContact O-N 2.9Å; V172-L175 PolarHBondContact O-N 3.01Å; V172-C176 WeakPolarHBondContact O-CB 3.27Å; V172-C176 PolarHBondContact O-N 3.29Å; V172-L207 HydrophobicContact CB-CD1 4.45Å; V172-L207 HydrophobicContact CG2-CD1 4.1Å; V172-Y210 HydrophobicContact CB-CD2 3.97Å; V172-Y210 HydrophobicContact CB-CE2 4.48Å; V172-Y210 HydrophobicContact CG1-CD2 3.59Å; V172-Y210 HydrophobicContact CG1-CE2 4.42Å; V172-Y210 HydrophobicContact CG1-CG 3.71Å; V172-I214 HydrophobicContact CG1-CD1 3.99Å; V172-F215 HydrophobicContact CG1-CE2 3.89Å; V172-F215 HydrophobicContact CG1-CZ 4.28Å
173	K	98.6	Very high	98.6	Very high	44 Å²	44	74.6 Å²	74.6	19%	0.191	33%	0.334	C	S	.	.	H	α-helix	trans	-54.8	-48.7	172.7	167.5	158.4	48.3	-156.1	0	112.6	N142 V169 S170 T171 L175 C176 R177 Y184 E206 Y210	N142-K173 PolarHBondContact ND2-NZ 2.75Å; V169-K173 PolarHBondContact O-N 2.69Å; S170-K173 WeakPolarHBondContact O-CB 3.48Å; S170-K173 PolarHBondContact O-N 2.98Å; T171-K173 PolarHBondContact O-N 3.21Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-L175 PolarHBondContact O-N 3.37Å; K173-C176 WeakPolarHBondContact O-CB 3.35Å; K173-C176 PolarHBondContact O-N 2.95Å; K173-R177 WeakPolarHBondContact O-CB 3.05Å; K173-R177 PolarHBondContact O-N 3.49Å; K173-Y184 HydrophobicContact CG-CE2 4.06Å; K173-E206 VanDerWaalsContact CD-OE1 3.24Å; K173-E206 WeakPolarHBondContact CD-OE1 3.28Å; K173-E206 WeakPolarHBondContact CE-OE1 3.38Å; K173-E206 IonicContact NZ-OE1 3.69Å; K173-E206 PolarHBondContact NZ-OE1 3.48Å; K173-E206 IonicContact NZ-OE2 2.86Å; K173-E206 PolarHBondContact NZ-OE2 3.43Å; K173-E206 VanDerWaalsContact NZ-OE2 3.12Å; K173-Y210 WeakPolarHBondContact CA-OH 3.49Å; K173-Y210 HydrophobicContact CB-CE2 3.84Å; K173-Y210 VanDerWaalsContact CB-OH 3.26Å; K173-Y210 WeakPolarHBondContact CB-OH 3.49Å; K173-Y210 WeakPolarHBondContact CG-OH 3.45Å
174	E	98.8	Very high	98.5	Very high	69 Å²	69	75.2 Å²	75.2	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-69.2	-31.5	-179.2	-76.9	-67.6	104.6	0	0	113	S170 T171 V172 R177 R178	S170-E174 WeakPolarHBondContact O-CB 3.45Å; S170-E174 WeakPolarHBondContact O-CG 3.31Å; S170-E174 PolarHBondContact O-N 3.4Å; T171-E174 PolarHBondContact O-N 2.88Å; V172-E174 PolarHBondContact O-N 2.9Å; E174-R177 VanDerWaalsContact CD-NH2 3.35Å; E174-R177 IonicContact OE1-CZ 3.19Å; E174-R177 IonicContact OE1-NE 2.94Å; E174-R177 PolarHBondContact OE1-NE 3.16Å; E174-R177 IonicContact OE1-NH2 2.61Å; E174-R177 PolarHBondContact OE1-NH2 3.32Å; E174-R177 IonicContact OE2-CZ 3.44Å; E174-R177 IonicContact OE2-NE 2.84Å; E174-R177 IonicContact OE2-NH2 3.18Å; E174-R177 PolarHBondContact OE2-NH2 3.09Å; E174-R178 PolarHBondContact O-N 3.3Å; E174-R178 PolarHBondContact O-NH1 3.49Å; E174-R178 IonicContact OE1-NH1 2.87Å; E174-R178 IonicContact OE2-CZ 2.73Å; E174-R178 IonicContact OE2-NH1 2.64Å; E174-R178 PolarHBondContact OE2-NH1 2.98Å; E174-R178 IonicContact OE2-NH2 3.57Å; E174-R178 PolarHBondContact OE2-NH2 3.25Å
175	L	98.8	Very high	98.5	Very high	64 Å²	64	73.9 Å²	73.9	34%	0.335	33%	0.334	S	S	.	.	H	α-helix	trans	-68.9	-45.3	170.3	-65.5	-178.3	0	0	0	111.4	T171 V172 K173 R177 R178 W179	T171-L175 HydrophobicContact CG2-CD1 4.5Å; T171-L175 WeakPolarHBondContact O-CG 3.49Å; T171-L175 PolarHBondContact O-N 2.79Å; T171-L175 VanDerWaalsContact O-N 3.11Å; V172-L175 PolarHBondContact O-N 3.01Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-L175 PolarHBondContact O-N 3.37Å; L175-R177 PolarHBondContact O-N 3.25Å; L175-R178 PolarHBondContact O-N 2.97Å; L175-R178 VanDerWaalsContact O-N 3.14Å; L175-W179 HydrophobicContact CB-CD2 4.41Å; L175-W179 HydrophobicContact CB-CE3 4.06Å; L175-W179 HydrophobicContact CB-CZ3 4.2Å; L175-W179 HydrophobicContact CD1-CH2 4.08Å; L175-W179 HydrophobicContact CD1-CZ3 3.9Å; L175-W179 HydrophobicContact CD2-CD2 4.4Å; L175-W179 HydrophobicContact CD2-CE3 4.36Å; L175-W179 HydrophobicContact CD2-CH2 3.61Å; L175-W179 HydrophobicContact CD2-CZ2 3.64Å; L175-W179 HydrophobicContact CD2-CZ3 3.98Å; L175-W179 HydrophobicContact CG-CH2 4.32Å; L175-W179 HydrophobicContact CG-CZ3 4.24Å; L175-W179 WeakPolarHBondContact O-CB 3.09Å; L175-W179 PolarHBondContact O-N 2.76Å
176	C	98.7	Very high	98.4	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-54.9	-51	175.8	-172	0	0	0	0	110.8	V172 K173 R178 W179 Y180 Y184 Y210 I214	V172-C176 WeakPolarHBondContact O-CB 3.27Å; V172-C176 PolarHBondContact O-N 3.29Å; K173-C176 WeakPolarHBondContact O-CB 3.35Å; K173-C176 PolarHBondContact O-N 2.95Å; C176-R178 PolarHBondContact O-N 3.27Å; C176-R178 VanDerWaalsContact O-N 3.08Å; C176-W179 PolarHBondContact O-N 2.96Å; C176-Y180 CarbonylContact O-C 2.99Å; C176-Y180 VanDerWaalsContact O-CA 3.27Å; C176-Y180 WeakPolarHBondContact O-CA 3.3Å; C176-Y180 PolarHBondContact O-N 3.4Å; C176-Y184 HydrophobicContact CB-CD2 4.26Å; C176-Y210 HydrophobicContact CB-CD1 4.01Å; C176-Y210 HydrophobicContact CB-CE1 3.81Å; C176-I214 HydrophobicContact CB-CD1 3.71Å
177	R	98.4	Very high	98.2	Very high	102 Å²	102	71.7 Å²	71.7	39%	0.385	33%	0.33	S	S	.	.	H	α-helix	trans	-56.2	-30	179	-170.9	170.5	66	82	-10.7	114.1	K173 E174 L175 Y184	K173-R177 WeakPolarHBondContact O-CB 3.05Å; K173-R177 PolarHBondContact O-N 3.49Å; E174-R177 VanDerWaalsContact CD-NH2 3.35Å; E174-R177 IonicContact OE1-CZ 3.19Å; E174-R177 IonicContact OE1-NE 2.94Å; E174-R177 PolarHBondContact OE1-NE 3.16Å; E174-R177 IonicContact OE1-NH2 2.61Å; E174-R177 PolarHBondContact OE1-NH2 3.32Å; E174-R177 IonicContact OE2-CZ 3.44Å; E174-R177 IonicContact OE2-NE 2.84Å; E174-R177 IonicContact OE2-NH2 3.18Å; E174-R177 PolarHBondContact OE2-NH2 3.09Å; L175-R177 PolarHBondContact O-N 3.25Å; R177-Y184 HydrophobicContact CB-CD1 4.36Å; R177-Y184 HydrophobicContact CB-CD2 3.93Å; R177-Y184 HydrophobicContact CB-CE1 4.39Å; R177-Y184 HydrophobicContact CB-CE2 3.97Å; R177-Y184 HydrophobicContact CB-CG 4.13Å; R177-Y184 HydrophobicContact CG-CD1 4.12Å; R177-Y184 HydrophobicContact CG-CE1 3.98Å; R177-Y184 HydrophobicContact CG-CE2 4.42Å; R177-Y184 HydrophobicContact CG-CG 4.38Å
178	R	98.7	Very high	97.9	Very high	138 Å²	138	71.4 Å²	71.4	52%	0.521	33%	0.332	S	S	.	.	H	α-helix	trans	-93.9	-39.4	-178.3	-74.4	169.5	-178.8	71.5	-4.6	113.4	E174 L175 C176	E174-R178 PolarHBondContact O-N 3.3Å; E174-R178 PolarHBondContact O-NH1 3.49Å; E174-R178 IonicContact OE1-NH1 2.87Å; E174-R178 IonicContact OE2-CZ 2.73Å; E174-R178 IonicContact OE2-NH1 2.64Å; E174-R178 PolarHBondContact OE2-NH1 2.98Å; E174-R178 IonicContact OE2-NH2 3.57Å; E174-R178 PolarHBondContact OE2-NH2 3.25Å; L175-R178 PolarHBondContact O-N 2.97Å; L175-R178 VanDerWaalsContact O-N 3.14Å; C176-R178 PolarHBondContact O-N 3.27Å; C176-R178 VanDerWaalsContact O-N 3.08Å
179	W	98.7	Very high	97.4	Very high	169 Å²	169	79 Å²	79	64%	0.64	36%	0.364	S	S	*	.	H	α-helix	trans	-100.6	-22.9	-170.4	-59.3	-14.8	0	0	0	112.9	L175 C176	L175-W179 HydrophobicContact CB-CD2 4.41Å; L175-W179 HydrophobicContact CB-CE3 4.06Å; L175-W179 HydrophobicContact CB-CZ3 4.2Å; L175-W179 HydrophobicContact CD1-CH2 4.08Å; L175-W179 HydrophobicContact CD1-CZ3 3.9Å; L175-W179 HydrophobicContact CD2-CD2 4.4Å; L175-W179 HydrophobicContact CD2-CE3 4.36Å; L175-W179 HydrophobicContact CD2-CH2 3.61Å; L175-W179 HydrophobicContact CD2-CZ2 3.64Å; L175-W179 HydrophobicContact CD2-CZ3 3.98Å; L175-W179 HydrophobicContact CG-CH2 4.32Å; L175-W179 HydrophobicContact CG-CZ3 4.24Å; L175-W179 WeakPolarHBondContact O-CB 3.09Å; L175-W179 PolarHBondContact O-N 2.76Å; C176-W179 PolarHBondContact O-N 2.96Å
180	Y	98.2	Very high	96.8	Very high	89 Å²	89	82.3 Å²	82.3	35%	0.349	38%	0.378	S	S	.	.			trans	-137.6	55.5	-174.9	-60.8	-81.6	0	0	0	110.3	C176 E182 E183 Y184 I214	C176-Y180 CarbonylContact O-C 2.99Å; C176-Y180 VanDerWaalsContact O-CA 3.27Å; C176-Y180 WeakPolarHBondContact O-CA 3.3Å; C176-Y180 PolarHBondContact O-N 3.4Å; Y180-E182 PolarHBondContact O-N 2.93Å; Y180-E183 WeakPolarHBondContact CA-OE2 3.27Å; Y180-E183 WeakPolarHBondContact CB-OE2 3.4Å; Y180-E183 PolarHBondContact O-N 3.15Å; Y180-Y184 WeakPolarHBondContact O-CB 3.35Å; Y180-Y184 PolarHBondContact O-N 3.36Å; Y180-I214 HydrophobicContact CD1-CB 4.28Å; Y180-I214 HydrophobicContact CD1-CG2 4.08Å; Y180-I214 HydrophobicContact CD2-CB 3.8Å; Y180-I214 HydrophobicContact CD2-CD1 4.35Å; Y180-I214 HydrophobicContact CD2-CG2 3.91Å; Y180-I214 HydrophobicContact CE2-CB 4.06Å; Y180-I214 HydrophobicContact CG-CB 3.92Å; Y180-I214 HydrophobicContact CG-CG2 3.6Å
181	P	98.1	Very high	96.1	Very high	71 Å²	71	85.3 Å²	85.3	46%	0.461	40%	0.404	S	S	.	.	H	α-helix	trans	-64	-29.5	-173.4	27.2	-35.5	0	0	0	112.7	Y184 E185	P181-Y184 PolarHBondContact O-N 2.85Å; P181-E185 PolarHBondContact O-N 3.32Å
182	E	98	Very high	95.1	Very high	154 Å²	154	84 Å²	84	72%	0.72	40%	0.401	S	S	*	.	H	α-helix	trans	-68.1	-46.6	176.6	-65	-179.7	-156.5	0	0	111.1	Y180 Y184 E185 F186	Y180-E182 PolarHBondContact O-N 2.93Å; E182-Y184 VanDerWaalsContact C-N 3.3Å; E182-Y184 PolarHBondContact O-N 3.34Å; E182-E185 PolarHBondContact O-N 3.29Å; E182-F186 WeakPolarHBondContact O-CD2 3.36Å; E182-F186 WeakPolarHBondContact O-CE2 3.33Å
183	E	97.9	Very high	94.2	Very high	63 Å²	63	84.8 Å²	84.8	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-65.7	-35.3	175.5	-64.9	85	165.6	0	0	111.9	Y180 E185 F186 F209 I214	Y180-E183 WeakPolarHBondContact CA-OE2 3.27Å; Y180-E183 WeakPolarHBondContact CB-OE2 3.4Å; Y180-E183 PolarHBondContact O-N 3.15Å; E183-E185 VanDerWaalsContact C-N 3.26Å; E183-E185 PolarHBondContact O-N 3.45Å; E183-F186 PolarHBondContact O-N 2.82Å; E183-F186 VanDerWaalsContact O-N 3.09Å; E183-F209 VanDerWaalsContact O-CZ 3.32Å; E183-F209 WeakPolarHBondContact O-CZ 3.48Å; E183-I214 HydrophobicContact CB-CG2 4.05Å; E183-I214 HydrophobicContact CG-CG2 4.37Å
184	Y	97.8	Very high	93.3	Very high	60 Å²	60	85 Å²	85	24%	0.235	41%	0.409	C	S	.	.	H	α-helix	trans	-57.7	-36.4	179.7	-177.9	-101	0	0	0	113	K173 C176 R177 Y180 P181 E182 F186 A187	K173-Y184 HydrophobicContact CG-CE2 4.06Å; C176-Y184 HydrophobicContact CB-CD2 4.26Å; R177-Y184 HydrophobicContact CB-CD1 4.36Å; R177-Y184 HydrophobicContact CB-CD2 3.93Å; R177-Y184 HydrophobicContact CB-CE1 4.39Å; R177-Y184 HydrophobicContact CB-CE2 3.97Å; R177-Y184 HydrophobicContact CB-CG 4.13Å; R177-Y184 HydrophobicContact CG-CD1 4.12Å; R177-Y184 HydrophobicContact CG-CE1 3.98Å; R177-Y184 HydrophobicContact CG-CE2 4.42Å; R177-Y184 HydrophobicContact CG-CG 4.38Å; Y180-Y184 WeakPolarHBondContact O-CB 3.35Å; Y180-Y184 PolarHBondContact O-N 3.36Å; P181-Y184 PolarHBondContact O-N 2.85Å; E182-Y184 VanDerWaalsContact C-N 3.3Å; E182-Y184 PolarHBondContact O-N 3.34Å; Y184-F186 PolarHBondContact O-N 3.36Å; Y184-A187 WeakPolarHBondContact O-CB 3.44Å; Y184-A187 PolarHBondContact O-N 3.01Å
185	E	96.9	Very high	92.7	Very high	130 Å²	130	85.4 Å²	85.4	61%	0.607	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.9	178.5	-68	-55.1	128.3	0	0	113.2	P181 E182 E183	P181-E185 PolarHBondContact O-N 3.32Å; E182-E185 PolarHBondContact O-N 3.29Å; E183-E185 VanDerWaalsContact C-N 3.26Å; E183-E185 PolarHBondContact O-N 3.45Å
186	F	96.6	Very high	92.2	Very high	155 Å²	155	82.3 Å²	82.3	68%	0.68	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	2.3	177.4	-53.6	-69.2	0	0	0	113.6	E182 E183 Y184 F209	E182-F186 WeakPolarHBondContact O-CD2 3.36Å; E182-F186 WeakPolarHBondContact O-CE2 3.33Å; E183-F186 PolarHBondContact O-N 2.82Å; E183-F186 VanDerWaalsContact O-N 3.09Å; Y184-F186 PolarHBondContact O-N 3.36Å; F186-F209 HydrophobicContact CB-CE2 4.21Å; F186-F209 HydrophobicContact CB-CZ 4.11Å; F186-F209 VanDerWaalsContact O-CE2 3.25Å; F186-F209 WeakPolarHBondContact O-CE2 3.48Å
187	A	95.6	Very high	91.9	Very high	16 Å²	16	84.4 Å²	84.4	13%	0.132	40%	0.403	C	S	.	.	S	Bend	trans	-59.3	137.9	176.9	0	0	0	0	0	110.5	Y184 K189 F209	Y184-A187 WeakPolarHBondContact O-CB 3.44Å; Y184-A187 PolarHBondContact O-N 3.01Å; A187-K189 PolarHBondContact O-N 2.89Å; A187-F209 HydrophobicContact CB-CD1 4.16Å; A187-F209 HydrophobicContact CB-CE1 3.82Å; A187-F209 HydrophobicContact CB-CZ 4.29Å
188	P	92.1	Very high	91.6	Very high	42 Å²	42	83.8 Å²	83.8	27%	0.273	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-58.8	133.3	179.9	24.4	-33	0	0	0	110.1	F209	P188-F209 HydrophobicContact CG-CB 4.3Å
189	K	88.8	Confident	91.3	Very high	175 Å²	175	77.8 Å²	77.8	76%	0.761	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-73.9	130.1	172.2	-57.5	-58.4	-177.6	-169.8	0	108.6	A187	A187-K189 PolarHBondContact O-N 2.89Å
190	K	86.4	Confident	91.2	Very high	70 Å²	70	69.9 Å²	69.9	30%	0.304	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-69.7	138.5	170.9	-71.9	-154.3	178	-161.8	0	109.8	N142 E202 S203 E206	N142-K190 PolarHBondContact OD1-NZ 3.23Å; K190-E202 VanDerWaalsContact CA-OE2 3.3Å; K190-E202 WeakPolarHBondContact CA-OE2 3.3Å; K190-E202 WeakPolarHBondContact CB-OE2 3.26Å; K190-E202 HydrophobicContact CD-CB 4.17Å; K190-E202 HydrophobicContact CG-CB 4.24Å; K190-E202 WeakPolarHBondContact CG-OE2 3.49Å; K190-S203 PolarHBondContact NZ-OG 3.06Å; K190-E206 WeakPolarHBondContact CE-OE2 3.33Å; K190-E206 IonicContact NZ-OE2 2.82Å
191	A	84.3	Confident	91.1	Very high	78 Å²	78	68 Å²	68	65%	0.645	36%	0.355	S	S	*	.			trans	-68	-26.1	166.6	0	0	0	0	0	110.7	S193 E202	A191-S193 PolarHBondContact O-N 3.24Å; A191-E202 VanDerWaalsContact CB-OE1 3.27Å; A191-E202 WeakPolarHBondContact CB-OE1 3.29Å; A191-E202 PolarHBondContact N-OE1 2.88Å; A191-E202 PolarHBondContact N-OE2 2.93Å
192	A	77.9	Confident	91	Very high	49 Å²	49	66.6 Å²	66.6	41%	0.405	34%	0.342	S	S	.	.			trans	51.4	55.3	179	0	0	0	0	0	111.2	H194	A192-H194 PolarHBondContact O-CD2 3.43Å; A192-H194 PolarHBondContact O-N 3.42Å
193	S	80.1	Confident	91	Very high	42 Å²	42	59.3 Å²	59.3	29%	0.294	31%	0.308	S	S	.	.			trans	-71.6	-12.7	-177.4	46.9	0	0	0	0	113.5	A191 R195 D198	A191-S193 PolarHBondContact O-N 3.24Å; S193-R195 VanDerWaalsContact C-N 3.34Å; S193-D198 WeakPolarHBondContact OG-CB 3.46Å
194	H	78.4	Confident	91	Very high	48 Å²	48	57 Å²	57	22%	0.222	30%	0.298	C	S	.	.			trans	55.9	49.9	-175.8	-62.7	-73.9	0	0	0	111.3	E49 W96 H100 A192 D199	E49-H194 WeakPolarHBondContact OE1-CA 3.07Å; W96-H194 AromaticContact CH2-CE1 3.79Å; H100-H194 AromaticContact CD2-CD2 3.74Å; H100-H194 AromaticContact CD2-NE2 3.4Å; H100-H194 PolarHBondContact CD2-NE2 2.92Å; A192-H194 PolarHBondContact O-CD2 3.43Å; A192-H194 PolarHBondContact O-N 3.42Å; H194-D199 VanDerWaalsContact CA-OD2 3.31Å; H194-D199 WeakPolarHBondContact CA-OD2 3.47Å; H194-D199 PolarHBondContact N-OD2 3.36Å
195	R	87.6	Confident	91	Very high	78 Å²	78	60.8 Å²	60.8	29%	0.294	32%	0.316	S	S	.	.			trans	-142.1	118.4	180	-67.6	-56	-54.7	-77.8	0.8	107.4	E62 S193 L197 D198 D199	E62-R195 IonicContact OE1-CZ 3.68Å; E62-R195 VanDerWaalsContact OE1-CZ 3.3Å; E62-R195 IonicContact OE1-NE 3.03Å; E62-R195 PolarHBondContact OE1-NE 3.04Å; E62-R195 IonicContact OE1-NH2 2.82Å; E62-R195 PolarHBondContact OE1-NH2 3.04Å; E62-R195 IonicContact OE2-NE 2.58Å; E62-R195 PolarHBondContact OE2-NE 3.22Å; S193-R195 VanDerWaalsContact C-N 3.34Å; R195-L197 PolarHBondContact O-N 3.49Å; R195-L197 VanDerWaalsContact O-N 3.12Å; R195-D198 PolarHBondContact O-N 3.22Å; R195-D198 VanDerWaalsContact O-N 3.09Å; R195-D199 PolarHBondContact N-OD2 3.22Å; R195-D199 PolarHBondContact O-N 3.48Å; R195-D199 VanDerWaalsContact O-N 3.1Å
196	A	88	Confident	91.1	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-54.4	-44.3	-161.4	0	0	0	0	0	114.8	D47 E62 A64 D198 D199 I200	D47-A196 HydrophobicContact CB-CB 4.21Å; D47-A196 WeakPolarHBondContact O-CB 3.47Å; D47-A196 WeakPolarHBondContact OD2-CA 3.23Å; E62-A196 HydrophobicContact CG-CB 4.16Å; E62-A196 PolarHBondContact OE2-N 3.06Å; A64-A196 HydrophobicContact CB-CB 3.57Å; A196-D198 PolarHBondContact O-N 3.3Å; A196-D199 PolarHBondContact O-N 2.91Å; A196-I200 WeakPolarHBondContact O-CG1 3.35Å; A196-I200 PolarHBondContact O-N 2.77Å
197	L	92.1	Very high	91.2	Very high	44 Å²	44	48.4 Å²	48.4	23%	0.23	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-38.3	-177	-176.6	61.6	0	0	0	113.4	A64 L66 R195 S201	A64-L197 HydrophobicContact CB-CB 3.96Å; A64-L197 HydrophobicContact CB-CD1 4.42Å; L66-L197 HydrophobicContact CD1-CD1 4.08Å; L66-L197 HydrophobicContact CD2-CD1 3.74Å; L66-L197 HydrophobicContact CG-CD1 3.92Å; R195-L197 PolarHBondContact O-N 3.49Å; R195-L197 VanDerWaalsContact O-N 3.12Å; L197-S201 PolarHBondContact O-N 3.12Å; L197-S201 PolarHBondContact O-OG 3.47Å; L197-S201 VanDerWaalsContact O-OG 3.1Å
198	D	91.7	Very high	91.3	Very high	88 Å²	88	50.2 Å²	50.2	47%	0.471	27%	0.266	S	S	.	.	H	α-helix	trans	-69.2	-42.9	178.2	-69.7	-26.1	0	0	0	109.6	S193 R195 A196 I200 S201 E202	S193-D198 WeakPolarHBondContact OG-CB 3.46Å; R195-D198 PolarHBondContact O-N 3.22Å; R195-D198 VanDerWaalsContact O-N 3.09Å; A196-D198 PolarHBondContact O-N 3.3Å; D198-I200 VanDerWaalsContact C-N 3.34Å; D198-I200 PolarHBondContact O-N 3.41Å; D198-S201 WeakPolarHBondContact O-CB 3.24Å; D198-S201 PolarHBondContact O-N 2.88Å; D198-E202 WeakPolarHBondContact O-CG 3.46Å; D198-E202 PolarHBondContact O-N 3.28Å
199	D	92.3	Very high	91.6	Very high	13 Å²	13	49.7 Å²	49.7	7%	0.07	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-33.4	179.1	-73.2	-51.2	0	0	0	112.6	H194 R195 A196 S203	H194-D199 VanDerWaalsContact CA-OD2 3.31Å; H194-D199 WeakPolarHBondContact CA-OD2 3.47Å; H194-D199 PolarHBondContact N-OD2 3.36Å; R195-D199 PolarHBondContact N-OD2 3.22Å; R195-D199 PolarHBondContact O-N 3.48Å; R195-D199 VanDerWaalsContact O-N 3.1Å; A196-D199 PolarHBondContact O-N 2.91Å; D199-S203 WeakPolarHBondContact O-CB 3Å; D199-S203 PolarHBondContact O-N 3.28Å; D199-S203 PolarHBondContact O-OG 3.25Å
200	I	96.4	Very high	92.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-48.8	168.5	-67.8	170.9	0	0	0	110.7	W45 D47 A64 L66 A196 D198 E202 S203 I204	W45-I200 HydrophobicContact CB-CG2 3.66Å; W45-I200 HydrophobicContact CE3-CG2 4.32Å; W45-I200 HydrophobicContact CG-CG2 4.32Å; D47-I200 HydrophobicContact CB-CD1 4.1Å; D47-I200 HydrophobicContact CB-CG1 3.49Å; D47-I200 VanDerWaalsContact CB-CG1 3.49Å; A64-I200 HydrophobicContact CB-CD1 3.74Å; L66-I200 HydrophobicContact CB-CG2 4.18Å; L66-I200 HydrophobicContact CD1-CB 4.39Å; L66-I200 HydrophobicContact CD1-CG2 3.62Å; L66-I200 HydrophobicContact CG-CG2 3.97Å; A196-I200 WeakPolarHBondContact O-CG1 3.35Å; A196-I200 PolarHBondContact O-N 2.77Å; D198-I200 VanDerWaalsContact C-N 3.34Å; D198-I200 PolarHBondContact O-N 3.41Å; I200-E202 VanDerWaalsContact C-N 3.27Å; I200-E202 PolarHBondContact O-N 2.93Å; I200-S203 WeakPolarHBondContact O-CA 3.34Å; I200-S203 WeakPolarHBondContact O-CB 3.47Å; I200-S203 PolarHBondContact O-N 2.95Å; I200-I204 HydrophobicContact CG2-CD1 3.91Å; I200-I204 HydrophobicContact CG2-CG1 4.36Å; I200-I204 WeakPolarHBondContact O-CG1 3.02Å; I200-I204 PolarHBondContact O-N 2.99Å
201	S	95.8	Very high	92.6	Very high	50 Å²	50	42.6 Å²	42.6	35%	0.35	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-39.5	-177.2	-62.1	0	0	0	0	111.4	L197 D198 K205	L197-S201 PolarHBondContact O-N 3.12Å; L197-S201 PolarHBondContact O-OG 3.47Å; L197-S201 VanDerWaalsContact O-OG 3.1Å; D198-S201 WeakPolarHBondContact O-CB 3.24Å; D198-S201 PolarHBondContact O-N 2.88Å; S201-K205 WeakPolarHBondContact O-CB 3.08Å; S201-K205 PolarHBondContact O-N 3.17Å; S201-K205 VanDerWaalsContact O-N 3.09Å
202	E	96.6	Very high	93.3	Very high	41 Å²	41	42.4 Å²	42.4	19%	0.192	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-39	172.8	-65.9	-163.2	144.2	0	0	112.5	K190 A191 D198 I200 K205 E206	K190-E202 VanDerWaalsContact CA-OE2 3.3Å; K190-E202 WeakPolarHBondContact CA-OE2 3.3Å; K190-E202 WeakPolarHBondContact CB-OE2 3.26Å; K190-E202 HydrophobicContact CD-CB 4.17Å; K190-E202 HydrophobicContact CG-CB 4.24Å; K190-E202 WeakPolarHBondContact CG-OE2 3.49Å; A191-E202 VanDerWaalsContact CB-OE1 3.27Å; A191-E202 WeakPolarHBondContact CB-OE1 3.29Å; A191-E202 PolarHBondContact N-OE1 2.88Å; A191-E202 PolarHBondContact N-OE2 2.93Å; D198-E202 WeakPolarHBondContact O-CG 3.46Å; D198-E202 PolarHBondContact O-N 3.28Å; I200-E202 VanDerWaalsContact C-N 3.27Å; I200-E202 PolarHBondContact O-N 2.93Å; E202-K205 PolarHBondContact O-N 2.93Å; E202-E206 WeakPolarHBondContact O-CB 3.5Å; E202-E206 PolarHBondContact O-N 2.96Å
203	S	97.8	Very high	94.2	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-40.4	177.3	-56.8	0	0	0	0	112.3	N142 K190 D199 I200 E206 L207	N142-S203 WeakPolarHBondContact OD1-CA 3.46Å; N142-S203 VanDerWaalsContact OD1-CB 3.22Å; N142-S203 WeakPolarHBondContact OD1-CB 3.43Å; N142-S203 PolarHBondContact OD1-OG 3.06Å; K190-S203 PolarHBondContact NZ-OG 3.06Å; D199-S203 WeakPolarHBondContact O-CB 3Å; D199-S203 PolarHBondContact O-N 3.28Å; D199-S203 PolarHBondContact O-OG 3.25Å; I200-S203 WeakPolarHBondContact O-CA 3.34Å; I200-S203 WeakPolarHBondContact O-CB 3.47Å; I200-S203 PolarHBondContact O-N 2.95Å; S203-E206 PolarHBondContact O-N 3.02Å; S203-L207 PolarHBondContact O-N 3.35Å
204	I	98.4	Very high	95	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-46.3	173.7	-67	169.3	0	0	0	110.1	W45 L66 T68 L72 I74 I200 E206 L207 Q208	W45-I204 HydrophobicContact CD2-CD1 4.01Å; W45-I204 HydrophobicContact CD2-CG1 3.53Å; W45-I204 HydrophobicContact CE3-CD1 4.35Å; W45-I204 HydrophobicContact CE3-CG1 3.55Å; W45-I204 HydrophobicContact CG-CD1 4.17Å; W45-I204 HydrophobicContact CG-CG1 4.23Å; W45-I204 HydrophobicContact CH2-CB 4.39Å; W45-I204 HydrophobicContact CH2-CG1 3.79Å; W45-I204 HydrophobicContact CZ2-CG1 3.8Å; W45-I204 HydrophobicContact CZ3-CB 4.46Å; W45-I204 HydrophobicContact CZ3-CG1 3.67Å; L66-I204 HydrophobicContact CD1-CD1 4.17Å; T68-I204 HydrophobicContact CG2-CD1 3.91Å; L72-I204 HydrophobicContact CB-CG2 4.24Å; I74-I204 HydrophobicContact CD1-CD1 4.5Å; I74-I204 HydrophobicContact CG1-CD1 4.32Å; I200-I204 HydrophobicContact CG2-CD1 3.91Å; I200-I204 HydrophobicContact CG2-CG1 4.36Å; I200-I204 WeakPolarHBondContact O-CG1 3.02Å; I200-I204 PolarHBondContact O-N 2.99Å; I204-E206 VanDerWaalsContact C-N 3.32Å; I204-E206 PolarHBondContact O-N 3.03Å; I204-L207 PolarHBondContact O-N 3.15Å; I204-Q208 WeakPolarHBondContact O-CB 3.48Å; I204-Q208 PolarHBondContact O-N 3.06Å
205	K	98.1	Very high	95.9	Very high	138 Å²	138	45.6 Å²	45.6	60%	0.6	22%	0.218	S	C	*	.	H	α-helix	trans	-61.9	-39.7	178.2	-173.5	179.6	179.8	-177.6	0	112	S201 E202 Q208 F209	S201-K205 WeakPolarHBondContact O-CB 3.08Å; S201-K205 PolarHBondContact O-N 3.17Å; S201-K205 VanDerWaalsContact O-N 3.09Å; E202-K205 PolarHBondContact O-N 2.93Å; K205-Q208 PolarHBondContact O-N 3.11Å; K205-F209 WeakPolarHBondContact O-CB 3.06Å; K205-F209 PolarHBondContact O-N 3.33Å
206	E	98.4	Very high	96.4	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-48.6	174.6	-173.8	-175	144	0	0	111.1	N142 V169 K173 K190 E202 S203 I204 Q208 F209 Y210	N142-E206 PolarHBondContact ND2-OE1 3.43Å; N142-E206 PolarHBondContact OD1-OE2 2.92Å; V169-E206 HydrophobicContact CG1-CB 4.16Å; V169-E206 HydrophobicContact CG1-CG 3.94Å; K173-E206 VanDerWaalsContact CD-OE1 3.24Å; K173-E206 WeakPolarHBondContact CD-OE1 3.28Å; K173-E206 WeakPolarHBondContact CE-OE1 3.38Å; K173-E206 IonicContact NZ-OE1 3.69Å; K173-E206 PolarHBondContact NZ-OE1 3.48Å; K173-E206 IonicContact NZ-OE2 2.86Å; K173-E206 PolarHBondContact NZ-OE2 3.43Å; K173-E206 VanDerWaalsContact NZ-OE2 3.12Å; K190-E206 WeakPolarHBondContact CE-OE2 3.33Å; K190-E206 IonicContact NZ-OE2 2.82Å; E202-E206 WeakPolarHBondContact O-CB 3.5Å; E202-E206 PolarHBondContact O-N 2.96Å; S203-E206 PolarHBondContact O-N 3.02Å; I204-E206 VanDerWaalsContact C-N 3.32Å; I204-E206 PolarHBondContact O-N 3.03Å; E206-Q208 VanDerWaalsContact C-N 3.34Å; E206-Q208 PolarHBondContact O-N 3.47Å; E206-F209 WeakPolarHBondContact O-CB 3.37Å; E206-F209 PolarHBondContact O-N 3.49Å; E206-F209 VanDerWaalsContact O-N 3.17Å; E206-Y210 HydrophobicContact CG-CD2 4.34Å; E206-Y210 HydrophobicContact CG-CE2 3.53Å; E206-Y210 WeakPolarHBondContact O-CD2 3.42Å; E206-Y210 PolarHBondContact O-N 2.99Å; E206-Y210 PolarHBondContact OE1-OH 3.07Å
207	L	98.6	Very high	96.5	Very high	16 Å²	16	58 Å²	58	8%	0.084	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-38.3	178.1	-171.3	61.4	0	0	0	112.3	W45 L72 I167 V169 V172 S203 I204 F209 Y210 R211	W45-L207 HydrophobicContact CH2-CB 4.17Å; W45-L207 HydrophobicContact CH2-CD2 3.71Å; W45-L207 HydrophobicContact CZ2-CD2 3.95Å; L72-L207 HydrophobicContact CD1-CB 4.21Å; L72-L207 HydrophobicContact CD1-CD2 4.16Å; L72-L207 HydrophobicContact CD1-CG 4.05Å; L72-L207 HydrophobicContact CD2-CD2 3.96Å; I167-L207 HydrophobicContact CG2-CD2 4.21Å; V169-L207 HydrophobicContact CG1-CB 4.04Å; V169-L207 HydrophobicContact CG1-CD1 4.43Å; V169-L207 HydrophobicContact CG2-CB 3.91Å; V169-L207 HydrophobicContact CG2-CD1 4.36Å; V169-L207 HydrophobicContact CG2-CD2 4.16Å; V169-L207 HydrophobicContact CG2-CG 4.36Å; V172-L207 HydrophobicContact CB-CD1 4.45Å; V172-L207 HydrophobicContact CG2-CD1 4.1Å; S203-L207 PolarHBondContact O-N 3.35Å; I204-L207 PolarHBondContact O-N 3.15Å; L207-F209 VanDerWaalsContact C-N 3.31Å; L207-F209 PolarHBondContact O-N 2.58Å; L207-Y210 PolarHBondContact O-N 3.38Å; L207-R211 PolarHBondContact O-N 3.06Å
208	Q	98.3	Very high	96.3	Very high	53 Å²	53	64.7 Å²	64.7	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-37.8	174.6	-174.5	60	67.7	0	0	111.5	L72 I204 K205 E206 R211 N212	L72-Q208 HydrophobicContact CD1-CB 4Å; I204-Q208 WeakPolarHBondContact O-CB 3.48Å; I204-Q208 PolarHBondContact O-N 3.06Å; K205-Q208 PolarHBondContact O-N 3.11Å; E206-Q208 VanDerWaalsContact C-N 3.34Å; E206-Q208 PolarHBondContact O-N 3.47Å; Q208-R211 PolarHBondContact O-N 3.45Å; Q208-N212 PolarHBondContact NE2-ND2 3.29Å; Q208-N212 PolarHBondContact NE2-OD1 3.1Å; Q208-N212 VanDerWaalsContact NE2-OD1 3.14Å; Q208-N212 WeakPolarHBondContact O-CB 3.2Å; Q208-N212 PolarHBondContact O-N 2.91Å; Q208-N212 PolarHBondContact O-ND2 3.21Å
209	F	98.4	Very high	95.6	Very high	31 Å²	31	66.1 Å²	66.1	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-48.1	171.7	170.2	-89.8	0	0	0	111.1	E183 F186 A187 P188 K205 E206 L207 R211 N212 N213	E183-F209 VanDerWaalsContact O-CZ 3.32Å; E183-F209 WeakPolarHBondContact O-CZ 3.48Å; F186-F209 HydrophobicContact CB-CE2 4.21Å; F186-F209 HydrophobicContact CB-CZ 4.11Å; F186-F209 VanDerWaalsContact O-CE2 3.25Å; F186-F209 WeakPolarHBondContact O-CE2 3.48Å; A187-F209 HydrophobicContact CB-CD1 4.16Å; A187-F209 HydrophobicContact CB-CE1 3.82Å; A187-F209 HydrophobicContact CB-CZ 4.29Å; P188-F209 HydrophobicContact CG-CB 4.3Å; K205-F209 WeakPolarHBondContact O-CB 3.06Å; K205-F209 PolarHBondContact O-N 3.33Å; E206-F209 WeakPolarHBondContact O-CB 3.37Å; E206-F209 PolarHBondContact O-N 3.49Å; E206-F209 VanDerWaalsContact O-N 3.17Å; L207-F209 VanDerWaalsContact C-N 3.31Å; L207-F209 PolarHBondContact O-N 2.58Å; F209-R211 PolarHBondContact O-N 3.23Å; F209-N212 PolarHBondContact O-N 3.37Å; F209-N212 VanDerWaalsContact O-N 3.15Å; F209-N213 WeakPolarHBondContact CD2-ND2 3.47Å; F209-N213 WeakPolarHBondContact CE2-ND2 3.34Å; F209-N213 HydrophobicContact CZ-CB 4.35Å; F209-N213 PolarHBondContact O-N 3.15Å; F209-N213 PolarHBondContact O-ND2 2.94Å
210	Y	98.5	Very high	94.8	Very high	2 Å²	2	69.1 Å²	69.1	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-46.8	177.8	-61.7	-43.4	0	0	0	111.9	V169 V172 K173 C176 E206 L207 N212 N213 I214 F215	V169-Y210 HydrophobicContact CG1-CD2 4.45Å; V169-Y210 HydrophobicContact CG1-CE2 4.17Å; V172-Y210 HydrophobicContact CB-CD2 3.97Å; V172-Y210 HydrophobicContact CB-CE2 4.48Å; V172-Y210 HydrophobicContact CG1-CD2 3.59Å; V172-Y210 HydrophobicContact CG1-CE2 4.42Å; V172-Y210 HydrophobicContact CG1-CG 3.71Å; K173-Y210 WeakPolarHBondContact CA-OH 3.49Å; K173-Y210 HydrophobicContact CB-CE2 3.84Å; K173-Y210 VanDerWaalsContact CB-OH 3.26Å; K173-Y210 WeakPolarHBondContact CB-OH 3.49Å; K173-Y210 WeakPolarHBondContact CG-OH 3.45Å; C176-Y210 HydrophobicContact CB-CD1 4.01Å; C176-Y210 HydrophobicContact CB-CE1 3.81Å; E206-Y210 HydrophobicContact CG-CD2 4.34Å; E206-Y210 HydrophobicContact CG-CE2 3.53Å; E206-Y210 WeakPolarHBondContact O-CD2 3.42Å; E206-Y210 PolarHBondContact O-N 2.99Å; E206-Y210 PolarHBondContact OE1-OH 3.07Å; L207-Y210 PolarHBondContact O-N 3.38Å; Y210-N212 PolarHBondContact O-N 3.48Å; Y210-N212 VanDerWaalsContact O-N 3.12Å; Y210-N213 PolarHBondContact O-N 3.05Å; Y210-I214 HydrophobicContact CD1-CD1 4.16Å; Y210-I214 HydrophobicContact CG-CD1 4.32Å; Y210-I214 WeakPolarHBondContact O-CG1 3.32Å; Y210-I214 PolarHBondContact O-N 3.04Å; Y210-F215 WeakPolarHBondContact O-CD2 3.39Å
211	R	98.1	Very high	93.1	Very high	94 Å²	94	76.1 Å²	76.1	36%	0.355	36%	0.356	S	S	.	.	H	α-helix	trans	-52	-37.8	175	-172.9	179.3	-175.8	-163.7	3.3	112.1	D71 L207 Q208 F209	D71-R211 VanDerWaalsContact CA-NH1 3.28Å; D71-R211 PolarHBondContact O-NH1 3.35Å; D71-R211 IonicContact OD1-CZ 2.71Å; D71-R211 IonicContact OD1-NH1 2.62Å; D71-R211 PolarHBondContact OD1-NH1 3.18Å; D71-R211 IonicContact OD1-NH2 3.04Å; D71-R211 PolarHBondContact OD1-NH2 3.42Å; L207-R211 PolarHBondContact O-N 3.06Å; Q208-R211 PolarHBondContact O-N 3.45Å; F209-R211 PolarHBondContact O-N 3.23Å
212	N	97.1	Very high	91.5	Very high	74 Å²	74	81.3 Å²	81.3	40%	0.396	37%	0.372	S	S	.	.	H	α-helix	trans	-80.9	-23	-179	-72.6	-19.5	0	0	0	114.3	Q208 F209 Y210 K217	Q208-N212 PolarHBondContact NE2-ND2 3.29Å; Q208-N212 PolarHBondContact NE2-OD1 3.1Å; Q208-N212 VanDerWaalsContact NE2-OD1 3.14Å; Q208-N212 WeakPolarHBondContact O-CB 3.2Å; Q208-N212 PolarHBondContact O-N 2.91Å; Q208-N212 PolarHBondContact O-ND2 3.21Å; F209-N212 PolarHBondContact O-N 3.37Å; F209-N212 VanDerWaalsContact O-N 3.15Å; Y210-N212 PolarHBondContact O-N 3.48Å; Y210-N212 VanDerWaalsContact O-N 3.12Å; N212-K217 VanDerWaalsContact O-CE 3.25Å; N212-K217 WeakPolarHBondContact O-CE 3.46Å; N212-K217 PolarHBondContact O-NZ 3.47Å
213	N	97.5	Very high	89.9	Confident	76 Å²	76	85.3 Å²	85.3	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-114.4	-38	-170.1	-67.2	-71.7	0	0	0	113.6	F209 Y210	F209-N213 WeakPolarHBondContact CD2-ND2 3.47Å; F209-N213 WeakPolarHBondContact CE2-ND2 3.34Å; F209-N213 HydrophobicContact CZ-CB 4.35Å; F209-N213 PolarHBondContact O-N 3.15Å; F209-N213 PolarHBondContact O-ND2 2.94Å; Y210-N213 PolarHBondContact O-N 3.05Å
214	I	97.8	Very high	88.4	Confident	21 Å²	21	92.8 Å²	92.8	11%	0.108	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-13	-170.8	69.9	172.6	0	0	0	114.1	V172 C176 Y180 E183 Y210	V172-I214 HydrophobicContact CG1-CD1 3.99Å; C176-I214 HydrophobicContact CB-CD1 3.71Å; Y180-I214 HydrophobicContact CD1-CB 4.28Å; Y180-I214 HydrophobicContact CD1-CG2 4.08Å; Y180-I214 HydrophobicContact CD2-CB 3.8Å; Y180-I214 HydrophobicContact CD2-CD1 4.35Å; Y180-I214 HydrophobicContact CD2-CG2 3.91Å; Y180-I214 HydrophobicContact CE2-CB 4.06Å; Y180-I214 HydrophobicContact CG-CB 3.92Å; Y180-I214 HydrophobicContact CG-CG2 3.6Å; E183-I214 HydrophobicContact CB-CG2 4.05Å; E183-I214 HydrophobicContact CG-CG2 4.37Å; Y210-I214 HydrophobicContact CD1-CD1 4.16Å; Y210-I214 HydrophobicContact CG-CD1 4.32Å; Y210-I214 WeakPolarHBondContact O-CG1 3.32Å; Y210-I214 PolarHBondContact O-N 3.04Å
215	F	97.6	Very high	86.7	Confident	110 Å²	110	97.9 Å²	97.9	48%	0.482	44%	0.439	S	S	.	.	S	Bend	trans	-87.2	149.9	174.1	-75.1	-97.9	0	0	0	111.5	V172 Y210 K217	V172-F215 HydrophobicContact CG1-CE2 3.89Å; V172-F215 HydrophobicContact CG1-CZ 4.28Å; Y210-F215 WeakPolarHBondContact O-CD2 3.39Å; F215-K217 PolarHBondContact O-N 2.82Å; F215-K217 VanDerWaalsContact O-N 3.15Å
216	K	96.5	Very high	85.5	Confident	193 Å²	193	96.9 Å²	96.9	84%	0.839	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-55.3	122.7	177.3	-167.9	-179.4	85	175.7	0	110.4	K218	K216-K218 PolarHBondContact O-N 3.12Å
217	K	91.5	Very high	84.2	Confident	146 Å²	146	100.2 Å²	100.2	64%	0.635	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-58.9	131.7	173.8	-61.8	-67.7	-179.8	167.1	0	110	N212 F215	N212-K217 VanDerWaalsContact O-CE 3.25Å; N212-K217 WeakPolarHBondContact O-CE 3.46Å; N212-K217 PolarHBondContact O-NZ 3.47Å; F215-K217 PolarHBondContact O-N 2.82Å; F215-K217 VanDerWaalsContact O-N 3.15Å
218	K	86.9	Confident	82.8	Confident	184 Å²	184	103.7 Å²	103.7	80%	0.8	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-93.3	148.9	167.8	-65.6	-175.8	178.7	178.1	0	108.6	K216 D220	K216-K218 PolarHBondContact O-N 3.12Å; K218-D220 PolarHBondContact O-N 2.92Å
219	I	76.8	Confident	81.4	Confident	118 Å²	118	106.2 Å²	106.2	61%	0.605	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-67.5	119.5	169.5	-66.8	169.6	0	0	0	106.5	K223 R224	I219-K223 HydrophobicContact CG2-CB 4.13Å; I219-R224 HydrophobicContact CG2-CB 3.86Å; I219-R224 HydrophobicContact CG2-CG 4.5Å
220	D	75.7	Confident	79.7	Confident	75 Å²	75	106.2 Å²	106.2	40%	0.401	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-75.4	154.6	170.4	58.7	-20	0	0	0	109.9	K218 K222 K223 R224	K218-D220 PolarHBondContact O-N 2.92Å; D220-K222 PolarHBondContact O-N 3.28Å; D220-K223 PolarHBondContact O-N 3.46Å; D220-K223 WeakPolarHBondContact OD1-CB 3.47Å; D220-K223 VanDerWaalsContact OD1-CD 3.28Å; D220-K223 WeakPolarHBondContact OD1-CD 3.26Å; D220-K223 WeakPolarHBondContact OD1-CG 3.25Å; D220-K223 PolarHBondContact OD1-N 2.57Å; D220-R224 PolarHBondContact O-N 2.8Å
221	E	60.6	Low	77.8	Confident	150 Å²	150	112.1 Å²	112.1	70%	0.701	52%	0.524	S	S	*	.	H	α-helix	trans	-52.8	-29.6	177.1	-100.5	-178.1	160.7	0	0	112.8	K225	E221-K225 WeakPolarHBondContact O-CB 3.2Å; E221-K225 VanDerWaalsContact O-CG 3.31Å; E221-K225 WeakPolarHBondContact O-CG 3.22Å; E221-K225 PolarHBondContact O-N 3.2Å
222	K	61.9	Low	75.8	Confident	158 Å²	158	112.5 Å²	112.5	69%	0.687	53%	0.533	S	S	*	.	H	α-helix	trans	-67.9	-50.1	174.9	-73	-178.2	178.6	177.6	0	112.2	D220 R224 K225 I226	D220-K222 PolarHBondContact O-N 3.28Å; K222-R224 VanDerWaalsContact C-N 3.28Å; K222-R224 PolarHBondContact O-N 3.05Å; K222-K225 PolarHBondContact O-N 3.14Å; K222-I226 WeakPolarHBondContact O-CD1 3.44Å; K222-I226 VanDerWaalsContact O-CG1 3.26Å; K222-I226 WeakPolarHBondContact O-CG1 3.32Å; K222-I226 PolarHBondContact O-N 3.44Å
223	K	63.2	Low	73.9	Confident	126 Å²	126	116.1 Å²	116.1	55%	0.548	55%	0.547	S	S	.	.	H	α-helix	trans	-65.9	-32.4	174.6	-73.7	174.8	-178	-177.2	0	112.2	I219 D220 I226 I227	I219-K223 HydrophobicContact CG2-CB 4.13Å; D220-K223 PolarHBondContact O-N 3.46Å; D220-K223 WeakPolarHBondContact OD1-CB 3.47Å; D220-K223 VanDerWaalsContact OD1-CD 3.28Å; D220-K223 WeakPolarHBondContact OD1-CD 3.26Å; D220-K223 WeakPolarHBondContact OD1-CG 3.25Å; D220-K223 PolarHBondContact OD1-N 2.57Å; K223-I226 PolarHBondContact O-N 2.84Å; K223-I227 WeakPolarHBondContact O-CB 3.18Å; K223-I227 WeakPolarHBondContact O-CD1 3.39Å; K223-I227 WeakPolarHBondContact O-CG1 3.25Å; K223-I227 PolarHBondContact O-N 3.48Å
224	R	65.8	Low	71.8	Confident	158 Å²	158	120.7 Å²	120.7	60%	0.596	56%	0.563	S	S	*	*	H	α-helix	trans	-60.7	-48.2	174.5	-160.5	178.2	-175.2	155.1	5.4	111.5	I219 D220 K222 I226 I227 E228	I219-R224 HydrophobicContact CG2-CB 3.86Å; I219-R224 HydrophobicContact CG2-CG 4.5Å; D220-R224 PolarHBondContact O-N 2.8Å; K222-R224 VanDerWaalsContact C-N 3.28Å; K222-R224 PolarHBondContact O-N 3.05Å; R224-I226 VanDerWaalsContact C-N 3.32Å; R224-I226 PolarHBondContact O-N 3.34Å; R224-I227 PolarHBondContact O-N 2.86Å; R224-E228 IonicContact NE-OE1 3.3Å; R224-E228 WeakPolarHBondContact O-CB 3.41Å; R224-E228 WeakPolarHBondContact O-CG 3.32Å; R224-E228 PolarHBondContact O-N 3.3Å
225	K	63	Low	69.6	Low	122 Å²	122	125.1 Å²	125.1	53%	0.53	59%	0.591	S	S	.	*	H	α-helix	trans	-63.3	-35	175	-73.2	174.9	-178.9	177.1	0	113	E221 K222 N229	E221-K225 WeakPolarHBondContact O-CB 3.2Å; E221-K225 VanDerWaalsContact O-CG 3.31Å; E221-K225 WeakPolarHBondContact O-CG 3.22Å; E221-K225 PolarHBondContact O-N 3.2Å; K222-K225 PolarHBondContact O-N 3.14Å; K225-N229 VanDerWaalsContact O-CB 3.3Å; K225-N229 WeakPolarHBondContact O-CB 3.27Å; K225-N229 PolarHBondContact O-N 2.93Å; K225-N229 PolarHBondContact O-ND2 2.8Å
226	I	72.1	Confident	67.5	Low	117 Å²	117	126 Å²	126	60%	0.6	61%	0.605	S	S	*	*	H	α-helix	trans	-68.1	-41.3	175.3	-67.2	163.4	0	0	0	111	K222 K223 R224 G230	K222-I226 WeakPolarHBondContact O-CD1 3.44Å; K222-I226 VanDerWaalsContact O-CG1 3.26Å; K222-I226 WeakPolarHBondContact O-CG1 3.32Å; K222-I226 PolarHBondContact O-N 3.44Å; K223-I226 PolarHBondContact O-N 2.84Å; R224-I226 VanDerWaalsContact C-N 3.32Å; R224-I226 PolarHBondContact O-N 3.34Å; I226-G230 PolarHBondContact O-N 2.69Å
227	I	71.8	Confident	65	Low	80 Å²	80	124.6 Å²	124.6	41%	0.41	62%	0.62	S	S	.	*	H	α-helix	trans	-65.2	-47.9	176	-67.1	162.5	0	0	0	110.1	K223 R224 N229 G230 E231	K223-I227 WeakPolarHBondContact O-CB 3.18Å; K223-I227 WeakPolarHBondContact O-CD1 3.39Å; K223-I227 WeakPolarHBondContact O-CG1 3.25Å; K223-I227 PolarHBondContact O-N 3.48Å; R224-I227 PolarHBondContact O-N 2.86Å; I227-N229 VanDerWaalsContact C-N 3.31Å; I227-N229 PolarHBondContact O-N 3.04Å; I227-G230 PolarHBondContact O-N 2.68Å; I227-E231 HydrophobicContact CG2-CG 4.49Å; I227-E231 WeakPolarHBondContact O-CG 3.42Å; I227-E231 PolarHBondContact O-N 3.08Å
228	E	69.8	Low	63.7	Low	90 Å²	90	123.5 Å²	123.5	42%	0.421	62%	0.619	S	S	.	*	H	α-helix	trans	-60.4	-38.7	177.8	-73.4	169	-176.3	0	0	112.1	R224 N232	R224-E228 IonicContact NE-OE1 3.3Å; R224-E228 WeakPolarHBondContact O-CB 3.41Å; R224-E228 WeakPolarHBondContact O-CG 3.32Å; R224-E228 PolarHBondContact O-N 3.3Å; E228-N232 PolarHBondContact O-N 3.29Å; E228-N232 PolarHBondContact O-ND2 3.48Å
229	N	67.8	Low	62.5	Low	105 Å²	105	120.3 Å²	120.3	56%	0.561	61%	0.61	S	S	*	*	H	α-helix	trans	-72.2	-38.3	175.8	-72.6	-11	0	0	0	112.7	K225 I227 N232 E233	K225-N229 VanDerWaalsContact O-CB 3.3Å; K225-N229 WeakPolarHBondContact O-CB 3.27Å; K225-N229 PolarHBondContact O-N 2.93Å; K225-N229 PolarHBondContact O-ND2 2.8Å; I227-N229 VanDerWaalsContact C-N 3.31Å; I227-N229 PolarHBondContact O-N 3.04Å; N229-N232 PolarHBondContact O-N 3.47Å; N229-E233 PolarHBondContact O-N 3.29Å
230	G	63.4	Low	61.7	Low	31 Å²	31	120.4 Å²	120.4	32%	0.32	61%	0.61	S	S	.	*	H	α-helix	trans	-73.8	-24.9	178.4	0	0	0	0	0	114.6	I226 I227	I226-G230 PolarHBondContact O-N 2.69Å; I227-G230 PolarHBondContact O-N 2.68Å
231	E	59.7	Low	60.9	Low	127 Å²	127	123.1 Å²	123.1	59%	0.593	62%	0.622	S	S	*	*	H	α-helix	trans	-74.3	-39.6	170.5	-75.4	-177.9	167.5	0	0	111.5	I227 E233 K234 T235	I227-E231 HydrophobicContact CG2-CG 4.49Å; I227-E231 WeakPolarHBondContact O-CG 3.42Å; I227-E231 PolarHBondContact O-N 3.08Å; E231-E233 VanDerWaalsContact C-N 3.35Å; E231-E233 PolarHBondContact O-N 3.18Å; E231-K234 PolarHBondContact O-N 2.84Å; E231-T235 PolarHBondContact O-N 3.09Å; E231-T235 PolarHBondContact O-OG1 3.01Å; E231-T235 VanDerWaalsContact O-OG1 3.06Å
232	N	56.2	Low	60.9	Low	102 Å²	102	121.4 Å²	121.4	55%	0.545	62%	0.617	S	S	.	*	H	α-helix	trans	-62.4	-37.7	176.3	-82	-28.4	0	0	0	113	E228 N229 K234 T235 V236	E228-N232 PolarHBondContact O-N 3.29Å; E228-N232 PolarHBondContact O-ND2 3.48Å; N229-N232 PolarHBondContact O-N 3.47Å; N232-K234 VanDerWaalsContact C-N 3.32Å; N232-K234 PolarHBondContact O-N 3.49Å; N232-T235 WeakPolarHBondContact CA-OG1 3.21Å; N232-T235 PolarHBondContact O-N 3.19Å; N232-T235 PolarHBondContact O-OG1 3.37Å; N232-T235 VanDerWaalsContact O-OG1 3.05Å; N232-V236 VanDerWaalsContact O-CG2 3.29Å; N232-V236 WeakPolarHBondContact O-CG2 3.2Å
233	E	55.4	Low	60.8	Low	149 Å²	149	119 Å²	119	70%	0.696	61%	0.613	S	S	*	*	H	α-helix	trans	-66.9	-30.7	175.8	-75.1	-178.5	168.2	0	0	113	N229 E231 S237	N229-E233 PolarHBondContact O-N 3.29Å; E231-E233 VanDerWaalsContact C-N 3.35Å; E231-E233 PolarHBondContact O-N 3.18Å; E233-S237 PolarHBondContact O-OG 3.46Å
234	K	54.8	Low	60.7	Low	173 Å²	173	118.5 Å²	118.5	75%	0.752	62%	0.617	S	S	*	*	H	α-helix	trans	-78	-24.9	178.3	-74.2	-177.1	179.6	-179.4	0	113.9	E231 N232	E231-K234 PolarHBondContact O-N 2.84Å; N232-K234 VanDerWaalsContact C-N 3.32Å; N232-K234 PolarHBondContact O-N 3.49Å
235	T	52.1	Low	60.3	Low	113 Å²	113	115.5 Å²	115.5	69%	0.693	62%	0.619	S	S	*	*	S	Bend	trans	-83.9	-9	175.8	32.7	0	0	0	0	114.4	E231 N232	E231-T235 PolarHBondContact O-N 3.09Å; E231-T235 PolarHBondContact O-OG1 3.01Å; E231-T235 VanDerWaalsContact O-OG1 3.06Å; N232-T235 WeakPolarHBondContact CA-OG1 3.21Å; N232-T235 PolarHBondContact O-N 3.19Å; N232-T235 PolarHBondContact O-OG1 3.37Å; N232-T235 VanDerWaalsContact O-OG1 3.05Å
236	V	53	Low	60	Low	128 Å²	128	114.9 Å²	114.9	78%	0.776	63%	0.626	S	S	*	*			trans	-105.4	1.9	-179.4	-176	0	0	0	0	111.9	N232	N232-V236 VanDerWaalsContact O-CG2 3.29Å; N232-V236 WeakPolarHBondContact O-CG2 3.2Å
237	S	44.5	Very low	58.9	Low	164 Å²	164	114.7 Å²	114.7	100%	1.147	63%	0.629	S	S	*	*			trans	-101.5	0	176.8	-57.8	0	0	0	0	112.6	E233	E233-S237 PolarHBondContact O-OG 3.46Å

Retrieved 237 of 237 residues in 599.9 ms (Link to these results)

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