A0A087YI03_POEFO Loading...

Dual specificity protein phosphatase

Dual specificity phosphatase able to dephosphorylate phosphotyrosine, phosphoserine and phosphothreonine residues, with a preference for phosphotyrosine as a substrate.

AlphaFold DB , UniProt , Accession A0A087YI03, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 219 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	45.8	Very low	39.5	Very low	244 Å²	244	174.1 Å²	174.1	100%	1.202	87%	0.869	S	S	*	*				0	104.5	0	-65.5	175.4	-174.8	0	0	108.2
2	K	37.8	Very low	39.3	Very low	208 Å²	208	174.1 Å²	174.1	90%	0.904	86%	0.864	S	S	*	*			trans	-88.9	115.5	-179.5	-68.8	179.2	177.8	179.3	0	108.2	H4	K2-H4 PolarHBondContact O-N 3.27Å
3	K	43.3	Very low	39	Very low	195 Å²	195	170.5 Å²	170.5	85%	0.848	85%	0.85	S	S	*	*			trans	-82.1	110.3	172.3	-74.1	-174.9	178	-178.2	0	108.5	L5	K3-L5 PolarHBondContact O-N 3.09Å
4	H	39.3	Very low	39.1	Very low	191 Å²	191	171.1 Å²	171.1	88%	0.884	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-68.2	116.7	163.5	-93.8	-9.4	0	0	0	108.6	K2	K2-H4 PolarHBondContact O-N 3.27Å
5	L	44.3	Very low	39.5	Very low	159 Å²	159	170.3 Å²	170.3	83%	0.832	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-91.4	117.3	159.7	-100.1	77.5	0	0	0	107.7	K3	K3-L5 PolarHBondContact O-N 3.09Å
6	S	39.4	Very low	39.5	Very low	104 Å²	104	170.4 Å²	170.4	73%	0.727	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-68.5	137.9	167.8	45.2	0	0	0	0	110.5	T8	S6-T8 PolarHBondContact O-N 2.95Å
7	P	39.6	Very low	40	Very low	125 Å²	125	163.5 Å²	163.5	81%	0.812	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.9	124.7	175.9	28.6	-30.9	0	0	0	110.8	K9	P7-K9 PolarHBondContact O-N 2.95Å
8	T	37.1	Very low	40.2	Very low	134 Å²	134	158.6 Å²	158.6	82%	0.822	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-63.7	119.9	173.4	-38.4	0	0	0	0	109.5	S6 Q10	S6-T8 PolarHBondContact O-N 2.95Å; T8-Q10 PolarHBondContact O-N 3.13Å; T8-Q10 VanDerWaalsContact O-N 3.13Å
9	K	36.2	Very low	40.4	Very low	197 Å²	197	156.3 Å²	156.3	86%	0.857	79%	0.789	S	S	*	*			trans	-63.3	110.3	169.4	-74.6	-179.6	176.4	-178.2	0	108.5	P7 Q11	P7-K9 PolarHBondContact O-N 2.95Å; K9-Q11 PolarHBondContact O-N 3.38Å
10	Q	36.9	Very low	40.8	Very low	181 Å²	181	151.3 Å²	151.3	85%	0.846	77%	0.768	S	S	*	*			trans	-69.9	114.5	163.8	-82.3	179.2	-16.4	0	0	107.7	T8 H12	T8-Q10 PolarHBondContact O-N 3.13Å; T8-Q10 VanDerWaalsContact O-N 3.13Å; Q10-H12 PolarHBondContact O-N 3.34Å
11	Q	34.8	Very low	41.2	Very low	177 Å²	177	146.2 Å²	146.2	83%	0.827	75%	0.745	S	S	*	*			trans	-63	125.1	168.4	-79.4	170	-18.2	0	0	108.1	K9 D13	K9-Q11 PolarHBondContact O-N 3.38Å; Q11-D13 PolarHBondContact O-N 3.46Å
12	H	37.2	Very low	41.2	Very low	174 Å²	174	141 Å²	141	81%	0.806	73%	0.728	S	S	*	*			trans	-70.1	96.3	168.2	-78.7	-87	0	0	0	107.7	Q10 H14	Q10-H12 PolarHBondContact O-N 3.34Å; H12-H14 VanDerWaalsContact C-N 3.34Å; H12-H14 PolarHBondContact O-N 3.49Å
13	D	35.8	Very low	41.6	Very low	127 Å²	127	138 Å²	138	68%	0.679	72%	0.721	S	S	*	*			trans	-66.4	98.5	165.6	-87.6	-29.4	0	0	0	108.3	Q11 H15	Q11-D13 PolarHBondContact O-N 3.46Å; D13-H15 PolarHBondContact O-N 2.97Å; D13-H15 PolarHBondContact O-ND1 3.4Å
14	H	39.3	Very low	42.1	Very low	180 Å²	180	130.3 Å²	130.3	83%	0.833	69%	0.689	S	S	*	*			trans	-57.6	92.9	159.4	-76.6	-74.1	0	0	0	107.6	H12 Q16	H12-H14 VanDerWaalsContact C-N 3.34Å; H12-H14 PolarHBondContact O-N 3.49Å; H14-Q16 PolarHBondContact O-N 3.49Å
15	H	45.8	Very low	42.4	Very low	159 Å²	159	125.7 Å²	125.7	74%	0.736	68%	0.676	S	S	*	*			trans	-64.6	91.2	168.9	-82.2	56.9	0	0	0	107.2	D13	D13-H15 PolarHBondContact O-N 2.97Å; D13-H15 PolarHBondContact O-ND1 3.4Å
16	Q	38.9	Very low	42.8	Very low	171 Å²	171	123.1 Å²	123.1	80%	0.799	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-54.5	135.5	162.4	-85.5	-178.1	-34.4	0	0	107.4	H14	H14-Q16 PolarHBondContact O-N 3.49Å
17	P	48.5	Very low	43.2	Very low	54 Å²	54	120.4 Å²	120.4	35%	0.351	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-57.3	147.7	172	25.7	-32.5	0	0	0	109.2	F58	P17-F58 HydrophobicContact CB-CE1 4.38Å; P17-F58 HydrophobicContact CB-CE2 3.53Å; P17-F58 HydrophobicContact CB-CZ 3.36Å; P17-F58 HydrophobicContact CG-CE2 4.49Å; P17-F58 HydrophobicContact CG-CZ 4.05Å
18	P	43.3	Very low	43.9	Very low	75 Å²	75	119.2 Å²	119.2	49%	0.487	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-53.4	142.5	178.4	23.5	-33.1	0	0	0	109.6
19	P	44.7	Very low	45.3	Very low	114 Å²	114	115 Å²	115	74%	0.74	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-57.4	143.1	176.1	24.8	-32.7	0	0	0	109
20	P	47.7	Very low	47.6	Very low	57 Å²	57	112.1 Å²	112.1	37%	0.37	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-58.3	153.1	176.6	25.6	-33.5	0	0	0	110.4	T22 T175	P20-T22 PolarHBondContact O-N 2.89Å; P20-T175 HydrophobicContact CB-CG2 3.49Å; P20-T175 VanDerWaalsContact CB-CG2 3.49Å; P20-T175 HydrophobicContact CG-CG2 4.29Å
21	P	49.5	Very low	50.3	Low	44 Å²	44	103.7 Å²	103.7	29%	0.286	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-51.8	134.8	177.5	-22.7	31.3	0	0	0	111.5	D23 I24	P21-D23 PolarHBondContact O-N 3.22Å; P21-I24 HydrophobicContact CB-CD1 4.5Å; P21-I24 HydrophobicContact CB-CG1 4.34Å; P21-I24 HydrophobicContact CG-CD1 4.48Å
22	T	46.5	Very low	53.3	Low	136 Å²	136	98 Å²	98	83%	0.834	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-7.2	-172.4	40.1	0	0	0	0	115	P20	P20-T22 PolarHBondContact O-N 2.89Å
23	D	45.7	Very low	56.2	Low	143 Å²	143	91.3 Å²	91.3	77%	0.765	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	14.7	-172.5	-57.3	-30.7	0	0	0	113.6	P21 P25	P21-D23 PolarHBondContact O-N 3.22Å; D23-P25 VanDerWaalsContact O-CD 3.31Å; D23-P25 WeakPolarHBondContact O-CD 3.49Å
24	I	53.5	Low	59.1	Low	34 Å²	34	89.9 Å²	89.9	17%	0.174	55%	0.546	C	S	.	.	S	Bend	trans	-73.2	120.2	172.6	-54.8	-178.8	0	0	0	107.2	P21 A26 R174 A178	P21-I24 HydrophobicContact CB-CD1 4.5Å; P21-I24 HydrophobicContact CB-CG1 4.34Å; P21-I24 HydrophobicContact CG-CD1 4.48Å; I24-A26 PolarHBondContact O-N 2.67Å; I24-R174 HydrophobicContact CG2-CB 4.06Å; I24-A178 HydrophobicContact CD1-CB 3.8Å; I24-A178 HydrophobicContact CG1-CB 4.5Å
25	P	46.1	Very low	61.8	Low	94 Å²	94	84.1 Å²	84.1	61%	0.61	52%	0.52	S	S	*	.			trans	-55.2	114.4	177.1	-22.2	32	0	0	0	109.6	D23 A27	D23-P25 VanDerWaalsContact O-CD 3.31Å; D23-P25 WeakPolarHBondContact O-CD 3.49Å; P25-A27 PolarHBondContact O-N 2.89Å
26	A	52.1	Low	64.3	Low	105 Å²	105	76.5 Å²	76.5	87%	0.868	49%	0.485	S	S	*	.			trans	-69.6	102.7	167.6	0	0	0	0	0	107.1	I24	I24-A26 PolarHBondContact O-N 2.67Å
27	A	48.2	Very low	67.1	Low	48 Å²	48	69.8 Å²	69.8	40%	0.397	45%	0.454	S	S	.	.			trans	-132.7	112.8	173.8	0	0	0	0	0	109.5	P25 G29 R174	P25-A27 PolarHBondContact O-N 2.89Å; A27-G29 PolarHBondContact O-N 3.46Å; A27-R174 PolarHBondContact O-NH2 3.19Å
28	G	54.3	Low	69.4	Low	99 Å²	99	73.2 Å²	73.2	100%	1.021	47%	0.465	S	S	*	.			trans	-66.5	52.5	171.5	0	0	0	0	0	113.4
29	G	66.1	Low	71.9	Confident	45 Å²	45	72.2 Å²	72.2	46%	0.464	46%	0.456	S	S	.	.	S	Bend	trans	-122.7	164.3	172.9	0	0	0	0	0	111.6	A27 V31	A27-G29 PolarHBondContact O-N 3.46Å; G29-V31 PolarHBondContact O-N 3.26Å
30	E	85.8	Confident	74.4	Confident	138 Å²	138	66.8 Å²	66.8	65%	0.645	42%	0.421	S	S	*	.			trans	-56.3	128.9	173.7	-171.7	179.3	167.2	0	0	110.5	T32	E30-T32 PolarHBondContact O-N 2.87Å
31	V	93.6	Very high	76.6	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.024	41%	0.413	C	S	.	.			trans	-74.8	124.3	177.7	179.3	0	0	0	0	108.6	G29 L36 A173 R174 C197 N200	G29-V31 PolarHBondContact O-N 3.26Å; V31-L36 HydrophobicContact CG1-CD1 4.29Å; V31-L36 HydrophobicContact CG1-CD2 3.73Å; V31-L36 HydrophobicContact CG1-CG 3.95Å; V31-A173 HydrophobicContact CG1-CB 4.12Å; V31-R174 HydrophobicContact CG1-CG 4.03Å; V31-R174 HydrophobicContact CG2-CG 4.33Å; V31-C197 WeakPolarHBondContact O-CB 3.41Å; V31-C197 PolarHBondContact O-SG 3.31Å; V31-N200 WeakPolarHBondContact CG2-ND2 3.38Å
32	T	96.8	Very high	78.5	Confident	58 Å²	58	65.7 Å²	65.7	36%	0.356	41%	0.412	S	S	.	.			trans	-107.4	159.7	-178.4	73.7	0	0	0	0	112.7	E30 N34 E35 L36	E30-T32 PolarHBondContact O-N 2.87Å; T32-N34 PolarHBondContact O-N 3.4Å; T32-E35 PolarHBondContact O-N 3.45Å; T32-E35 WeakPolarHBondContact OG1-CG 3.16Å; T32-E35 PolarHBondContact OG1-N 3.41Å; T32-L36 WeakPolarHBondContact O-CG 3.23Å; T32-L36 PolarHBondContact O-N 3.3Å; T32-L36 VanDerWaalsContact O-N 3.13Å
33	V	97.4	Very high	80.3	Confident	32 Å²	32	63.8 Å²	63.8	19%	0.194	42%	0.419	C	S	.	.	H	α-helix	trans	-60	-36.9	174.3	175.2	0	0	0	0	111.6	L36 N37 D190 L193 L194	V33-L36 PolarHBondContact O-N 3.37Å; V33-N37 WeakPolarHBondContact O-CB 3.34Å; V33-N37 PolarHBondContact O-N 2.98Å; V33-N37 PolarHBondContact O-ND2 3.26Å; V33-D190 HydrophobicContact CG1-CB 4.08Å; V33-L193 HydrophobicContact CG1-CB 4.03Å; V33-L193 HydrophobicContact CG1-CD1 4.17Å; V33-L193 HydrophobicContact CG2-CB 4.25Å; V33-L194 HydrophobicContact CG2-CB 3.89Å; V33-L194 HydrophobicContact CG2-CD1 4.28Å
34	N	97	Very high	82.4	Confident	97 Å²	97	60.9 Å²	60.9	52%	0.519	41%	0.41	S	S	.	.	H	α-helix	trans	-64.7	-45.1	179	-172.2	72.9	0	0	0	111.6	T32 L36 N37 E38	T32-N34 PolarHBondContact O-N 3.4Å; N34-L36 VanDerWaalsContact C-N 3.29Å; N34-L36 PolarHBondContact O-N 3.06Å; N34-N37 WeakPolarHBondContact O-CB 3.41Å; N34-N37 PolarHBondContact O-N 2.95Å; N34-N37 VanDerWaalsContact O-N 3.16Å; N34-E38 PolarHBondContact ND2-OE1 3.19Å; N34-E38 WeakPolarHBondContact O-CG 3.48Å; N34-E38 PolarHBondContact O-N 2.98Å
35	E	96.4	Very high	84.1	Confident	59 Å²	59	61.5 Å²	61.5	28%	0.276	43%	0.425	S	S	.	.	H	α-helix	trans	-58.2	-42.9	174.2	-73.8	-177.7	176.4	0	0	111.6	T32 N37 E38 L39 R174	T32-E35 PolarHBondContact O-N 3.45Å; T32-E35 WeakPolarHBondContact OG1-CG 3.16Å; T32-E35 PolarHBondContact OG1-N 3.41Å; E35-N37 VanDerWaalsContact C-N 3.34Å; E35-E38 PolarHBondContact O-N 3.44Å; E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.13Å; E35-R174 IonicContact OE1-NH1 3.77Å; E35-R174 IonicContact OE2-CZ 3.81Å; E35-R174 IonicContact OE2-NH1 2.77Å; E35-R174 PolarHBondContact OE2-NH1 2.6Å
36	L	97.9	Very high	86.3	Confident	0 Å²	0	64 Å²	64	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-66.1	-38	177.5	-64.1	-172.4	0	0	0	112	V31 T32 V33 N34 L39 L40 A173 R174 L177 L193	V31-L36 HydrophobicContact CG1-CD1 4.29Å; V31-L36 HydrophobicContact CG1-CD2 3.73Å; V31-L36 HydrophobicContact CG1-CG 3.95Å; T32-L36 WeakPolarHBondContact O-CG 3.23Å; T32-L36 PolarHBondContact O-N 3.3Å; T32-L36 VanDerWaalsContact O-N 3.13Å; V33-L36 PolarHBondContact O-N 3.37Å; N34-L36 VanDerWaalsContact C-N 3.29Å; N34-L36 PolarHBondContact O-N 3.06Å; L36-L39 HydrophobicContact CD2-CD1 4.23Å; L36-L39 WeakPolarHBondContact O-CB 3.33Å; L36-L39 PolarHBondContact O-N 2.97Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 2.98Å; L36-L40 PolarHBondContact O-N 2.84Å; L36-A173 HydrophobicContact CD2-CB 4.39Å; L36-R174 HydrophobicContact CD2-CG 4.02Å; L36-L177 HydrophobicContact CB-CD2 3.73Å; L36-L177 HydrophobicContact CD1-CD2 4.45Å; L36-L177 HydrophobicContact CD2-CD2 3.82Å; L36-L177 HydrophobicContact CG-CD2 4.19Å; L36-L193 HydrophobicContact CB-CD1 4.28Å; L36-L193 HydrophobicContact CB-CD2 4.14Å; L36-L193 HydrophobicContact CD1-CB 4.23Å; L36-L193 HydrophobicContact CD1-CD2 4.1Å
37	N	97.8	Very high	88.4	Confident	30 Å²	30	63.3 Å²	63.3	16%	0.16	40%	0.402	C	S	.	.	H	α-helix	trans	-63.9	-39.1	175.4	-83	-26.2	0	0	0	112.2	V33 N34 E35 L39 L40 S41 Y47 D190 L193	V33-N37 WeakPolarHBondContact O-CB 3.34Å; V33-N37 PolarHBondContact O-N 2.98Å; V33-N37 PolarHBondContact O-ND2 3.26Å; N34-N37 WeakPolarHBondContact O-CB 3.41Å; N34-N37 PolarHBondContact O-N 2.95Å; N34-N37 VanDerWaalsContact O-N 3.16Å; E35-N37 VanDerWaalsContact C-N 3.34Å; N37-L39 VanDerWaalsContact C-N 3.27Å; N37-L39 PolarHBondContact O-N 2.95Å; N37-L40 PolarHBondContact O-N 2.85Å; N37-L40 VanDerWaalsContact O-N 3.09Å; N37-S41 PolarHBondContact O-N 3.19Å; N37-S41 PolarHBondContact O-OG 3.24Å; N37-Y47 VanDerWaalsContact CA-OH 3.27Å; N37-Y47 WeakPolarHBondContact CA-OH 3.12Å; N37-Y47 WeakPolarHBondContact CB-OH 3.24Å; N37-Y47 PolarHBondContact O-OH 3.25Å; N37-Y47 PolarHBondContact OD1-OH 2.81Å; N37-D190 PolarHBondContact ND2-OD1 2.83Å; N37-L193 WeakPolarHBondContact OD1-CD1 3.3Å
38	E	96.4	Very high	90.7	Very high	125 Å²	125	64.3 Å²	64.3	58%	0.584	40%	0.4	S	S	*	.	H	α-helix	trans	-63.5	-31.2	174.6	-72.1	171	-175.5	0	0	112.8	N34 E35 L40 S41	N34-E38 PolarHBondContact ND2-OE1 3.19Å; N34-E38 WeakPolarHBondContact O-CG 3.48Å; N34-E38 PolarHBondContact O-N 2.98Å; E35-E38 PolarHBondContact O-N 3.44Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 3.45Å; E38-S41 PolarHBondContact O-OG 3.28Å
39	L	96.3	Very high	92.7	Very high	54 Å²	54	65.5 Å²	65.5	28%	0.283	38%	0.382	S	S	.	.	H	α-helix	trans	-72.7	-20.1	174	-66.9	174	0	0	0	113.4	E35 L36 N37 R174	E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.13Å; L36-L39 HydrophobicContact CD2-CD1 4.23Å; L36-L39 WeakPolarHBondContact O-CB 3.33Å; L36-L39 PolarHBondContact O-N 2.97Å; N37-L39 VanDerWaalsContact C-N 3.27Å; N37-L39 PolarHBondContact O-N 2.95Å; L39-R174 HydrophobicContact CD1-CB 3.85Å; L39-R174 HydrophobicContact CD1-CG 4.05Å
40	L	97	Very high	94.2	Very high	1 Å²	1	65 Å²	65	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-93.2	-33.9	-174.9	-67.7	173.7	0	0	0	112.7	L36 N37 E38 Y47 L177 R181 I186 L193	L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 2.98Å; L36-L40 PolarHBondContact O-N 2.84Å; N37-L40 PolarHBondContact O-N 2.85Å; N37-L40 VanDerWaalsContact O-N 3.09Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 3.45Å; L40-Y47 HydrophobicContact CB-CD1 4.13Å; L40-Y47 HydrophobicContact CB-CE1 3.44Å; L40-Y47 VanDerWaalsContact CB-CE1 3.44Å; L40-Y47 HydrophobicContact CD1-CE1 4.06Å; L40-Y47 HydrophobicContact CG-CE1 4.4Å; L40-L177 HydrophobicContact CD1-CD2 4.2Å; L40-L177 HydrophobicContact CD2-CD1 4.01Å; L40-L177 HydrophobicContact CD2-CD2 4.02Å; L40-L177 HydrophobicContact CD2-CG 3.96Å; L40-L177 HydrophobicContact CG-CD2 3.98Å; L40-L177 HydrophobicContact CG-CG 4.47Å; L40-R181 HydrophobicContact CD2-CB 4.31Å; L40-R181 HydrophobicContact CD2-CG 4.15Å; L40-R181 PolarHBondContact O-NE 2.79Å; L40-R181 PolarHBondContact O-NH2 3.12Å; L40-I186 HydrophobicContact CD2-CD1 4.05Å; L40-I186 HydrophobicContact CD2-CG1 3.71Å; L40-L193 HydrophobicContact CD1-CD1 4.14Å; L40-L193 HydrophobicContact CD1-CD2 4.23Å
41	S	93.8	Very high	94.7	Very high	29 Å²	29	63.7 Å²	63.7	20%	0.203	37%	0.373	C	S	.	.	S	Bend	trans	-71.8	158.8	176.9	56	0	0	0	0	112.2	N37 E38 F46	N37-S41 PolarHBondContact O-N 3.19Å; N37-S41 PolarHBondContact O-OG 3.24Å; E38-S41 PolarHBondContact O-OG 3.28Å; S41-F46 CarbonylContact C-O 3.4Å; S41-F46 VanDerWaalsContact CA-O 3.3Å; S41-F46 WeakPolarHBondContact CA-O 3.24Å
42	D	90.4	Very high	94.9	Very high	49 Å²	49	69 Å²	69	26%	0.262	40%	0.398	S	S	.	.			trans	-80.9	-180	168.4	59.3	33.8	0	0	0	112.1	S44 G45 F46 N48	D42-S44 PolarHBondContact O-N 2.81Å; D42-S44 WeakPolarHBondContact OD1-CA 3.3Å; D42-S44 WeakPolarHBondContact OD1-CB 3.29Å; D42-S44 PolarHBondContact OD1-N 3.05Å; D42-S44 PolarHBondContact OD1-OG 2.69Å; D42-G45 PolarHBondContact O-N 2.77Å; D42-G45 PolarHBondContact OD1-N 2.72Å; D42-F46 PolarHBondContact N-O 2.96Å; D42-F46 PolarHBondContact OD1-N 3Å; D42-N48 PolarHBondContact OD2-ND2 2.92Å
43	G	84.6	Confident	95	Very high	96 Å²	96	69.9 Å²	69.9	99%	0.99	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-7.8	178.7	0	0	0	0	0	115.1
44	S	90	Very high	95	Very high	82 Å²	82	70.5 Å²	70.5	57%	0.573	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	1.5	172.2	46.4	0	0	0	0	113.9	D42 F46	D42-S44 PolarHBondContact O-N 2.81Å; D42-S44 WeakPolarHBondContact OD1-CA 3.3Å; D42-S44 WeakPolarHBondContact OD1-CB 3.29Å; D42-S44 PolarHBondContact OD1-N 3.05Å; D42-S44 PolarHBondContact OD1-OG 2.69Å; S44-F46 WeakPolarHBondContact OG-CD2 3.47Å
45	G	88.6	Confident	95.1	Very high	47 Å²	47	67 Å²	67	49%	0.485	38%	0.379	S	S	.	.	S	Bend	trans	83.1	8.3	179.7	0	0	0	0	0	114.4	D42	D42-G45 PolarHBondContact O-N 2.77Å; D42-G45 PolarHBondContact OD1-N 2.72Å
46	F	92.8	Very high	95.2	Very high	145 Å²	145	68.2 Å²	68.2	64%	0.636	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-95.2	148.6	-179.7	-67.2	-72.8	0	0	0	112.4	S41 D42 S44	S41-F46 CarbonylContact C-O 3.4Å; S41-F46 VanDerWaalsContact CA-O 3.3Å; S41-F46 WeakPolarHBondContact CA-O 3.24Å; D42-F46 PolarHBondContact N-O 2.96Å; D42-F46 PolarHBondContact OD1-N 3Å; S44-F46 WeakPolarHBondContact OG-CD2 3.47Å
47	Y	94.8	Very high	95.3	Very high	92 Å²	92	68.4 Å²	68.4	36%	0.361	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-89.6	126.6	173	-75.1	-100.7	0	0	0	110.2	N37 L40 Y154	N37-Y47 VanDerWaalsContact CA-OH 3.27Å; N37-Y47 WeakPolarHBondContact CA-OH 3.12Å; N37-Y47 WeakPolarHBondContact CB-OH 3.24Å; N37-Y47 PolarHBondContact O-OH 3.25Å; N37-Y47 PolarHBondContact OD1-OH 2.81Å; L40-Y47 HydrophobicContact CB-CD1 4.13Å; L40-Y47 HydrophobicContact CB-CE1 3.44Å; L40-Y47 VanDerWaalsContact CB-CE1 3.44Å; L40-Y47 HydrophobicContact CD1-CE1 4.06Å; L40-Y47 HydrophobicContact CG-CE1 4.4Å; Y47-Y154 WeakPolarHBondContact CB-OH 3.26Å
48	N	96.3	Very high	95.3	Very high	68 Å²	68	67.6 Å²	67.6	36%	0.364	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-90.9	141.4	176.5	-70	-73.4	0	0	0	110.3	D42 Y154 E185	D42-N48 PolarHBondContact OD2-ND2 2.92Å; N48-Y154 WeakPolarHBondContact O-CE2 3.38Å; N48-E185 HydrophobicContact CB-CB 4.33Å; N48-E185 HydrophobicContact CB-CG 3.86Å; N48-E185 WeakPolarHBondContact O-CB 3.37Å
49	L	97.1	Very high	95.4	Very high	124 Å²	124	64 Å²	64	65%	0.649	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-85.2	155.4	173.4	-66.8	179	0	0	0	110.8	T51 Y154	L49-T51 PolarHBondContact O-N 3.19Å; L49-Y154 HydrophobicContact CD2-CE2 4.2Å
50	P	97.3	Very high	95.5	Very high	36 Å²	36	65 Å²	65	23%	0.234	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-58.6	127.3	-179.9	-20.7	29.9	0	0	0	112.5	Y154 R184 E185	P50-Y154 HydrophobicContact CG-CD2 3.9Å; P50-R184 VanDerWaalsContact CB-NH2 3.26Å; P50-E185 WeakPolarHBondContact CA-OE2 3.28Å; P50-E185 WeakPolarHBondContact CG-O 3.32Å
51	T	96.5	Very high	95.6	Very high	109 Å²	109	65 Å²	65	67%	0.669	37%	0.368	S	S	*	.	S	Bend	trans	-83.7	-19.3	179.2	56.9	0	0	0	0	113.2	L49 E185	L49-T51 PolarHBondContact O-N 3.19Å; T51-E185 PolarHBondContact N-OE2 3.03Å
52	Q	97.9	Very high	95.9	Very high	117 Å²	117	64.3 Å²	64.3	55%	0.547	36%	0.361	S	S	.	.	S	Bend	trans	-125.8	155.8	180	-59.2	-175.1	26.1	0	0	111.4	F54 R184	Q52-F54 VanDerWaalsContact C-N 3.25Å; Q52-F54 PolarHBondContact O-N 3.29Å; Q52-R184 PolarHBondContact O-NH1 3.05Å
53	H	98.4	Very high	96.3	Very high	76 Å²	76	62 Å²	62	35%	0.352	35%	0.348	S	S	.	.	S	Bend	trans	-63.8	-29.8	178.7	-67.6	-58.5	0	0	0	113.9	G64 N65 F67 V68	H53-G64 CarbonylContact O-C 3.58Å; H53-G64 WeakPolarHBondContact O-CA 3.2Å; H53-N65 PolarHBondContact ND1-ND2 3.12Å; H53-N65 VanDerWaalsContact ND1-ND2 3.19Å; H53-N65 PolarHBondContact O-N 3.47Å; H53-F67 AromaticContact CD2-CD1 3.89Å; H53-F67 AromaticContact CE1-CD1 3.57Å; H53-F67 AromaticContact CG-CD1 3.9Å; H53-F67 AromaticContact ND1-CD1 3.71Å; H53-F67 AromaticContact NE2-CD1 3.66Å; H53-F67 AromaticContact NE2-CE1 3.69Å; H53-V68 HydrophobicContact CB-CG2 3.64Å
54	F	98.6	Very high	96.9	Very high	45 Å²	45	57.4 Å²	57.4	20%	0.197	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	159.6	178	69.6	-85.2	0	0	0	110.9	Q52 Y62 I63 V68 L78 Y147	Q52-F54 VanDerWaalsContact C-N 3.25Å; Q52-F54 PolarHBondContact O-N 3.29Å; F54-Y62 AromaticContact CD2-CD1 3.93Å; F54-Y62 HydrophobicContact CD2-CD1 3.93Å; F54-Y62 HydrophobicContact CE2-CD1 4.24Å; F54-Y62 HydrophobicContact CE2-CE1 4.48Å; F54-I63 CarbonylContact C-O 3.56Å; F54-I63 WeakPolarHBondContact CA-O 3.25Å; F54-I63 WeakPolarHBondContact CB-O 3.21Å; F54-V68 HydrophobicContact CD1-CG1 4.49Å; F54-V68 HydrophobicContact CD1-CG2 3.88Å; F54-L78 HydrophobicContact CD2-CD2 3.82Å; F54-L78 HydrophobicContact CE1-CD1 4.46Å; F54-L78 HydrophobicContact CE1-CD2 4.08Å; F54-L78 HydrophobicContact CE2-CD2 3.32Å; F54-L78 HydrophobicContact CE2-CG 4.28Å; F54-L78 HydrophobicContact CG-CD2 4.42Å; F54-L78 HydrophobicContact CZ-CD1 4.17Å; F54-L78 HydrophobicContact CZ-CD2 3.46Å; F54-L78 VanDerWaalsContact CZ-CD2 3.46Å; F54-L78 HydrophobicContact CZ-CG 4.08Å; F54-Y147 HydrophobicContact CB-CE2 3.72Å; F54-Y147 HydrophobicContact CG-CE2 4.32Å
55	N	98.8	Very high	97.3	Very high	24 Å²	24	54.5 Å²	54.5	13%	0.128	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	147.5	173.9	-57.5	82	0	0	0	109.3	V57 Y62 I63 K183 R184	N55-V57 HydrophobicContact CB-CG1 4.3Å; N55-V57 PolarHBondContact O-N 2.95Å; N55-Y62 VanDerWaalsContact O-CA 3.29Å; N55-Y62 WeakPolarHBondContact O-CA 3.46Å; N55-I63 PolarHBondContact N-O 3.37Å; N55-I63 PolarHBondContact O-N 3.45Å; N55-K183 VanDerWaalsContact CB-O 3.31Å; N55-K183 WeakPolarHBondContact CB-O 3.47Å; N55-K183 VanDerWaalsContact CG-O 3.22Å; N55-K183 PolarHBondContact ND2-O 3.49Å; N55-K183 VanDerWaalsContact ND2-O 3.12Å; N55-R184 HydrophobicContact CB-CB 4.04Å; N55-R184 WeakPolarHBondContact OD1-CG 3.41Å; N55-R184 PolarHBondContact OD1-NH1 3.04Å
56	E	98.8	Very high	97.8	Very high	84 Å²	84	52.7 Å²	52.7	39%	0.393	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	109	164.2	-166.2	166.7	173.1	0	0	108.2	F58 R60 Y62	E56-F58 WeakPolarHBondContact CG-O 3.38Å; E56-R60 WeakPolarHBondContact OE1-CA 3.27Å; E56-R60 PolarHBondContact OE1-N 3.49Å; E56-Y62 HydrophobicContact CB-CD1 3.77Å; E56-Y62 HydrophobicContact CB-CE1 3.52Å; E56-Y62 HydrophobicContact CG-CD1 4.24Å; E56-Y62 HydrophobicContact CG-CE1 3.86Å; E56-Y62 HydrophobicContact CG-CE2 4.43Å; E56-Y62 VanDerWaalsContact OE2-CZ 3.3Å; E56-Y62 PolarHBondContact OE2-OH 3.25Å
57	V	98.7	Very high	98.1	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-19.6	-173.3	-59.9	0	0	0	0	112.7	N55 I61 I63 V161 V180 K183 R184	N55-V57 HydrophobicContact CB-CG1 4.3Å; N55-V57 PolarHBondContact O-N 2.95Å; V57-I61 HydrophobicContact CG2-CG2 4.45Å; V57-I61 PolarHBondContact N-O 2.86Å; V57-I63 HydrophobicContact CB-CD1 4.45Å; V57-I63 HydrophobicContact CG1-CB 4.15Å; V57-I63 HydrophobicContact CG1-CD1 4.06Å; V57-I63 HydrophobicContact CG1-CG1 4.15Å; V57-I63 HydrophobicContact CG2-CD1 3.77Å; V57-I63 HydrophobicContact CG2-CG1 3.75Å; V57-V161 HydrophobicContact CG2-CG1 3.96Å; V57-V180 HydrophobicContact CB-CG1 4.07Å; V57-V180 HydrophobicContact CG1-CG1 4.07Å; V57-V180 HydrophobicContact CG2-CG1 4.27Å; V57-K183 HydrophobicContact CB-CB 4.15Å; V57-K183 HydrophobicContact CG1-CB 4Å; V57-R184 HydrophobicContact CG1-CB 3.99Å
58	F	98.7	Very high	98.2	Very high	14 Å²	14	47 Å²	47	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154	175.5	-166.1	-100.7	0	0	0	107.6	P17 E56 R60 I61 L165 H169 M171 T179	P17-F58 HydrophobicContact CB-CE1 4.38Å; P17-F58 HydrophobicContact CB-CE2 3.53Å; P17-F58 HydrophobicContact CB-CZ 3.36Å; P17-F58 HydrophobicContact CG-CE2 4.49Å; P17-F58 HydrophobicContact CG-CZ 4.05Å; E56-F58 WeakPolarHBondContact CG-O 3.38Å; F58-R60 PolarHBondContact O-N 3.31Å; F58-I61 HydrophobicContact CB-CB 4.17Å; F58-I61 HydrophobicContact CB-CD1 4.14Å; F58-I61 HydrophobicContact CB-CG1 4.4Å; F58-I61 HydrophobicContact CD1-CD1 3.78Å; F58-I61 HydrophobicContact CD1-CG1 4.36Å; F58-I61 HydrophobicContact CG-CD1 4.36Å; F58-I61 PolarHBondContact N-O 3.43Å; F58-I61 PolarHBondContact O-N 3.24Å; F58-I61 VanDerWaalsContact O-O 3.13Å; F58-L165 HydrophobicContact CB-CD2 4.37Å; F58-L165 HydrophobicContact CD1-CD2 3.93Å; F58-L165 HydrophobicContact CD2-CD1 4.37Å; F58-L165 HydrophobicContact CD2-CD2 3.66Å; F58-L165 HydrophobicContact CE1-CD2 4.05Å; F58-L165 HydrophobicContact CE2-CD2 3.78Å; F58-L165 HydrophobicContact CG-CD2 3.72Å; F58-L165 HydrophobicContact CZ-CD2 3.95Å; F58-H169 AromaticContact CE1-CE1 3.43Å; F58-H169 VanDerWaalsContact CE1-CE1 3.43Å; F58-H169 WeakPolarHBondContact CE1-CE1 3.36Å; F58-H169 AromaticContact CE1-ND1 3.97Å; F58-H169 AromaticContact CE1-NE2 3.46Å; F58-H169 WeakPolarHBondContact CE1-NE2 3.29Å; F58-H169 AromaticContact CZ-CE1 3.58Å; F58-H169 AromaticContact CZ-CG 3.95Å; F58-H169 AromaticContact CZ-ND1 3.62Å; F58-H169 AromaticContact CZ-NE2 3.86Å; F58-M171 HydrophobicContact CE2-CE 4.03Å; F58-T179 HydrophobicContact CD2-CG2 4.23Å
59	P	98.4	Very high	98.3	Very high	48 Å²	48	43.8 Å²	43.8	31%	0.312	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	115.9	-176.3	-32.8	36.7	0	0	0	113.4	I61	P59-I61 PolarHBondContact O-N 3.41Å
60	R	98.6	Very high	98.3	Very high	76 Å²	76	42.1 Å²	42.1	29%	0.287	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	9.2	-179.7	-55.4	178.3	-70.3	137.4	-11.1	115.8	E56 F58 L137 G142 G144 K145 V146	E56-R60 WeakPolarHBondContact OE1-CA 3.27Å; E56-R60 PolarHBondContact OE1-N 3.49Å; F58-R60 PolarHBondContact O-N 3.31Å; R60-L137 HydrophobicContact CB-CD2 3.74Å; R60-L137 PolarHBondContact NH1-O 2.97Å; R60-G142 PolarHBondContact NH1-O 3.33Å; R60-G142 PolarHBondContact NH2-O 3.02Å; R60-G144 WeakPolarHBondContact CD-O 3.33Å; R60-G144 PolarHBondContact NH1-O 2.84Å; R60-K145 HydrophobicContact CB-CG 4.04Å; R60-K145 HydrophobicContact CG-CG 4.2Å; R60-K145 WeakPolarHBondContact O-CA 3.42Å; R60-V146 PolarHBondContact O-N 2.98Å
61	I	98.9	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.2	173.1	-51.1	179.1	0	0	0	109	V57 F58 P59 I133 L137 V148 V161 Y164	V57-I61 HydrophobicContact CG2-CG2 4.45Å; V57-I61 PolarHBondContact N-O 2.86Å; F58-I61 HydrophobicContact CB-CB 4.17Å; F58-I61 HydrophobicContact CB-CD1 4.14Å; F58-I61 HydrophobicContact CB-CG1 4.4Å; F58-I61 HydrophobicContact CD1-CD1 3.78Å; F58-I61 HydrophobicContact CD1-CG1 4.36Å; F58-I61 HydrophobicContact CG-CD1 4.36Å; F58-I61 PolarHBondContact N-O 3.43Å; F58-I61 PolarHBondContact O-N 3.24Å; F58-I61 VanDerWaalsContact O-O 3.13Å; P59-I61 PolarHBondContact O-N 3.41Å; I61-I133 HydrophobicContact CD1-CG2 3.9Å; I61-I133 HydrophobicContact CG1-CG2 4.35Å; I61-L137 HydrophobicContact CD1-CD1 4Å; I61-L137 HydrophobicContact CG1-CD1 4.09Å; I61-L137 HydrophobicContact CG1-CD2 4.06Å; I61-V148 HydrophobicContact CG2-CG2 4.32Å; I61-V161 HydrophobicContact CG2-CG1 4.09Å; I61-V161 HydrophobicContact CG2-CG2 4.18Å; I61-Y164 HydrophobicContact CD1-CD1 3.87Å; I61-Y164 HydrophobicContact CD1-CE1 3.42Å; I61-Y164 VanDerWaalsContact CD1-CE1 3.42Å
62	Y	98.9	Very high	98.4	Very high	16 Å²	16	39 Å²	39	6%	0.063	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.3	177.9	-60.6	-94.4	0	0	0	109.7	F54 N55 E56 K145 V146 V148	F54-Y62 AromaticContact CD2-CD1 3.93Å; F54-Y62 HydrophobicContact CD2-CD1 3.93Å; F54-Y62 HydrophobicContact CE2-CD1 4.24Å; F54-Y62 HydrophobicContact CE2-CE1 4.48Å; N55-Y62 VanDerWaalsContact O-CA 3.29Å; N55-Y62 WeakPolarHBondContact O-CA 3.46Å; E56-Y62 HydrophobicContact CB-CD1 3.77Å; E56-Y62 HydrophobicContact CB-CE1 3.52Å; E56-Y62 HydrophobicContact CG-CD1 4.24Å; E56-Y62 HydrophobicContact CG-CE1 3.86Å; E56-Y62 HydrophobicContact CG-CE2 4.43Å; E56-Y62 VanDerWaalsContact OE2-CZ 3.3Å; E56-Y62 PolarHBondContact OE2-OH 3.25Å; Y62-K145 HydrophobicContact CE2-CB 4.1Å; Y62-K145 HydrophobicContact CE2-CD 3.88Å; Y62-K145 HydrophobicContact CE2-CG 4.22Å; Y62-K145 PolarHBondContact OH-NZ 2.83Å; Y62-V146 PolarHBondContact N-O 2.81Å; Y62-V148 PolarHBondContact O-N 2.94Å
63	I	98.9	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.8	162.9	-64.1	178	0	0	0	108.4	F54 N55 V57 V148 P158 V161 V180	F54-I63 CarbonylContact C-O 3.56Å; F54-I63 WeakPolarHBondContact CA-O 3.25Å; F54-I63 WeakPolarHBondContact CB-O 3.21Å; N55-I63 PolarHBondContact N-O 3.37Å; N55-I63 PolarHBondContact O-N 3.45Å; V57-I63 HydrophobicContact CB-CD1 4.45Å; V57-I63 HydrophobicContact CG1-CB 4.15Å; V57-I63 HydrophobicContact CG1-CD1 4.06Å; V57-I63 HydrophobicContact CG1-CG1 4.15Å; V57-I63 HydrophobicContact CG2-CD1 3.77Å; V57-I63 HydrophobicContact CG2-CG1 3.75Å; I63-V148 VanDerWaalsContact CA-O 3.3Å; I63-V148 WeakPolarHBondContact CA-O 3.39Å; I63-P158 HydrophobicContact CD1-CB 4.24Å; I63-P158 HydrophobicContact CD1-CG 4.07Å; I63-P158 HydrophobicContact CG2-CG 4.08Å; I63-V161 HydrophobicContact CD1-CB 3.89Å; I63-V161 HydrophobicContact CD1-CG1 4.22Å; I63-V161 HydrophobicContact CD1-CG2 3.78Å; I63-V161 HydrophobicContact CG1-CB 4.37Å; I63-V161 HydrophobicContact CG1-CG2 3.73Å; I63-V180 HydrophobicContact CD1-CG1 3.54Å
64	G	98.6	Very high	98.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	-167	169.2	0	0	0	0	0	114.6	H53 Y147 V148 H149 G153	H53-G64 CarbonylContact O-C 3.58Å; H53-G64 WeakPolarHBondContact O-CA 3.2Å; G64-Y147 WeakPolarHBondContact CA-OH 3.5Å; G64-V148 PolarHBondContact N-O 3.01Å; G64-H149 WeakPolarHBondContact O-CA 3.32Å; G64-H149 WeakPolarHBondContact O-CB 3.37Å; G64-G153 WeakPolarHBondContact O-CA 3.38Å; G64-G153 PolarHBondContact O-N 3.39Å
65	N	98.6	Very high	98.3	Very high	20 Å²	20	38.5 Å²	38.5	11%	0.107	18%	0.184	C	C	.	.			trans	-102.4	174.4	-171.9	76.3	11.7	0	0	0	113.1	H53 F67 V68 A69 Y147 R151	H53-N65 PolarHBondContact ND1-ND2 3.12Å; H53-N65 VanDerWaalsContact ND1-ND2 3.19Å; H53-N65 PolarHBondContact O-N 3.47Å; N65-F67 PolarHBondContact O-N 2.85Å; N65-F67 WeakPolarHBondContact OD1-CB 3.48Å; N65-F67 PolarHBondContact OD1-N 3.38Å; N65-F67 VanDerWaalsContact OD1-N 3.15Å; N65-V68 PolarHBondContact O-N 3.26Å; N65-A69 PolarHBondContact O-N 2.94Å; N65-Y147 PolarHBondContact N-OH 2.9Å; N65-Y147 PolarHBondContact O-OH 2.85Å; N65-R151 WeakPolarHBondContact CA-O 3.38Å; N65-R151 WeakPolarHBondContact CB-O 3.31Å
66	A	98.4	Very high	98.2	Very high	9 Å²	9	41.6 Å²	41.6	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-26.9	-177.8	0	0	0	0	0	113.6	V68 A69 H70 V95 C150 R151	A66-V68 VanDerWaalsContact C-N 3.31Å; A66-V68 PolarHBondContact O-N 3.36Å; A66-A69 PolarHBondContact O-N 3.48Å; A66-H70 PolarHBondContact O-N 2.89Å; A66-H70 PolarHBondContact O-ND1 2.83Å; A66-V95 HydrophobicContact CB-CB 4.49Å; A66-V95 HydrophobicContact CB-CG1 3.87Å; A66-V95 HydrophobicContact CB-CG2 3.73Å; A66-C150 PolarHBondContact N-O 3.23Å; A66-R151 WeakPolarHBondContact CB-O 3.46Å; A66-R151 PolarHBondContact N-O 3.46Å
67	F	98.1	Very high	98.2	Very high	118 Å²	118	46.9 Å²	46.9	52%	0.518	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-39.3	-178.3	174.2	-109.1	0	0	0	111.9	H53 N65 R74	H53-F67 AromaticContact CD2-CD1 3.89Å; H53-F67 AromaticContact CE1-CD1 3.57Å; H53-F67 AromaticContact CG-CD1 3.9Å; H53-F67 AromaticContact ND1-CD1 3.71Å; H53-F67 AromaticContact NE2-CD1 3.66Å; H53-F67 AromaticContact NE2-CE1 3.69Å; N65-F67 PolarHBondContact O-N 2.85Å; N65-F67 WeakPolarHBondContact OD1-CB 3.48Å; N65-F67 PolarHBondContact OD1-N 3.38Å; N65-F67 VanDerWaalsContact OD1-N 3.15Å; F67-R74 VanDerWaalsContact CE1-NH1 3.27Å
68	V	98.1	Very high	98.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-78.7	-36	176.9	177.6	0	0	0	0	110.9	H53 F54 N65 A66 H70 N71 R74 L75 Y147	H53-V68 HydrophobicContact CB-CG2 3.64Å; F54-V68 HydrophobicContact CD1-CG1 4.49Å; F54-V68 HydrophobicContact CD1-CG2 3.88Å; N65-V68 PolarHBondContact O-N 3.26Å; A66-V68 VanDerWaalsContact C-N 3.31Å; A66-V68 PolarHBondContact O-N 3.36Å; V68-H70 VanDerWaalsContact C-N 3.32Å; V68-H70 PolarHBondContact O-N 2.99Å; V68-N71 PolarHBondContact O-N 3.46Å; V68-R74 HydrophobicContact CG1-CG 4.43Å; V68-L75 HydrophobicContact CG1-CD2 3.85Å; V68-L75 HydrophobicContact CG1-CG 4.25Å; V68-Y147 HydrophobicContact CB-CE1 4.49Å; V68-Y147 HydrophobicContact CB-CE2 4.44Å; V68-Y147 WeakPolarHBondContact CB-OH 3.26Å; V68-Y147 HydrophobicContact CG1-CE1 4.4Å; V68-Y147 HydrophobicContact CG1-CE2 3.99Å
69	A	97.8	Very high	98.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-41.6	177.5	0	0	0	0	0	112.2	N65 A66 N71 T97 Y102 Y147 H149	N65-A69 PolarHBondContact O-N 2.94Å; A66-A69 PolarHBondContact O-N 3.48Å; A69-N71 PolarHBondContact O-N 3.36Å; A69-T97 HydrophobicContact CB-CG2 4.44Å; A69-Y102 PolarHBondContact O-OH 3.22Å; A69-Y147 HydrophobicContact CB-CE1 4.23Å; A69-H149 VanDerWaalsContact CB-CE1 3.43Å; A69-H149 WeakPolarHBondContact CB-CE1 3.37Å; A69-H149 WeakPolarHBondContact CB-NE2 3.42Å
70	H	97.7	Very high	98.1	Very high	89 Å²	89	47.3 Å²	47.3	41%	0.412	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	4.6	176.4	-70.9	97.6	0	0	0	114.4	A66 V68 P72 V95	A66-H70 PolarHBondContact O-N 2.89Å; A66-H70 PolarHBondContact O-ND1 2.83Å; V68-H70 VanDerWaalsContact C-N 3.32Å; V68-H70 PolarHBondContact O-N 2.99Å; H70-P72 WeakPolarHBondContact O-CD 3.28Å; H70-V95 WeakPolarHBondContact CE1-CG1 3.43Å
71	N	97.7	Very high	98.1	Very high	56 Å²	56	44.5 Å²	44.5	30%	0.299	22%	0.219	S	C	.	.			trans	-125.3	82.9	-178.6	-167.8	-29.8	0	0	0	111.3	V68 A69 M73 R74 L75	V68-N71 PolarHBondContact O-N 3.46Å; A69-N71 PolarHBondContact O-N 3.36Å; N71-M73 VanDerWaalsContact C-N 3.26Å; N71-M73 PolarHBondContact O-N 3.13Å; N71-M73 PolarHBondContact OD1-N 2.73Å; N71-R74 HydrophobicContact CB-CB 3.94Å; N71-R74 WeakPolarHBondContact O-CB 3.49Å; N71-R74 PolarHBondContact O-N 2.87Å; N71-R74 PolarHBondContact OD1-N 2.99Å; N71-L75 PolarHBondContact O-N 3.45Å; N71-L75 VanDerWaalsContact O-N 3.1Å
72	P	96.8	Very high	98.1	Very high	25 Å²	25	45 Å²	45	16%	0.162	22%	0.221	C	C	.	.	H	α-helix	trans	-57.1	-35.6	179.2	-26	34.2	0	0	0	113.7	H70 R74 L75 Q76 M101 Y102 T105	H70-P72 WeakPolarHBondContact O-CD 3.28Å; P72-R74 VanDerWaalsContact C-N 3.32Å; P72-R74 PolarHBondContact O-N 3.41Å; P72-L75 PolarHBondContact O-N 3.05Å; P72-Q76 WeakPolarHBondContact O-CG 3.37Å; P72-Q76 PolarHBondContact O-N 2.71Å; P72-M101 HydrophobicContact CG-CG 4.2Å; P72-Y102 HydrophobicContact CB-CD1 4.21Å; P72-Y102 HydrophobicContact CB-CE1 4.41Å; P72-Y102 HydrophobicContact CG-CD1 4.09Å; P72-Y102 HydrophobicContact CG-CE1 4.09Å; P72-T105 HydrophobicContact CB-CG2 3.89Å
73	M	97.2	Very high	98.1	Very high	144 Å²	144	44.2 Å²	44.2	71%	0.709	22%	0.218	S	C	*	.	H	α-helix	trans	-61	-41.2	175.4	-71.2	-173.4	-68.4	0	0	111.9	N71 Q76 K77	N71-M73 VanDerWaalsContact C-N 3.26Å; N71-M73 PolarHBondContact O-N 3.13Å; N71-M73 PolarHBondContact OD1-N 2.73Å; M73-Q76 PolarHBondContact O-N 3.12Å; M73-K77 PolarHBondContact O-N 3.43Å
74	R	97.7	Very high	98.1	Very high	83 Å²	83	44.2 Å²	44.2	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-63.9	-46.9	175.5	-171.9	172.3	-176.9	164	3.7	110.1	F67 V68 N71 P72 Q76 K77 L78	F67-R74 VanDerWaalsContact CE1-NH1 3.27Å; V68-R74 HydrophobicContact CG1-CG 4.43Å; N71-R74 HydrophobicContact CB-CB 3.94Å; N71-R74 WeakPolarHBondContact O-CB 3.49Å; N71-R74 PolarHBondContact O-N 2.87Å; N71-R74 PolarHBondContact OD1-N 2.99Å; P72-R74 VanDerWaalsContact C-N 3.32Å; P72-R74 PolarHBondContact O-N 3.41Å; R74-Q76 PolarHBondContact O-N 3.32Å; R74-K77 WeakPolarHBondContact O-CB 3.49Å; R74-K77 PolarHBondContact O-N 3.48Å; R74-K77 VanDerWaalsContact O-N 3.13Å; R74-L78 HydrophobicContact CG-CD1 3.83Å; R74-L78 WeakPolarHBondContact O-CD1 3.33Å; R74-L78 PolarHBondContact O-N 2.84Å
75	L	98.5	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-43.7	177.2	-71.1	166.3	0	0	0	112.4	V68 N71 P72 K77 L78 G79 V80 V83 Y102 I107 Y147	V68-L75 HydrophobicContact CG1-CD2 3.85Å; V68-L75 HydrophobicContact CG1-CG 4.25Å; N71-L75 PolarHBondContact O-N 3.45Å; N71-L75 VanDerWaalsContact O-N 3.1Å; P72-L75 PolarHBondContact O-N 3.05Å; L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 2.89Å; L75-L78 WeakPolarHBondContact O-CB 3.47Å; L75-L78 PolarHBondContact O-N 3.18Å; L75-L78 VanDerWaalsContact O-N 3.16Å; L75-G79 PolarHBondContact O-N 3.2Å; L75-V80 HydrophobicContact CB-CB 4.14Å; L75-V80 HydrophobicContact CD2-CB 4.17Å; L75-V80 HydrophobicContact CD2-CG1 4.2Å; L75-V80 HydrophobicContact CD2-CG2 3.93Å; L75-V80 WeakPolarHBondContact O-CB 3.43Å; L75-V80 PolarHBondContact O-N 2.97Å; L75-V83 HydrophobicContact CD1-CG2 3.88Å; L75-Y102 HydrophobicContact CD1-CE1 3.64Å; L75-I107 HydrophobicContact CB-CD1 3.74Å; L75-I107 HydrophobicContact CD1-CD1 4.43Å; L75-Y147 HydrophobicContact CD2-CD1 3.77Å; L75-Y147 HydrophobicContact CD2-CD2 3.94Å; L75-Y147 HydrophobicContact CD2-CE1 4.23Å; L75-Y147 HydrophobicContact CD2-CE2 4.42Å; L75-Y147 HydrophobicContact CD2-CG 3.62Å
76	Q	97.9	Very high	98.1	Very high	89 Å²	89	43.3 Å²	43.3	42%	0.416	21%	0.213	S	C	.	.	H	α-helix	trans	-61.1	-41.4	174.2	-73.3	178.6	-49.5	0	0	112.1	P72 M73 R74 L78 G79 T105 I107	P72-Q76 WeakPolarHBondContact O-CG 3.37Å; P72-Q76 PolarHBondContact O-N 2.71Å; M73-Q76 PolarHBondContact O-N 3.12Å; R74-Q76 PolarHBondContact O-N 3.32Å; Q76-L78 VanDerWaalsContact C-N 3.27Å; Q76-L78 PolarHBondContact O-N 3.49Å; Q76-G79 WeakPolarHBondContact O-CA 3.46Å; Q76-G79 PolarHBondContact O-N 3.37Å; Q76-T105 VanDerWaalsContact NE2-CA 3.33Å; Q76-T105 PolarHBondContact NE2-O 3.4Å; Q76-I107 HydrophobicContact CG-CD1 4.12Å
77	K	97.8	Very high	98.2	Very high	194 Å²	194	42.9 Å²	42.9	84%	0.843	21%	0.209	S	C	*	.	H	α-helix	trans	-63.7	-31.2	175.9	-172.1	176	179.8	178.2	0	112.7	M73 R74 L75 G79	M73-K77 PolarHBondContact O-N 3.43Å; R74-K77 WeakPolarHBondContact O-CB 3.49Å; R74-K77 PolarHBondContact O-N 3.48Å; R74-K77 VanDerWaalsContact O-N 3.13Å; L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 2.89Å; K77-G79 PolarHBondContact O-N 3.29Å
78	L	97.2	Very high	98.2	Very high	33 Å²	33	39.9 Å²	39.9	17%	0.173	20%	0.197	C	C	.	.	H	α-helix	trans	-72.9	-13.9	170.5	-82.9	82	0	0	0	113	F54 R74 L75 Q76 V80 K145	F54-L78 HydrophobicContact CD2-CD2 3.82Å; F54-L78 HydrophobicContact CE1-CD1 4.46Å; F54-L78 HydrophobicContact CE1-CD2 4.08Å; F54-L78 HydrophobicContact CE2-CD2 3.32Å; F54-L78 HydrophobicContact CE2-CG 4.28Å; F54-L78 HydrophobicContact CG-CD2 4.42Å; F54-L78 HydrophobicContact CZ-CD1 4.17Å; F54-L78 HydrophobicContact CZ-CD2 3.46Å; F54-L78 VanDerWaalsContact CZ-CD2 3.46Å; F54-L78 HydrophobicContact CZ-CG 4.08Å; R74-L78 HydrophobicContact CG-CD1 3.83Å; R74-L78 WeakPolarHBondContact O-CD1 3.33Å; R74-L78 PolarHBondContact O-N 2.84Å; L75-L78 WeakPolarHBondContact O-CB 3.47Å; L75-L78 PolarHBondContact O-N 3.18Å; L75-L78 VanDerWaalsContact O-N 3.16Å; Q76-L78 VanDerWaalsContact C-N 3.27Å; Q76-L78 PolarHBondContact O-N 3.49Å; L78-V80 VanDerWaalsContact C-N 3.34Å; L78-V80 HydrophobicContact CB-CG2 3.98Å; L78-K145 PolarHBondContact O-NZ 2.96Å
79	G	98.2	Very high	98.2	Very high	35 Å²	35	41 Å²	41	36%	0.361	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	22.2	-171.8	0	0	0	0	0	113.2	L75 Q76 K77 T81	L75-G79 PolarHBondContact O-N 3.2Å; Q76-G79 WeakPolarHBondContact O-CA 3.46Å; Q76-G79 PolarHBondContact O-N 3.37Å; K77-G79 PolarHBondContact O-N 3.29Å; G79-T81 PolarHBondContact O-N 3.41Å
80	V	98.7	Very high	98.1	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.042	25%	0.245	C	C	.	.			trans	-63.7	134.2	175.2	172.2	0	0	0	0	109	L75 L78 H82 V83	L75-V80 HydrophobicContact CB-CB 4.14Å; L75-V80 HydrophobicContact CD2-CB 4.17Å; L75-V80 HydrophobicContact CD2-CG1 4.2Å; L75-V80 HydrophobicContact CD2-CG2 3.93Å; L75-V80 WeakPolarHBondContact O-CB 3.43Å; L75-V80 PolarHBondContact O-N 2.97Å; L78-V80 VanDerWaalsContact C-N 3.34Å; L78-V80 HydrophobicContact CB-CG2 3.98Å; V80-H82 VanDerWaalsContact CG1-O 3.25Å; V80-H82 WeakPolarHBondContact CG1-O 3.26Å; V80-V83 HydrophobicContact CG1-CG2 3.99Å
81	T	98.8	Very high	98	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.098	25%	0.246	C	C	.	.			trans	-113.6	-21.1	178.7	57.1	0	0	0	0	112.6	G79 I107 T108 G144 K145	G79-T81 PolarHBondContact O-N 3.41Å; T81-I107 CarbonylContact O-C 3.5Å; T81-I107 WeakPolarHBondContact O-CA 3.26Å; T81-T108 PolarHBondContact O-N 3.24Å; T81-G144 WeakPolarHBondContact OG1-CA 3.45Å; T81-K145 PolarHBondContact N-O 2.86Å; T81-K145 PolarHBondContact OG1-N 2.93Å; T81-K145 PolarHBondContact OG1-O 3.23Å
82	H	98.9	Very high	97.7	Very high	11 Å²	11	50.6 Å²	50.6	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.7	-175.2	-73.1	69.4	0	0	0	109.5	V80 T108 F132 G136 H139 K145 V146 Y147	V80-H82 VanDerWaalsContact CG1-O 3.25Å; V80-H82 WeakPolarHBondContact CG1-O 3.26Å; H82-T108 CarbonylContact C-O 3.51Å; H82-T108 VanDerWaalsContact CA-O 3.26Å; H82-T108 WeakPolarHBondContact CA-O 3.42Å; H82-F132 HydrophobicContact CB-CE1 3.9Å; H82-F132 HydrophobicContact CB-CZ 3.93Å; H82-F132 AromaticContact CD2-CZ 3.82Å; H82-G136 VanDerWaalsContact CD2-CA 3.48Å; H82-G136 WeakPolarHBondContact CD2-CA 3.29Å; H82-G136 WeakPolarHBondContact ND1-CA 3.23Å; H82-H139 AromaticContact CE1-CD2 3.93Å; H82-H139 AromaticContact CE1-CG 3.54Å; H82-H139 AromaticContact CE1-ND1 3.86Å; H82-K145 PolarHBondContact N-O 3.17Å; H82-K145 VanDerWaalsContact N-O 3.08Å; H82-V146 HydrophobicContact CB-CB 4.42Å; H82-V146 HydrophobicContact CB-CG1 4.14Å; H82-V146 HydrophobicContact CB-CG2 4.14Å; H82-V146 CarbonylContact O-C 3.31Å; H82-V146 WeakPolarHBondContact O-CA 3.34Å; H82-Y147 PolarHBondContact O-N 2.99Å
83	V	98.9	Very high	97.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.7	175.7	172.4	0	0	0	0	109	L75 V80 Y102 I107 T108 Y109 H110 F132 Y147	L75-V83 HydrophobicContact CD1-CG2 3.88Å; V80-V83 HydrophobicContact CG1-CG2 3.99Å; V83-Y102 HydrophobicContact CG1-CE2 4.41Å; V83-Y102 HydrophobicContact CG2-CE1 4.11Å; V83-I107 HydrophobicContact CB-CG2 4.1Å; V83-I107 HydrophobicContact CG2-CG2 3.53Å; V83-T108 PolarHBondContact N-O 3.25Å; V83-Y109 HydrophobicContact CB-CD2 4.2Å; V83-Y109 HydrophobicContact CG1-CD2 3.95Å; V83-Y109 HydrophobicContact CG1-CE2 4.23Å; V83-Y109 WeakPolarHBondContact O-CA 3.42Å; V83-H110 PolarHBondContact O-N 2.92Å; V83-F132 WeakPolarHBondContact O-CZ 3.3Å; V83-Y147 WeakPolarHBondContact CA-O 3.48Å
84	L	98.9	Very high	97.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	108.9	172.6	-180	57.7	0	0	0	109.2	V86 H110 I112 F132 I133 Y147 V148 H149 M160	L84-V86 HydrophobicContact CD2-CG2 4.31Å; L84-V86 HydrophobicContact CG-CG2 3.98Å; L84-H110 WeakPolarHBondContact CA-O 3.42Å; L84-H110 HydrophobicContact CD1-CB 4.12Å; L84-I112 HydrophobicContact CD1-CD1 3.97Å; L84-I112 HydrophobicContact CD1-CG1 4.37Å; L84-F132 HydrophobicContact CB-CD1 3.77Å; L84-F132 HydrophobicContact CB-CE1 3.77Å; L84-F132 HydrophobicContact CD1-CD1 4.12Å; L84-F132 HydrophobicContact CD1-CG 4.47Å; L84-F132 HydrophobicContact CD2-CD1 4.3Å; L84-F132 HydrophobicContact CG-CD1 4.28Å; L84-I133 HydrophobicContact CD2-CD1 4.27Å; L84-I133 HydrophobicContact CD2-CG1 4.18Å; L84-Y147 PolarHBondContact N-O 2.83Å; L84-V148 HydrophobicContact CB-CB 4.49Å; L84-V148 HydrophobicContact CB-CG1 4.26Å; L84-V148 HydrophobicContact CB-CG2 4.24Å; L84-V148 HydrophobicContact CD2-CG1 4Å; L84-V148 HydrophobicContact CD2-CG2 4.34Å; L84-V148 HydrophobicContact CG-CG1 4.22Å; L84-V148 WeakPolarHBondContact O-CA 3.49Å; L84-H149 PolarHBondContact O-N 2.92Å; L84-M160 HydrophobicContact CD2-CG 3.95Å
85	N	98.9	Very high	97.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	100.4	176.2	-178.7	7.4	0	0	0	110.3	A87 E88 V95 T97 Y109 H110 I112 H149	N85-A87 PolarHBondContact O-N 3.31Å; N85-A87 VanDerWaalsContact OD1-C 3.22Å; N85-A87 WeakPolarHBondContact OD1-CA 3.4Å; N85-A87 PolarHBondContact OD1-N 3.46Å; N85-E88 VanDerWaalsContact ND2-CA 3.32Å; N85-E88 WeakPolarHBondContact ND2-CA 3.45Å; N85-E88 PolarHBondContact OD1-N 3.33Å; N85-V95 PolarHBondContact ND2-O 2.86Å; N85-T97 PolarHBondContact ND2-OG1 3.45Å; N85-Y109 HydrophobicContact CB-CE2 3.74Å; N85-Y109 WeakPolarHBondContact CB-OH 3.46Å; N85-Y109 PolarHBondContact ND2-OH 3.43Å; N85-H110 PolarHBondContact N-O 2.97Å; N85-I112 PolarHBondContact O-N 3.04Å; N85-H149 VanDerWaalsContact CB-NE2 3.33Å; N85-H149 WeakPolarHBondContact CB-NE2 3.29Å; N85-H149 PolarHBondContact OD1-CE1 2.89Å
86	V	98.9	Very high	97.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	31	176.7	-157.1	0	0	0	0	111.4	L84 I112 A114 L122 V148 H149 R156 M160	L84-V86 HydrophobicContact CD2-CG2 4.31Å; L84-V86 HydrophobicContact CG-CG2 3.98Å; V86-I112 CarbonylContact C-O 3.44Å; V86-A114 HydrophobicContact CG1-CB 4.31Å; V86-L122 HydrophobicContact CG1-CD1 3.88Å; V86-L122 HydrophobicContact CG1-CD2 4.47Å; V86-V148 HydrophobicContact CG2-CG1 3.72Å; V86-H149 PolarHBondContact N-O 2.88Å; V86-R156 HydrophobicContact CB-CB 4.35Å; V86-R156 HydrophobicContact CG1-CB 4.11Å; V86-R156 WeakPolarHBondContact O-CB 3.37Å; V86-R156 WeakPolarHBondContact O-CD 3.49Å; V86-M160 HydrophobicContact CG1-CB 4.42Å; V86-M160 HydrophobicContact CG1-CE 4.35Å; V86-M160 HydrophobicContact CG2-CB 4.07Å; V86-M160 HydrophobicContact CG2-CG 4.24Å
87	A	98.8	Very high	97.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-157.6	34.3	179.2	0	0	0	0	0	110.8	N85 G89 H94 V95 I112 C150	N85-A87 PolarHBondContact O-N 3.31Å; N85-A87 VanDerWaalsContact OD1-C 3.22Å; N85-A87 WeakPolarHBondContact OD1-CA 3.4Å; N85-A87 PolarHBondContact OD1-N 3.46Å; A87-G89 PolarHBondContact O-N 3.31Å; A87-H94 CarbonylContact O-C 3.47Å; A87-H94 VanDerWaalsContact O-CA 3.26Å; A87-H94 WeakPolarHBondContact O-CA 3.37Å; A87-H94 VanDerWaalsContact O-CB 3.24Å; A87-H94 WeakPolarHBondContact O-CB 3.4Å; A87-H94 PolarHBondContact O-CD2 2.86Å; A87-V95 HydrophobicContact CB-CG2 4.07Å; A87-V95 PolarHBondContact O-N 2.77Å; A87-I112 PolarHBondContact N-O 2.87Å; A87-C150 HydrophobicContact CB-CB 3.77Å
88	E	98.6	Very high	97.5	Very high	55 Å²	55	36.8 Å²	36.8	26%	0.257	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-64.1	133.6	-177.7	-176.1	170.8	69	0	0	111.9	N85 H94 Y109 I112 P113	N85-E88 VanDerWaalsContact ND2-CA 3.32Å; N85-E88 WeakPolarHBondContact ND2-CA 3.45Å; N85-E88 PolarHBondContact OD1-N 3.33Å; E88-H94 PolarHBondContact O-CD2 3.48Å; E88-Y109 WeakPolarHBondContact OE2-CE1 3.48Å; E88-Y109 VanDerWaalsContact OE2-CZ 3.27Å; E88-Y109 PolarHBondContact OE2-OH 3.39Å; E88-I112 PolarHBondContact N-O 3.45Å; E88-P113 VanDerWaalsContact O-CA 3.3Å; E88-P113 WeakPolarHBondContact O-CA 3.43Å
89	G	97.7	Very high	97.5	Very high	23 Å²	23	38.7 Å²	38.7	24%	0.237	23%	0.226	C	C	.	.	S	Bend	trans	149.2	179.9	177.5	0	0	0	0	0	112.7	A87 H94 V95 N96	A87-G89 PolarHBondContact O-N 3.31Å; G89-H94 VanDerWaalsContact C-CB 3.42Å; G89-H94 WeakPolarHBondContact O-CB 3.31Å; G89-V95 PolarHBondContact N-O 3.15Å; G89-V95 CarbonylContact O-C 3.27Å; G89-V95 VanDerWaalsContact O-C 3.27Å; G89-N96 WeakPolarHBondContact O-CA 3.32Å; G89-N96 PolarHBondContact O-N 3.13Å
90	T	96.7	Very high	97.4	Very high	124 Å²	124	43.6 Å²	43.6	76%	0.761	24%	0.239	S	C	*	.	S	Bend	trans	-107.4	-6	-170.1	55.2	0	0	0	0	114.3
91	S	96.1	Very high	97.3	Very high	62 Å²	62	46.4 Å²	46.4	43%	0.434	25%	0.253	S	S	.	.	S	Bend	trans	-75.8	165.6	179	94.2	0	0	0	0	112.4	M93 H94	S91-M93 PolarHBondContact O-N 3.49Å; S91-M93 VanDerWaalsContact O-N 3.1Å; S91-H94 PolarHBondContact O-N 2.85Å; S91-H94 PolarHBondContact OG-ND1 3.29Å
92	F	91.4	Very high	97.2	Very high	161 Å²	161	45.9 Å²	45.9	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.9	-178.3	179.8	-99.1	0	0	0	114	R151	F92-R151 PolarHBondContact O-NH1 3.33Å; F92-R151 PolarHBondContact O-NH2 3.18Å
93	M	94.8	Very high	97	Very high	88 Å²	88	48.8 Å²	48.8	43%	0.433	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	2.1	179.7	-66.3	-56.6	-69.3	0	0	114	S91 R156	S91-M93 PolarHBondContact O-N 3.49Å; S91-M93 VanDerWaalsContact O-N 3.1Å; M93-R156 PolarHBondContact O-NH1 3.23Å; M93-R156 PolarHBondContact O-NH2 3.41Å
94	H	98.4	Very high	96.9	Very high	19 Å²	19	53 Å²	53	9%	0.088	32%	0.319	C	S	.	.	S	Bend	trans	-102.8	176.7	173.8	-69.4	91	0	0	0	111.4	A87 E88 G89 S91 A114 N115 R151	A87-H94 CarbonylContact O-C 3.47Å; A87-H94 VanDerWaalsContact O-CA 3.26Å; A87-H94 WeakPolarHBondContact O-CA 3.37Å; A87-H94 VanDerWaalsContact O-CB 3.24Å; A87-H94 WeakPolarHBondContact O-CB 3.4Å; A87-H94 PolarHBondContact O-CD2 2.86Å; E88-H94 PolarHBondContact O-CD2 3.48Å; G89-H94 VanDerWaalsContact C-CB 3.42Å; G89-H94 WeakPolarHBondContact O-CB 3.31Å; S91-H94 PolarHBondContact O-N 2.85Å; S91-H94 PolarHBondContact OG-ND1 3.29Å; H94-A114 PolarHBondContact NE2-O 3.5Å; H94-N115 PolarHBondContact CE1-OD1 3.48Å; H94-N115 PolarHBondContact NE2-OD1 3.46Å; H94-R151 PolarHBondContact O-NH1 3.09Å
95	V	98.2	Very high	96.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-127.4	114.4	179.6	-168.3	0	0	0	0	107.7	A66 H70 N85 A87 G89 T97 R151	A66-V95 HydrophobicContact CB-CB 4.49Å; A66-V95 HydrophobicContact CB-CG1 3.87Å; A66-V95 HydrophobicContact CB-CG2 3.73Å; H70-V95 WeakPolarHBondContact CE1-CG1 3.43Å; N85-V95 PolarHBondContact ND2-O 2.86Å; A87-V95 HydrophobicContact CB-CG2 4.07Å; A87-V95 PolarHBondContact O-N 2.77Å; G89-V95 PolarHBondContact N-O 3.15Å; G89-V95 CarbonylContact O-C 3.27Å; G89-V95 VanDerWaalsContact O-C 3.27Å; V95-T97 VanDerWaalsContact C-N 3.27Å; V95-T97 HydrophobicContact CG1-CG2 3.96Å; V95-T97 PolarHBondContact O-N 2.99Å; V95-R151 HydrophobicContact CG2-CB 4.44Å
96	N	97.8	Very high	96.7	Very high	102 Å²	102	57.2 Å²	57.2	55%	0.545	36%	0.357	S	S	.	.			trans	-86	69.9	-178.2	-171.6	21.4	0	0	0	110.5	G89 M101	G89-N96 WeakPolarHBondContact O-CA 3.32Å; G89-N96 PolarHBondContact O-N 3.13Å; N96-M101 WeakPolarHBondContact O-CE 3.42Å
97	T	96.6	Very high	96.7	Very high	2 Å²	2	58 Å²	58	1%	0.012	36%	0.36	C	S	.	.			trans	-108.6	156.9	166	59.2	0	0	0	0	109.5	A69 N85 V95 M101 Y109	A69-T97 HydrophobicContact CB-CG2 4.44Å; N85-T97 PolarHBondContact ND2-OG1 3.45Å; V95-T97 VanDerWaalsContact C-N 3.27Å; V95-T97 HydrophobicContact CG1-CG2 3.96Å; V95-T97 PolarHBondContact O-N 2.99Å; T97-M101 HydrophobicContact CG2-CE 3.9Å; T97-M101 HydrophobicContact CG2-SD 3.44Å; T97-M101 WeakPolarHBondContact CG2-SD 3.46Å; T97-Y109 PolarHBondContact O-OH 3.32Å; T97-Y109 VanDerWaalsContact OG1-CE2 3.27Å; T97-Y109 WeakPolarHBondContact OG1-CE2 3.47Å; T97-Y109 PolarHBondContact OG1-OH 2.95Å; T97-Y109 VanDerWaalsContact OG1-OH 3.11Å
98	S	95.5	Very high	96.7	Very high	35 Å²	35	61 Å²	61	25%	0.245	38%	0.379	C	S	.	.			trans	-150.2	168.1	-178.1	74.8	0	0	0	0	110.7	E100 M101 Y102	S98-E100 WeakPolarHBondContact CB-OE2 3.16Å; S98-E100 PolarHBondContact O-N 3.35Å; S98-E100 PolarHBondContact OG-N 2.74Å; S98-E100 PolarHBondContact OG-OE2 3.02Å; S98-M101 WeakPolarHBondContact O-CB 3.46Å; S98-M101 PolarHBondContact O-N 3.22Å; S98-M101 VanDerWaalsContact O-N 3.12Å; S98-Y102 VanDerWaalsContact O-CD2 3.28Å; S98-Y102 WeakPolarHBondContact O-CD2 3.29Å
99	P	96.3	Very high	96.7	Very high	72 Å²	72	59.7 Å²	59.7	47%	0.468	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-51.9	-37.1	173.9	-25.7	33.9	0	0	0	113.6	M101 Y102 A103 Y109	P99-M101 VanDerWaalsContact C-N 3.31Å; P99-M101 PolarHBondContact O-N 2.91Å; P99-Y102 CarbonylContact O-C 3.5Å; P99-Y102 PolarHBondContact O-N 3.17Å; P99-Y102 VanDerWaalsContact O-N 3.09Å; P99-A103 PolarHBondContact O-N 2.84Å; P99-A103 VanDerWaalsContact O-N 3.13Å; P99-Y109 HydrophobicContact CG-CD1 3.83Å; P99-Y109 HydrophobicContact CG-CE1 4.45Å
100	E	96.6	Very high	96.7	Very high	139 Å²	139	61 Å²	61	65%	0.65	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-63.8	-35.4	-179	-60.7	70.9	-150.3	0	0	112.1	S98 Y102 A103	S98-E100 WeakPolarHBondContact CB-OE2 3.16Å; S98-E100 PolarHBondContact O-N 3.35Å; S98-E100 PolarHBondContact OG-N 2.74Å; S98-E100 PolarHBondContact OG-OE2 3.02Å; E100-Y102 PolarHBondContact O-N 2.92Å; E100-A103 WeakPolarHBondContact O-CB 3.38Å; E100-A103 PolarHBondContact O-N 2.91Å
101	M	96	Very high	96.8	Very high	66 Å²	66	55.7 Å²	55.7	33%	0.325	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-61.4	-30.2	175.8	-178.1	-179.3	-70.7	0	0	112.2	P72 N96 T97 S98 P99	P72-M101 HydrophobicContact CG-CG 4.2Å; N96-M101 WeakPolarHBondContact O-CE 3.42Å; T97-M101 HydrophobicContact CG2-CE 3.9Å; T97-M101 HydrophobicContact CG2-SD 3.44Å; T97-M101 WeakPolarHBondContact CG2-SD 3.46Å; S98-M101 WeakPolarHBondContact O-CB 3.46Å; S98-M101 PolarHBondContact O-N 3.22Å; S98-M101 VanDerWaalsContact O-N 3.12Å; P99-M101 VanDerWaalsContact C-N 3.31Å; P99-M101 PolarHBondContact O-N 2.91Å
102	Y	97.1	Very high	96.9	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.016	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-100.2	1.9	-178.9	-61.7	-75.4	0	0	0	113.1	A69 P72 L75 V83 S98 P99 E100 G104 T105 I107 Y109	A69-Y102 PolarHBondContact O-OH 3.22Å; P72-Y102 HydrophobicContact CB-CD1 4.21Å; P72-Y102 HydrophobicContact CB-CE1 4.41Å; P72-Y102 HydrophobicContact CG-CD1 4.09Å; P72-Y102 HydrophobicContact CG-CE1 4.09Å; L75-Y102 HydrophobicContact CD1-CE1 3.64Å; V83-Y102 HydrophobicContact CG1-CE2 4.41Å; V83-Y102 HydrophobicContact CG2-CE1 4.11Å; S98-Y102 VanDerWaalsContact O-CD2 3.28Å; S98-Y102 WeakPolarHBondContact O-CD2 3.29Å; P99-Y102 CarbonylContact O-C 3.5Å; P99-Y102 PolarHBondContact O-N 3.17Å; P99-Y102 VanDerWaalsContact O-N 3.09Å; E100-Y102 PolarHBondContact O-N 2.92Å; Y102-G104 PolarHBondContact O-N 2.99Å; Y102-T105 WeakPolarHBondContact O-CB 3.37Å; Y102-T105 WeakPolarHBondContact O-CG2 3.13Å; Y102-T105 PolarHBondContact O-N 3.49Å; Y102-T105 VanDerWaalsContact O-N 3.09Å; Y102-T105 PolarHBondContact O-OG1 3.29Å; Y102-I107 HydrophobicContact CD1-CB 4.1Å; Y102-I107 HydrophobicContact CD1-CD1 4.06Å; Y102-I107 HydrophobicContact CD1-CG2 3.89Å; Y102-I107 HydrophobicContact CE1-CD1 4.48Å; Y102-I107 HydrophobicContact CE1-CG2 4.42Å; Y102-I107 HydrophobicContact CG-CB 4.46Å; Y102-I107 HydrophobicContact CG-CG2 4.22Å; Y102-Y109 AromaticContact CD2-CD2 3.6Å; Y102-Y109 HydrophobicContact CD2-CD2 3.6Å; Y102-Y109 HydrophobicContact CD2-CE2 4.41Å; Y102-Y109 AromaticContact CD2-CG 3.91Å; Y102-Y109 HydrophobicContact CD2-CG 3.91Å; Y102-Y109 AromaticContact CE2-CD2 3.29Å; Y102-Y109 HydrophobicContact CE2-CD2 3.29Å; Y102-Y109 AromaticContact CE2-CE2 3.77Å; Y102-Y109 HydrophobicContact CE2-CE2 3.77Å; Y102-Y109 HydrophobicContact CE2-CG 4.08Å
103	A	95.7	Very high	97.3	Very high	72 Å²	72	48.6 Å²	48.6	60%	0.595	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	134.6	179.7	0	0	0	0	0	111.5	P99 E100 T105	P99-A103 PolarHBondContact O-N 2.84Å; P99-A103 VanDerWaalsContact O-N 3.13Å; E100-A103 WeakPolarHBondContact O-CB 3.38Å; E100-A103 PolarHBondContact O-N 2.91Å; A103-T105 PolarHBondContact O-N 2.96Å
104	G	96.1	Very high	97.4	Very high	90 Å²	90	44.4 Å²	44.4	93%	0.928	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-3.8	-179	0	0	0	0	0	115.4	Y102	Y102-G104 PolarHBondContact O-N 2.99Å
105	T	96.8	Very high	97.5	Very high	28 Å²	28	47 Å²	47	17%	0.172	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.9	-179.8	70.6	0	0	0	0	113.6	P72 Q76 Y102 A103 I107	P72-T105 HydrophobicContact CB-CG2 3.89Å; Q76-T105 VanDerWaalsContact NE2-CA 3.33Å; Q76-T105 PolarHBondContact NE2-O 3.4Å; Y102-T105 WeakPolarHBondContact O-CB 3.37Å; Y102-T105 WeakPolarHBondContact O-CG2 3.13Å; Y102-T105 PolarHBondContact O-N 3.49Å; Y102-T105 VanDerWaalsContact O-N 3.09Å; Y102-T105 PolarHBondContact O-OG1 3.29Å; A103-T105 PolarHBondContact O-N 2.96Å; T105-I107 WeakPolarHBondContact OG1-CB 3.38Å; T105-I107 WeakPolarHBondContact OG1-CG1 3.33Å; T105-I107 PolarHBondContact OG1-N 3.27Å
106	G	96.4	Very high	97.5	Very high	60 Å²	60	49.6 Å²	49.6	62%	0.619	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	5.2	-170.1	0	0	0	0	0	114
107	I	98.6	Very high	97.5	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.077	31%	0.314	C	S	.	.			trans	-88	125.7	175.3	-63.2	170.6	0	0	0	109.4	L75 Q76 T81 V83 Y102 T105	L75-I107 HydrophobicContact CB-CD1 3.74Å; L75-I107 HydrophobicContact CD1-CD1 4.43Å; Q76-I107 HydrophobicContact CG-CD1 4.12Å; T81-I107 CarbonylContact O-C 3.5Å; T81-I107 WeakPolarHBondContact O-CA 3.26Å; V83-I107 HydrophobicContact CB-CG2 4.1Å; V83-I107 HydrophobicContact CG2-CG2 3.53Å; Y102-I107 HydrophobicContact CD1-CB 4.1Å; Y102-I107 HydrophobicContact CD1-CD1 4.06Å; Y102-I107 HydrophobicContact CD1-CG2 3.89Å; Y102-I107 HydrophobicContact CE1-CD1 4.48Å; Y102-I107 HydrophobicContact CE1-CG2 4.42Å; Y102-I107 HydrophobicContact CG-CB 4.46Å; Y102-I107 HydrophobicContact CG-CG2 4.22Å; T105-I107 WeakPolarHBondContact OG1-CB 3.38Å; T105-I107 WeakPolarHBondContact OG1-CG1 3.33Å; T105-I107 PolarHBondContact OG1-N 3.27Å
108	T	98.6	Very high	97.5	Very high	65 Å²	65	54.3 Å²	54.3	40%	0.399	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133.2	169.6	-58.8	0	0	0	0	109.4	T81 H82 V83 F132	T81-T108 PolarHBondContact O-N 3.24Å; H82-T108 CarbonylContact C-O 3.51Å; H82-T108 VanDerWaalsContact CA-O 3.26Å; H82-T108 WeakPolarHBondContact CA-O 3.42Å; V83-T108 PolarHBondContact N-O 3.25Å; T108-F132 HydrophobicContact CG2-CE2 4.08Å; T108-F132 HydrophobicContact CG2-CZ 4.48Å
109	Y	98.8	Very high	97.6	Very high	27 Å²	27	56.3 Å²	56.3	11%	0.106	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.9	-176.6	176.2	-94.4	0	0	0	111.6	V83 N85 E88 T97 P99 Y102	V83-Y109 HydrophobicContact CB-CD2 4.2Å; V83-Y109 HydrophobicContact CG1-CD2 3.95Å; V83-Y109 HydrophobicContact CG1-CE2 4.23Å; V83-Y109 WeakPolarHBondContact O-CA 3.42Å; N85-Y109 HydrophobicContact CB-CE2 3.74Å; N85-Y109 WeakPolarHBondContact CB-OH 3.46Å; N85-Y109 PolarHBondContact ND2-OH 3.43Å; E88-Y109 WeakPolarHBondContact OE2-CE1 3.48Å; E88-Y109 VanDerWaalsContact OE2-CZ 3.27Å; E88-Y109 PolarHBondContact OE2-OH 3.39Å; T97-Y109 PolarHBondContact O-OH 3.32Å; T97-Y109 VanDerWaalsContact OG1-CE2 3.27Å; T97-Y109 WeakPolarHBondContact OG1-CE2 3.47Å; T97-Y109 PolarHBondContact OG1-OH 2.95Å; T97-Y109 VanDerWaalsContact OG1-OH 3.11Å; P99-Y109 HydrophobicContact CG-CD1 3.83Å; P99-Y109 HydrophobicContact CG-CE1 4.45Å; Y102-Y109 AromaticContact CD2-CD2 3.6Å; Y102-Y109 HydrophobicContact CD2-CD2 3.6Å; Y102-Y109 HydrophobicContact CD2-CE2 4.41Å; Y102-Y109 AromaticContact CD2-CG 3.91Å; Y102-Y109 HydrophobicContact CD2-CG 3.91Å; Y102-Y109 AromaticContact CE2-CD2 3.29Å; Y102-Y109 HydrophobicContact CE2-CD2 3.29Å; Y102-Y109 AromaticContact CE2-CE2 3.77Å; Y102-Y109 HydrophobicContact CE2-CE2 3.77Å; Y102-Y109 HydrophobicContact CE2-CG 4.08Å
110	H	98.8	Very high	97.8	Very high	50 Å²	50	54.5 Å²	54.5	23%	0.231	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	137.3	166.6	-171	68.8	0	0	0	110.7	V83 L84 N85 E128 F132	V83-H110 PolarHBondContact O-N 2.92Å; L84-H110 WeakPolarHBondContact CA-O 3.42Å; L84-H110 HydrophobicContact CD1-CB 4.12Å; N85-H110 PolarHBondContact N-O 2.97Å; H110-E128 IonicContact CD2-OE1 3.79Å; H110-E128 IonicContact CE1-OE1 3.43Å; H110-E128 PolarHBondContact CE1-OE1 2.86Å; H110-E128 IonicContact NE2-OE1 2.67Å; H110-E128 PolarHBondContact NE2-OE1 3Å; H110-F132 HydrophobicContact CB-CD1 4.33Å; H110-F132 HydrophobicContact CB-CD2 3.37Å; H110-F132 HydrophobicContact CB-CE1 4.24Å; H110-F132 HydrophobicContact CB-CE2 3.27Å; H110-F132 HydrophobicContact CB-CG 3.92Å; H110-F132 HydrophobicContact CB-CZ 3.73Å; H110-F132 AromaticContact CG-CD2 3.95Å
111	G	98.8	Very high	97.9	Very high	13 Å²	13	52 Å²	52	13%	0.134	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.2	-175.7	0	0	0	0	0	112.2
112	I	98.8	Very high	98	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	33%	0.327	C	S	.	.			trans	-121.1	119.5	172.4	-64.3	167.7	0	0	0	107.5	L84 N85 V86 A87 E88 A114 F125 M160	L84-I112 HydrophobicContact CD1-CD1 3.97Å; L84-I112 HydrophobicContact CD1-CG1 4.37Å; N85-I112 PolarHBondContact O-N 3.04Å; V86-I112 CarbonylContact C-O 3.44Å; A87-I112 PolarHBondContact N-O 2.87Å; E88-I112 PolarHBondContact N-O 3.45Å; I112-A114 HydrophobicContact CG2-CB 4.13Å; I112-A114 PolarHBondContact O-N 3.19Å; I112-F125 HydrophobicContact CD1-CB 4.07Å; I112-F125 HydrophobicContact CG1-CD1 4.34Å; I112-F125 HydrophobicContact CG2-CB 4.13Å; I112-F125 HydrophobicContact CG2-CD1 3.72Å; I112-F125 HydrophobicContact CG2-CD2 4.1Å; I112-F125 HydrophobicContact CG2-CE1 4.12Å; I112-F125 HydrophobicContact CG2-CE2 4.47Å; I112-F125 HydrophobicContact CG2-CG 3.71Å; I112-F125 HydrophobicContact CG2-CZ 4.47Å; I112-M160 HydrophobicContact CD1-CE 3.68Å
113	P	98.3	Very high	98.1	Very high	73 Å²	73	50.8 Å²	50.8	47%	0.474	34%	0.34	S	S	.	.			trans	-81.4	66.9	-176.6	33.3	-35.9	0	0	0	112	E88	E88-P113 VanDerWaalsContact O-CA 3.3Å; E88-P113 WeakPolarHBondContact O-CA 3.43Å
114	A	98.5	Very high	98.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	34%	0.339	C	S	.	.			trans	-94.2	128.2	-175.3	0	0	0	0	0	114.3	V86 H94 I112 F120 L122 R156	V86-A114 HydrophobicContact CG1-CB 4.31Å; H94-A114 PolarHBondContact NE2-O 3.5Å; I112-A114 HydrophobicContact CG2-CB 4.13Å; I112-A114 PolarHBondContact O-N 3.19Å; A114-F120 HydrophobicContact CB-CD1 4.09Å; A114-F120 HydrophobicContact CB-CE1 3.5Å; A114-F120 HydrophobicContact CB-CZ 3.87Å; A114-L122 HydrophobicContact CB-CD1 3.83Å; A114-R156 WeakPolarHBondContact O-CD 3.45Å; A114-R156 PolarHBondContact O-NH1 2.78Å
115	N	98.4	Very high	98.3	Very high	75 Å²	75	48.5 Å²	48.5	40%	0.401	30%	0.304	S	S	.	.			trans	-81.8	141.1	169.2	-73	-51.4	0	0	0	111.2	H94 T117 F120 F192	H94-N115 PolarHBondContact CE1-OD1 3.48Å; H94-N115 PolarHBondContact NE2-OD1 3.46Å; N115-T117 VanDerWaalsContact C-N 3.29Å; N115-T117 HydrophobicContact CB-CG2 4.39Å; N115-T117 PolarHBondContact O-N 3.44Å; N115-T117 VanDerWaalsContact O-N 3.1Å; N115-F120 HydrophobicContact CB-CB 4.22Å; N115-F120 HydrophobicContact CB-CD2 3.87Å; N115-F120 HydrophobicContact CB-CG 4.18Å; N115-F120 WeakPolarHBondContact O-CB 3.4Å; N115-F192 WeakPolarHBondContact O-CZ 3.41Å
116	D	98.4	Very high	98.4	Very high	53 Å²	53	47.5 Å²	47.5	28%	0.283	30%	0.297	S	S	.	.			trans	-87.7	64.6	176.7	-155.1	-10.7	0	0	0	111.8	S155 R156 N189	D116-S155 VanDerWaalsContact OD1-CB 3.29Å; D116-S155 WeakPolarHBondContact OD1-CB 3.38Å; D116-S155 PolarHBondContact OD1-OG 3.36Å; D116-S155 VanDerWaalsContact OD2-CB 3.24Å; D116-S155 WeakPolarHBondContact OD2-CB 3.3Å; D116-S155 PolarHBondContact OD2-OG 3.41Å; D116-R156 HydrophobicContact CB-CG 4.18Å; D116-R156 IonicContact OD2-NE 3.63Å; D116-N189 PolarHBondContact OD1-ND2 3Å
117	T	98.5	Very high	98.6	Very high	75 Å²	75	49 Å²	49	46%	0.46	29%	0.288	S	S	.	.	S	Bend	trans	-132.8	152.6	-179.3	70.1	0	0	0	0	110.3	N115 G119 F120	N115-T117 VanDerWaalsContact C-N 3.29Å; N115-T117 HydrophobicContact CB-CG2 4.39Å; N115-T117 PolarHBondContact O-N 3.44Å; N115-T117 VanDerWaalsContact O-N 3.1Å; T117-G119 PolarHBondContact O-N 2.95Å; T117-G119 VanDerWaalsContact O-N 3.11Å; T117-F120 PolarHBondContact O-N 2.84Å; T117-F120 VanDerWaalsContact O-N 3.11Å; T117-F120 PolarHBondContact OG1-N 3.42Å
118	K	97.6	Very high	98.6	Very high	129 Å²	129	51.7 Å²	51.7	56%	0.561	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.3	178.4	-60.7	-175.9	176.1	-167.4	0	113.2	N189 D190	K118-N189 WeakPolarHBondContact CA-OD1 3.46Å; K118-N189 HydrophobicContact CG-CB 4.41Å; K118-D190 HydrophobicContact CD-CB 4.25Å; K118-D190 WeakPolarHBondContact CE-OD2 3.33Å; K118-D190 IonicContact NZ-OD2 2.65Å; K118-D190 PolarHBondContact NZ-OD2 3.01Å
119	G	97.5	Very high	98.6	Very high	76 Å²	76	48.6 Å²	48.6	78%	0.784	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.4	-179.5	0	0	0	0	0	115	T117	T117-G119 PolarHBondContact O-N 2.95Å; T117-G119 VanDerWaalsContact O-N 3.11Å
120	F	98.6	Very high	98.6	Very high	35 Å²	35	47.3 Å²	47.3	15%	0.154	28%	0.277	C	S	.	.			trans	-77.8	127.7	177.6	-172.5	-91.8	0	0	0	110.4	A114 N115 T117 L122 F125 F192 Q195	A114-F120 HydrophobicContact CB-CD1 4.09Å; A114-F120 HydrophobicContact CB-CE1 3.5Å; A114-F120 HydrophobicContact CB-CZ 3.87Å; N115-F120 HydrophobicContact CB-CB 4.22Å; N115-F120 HydrophobicContact CB-CD2 3.87Å; N115-F120 HydrophobicContact CB-CG 4.18Å; N115-F120 WeakPolarHBondContact O-CB 3.4Å; T117-F120 PolarHBondContact O-N 2.84Å; T117-F120 VanDerWaalsContact O-N 3.11Å; T117-F120 PolarHBondContact OG1-N 3.42Å; F120-L122 HydrophobicContact CD1-CB 4.06Å; F120-L122 HydrophobicContact CE1-CB 4.26Å; F120-L122 HydrophobicContact CE1-CD1 4.08Å; F120-L122 PolarHBondContact O-N 3.36Å; F120-L122 VanDerWaalsContact O-N 3.09Å; F120-F125 HydrophobicContact CE1-CD2 4.24Å; F120-F125 AromaticContact CE1-CE2 3.98Å; F120-F125 HydrophobicContact CE1-CE2 3.98Å; F120-F125 HydrophobicContact CZ-CD2 4.42Å; F120-F125 AromaticContact CZ-CE2 3.73Å; F120-F125 HydrophobicContact CZ-CE2 3.73Å; F120-F125 HydrophobicContact CZ-CZ 4.47Å; F120-F192 HydrophobicContact CB-CE1 4.27Å; F120-F192 HydrophobicContact CD1-CE1 4.31Å; F120-F192 WeakPolarHBondContact O-CE1 3.1Å; F120-Q195 PolarHBondContact O-NE2 2.65Å
121	N	98.7	Very high	98.6	Very high	87 Å²	87	48 Å²	48	47%	0.465	28%	0.282	S	S	.	.			trans	-83.9	81.3	177.3	-175.6	11.1	0	0	0	110.9	S123 A124	N121-S123 VanDerWaalsContact C-N 3.25Å; N121-S123 PolarHBondContact O-N 2.67Å; N121-S123 PolarHBondContact OD1-N 3.43Å; N121-S123 PolarHBondContact OD1-OG 3.23Å; N121-A124 PolarHBondContact OD1-N 3.29Å
122	L	98.9	Very high	98.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-69.6	-25.2	175.7	-171.1	57.5	0	0	0	112.2	V86 A114 F120 A124 F125 F126 T159 M160 F192	V86-L122 HydrophobicContact CG1-CD1 3.88Å; V86-L122 HydrophobicContact CG1-CD2 4.47Å; A114-L122 HydrophobicContact CB-CD1 3.83Å; F120-L122 HydrophobicContact CD1-CB 4.06Å; F120-L122 HydrophobicContact CE1-CB 4.26Å; F120-L122 HydrophobicContact CE1-CD1 4.08Å; F120-L122 PolarHBondContact O-N 3.36Å; F120-L122 VanDerWaalsContact O-N 3.09Å; L122-A124 PolarHBondContact O-N 3.13Å; L122-F125 HydrophobicContact CD1-CD2 4.43Å; L122-F125 WeakPolarHBondContact O-CB 3.45Å; L122-F125 PolarHBondContact O-N 3.39Å; L122-F126 HydrophobicContact CB-CE1 4.43Å; L122-F126 HydrophobicContact CG-CE1 4.04Å; L122-T159 HydrophobicContact CD2-CG2 3.86Å; L122-M160 HydrophobicContact CD1-CE 4.25Å; L122-F192 HydrophobicContact CB-CD1 3.98Å; L122-F192 HydrophobicContact CB-CE1 3.7Å; L122-F192 HydrophobicContact CB-CZ 4.27Å; L122-F192 HydrophobicContact CD2-CD1 4.38Å; L122-F192 HydrophobicContact CD2-CD2 4.31Å; L122-F192 HydrophobicContact CD2-CE1 4.22Å; L122-F192 HydrophobicContact CD2-CE2 4.16Å; L122-F192 HydrophobicContact CD2-CG 4.43Å; L122-F192 HydrophobicContact CD2-CZ 4.1Å
123	S	98.8	Very high	98.6	Very high	43 Å²	43	47.7 Å²	47.7	30%	0.301	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-60.8	-27.2	-179.8	80.3	0	0	0	0	113.8	N121 F125 F126	N121-S123 VanDerWaalsContact C-N 3.25Å; N121-S123 PolarHBondContact O-N 2.67Å; N121-S123 PolarHBondContact OD1-N 3.43Å; N121-S123 PolarHBondContact OD1-OG 3.23Å; S123-F125 PolarHBondContact O-N 2.89Å; S123-F125 VanDerWaalsContact O-N 3.13Å; S123-F126 PolarHBondContact O-N 3.15Å; S123-F126 VanDerWaalsContact O-N 3.15Å
124	A	98.8	Very high	98.6	Very high	68 Å²	68	46.9 Å²	46.9	56%	0.562	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-59.3	-22.3	173.1	0	0	0	0	0	113	N121 L122	N121-A124 PolarHBondContact OD1-N 3.29Å; L122-A124 PolarHBondContact O-N 3.13Å
125	F	98.9	Very high	98.6	Very high	46 Å²	46	53.4 Å²	53.4	20%	0.202	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-105.1	1.5	-178.7	-58.4	-86.5	0	0	0	113.5	I112 F120 L122 S123 E127 E128 G129 M160	I112-F125 HydrophobicContact CD1-CB 4.07Å; I112-F125 HydrophobicContact CG1-CD1 4.34Å; I112-F125 HydrophobicContact CG2-CB 4.13Å; I112-F125 HydrophobicContact CG2-CD1 3.72Å; I112-F125 HydrophobicContact CG2-CD2 4.1Å; I112-F125 HydrophobicContact CG2-CE1 4.12Å; I112-F125 HydrophobicContact CG2-CE2 4.47Å; I112-F125 HydrophobicContact CG2-CG 3.71Å; I112-F125 HydrophobicContact CG2-CZ 4.47Å; F120-F125 HydrophobicContact CE1-CD2 4.24Å; F120-F125 AromaticContact CE1-CE2 3.98Å; F120-F125 HydrophobicContact CE1-CE2 3.98Å; F120-F125 HydrophobicContact CZ-CD2 4.42Å; F120-F125 AromaticContact CZ-CE2 3.73Å; F120-F125 HydrophobicContact CZ-CE2 3.73Å; F120-F125 HydrophobicContact CZ-CZ 4.47Å; L122-F125 HydrophobicContact CD1-CD2 4.43Å; L122-F125 WeakPolarHBondContact O-CB 3.45Å; L122-F125 PolarHBondContact O-N 3.39Å; S123-F125 PolarHBondContact O-N 2.89Å; S123-F125 VanDerWaalsContact O-N 3.13Å; F125-E127 PolarHBondContact O-N 2.89Å; F125-E128 PolarHBondContact O-N 3.32Å; F125-G129 PolarHBondContact O-N 3.25Å; F125-M160 HydrophobicContact CB-CE 4.07Å; F125-M160 WeakPolarHBondContact O-CE 3.49Å
126	F	98.9	Very high	98.6	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-49.1	-175.7	-74.8	-11.9	0	0	0	112.4	L122 S123 G129 A130 T159 M160 A163 M167 Q195 L196 L199	L122-F126 HydrophobicContact CB-CE1 4.43Å; L122-F126 HydrophobicContact CG-CE1 4.04Å; S123-F126 PolarHBondContact O-N 3.15Å; S123-F126 VanDerWaalsContact O-N 3.15Å; F126-G129 PolarHBondContact O-N 3.47Å; F126-A130 WeakPolarHBondContact O-CB 3.4Å; F126-A130 PolarHBondContact O-N 3.16Å; F126-T159 HydrophobicContact CE1-CG2 3.92Å; F126-T159 HydrophobicContact CZ-CG2 3.94Å; F126-M160 HydrophobicContact CD1-CE 4.38Å; F126-M160 HydrophobicContact CD1-SD 4.34Å; F126-A163 HydrophobicContact CB-CB 4.29Å; F126-A163 HydrophobicContact CD1-CB 3.65Å; F126-A163 HydrophobicContact CD2-CB 3.79Å; F126-A163 HydrophobicContact CE1-CB 3.8Å; F126-A163 HydrophobicContact CE2-CB 3.94Å; F126-A163 HydrophobicContact CG-CB 3.64Å; F126-A163 HydrophobicContact CZ-CB 3.94Å; F126-M167 HydrophobicContact CB-CE 3.81Å; F126-M167 HydrophobicContact CB-SD 4.23Å; F126-M167 WeakPolarHBondContact O-CE 3.31Å; F126-Q195 HydrophobicContact CZ-CB 4.39Å; F126-L196 HydrophobicContact CE2-CD2 4.29Å; F126-L196 HydrophobicContact CZ-CD2 4.03Å; F126-L199 HydrophobicContact CD2-CD2 3.85Å; F126-L199 HydrophobicContact CE2-CB 4.41Å; F126-L199 HydrophobicContact CE2-CD2 4.01Å
127	E	98.7	Very high	98.6	Very high	92 Å²	92	48.2 Å²	48.2	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-43.2	177.7	-70.8	-70.9	-178.9	0	0	111.5	F125 G129 A130 D131 R168	F125-E127 PolarHBondContact O-N 2.89Å; E127-G129 PolarHBondContact O-N 3.35Å; E127-A130 PolarHBondContact O-N 2.82Å; E127-D131 WeakPolarHBondContact O-CB 3.43Å; E127-D131 VanDerWaalsContact O-CG 3.29Å; E127-D131 PolarHBondContact O-N 3.19Å; E127-R168 IonicContact OE1-NH1 3.93Å; E127-R168 IonicContact OE2-CZ 3.33Å; E127-R168 IonicContact OE2-NH1 3Å; E127-R168 PolarHBondContact OE2-NH1 3.09Å; E127-R168 IonicContact OE2-NH2 2.72Å; E127-R168 PolarHBondContact OE2-NH2 3.4Å
128	E	98.7	Very high	98.6	Very high	72 Å²	72	47.8 Å²	47.8	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-48.9	178	-178.3	-171.8	134.7	0	0	112.3	H110 F125 F132	H110-E128 IonicContact CD2-OE1 3.79Å; H110-E128 IonicContact CE1-OE1 3.43Å; H110-E128 PolarHBondContact CE1-OE1 2.86Å; H110-E128 IonicContact NE2-OE1 2.67Å; H110-E128 PolarHBondContact NE2-OE1 3Å; F125-E128 PolarHBondContact O-N 3.32Å; E128-F132 PolarHBondContact O-N 3.34Å; E128-F132 VanDerWaalsContact O-N 3.12Å
129	G	98.9	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.4	-38.8	178.2	0	0	0	0	0	112.6	F125 F126 E127 F132 I133	F125-G129 PolarHBondContact O-N 3.25Å; F126-G129 PolarHBondContact O-N 3.47Å; E127-G129 PolarHBondContact O-N 3.35Å; G129-F132 PolarHBondContact O-N 3.47Å; G129-I133 VanDerWaalsContact O-CG1 3.29Å; G129-I133 WeakPolarHBondContact O-CG1 3.41Å; G129-I133 PolarHBondContact O-N 3.41Å
130	A	98.9	Very high	98.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-43.2	176.9	0	0	0	0	0	112.2	F126 E127 F132 I133 D134 Y164 M167	F126-A130 WeakPolarHBondContact O-CB 3.4Å; F126-A130 PolarHBondContact O-N 3.16Å; E127-A130 PolarHBondContact O-N 2.82Å; A130-F132 VanDerWaalsContact C-N 3.3Å; A130-F132 PolarHBondContact O-N 3.09Å; A130-I133 PolarHBondContact O-N 2.94Å; A130-D134 PolarHBondContact O-N 3Å; A130-Y164 HydrophobicContact CB-CD2 3.91Å; A130-M167 HydrophobicContact CB-CE 3.45Å; A130-M167 VanDerWaalsContact CB-CE 3.45Å
131	D	98.8	Very high	98.3	Very high	65 Å²	65	52.8 Å²	52.8	35%	0.348	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-38.8	174.9	-77.6	-10.8	0	0	0	112	E127 D134 R135 R168	E127-D131 WeakPolarHBondContact O-CB 3.43Å; E127-D131 VanDerWaalsContact O-CG 3.29Å; E127-D131 PolarHBondContact O-N 3.19Å; D131-D134 PolarHBondContact O-N 3.45Å; D131-R135 WeakPolarHBondContact O-CB 3.27Å; D131-R135 VanDerWaalsContact O-CG 3.32Å; D131-R135 WeakPolarHBondContact O-CG 3.23Å; D131-R135 PolarHBondContact O-N 3.24Å; D131-R168 IonicContact OD1-CZ 3.81Å; D131-R168 IonicContact OD1-NH2 2.69Å; D131-R168 PolarHBondContact OD1-NH2 2.63Å
132	F	98.9	Very high	98.2	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-42.5	174.5	-177.2	-92.6	0	0	0	111.8	H82 V83 L84 T108 H110 E128 G129 A130 G136 V146	H82-F132 HydrophobicContact CB-CE1 3.9Å; H82-F132 HydrophobicContact CB-CZ 3.93Å; H82-F132 AromaticContact CD2-CZ 3.82Å; V83-F132 WeakPolarHBondContact O-CZ 3.3Å; L84-F132 HydrophobicContact CB-CD1 3.77Å; L84-F132 HydrophobicContact CB-CE1 3.77Å; L84-F132 HydrophobicContact CD1-CD1 4.12Å; L84-F132 HydrophobicContact CD1-CG 4.47Å; L84-F132 HydrophobicContact CD2-CD1 4.3Å; L84-F132 HydrophobicContact CG-CD1 4.28Å; T108-F132 HydrophobicContact CG2-CE2 4.08Å; T108-F132 HydrophobicContact CG2-CZ 4.48Å; H110-F132 HydrophobicContact CB-CD1 4.33Å; H110-F132 HydrophobicContact CB-CD2 3.37Å; H110-F132 HydrophobicContact CB-CE1 4.24Å; H110-F132 HydrophobicContact CB-CE2 3.27Å; H110-F132 HydrophobicContact CB-CG 3.92Å; H110-F132 HydrophobicContact CB-CZ 3.73Å; H110-F132 AromaticContact CG-CD2 3.95Å; E128-F132 PolarHBondContact O-N 3.34Å; E128-F132 VanDerWaalsContact O-N 3.12Å; G129-F132 PolarHBondContact O-N 3.47Å; A130-F132 VanDerWaalsContact C-N 3.3Å; A130-F132 PolarHBondContact O-N 3.09Å; F132-G136 PolarHBondContact O-N 2.89Å; F132-V146 HydrophobicContact CE1-CG1 4.34Å
133	I	98.9	Very high	98.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-47.3	176.2	-66.1	163.2	0	0	0	110.4	I61 L84 G129 A130 R135 G136 L137 V146 V148 M160 Y164	I61-I133 HydrophobicContact CD1-CG2 3.9Å; I61-I133 HydrophobicContact CG1-CG2 4.35Å; L84-I133 HydrophobicContact CD2-CD1 4.27Å; L84-I133 HydrophobicContact CD2-CG1 4.18Å; G129-I133 VanDerWaalsContact O-CG1 3.29Å; G129-I133 WeakPolarHBondContact O-CG1 3.41Å; G129-I133 PolarHBondContact O-N 3.41Å; A130-I133 PolarHBondContact O-N 2.94Å; I133-R135 PolarHBondContact O-N 3.12Å; I133-G136 PolarHBondContact O-N 3.1Å; I133-G136 VanDerWaalsContact O-N 3.13Å; I133-L137 HydrophobicContact CG2-CD1 3.85Å; I133-L137 HydrophobicContact CG2-CG 4.29Å; I133-L137 WeakPolarHBondContact O-CG 3.44Å; I133-L137 PolarHBondContact O-N 3.14Å; I133-V146 HydrophobicContact CG1-CG1 4.22Å; I133-V148 HydrophobicContact CD1-CG2 4.07Å; I133-V148 HydrophobicContact CG1-CG2 4.1Å; I133-M160 HydrophobicContact CD1-CG 4.49Å; I133-Y164 HydrophobicContact CB-CD2 3.78Å; I133-Y164 HydrophobicContact CB-CE2 3.88Å; I133-Y164 HydrophobicContact CB-CG 4.32Å; I133-Y164 HydrophobicContact CD1-CD2 4.13Å; I133-Y164 HydrophobicContact CD1-CG 3.92Å; I133-Y164 HydrophobicContact CG2-CD1 4.12Å; I133-Y164 HydrophobicContact CG2-CD2 3.71Å; I133-Y164 HydrophobicContact CG2-CE1 3.96Å; I133-Y164 HydrophobicContact CG2-CE2 3.47Å; I133-Y164 VanDerWaalsContact CG2-CE2 3.47Å; I133-Y164 HydrophobicContact CG2-CG 4.02Å
134	D	98.6	Very high	98.1	Very high	55 Å²	55	55.7 Å²	55.7	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-57.1	-49.6	177.5	-86.2	-31.6	0	0	0	111.9	A130 D131 G136 L137 A138 Y164 R168	A130-D134 PolarHBondContact O-N 3Å; D131-D134 PolarHBondContact O-N 3.45Å; D134-G136 VanDerWaalsContact C-N 3.27Å; D134-G136 PolarHBondContact O-N 3.41Å; D134-L137 PolarHBondContact O-N 2.63Å; D134-A138 WeakPolarHBondContact O-CB 3.47Å; D134-A138 PolarHBondContact O-N 3.41Å; D134-Y164 WeakPolarHBondContact OD1-CE2 3.41Å; D134-Y164 PolarHBondContact OD1-OH 3.01Å; D134-R168 WeakPolarHBondContact OD2-CD 3.14Å; D134-R168 WeakPolarHBondContact OD2-CG 3.48Å; D134-R168 IonicContact OD2-CZ 3.96Å; D134-R168 IonicContact OD2-NE 2.84Å; D134-R168 PolarHBondContact OD2-NE 3.19Å
135	R	98.6	Very high	98.1	Very high	138 Å²	138	55.3 Å²	55.3	52%	0.521	28%	0.278	S	S	.	.	H	α-helix	trans	-57.5	-43.7	175.9	-74.1	-171.2	-61.5	-100	2.6	111.2	D131 I133 L137 A138 H139	D131-R135 WeakPolarHBondContact O-CB 3.27Å; D131-R135 VanDerWaalsContact O-CG 3.32Å; D131-R135 WeakPolarHBondContact O-CG 3.23Å; D131-R135 PolarHBondContact O-N 3.24Å; I133-R135 PolarHBondContact O-N 3.12Å; R135-L137 PolarHBondContact O-N 2.86Å; R135-A138 PolarHBondContact O-N 2.74Å; R135-H139 PolarHBondContact O-N 3.08Å; R135-H139 VanDerWaalsContact O-N 3.12Å
136	G	98.8	Very high	98.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-37.7	179.3	0	0	0	0	0	113.6	H82 F132 I133 D134 H139 G144	H82-G136 VanDerWaalsContact CD2-CA 3.48Å; H82-G136 WeakPolarHBondContact CD2-CA 3.29Å; H82-G136 WeakPolarHBondContact ND1-CA 3.23Å; F132-G136 PolarHBondContact O-N 2.89Å; I133-G136 PolarHBondContact O-N 3.1Å; I133-G136 VanDerWaalsContact O-N 3.13Å; D134-G136 VanDerWaalsContact C-N 3.27Å; D134-G136 PolarHBondContact O-N 3.41Å; G136-H139 VanDerWaalsContact O-CB 3.31Å; G136-H139 WeakPolarHBondContact O-CB 3.49Å; G136-H139 PolarHBondContact O-N 3.48Å; G136-G144 CarbonylContact O-C 3.56Å; G136-G144 VanDerWaalsContact O-CA 3.3Å; G136-G144 WeakPolarHBondContact O-CA 3.47Å
137	L	98.7	Very high	98.1	Very high	18 Å²	18	52.8 Å²	52.8	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-74.1	-32.1	176.9	-68.1	173.5	0	0	0	112.9	R60 I61 I133 D134 R135 H139 G142 V146 Y164	R60-L137 HydrophobicContact CB-CD2 3.74Å; R60-L137 PolarHBondContact NH1-O 2.97Å; I61-L137 HydrophobicContact CD1-CD1 4Å; I61-L137 HydrophobicContact CG1-CD1 4.09Å; I61-L137 HydrophobicContact CG1-CD2 4.06Å; I133-L137 HydrophobicContact CG2-CD1 3.85Å; I133-L137 HydrophobicContact CG2-CG 4.29Å; I133-L137 WeakPolarHBondContact O-CG 3.44Å; I133-L137 PolarHBondContact O-N 3.14Å; D134-L137 PolarHBondContact O-N 2.63Å; R135-L137 PolarHBondContact O-N 2.86Å; L137-H139 VanDerWaalsContact C-N 3.28Å; L137-G142 CarbonylContact O-C 3.6Å; L137-G142 WeakPolarHBondContact O-CA 3.44Å; L137-V146 HydrophobicContact CD2-CG2 4.14Å; L137-V146 HydrophobicContact CG-CG2 4.07Å; L137-Y164 VanDerWaalsContact CD1-OH 3.26Å; L137-Y164 WeakPolarHBondContact CD1-OH 3.48Å
138	A	98.3	Very high	98.1	Very high	67 Å²	67	48.4 Å²	48.4	55%	0.554	25%	0.246	S	C	*	.	H	α-helix	trans	-73.2	-20.8	175.2	0	0	0	0	0	112.9	D134 R135 G142	D134-A138 WeakPolarHBondContact O-CB 3.47Å; D134-A138 PolarHBondContact O-N 3.41Å; R135-A138 PolarHBondContact O-N 2.74Å; A138-G142 PolarHBondContact O-N 2.93Å
139	H	97.4	Very high	98.1	Very high	62 Å²	62	45 Å²	45	29%	0.287	23%	0.23	S	C	.	.	H	α-helix	trans	-56.2	149.1	-179	-167.6	-114.7	0	0	0	113.1	H82 R135 G136 L137 N141 G142 K143 G144	H82-H139 AromaticContact CE1-CD2 3.93Å; H82-H139 AromaticContact CE1-CG 3.54Å; H82-H139 AromaticContact CE1-ND1 3.86Å; R135-H139 PolarHBondContact O-N 3.08Å; R135-H139 VanDerWaalsContact O-N 3.12Å; G136-H139 VanDerWaalsContact O-CB 3.31Å; G136-H139 WeakPolarHBondContact O-CB 3.49Å; G136-H139 PolarHBondContact O-N 3.48Å; L137-H139 VanDerWaalsContact C-N 3.28Å; H139-N141 PolarHBondContact O-N 3.13Å; H139-G142 PolarHBondContact O-N 2.97Å; H139-K143 PolarHBondContact O-N 3.27Å; H139-G144 PolarHBondContact O-N 2.97Å
140	H	94.8	Very high	98.1	Very high	118 Å²	118	45 Å²	45	55%	0.546	23%	0.231	S	C	.	.	H	α-helix	trans	48.4	53.3	-176.7	-66.7	-49.6	0	0	0	114.1	G142 K143	H140-G142 VanDerWaalsContact C-N 3.33Å; H140-G142 PolarHBondContact O-N 3.39Å; H140-K143 HydrophobicContact CB-CB 4.4Å; H140-K143 WeakPolarHBondContact O-CB 3.44Å; H140-K143 WeakPolarHBondContact O-CG 3.41Å; H140-K143 PolarHBondContact O-N 2.97Å
141	N	94.8	Very high	98.1	Very high	164 Å²	164	48.1 Å²	48.1	88%	0.877	24%	0.242	S	C	*	.	H	α-helix	trans	56.1	46.2	-179.5	-57.3	-17.8	0	0	0	112.2	H139	H139-N141 PolarHBondContact O-N 3.13Å
142	G	96	Very high	98.1	Very high	33 Å²	33	49.8 Å²	49.8	34%	0.34	25%	0.248	S	C	.	.	H	α-helix	trans	73.8	27.1	178.9	0	0	0	0	0	114.2	R60 L137 A138 H139 H140	R60-G142 PolarHBondContact NH1-O 3.33Å; R60-G142 PolarHBondContact NH2-O 3.02Å; L137-G142 CarbonylContact O-C 3.6Å; L137-G142 WeakPolarHBondContact O-CA 3.44Å; A138-G142 PolarHBondContact O-N 2.93Å; H139-G142 PolarHBondContact O-N 2.97Å; H140-G142 VanDerWaalsContact C-N 3.33Å; H140-G142 PolarHBondContact O-N 3.39Å
143	K	97.3	Very high	98.1	Very high	159 Å²	159	49.5 Å²	49.5	69%	0.691	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114	-2.9	177.5	-61.8	-178.1	-177.5	-179.8	0	113.7	H139 H140	H139-K143 PolarHBondContact O-N 3.27Å; H140-K143 HydrophobicContact CB-CB 4.4Å; H140-K143 WeakPolarHBondContact O-CB 3.44Å; H140-K143 WeakPolarHBondContact O-CG 3.41Å; H140-K143 PolarHBondContact O-N 2.97Å
144	G	98.5	Very high	98.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.			trans	-61.3	151.6	178.4	0	0	0	0	0	112.6	R60 T81 G136 H139	R60-G144 WeakPolarHBondContact CD-O 3.33Å; R60-G144 PolarHBondContact NH1-O 2.84Å; T81-G144 WeakPolarHBondContact OG1-CA 3.45Å; G136-G144 CarbonylContact O-C 3.56Å; G136-G144 VanDerWaalsContact O-CA 3.3Å; G136-G144 WeakPolarHBondContact O-CA 3.47Å; H139-G144 PolarHBondContact O-N 2.97Å
145	K	98.9	Very high	98.1	Very high	59 Å²	59	49.1 Å²	49.1	26%	0.257	24%	0.242	S	C	.	.			trans	-124.5	138.5	177.8	-65.4	-178.9	179.2	-166.3	0	109.5	R60 Y62 L78 T81 H82	R60-K145 HydrophobicContact CB-CG 4.04Å; R60-K145 HydrophobicContact CG-CG 4.2Å; R60-K145 WeakPolarHBondContact O-CA 3.42Å; Y62-K145 HydrophobicContact CE2-CB 4.1Å; Y62-K145 HydrophobicContact CE2-CD 3.88Å; Y62-K145 HydrophobicContact CE2-CG 4.22Å; Y62-K145 PolarHBondContact OH-NZ 2.83Å; L78-K145 PolarHBondContact O-NZ 2.96Å; T81-K145 PolarHBondContact N-O 2.86Å; T81-K145 PolarHBondContact OG1-N 2.93Å; T81-K145 PolarHBondContact OG1-O 3.23Å; H82-K145 PolarHBondContact N-O 3.17Å; H82-K145 VanDerWaalsContact N-O 3.08Å
146	V	98.9	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128	-175.8	-168.2	0	0	0	0	109.8	R60 Y62 H82 F132 I133 L137 V148	R60-V146 PolarHBondContact O-N 2.98Å; Y62-V146 PolarHBondContact N-O 2.81Å; H82-V146 HydrophobicContact CB-CB 4.42Å; H82-V146 HydrophobicContact CB-CG1 4.14Å; H82-V146 HydrophobicContact CB-CG2 4.14Å; H82-V146 CarbonylContact O-C 3.31Å; H82-V146 WeakPolarHBondContact O-CA 3.34Å; F132-V146 HydrophobicContact CE1-CG1 4.34Å; I133-V146 HydrophobicContact CG1-CG1 4.22Å; L137-V146 HydrophobicContact CD2-CG2 4.14Å; L137-V146 HydrophobicContact CG-CG2 4.07Å; V146-V148 HydrophobicContact CG1-CG2 3.95Å
147	Y	98.9	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	104.6	173.3	-173.6	-98.5	0	0	0	109.2	F54 G64 N65 V68 A69 L75 H82 V83 L84 H149	F54-Y147 HydrophobicContact CB-CE2 3.72Å; F54-Y147 HydrophobicContact CG-CE2 4.32Å; G64-Y147 WeakPolarHBondContact CA-OH 3.5Å; N65-Y147 PolarHBondContact N-OH 2.9Å; N65-Y147 PolarHBondContact O-OH 2.85Å; V68-Y147 HydrophobicContact CB-CE1 4.49Å; V68-Y147 HydrophobicContact CB-CE2 4.44Å; V68-Y147 WeakPolarHBondContact CB-OH 3.26Å; V68-Y147 HydrophobicContact CG1-CE1 4.4Å; V68-Y147 HydrophobicContact CG1-CE2 3.99Å; A69-Y147 HydrophobicContact CB-CE1 4.23Å; L75-Y147 HydrophobicContact CD2-CD1 3.77Å; L75-Y147 HydrophobicContact CD2-CD2 3.94Å; L75-Y147 HydrophobicContact CD2-CE1 4.23Å; L75-Y147 HydrophobicContact CD2-CE2 4.42Å; L75-Y147 HydrophobicContact CD2-CG 3.62Å; H82-Y147 PolarHBondContact O-N 2.99Å; V83-Y147 WeakPolarHBondContact CA-O 3.48Å; L84-Y147 PolarHBondContact N-O 2.83Å; Y147-H149 HydrophobicContact CD1-CB 4.02Å; Y147-H149 AromaticContact CD1-CD2 3.95Å; Y147-H149 HydrophobicContact CE1-CB 3.46Å; Y147-H149 VanDerWaalsContact CE1-CB 3.46Å; Y147-H149 AromaticContact CE1-CD2 3.94Å; Y147-H149 AromaticContact CE1-CG 3.88Å
148	V	98.9	Very high	98.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.3	178.2	-171	0	0	0	0	108	I61 Y62 I63 G64 L84 V86 I133 V146 M160 V161	I61-V148 HydrophobicContact CG2-CG2 4.32Å; Y62-V148 PolarHBondContact O-N 2.94Å; I63-V148 VanDerWaalsContact CA-O 3.3Å; I63-V148 WeakPolarHBondContact CA-O 3.39Å; G64-V148 PolarHBondContact N-O 3.01Å; L84-V148 HydrophobicContact CB-CB 4.49Å; L84-V148 HydrophobicContact CB-CG1 4.26Å; L84-V148 HydrophobicContact CB-CG2 4.24Å; L84-V148 HydrophobicContact CD2-CG1 4Å; L84-V148 HydrophobicContact CD2-CG2 4.34Å; L84-V148 HydrophobicContact CG-CG1 4.22Å; L84-V148 WeakPolarHBondContact O-CA 3.49Å; V86-V148 HydrophobicContact CG2-CG1 3.72Å; I133-V148 HydrophobicContact CD1-CG2 4.07Å; I133-V148 HydrophobicContact CG1-CG2 4.1Å; V146-V148 HydrophobicContact CG1-CG2 3.95Å; V148-M160 HydrophobicContact CG1-CB 4.49Å; V148-M160 HydrophobicContact CG1-CG 4.5Å; V148-V161 HydrophobicContact CB-CG2 3.81Å; V148-V161 HydrophobicContact CG1-CG2 3.9Å; V148-V161 HydrophobicContact CG2-CG2 3.89Å
149	H	98.9	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163.3	-176.7	78.7	91.1	0	0	0	112.6	G64 A69 L84 N85 V86 Y147 S157	G64-H149 WeakPolarHBondContact O-CA 3.32Å; G64-H149 WeakPolarHBondContact O-CB 3.37Å; A69-H149 VanDerWaalsContact CB-CE1 3.43Å; A69-H149 WeakPolarHBondContact CB-CE1 3.37Å; A69-H149 WeakPolarHBondContact CB-NE2 3.42Å; L84-H149 PolarHBondContact O-N 2.92Å; N85-H149 VanDerWaalsContact CB-NE2 3.33Å; N85-H149 WeakPolarHBondContact CB-NE2 3.29Å; N85-H149 PolarHBondContact OD1-CE1 2.89Å; V86-H149 PolarHBondContact N-O 2.88Å; Y147-H149 HydrophobicContact CD1-CB 4.02Å; Y147-H149 AromaticContact CD1-CD2 3.95Å; Y147-H149 HydrophobicContact CE1-CB 3.46Å; Y147-H149 VanDerWaalsContact CE1-CB 3.46Å; Y147-H149 AromaticContact CE1-CD2 3.94Å; Y147-H149 AromaticContact CE1-CG 3.88Å; H149-S157 VanDerWaalsContact C-CB 3.43Å
150	C	98.7	Very high	98.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	17%	0.173	C	C	.	.			trans	-132.5	-146.7	162	64.3	0	0	0	0	107.2	A66 A87 G153 R156 S157	A66-C150 PolarHBondContact N-O 3.23Å; A87-C150 HydrophobicContact CB-CB 3.77Å; C150-G153 PolarHBondContact SG-N 3.47Å; C150-R156 HydrophobicContact CB-CB 3.79Å; C150-S157 PolarHBondContact N-OG 2.85Å; C150-S157 VanDerWaalsContact N-OG 3.12Å; C150-S157 PolarHBondContact SG-OG 3.01Å
151	R	98.6	Very high	98.4	Very high	65 Å²	65	30 Å²	30	25%	0.245	15%	0.147	C	C	.	.	S	Bend	trans	-64.1	-60.7	172.8	-171.3	65.4	174.2	-144.4	-5.4	112.2	N65 A66 F92 H94 V95	N65-R151 WeakPolarHBondContact CA-O 3.38Å; N65-R151 WeakPolarHBondContact CB-O 3.31Å; A66-R151 WeakPolarHBondContact CB-O 3.46Å; A66-R151 PolarHBondContact N-O 3.46Å; F92-R151 PolarHBondContact O-NH1 3.33Å; F92-R151 PolarHBondContact O-NH2 3.18Å; H94-R151 PolarHBondContact O-NH1 3.09Å; V95-R151 HydrophobicContact CG2-CB 4.44Å
152	E	98.4	Very high	98.6	Very high	101 Å²	101	22.2 Å²	22.2	47%	0.472	11%	0.105	S	C	.	.	S	Bend	trans	-103.1	-7.8	-175.6	-58.8	-53.7	144.2	0	0	114.3	Y154 R184	E152-Y154 VanDerWaalsContact C-N 3.28Å; E152-Y154 PolarHBondContact O-N 3.09Å; E152-R184 PolarHBondContact O-NH2 2.95Å
153	G	98.6	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	64.4	33	-169.9	0	0	0	0	0	112.9	G64 C150 S157 R184	G64-G153 WeakPolarHBondContact O-CA 3.38Å; G64-G153 PolarHBondContact O-N 3.39Å; C150-G153 PolarHBondContact SG-N 3.47Å; G153-S157 WeakPolarHBondContact CA-OG 3.43Å; G153-R184 PolarHBondContact O-NE 2.58Å
154	Y	98.8	Very high	98.8	Very high	44 Å²	44	13.4 Å²	13.4	17%	0.173	6%	0.057	C	C	.	.	S	Bend	trans	-116.7	-41	-168.1	-175.7	-106.6	0	0	0	114.2	Y47 N48 L49 P50 E152 P158 I186 G187	Y47-Y154 WeakPolarHBondContact CB-OH 3.26Å; N48-Y154 WeakPolarHBondContact O-CE2 3.38Å; L49-Y154 HydrophobicContact CD2-CE2 4.2Å; P50-Y154 HydrophobicContact CG-CD2 3.9Å; E152-Y154 VanDerWaalsContact C-N 3.28Å; E152-Y154 PolarHBondContact O-N 3.09Å; Y154-P158 WeakPolarHBondContact O-CG 3.41Å; Y154-I186 VanDerWaalsContact CE2-C 3.41Å; Y154-G187 WeakPolarHBondContact CD1-O 3.25Å; Y154-G187 VanDerWaalsContact CE1-O 3.27Å; Y154-G187 WeakPolarHBondContact CE1-O 3.38Å; Y154-G187 VanDerWaalsContact CE2-N 3.32Å; Y154-G187 VanDerWaalsContact CZ-CA 3.46Å; Y154-G187 CarbonylContact O-C 3.52Å; Y154-G187 PolarHBondContact O-N 3.25Å
155	S	98.8	Very high	98.8	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.021	6%	0.057	C	C	.	.	S	Bend	trans	-117.4	-75.2	-176.7	168.9	0	0	0	0	112	D116 S157 P158 T159 G187 P188 N189 F192	D116-S155 VanDerWaalsContact OD1-CB 3.29Å; D116-S155 WeakPolarHBondContact OD1-CB 3.38Å; D116-S155 PolarHBondContact OD1-OG 3.36Å; D116-S155 VanDerWaalsContact OD2-CB 3.24Å; D116-S155 WeakPolarHBondContact OD2-CB 3.3Å; D116-S155 PolarHBondContact OD2-OG 3.41Å; S155-S157 PolarHBondContact O-N 3.38Å; S155-P158 VanDerWaalsContact O-CD 3.31Å; S155-P158 WeakPolarHBondContact O-CD 3.31Å; S155-T159 PolarHBondContact O-N 3.04Å; S155-T159 PolarHBondContact O-OG1 3.16Å; S155-G187 WeakPolarHBondContact CB-O 3.37Å; S155-P188 WeakPolarHBondContact OG-CA 3.27Å; S155-N189 PolarHBondContact OG-N 3.39Å; S155-F192 WeakPolarHBondContact OG-CD2 3.46Å
156	R	98.9	Very high	98.8	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.008	5%	0.045	C	C	.	.	H	α-helix	trans	-53.6	-52.7	-175.6	-69.6	164.6	-77.4	-176.9	-5.6	115.3	V86 M93 A114 D116 C150 T159 M160 F192	V86-R156 HydrophobicContact CB-CB 4.35Å; V86-R156 HydrophobicContact CG1-CB 4.11Å; V86-R156 WeakPolarHBondContact O-CB 3.37Å; V86-R156 WeakPolarHBondContact O-CD 3.49Å; M93-R156 PolarHBondContact O-NH1 3.23Å; M93-R156 PolarHBondContact O-NH2 3.41Å; A114-R156 WeakPolarHBondContact O-CD 3.45Å; A114-R156 PolarHBondContact O-NH1 2.78Å; D116-R156 HydrophobicContact CB-CG 4.18Å; D116-R156 IonicContact OD2-NE 3.63Å; C150-R156 HydrophobicContact CB-CB 3.79Å; R156-T159 PolarHBondContact O-N 2.95Å; R156-M160 PolarHBondContact O-N 2.92Å; R156-M160 VanDerWaalsContact O-N 3.15Å; R156-F192 HydrophobicContact CB-CE2 4.37Å; R156-F192 HydrophobicContact CG-CE2 3.57Å; R156-F192 HydrophobicContact CG-CZ 3.98Å
157	S	98.9	Very high	98.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-69.6	-42	-177.9	34.5	0	0	0	0	113.3	H149 C150 G153 S155 T159 M160 V161	H149-S157 VanDerWaalsContact C-CB 3.43Å; C150-S157 PolarHBondContact N-OG 2.85Å; C150-S157 VanDerWaalsContact N-OG 3.12Å; C150-S157 PolarHBondContact SG-OG 3.01Å; G153-S157 WeakPolarHBondContact CA-OG 3.43Å; S155-S157 PolarHBondContact O-N 3.38Å; S157-T159 PolarHBondContact O-N 2.99Å; S157-M160 PolarHBondContact O-N 3.01Å; S157-V161 WeakPolarHBondContact O-CG2 3.3Å; S157-V161 PolarHBondContact O-N 3.07Å
158	P	98.9	Very high	98.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-54	-45.6	167	-31.5	37.8	0	0	0	114.2	I63 Y154 S155 M160 V161 V162 I186 P188	I63-P158 HydrophobicContact CD1-CB 4.24Å; I63-P158 HydrophobicContact CD1-CG 4.07Å; I63-P158 HydrophobicContact CG2-CG 4.08Å; Y154-P158 WeakPolarHBondContact O-CG 3.41Å; S155-P158 VanDerWaalsContact O-CD 3.31Å; S155-P158 WeakPolarHBondContact O-CD 3.31Å; P158-M160 VanDerWaalsContact C-N 3.29Å; P158-M160 PolarHBondContact O-N 3.43Å; P158-V161 PolarHBondContact O-N 3.45Å; P158-V162 WeakPolarHBondContact O-CB 3.43Å; P158-V162 VanDerWaalsContact O-CG2 3.23Å; P158-V162 WeakPolarHBondContact O-CG2 3.44Å; P158-V162 PolarHBondContact O-N 3.11Å; P158-I186 HydrophobicContact CB-CB 3.89Å; P158-I186 HydrophobicContact CB-CD1 3.94Å; P158-I186 HydrophobicContact CB-CG2 3.74Å; P158-I186 HydrophobicContact CG-CB 3.85Å; P158-I186 HydrophobicContact CG-CG2 3.37Å; P158-P188 HydrophobicContact CB-CG 4.39Å
159	T	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-56.3	-45.1	176.4	-54	0	0	0	0	111.7	L122 F126 S155 R156 S157 V161 V162 A163 P188 F192 L196	L122-T159 HydrophobicContact CD2-CG2 3.86Å; F126-T159 HydrophobicContact CE1-CG2 3.92Å; F126-T159 HydrophobicContact CZ-CG2 3.94Å; S155-T159 PolarHBondContact O-N 3.04Å; S155-T159 PolarHBondContact O-OG1 3.16Å; R156-T159 PolarHBondContact O-N 2.95Å; S157-T159 PolarHBondContact O-N 2.99Å; T159-V161 PolarHBondContact O-N 3.11Å; T159-V162 PolarHBondContact O-N 3.46Å; T159-A163 WeakPolarHBondContact O-CB 3.5Å; T159-A163 PolarHBondContact O-N 2.87Å; T159-P188 WeakPolarHBondContact OG1-CB 3.44Å; T159-F192 HydrophobicContact CG2-CB 3.8Å; T159-F192 HydrophobicContact CG2-CG 4.23Å; T159-L196 HydrophobicContact CG2-CD1 4.15Å; T159-L196 HydrophobicContact CG2-CD2 4.17Å; T159-L196 HydrophobicContact CG2-CG 4.09Å
160	M	98.9	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-45	178.1	-176	57.6	71.5	0	0	112.3	L84 V86 I112 L122 F125 F126 I133 V148 R156 S157 P158 A163 Y164	L84-M160 HydrophobicContact CD2-CG 3.95Å; V86-M160 HydrophobicContact CG1-CB 4.42Å; V86-M160 HydrophobicContact CG1-CE 4.35Å; V86-M160 HydrophobicContact CG2-CB 4.07Å; V86-M160 HydrophobicContact CG2-CG 4.24Å; I112-M160 HydrophobicContact CD1-CE 3.68Å; L122-M160 HydrophobicContact CD1-CE 4.25Å; F125-M160 HydrophobicContact CB-CE 4.07Å; F125-M160 WeakPolarHBondContact O-CE 3.49Å; F126-M160 HydrophobicContact CD1-CE 4.38Å; F126-M160 HydrophobicContact CD1-SD 4.34Å; I133-M160 HydrophobicContact CD1-CG 4.49Å; V148-M160 HydrophobicContact CG1-CB 4.49Å; V148-M160 HydrophobicContact CG1-CG 4.5Å; R156-M160 PolarHBondContact O-N 2.92Å; R156-M160 VanDerWaalsContact O-N 3.15Å; S157-M160 PolarHBondContact O-N 3.01Å; P158-M160 VanDerWaalsContact C-N 3.29Å; P158-M160 PolarHBondContact O-N 3.43Å; M160-A163 PolarHBondContact O-N 2.95Å; M160-Y164 PolarHBondContact O-N 3.36Å
161	V	98.9	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.4	-39.8	179.5	176	0	0	0	0	111.6	V57 I61 I63 V148 S157 P158 T159 Y164 L165 V180	V57-V161 HydrophobicContact CG2-CG1 3.96Å; I61-V161 HydrophobicContact CG2-CG1 4.09Å; I61-V161 HydrophobicContact CG2-CG2 4.18Å; I63-V161 HydrophobicContact CD1-CB 3.89Å; I63-V161 HydrophobicContact CD1-CG1 4.22Å; I63-V161 HydrophobicContact CD1-CG2 3.78Å; I63-V161 HydrophobicContact CG1-CB 4.37Å; I63-V161 HydrophobicContact CG1-CG2 3.73Å; V148-V161 HydrophobicContact CB-CG2 3.81Å; V148-V161 HydrophobicContact CG1-CG2 3.9Å; V148-V161 HydrophobicContact CG2-CG2 3.89Å; S157-V161 WeakPolarHBondContact O-CG2 3.3Å; S157-V161 PolarHBondContact O-N 3.07Å; P158-V161 PolarHBondContact O-N 3.45Å; T159-V161 PolarHBondContact O-N 3.11Å; V161-Y164 WeakPolarHBondContact O-CB 3.15Å; V161-Y164 PolarHBondContact O-N 3.05Å; V161-L165 WeakPolarHBondContact O-CG 3.39Å; V161-L165 PolarHBondContact O-N 2.84Å; V161-V180 HydrophobicContact CG1-CG2 4.05Å
162	V	98.9	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-46.8	175.2	173.2	0	0	0	0	110.3	P158 T159 Y164 L165 M166 A176 L177 V180 L196	P158-V162 WeakPolarHBondContact O-CB 3.43Å; P158-V162 VanDerWaalsContact O-CG2 3.23Å; P158-V162 WeakPolarHBondContact O-CG2 3.44Å; P158-V162 PolarHBondContact O-N 3.11Å; T159-V162 PolarHBondContact O-N 3.46Å; V162-Y164 VanDerWaalsContact C-N 3.34Å; V162-Y164 PolarHBondContact O-N 3.16Å; V162-L165 PolarHBondContact O-N 3.43Å; V162-M166 HydrophobicContact CG1-SD 4.08Å; V162-M166 VanDerWaalsContact O-CG 3.29Å; V162-M166 WeakPolarHBondContact O-CG 3.09Å; V162-M166 PolarHBondContact O-N 2.85Å; V162-A176 HydrophobicContact CG1-CB 3.79Å; V162-L177 HydrophobicContact CG1-CB 4.38Å; V162-L177 HydrophobicContact CG2-CD1 3.9Å; V162-V180 HydrophobicContact CG2-CB 4.2Å; V162-V180 HydrophobicContact CG2-CG2 3.8Å; V162-L196 HydrophobicContact CB-CD1 4.21Å; V162-L196 HydrophobicContact CB-CD2 4.39Å; V162-L196 HydrophobicContact CG1-CD1 3.75Å; V162-L196 HydrophobicContact CG1-CD2 3.99Å; V162-L196 HydrophobicContact CG1-CG 4.47Å
163	A	98.9	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.6	-42.8	175.6	0	0	0	0	0	112.3	F126 T159 M160 L165 M166 M167 L196 L199	F126-A163 HydrophobicContact CB-CB 4.29Å; F126-A163 HydrophobicContact CD1-CB 3.65Å; F126-A163 HydrophobicContact CD2-CB 3.79Å; F126-A163 HydrophobicContact CE1-CB 3.8Å; F126-A163 HydrophobicContact CE2-CB 3.94Å; F126-A163 HydrophobicContact CG-CB 3.64Å; F126-A163 HydrophobicContact CZ-CB 3.94Å; T159-A163 WeakPolarHBondContact O-CB 3.5Å; T159-A163 PolarHBondContact O-N 2.87Å; M160-A163 PolarHBondContact O-N 2.95Å; A163-L165 PolarHBondContact O-N 3.48Å; A163-M166 PolarHBondContact O-N 3.21Å; A163-M167 HydrophobicContact CB-CE 4.3Å; A163-M167 WeakPolarHBondContact O-CE 3.27Å; A163-M167 WeakPolarHBondContact O-CG 2.96Å; A163-M167 PolarHBondContact O-N 2.9Å; A163-L196 HydrophobicContact CB-CD2 3.95Å; A163-L199 HydrophobicContact CB-CD2 3.87Å
164	Y	98.9	Very high	98.4	Very high	6 Å²	6	19.6 Å²	19.6	2%	0.024	9%	0.085	C	C	.	.	H	α-helix	trans	-57.4	-47.8	173.9	164.6	-91.1	0	0	0	112	I61 A130 I133 D134 L137 M160 V161 V162 M166 M167 R168 H169	I61-Y164 HydrophobicContact CD1-CD1 3.87Å; I61-Y164 HydrophobicContact CD1-CE1 3.42Å; I61-Y164 VanDerWaalsContact CD1-CE1 3.42Å; A130-Y164 HydrophobicContact CB-CD2 3.91Å; I133-Y164 HydrophobicContact CB-CD2 3.78Å; I133-Y164 HydrophobicContact CB-CE2 3.88Å; I133-Y164 HydrophobicContact CB-CG 4.32Å; I133-Y164 HydrophobicContact CD1-CD2 4.13Å; I133-Y164 HydrophobicContact CD1-CG 3.92Å; I133-Y164 HydrophobicContact CG2-CD1 4.12Å; I133-Y164 HydrophobicContact CG2-CD2 3.71Å; I133-Y164 HydrophobicContact CG2-CE1 3.96Å; I133-Y164 HydrophobicContact CG2-CE2 3.47Å; I133-Y164 VanDerWaalsContact CG2-CE2 3.47Å; I133-Y164 HydrophobicContact CG2-CG 4.02Å; D134-Y164 WeakPolarHBondContact OD1-CE2 3.41Å; D134-Y164 PolarHBondContact OD1-OH 3.01Å; L137-Y164 VanDerWaalsContact CD1-OH 3.26Å; L137-Y164 WeakPolarHBondContact CD1-OH 3.48Å; M160-Y164 PolarHBondContact O-N 3.36Å; V161-Y164 WeakPolarHBondContact O-CB 3.15Å; V161-Y164 PolarHBondContact O-N 3.05Å; V162-Y164 VanDerWaalsContact C-N 3.34Å; V162-Y164 PolarHBondContact O-N 3.16Å; Y164-M166 VanDerWaalsContact C-N 3.28Å; Y164-M166 PolarHBondContact O-N 3.13Å; Y164-M167 PolarHBondContact O-N 3.12Å; Y164-R168 HydrophobicContact CD2-CB 4.17Å; Y164-R168 HydrophobicContact CD2-CG 3.71Å; Y164-R168 HydrophobicContact CE2-CB 3.82Å; Y164-R168 HydrophobicContact CE2-CG 3.61Å; Y164-R168 WeakPolarHBondContact O-CB 3.49Å; Y164-R168 PolarHBondContact O-N 2.85Å; Y164-H169 AromaticContact CE1-CD2 3.49Å; Y164-H169 VanDerWaalsContact CE1-CD2 3.49Å; Y164-H169 WeakPolarHBondContact CE1-CD2 3.42Å; Y164-H169 AromaticContact CE1-NE2 3.45Å; Y164-H169 WeakPolarHBondContact CE1-NE2 3.38Å; Y164-H169 AromaticContact CZ-CD2 3.89Å; Y164-H169 AromaticContact CZ-NE2 3.59Å; Y164-H169 PolarHBondContact OH-NE2 3.45Å
165	L	98.9	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.7	-37.9	177.8	-67.8	-179.3	0	0	0	111.8	F58 V161 V162 A163 H169 K170 M171 A176 T179 V180	F58-L165 HydrophobicContact CB-CD2 4.37Å; F58-L165 HydrophobicContact CD1-CD2 3.93Å; F58-L165 HydrophobicContact CD2-CD1 4.37Å; F58-L165 HydrophobicContact CD2-CD2 3.66Å; F58-L165 HydrophobicContact CE1-CD2 4.05Å; F58-L165 HydrophobicContact CE2-CD2 3.78Å; F58-L165 HydrophobicContact CG-CD2 3.72Å; F58-L165 HydrophobicContact CZ-CD2 3.95Å; V161-L165 WeakPolarHBondContact O-CG 3.39Å; V161-L165 PolarHBondContact O-N 2.84Å; V162-L165 PolarHBondContact O-N 3.43Å; A163-L165 PolarHBondContact O-N 3.48Å; L165-H169 HydrophobicContact CD2-CB 4.5Å; L165-H169 CarbonylContact O-C 3.53Å; L165-H169 VanDerWaalsContact O-C 3.31Å; L165-H169 VanDerWaalsContact O-CA 3.25Å; L165-H169 WeakPolarHBondContact O-CA 3.43Å; L165-H169 VanDerWaalsContact O-CB 3.24Å; L165-H169 WeakPolarHBondContact O-CB 3.49Å; L165-H169 PolarHBondContact O-N 2.97Å; L165-K170 PolarHBondContact O-N 3.32Å; L165-M171 HydrophobicContact CB-SD 4.02Å; L165-M171 HydrophobicContact CD1-SD 4.32Å; L165-M171 PolarHBondContact O-N 2.82Å; L165-A176 HydrophobicContact CB-CB 3.97Å; L165-T179 HydrophobicContact CD1-CG2 4.17Å; L165-V180 HydrophobicContact CD1-CG2 3.84Å
166	M	98.6	Very high	98.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-64.1	-48.7	175.7	-63.9	167.4	65.8	0	0	111.9	V162 A163 Y164 K170 M171 A173 A176 L196 L199 N200 L203	V162-M166 HydrophobicContact CG1-SD 4.08Å; V162-M166 VanDerWaalsContact O-CG 3.29Å; V162-M166 WeakPolarHBondContact O-CG 3.09Å; V162-M166 PolarHBondContact O-N 2.85Å; A163-M166 PolarHBondContact O-N 3.21Å; Y164-M166 VanDerWaalsContact C-N 3.28Å; Y164-M166 PolarHBondContact O-N 3.13Å; M166-K170 VanDerWaalsContact O-CA 3.27Å; M166-K170 WeakPolarHBondContact O-CA 3.37Å; M166-K170 PolarHBondContact O-N 2.82Å; M166-M171 WeakPolarHBondContact CA-O 2.95Å; M166-M171 WeakPolarHBondContact CB-O 3.39Å; M166-M171 WeakPolarHBondContact CG-O 3.12Å; M166-A173 HydrophobicContact CE-CB 3.77Å; M166-A173 HydrophobicContact SD-CB 4Å; M166-A176 HydrophobicContact CG-CB 3.65Å; M166-L196 WeakPolarHBondContact CE-O 3.44Å; M166-L196 HydrophobicContact SD-CD2 3.93Å; M166-L199 HydrophobicContact CB-CD2 4.26Å; M166-L199 HydrophobicContact CE-CB 4.07Å; M166-L199 HydrophobicContact CE-CD2 3.9Å; M166-L199 HydrophobicContact CE-CG 3.84Å; M166-L199 HydrophobicContact SD-CD2 3.98Å; M166-N200 HydrophobicContact CE-CB 3.7Å; M166-L203 HydrophobicContact CB-CD1 3.85Å; M166-L203 HydrophobicContact CE-CD1 4.41Å
167	M	98.6	Very high	98.3	Very high	26 Å²	26	18.1 Å²	18.1	13%	0.128	8%	0.081	C	C	.	.	H	α-helix	trans	-76	-38.4	-174.3	-66.1	-177	-64.4	0	0	113.9	F126 A130 A163 Y164 L199 L203	F126-M167 HydrophobicContact CB-CE 3.81Å; F126-M167 HydrophobicContact CB-SD 4.23Å; F126-M167 WeakPolarHBondContact O-CE 3.31Å; A130-M167 HydrophobicContact CB-CE 3.45Å; A130-M167 VanDerWaalsContact CB-CE 3.45Å; A163-M167 HydrophobicContact CB-CE 4.3Å; A163-M167 WeakPolarHBondContact O-CE 3.27Å; A163-M167 WeakPolarHBondContact O-CG 2.96Å; A163-M167 PolarHBondContact O-N 2.9Å; Y164-M167 PolarHBondContact O-N 3.12Å; M167-L199 HydrophobicContact CG-CD1 4.17Å; M167-L199 HydrophobicContact CG-CD2 4.15Å; M167-L199 HydrophobicContact SD-CD1 4.32Å; M167-L199 HydrophobicContact SD-CD2 4.5Å; M167-L203 HydrophobicContact CG-CD1 4.31Å
168	R	98.1	Very high	98.3	Very high	75 Å²	75	18.8 Å²	18.8	28%	0.283	9%	0.087	S	C	.	.	H	α-helix	trans	-103	-26.5	-171.8	-57.1	-56.4	-170	-112.7	-1.2	113.2	E127 D131 D134 Y164	E127-R168 IonicContact OE1-NH1 3.93Å; E127-R168 IonicContact OE2-CZ 3.33Å; E127-R168 IonicContact OE2-NH1 3Å; E127-R168 PolarHBondContact OE2-NH1 3.09Å; E127-R168 IonicContact OE2-NH2 2.72Å; E127-R168 PolarHBondContact OE2-NH2 3.4Å; D131-R168 IonicContact OD1-CZ 3.81Å; D131-R168 IonicContact OD1-NH2 2.69Å; D131-R168 PolarHBondContact OD1-NH2 2.63Å; D134-R168 WeakPolarHBondContact OD2-CD 3.14Å; D134-R168 WeakPolarHBondContact OD2-CG 3.48Å; D134-R168 IonicContact OD2-CZ 3.96Å; D134-R168 IonicContact OD2-NE 2.84Å; D134-R168 PolarHBondContact OD2-NE 3.19Å; Y164-R168 HydrophobicContact CD2-CB 4.17Å; Y164-R168 HydrophobicContact CD2-CG 3.71Å; Y164-R168 HydrophobicContact CE2-CB 3.82Å; Y164-R168 HydrophobicContact CE2-CG 3.61Å; Y164-R168 WeakPolarHBondContact O-CB 3.49Å; Y164-R168 PolarHBondContact O-N 2.85Å
169	H	97.1	Very high	98.3	Very high	54 Å²	54	19.5 Å²	19.5	25%	0.25	9%	0.091	C	C	.	.	H	α-helix	trans	-109.4	5.3	176.7	-64.3	-86.3	0	0	0	113.7	F58 Y164 L165 M171 N210	F58-H169 AromaticContact CE1-CE1 3.43Å; F58-H169 VanDerWaalsContact CE1-CE1 3.43Å; F58-H169 WeakPolarHBondContact CE1-CE1 3.36Å; F58-H169 AromaticContact CE1-ND1 3.97Å; F58-H169 AromaticContact CE1-NE2 3.46Å; F58-H169 WeakPolarHBondContact CE1-NE2 3.29Å; F58-H169 AromaticContact CZ-CE1 3.58Å; F58-H169 AromaticContact CZ-CG 3.95Å; F58-H169 AromaticContact CZ-ND1 3.62Å; F58-H169 AromaticContact CZ-NE2 3.86Å; Y164-H169 AromaticContact CE1-CD2 3.49Å; Y164-H169 VanDerWaalsContact CE1-CD2 3.49Å; Y164-H169 WeakPolarHBondContact CE1-CD2 3.42Å; Y164-H169 AromaticContact CE1-NE2 3.45Å; Y164-H169 WeakPolarHBondContact CE1-NE2 3.38Å; Y164-H169 AromaticContact CZ-CD2 3.89Å; Y164-H169 AromaticContact CZ-NE2 3.59Å; Y164-H169 PolarHBondContact OH-NE2 3.45Å; L165-H169 HydrophobicContact CD2-CB 4.5Å; L165-H169 CarbonylContact O-C 3.53Å; L165-H169 VanDerWaalsContact O-C 3.31Å; L165-H169 VanDerWaalsContact O-CA 3.25Å; L165-H169 WeakPolarHBondContact O-CA 3.43Å; L165-H169 VanDerWaalsContact O-CB 3.24Å; L165-H169 WeakPolarHBondContact O-CB 3.49Å; L165-H169 PolarHBondContact O-N 2.97Å; H169-M171 HydrophobicContact CB-CE 4.24Å; H169-M171 HydrophobicContact CB-CG 4.34Å; H169-M171 PolarHBondContact O-N 3.06Å; H169-N210 PolarHBondContact O-ND2 2.92Å
170	K	97.3	Very high	98.3	Very high	110 Å²	110	19.5 Å²	19.5	48%	0.478	9%	0.091	S	C	.	.			trans	58.4	29.2	172.8	-53.5	-173.3	178.2	-175.5	0	113.5	L165 M166 K208 N210	L165-K170 PolarHBondContact O-N 3.32Å; M166-K170 VanDerWaalsContact O-CA 3.27Å; M166-K170 WeakPolarHBondContact O-CA 3.37Å; M166-K170 PolarHBondContact O-N 2.82Å; K170-K208 VanDerWaalsContact CB-O 3.23Å; K170-K208 WeakPolarHBondContact CB-O 3.43Å; K170-K208 WeakPolarHBondContact CD-O 3.43Å; K170-K208 WeakPolarHBondContact CG-O 3.45Å; K170-N210 WeakPolarHBondContact CB-OD1 3.35Å; K170-N210 WeakPolarHBondContact CD-OD1 3.37Å; K170-N210 PolarHBondContact O-N 3.45Å; K170-N210 PolarHBondContact O-ND2 3.46Å
171	M	97.4	Very high	98.2	Very high	19 Å²	19	21.6 Å²	21.6	9%	0.094	10%	0.099	C	C	.	.			trans	-82.2	140.5	175.8	-65.1	180	179.7	0	0	109.7	F58 L165 M166 H169 T175 A176 L209	F58-M171 HydrophobicContact CE2-CE 4.03Å; L165-M171 HydrophobicContact CB-SD 4.02Å; L165-M171 HydrophobicContact CD1-SD 4.32Å; L165-M171 PolarHBondContact O-N 2.82Å; M166-M171 WeakPolarHBondContact CA-O 2.95Å; M166-M171 WeakPolarHBondContact CB-O 3.39Å; M166-M171 WeakPolarHBondContact CG-O 3.12Å; H169-M171 HydrophobicContact CB-CE 4.24Å; H169-M171 HydrophobicContact CB-CG 4.34Å; H169-M171 PolarHBondContact O-N 3.06Å; M171-T175 HydrophobicContact CB-CG2 4.15Å; M171-T175 HydrophobicContact CG-CG2 4.08Å; M171-T175 HydrophobicContact SD-CG2 4.23Å; M171-A176 HydrophobicContact CB-CB 3.9Å; M171-A176 HydrophobicContact SD-CB 4.47Å; M171-L209 WeakPolarHBondContact O-CD2 3.26Å
172	D	97.3	Very high	98.2	Very high	41 Å²	41	27.9 Å²	27.9	22%	0.219	13%	0.128	C	C	.	.			trans	-68	164.9	164.8	69.3	79.4	0	0	0	110.7	R174 T175 A176 N200 L209	D172-R174 VanDerWaalsContact C-N 3.3Å; D172-R174 PolarHBondContact O-N 3.29Å; D172-R174 WeakPolarHBondContact OD1-CA 3.36Å; D172-R174 VanDerWaalsContact OD1-CB 3.26Å; D172-R174 WeakPolarHBondContact OD1-CB 3.49Å; D172-R174 PolarHBondContact OD1-N 2.98Å; D172-T175 PolarHBondContact O-N 2.94Å; D172-T175 PolarHBondContact OD1-N 2.86Å; D172-T175 PolarHBondContact OD1-OG1 2.92Å; D172-T175 WeakPolarHBondContact OD2-CB 3.32Å; D172-T175 PolarHBondContact OD2-OG1 3.13Å; D172-A176 WeakPolarHBondContact O-CB 3.14Å; D172-A176 PolarHBondContact O-N 3.2Å; D172-N200 VanDerWaalsContact CA-OD1 3.29Å; D172-N200 WeakPolarHBondContact CA-OD1 3.31Å; D172-N200 WeakPolarHBondContact CB-OD1 3.45Å; D172-L209 HydrophobicContact CB-CD1 3.9Å
173	A	98	Very high	98.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-37	-177	0	0	0	0	0	113.4	V31 L36 M166 L177 N200	V31-A173 HydrophobicContact CG1-CB 4.12Å; L36-A173 HydrophobicContact CD2-CB 4.39Å; M166-A173 HydrophobicContact CE-CB 3.77Å; M166-A173 HydrophobicContact SD-CB 4Å; A173-L177 WeakPolarHBondContact O-CB 3.4Å; A173-L177 PolarHBondContact O-N 3.39Å; A173-N200 HydrophobicContact CB-CB 3.91Å; A173-N200 PolarHBondContact N-OD1 3.27Å
174	R	97.5	Very high	98.1	Very high	30 Å²	30	32.9 Å²	32.9	11%	0.113	15%	0.15	C	C	.	.	H	α-helix	trans	-66.8	-48.9	178.5	-64.5	177	-80.2	-132.1	3.5	109.8	I24 A27 V31 E35 L36 L39 D172 L177 A178	I24-R174 HydrophobicContact CG2-CB 4.06Å; A27-R174 PolarHBondContact O-NH2 3.19Å; V31-R174 HydrophobicContact CG1-CG 4.03Å; V31-R174 HydrophobicContact CG2-CG 4.33Å; E35-R174 IonicContact OE1-NH1 3.77Å; E35-R174 IonicContact OE2-CZ 3.81Å; E35-R174 IonicContact OE2-NH1 2.77Å; E35-R174 PolarHBondContact OE2-NH1 2.6Å; L36-R174 HydrophobicContact CD2-CG 4.02Å; L39-R174 HydrophobicContact CD1-CB 3.85Å; L39-R174 HydrophobicContact CD1-CG 4.05Å; D172-R174 VanDerWaalsContact C-N 3.3Å; D172-R174 PolarHBondContact O-N 3.29Å; D172-R174 WeakPolarHBondContact OD1-CA 3.36Å; D172-R174 VanDerWaalsContact OD1-CB 3.26Å; D172-R174 WeakPolarHBondContact OD1-CB 3.49Å; D172-R174 PolarHBondContact OD1-N 2.98Å; R174-L177 PolarHBondContact O-N 3.05Å; R174-A178 VanDerWaalsContact O-CB 3.23Å; R174-A178 WeakPolarHBondContact O-CB 3.44Å; R174-A178 PolarHBondContact O-N 3.2Å
175	T	97.7	Very high	98.1	Very high	18 Å²	18	34.5 Å²	34.5	11%	0.11	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-47.3	178.6	-62.3	0	0	0	0	112.5	P20 M171 D172 T179	P20-T175 HydrophobicContact CB-CG2 3.49Å; P20-T175 VanDerWaalsContact CB-CG2 3.49Å; P20-T175 HydrophobicContact CG-CG2 4.29Å; M171-T175 HydrophobicContact CB-CG2 4.15Å; M171-T175 HydrophobicContact CG-CG2 4.08Å; M171-T175 HydrophobicContact SD-CG2 4.23Å; D172-T175 PolarHBondContact O-N 2.94Å; D172-T175 PolarHBondContact OD1-N 2.86Å; D172-T175 PolarHBondContact OD1-OG1 2.92Å; D172-T175 WeakPolarHBondContact OD2-CB 3.32Å; D172-T175 PolarHBondContact OD2-OG1 3.13Å; T175-T179 WeakPolarHBondContact O-CB 3.35Å; T175-T179 PolarHBondContact O-N 2.96Å; T175-T179 PolarHBondContact O-OG1 3.12Å
176	A	98.6	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-44.7	179.7	0	0	0	0	0	111.8	V162 L165 M166 M171 D172 T179 V180	V162-A176 HydrophobicContact CG1-CB 3.79Å; L165-A176 HydrophobicContact CB-CB 3.97Å; M166-A176 HydrophobicContact CG-CB 3.65Å; M171-A176 HydrophobicContact CB-CB 3.9Å; M171-A176 HydrophobicContact SD-CB 4.47Å; D172-A176 WeakPolarHBondContact O-CB 3.14Å; D172-A176 PolarHBondContact O-N 3.2Å; A176-T179 PolarHBondContact O-N 3.09Å; A176-V180 PolarHBondContact O-N 3.11Å
177	L	98.7	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-46.6	178.8	-170.5	68	0	0	0	111.4	L36 L40 V162 A173 R174 T179 V180 R181 I186 P188 L193	L36-L177 HydrophobicContact CB-CD2 3.73Å; L36-L177 HydrophobicContact CD1-CD2 4.45Å; L36-L177 HydrophobicContact CD2-CD2 3.82Å; L36-L177 HydrophobicContact CG-CD2 4.19Å; L40-L177 HydrophobicContact CD1-CD2 4.2Å; L40-L177 HydrophobicContact CD2-CD1 4.01Å; L40-L177 HydrophobicContact CD2-CD2 4.02Å; L40-L177 HydrophobicContact CD2-CG 3.96Å; L40-L177 HydrophobicContact CG-CD2 3.98Å; L40-L177 HydrophobicContact CG-CG 4.47Å; V162-L177 HydrophobicContact CG1-CB 4.38Å; V162-L177 HydrophobicContact CG2-CD1 3.9Å; A173-L177 WeakPolarHBondContact O-CB 3.4Å; A173-L177 PolarHBondContact O-N 3.39Å; R174-L177 PolarHBondContact O-N 3.05Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 3.27Å; L177-V180 PolarHBondContact O-N 3.05Å; L177-R181 VanDerWaalsContact O-CB 3.27Å; L177-R181 WeakPolarHBondContact O-CB 3.11Å; L177-R181 PolarHBondContact O-N 3.46Å; L177-I186 HydrophobicContact CD1-CD1 3.81Å; L177-P188 HydrophobicContact CD1-CG 4.45Å; L177-L193 HydrophobicContact CD2-CD2 4.29Å
178	A	98.3	Very high	98.1	Very high	15 Å²	15	33.9 Å²	33.9	12%	0.124	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-40.3	177.5	0	0	0	0	0	112.1	I24 R174 V180 R181 Q182	I24-A178 HydrophobicContact CD1-CB 3.8Å; I24-A178 HydrophobicContact CG1-CB 4.5Å; R174-A178 VanDerWaalsContact O-CB 3.23Å; R174-A178 WeakPolarHBondContact O-CB 3.44Å; R174-A178 PolarHBondContact O-N 3.2Å; A178-V180 VanDerWaalsContact C-N 3.33Å; A178-V180 PolarHBondContact O-N 3.17Å; A178-R181 PolarHBondContact O-N 3.38Å; A178-Q182 WeakPolarHBondContact O-CB 3.36Å; A178-Q182 PolarHBondContact O-N 3.11Å
179	T	98.5	Very high	98.1	Very high	14 Å²	14	31.7 Å²	31.7	9%	0.086	15%	0.151	C	C	.	.	H	α-helix	trans	-56.9	-46.3	176.5	-62.8	0	0	0	0	111.4	F58 L165 T175 A176 L177	F58-T179 HydrophobicContact CD2-CG2 4.23Å; L165-T179 HydrophobicContact CD1-CG2 4.17Å; T175-T179 WeakPolarHBondContact O-CB 3.35Å; T175-T179 PolarHBondContact O-N 2.96Å; T175-T179 PolarHBondContact O-OG1 3.12Å; A176-T179 PolarHBondContact O-N 3.09Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 3.27Å
180	V	98.8	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-71.8	-45.6	178.1	-177.9	0	0	0	0	111	V57 I63 V161 V162 L165 A176 L177 A178 Q182 K183 R184 I186	V57-V180 HydrophobicContact CB-CG1 4.07Å; V57-V180 HydrophobicContact CG1-CG1 4.07Å; V57-V180 HydrophobicContact CG2-CG1 4.27Å; I63-V180 HydrophobicContact CD1-CG1 3.54Å; V161-V180 HydrophobicContact CG1-CG2 4.05Å; V162-V180 HydrophobicContact CG2-CB 4.2Å; V162-V180 HydrophobicContact CG2-CG2 3.8Å; L165-V180 HydrophobicContact CD1-CG2 3.84Å; A176-V180 PolarHBondContact O-N 3.11Å; L177-V180 PolarHBondContact O-N 3.05Å; A178-V180 VanDerWaalsContact C-N 3.33Å; A178-V180 PolarHBondContact O-N 3.17Å; V180-Q182 VanDerWaalsContact C-N 3.26Å; V180-Q182 PolarHBondContact O-N 3.44Å; V180-K183 PolarHBondContact O-N 3.28Å; V180-R184 PolarHBondContact O-N 2.59Å; V180-R184 VanDerWaalsContact O-N 3.13Å; V180-I186 HydrophobicContact CB-CD1 4.08Å; V180-I186 HydrophobicContact CG1-CD1 3.82Å; V180-I186 HydrophobicContact CG1-CG2 4.31Å
181	R	98.3	Very high	98.3	Very high	45 Å²	45	27 Å²	27	17%	0.17	14%	0.135	C	C	.	.	H	α-helix	trans	-60.9	-31.8	-177.5	179.1	60.1	-172.3	88.6	0.8	113.3	L40 L177 A178 K183 R184 I186	L40-R181 HydrophobicContact CD2-CB 4.31Å; L40-R181 HydrophobicContact CD2-CG 4.15Å; L40-R181 PolarHBondContact O-NE 2.79Å; L40-R181 PolarHBondContact O-NH2 3.12Å; L177-R181 VanDerWaalsContact O-CB 3.27Å; L177-R181 WeakPolarHBondContact O-CB 3.11Å; L177-R181 PolarHBondContact O-N 3.46Å; A178-R181 PolarHBondContact O-N 3.38Å; R181-K183 PolarHBondContact O-N 2.8Å; R181-R184 CarbonylContact C-O 3.48Å; R181-R184 WeakPolarHBondContact CA-O 3.48Å; R181-I186 HydrophobicContact CB-CD1 4.23Å; R181-I186 HydrophobicContact CB-CG1 4.15Å
182	Q	97.8	Very high	98.4	Very high	131 Å²	131	26 Å²	26	61%	0.612	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.2	176.1	-168.7	-174	51	0	0	112.6	A178 V180	A178-Q182 WeakPolarHBondContact O-CB 3.36Å; A178-Q182 PolarHBondContact O-N 3.11Å; V180-Q182 VanDerWaalsContact C-N 3.26Å; V180-Q182 PolarHBondContact O-N 3.44Å
183	K	98.4	Very high	98.4	Very high	102 Å²	102	24.1 Å²	24.1	44%	0.443	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-20.5	-175.2	-60.2	-60.8	-176.8	-176.4	0	113.5	N55 V57 V180 R181	N55-K183 VanDerWaalsContact CB-O 3.31Å; N55-K183 WeakPolarHBondContact CB-O 3.47Å; N55-K183 VanDerWaalsContact CG-O 3.22Å; N55-K183 PolarHBondContact ND2-O 3.49Å; N55-K183 VanDerWaalsContact ND2-O 3.12Å; V57-K183 HydrophobicContact CB-CB 4.15Å; V57-K183 HydrophobicContact CG1-CB 4Å; V180-K183 PolarHBondContact O-N 3.28Å; R181-K183 PolarHBondContact O-N 2.8Å
184	R	98.4	Very high	98.5	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.011	14%	0.141	C	C	.	.	S	Bend	trans	-151.9	139.5	-179.1	-176.7	171.7	178.5	76.7	1.3	110.5	P50 Q52 N55 V57 E152 G153 V180 R181 I186	P50-R184 VanDerWaalsContact CB-NH2 3.26Å; Q52-R184 PolarHBondContact O-NH1 3.05Å; N55-R184 HydrophobicContact CB-CB 4.04Å; N55-R184 WeakPolarHBondContact OD1-CG 3.41Å; N55-R184 PolarHBondContact OD1-NH1 3.04Å; V57-R184 HydrophobicContact CG1-CB 3.99Å; E152-R184 PolarHBondContact O-NH2 2.95Å; G153-R184 PolarHBondContact O-NE 2.58Å; V180-R184 PolarHBondContact O-N 2.59Å; V180-R184 VanDerWaalsContact O-N 3.13Å; R181-R184 CarbonylContact C-O 3.48Å; R181-R184 WeakPolarHBondContact CA-O 3.48Å; R184-I186 HydrophobicContact CB-CG2 4.23Å; R184-I186 HydrophobicContact CG-CG2 4.03Å; R184-I186 PolarHBondContact O-N 3.33Å
185	E	98.6	Very high	98.5	Very high	40 Å²	40	27.4 Å²	27.4	19%	0.187	14%	0.139	C	C	.	.			trans	-66.4	121	167.8	-54.1	77.5	-169.9	0	0	109.8	N48 P50 T51	N48-E185 HydrophobicContact CB-CB 4.33Å; N48-E185 HydrophobicContact CB-CG 3.86Å; N48-E185 WeakPolarHBondContact O-CB 3.37Å; P50-E185 WeakPolarHBondContact CA-OE2 3.28Å; P50-E185 WeakPolarHBondContact CG-O 3.32Å; T51-E185 PolarHBondContact N-OE2 3.03Å
186	I	98.7	Very high	98.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.134	C	C	.	.			trans	-135.1	156.1	-177.1	61.2	166.9	0	0	0	108.7	L40 Y154 P158 L177 V180 R181 R184	L40-I186 HydrophobicContact CD2-CD1 4.05Å; L40-I186 HydrophobicContact CD2-CG1 3.71Å; Y154-I186 VanDerWaalsContact CE2-C 3.41Å; P158-I186 HydrophobicContact CB-CB 3.89Å; P158-I186 HydrophobicContact CB-CD1 3.94Å; P158-I186 HydrophobicContact CB-CG2 3.74Å; P158-I186 HydrophobicContact CG-CB 3.85Å; P158-I186 HydrophobicContact CG-CG2 3.37Å; L177-I186 HydrophobicContact CD1-CD1 3.81Å; V180-I186 HydrophobicContact CB-CD1 4.08Å; V180-I186 HydrophobicContact CG1-CD1 3.82Å; V180-I186 HydrophobicContact CG1-CG2 4.31Å; R181-I186 HydrophobicContact CB-CD1 4.23Å; R181-I186 HydrophobicContact CB-CG1 4.15Å; R184-I186 HydrophobicContact CB-CG2 4.23Å; R184-I186 HydrophobicContact CG-CG2 4.03Å; R184-I186 PolarHBondContact O-N 3.33Å
187	G	98.5	Very high	98.6	Very high	9 Å²	9	26.8 Å²	26.8	9%	0.093	14%	0.136	C	C	.	.			trans	-157.3	76.4	174.2	0	0	0	0	0	110.4	Y154 S155	Y154-G187 WeakPolarHBondContact CD1-O 3.25Å; Y154-G187 VanDerWaalsContact CE1-O 3.27Å; Y154-G187 WeakPolarHBondContact CE1-O 3.38Å; Y154-G187 VanDerWaalsContact CE2-N 3.32Å; Y154-G187 VanDerWaalsContact CZ-CA 3.46Å; Y154-G187 CarbonylContact O-C 3.52Å; Y154-G187 PolarHBondContact O-N 3.25Å; S155-G187 WeakPolarHBondContact CB-O 3.37Å
188	P	98.8	Very high	98.6	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.032	16%	0.158	C	C	.	.			trans	-49.1	140.1	164.2	-26.6	36.6	0	0	0	111.3	S155 P158 T159 L177 F192 L193	S155-P188 WeakPolarHBondContact OG-CA 3.27Å; P158-P188 HydrophobicContact CB-CG 4.39Å; T159-P188 WeakPolarHBondContact OG1-CB 3.44Å; L177-P188 HydrophobicContact CD1-CG 4.45Å; P188-F192 HydrophobicContact CB-CB 4.18Å; P188-L193 HydrophobicContact CB-CD2 3.73Å; P188-L193 HydrophobicContact CB-CG 4.09Å; P188-L193 HydrophobicContact CG-CD2 4.11Å
189	N	98.8	Very high	98.6	Very high	28 Å²	28	31.6 Å²	31.6	15%	0.15	16%	0.156	C	C	.	.			trans	-66.6	157.7	173.4	73.5	68.2	0	0	0	111.2	D116 K118 S155 G191 F192 L193	D116-N189 PolarHBondContact OD1-ND2 3Å; K118-N189 WeakPolarHBondContact CA-OD1 3.46Å; K118-N189 HydrophobicContact CG-CB 4.41Å; S155-N189 PolarHBondContact OG-N 3.39Å; N189-G191 PolarHBondContact O-N 3.17Å; N189-G191 WeakPolarHBondContact OD1-CA 3.43Å; N189-G191 PolarHBondContact OD1-N 3.22Å; N189-F192 WeakPolarHBondContact ND2-CD2 3.46Å; N189-F192 WeakPolarHBondContact ND2-CE2 3.5Å; N189-F192 WeakPolarHBondContact ND2-CZ 3.46Å; N189-F192 WeakPolarHBondContact O-CA 3.21Å; N189-F192 WeakPolarHBondContact O-CB 3.39Å; N189-F192 PolarHBondContact O-N 2.61Å; N189-F192 PolarHBondContact OD1-N 3.27Å; N189-F192 VanDerWaalsContact OD1-N 3.16Å; N189-L193 PolarHBondContact O-N 2.89Å
190	D	98.6	Very high	98.5	Very high	57 Å²	57	31.4 Å²	31.4	31%	0.305	16%	0.155	S	C	.	.	H	α-helix	trans	-55.9	-30.2	-176.4	-61.8	-33.4	0	0	0	114.6	V33 N37 K118 F192 L193 L194	V33-D190 HydrophobicContact CG1-CB 4.08Å; N37-D190 PolarHBondContact ND2-OD1 2.83Å; K118-D190 HydrophobicContact CD-CB 4.25Å; K118-D190 WeakPolarHBondContact CE-OD2 3.33Å; K118-D190 IonicContact NZ-OD2 2.65Å; K118-D190 PolarHBondContact NZ-OD2 3.01Å; D190-F192 VanDerWaalsContact C-N 3.34Å; D190-L193 PolarHBondContact O-N 3.08Å; D190-L194 WeakPolarHBondContact O-CB 3.12Å; D190-L194 PolarHBondContact O-N 2.99Å
191	G	98.8	Very high	98.4	Very high	8 Å²	8	34.2 Å²	34.2	8%	0.082	17%	0.168	C	C	.	.	H	α-helix	trans	-69.5	-34.2	177.3	0	0	0	0	0	112.2	N189 Q195	N189-G191 PolarHBondContact O-N 3.17Å; N189-G191 WeakPolarHBondContact OD1-CA 3.43Å; N189-G191 PolarHBondContact OD1-N 3.22Å; G191-Q195 VanDerWaalsContact O-CG 3.26Å; G191-Q195 WeakPolarHBondContact O-CG 3.32Å; G191-Q195 PolarHBondContact O-N 2.9Å; G191-Q195 VanDerWaalsContact O-N 3.12Å; G191-Q195 PolarHBondContact O-NE2 3.5Å; G191-Q195 VanDerWaalsContact O-NE2 3.14Å
192	F	98.9	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-74	-37.9	172.5	-66.7	-13.7	0	0	0	112.3	N115 F120 L122 S155 R156 T159 P188 N189 D190 L194 Q195 L196	N115-F192 WeakPolarHBondContact O-CZ 3.41Å; F120-F192 HydrophobicContact CB-CE1 4.27Å; F120-F192 HydrophobicContact CD1-CE1 4.31Å; F120-F192 WeakPolarHBondContact O-CE1 3.1Å; L122-F192 HydrophobicContact CB-CD1 3.98Å; L122-F192 HydrophobicContact CB-CE1 3.7Å; L122-F192 HydrophobicContact CB-CZ 4.27Å; L122-F192 HydrophobicContact CD2-CD1 4.38Å; L122-F192 HydrophobicContact CD2-CD2 4.31Å; L122-F192 HydrophobicContact CD2-CE1 4.22Å; L122-F192 HydrophobicContact CD2-CE2 4.16Å; L122-F192 HydrophobicContact CD2-CG 4.43Å; L122-F192 HydrophobicContact CD2-CZ 4.1Å; S155-F192 WeakPolarHBondContact OG-CD2 3.46Å; R156-F192 HydrophobicContact CB-CE2 4.37Å; R156-F192 HydrophobicContact CG-CE2 3.57Å; R156-F192 HydrophobicContact CG-CZ 3.98Å; T159-F192 HydrophobicContact CG2-CB 3.8Å; T159-F192 HydrophobicContact CG2-CG 4.23Å; P188-F192 HydrophobicContact CB-CB 4.18Å; N189-F192 WeakPolarHBondContact ND2-CD2 3.46Å; N189-F192 WeakPolarHBondContact ND2-CE2 3.5Å; N189-F192 WeakPolarHBondContact ND2-CZ 3.46Å; N189-F192 WeakPolarHBondContact O-CA 3.21Å; N189-F192 WeakPolarHBondContact O-CB 3.39Å; N189-F192 PolarHBondContact O-N 2.61Å; N189-F192 PolarHBondContact OD1-N 3.27Å; N189-F192 VanDerWaalsContact OD1-N 3.16Å; D190-F192 VanDerWaalsContact C-N 3.34Å; F192-L194 VanDerWaalsContact C-N 3.32Å; F192-Q195 WeakPolarHBondContact O-CB 3.34Å; F192-Q195 PolarHBondContact O-N 3.1Å; F192-L196 WeakPolarHBondContact O-CG 3.38Å; F192-L196 PolarHBondContact O-N 3.43Å
193	L	98.9	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-42.5	172.6	-64.5	-179.2	0	0	0	111.2	V33 L36 N37 L40 L177 P188 N189 D190 Q195 L196 C197	V33-L193 HydrophobicContact CG1-CB 4.03Å; V33-L193 HydrophobicContact CG1-CD1 4.17Å; V33-L193 HydrophobicContact CG2-CB 4.25Å; L36-L193 HydrophobicContact CB-CD1 4.28Å; L36-L193 HydrophobicContact CB-CD2 4.14Å; L36-L193 HydrophobicContact CD1-CB 4.23Å; L36-L193 HydrophobicContact CD1-CD2 4.1Å; N37-L193 WeakPolarHBondContact OD1-CD1 3.3Å; L40-L193 HydrophobicContact CD1-CD1 4.14Å; L40-L193 HydrophobicContact CD1-CD2 4.23Å; L177-L193 HydrophobicContact CD2-CD2 4.29Å; P188-L193 HydrophobicContact CB-CD2 3.73Å; P188-L193 HydrophobicContact CB-CG 4.09Å; P188-L193 HydrophobicContact CG-CD2 4.11Å; N189-L193 PolarHBondContact O-N 2.89Å; D190-L193 PolarHBondContact O-N 3.08Å; L193-Q195 VanDerWaalsContact C-N 3.32Å; L193-Q195 PolarHBondContact O-N 3.49Å; L193-L196 HydrophobicContact CD2-CD1 4.37Å; L193-L196 WeakPolarHBondContact O-CB 3.45Å; L193-L196 PolarHBondContact O-N 3.24Å; L193-L196 VanDerWaalsContact O-N 3.1Å; L193-C197 PolarHBondContact O-N 3.02Å; L193-C197 PolarHBondContact O-SG 3.05Å; L193-C197 VanDerWaalsContact O-SG 3.35Å
194	L	98.7	Very high	98.1	Very high	85 Å²	85	30.3 Å²	30.3	45%	0.445	16%	0.157	S	C	.	.	H	α-helix	trans	-59.9	-42.1	174.3	-179.6	62.2	0	0	0	111.8	V33 D190 F192 L196 C197 Q198	V33-L194 HydrophobicContact CG2-CB 3.89Å; V33-L194 HydrophobicContact CG2-CD1 4.28Å; D190-L194 WeakPolarHBondContact O-CB 3.12Å; D190-L194 PolarHBondContact O-N 2.99Å; F192-L194 VanDerWaalsContact C-N 3.32Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.21Å; L194-C197 WeakPolarHBondContact O-CB 3.24Å; L194-C197 PolarHBondContact O-N 2.96Å; L194-Q198 VanDerWaalsContact O-CG 3.32Å; L194-Q198 WeakPolarHBondContact O-CG 3.14Å; L194-Q198 PolarHBondContact O-N 3.02Å
195	Q	98.8	Very high	97.9	Very high	15 Å²	15	38 Å²	38	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-33.4	175.7	-74	167.5	51.4	0	0	112.5	F120 F126 G191 F192 L193 L199	F120-Q195 PolarHBondContact O-NE2 2.65Å; F126-Q195 HydrophobicContact CZ-CB 4.39Å; G191-Q195 VanDerWaalsContact O-CG 3.26Å; G191-Q195 WeakPolarHBondContact O-CG 3.32Å; G191-Q195 PolarHBondContact O-N 2.9Å; G191-Q195 VanDerWaalsContact O-N 3.12Å; G191-Q195 PolarHBondContact O-NE2 3.5Å; G191-Q195 VanDerWaalsContact O-NE2 3.14Å; F192-Q195 WeakPolarHBondContact O-CB 3.34Å; F192-Q195 PolarHBondContact O-N 3.1Å; L193-Q195 VanDerWaalsContact C-N 3.32Å; L193-Q195 PolarHBondContact O-N 3.49Å; Q195-L199 WeakPolarHBondContact O-CB 3.29Å; Q195-L199 PolarHBondContact O-N 3.03Å
196	L	98.8	Very high	97.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.2	-39.6	172.5	-67	172.3	0	0	0	112	F126 T159 V162 A163 M166 F192 L193 L194 Q198 L199 N200	F126-L196 HydrophobicContact CE2-CD2 4.29Å; F126-L196 HydrophobicContact CZ-CD2 4.03Å; T159-L196 HydrophobicContact CG2-CD1 4.15Å; T159-L196 HydrophobicContact CG2-CD2 4.17Å; T159-L196 HydrophobicContact CG2-CG 4.09Å; V162-L196 HydrophobicContact CB-CD1 4.21Å; V162-L196 HydrophobicContact CB-CD2 4.39Å; V162-L196 HydrophobicContact CG1-CD1 3.75Å; V162-L196 HydrophobicContact CG1-CD2 3.99Å; V162-L196 HydrophobicContact CG1-CG 4.47Å; A163-L196 HydrophobicContact CB-CD2 3.95Å; M166-L196 WeakPolarHBondContact CE-O 3.44Å; M166-L196 HydrophobicContact SD-CD2 3.93Å; F192-L196 WeakPolarHBondContact O-CG 3.38Å; F192-L196 PolarHBondContact O-N 3.43Å; L193-L196 HydrophobicContact CD2-CD1 4.37Å; L193-L196 WeakPolarHBondContact O-CB 3.45Å; L193-L196 PolarHBondContact O-N 3.24Å; L193-L196 VanDerWaalsContact O-N 3.1Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 3.21Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-Q198 PolarHBondContact O-N 3.41Å; L196-L199 PolarHBondContact O-N 3.1Å; L196-N200 WeakPolarHBondContact O-CB 3.3Å; L196-N200 PolarHBondContact O-N 2.85Å
197	C	98.4	Very high	97.4	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.034	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-47	171.8	-67.2	0	0	0	0	111.3	V31 L193 L194 L199 N200 E201	V31-C197 WeakPolarHBondContact O-CB 3.41Å; V31-C197 PolarHBondContact O-SG 3.31Å; L193-C197 PolarHBondContact O-N 3.02Å; L193-C197 PolarHBondContact O-SG 3.05Å; L193-C197 VanDerWaalsContact O-SG 3.35Å; L194-C197 WeakPolarHBondContact O-CB 3.24Å; L194-C197 PolarHBondContact O-N 2.96Å; C197-L199 PolarHBondContact O-N 3.4Å; C197-N200 WeakPolarHBondContact O-CA 3.27Å; C197-N200 VanDerWaalsContact O-CB 3.28Å; C197-N200 WeakPolarHBondContact O-CB 3.19Å; C197-N200 PolarHBondContact O-N 3.46Å; C197-N200 VanDerWaalsContact O-N 3.09Å; C197-E201 PolarHBondContact O-N 3.41Å
198	Q	98.4	Very high	97.1	Very high	99 Å²	99	48 Å²	48	46%	0.463	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-41.2	177.1	-70.1	169.1	-11.4	0	0	112.2	L194 L196 N200 E201 K202	L194-Q198 VanDerWaalsContact O-CG 3.32Å; L194-Q198 WeakPolarHBondContact O-CG 3.14Å; L194-Q198 PolarHBondContact O-N 3.02Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-Q198 PolarHBondContact O-N 3.41Å; Q198-N200 VanDerWaalsContact C-N 3.32Å; Q198-E201 PolarHBondContact O-N 3.4Å; Q198-K202 WeakPolarHBondContact O-CB 3.33Å; Q198-K202 PolarHBondContact O-N 3.28Å
199	L	98.4	Very high	96.7	Very high	16 Å²	16	49.3 Å²	49.3	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-42.3	172.5	177.9	63.4	0	0	0	111.1	F126 A163 M166 M167 Q195 L196 C197 K202 L203	F126-L199 HydrophobicContact CD2-CD2 3.85Å; F126-L199 HydrophobicContact CE2-CB 4.41Å; F126-L199 HydrophobicContact CE2-CD2 4.01Å; A163-L199 HydrophobicContact CB-CD2 3.87Å; M166-L199 HydrophobicContact CB-CD2 4.26Å; M166-L199 HydrophobicContact CE-CB 4.07Å; M166-L199 HydrophobicContact CE-CD2 3.9Å; M166-L199 HydrophobicContact CE-CG 3.84Å; M166-L199 HydrophobicContact SD-CD2 3.98Å; M167-L199 HydrophobicContact CG-CD1 4.17Å; M167-L199 HydrophobicContact CG-CD2 4.15Å; M167-L199 HydrophobicContact SD-CD1 4.32Å; M167-L199 HydrophobicContact SD-CD2 4.5Å; Q195-L199 WeakPolarHBondContact O-CB 3.29Å; Q195-L199 PolarHBondContact O-N 3.03Å; L196-L199 PolarHBondContact O-N 3.1Å; C197-L199 PolarHBondContact O-N 3.4Å; L199-K202 WeakPolarHBondContact O-CB 3.47Å; L199-K202 PolarHBondContact O-N 3.04Å; L199-L203 HydrophobicContact CD1-CD1 4.06Å; L199-L203 HydrophobicContact CD1-CG 4.07Å; L199-L203 HydrophobicContact CG-CD1 3.95Å; L199-L203 HydrophobicContact CG-CG 4.34Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.47Å; L199-L203 PolarHBondContact O-N 3.19Å
200	N	98.1	Very high	95.8	Very high	11 Å²	11	53 Å²	53	6%	0.059	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-50.9	178.3	-170.6	85.5	0	0	0	111.2	V31 M166 D172 A173 L196 C197 Q198 K202 L203 V204	V31-N200 WeakPolarHBondContact CG2-ND2 3.38Å; M166-N200 HydrophobicContact CE-CB 3.7Å; D172-N200 VanDerWaalsContact CA-OD1 3.29Å; D172-N200 WeakPolarHBondContact CA-OD1 3.31Å; D172-N200 WeakPolarHBondContact CB-OD1 3.45Å; A173-N200 HydrophobicContact CB-CB 3.91Å; A173-N200 PolarHBondContact N-OD1 3.27Å; L196-N200 WeakPolarHBondContact O-CB 3.3Å; L196-N200 PolarHBondContact O-N 2.85Å; C197-N200 WeakPolarHBondContact O-CA 3.27Å; C197-N200 VanDerWaalsContact O-CB 3.28Å; C197-N200 WeakPolarHBondContact O-CB 3.19Å; C197-N200 PolarHBondContact O-N 3.46Å; C197-N200 VanDerWaalsContact O-N 3.09Å; Q198-N200 VanDerWaalsContact C-N 3.32Å; N200-K202 VanDerWaalsContact C-N 3.3Å; N200-K202 PolarHBondContact O-N 3.28Å; N200-L203 PolarHBondContact O-N 2.91Å; N200-V204 WeakPolarHBondContact O-CG2 3.42Å; N200-V204 PolarHBondContact O-N 3.28Å
201	E	96.3	Very high	93.8	Very high	59 Å²	59	53.6 Å²	53.6	28%	0.276	30%	0.297	S	S	.	.	H	α-helix	trans	-56.6	-44	175.9	-73.5	174.8	-135.1	0	0	112.5	C197 Q198 V204 K205	C197-E201 PolarHBondContact O-N 3.41Å; Q198-E201 PolarHBondContact O-N 3.4Å; E201-V204 PolarHBondContact O-N 2.92Å; E201-K205 WeakPolarHBondContact O-CB 3.48Å; E201-K205 VanDerWaalsContact O-CG 3.29Å; E201-K205 WeakPolarHBondContact O-CG 3.32Å; E201-K205 PolarHBondContact O-N 3.43Å; E201-K205 IonicContact OE2-NZ 3.54Å
202	K	97.1	Very high	91.2	Very high	105 Å²	105	60.3 Å²	60.3	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-58.6	-49.9	176.4	178.6	-174.1	172.8	-171.6	0	110.6	Q198 L199 N200 V204 K205 E206	Q198-K202 WeakPolarHBondContact O-CB 3.33Å; Q198-K202 PolarHBondContact O-N 3.28Å; L199-K202 WeakPolarHBondContact O-CB 3.47Å; L199-K202 PolarHBondContact O-N 3.04Å; N200-K202 VanDerWaalsContact C-N 3.3Å; N200-K202 PolarHBondContact O-N 3.28Å; K202-V204 VanDerWaalsContact C-N 3.34Å; K202-V204 PolarHBondContact O-N 2.8Å; K202-K205 PolarHBondContact O-N 3.15Å; K202-E206 WeakPolarHBondContact CE-OE1 3.44Å; K202-E206 WeakPolarHBondContact CG-OE1 3.5Å; K202-E206 WeakPolarHBondContact O-CB 3.37Å; K202-E206 VanDerWaalsContact O-CG 3.3Å; K202-E206 WeakPolarHBondContact O-CG 3.48Å; K202-E206 PolarHBondContact O-N 3.05Å
203	L	95.9	Very high	88.5	Confident	7 Å²	7	67.4 Å²	67.4	4%	0.037	37%	0.369	C	S	.	.	H	α-helix	trans	-67.2	-33.1	-178.8	-66.4	175.3	0	0	0	112.7	M166 M167 L199 N200 E206 G207 K208 L209	M166-L203 HydrophobicContact CB-CD1 3.85Å; M166-L203 HydrophobicContact CE-CD1 4.41Å; M167-L203 HydrophobicContact CG-CD1 4.31Å; L199-L203 HydrophobicContact CD1-CD1 4.06Å; L199-L203 HydrophobicContact CD1-CG 4.07Å; L199-L203 HydrophobicContact CG-CD1 3.95Å; L199-L203 HydrophobicContact CG-CG 4.34Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.47Å; L199-L203 PolarHBondContact O-N 3.19Å; N200-L203 PolarHBondContact O-N 2.91Å; L203-E206 PolarHBondContact O-N 2.93Å; L203-G207 PolarHBondContact O-N 3.41Å; L203-G207 VanDerWaalsContact O-N 3.13Å; L203-K208 HydrophobicContact CB-CB 4.4Å; L203-K208 HydrophobicContact CD2-CB 4.02Å; L203-K208 HydrophobicContact CD2-CD 3.89Å; L203-K208 PolarHBondContact O-N 2.85Å; L203-L209 HydrophobicContact CB-CD1 4.41Å; L203-L209 HydrophobicContact CB-CD2 3.61Å; L203-L209 HydrophobicContact CB-CG 3.85Å; L203-L209 HydrophobicContact CD1-CD2 3.84Å; L203-L209 HydrophobicContact CG-CD2 4.36Å
204	V	94.4	Very high	85.7	Confident	84 Å²	84	70.2 Å²	70.2	51%	0.509	40%	0.398	S	S	.	.	H	α-helix	trans	-62.6	-51	170.7	169.9	0	0	0	0	110.5	N200 E201 K202 E206 G207 L209	N200-V204 WeakPolarHBondContact O-CG2 3.42Å; N200-V204 PolarHBondContact O-N 3.28Å; E201-V204 PolarHBondContact O-N 2.92Å; K202-V204 VanDerWaalsContact C-N 3.34Å; K202-V204 PolarHBondContact O-N 2.8Å; V204-E206 PolarHBondContact O-N 2.85Å; V204-G207 PolarHBondContact O-N 2.77Å; V204-L209 HydrophobicContact CG2-CD1 3.53Å; V204-L209 HydrophobicContact CG2-CG 4.42Å
205	K	94.1	Very high	82.5	Confident	165 Å²	165	74.6 Å²	74.6	72%	0.717	41%	0.414	S	S	*	.	H	α-helix	trans	-59.3	-33.3	178.6	-72.9	166.8	-175.8	161.3	0	112	E201 K202 G207	E201-K205 WeakPolarHBondContact O-CB 3.48Å; E201-K205 VanDerWaalsContact O-CG 3.29Å; E201-K205 WeakPolarHBondContact O-CG 3.32Å; E201-K205 PolarHBondContact O-N 3.43Å; E201-K205 IonicContact OE2-NZ 3.54Å; K202-K205 PolarHBondContact O-N 3.15Å; K205-G207 VanDerWaalsContact C-N 3.34Å
206	E	94.7	Very high	79.3	Confident	87 Å²	87	80.4 Å²	80.4	41%	0.407	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.1	176.6	-67.7	175	-178	0	0	113.9	K202 L203 V204 K208	K202-E206 WeakPolarHBondContact CE-OE1 3.44Å; K202-E206 WeakPolarHBondContact CG-OE1 3.5Å; K202-E206 WeakPolarHBondContact O-CB 3.37Å; K202-E206 VanDerWaalsContact O-CG 3.3Å; K202-E206 WeakPolarHBondContact O-CG 3.48Å; K202-E206 PolarHBondContact O-N 3.05Å; L203-E206 PolarHBondContact O-N 2.93Å; V204-E206 PolarHBondContact O-N 2.85Å; E206-K208 VanDerWaalsContact C-N 3.27Å; E206-K208 HydrophobicContact CB-CD 4.01Å; E206-K208 HydrophobicContact CB-CG 3.92Å; E206-K208 PolarHBondContact O-N 3.25Å; E206-K208 VanDerWaalsContact OE2-CD 3.24Å; E206-K208 WeakPolarHBondContact OE2-CD 3.41Å; E206-K208 WeakPolarHBondContact OE2-CE 3.24Å; E206-K208 IonicContact OE2-NZ 2.67Å; E206-K208 PolarHBondContact OE2-NZ 3.33Å
207	G	93	Very high	76.2	Confident	66 Å²	66	89.8 Å²	89.8	68%	0.68	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	27.6	-177.8	0	0	0	0	0	114	L203 V204 K205	L203-G207 PolarHBondContact O-N 3.41Å; L203-G207 VanDerWaalsContact O-N 3.13Å; V204-G207 PolarHBondContact O-N 2.77Å; K205-G207 VanDerWaalsContact C-N 3.34Å
208	K	91.2	Very high	73.2	Confident	105 Å²	105	96.1 Å²	96.1	46%	0.457	53%	0.53	S	S	.	.			trans	-95.3	-6.6	-172.8	-72.5	-176.6	-177	166.4	0	114.8	K170 L203 E206	K170-K208 VanDerWaalsContact CB-O 3.23Å; K170-K208 WeakPolarHBondContact CB-O 3.43Å; K170-K208 WeakPolarHBondContact CD-O 3.43Å; K170-K208 WeakPolarHBondContact CG-O 3.45Å; L203-K208 HydrophobicContact CB-CB 4.4Å; L203-K208 HydrophobicContact CD2-CB 4.02Å; L203-K208 HydrophobicContact CD2-CD 3.89Å; L203-K208 PolarHBondContact O-N 2.85Å; E206-K208 VanDerWaalsContact C-N 3.27Å; E206-K208 HydrophobicContact CB-CD 4.01Å; E206-K208 HydrophobicContact CB-CG 3.92Å; E206-K208 PolarHBondContact O-N 3.25Å; E206-K208 VanDerWaalsContact OE2-CD 3.24Å; E206-K208 WeakPolarHBondContact OE2-CD 3.41Å; E206-K208 WeakPolarHBondContact OE2-CE 3.24Å; E206-K208 IonicContact OE2-NZ 2.67Å; E206-K208 PolarHBondContact OE2-NZ 3.33Å
209	L	89.8	Confident	70.2	Confident	33 Å²	33	104.4 Å²	104.4	17%	0.173	56%	0.564	C	S	.	*	S	Bend	trans	-88.2	151.4	176.6	-57.3	-172.5	0	0	0	111.2	M171 D172 L203 V204 G211	M171-L209 WeakPolarHBondContact O-CD2 3.26Å; D172-L209 HydrophobicContact CB-CD1 3.9Å; L203-L209 HydrophobicContact CB-CD1 4.41Å; L203-L209 HydrophobicContact CB-CD2 3.61Å; L203-L209 HydrophobicContact CB-CG 3.85Å; L203-L209 HydrophobicContact CD1-CD2 3.84Å; L203-L209 HydrophobicContact CG-CD2 4.36Å; V204-L209 HydrophobicContact CG2-CD1 3.53Å; V204-L209 HydrophobicContact CG2-CG 4.42Å; L209-G211 PolarHBondContact O-N 3.09Å
210	N	81.1	Confident	68.8	Low	105 Å²	105	108.8 Å²	108.8	56%	0.561	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-64.6	119.3	172.6	-67.2	-30.8	0	0	0	108.8	H169 K170	H169-N210 PolarHBondContact O-ND2 2.92Å; K170-N210 WeakPolarHBondContact CB-OD1 3.35Å; K170-N210 WeakPolarHBondContact CD-OD1 3.37Å; K170-N210 PolarHBondContact O-N 3.45Å; K170-N210 PolarHBondContact O-ND2 3.46Å
211	G	56.5	Low	67.2	Low	70 Å²	70	113.9 Å²	113.9	72%	0.722	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-66.9	134.2	170.6	0	0	0	0	0	110.5	L209 V213	L209-G211 PolarHBondContact O-N 3.09Å; G211-V213 PolarHBondContact O-N 2.8Å
212	E	44.3	Very low	65.6	Low	150 Å²	150	117 Å²	117	70%	0.701	64%	0.635	S	S	*	*			trans	7.5	105.3	168.8	-61.6	179.7	168.8	0	0	116.7	G214	E212-G214 VanDerWaalsContact C-N 3.26Å; E212-G214 PolarHBondContact O-N 2.93Å
213	V	42.1	Very low	63.8	Low	148 Å²	148	117.7 Å²	117.7	90%	0.897	65%	0.646	S	S	*	*	S	Bend	trans	-70.8	88.8	155.8	179.2	0	0	0	0	106.8	G211	G211-V213 PolarHBondContact O-N 2.8Å
214	G	39.5	Very low	61.7	Low	60 Å²	60	124.6 Å²	124.6	62%	0.619	68%	0.684	S	S	*	*			trans	178.5	23.9	-174.9	0	0	0	0	0	118.7	E212	E212-G214 VanDerWaalsContact C-N 3.26Å; E212-G214 PolarHBondContact O-N 2.93Å
215	K	31.4	Very low	59.6	Low	176 Å²	176	127.3 Å²	127.3	77%	0.765	70%	0.695	S	S	*	*			trans	-134.9	80.7	160.9	-70.2	-173.6	-176.5	169.1	0	110.1	K217	K215-K217 VanDerWaalsContact C-N 3.32Å; K215-K217 PolarHBondContact O-N 2.88Å
216	T	32.6	Very low	57.1	Low	138 Å²	138	124.6 Å²	124.6	85%	0.847	69%	0.694	S	S	*	*			trans	-56	103	153	33.3	0	0	0	0	107.4	T218	T216-T218 PolarHBondContact O-N 3.26Å; T216-T218 VanDerWaalsContact O-N 3.09Å
217	K	32.3	Very low	54.2	Low	197 Å²	197	127.5 Å²	127.5	86%	0.857	72%	0.716	S	S	*	*			trans	-64.6	104.8	162.4	-76.3	-177.3	177.1	177.7	0	106.7	K215 K219	K215-K217 VanDerWaalsContact C-N 3.32Å; K215-K217 PolarHBondContact O-N 2.88Å; K217-K219 PolarHBondContact O-N 3.1Å
218	T	35.8	Very low	51	Low	138 Å²	138	132.7 Å²	132.7	85%	0.847	72%	0.719	S	S	*	*			trans	-60.9	118.6	160.5	-32.7	0	0	0	0	107.3	T216	T216-T218 PolarHBondContact O-N 3.26Å; T216-T218 VanDerWaalsContact O-N 3.09Å
219	K	35.1	Very low	47.3	Very low	272 Å²	272	135.2 Å²	135.2	100%	1.183	74%	0.743	S	S	*	*			trans	-122.3	0	152.6	-94.7	-166.3	174.9	-172	0	106.9	K217	K217-K219 PolarHBondContact O-N 3.1Å

Retrieved 219 of 219 residues in 165.7 ms (Link to these results)

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