A0A077ZB49_TRITR Loading...

ATP-dependent Clp protease proteolytic subunit

Clp cleaves peptides in various proteins in a process that requires ATP hydrolysis. Clp may be responsible for a fairly general and central housekeeping function rather than for the degradation of specific substrates.

AlphaFold DB , UniProt , Accession A0A077ZB49, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 227 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	43.2	Very low	43.1	Very low	250 Å²	250	175.1 Å²	175.1	100%	1.232	86%	0.861	S	S	*	*				0	98.1	0	-86	175.5	171	0	0	107.9
2	A	41.9	Very low	43	Very low	103 Å²	103	171.3 Å²	171.3	85%	0.851	86%	0.855	S	S	*	*			trans	-92.1	121.4	-170.3	0	0	0	0	0	111	R4	A2-R4 PolarHBondContact O-N 3.39Å
3	L	39.5	Very low	42.9	Very low	164 Å²	164	166.2 Å²	166.2	86%	0.859	85%	0.846	S	S	*	*			trans	-79.6	106.6	177.7	-162.5	77.3	0	0	0	109.2	Q5	L3-Q5 PolarHBondContact O-N 3.45Å
4	R	41.3	Very low	42.8	Very low	231 Å²	231	162.4 Å²	162.4	87%	0.872	84%	0.84	S	S	*	*			trans	-73.5	108	169.2	-88.7	-179.6	167.2	-168.9	-3.3	109.4	A2 M6	A2-R4 PolarHBondContact O-N 3.39Å; R4-M6 PolarHBondContact O-N 3.36Å
5	Q	44.8	Very low	43	Very low	174 Å²	174	158.7 Å²	158.7	81%	0.813	83%	0.827	S	S	*	*			trans	-80.9	106	160.6	-88.5	175.9	-14.1	0	0	109	L3 I7	L3-Q5 PolarHBondContact O-N 3.45Å; Q5-I7 PolarHBondContact O-N 3.35Å
6	M	42.1	Very low	43.8	Very low	167 Å²	167	162.7 Å²	162.7	82%	0.823	83%	0.828	S	S	*	*			trans	-72.5	109.9	164	-86.6	-176.7	178.8	0	0	109.1	R4 R8	R4-M6 PolarHBondContact O-N 3.36Å; M6-R8 PolarHBondContact O-N 3.38Å
7	I	46.5	Very low	44.4	Very low	147 Å²	147	162.4 Å²	162.4	75%	0.754	83%	0.828	S	S	*	*			trans	-77.1	108	164.4	-64.2	172.5	0	0	0	107.1	Q5 F9	Q5-I7 PolarHBondContact O-N 3.35Å; I7-F9 PolarHBondContact O-N 3.22Å
8	R	42.2	Very low	45.9	Very low	233 Å²	233	162.2 Å²	162.2	88%	0.879	82%	0.823	S	S	*	*			trans	-75.3	110.4	168.4	-75.2	-178.6	175.8	177.9	-1.5	108.3	M6 A10	M6-R8 PolarHBondContact O-N 3.38Å; R8-A10 PolarHBondContact O-N 3.37Å
9	F	42.9	Very low	47.8	Very low	184 Å²	184	159.5 Å²	159.5	81%	0.807	82%	0.818	S	S	*	*			trans	-66.8	109.3	161.9	-90.5	-92	0	0	0	108.4	I7 H11	I7-F9 PolarHBondContact O-N 3.22Å; F9-H11 PolarHBondContact O-N 3Å
10	A	44.6	Very low	49.8	Very low	87 Å²	87	163 Å²	163	72%	0.719	82%	0.822	S	S	*	*			trans	-72.8	105.8	165.6	0	0	0	0	0	107.9	R8 T12	R8-A10 PolarHBondContact O-N 3.37Å; A10-T12 PolarHBondContact O-N 3.22Å
11	H	44.5	Very low	51.7	Low	186 Å²	186	159.3 Å²	159.3	86%	0.861	80%	0.803	S	S	*	*			trans	-65.4	95.8	163.9	-81.6	-74.6	0	0	0	108.6	F9 S13	F9-H11 PolarHBondContact O-N 3Å; H11-S13 PolarHBondContact O-N 2.99Å
12	T	42.1	Very low	54.1	Low	129 Å²	129	151.4 Å²	151.4	79%	0.791	77%	0.771	S	S	*	*			trans	-75.2	98.5	159.9	38.9	0	0	0	0	107.6	A10 C14	A10-T12 PolarHBondContact O-N 3.22Å; T12-C14 PolarHBondContact O-N 3.09Å
13	S	42.4	Very low	56.5	Low	105 Å²	105	152.2 Å²	152.2	73%	0.734	76%	0.76	S	S	*	*			trans	-60.5	102.1	163	51.9	0	0	0	0	107.8	H11 V15	H11-S13 PolarHBondContact O-N 2.99Å; S13-V15 VanDerWaalsContact C-N 3.33Å; S13-V15 PolarHBondContact O-N 3.07Å
14	C	40.8	Very low	58.9	Low	114 Å²	114	146.6 Å²	146.6	77%	0.77	73%	0.732	S	S	*	*			trans	-67.2	96.3	169.7	-173.1	0	0	0	0	107.5	T12 R16	T12-C14 PolarHBondContact O-N 3.09Å; C14-R16 PolarHBondContact O-N 3.16Å
15	V	46.5	Very low	61.3	Low	106 Å²	106	139.8 Å²	139.8	64%	0.642	72%	0.716	S	S	*	*			trans	-62.9	104.6	165.4	-179.6	0	0	0	0	105.5	S13 L17	S13-V15 VanDerWaalsContact C-N 3.33Å; S13-V15 PolarHBondContact O-N 3.07Å; V15-L17 HydrophobicContact CG1-CG 4.27Å; V15-L17 PolarHBondContact O-N 3.2Å
16	R	54.7	Low	63.3	Low	223 Å²	223	134.3 Å²	134.3	84%	0.842	69%	0.691	S	S	*	*			trans	-65.9	89.2	167	-77.3	-169.5	-168.7	-173.6	5	107.2	C14 Q18	C14-R16 PolarHBondContact O-N 3.16Å; R16-Q18 VanDerWaalsContact C-N 3.29Å; R16-Q18 PolarHBondContact O-N 3.02Å
17	L	55.1	Low	65.4	Low	158 Å²	158	134 Å²	134	83%	0.827	69%	0.687	S	S	*	*			trans	-63.8	96.7	163.6	-76.8	161.6	0	0	0	106.5	V15	V15-L17 HydrophobicContact CG1-CG 4.27Å; V15-L17 PolarHBondContact O-N 3.2Å
18	Q	71.3	Confident	67.2	Low	158 Å²	158	129.2 Å²	129.2	74%	0.738	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-68	132.4	167.5	-73.7	-153.7	-34.3	0	0	108.1	R16	R16-Q18 VanDerWaalsContact C-N 3.29Å; R16-Q18 PolarHBondContact O-N 3.02Å
19	P	81.2	Confident	69.2	Low	111 Å²	111	122.6 Å²	122.6	72%	0.721	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-60.6	144	173.6	27.3	-33.6	0	0	0	109.3	I21	P19-I21 PolarHBondContact O-N 2.96Å
20	Y	87.5	Confident	71.1	Confident	230 Å²	230	125 Å²	125	90%	0.902	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-61.8	128.1	172.9	-67.6	-77.3	0	0	0	109.7
21	I	91.1	Very high	73.2	Confident	85 Å²	85	122.8 Å²	122.8	44%	0.436	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-85.3	121.4	175.3	-57.7	176.1	0	0	0	107.6	P19 D36 I37 F38	P19-I21 PolarHBondContact O-N 2.96Å; I21-D36 HydrophobicContact CG2-CB 3.92Å; I21-I37 HydrophobicContact CG2-CG2 3.85Å; I21-F38 HydrophobicContact CD1-CD2 4.35Å; I21-F38 HydrophobicContact CD1-CE2 4.14Å; I21-F38 HydrophobicContact CG1-CE2 4.46Å; I21-F38 HydrophobicContact CG2-CD2 4.17Å; I21-F38 HydrophobicContact CG2-CE2 4.21Å
22	P	92.3	Very high	75.2	Confident	84 Å²	84	120.4 Å²	120.4	55%	0.545	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-66.4	147.4	179.2	27.5	-33.8	0	0	0	111.1	I37	P22-I37 HydrophobicContact CG-CB 4.33Å; P22-I37 HydrophobicContact CG-CG2 4.27Å; P22-I37 PolarHBondContact O-N 3.02Å
23	I	92.8	Very high	77.4	Confident	121 Å²	121	120.2 Å²	120.2	62%	0.621	63%	0.632	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.7	132.7	175.5	-61.4	176.1	0	0	0	108.4	V25 A34 Y35	I23-V25 HydrophobicContact CG2-CG2 4.44Å; I23-A34 HydrophobicContact CG2-CB 3.77Å; I23-Y35 CarbonylContact C-O 3.57Å; I23-Y35 VanDerWaalsContact CA-O 3.32Å; I23-Y35 WeakPolarHBondContact CA-O 3.39Å; I23-Y35 WeakPolarHBondContact CG2-O 3.48Å
24	V	91.3	Very high	79.6	Confident	45 Å²	45	118.5 Å²	118.5	27%	0.273	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.5	127	171.4	-177.2	0	0	0	0	107.9	E26 A34 Y35 I37	V24-E26 HydrophobicContact CG1-CG 4.19Å; V24-A34 WeakPolarHBondContact O-CA 3.45Å; V24-Y35 PolarHBondContact N-O 3.03Å; V24-Y35 PolarHBondContact O-N 3.03Å; V24-I37 HydrophobicContact CG2-CD1 3.82Å
25	V	90.6	Very high	81.9	Confident	89 Å²	89	115.3 Å²	115.3	54%	0.539	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	120.7	174.7	-177.9	0	0	0	0	108.4	I23 E32 R33 A34	I23-V25 HydrophobicContact CG2-CG2 4.44Å; V25-E32 HydrophobicContact CG1-CB 4.3Å; V25-E32 HydrophobicContact CG1-CG 4.5Å; V25-R33 WeakPolarHBondContact CA-O 3.5Å; V25-A34 HydrophobicContact CG2-CB 4.43Å
26	E	87.3	Confident	84.2	Confident	59 Å²	59	112.9 Å²	112.9	28%	0.276	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.8	133.5	175.3	-68.5	-166.1	155.8	0	0	110.9	V24 T28 R33 R40	V24-E26 HydrophobicContact CG1-CG 4.19Å; E26-T28 PolarHBondContact O-N 3.33Å; E26-R33 PolarHBondContact N-O 3Å; E26-R33 PolarHBondContact O-N 2.95Å; E26-R40 VanDerWaalsContact CD-NE 3.34Å; E26-R40 IonicContact OE1-CZ 3.37Å; E26-R40 IonicContact OE1-NE 3.6Å; E26-R40 PolarHBondContact OE1-NE 3.07Å; E26-R40 IonicContact OE1-NH2 2.75Å; E26-R40 PolarHBondContact OE1-NH2 3.37Å; E26-R40 IonicContact OE2-NE 3.65Å
27	Q	86.5	Confident	86	Confident	160 Å²	160	105 Å²	105	75%	0.748	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83	106.9	170.4	-74.6	-174.2	-10.2	0	0	109	E32	Q27-E32 HydrophobicContact CG-CG 3.88Å; Q27-E32 PolarHBondContact NE2-OE1 3.4Å
28	T	83.2	Confident	87.9	Confident	46 Å²	46	102.2 Å²	102.2	28%	0.282	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	160.7	169.8	73.5	0	0	0	0	109.4	E26 R30 G31 R33	E26-T28 PolarHBondContact O-N 3.33Å; T28-R30 PolarHBondContact O-N 3.22Å; T28-R30 PolarHBondContact OG1-N 3.14Å; T28-G31 WeakPolarHBondContact CA-O 3.33Å; T28-G31 PolarHBondContact N-O 2.89Å; T28-G31 PolarHBondContact O-N 3.39Å; T28-G31 PolarHBondContact OG1-O 2.98Å; T28-R33 HydrophobicContact CG2-CG 4.23Å
29	G	83.9	Confident	89	Confident	95 Å²	95	97.1 Å²	97.1	98%	0.979	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-8.1	174.1	0	0	0	0	0	115
30	R	83.9	Confident	89.6	Confident	235 Å²	235	94.3 Å²	94.3	89%	0.887	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	9.4	176.2	-66.2	-175.8	178	174	-0	113.6	T28	T28-R30 PolarHBondContact O-N 3.22Å; T28-R30 PolarHBondContact OG1-N 3.14Å
31	G	88.2	Confident	90	Very high	39 Å²	39	85.8 Å²	85.8	40%	0.402	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	118.4	-174.1	-178	0	0	0	0	0	113.3	T28	T28-G31 WeakPolarHBondContact CA-O 3.33Å; T28-G31 PolarHBondContact N-O 2.89Å; T28-G31 PolarHBondContact O-N 3.39Å; T28-G31 PolarHBondContact OG1-O 2.98Å
32	E	87	Confident	90.3	Very high	137 Å²	137	83.2 Å²	83.2	64%	0.64	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.7	-179.1	-69.5	-178.3	169.5	0	0	111.2	V25 Q27	V25-E32 HydrophobicContact CG1-CB 4.3Å; V25-E32 HydrophobicContact CG1-CG 4.5Å; Q27-E32 HydrophobicContact CG-CG 3.88Å; Q27-E32 PolarHBondContact NE2-OE1 3.4Å
33	R	88.5	Confident	90.3	Very high	124 Å²	124	84.2 Å²	84.2	47%	0.468	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.5	170.8	-68.8	-170.9	175.9	-177	-3.1	109.5	V25 E26 T28 Y35	V25-R33 WeakPolarHBondContact CA-O 3.5Å; E26-R33 PolarHBondContact N-O 3Å; E26-R33 PolarHBondContact O-N 2.95Å; T28-R33 HydrophobicContact CG2-CG 4.23Å; R33-Y35 HydrophobicContact CB-CD2 4.39Å; R33-Y35 HydrophobicContact CB-CE2 3.65Å; R33-Y35 WeakPolarHBondContact CD-OH 3.32Å; R33-Y35 PolarHBondContact NH1-OH 3.36Å
34	A	89	Confident	90.5	Very high	69 Å²	69	83.7 Å²	83.7	57%	0.57	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.7	175.1	0	0	0	0	0	109.3	I23 V24 V25	I23-A34 HydrophobicContact CG2-CB 3.77Å; V24-A34 WeakPolarHBondContact O-CA 3.45Å; V25-A34 HydrophobicContact CG2-CB 4.43Å
35	Y	88.1	Confident	90.8	Very high	47 Å²	47	82.6 Å²	82.6	18%	0.184	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.4	176.4	-57.5	-80	0	0	0	109.1	I23 V24 R33	I23-Y35 CarbonylContact C-O 3.57Å; I23-Y35 VanDerWaalsContact CA-O 3.32Å; I23-Y35 WeakPolarHBondContact CA-O 3.39Å; I23-Y35 WeakPolarHBondContact CG2-O 3.48Å; V24-Y35 PolarHBondContact N-O 3.03Å; V24-Y35 PolarHBondContact O-N 3.03Å; R33-Y35 HydrophobicContact CB-CD2 4.39Å; R33-Y35 HydrophobicContact CB-CE2 3.65Å; R33-Y35 WeakPolarHBondContact CD-OH 3.32Å; R33-Y35 PolarHBondContact NH1-OH 3.36Å
36	D	94.1	Very high	91.1	Very high	55 Å²	55	79.9 Å²	79.9	29%	0.294	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	158.7	159.2	73.2	88.2	0	0	0	109.9	I21 F38 S39 R40	I21-D36 HydrophobicContact CG2-CB 3.92Å; D36-F38 PolarHBondContact O-N 2.92Å; D36-F38 WeakPolarHBondContact OD1-CA 3.24Å; D36-F38 VanDerWaalsContact OD1-CB 3.3Å; D36-F38 WeakPolarHBondContact OD1-CB 3.3Å; D36-F38 PolarHBondContact OD1-N 3.45Å; D36-S39 PolarHBondContact O-N 3.24Å; D36-S39 PolarHBondContact OD1-N 3.37Å; D36-S39 WeakPolarHBondContact OD2-CB 3.41Å; D36-S39 PolarHBondContact OD2-OG 2.82Å; D36-R40 PolarHBondContact O-N 2.94Å
37	I	93.5	Very high	91.6	Very high	58 Å²	58	77.1 Å²	77.1	30%	0.297	40%	0.401	S	S	.	.	H	α-helix	trans	-58.3	-32.9	-176.4	-168.6	60.1	0	0	0	113.5	I21 P22 V24 R40 L41	I21-I37 HydrophobicContact CG2-CG2 3.85Å; P22-I37 HydrophobicContact CG-CB 4.33Å; P22-I37 HydrophobicContact CG-CG2 4.27Å; P22-I37 PolarHBondContact O-N 3.02Å; V24-I37 HydrophobicContact CG2-CD1 3.82Å; I37-R40 PolarHBondContact O-N 2.92Å; I37-L41 VanDerWaalsContact O-CG 3.29Å; I37-L41 WeakPolarHBondContact O-CG 3.42Å; I37-L41 PolarHBondContact O-N 2.87Å
38	F	94.5	Very high	92.2	Very high	100 Å²	100	70.8 Å²	70.8	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-75.4	-39	179.4	-60.5	-74.1	0	0	0	111.6	I21 D36 R40 L41 L42 C48	I21-F38 HydrophobicContact CD1-CD2 4.35Å; I21-F38 HydrophobicContact CD1-CE2 4.14Å; I21-F38 HydrophobicContact CG1-CE2 4.46Å; I21-F38 HydrophobicContact CG2-CD2 4.17Å; I21-F38 HydrophobicContact CG2-CE2 4.21Å; D36-F38 PolarHBondContact O-N 2.92Å; D36-F38 WeakPolarHBondContact OD1-CA 3.24Å; D36-F38 VanDerWaalsContact OD1-CB 3.3Å; D36-F38 WeakPolarHBondContact OD1-CB 3.3Å; D36-F38 PolarHBondContact OD1-N 3.45Å; F38-R40 VanDerWaalsContact C-N 3.27Å; F38-R40 PolarHBondContact O-N 3.28Å; F38-L41 HydrophobicContact CD1-CD1 4.49Å; F38-L41 PolarHBondContact O-N 3.25Å; F38-L42 PolarHBondContact O-N 2.65Å; F38-C48 HydrophobicContact CD1-CB 4.09Å; F38-C48 HydrophobicContact CE1-CB 4.15Å
39	S	94.1	Very high	92.9	Very high	51 Å²	51	68.7 Å²	68.7	36%	0.357	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-40	171.2	-70.2	0	0	0	0	111.7	D36 L42 E43	D36-S39 PolarHBondContact O-N 3.24Å; D36-S39 PolarHBondContact OD1-N 3.37Å; D36-S39 WeakPolarHBondContact OD2-CB 3.41Å; D36-S39 PolarHBondContact OD2-OG 2.82Å; S39-L42 PolarHBondContact O-N 3.4Å; S39-E43 PolarHBondContact O-N 2.76Å
40	R	94.3	Very high	93.5	Very high	51 Å²	51	67 Å²	67	19%	0.192	33%	0.329	C	S	.	.	H	α-helix	trans	-65	-39	175.8	-178.5	59.9	-172.9	90.9	-7.1	112.6	E26 D36 I37 F38 E43 E44	E26-R40 VanDerWaalsContact CD-NE 3.34Å; E26-R40 IonicContact OE1-CZ 3.37Å; E26-R40 IonicContact OE1-NE 3.6Å; E26-R40 PolarHBondContact OE1-NE 3.07Å; E26-R40 IonicContact OE1-NH2 2.75Å; E26-R40 PolarHBondContact OE1-NH2 3.37Å; E26-R40 IonicContact OE2-NE 3.65Å; D36-R40 PolarHBondContact O-N 2.94Å; I37-R40 PolarHBondContact O-N 2.92Å; F38-R40 VanDerWaalsContact C-N 3.27Å; F38-R40 PolarHBondContact O-N 3.28Å; R40-E43 WeakPolarHBondContact O-CB 3.17Å; R40-E43 PolarHBondContact O-N 2.91Å; R40-E44 IonicContact CZ-OE1 2.69Å; R40-E44 IonicContact NH1-OE1 3.36Å; R40-E44 PolarHBondContact NH1-OE1 3.05Å; R40-E44 IonicContact NH2-OE1 3.83Å; R40-E44 PolarHBondContact NH2-OE1 3.08Å
41	L	96.7	Very high	94.1	Very high	51 Å²	51	57 Å²	57	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-38.4	173.8	-73.8	173	0	0	0	112.1	I37 F38 E43 E44 R45 I46	I37-L41 VanDerWaalsContact O-CG 3.29Å; I37-L41 WeakPolarHBondContact O-CG 3.42Å; I37-L41 PolarHBondContact O-N 2.87Å; F38-L41 HydrophobicContact CD1-CD1 4.49Å; F38-L41 PolarHBondContact O-N 3.25Å; L41-E43 VanDerWaalsContact C-N 3.25Å; L41-E43 PolarHBondContact O-N 3.45Å; L41-E44 CarbonylContact O-C 3.55Å; L41-E44 WeakPolarHBondContact O-CA 3.36Å; L41-E44 WeakPolarHBondContact O-CB 3.41Å; L41-E44 PolarHBondContact O-N 3.45Å; L41-R45 PolarHBondContact O-N 3.21Å; L41-I46 CarbonylContact C-O 3.46Å; L41-I46 HydrophobicContact CB-CB 4.05Å; L41-I46 HydrophobicContact CB-CG2 4.21Å; L41-I46 HydrophobicContact CD2-CB 4.45Å; L41-I46 HydrophobicContact CD2-CD1 3.83Å; L41-I46 HydrophobicContact CD2-CG2 4.39Å; L41-I46 WeakPolarHBondContact O-CB 3.4Å; L41-I46 PolarHBondContact O-N 3.06Å
42	L	96.9	Very high	94.6	Very high	32 Å²	32	59 Å²	59	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-32.7	177.2	-174.6	65.2	0	0	0	111.9	F38 S39 E44 R45 I46 I47 Q64 F67 L68	F38-L42 PolarHBondContact O-N 2.65Å; S39-L42 PolarHBondContact O-N 3.4Å; L42-E44 VanDerWaalsContact C-N 3.28Å; L42-E44 PolarHBondContact O-N 3.35Å; L42-R45 WeakPolarHBondContact O-CA 3.43Å; L42-R45 PolarHBondContact O-N 2.85Å; L42-I46 WeakPolarHBondContact CA-O 3.46Å; L42-I47 HydrophobicContact CD1-CG1 4.1Å; L42-Q64 HydrophobicContact CD1-CB 3.99Å; L42-Q64 HydrophobicContact CD1-CG 3.95Å; L42-Q64 HydrophobicContact CD2-CG 4.05Å; L42-F67 HydrophobicContact CD2-CD1 4.22Å; L42-F67 HydrophobicContact CD2-CE1 4.3Å; L42-F67 HydrophobicContact CG-CD1 4.5Å; L42-F67 HydrophobicContact CG-CE1 4.49Å; L42-L68 HydrophobicContact CD1-CD1 3.88Å; L42-L68 HydrophobicContact CD1-CD2 3.91Å; L42-L68 HydrophobicContact CD1-CG 3.91Å; L42-L68 HydrophobicContact CG-CD2 4.34Å; L42-L68 WeakPolarHBondContact O-CD2 3.28Å
43	E	92.9	Very high	95.2	Very high	105 Å²	105	52.6 Å²	52.6	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-61.5	-36.1	172	-170.7	164.1	-161.7	0	0	112.1	S39 R40 L41 R45	S39-E43 PolarHBondContact O-N 2.76Å; R40-E43 WeakPolarHBondContact O-CB 3.17Å; R40-E43 PolarHBondContact O-N 2.91Å; L41-E43 VanDerWaalsContact C-N 3.25Å; L41-E43 PolarHBondContact O-N 3.45Å; E43-R45 PolarHBondContact O-N 2.91Å
44	E	95.3	Very high	95.6	Very high	110 Å²	110	49.3 Å²	49.3	51%	0.514	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	11.4	169.8	-57.9	-57.7	155.1	0	0	113.5	R40 L41 L42 I46	R40-E44 IonicContact CZ-OE1 2.69Å; R40-E44 IonicContact NH1-OE1 3.36Å; R40-E44 PolarHBondContact NH1-OE1 3.05Å; R40-E44 IonicContact NH2-OE1 3.83Å; R40-E44 PolarHBondContact NH2-OE1 3.08Å; L41-E44 CarbonylContact O-C 3.55Å; L41-E44 WeakPolarHBondContact O-CA 3.36Å; L41-E44 WeakPolarHBondContact O-CB 3.41Å; L41-E44 PolarHBondContact O-N 3.45Å; L42-E44 VanDerWaalsContact C-N 3.28Å; L42-E44 PolarHBondContact O-N 3.35Å; E44-I46 VanDerWaalsContact C-N 3.26Å; E44-I46 HydrophobicContact CB-CD1 4.16Å; E44-I46 HydrophobicContact CB-CG1 4.4Å; E44-I46 PolarHBondContact O-N 2.79Å
45	R	97.6	Very high	96.1	Very high	22 Å²	22	50.4 Å²	50.4	8%	0.083	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	31.1	179.7	-45.6	179.3	59.7	82.6	-12.3	113.4	L41 L42 E43 L68 S72 K75 P76 V77 H78	L41-R45 PolarHBondContact O-N 3.21Å; L42-R45 WeakPolarHBondContact O-CA 3.43Å; L42-R45 PolarHBondContact O-N 2.85Å; E43-R45 PolarHBondContact O-N 2.91Å; R45-L68 HydrophobicContact CB-CD1 4.11Å; R45-L68 HydrophobicContact CB-CD2 4.24Å; R45-L68 HydrophobicContact CG-CD2 4.1Å; R45-L68 PolarHBondContact NH1-O 3.33Å; R45-L68 PolarHBondContact NH2-O 2.79Å; R45-S72 PolarHBondContact NH2-O 3.26Å; R45-K75 PolarHBondContact NE-O 3.46Å; R45-K75 PolarHBondContact NH2-O 3.26Å; R45-P76 VanDerWaalsContact CD-O 3.3Å; R45-P76 WeakPolarHBondContact CD-O 3.43Å; R45-P76 PolarHBondContact NE-O 3.32Å; R45-V77 HydrophobicContact CB-CG2 4.44Å; R45-H78 PolarHBondContact O-N 3.13Å
46	I	98.1	Very high	96.5	Very high	32 Å²	32	54.3 Å²	54.3	16%	0.164	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.1	174.7	-63.9	167.5	0	0	0	109.1	L41 L42 E44 H78 Y80	L41-I46 CarbonylContact C-O 3.46Å; L41-I46 HydrophobicContact CB-CB 4.05Å; L41-I46 HydrophobicContact CB-CG2 4.21Å; L41-I46 HydrophobicContact CD2-CB 4.45Å; L41-I46 HydrophobicContact CD2-CD1 3.83Å; L41-I46 HydrophobicContact CD2-CG2 4.39Å; L41-I46 WeakPolarHBondContact O-CB 3.4Å; L41-I46 PolarHBondContact O-N 3.06Å; L42-I46 WeakPolarHBondContact CA-O 3.46Å; E44-I46 VanDerWaalsContact C-N 3.26Å; E44-I46 HydrophobicContact CB-CD1 4.16Å; E44-I46 HydrophobicContact CB-CG1 4.4Å; E44-I46 PolarHBondContact O-N 2.79Å; I46-H78 CarbonylContact C-O 3.59Å; I46-H78 WeakPolarHBondContact CA-O 3.38Å; I46-H78 HydrophobicContact CG1-CB 4.1Å; I46-Y80 HydrophobicContact CG1-CE2 4.33Å; I46-Y80 HydrophobicContact CG2-CD2 3.62Å; I46-Y80 HydrophobicContact CG2-CE2 3.78Å
47	I	98.3	Very high	96.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.9	174.4	-63.9	177.9	0	0	0	108.6	L42 I61 Q64 L65 L68 V77 H78 I79 Y80	L42-I47 HydrophobicContact CD1-CG1 4.1Å; I47-I61 HydrophobicContact CG2-CD1 3.26Å; I47-I61 HydrophobicContact CG2-CG2 4.33Å; I47-Q64 HydrophobicContact CD1-CB 3.73Å; I47-Q64 HydrophobicContact CG1-CB 4.08Å; I47-L65 HydrophobicContact CD1-CD2 3.54Å; I47-L65 HydrophobicContact CD1-CG 3.76Å; I47-L68 HydrophobicContact CD1-CD1 3.82Å; I47-L68 HydrophobicContact CG1-CD1 3.91Å; I47-V77 HydrophobicContact CD1-CG1 3.99Å; I47-V77 HydrophobicContact CG1-CG1 4.36Å; I47-H78 PolarHBondContact N-O 2.9Å; I47-I79 WeakPolarHBondContact O-CA 3.37Å; I47-Y80 PolarHBondContact O-N 3.32Å
48	C	97.7	Very high	96.9	Very high	28 Å²	28	51.5 Å²	51.5	19%	0.189	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109.6	178.8	-61.6	0	0	0	0	110.9	F38 M50	F38-C48 HydrophobicContact CD1-CB 4.09Å; F38-C48 HydrophobicContact CE1-CB 4.15Å; C48-M50 HydrophobicContact CB-CE 3.86Å; C48-M50 HydrophobicContact CB-CG 3.92Å
49	L	98.1	Very high	97.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	91.3	170.7	-166.2	169.1	0	0	0	108.6	I53 I61 I79 Y80 I81 N82 S83 I94 L122	L49-I53 HydrophobicContact CD2-CD1 4.41Å; L49-I53 HydrophobicContact CD2-CG1 4.04Å; L49-I61 HydrophobicContact CB-CD1 4.32Å; L49-I79 HydrophobicContact CB-CG2 4.41Å; L49-Y80 PolarHBondContact N-O 2.91Å; L49-I81 HydrophobicContact CB-CG1 4.43Å; L49-I81 WeakPolarHBondContact O-CA 3.47Å; L49-N82 PolarHBondContact O-N 3.45Å; L49-S83 VanDerWaalsContact CD2-CB 3.41Å; L49-I94 HydrophobicContact CD1-CD1 4.3Å; L49-L122 HydrophobicContact CD1-CD1 3.52Å
50	M	96.8	Very high	97.3	Very high	60 Å²	60	53.4 Å²	53.4	30%	0.296	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123	-172	-53.8	-62.9	164.3	0	0	110.7	C48 M57 Y80 N82 I112	C48-M50 HydrophobicContact CB-CE 3.86Å; C48-M50 HydrophobicContact CB-CG 3.92Å; M50-M57 WeakPolarHBondContact O-CE 3.19Å; M50-Y80 VanDerWaalsContact CE-O 3.31Å; M50-Y80 WeakPolarHBondContact CE-O 3.49Å; M50-N82 WeakPolarHBondContact CA-O 3.39Å; M50-N82 HydrophobicContact SD-CB 3.38Å; M50-N82 WeakPolarHBondContact SD-CB 3.46Å; M50-I112 HydrophobicContact CE-CD1 3.66Å; M50-I112 HydrophobicContact CE-CG1 4.22Å; M50-I112 HydrophobicContact SD-CD1 4.33Å
51	G	97.1	Very high	97.5	Very high	24 Å²	24	51 Å²	51	25%	0.247	28%	0.278	C	S	.	.	S	Bend	trans	90.9	-169.5	-178	0	0	0	0	0	114.2	N82 S83	G51-N82 PolarHBondContact N-O 3.34Å; G51-S83 WeakPolarHBondContact O-CB 3.32Å; G51-S83 PolarHBondContact O-OG 3.47Å
52	P	98.1	Very high	97.6	Very high	82 Å²	82	50 Å²	50	53%	0.532	27%	0.274	S	S	.	.			trans	-62.5	141.7	-175.6	-22.5	34	0	0	0	113	T54 P84 G85	P52-T54 HydrophobicContact CB-CG2 4.49Å; P52-T54 PolarHBondContact O-N 3.4Å; P52-P84 HydrophobicContact CG-CG 4.31Å; P52-G85 CarbonylContact C-O 3.54Å; P52-G85 WeakPolarHBondContact CA-O 3.37Å
53	I	98.5	Very high	97.6	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-80.8	106.4	174.6	-60.5	169.7	0	0	0	108.6	L49 G85 G86 S87 A90 I94 M118 A119 L122	L49-I53 HydrophobicContact CD2-CD1 4.41Å; L49-I53 HydrophobicContact CD2-CG1 4.04Å; I53-G85 PolarHBondContact N-O 2.75Å; I53-G86 CarbonylContact O-C 3.55Å; I53-G86 WeakPolarHBondContact O-CA 3.47Å; I53-S87 PolarHBondContact O-N 3.29Å; I53-A90 HydrophobicContact CG2-CB 3.89Å; I53-I94 HydrophobicContact CG2-CD1 4.2Å; I53-M118 HydrophobicContact CD1-CB 3.86Å; I53-A119 HydrophobicContact CD1-CB 4.22Å; I53-L122 HydrophobicContact CD1-CD1 3.74Å
54	T	98.4	Very high	97.9	Very high	55 Å²	55	48.4 Å²	48.4	34%	0.337	28%	0.275	S	S	.	.			trans	-115.6	173	174.1	71.7	0	0	0	0	110.4	P52 E56 M57 S58	P52-T54 HydrophobicContact CB-CG2 4.49Å; P52-T54 PolarHBondContact O-N 3.4Å; T54-E56 VanDerWaalsContact C-N 3.27Å; T54-E56 WeakPolarHBondContact CB-OE2 3.25Å; T54-E56 PolarHBondContact O-N 3.04Å; T54-E56 PolarHBondContact OG1-OE2 3.49Å; T54-M57 PolarHBondContact O-N 2.97Å; T54-M57 PolarHBondContact OG1-N 3.44Å; T54-S58 WeakPolarHBondContact O-CB 3.37Å; T54-S58 PolarHBondContact O-N 2.84Å
55	D	98.3	Very high	98	Very high	93 Å²	93	43.2 Å²	43.2	50%	0.497	25%	0.251	S	S	.	.	H	α-helix	trans	-63.8	-33.8	177.8	-63.7	-37.7	0	0	0	111.9	S58 S59 A90	D55-S58 PolarHBondContact O-N 3.28Å; D55-S59 WeakPolarHBondContact O-CB 3.19Å; D55-S59 PolarHBondContact O-N 3.45Å; D55-S59 PolarHBondContact O-OG 3.43Å; D55-A90 WeakPolarHBondContact OD1-CB 3.41Å
56	E	98.2	Very high	98	Very high	129 Å²	129	45.9 Å²	45.9	60%	0.603	27%	0.266	S	S	*	.	H	α-helix	trans	-67.6	-46.2	175.1	-55.1	79.1	-173	0	0	111.3	T54 S58 S59 L60	T54-E56 VanDerWaalsContact C-N 3.27Å; T54-E56 WeakPolarHBondContact CB-OE2 3.25Å; T54-E56 PolarHBondContact O-N 3.04Å; T54-E56 PolarHBondContact OG1-OE2 3.49Å; E56-S58 VanDerWaalsContact C-N 3.33Å; E56-S58 PolarHBondContact O-N 3.4Å; E56-S59 PolarHBondContact O-N 3.26Å; E56-L60 WeakPolarHBondContact O-CG 3.48Å; E56-L60 PolarHBondContact O-N 3.48Å
57	M	97.3	Very high	98	Very high	43 Å²	43	48.7 Å²	48.7	21%	0.212	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-46.1	175.1	-179	66.1	74.5	0	0	110.4	M50 T54 S59 L60 I61	M50-M57 WeakPolarHBondContact O-CE 3.19Å; T54-M57 PolarHBondContact O-N 2.97Å; T54-M57 PolarHBondContact OG1-N 3.44Å; M57-S59 PolarHBondContact O-N 2.92Å; M57-L60 PolarHBondContact O-N 2.87Å; M57-I61 HydrophobicContact CG-CG1 4.32Å; M57-I61 VanDerWaalsContact O-CG1 3.25Å; M57-I61 WeakPolarHBondContact O-CG1 3Å; M57-I61 PolarHBondContact O-N 3.28Å; M57-I61 HydrophobicContact SD-CD1 4.43Å; M57-I61 HydrophobicContact SD-CG1 4.2Å
58	S	98.3	Very high	97.9	Very high	11 Å²	11	48.9 Å²	48.9	8%	0.077	28%	0.279	C	S	.	.	H	α-helix	trans	-57.9	-48.1	177.3	-176.8	0	0	0	0	111.7	T54 D55 E56 L60 I61 V62 A90 I94	T54-S58 WeakPolarHBondContact O-CB 3.37Å; T54-S58 PolarHBondContact O-N 2.84Å; D55-S58 PolarHBondContact O-N 3.28Å; E56-S58 VanDerWaalsContact C-N 3.33Å; E56-S58 PolarHBondContact O-N 3.4Å; S58-L60 VanDerWaalsContact C-N 3.32Å; S58-L60 PolarHBondContact O-N 2.97Å; S58-I61 PolarHBondContact O-N 3.02Å; S58-V62 WeakPolarHBondContact O-CB 3.45Å; S58-V62 VanDerWaalsContact O-CG2 3.25Å; S58-V62 WeakPolarHBondContact O-CG2 3.43Å; S58-V62 PolarHBondContact O-N 3.28Å; S58-A90 WeakPolarHBondContact CB-O 3.3Å; S58-A90 PolarHBondContact OG-O 3.28Å; S58-I94 WeakPolarHBondContact OG-CG1 3.16Å
59	S	98.3	Very high	97.8	Very high	80 Å²	80	49.5 Å²	49.5	56%	0.559	28%	0.279	S	S	*	.	H	α-helix	trans	-57.2	-43.4	177.7	-60.2	0	0	0	0	112.4	D55 E56 M57 A63	D55-S59 WeakPolarHBondContact O-CB 3.19Å; D55-S59 PolarHBondContact O-N 3.45Å; D55-S59 PolarHBondContact O-OG 3.43Å; E56-S59 PolarHBondContact O-N 3.26Å; M57-S59 PolarHBondContact O-N 2.92Å; S59-A63 VanDerWaalsContact O-CB 3.29Å; S59-A63 WeakPolarHBondContact O-CB 3.48Å; S59-A63 PolarHBondContact O-N 2.75Å
60	L	97.9	Very high	97.7	Very high	110 Å²	110	53.5 Å²	53.5	58%	0.576	31%	0.307	S	S	*	.	H	α-helix	trans	-65.7	-44.1	177.3	-70.2	174.1	0	0	0	112.5	E56 M57 S58 Q64	E56-L60 WeakPolarHBondContact O-CG 3.48Å; E56-L60 PolarHBondContact O-N 3.48Å; M57-L60 PolarHBondContact O-N 2.87Å; S58-L60 VanDerWaalsContact C-N 3.32Å; S58-L60 PolarHBondContact O-N 2.97Å; L60-Q64 WeakPolarHBondContact O-CB 3.21Å; L60-Q64 VanDerWaalsContact O-CG 3.27Å; L60-Q64 WeakPolarHBondContact O-CG 3.25Å; L60-Q64 PolarHBondContact O-N 2.65Å; L60-Q64 PolarHBondContact O-NE2 3.31Å
61	I	98.4	Very high	97.6	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-44.3	-179.7	-63.4	-68.7	0	0	0	110.3	I47 L49 M57 S58 A63 Q64 L65 I94	I47-I61 HydrophobicContact CG2-CD1 3.26Å; I47-I61 HydrophobicContact CG2-CG2 4.33Å; L49-I61 HydrophobicContact CB-CD1 4.32Å; M57-I61 HydrophobicContact CG-CG1 4.32Å; M57-I61 VanDerWaalsContact O-CG1 3.25Å; M57-I61 WeakPolarHBondContact O-CG1 3Å; M57-I61 PolarHBondContact O-N 3.28Å; M57-I61 HydrophobicContact SD-CD1 4.43Å; M57-I61 HydrophobicContact SD-CG1 4.2Å; S58-I61 PolarHBondContact O-N 3.02Å; I61-A63 PolarHBondContact O-N 2.88Å; I61-Q64 PolarHBondContact O-N 3.13Å; I61-L65 HydrophobicContact CG2-CD1 3.93Å; I61-L65 HydrophobicContact CG2-CG 4.38Å; I61-L65 VanDerWaalsContact O-CG 3.28Å; I61-L65 WeakPolarHBondContact O-CG 3.47Å; I61-L65 PolarHBondContact O-N 3.31Å; I61-I94 HydrophobicContact CB-CD1 4.28Å; I61-I94 HydrophobicContact CB-CG1 4.29Å; I61-I94 HydrophobicContact CG1-CD1 4.45Å; I61-I94 HydrophobicContact CG2-CD1 4.34Å; I61-I94 HydrophobicContact CG2-CG1 4.2Å; I61-I94 HydrophobicContact CG2-CG2 3.76Å
62	V	98.5	Very high	97.4	Very high	31 Å²	31	57.4 Å²	57.4	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-46.3	176.3	171	0	0	0	0	110.7	S58 Q64 L65 L66 I94 T97	S58-V62 WeakPolarHBondContact O-CB 3.45Å; S58-V62 VanDerWaalsContact O-CG2 3.25Å; S58-V62 WeakPolarHBondContact O-CG2 3.43Å; S58-V62 PolarHBondContact O-N 3.28Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 3.29Å; V62-L65 PolarHBondContact O-N 2.8Å; V62-L66 HydrophobicContact CG1-CD1 3.99Å; V62-L66 HydrophobicContact CG1-CG 4.45Å; V62-L66 WeakPolarHBondContact O-CG 3.27Å; V62-L66 PolarHBondContact O-N 3.36Å; V62-I94 HydrophobicContact CG2-CG1 4.49Å; V62-T97 HydrophobicContact CG1-CG2 4.15Å; V62-T97 HydrophobicContact CG2-CG2 4.45Å; V62-T97 WeakPolarHBondContact CG2-OG1 3.3Å
63	A	98.3	Very high	97.1	Very high	56 Å²	56	57.2 Å²	57.2	46%	0.463	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-43.2	176.5	0	0	0	0	0	112.2	S59 I61 F67	S59-A63 VanDerWaalsContact O-CB 3.29Å; S59-A63 WeakPolarHBondContact O-CB 3.48Å; S59-A63 PolarHBondContact O-N 2.75Å; I61-A63 PolarHBondContact O-N 2.88Å; A63-F67 VanDerWaalsContact O-CB 3.23Å; A63-F67 WeakPolarHBondContact O-CB 3.25Å; A63-F67 PolarHBondContact O-N 3.17Å
64	Q	98.1	Very high	96.8	Very high	47 Å²	47	62.8 Å²	62.8	22%	0.22	34%	0.344	C	S	.	.	H	α-helix	trans	-63.4	-44	176.4	-74.7	169.8	83.7	0	0	112	L42 I47 L60 I61 V62 F67 L68	L42-Q64 HydrophobicContact CD1-CB 3.99Å; L42-Q64 HydrophobicContact CD1-CG 3.95Å; L42-Q64 HydrophobicContact CD2-CG 4.05Å; I47-Q64 HydrophobicContact CD1-CB 3.73Å; I47-Q64 HydrophobicContact CG1-CB 4.08Å; L60-Q64 WeakPolarHBondContact O-CB 3.21Å; L60-Q64 VanDerWaalsContact O-CG 3.27Å; L60-Q64 WeakPolarHBondContact O-CG 3.25Å; L60-Q64 PolarHBondContact O-N 2.65Å; L60-Q64 PolarHBondContact O-NE2 3.31Å; I61-Q64 PolarHBondContact O-N 3.13Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 3.29Å; Q64-F67 PolarHBondContact O-N 2.87Å; Q64-L68 WeakPolarHBondContact O-CB 3.29Å; Q64-L68 VanDerWaalsContact O-CG 3.27Å; Q64-L68 WeakPolarHBondContact O-CG 3.49Å; Q64-L68 PolarHBondContact O-N 3.16Å
65	L	97.8	Very high	96.7	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-47.9	177.9	-72.9	168.6	0	0	0	111.6	I47 I61 V62 L68 Q69 V77 I79 T97 I98 I101	I47-L65 HydrophobicContact CD1-CD2 3.54Å; I47-L65 HydrophobicContact CD1-CG 3.76Å; I61-L65 HydrophobicContact CG2-CD1 3.93Å; I61-L65 HydrophobicContact CG2-CG 4.38Å; I61-L65 VanDerWaalsContact O-CG 3.28Å; I61-L65 WeakPolarHBondContact O-CG 3.47Å; I61-L65 PolarHBondContact O-N 3.31Å; V62-L65 PolarHBondContact O-N 2.8Å; L65-L68 PolarHBondContact O-N 2.79Å; L65-Q69 WeakPolarHBondContact O-CB 3.38Å; L65-Q69 PolarHBondContact O-N 3.17Å; L65-V77 HydrophobicContact CD2-CG1 4.22Å; L65-I79 HydrophobicContact CD2-CD1 4.17Å; L65-T97 HydrophobicContact CB-CG2 3.88Å; L65-T97 HydrophobicContact CD1-CG2 3.79Å; L65-I98 HydrophobicContact CD1-CG1 3.83Å; L65-I101 HydrophobicContact CB-CD1 4.11Å; L65-I101 HydrophobicContact CD2-CD1 3.75Å; L65-I101 HydrophobicContact CG-CD1 4.45Å
66	L	97.4	Very high	96.6	Very high	79 Å²	79	64.3 Å²	64.3	41%	0.414	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-37.9	177.7	-65.4	176.5	0	0	0	112	V62 Q69 S70 T97	V62-L66 HydrophobicContact CG1-CD1 3.99Å; V62-L66 HydrophobicContact CG1-CG 4.45Å; V62-L66 WeakPolarHBondContact O-CG 3.27Å; V62-L66 PolarHBondContact O-N 3.36Å; L66-Q69 PolarHBondContact O-N 2.88Å; L66-S70 PolarHBondContact O-N 3.09Å; L66-T97 HydrophobicContact CD2-CG2 4.41Å; L66-T97 HydrophobicContact CG-CG2 4.46Å
67	F	97.5	Very high	96.6	Very high	91 Å²	91	58.2 Å²	58.2	40%	0.399	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-50.3	173.3	171.8	-103.8	0	0	0	111.4	L42 A63 Q64 Q69 S70 K71	L42-F67 HydrophobicContact CD2-CD1 4.22Å; L42-F67 HydrophobicContact CD2-CE1 4.3Å; L42-F67 HydrophobicContact CG-CD1 4.5Å; L42-F67 HydrophobicContact CG-CE1 4.49Å; A63-F67 VanDerWaalsContact O-CB 3.23Å; A63-F67 WeakPolarHBondContact O-CB 3.25Å; A63-F67 PolarHBondContact O-N 3.17Å; Q64-F67 PolarHBondContact O-N 2.87Å; F67-Q69 VanDerWaalsContact C-N 3.29Å; F67-Q69 PolarHBondContact O-N 2.86Å; F67-S70 PolarHBondContact O-N 3.47Å; F67-S70 VanDerWaalsContact O-N 3.12Å; F67-S70 PolarHBondContact O-OG 3.24Å; F67-K71 HydrophobicContact CE1-CG 4.21Å; F67-K71 HydrophobicContact CE2-CD 4.47Å; F67-K71 VanDerWaalsContact CE2-CE 3.43Å; F67-K71 HydrophobicContact CE2-CG 4.24Å; F67-K71 HydrophobicContact CZ-CD 4.35Å; F67-K71 HydrophobicContact CZ-CG 4.02Å; F67-K71 WeakPolarHBondContact O-CG 3.4Å; F67-K71 PolarHBondContact O-N 2.87Å; F67-K71 VanDerWaalsContact O-N 3.07Å
68	L	97.3	Very high	96.6	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-36	179.2	-69.3	-177.8	0	0	0	112.2	L42 R45 I47 Q64 L65 K71 S72 V77	L42-L68 HydrophobicContact CD1-CD1 3.88Å; L42-L68 HydrophobicContact CD1-CD2 3.91Å; L42-L68 HydrophobicContact CD1-CG 3.91Å; L42-L68 HydrophobicContact CG-CD2 4.34Å; L42-L68 WeakPolarHBondContact O-CD2 3.28Å; R45-L68 HydrophobicContact CB-CD1 4.11Å; R45-L68 HydrophobicContact CB-CD2 4.24Å; R45-L68 HydrophobicContact CG-CD2 4.1Å; R45-L68 PolarHBondContact NH1-O 3.33Å; R45-L68 PolarHBondContact NH2-O 2.79Å; I47-L68 HydrophobicContact CD1-CD1 3.82Å; I47-L68 HydrophobicContact CG1-CD1 3.91Å; Q64-L68 WeakPolarHBondContact O-CB 3.29Å; Q64-L68 VanDerWaalsContact O-CG 3.27Å; Q64-L68 WeakPolarHBondContact O-CG 3.49Å; Q64-L68 PolarHBondContact O-N 3.16Å; L65-L68 PolarHBondContact O-N 2.79Å; L68-K71 PolarHBondContact O-N 3.08Å; L68-S72 PolarHBondContact O-N 3.42Å; L68-S72 VanDerWaalsContact O-N 3.11Å; L68-V77 HydrophobicContact CB-CG2 4.04Å; L68-V77 HydrophobicContact CD1-CB 4.38Å; L68-V77 HydrophobicContact CD1-CG1 3.68Å; L68-V77 HydrophobicContact CD1-CG2 3.82Å
69	Q	95.6	Very high	96.6	Very high	40 Å²	40	58.2 Å²	58.2	19%	0.187	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-52	170.6	178.6	-168.6	-32.1	0	0	110.4	L65 L66 F67 K71 S72 H73 I101 I105	L65-Q69 WeakPolarHBondContact O-CB 3.38Å; L65-Q69 PolarHBondContact O-N 3.17Å; L66-Q69 PolarHBondContact O-N 2.88Å; F67-Q69 VanDerWaalsContact C-N 3.29Å; F67-Q69 PolarHBondContact O-N 2.86Å; Q69-K71 PolarHBondContact O-N 3.01Å; Q69-K71 VanDerWaalsContact O-N 3.16Å; Q69-S72 CarbonylContact O-C 3.59Å; Q69-S72 PolarHBondContact O-N 3.23Å; Q69-S72 VanDerWaalsContact O-N 3.1Å; Q69-H73 VanDerWaalsContact CG-CD2 3.42Å; Q69-H73 WeakPolarHBondContact CG-CD2 3.42Å; Q69-H73 PolarHBondContact O-CD2 3.48Å; Q69-H73 PolarHBondContact O-NE2 3.49Å; Q69-I101 HydrophobicContact CB-CG2 4.49Å; Q69-I105 HydrophobicContact CB-CD1 3.75Å; Q69-I105 HydrophobicContact CG-CD1 3.87Å
70	S	95.4	Very high	96.7	Very high	85 Å²	85	57.5 Å²	57.5	59%	0.594	30%	0.303	S	S	*	.	H	α-helix	trans	-58.8	-30.9	-179.6	78.7	0	0	0	0	113.5	L66 F67	L66-S70 PolarHBondContact O-N 3.09Å; F67-S70 PolarHBondContact O-N 3.47Å; F67-S70 VanDerWaalsContact O-N 3.12Å; F67-S70 PolarHBondContact O-OG 3.24Å
71	K	95.2	Very high	96.7	Very high	144 Å²	144	52.3 Å²	52.3	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-74.9	-36.8	176.8	-70.2	-66.2	-174.7	-179.7	0	113.3	F67 L68 Q69	F67-K71 HydrophobicContact CE1-CG 4.21Å; F67-K71 HydrophobicContact CE2-CD 4.47Å; F67-K71 VanDerWaalsContact CE2-CE 3.43Å; F67-K71 HydrophobicContact CE2-CG 4.24Å; F67-K71 HydrophobicContact CZ-CD 4.35Å; F67-K71 HydrophobicContact CZ-CG 4.02Å; F67-K71 WeakPolarHBondContact O-CG 3.4Å; F67-K71 PolarHBondContact O-N 2.87Å; F67-K71 VanDerWaalsContact O-N 3.07Å; L68-K71 PolarHBondContact O-N 3.08Å; Q69-K71 PolarHBondContact O-N 3.01Å; Q69-K71 VanDerWaalsContact O-N 3.16Å
72	S	93.6	Very high	96.7	Very high	23 Å²	23	55.2 Å²	55.2	16%	0.161	29%	0.291	C	S	.	.			trans	-164.3	128.9	175.7	178.2	0	0	0	0	110.7	R45 L68 Q69 T74 K75 I105	R45-S72 PolarHBondContact NH2-O 3.26Å; L68-S72 PolarHBondContact O-N 3.42Å; L68-S72 VanDerWaalsContact O-N 3.11Å; Q69-S72 CarbonylContact O-C 3.59Å; Q69-S72 PolarHBondContact O-N 3.23Å; Q69-S72 VanDerWaalsContact O-N 3.1Å; S72-T74 VanDerWaalsContact C-N 3.35Å; S72-T74 PolarHBondContact OG-N 2.98Å; S72-T74 PolarHBondContact OG-OG1 3.28Å; S72-K75 WeakPolarHBondContact OG-CG 3.36Å; S72-K75 PolarHBondContact OG-N 2.98Å; S72-I105 WeakPolarHBondContact O-CD1 3.38Å
73	H	91.3	Very high	96.7	Very high	77 Å²	77	53.8 Å²	53.8	36%	0.356	28%	0.282	S	S	.	.	S	Bend	trans	-84.6	-2.3	175.2	-64	158	0	0	0	114.2	Q69 R104 I105	Q69-H73 VanDerWaalsContact CG-CD2 3.42Å; Q69-H73 WeakPolarHBondContact CG-CD2 3.42Å; Q69-H73 PolarHBondContact O-CD2 3.48Å; Q69-H73 PolarHBondContact O-NE2 3.49Å; H73-R104 HydrophobicContact CB-CB 4.43Å; H73-R104 CarbonylContact O-C 3.54Å; H73-R104 WeakPolarHBondContact O-CB 3.35Å; H73-I105 VanDerWaalsContact O-CG1 3.31Å; H73-I105 WeakPolarHBondContact O-CG1 3.23Å
74	T	91.6	Very high	96.7	Very high	119 Å²	119	53.9 Å²	53.9	73%	0.73	28%	0.278	S	S	*	.	S	Bend	trans	-120.2	-28.6	-173.8	55.2	0	0	0	0	113.1	S72	S72-T74 VanDerWaalsContact C-N 3.35Å; S72-T74 PolarHBondContact OG-N 2.98Å; S72-T74 PolarHBondContact OG-OG1 3.28Å
75	K	95.6	Very high	96.7	Very high	126 Å²	126	51.8 Å²	51.8	55%	0.548	27%	0.269	S	S	.	.	S	Bend	trans	-72.1	137.3	-179.3	-70	-177.2	179.4	-170.7	0	111	R45 S72 I105	R45-K75 PolarHBondContact NE-O 3.46Å; R45-K75 PolarHBondContact NH2-O 3.26Å; S72-K75 WeakPolarHBondContact OG-CG 3.36Å; S72-K75 PolarHBondContact OG-N 2.98Å; K75-I105 WeakPolarHBondContact O-CG2 3.4Å
76	P	97.1	Very high	96.7	Very high	55 Å²	55	53.6 Å²	53.6	36%	0.357	29%	0.288	S	S	.	.			trans	-62.2	156.6	179.9	28.5	-36.3	0	0	0	111.9	R45 L106	R45-P76 VanDerWaalsContact CD-O 3.3Å; R45-P76 WeakPolarHBondContact CD-O 3.43Å; R45-P76 PolarHBondContact NE-O 3.32Å; P76-L106 CarbonylContact C-O 3.58Å; P76-L106 VanDerWaalsContact CA-O 3.27Å; P76-L106 WeakPolarHBondContact CA-O 3.49Å; P76-L106 HydrophobicContact CB-CB 4.15Å; P76-L106 HydrophobicContact CB-CD2 3.91Å
77	V	98.1	Very high	96.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.3	171.5	173.7	0	0	0	0	108.2	R45 I47 L65 L68 I79 I105 L106 I107 A108	R45-V77 HydrophobicContact CB-CG2 4.44Å; I47-V77 HydrophobicContact CD1-CG1 3.99Å; I47-V77 HydrophobicContact CG1-CG1 4.36Å; L65-V77 HydrophobicContact CD2-CG1 4.22Å; L68-V77 HydrophobicContact CB-CG2 4.04Å; L68-V77 HydrophobicContact CD1-CB 4.38Å; L68-V77 HydrophobicContact CD1-CG1 3.68Å; L68-V77 HydrophobicContact CD1-CG2 3.82Å; V77-I79 HydrophobicContact CG1-CG1 4.43Å; V77-I105 HydrophobicContact CB-CG2 4.28Å; V77-I105 HydrophobicContact CG2-CG2 3.72Å; V77-L106 PolarHBondContact N-O 3.15Å; V77-I107 HydrophobicContact CB-CD1 3.83Å; V77-I107 HydrophobicContact CG1-CD1 4.46Å; V77-I107 HydrophobicContact CG2-CD1 4.43Å; V77-I107 WeakPolarHBondContact O-CA 3.44Å; V77-A108 PolarHBondContact O-N 2.85Å
78	H	98.2	Very high	96.8	Very high	52 Å²	52	49.2 Å²	49.2	24%	0.241	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.5	-179.1	-65.2	-109.6	0	0	0	109.5	R45 I46 I47 Y80 A108 W110	R45-H78 PolarHBondContact O-N 3.13Å; I46-H78 CarbonylContact C-O 3.59Å; I46-H78 WeakPolarHBondContact CA-O 3.38Å; I46-H78 HydrophobicContact CG1-CB 4.1Å; I47-H78 PolarHBondContact N-O 2.9Å; H78-Y80 HydrophobicContact CB-CD2 4.38Å; H78-Y80 HydrophobicContact CB-CE2 3.92Å; H78-A108 CarbonylContact C-O 3.6Å; H78-A108 WeakPolarHBondContact CA-O 3.34Å; H78-W110 AromaticContact ND1-CE2 3.86Å; H78-W110 AromaticContact ND1-NE1 3.2Å; H78-W110 PolarHBondContact ND1-NE1 3.2Å
79	I	98.5	Very high	96.8	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111	178	-52.5	178.9	0	0	0	108.3	I47 L49 L65 V77 I81 I98 I107 A108 T109 W110	I47-I79 WeakPolarHBondContact O-CA 3.37Å; L49-I79 HydrophobicContact CB-CG2 4.41Å; L65-I79 HydrophobicContact CD2-CD1 4.17Å; V77-I79 HydrophobicContact CG1-CG1 4.43Å; I79-I81 HydrophobicContact CG2-CD1 4.4Å; I79-I81 HydrophobicContact CG2-CG1 3.95Å; I79-I98 HydrophobicContact CD1-CD1 3.62Å; I79-I98 HydrophobicContact CD1-CG1 3.99Å; I79-I107 HydrophobicContact CD1-CG2 3.6Å; I79-I107 HydrophobicContact CG1-CG2 4.13Å; I79-A108 PolarHBondContact N-O 3.25Å; I79-T109 CarbonylContact O-C 3.55Å; I79-T109 WeakPolarHBondContact O-CA 3.23Å; I79-W110 PolarHBondContact O-N 3.5Å
80	Y	98.5	Very high	96.9	Very high	65 Å²	65	51.9 Å²	51.9	26%	0.255	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.8	175	-73	-109.4	0	0	0	109.3	I46 I47 L49 M50 H78 W110 I112	I46-Y80 HydrophobicContact CG1-CE2 4.33Å; I46-Y80 HydrophobicContact CG2-CD2 3.62Å; I46-Y80 HydrophobicContact CG2-CE2 3.78Å; I47-Y80 PolarHBondContact O-N 3.32Å; L49-Y80 PolarHBondContact N-O 2.91Å; M50-Y80 VanDerWaalsContact CE-O 3.31Å; M50-Y80 WeakPolarHBondContact CE-O 3.49Å; H78-Y80 HydrophobicContact CB-CD2 4.38Å; H78-Y80 HydrophobicContact CB-CE2 3.92Å; Y80-W110 CarbonylContact C-O 3.58Å; Y80-W110 WeakPolarHBondContact CA-O 3.41Å; Y80-W110 HydrophobicContact CD1-CB 3.79Å; Y80-W110 HydrophobicContact CD1-CG 4.3Å; Y80-W110 HydrophobicContact CD2-CB 4.4Å; Y80-W110 HydrophobicContact CD2-CG 4.42Å; Y80-W110 HydrophobicContact CE1-CB 4.02Å; Y80-W110 HydrophobicContact CE1-CD2 4.42Å; Y80-W110 HydrophobicContact CE1-CG 4.1Å; Y80-W110 HydrophobicContact CE2-CG 4.22Å; Y80-W110 HydrophobicContact CG-CB 4.01Å; Y80-W110 HydrophobicContact CG-CG 4.47Å; Y80-I112 HydrophobicContact CD1-CD1 4.16Å; Y80-I112 HydrophobicContact CD1-CG2 3.98Å
81	I	98.7	Very high	97.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.4	-169.4	-58.2	173.6	0	0	0	108.7	L49 I79 T109 W110 I112 A115 A119 L122 L123	L49-I81 HydrophobicContact CB-CG1 4.43Å; L49-I81 WeakPolarHBondContact O-CA 3.47Å; I79-I81 HydrophobicContact CG2-CD1 4.4Å; I79-I81 HydrophobicContact CG2-CG1 3.95Å; I81-T109 HydrophobicContact CD1-CG2 4.46Å; I81-W110 PolarHBondContact N-O 2.88Å; I81-I112 PolarHBondContact O-N 3.29Å; I81-A115 HydrophobicContact CG2-CB 4.05Å; I81-A119 HydrophobicContact CG2-CB 3.97Å; I81-L122 HydrophobicContact CD1-CB 4.36Å; I81-L123 HydrophobicContact CD1-CB 4Å; I81-L123 HydrophobicContact CD1-CD1 4.42Å
82	N	98.6	Very high	97.2	Very high	62 Å²	62	42 Å²	42	33%	0.332	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	83.7	164.8	-172	2.7	0	0	0	108.6	L49 M50 G51 I112 Q114	L49-N82 PolarHBondContact O-N 3.45Å; M50-N82 WeakPolarHBondContact CA-O 3.39Å; M50-N82 HydrophobicContact SD-CB 3.38Å; M50-N82 WeakPolarHBondContact SD-CB 3.46Å; G51-N82 PolarHBondContact N-O 3.34Å; N82-I112 WeakPolarHBondContact CA-O 3.5Å; N82-I112 HydrophobicContact CB-CG1 4.07Å; N82-I112 WeakPolarHBondContact CB-O 3.31Å; N82-I112 PolarHBondContact OD1-O 3.32Å; N82-Q114 CarbonylContact C-O 3.51Å; N82-Q114 VanDerWaalsContact CA-O 3.27Å; N82-Q114 WeakPolarHBondContact CA-O 3.29Å; N82-Q114 PolarHBondContact OD1-N 3.17Å
83	S	98.6	Very high	97.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	135.9	-169.9	178.1	0	0	0	0	112.6	L49 G51 G85 Q114 S116 A119	L49-S83 VanDerWaalsContact CD2-CB 3.41Å; G51-S83 WeakPolarHBondContact O-CB 3.32Å; G51-S83 PolarHBondContact O-OG 3.47Å; S83-G85 PolarHBondContact O-N 2.99Å; S83-G85 PolarHBondContact OG-N 3.06Å; S83-G85 VanDerWaalsContact OG-N 3.13Å; S83-Q114 PolarHBondContact N-O 3.4Å; S83-S116 PolarHBondContact O-N 2.89Å; S83-A119 WeakPolarHBondContact O-CB 3.38Å
84	P	98.3	Very high	97.8	Very high	58 Å²	58	38.6 Å²	38.6	38%	0.377	23%	0.23	S	C	.	.			trans	-74.5	0.7	171.6	34.2	-36.1	0	0	0	112.9	P52 S116	P52-P84 HydrophobicContact CG-CG 4.31Å; P84-S116 CarbonylContact C-O 3.58Å
85	G	98	Very high	98.2	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.031	20%	0.196	C	C	.	.			trans	91.8	-157.9	-169	0	0	0	0	0	111.7	P52 I53 S83 S116	P52-G85 CarbonylContact C-O 3.54Å; P52-G85 WeakPolarHBondContact CA-O 3.37Å; I53-G85 PolarHBondContact N-O 2.75Å; S83-G85 PolarHBondContact O-N 2.99Å; S83-G85 PolarHBondContact OG-N 3.06Å; S83-G85 VanDerWaalsContact OG-N 3.13Å; G85-S116 WeakPolarHBondContact CA-O 3.17Å; G85-S116 PolarHBondContact N-O 3.05Å; G85-S116 VanDerWaalsContact N-O 3.16Å
86	G	98	Very high	98.3	Very high	38 Å²	38	31.6 Å²	31.6	39%	0.392	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	162.2	-144.1	-178.6	0	0	0	0	0	112.6	I53 V88	I53-G86 CarbonylContact O-C 3.55Å; I53-G86 WeakPolarHBondContact O-CA 3.47Å; G86-V88 PolarHBondContact O-N 3.09Å
87	S	97.7	Very high	98.4	Very high	44 Å²	44	30 Å²	30	31%	0.308	18%	0.183	S	C	.	.			trans	-59.5	129.5	179.7	172.7	0	0	0	0	111.2	I53 T89 G91	I53-S87 PolarHBondContact O-N 3.29Å; S87-T89 PolarHBondContact OG-OG1 3.17Å; S87-T89 VanDerWaalsContact OG-OG1 3.08Å; S87-G91 PolarHBondContact O-N 2.92Å
88	V	98.1	Very high	98.4	Very high	34 Å²	34	30.1 Å²	30.1	21%	0.206	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-46	-179.9	174.8	0	0	0	0	110.8	G86 A90 G91 L92 M118 P144 V165 I169	G86-V88 PolarHBondContact O-N 3.09Å; V88-A90 PolarHBondContact O-N 3.39Å; V88-G91 PolarHBondContact O-N 3.4Å; V88-L92 HydrophobicContact CG1-CD1 3.85Å; V88-L92 HydrophobicContact CG1-CG 4.21Å; V88-L92 WeakPolarHBondContact O-CB 3.44Å; V88-L92 VanDerWaalsContact O-CG 3.32Å; V88-L92 WeakPolarHBondContact O-CG 3.38Å; V88-L92 PolarHBondContact O-N 3.4Å; V88-M118 HydrophobicContact CB-SD 4.4Å; V88-M118 HydrophobicContact CG1-SD 4.19Å; V88-M118 HydrophobicContact CG2-CG 4.34Å; V88-M118 HydrophobicContact CG2-SD 4.28Å; V88-P144 HydrophobicContact CG2-CB 4.36Å; V88-V165 HydrophobicContact CG1-CG1 3.71Å; V88-I169 HydrophobicContact CG1-CD1 3.83Å; V88-I169 HydrophobicContact CG1-CG1 4.47Å; V88-I169 HydrophobicContact CG2-CD1 4.26Å
89	T	98.1	Very high	98.3	Very high	98 Å²	98	29.1 Å²	29.1	60%	0.601	18%	0.179	S	C	*	.	H	α-helix	trans	-64	-43.2	-179.5	50.7	0	0	0	0	111.5	S87 G91 L92 G93	S87-T89 PolarHBondContact OG-OG1 3.17Å; S87-T89 VanDerWaalsContact OG-OG1 3.08Å; T89-G91 VanDerWaalsContact C-N 3.34Å; T89-G91 PolarHBondContact O-N 3.31Å; T89-L92 PolarHBondContact O-N 3.18Å; T89-G93 PolarHBondContact O-N 2.91Å
90	A	98.4	Very high	98.3	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-46.7	175	0	0	0	0	0	111.5	I53 D55 S58 V88 G93 I94	I53-A90 HydrophobicContact CG2-CB 3.89Å; D55-A90 WeakPolarHBondContact OD1-CB 3.41Å; S58-A90 WeakPolarHBondContact CB-O 3.3Å; S58-A90 PolarHBondContact OG-O 3.28Å; V88-A90 PolarHBondContact O-N 3.39Å; A90-G93 PolarHBondContact O-N 2.93Å; A90-I94 PolarHBondContact O-N 3.27Å
91	G	98.5	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-35.9	178	0	0	0	0	0	113.3	S87 V88 T89 G93 I94 Y95	S87-G91 PolarHBondContact O-N 2.92Å; V88-G91 PolarHBondContact O-N 3.4Å; T89-G91 VanDerWaalsContact C-N 3.34Å; T89-G91 PolarHBondContact O-N 3.31Å; G91-G93 VanDerWaalsContact C-N 3.35Å; G91-I94 PolarHBondContact O-N 2.79Å; G91-Y95 WeakPolarHBondContact O-CB 3.33Å; G91-Y95 PolarHBondContact O-N 2.91Å
92	L	98.6	Very high	97.7	Very high	20 Å²	20	36.8 Å²	36.8	11%	0.105	21%	0.21	C	C	.	.	H	α-helix	trans	-65.7	-36.3	174.3	-73.2	175.4	0	0	0	111.9	V88 T89 I94 Y95 D96 M118 L172	V88-L92 HydrophobicContact CG1-CD1 3.85Å; V88-L92 HydrophobicContact CG1-CG 4.21Å; V88-L92 WeakPolarHBondContact O-CB 3.44Å; V88-L92 VanDerWaalsContact O-CG 3.32Å; V88-L92 WeakPolarHBondContact O-CG 3.38Å; V88-L92 PolarHBondContact O-N 3.4Å; T89-L92 PolarHBondContact O-N 3.18Å; L92-I94 PolarHBondContact O-N 3.06Å; L92-Y95 WeakPolarHBondContact O-CB 3.44Å; L92-Y95 PolarHBondContact O-N 2.56Å; L92-D96 PolarHBondContact O-N 2.95Å; L92-M118 HydrophobicContact CD2-CE 4.42Å; L92-M118 HydrophobicContact CG-CE 4.22Å; L92-L172 HydrophobicContact CD2-CD1 3.64Å
93	G	98.5	Very high	97.4	Very high	28 Å²	28	39.2 Å²	39.2	29%	0.289	23%	0.229	S	C	.	.	H	α-helix	trans	-61.3	-41.6	172.7	0	0	0	0	0	113.2	T89 A90 G91 T97	T89-G93 PolarHBondContact O-N 2.91Å; A90-G93 PolarHBondContact O-N 2.93Å; G91-G93 VanDerWaalsContact C-N 3.35Å; G93-T97 WeakPolarHBondContact O-CB 3.43Å; G93-T97 PolarHBondContact O-N 2.88Å; G93-T97 VanDerWaalsContact O-N 3.17Å; G93-T97 PolarHBondContact O-OG1 2.86Å
94	I	98.7	Very high	97	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-47.8	172.5	-60.4	169.5	0	0	0	109.9	L49 I53 S58 I61 V62 A90 G91 L92 D96 T97 I98 L122	L49-I94 HydrophobicContact CD1-CD1 4.3Å; I53-I94 HydrophobicContact CG2-CD1 4.2Å; S58-I94 WeakPolarHBondContact OG-CG1 3.16Å; I61-I94 HydrophobicContact CB-CD1 4.28Å; I61-I94 HydrophobicContact CB-CG1 4.29Å; I61-I94 HydrophobicContact CG1-CD1 4.45Å; I61-I94 HydrophobicContact CG2-CD1 4.34Å; I61-I94 HydrophobicContact CG2-CG1 4.2Å; I61-I94 HydrophobicContact CG2-CG2 3.76Å; V62-I94 HydrophobicContact CG2-CG1 4.49Å; A90-I94 PolarHBondContact O-N 3.27Å; G91-I94 PolarHBondContact O-N 2.79Å; L92-I94 PolarHBondContact O-N 3.06Å; I94-D96 PolarHBondContact O-N 2.98Å; I94-T97 PolarHBondContact O-N 3.13Å; I94-I98 HydrophobicContact CG2-CD1 3.81Å; I94-I98 HydrophobicContact CG2-CG1 4.33Å; I94-I98 WeakPolarHBondContact O-CG1 3.32Å; I94-I98 PolarHBondContact O-N 3.37Å; I94-L122 HydrophobicContact CB-CD1 4.25Å; I94-L122 HydrophobicContact CB-CD2 4.02Å; I94-L122 HydrophobicContact CD1-CD1 4.04Å; I94-L122 HydrophobicContact CG2-CD1 4.03Å; I94-L122 HydrophobicContact CG2-CD2 3.8Å
95	Y	98.7	Very high	96.8	Very high	5 Å²	5	45 Å²	45	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-55.9	-51.2	-178.9	171.7	-88.3	0	0	0	111.6	G91 L92 T97 I98 Q99 L121 C125 L172 H176	G91-Y95 WeakPolarHBondContact O-CB 3.33Å; G91-Y95 PolarHBondContact O-N 2.91Å; L92-Y95 WeakPolarHBondContact O-CB 3.44Å; L92-Y95 PolarHBondContact O-N 2.56Å; Y95-T97 VanDerWaalsContact C-N 3.31Å; Y95-T97 PolarHBondContact O-N 3.03Å; Y95-I98 WeakPolarHBondContact O-CB 3.47Å; Y95-I98 PolarHBondContact O-N 3.37Å; Y95-Q99 HydrophobicContact CD1-CG 4.15Å; Y95-Q99 HydrophobicContact CE1-CG 3.63Å; Y95-Q99 HydrophobicContact CE2-CG 4.14Å; Y95-Q99 WeakPolarHBondContact O-CG 3.38Å; Y95-Q99 PolarHBondContact O-N 2.95Å; Y95-L121 HydrophobicContact CD2-CG 4.33Å; Y95-C125 HydrophobicContact CD2-CB 3.47Å; Y95-C125 VanDerWaalsContact CD2-CB 3.47Å; Y95-C125 HydrophobicContact CE2-CB 3.4Å; Y95-L172 HydrophobicContact CD1-CD1 4.23Å; Y95-L172 HydrophobicContact CE1-CD1 3.98Å; Y95-L172 HydrophobicContact CE1-CD2 3.93Å; Y95-L172 HydrophobicContact CE2-CD1 4.37Å; Y95-L172 WeakPolarHBondContact OH-CD2 3.49Å; Y95-H176 AromaticContact CE2-CD2 3.94Å; Y95-H176 AromaticContact CE2-NE2 3.26Å; Y95-H176 VanDerWaalsContact CE2-NE2 3.26Å; Y95-H176 WeakPolarHBondContact CE2-NE2 3.44Å; Y95-H176 AromaticContact CZ-NE2 3.5Å; Y95-H176 PolarHBondContact OH-NE2 3.11Å
96	D	98.6	Very high	96.8	Very high	94 Å²	94	47.1 Å²	47.1	50%	0.503	25%	0.254	S	S	.	.	H	α-helix	trans	-65.3	-37.9	-178.9	-77	-22	0	0	0	111.2	L92 I94 I98 Q99 Y100	L92-D96 PolarHBondContact O-N 2.95Å; I94-D96 PolarHBondContact O-N 2.98Å; D96-I98 PolarHBondContact O-N 2.71Å; D96-Q99 PolarHBondContact O-N 2.92Å; D96-Y100 VanDerWaalsContact O-CB 3.23Å; D96-Y100 WeakPolarHBondContact O-CB 3.08Å; D96-Y100 PolarHBondContact O-N 2.75Å
97	T	98.3	Very high	96.8	Very high	21 Å²	21	45.3 Å²	45.3	13%	0.129	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-45.3	173.6	-56.7	0	0	0	0	111.1	V62 L65 L66 G93 I94 Y95 Q99 Y100 I101	V62-T97 HydrophobicContact CG1-CG2 4.15Å; V62-T97 HydrophobicContact CG2-CG2 4.45Å; V62-T97 WeakPolarHBondContact CG2-OG1 3.3Å; L65-T97 HydrophobicContact CB-CG2 3.88Å; L65-T97 HydrophobicContact CD1-CG2 3.79Å; L66-T97 HydrophobicContact CD2-CG2 4.41Å; L66-T97 HydrophobicContact CG-CG2 4.46Å; G93-T97 WeakPolarHBondContact O-CB 3.43Å; G93-T97 PolarHBondContact O-N 2.88Å; G93-T97 VanDerWaalsContact O-N 3.17Å; G93-T97 PolarHBondContact O-OG1 2.86Å; I94-T97 PolarHBondContact O-N 3.13Å; Y95-T97 VanDerWaalsContact C-N 3.31Å; Y95-T97 PolarHBondContact O-N 3.03Å; T97-Q99 PolarHBondContact O-N 2.96Å; T97-Y100 PolarHBondContact O-N 3.1Å; T97-I101 WeakPolarHBondContact O-CG2 3.4Å; T97-I101 PolarHBondContact O-N 3.23Å; T97-I101 VanDerWaalsContact O-N 3.15Å
98	I	98	Very high	96.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-50.9	174.6	-70.5	169.8	0	0	0	110	L65 I79 I94 Y95 D96 Y100 I101 K102 I107 L122	L65-I98 HydrophobicContact CD1-CG1 3.83Å; I79-I98 HydrophobicContact CD1-CD1 3.62Å; I79-I98 HydrophobicContact CD1-CG1 3.99Å; I94-I98 HydrophobicContact CG2-CD1 3.81Å; I94-I98 HydrophobicContact CG2-CG1 4.33Å; I94-I98 WeakPolarHBondContact O-CG1 3.32Å; I94-I98 PolarHBondContact O-N 3.37Å; Y95-I98 WeakPolarHBondContact O-CB 3.47Å; Y95-I98 PolarHBondContact O-N 3.37Å; D96-I98 PolarHBondContact O-N 2.71Å; I98-Y100 VanDerWaalsContact C-N 3.26Å; I98-Y100 PolarHBondContact O-N 3.02Å; I98-I101 WeakPolarHBondContact O-CG1 3.38Å; I98-I101 PolarHBondContact O-N 2.97Å; I98-K102 VanDerWaalsContact O-CB 3.23Å; I98-K102 WeakPolarHBondContact O-CB 3.25Å; I98-K102 PolarHBondContact O-N 2.94Å; I98-I107 HydrophobicContact CG2-CB 4.36Å; I98-I107 HydrophobicContact CG2-CG1 4.18Å; I98-I107 HydrophobicContact CG2-CG2 4.04Å; I98-L122 HydrophobicContact CD1-CD2 4.32Å
99	Q	97.7	Very high	96.8	Very high	31 Å²	31	41.7 Å²	41.7	15%	0.145	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-31.2	-179.1	-61.5	-45.1	-65.5	0	0	112.9	Y95 D96 T97 P103 C125	Y95-Q99 HydrophobicContact CD1-CG 4.15Å; Y95-Q99 HydrophobicContact CE1-CG 3.63Å; Y95-Q99 HydrophobicContact CE2-CG 4.14Å; Y95-Q99 WeakPolarHBondContact O-CG 3.38Å; Y95-Q99 PolarHBondContact O-N 2.95Å; D96-Q99 PolarHBondContact O-N 2.92Å; T97-Q99 PolarHBondContact O-N 2.96Å; Q99-P103 VanDerWaalsContact O-CD 3.26Å; Q99-P103 WeakPolarHBondContact O-CD 3.3Å; Q99-C125 PolarHBondContact NE2-O 3.22Å
100	Y	97.3	Very high	96.8	Very high	173 Å²	173	39.3 Å²	39.3	68%	0.678	19%	0.191	S	C	*	.	H	α-helix	trans	-67.9	-41.1	178.2	-178.5	-101.5	0	0	0	112.2	D96 T97 I98 P103	D96-Y100 VanDerWaalsContact O-CB 3.23Å; D96-Y100 WeakPolarHBondContact O-CB 3.08Å; D96-Y100 PolarHBondContact O-N 2.75Å; T97-Y100 PolarHBondContact O-N 3.1Å; I98-Y100 VanDerWaalsContact C-N 3.26Å; I98-Y100 PolarHBondContact O-N 3.02Å; Y100-P103 WeakPolarHBondContact O-CD 3.28Å
101	I	95.7	Very high	96.8	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-86.1	-26.1	-178.4	74	173.7	0	0	0	113.2	L65 Q69 T97 I98 P103 R104 I105 I107	L65-I101 HydrophobicContact CB-CD1 4.11Å; L65-I101 HydrophobicContact CD2-CD1 3.75Å; L65-I101 HydrophobicContact CG-CD1 4.45Å; Q69-I101 HydrophobicContact CB-CG2 4.49Å; T97-I101 WeakPolarHBondContact O-CG2 3.4Å; T97-I101 PolarHBondContact O-N 3.23Å; T97-I101 VanDerWaalsContact O-N 3.15Å; I98-I101 WeakPolarHBondContact O-CG1 3.38Å; I98-I101 PolarHBondContact O-N 2.97Å; I101-P103 VanDerWaalsContact C-N 3.35Å; I101-R104 PolarHBondContact O-N 3.31Å; I101-R104 VanDerWaalsContact O-N 3.08Å; I101-I105 HydrophobicContact CB-CD1 4.48Å; I101-I105 PolarHBondContact O-N 2.88Å; I101-I107 HydrophobicContact CD1-CD1 3.66Å; I101-I107 HydrophobicContact CG1-CD1 3.96Å; I101-I107 HydrophobicContact CG1-CG1 4.38Å
102	K	90	Very high	96.8	Very high	53 Å²	53	41.3 Å²	41.3	23%	0.23	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-36.6	-174.4	-166.3	171.6	81.2	-176.5	0	115.7	I98 R104 I105 I107 C125 T127	I98-K102 VanDerWaalsContact O-CB 3.23Å; I98-K102 WeakPolarHBondContact O-CB 3.25Å; I98-K102 PolarHBondContact O-N 2.94Å; K102-R104 PolarHBondContact O-N 3.43Å; K102-R104 VanDerWaalsContact O-N 3.11Å; K102-I105 CarbonylContact C-O 3.54Å; K102-I105 VanDerWaalsContact CA-O 3.28Å; K102-I105 WeakPolarHBondContact CA-O 3.27Å; K102-I105 PolarHBondContact O-N 3Å; K102-I107 HydrophobicContact CB-CG1 4.38Å; K102-I107 HydrophobicContact CG-CG1 4.36Å; K102-C125 PolarHBondContact NZ-O 2.96Å; K102-T127 WeakPolarHBondContact CG-OG1 3.45Å
103	P	91	Very high	96.7	Very high	113 Å²	113	42.4 Å²	42.4	73%	0.734	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.8	178.9	-27.4	36.2	0	0	0	114.3	Q99 Y100 I101	Q99-P103 VanDerWaalsContact O-CD 3.26Å; Q99-P103 WeakPolarHBondContact O-CD 3.3Å; Y100-P103 WeakPolarHBondContact O-CD 3.28Å; I101-P103 VanDerWaalsContact C-N 3.35Å
104	R	91.2	Very high	96.7	Very high	177 Å²	177	42.9 Å²	42.9	67%	0.668	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-36.2	176.8	-62.2	-173.6	177	-146.3	-2.6	111.9	H73 I101 K102	H73-R104 HydrophobicContact CB-CB 4.43Å; H73-R104 CarbonylContact O-C 3.54Å; H73-R104 WeakPolarHBondContact O-CB 3.35Å; I101-R104 PolarHBondContact O-N 3.31Å; I101-R104 VanDerWaalsContact O-N 3.08Å; K102-R104 PolarHBondContact O-N 3.43Å; K102-R104 VanDerWaalsContact O-N 3.11Å
105	I	94.3	Very high	96.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-114.1	124.1	-170.9	-63.5	173.4	0	0	0	109.8	Q69 S72 H73 K75 V77 I101 K102 I107	Q69-I105 HydrophobicContact CB-CD1 3.75Å; Q69-I105 HydrophobicContact CG-CD1 3.87Å; S72-I105 WeakPolarHBondContact O-CD1 3.38Å; H73-I105 VanDerWaalsContact O-CG1 3.31Å; H73-I105 WeakPolarHBondContact O-CG1 3.23Å; K75-I105 WeakPolarHBondContact O-CG2 3.4Å; V77-I105 HydrophobicContact CB-CG2 4.28Å; V77-I105 HydrophobicContact CG2-CG2 3.72Å; I101-I105 HydrophobicContact CB-CD1 4.48Å; I101-I105 PolarHBondContact O-N 2.88Å; K102-I105 CarbonylContact C-O 3.54Å; K102-I105 VanDerWaalsContact CA-O 3.28Å; K102-I105 WeakPolarHBondContact CA-O 3.27Å; K102-I105 PolarHBondContact O-N 3Å; I105-I107 HydrophobicContact CB-CD1 4.43Å; I105-I107 HydrophobicContact CG2-CD1 3.75Å; I105-I107 PolarHBondContact O-N 3.28Å
106	L	97	Very high	96.7	Very high	48 Å²	48	42.8 Å²	42.8	25%	0.251	21%	0.212	S	C	.	.			trans	-65.1	125.4	170.3	-175.6	159.7	0	0	0	110.3	P76 V77 A108 T127 Y130	P76-L106 CarbonylContact C-O 3.58Å; P76-L106 VanDerWaalsContact CA-O 3.27Å; P76-L106 WeakPolarHBondContact CA-O 3.49Å; P76-L106 HydrophobicContact CB-CB 4.15Å; P76-L106 HydrophobicContact CB-CD2 3.91Å; V77-L106 PolarHBondContact N-O 3.15Å; L106-A108 HydrophobicContact CD2-CB 4.09Å; L106-T127 HydrophobicContact CG-CG2 4.37Å; L106-Y130 HydrophobicContact CD1-CD1 4.08Å; L106-Y130 HydrophobicContact CD1-CD2 3.91Å; L106-Y130 HydrophobicContact CD1-CE1 3.77Å; L106-Y130 HydrophobicContact CD1-CE2 3.59Å; L106-Y130 HydrophobicContact CD1-CG 4.14Å; L106-Y130 HydrophobicContact CD2-CD1 3.85Å; L106-Y130 HydrophobicContact CD2-CD2 4.29Å; L106-Y130 HydrophobicContact CD2-CE1 4.31Å; L106-Y130 HydrophobicContact CD2-CG 3.84Å; L106-Y130 HydrophobicContact CG-CD1 4.45Å; L106-Y130 HydrophobicContact CG-CD2 4.18Å; L106-Y130 HydrophobicContact CG-CE2 4.35Å; L106-Y130 HydrophobicContact CG-CG 4.24Å
107	I	97.9	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	108.1	177.5	-53.3	-59.2	0	0	0	109.2	V77 I79 I98 I101 K102 I105 T109 T127	V77-I107 HydrophobicContact CB-CD1 3.83Å; V77-I107 HydrophobicContact CG1-CD1 4.46Å; V77-I107 HydrophobicContact CG2-CD1 4.43Å; V77-I107 WeakPolarHBondContact O-CA 3.44Å; I79-I107 HydrophobicContact CD1-CG2 3.6Å; I79-I107 HydrophobicContact CG1-CG2 4.13Å; I98-I107 HydrophobicContact CG2-CB 4.36Å; I98-I107 HydrophobicContact CG2-CG1 4.18Å; I98-I107 HydrophobicContact CG2-CG2 4.04Å; I101-I107 HydrophobicContact CD1-CD1 3.66Å; I101-I107 HydrophobicContact CG1-CD1 3.96Å; I101-I107 HydrophobicContact CG1-CG1 4.38Å; K102-I107 HydrophobicContact CB-CG1 4.38Å; K102-I107 HydrophobicContact CG-CG1 4.36Å; I105-I107 HydrophobicContact CB-CD1 4.43Å; I105-I107 HydrophobicContact CG2-CD1 3.75Å; I105-I107 PolarHBondContact O-N 3.28Å; I107-T109 HydrophobicContact CG2-CG2 4.4Å; I107-T127 PolarHBondContact N-OG1 2.87Å; I107-T127 PolarHBondContact O-N 3.49Å
108	A	97.9	Very high	96.7	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.1	175.7	0	0	0	0	0	109.8	V77 H78 I79 L106 Y130	V77-A108 PolarHBondContact O-N 2.85Å; H78-A108 CarbonylContact C-O 3.6Å; H78-A108 WeakPolarHBondContact CA-O 3.34Å; I79-A108 PolarHBondContact N-O 3.25Å; L106-A108 HydrophobicContact CD2-CB 4.09Å; A108-Y130 CarbonylContact C-O 3.59Å; A108-Y130 VanDerWaalsContact CA-O 3.31Å; A108-Y130 WeakPolarHBondContact CA-O 3.44Å
109	T	98.6	Very high	96.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.9	-180	52.3	0	0	0	0	110.5	I79 I81 I107 L123 Y130 R131 T132	I79-T109 CarbonylContact O-C 3.55Å; I79-T109 WeakPolarHBondContact O-CA 3.23Å; I81-T109 HydrophobicContact CD1-CG2 4.46Å; I107-T109 HydrophobicContact CG2-CG2 4.4Å; T109-L123 PolarHBondContact OG1-O 3.43Å; T109-Y130 PolarHBondContact N-O 3.44Å; T109-R131 WeakPolarHBondContact OG1-CA 3.27Å; T109-T132 PolarHBondContact O-N 2.81Å
110	W	98.4	Very high	96.8	Very high	48 Å²	48	36.9 Å²	36.9	18%	0.182	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	109.7	-174	-61.2	80.8	0	0	0	110	H78 I79 Y80 I81 I112 T132 L209	H78-W110 AromaticContact ND1-CE2 3.86Å; H78-W110 AromaticContact ND1-NE1 3.2Å; H78-W110 PolarHBondContact ND1-NE1 3.2Å; I79-W110 PolarHBondContact O-N 3.5Å; Y80-W110 CarbonylContact C-O 3.58Å; Y80-W110 WeakPolarHBondContact CA-O 3.41Å; Y80-W110 HydrophobicContact CD1-CB 3.79Å; Y80-W110 HydrophobicContact CD1-CG 4.3Å; Y80-W110 HydrophobicContact CD2-CB 4.4Å; Y80-W110 HydrophobicContact CD2-CG 4.42Å; Y80-W110 HydrophobicContact CE1-CB 4.02Å; Y80-W110 HydrophobicContact CE1-CD2 4.42Å; Y80-W110 HydrophobicContact CE1-CG 4.1Å; Y80-W110 HydrophobicContact CE2-CG 4.22Å; Y80-W110 HydrophobicContact CG-CB 4.01Å; Y80-W110 HydrophobicContact CG-CG 4.47Å; I81-W110 PolarHBondContact N-O 2.88Å; W110-I112 PolarHBondContact O-N 2.9Å; W110-T132 CarbonylContact C-O 3.58Å; W110-T132 WeakPolarHBondContact CA-O 3.46Å; W110-T132 HydrophobicContact CE3-CG2 3.67Å; W110-T132 HydrophobicContact CH2-CG2 4.4Å; W110-T132 HydrophobicContact CZ3-CG2 3.61Å; W110-L209 HydrophobicContact CH2-CD1 4.04Å; W110-L209 HydrophobicContact CZ3-CD1 3.94Å
111	C	98.6	Very high	96.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	114.3	173.7	-177.9	0	0	0	0	110.4	A115 L123 T132 C133 L134	C111-A115 HydrophobicContact CB-CB 4.4Å; C111-L123 HydrophobicContact CB-CD1 3.82Å; C111-L123 HydrophobicContact CB-CD2 3.69Å; C111-L123 HydrophobicContact CB-CG 4.39Å; C111-T132 PolarHBondContact N-O 2.88Å; C111-C133 HydrophobicContact CB-CB 4.27Å; C111-L134 PolarHBondContact O-N 3.45Å; C111-L134 VanDerWaalsContact O-N 3.08Å
112	I	97.1	Very high	97	Very high	46 Å²	46	28.5 Å²	28.5	24%	0.236	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.6	174.9	69.5	174.3	0	0	0	108.9	M50 Y80 I81 N82 W110 Q114 L134	M50-I112 HydrophobicContact CE-CD1 3.66Å; M50-I112 HydrophobicContact CE-CG1 4.22Å; M50-I112 HydrophobicContact SD-CD1 4.33Å; Y80-I112 HydrophobicContact CD1-CD1 4.16Å; Y80-I112 HydrophobicContact CD1-CG2 3.98Å; I81-I112 PolarHBondContact O-N 3.29Å; N82-I112 WeakPolarHBondContact CA-O 3.5Å; N82-I112 HydrophobicContact CB-CG1 4.07Å; N82-I112 WeakPolarHBondContact CB-O 3.31Å; N82-I112 PolarHBondContact OD1-O 3.32Å; W110-I112 PolarHBondContact O-N 2.9Å; I112-Q114 PolarHBondContact O-N 2.86Å; I112-L134 HydrophobicContact CB-CD1 4.21Å; I112-L134 HydrophobicContact CG2-CD1 3.57Å; I112-L134 HydrophobicContact CG2-CG 4.02Å
113	G	98.2	Very high	97.4	Very high	42 Å²	42	26 Å²	26	43%	0.433	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.4	-78.3	-174.2	0	0	0	0	0	112.8	A137 R138	G113-A137 CarbonylContact O-C 3.49Å; G113-A137 WeakPolarHBondContact O-CA 3.34Å; G113-R138 PolarHBondContact O-N 3.45Å
114	Q	98.4	Very high	97.8	Very high	38 Å²	38	20.6 Å²	20.6	18%	0.178	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.3	176.7	67.8	-179.4	-19.9	0	0	115.2	N82 S83 I112 R138	N82-Q114 CarbonylContact C-O 3.51Å; N82-Q114 VanDerWaalsContact CA-O 3.27Å; N82-Q114 WeakPolarHBondContact CA-O 3.29Å; N82-Q114 PolarHBondContact OD1-N 3.17Å; S83-Q114 PolarHBondContact N-O 3.4Å; I112-Q114 PolarHBondContact O-N 2.86Å; Q114-R138 CarbonylContact C-O 3.21Å; Q114-R138 VanDerWaalsContact CA-O 3.25Å; Q114-R138 WeakPolarHBondContact CA-O 3.38Å; Q114-R138 HydrophobicContact CB-CG 3.68Å
115	A	98.7	Very high	98.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	99.8	163.1	0	0	0	0	0	108.2	I81 C111 A119 S120 L123 R138 V139 M140	I81-A115 HydrophobicContact CG2-CB 4.05Å; C111-A115 HydrophobicContact CB-CB 4.4Å; A115-A119 HydrophobicContact CB-CB 4.34Å; A115-S120 WeakPolarHBondContact O-CB 3.44Å; A115-L123 HydrophobicContact CB-CB 4.17Å; A115-L123 HydrophobicContact CB-CD2 3.75Å; A115-R138 PolarHBondContact N-O 3.36Å; A115-V139 CarbonylContact O-C 3.36Å; A115-V139 VanDerWaalsContact O-CA 3.28Å; A115-V139 WeakPolarHBondContact O-CA 3.46Å; A115-M140 PolarHBondContact O-N 2.88Å
116	S	98.4	Very high	98.2	Very high	4 Å²	4	12.2 Å²	12.2	3%	0.028	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	147	-177	-58.5	0	0	0	0	111.9	S83 P84 G85 M118 A119 M140	S83-S116 PolarHBondContact O-N 2.89Å; P84-S116 CarbonylContact C-O 3.58Å; G85-S116 WeakPolarHBondContact CA-O 3.17Å; G85-S116 PolarHBondContact N-O 3.05Å; G85-S116 VanDerWaalsContact N-O 3.16Å; S116-M118 PolarHBondContact O-N 3.13Å; S116-A119 WeakPolarHBondContact O-CB 3.26Å; S116-A119 PolarHBondContact O-N 3.45Å; S116-M140 CarbonylContact C-O 3.6Å; S116-M140 WeakPolarHBondContact CA-O 3.42Å
117	S	98.2	Very high	98.3	Very high	21 Å²	21	11.5 Å²	11.5	15%	0.147	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-122.6	176.5	-173.9	0	0	0	0	112.3	A119 S120 L121 M140 H142 Y173	S117-A119 PolarHBondContact O-N 2.94Å; S117-A119 VanDerWaalsContact O-N 3.11Å; S117-S120 PolarHBondContact O-N 3.23Å; S117-S120 VanDerWaalsContact O-N 3.13Å; S117-S120 PolarHBondContact O-OG 3.27Å; S117-L121 PolarHBondContact O-N 3.35Å; S117-M140 PolarHBondContact N-O 2.76Å; S117-H142 WeakPolarHBondContact CB-NE2 3.26Å; S117-H142 PolarHBondContact OG-CD2 3.19Å; S117-H142 PolarHBondContact OG-NE2 2.76Å; S117-Y173 PolarHBondContact O-OH 3.01Å
118	M	98.4	Very high	98.2	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.02	10%	0.103	C	C	.	.	H	α-helix	trans	-56.9	-27.9	176.5	-76	-55.7	-64	0	0	113.8	I53 V88 L92 S116 L121 L122 I169	I53-M118 HydrophobicContact CD1-CB 3.86Å; V88-M118 HydrophobicContact CB-SD 4.4Å; V88-M118 HydrophobicContact CG1-SD 4.19Å; V88-M118 HydrophobicContact CG2-CG 4.34Å; V88-M118 HydrophobicContact CG2-SD 4.28Å; L92-M118 HydrophobicContact CD2-CE 4.42Å; L92-M118 HydrophobicContact CG-CE 4.22Å; S116-M118 PolarHBondContact O-N 3.13Å; M118-L121 HydrophobicContact CE-CD2 3.93Å; M118-L121 PolarHBondContact O-N 3.13Å; M118-L121 HydrophobicContact SD-CD2 4.29Å; M118-L122 WeakPolarHBondContact O-CG 3.39Å; M118-L122 PolarHBondContact O-N 2.91Å; M118-L122 VanDerWaalsContact O-N 3.09Å; M118-I169 HydrophobicContact SD-CD1 4.37Å
119	A	98.6	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-72.1	-31.5	179.1	0	0	0	0	0	113	I53 I81 S83 A115 S116 S117 L121 L122 L123	I53-A119 HydrophobicContact CD1-CB 4.22Å; I81-A119 HydrophobicContact CG2-CB 3.97Å; S83-A119 WeakPolarHBondContact O-CB 3.38Å; A115-A119 HydrophobicContact CB-CB 4.34Å; S116-A119 WeakPolarHBondContact O-CB 3.26Å; S116-A119 PolarHBondContact O-N 3.45Å; S117-A119 PolarHBondContact O-N 2.94Å; S117-A119 VanDerWaalsContact O-N 3.11Å; A119-L121 VanDerWaalsContact C-N 3.35Å; A119-L122 PolarHBondContact O-N 3Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 PolarHBondContact O-N 3.24Å
120	S	98.6	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-71.6	-31.4	174	49.2	0	0	0	0	112	A115 S117 L123 A124 M140 Y173	A115-S120 WeakPolarHBondContact O-CB 3.44Å; S117-S120 PolarHBondContact O-N 3.23Å; S117-S120 VanDerWaalsContact O-N 3.13Å; S117-S120 PolarHBondContact O-OG 3.27Å; S120-L123 WeakPolarHBondContact O-CB 3.4Å; S120-L123 PolarHBondContact O-N 2.86Å; S120-A124 WeakPolarHBondContact O-CB 3.49Å; S120-A124 PolarHBondContact O-N 3.47Å; S120-M140 WeakPolarHBondContact CB-O 3.49Å; S120-M140 PolarHBondContact OG-O 2.76Å; S120-Y173 PolarHBondContact OG-OH 3.05Å
121	L	98.7	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-45.6	169.3	-178.8	63.1	0	0	0	111.4	Y95 S117 M118 A119 L123 A124 C125 L172 Y173	Y95-L121 HydrophobicContact CD2-CG 4.33Å; S117-L121 PolarHBondContact O-N 3.35Å; M118-L121 HydrophobicContact CE-CD2 3.93Å; M118-L121 PolarHBondContact O-N 3.13Å; M118-L121 HydrophobicContact SD-CD2 4.29Å; A119-L121 VanDerWaalsContact C-N 3.35Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 2.89Å; L121-A124 PolarHBondContact O-N 3.49Å; L121-C125 WeakPolarHBondContact O-CB 3.11Å; L121-C125 PolarHBondContact O-N 3.45Å; L121-L172 HydrophobicContact CD1-CB 3.8Å; L121-L172 HydrophobicContact CD2-CB 4.49Å; L121-L172 HydrophobicContact CD2-CD1 3.97Å; L121-Y173 HydrophobicContact CB-CE1 4.39Å; L121-Y173 HydrophobicContact CB-CE2 4.21Å; L121-Y173 HydrophobicContact CD1-CD1 4.45Å; L121-Y173 HydrophobicContact CD1-CD2 4.25Å; L121-Y173 HydrophobicContact CD1-CE1 4.38Å; L121-Y173 HydrophobicContact CD1-CE2 4.17Å; L121-Y173 HydrophobicContact CD1-CG 4.39Å; L121-Y173 PolarHBondContact N-OH 2.75Å
122	L	98.6	Very high	98	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-35.6	176.8	-68.3	179.5	0	0	0	112.4	L49 I53 I81 I94 I98 M118 A119 C125	L49-L122 HydrophobicContact CD1-CD1 3.52Å; I53-L122 HydrophobicContact CD1-CD1 3.74Å; I81-L122 HydrophobicContact CD1-CB 4.36Å; I94-L122 HydrophobicContact CB-CD1 4.25Å; I94-L122 HydrophobicContact CB-CD2 4.02Å; I94-L122 HydrophobicContact CD1-CD1 4.04Å; I94-L122 HydrophobicContact CG2-CD1 4.03Å; I94-L122 HydrophobicContact CG2-CD2 3.8Å; I98-L122 HydrophobicContact CD1-CD2 4.32Å; M118-L122 WeakPolarHBondContact O-CG 3.39Å; M118-L122 PolarHBondContact O-N 2.91Å; M118-L122 VanDerWaalsContact O-N 3.09Å; A119-L122 PolarHBondContact O-N 3Å; L122-C125 PolarHBondContact O-N 3.27Å; L122-C125 PolarHBondContact O-SG 2.98Å
123	L	98.6	Very high	98	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-48.9	170.8	175.9	63.7	0	0	0	111.1	I81 T109 C111 A115 A119 S120 L121 C125 V139 V205	I81-L123 HydrophobicContact CD1-CB 4Å; I81-L123 HydrophobicContact CD1-CD1 4.42Å; T109-L123 PolarHBondContact OG1-O 3.43Å; C111-L123 HydrophobicContact CB-CD1 3.82Å; C111-L123 HydrophobicContact CB-CD2 3.69Å; C111-L123 HydrophobicContact CB-CG 4.39Å; A115-L123 HydrophobicContact CB-CB 4.17Å; A115-L123 HydrophobicContact CB-CD2 3.75Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 PolarHBondContact O-N 3.24Å; S120-L123 WeakPolarHBondContact O-CB 3.4Å; S120-L123 PolarHBondContact O-N 2.86Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 2.89Å; L123-C125 VanDerWaalsContact C-N 3.28Å; L123-C125 PolarHBondContact O-N 3.37Å; L123-V139 HydrophobicContact CD2-CG1 4.39Å; L123-V139 HydrophobicContact CD2-CG2 3.87Å; L123-V205 HydrophobicContact CD1-CG1 3.95Å; L123-V205 HydrophobicContact CD2-CG1 3.53Å; L123-V205 HydrophobicContact CG-CG1 3.71Å
124	A	98.5	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.8	-24.9	-177.3	0	0	0	0	0	113.6	S120 L121 G126 R131 H176 L204	S120-A124 WeakPolarHBondContact O-CB 3.49Å; S120-A124 PolarHBondContact O-N 3.47Å; L121-A124 PolarHBondContact O-N 3.49Å; A124-G126 VanDerWaalsContact C-N 3.29Å; A124-G126 PolarHBondContact O-N 3.46Å; A124-R131 WeakPolarHBondContact O-CD 3.31Å; A124-R131 PolarHBondContact O-NH1 2.92Å; A124-H176 HydrophobicContact CB-CB 4.09Å; A124-H176 WeakPolarHBondContact O-CB 3.48Å; A124-L204 WeakPolarHBondContact CA-O 3.41Å; A124-L204 HydrophobicContact CB-CD2 3.86Å
125	C	97.9	Very high	98	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.6	-173.9	87.1	0	0	0	0	115.4	Y95 Q99 K102 L121 L122 L123	Y95-C125 HydrophobicContact CD2-CB 3.47Å; Y95-C125 VanDerWaalsContact CD2-CB 3.47Å; Y95-C125 HydrophobicContact CE2-CB 3.4Å; Q99-C125 PolarHBondContact NE2-O 3.22Å; K102-C125 PolarHBondContact NZ-O 2.96Å; L121-C125 WeakPolarHBondContact O-CB 3.11Å; L121-C125 PolarHBondContact O-N 3.45Å; L122-C125 PolarHBondContact O-N 3.27Å; L122-C125 PolarHBondContact O-SG 2.98Å; L123-C125 VanDerWaalsContact C-N 3.28Å; L123-C125 PolarHBondContact O-N 3.37Å
126	G	97.8	Very high	97.9	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.021	16%	0.156	C	C	.	.	S	Bend	trans	-55.7	174.4	174.5	0	0	0	0	0	113.4	A124 H128	A124-G126 VanDerWaalsContact C-N 3.29Å; A124-G126 PolarHBondContact O-N 3.46Å; G126-H128 PolarHBondContact O-N 2.9Å
127	T	97.6	Very high	97.9	Very high	32 Å²	32	29.5 Å²	29.5	20%	0.196	16%	0.157	C	C	.	.			trans	-66.8	130.4	174.3	-59.5	0	0	0	0	109.4	K102 L106 I107 G129 Y130	K102-T127 WeakPolarHBondContact CG-OG1 3.45Å; L106-T127 HydrophobicContact CG-CG2 4.37Å; I107-T127 PolarHBondContact N-OG1 2.87Å; I107-T127 PolarHBondContact O-N 3.49Å; T127-G129 PolarHBondContact O-N 3.37Å; T127-Y130 HydrophobicContact CG2-CD2 4.07Å; T127-Y130 WeakPolarHBondContact O-CA 3.43Å; T127-Y130 WeakPolarHBondContact O-CB 3.43Å; T127-Y130 PolarHBondContact O-N 3.02Å
128	H	96.1	Very high	97.9	Very high	150 Å²	150	34.4 Å²	34.4	69%	0.694	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	134.3	177	-178.4	69.5	0	0	0	111	G126 Y130 D206	G126-H128 PolarHBondContact O-N 2.9Å; H128-Y130 VanDerWaalsContact C-N 3.32Å; H128-D206 IonicContact CE1-OD1 3.07Å; H128-D206 IonicContact ND1-OD1 3.22Å
129	G	96.3	Very high	97.9	Very high	21 Å²	21	34.2 Å²	34.2	22%	0.216	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	-9.7	-173.1	0	0	0	0	0	115	T127 D206 K207	T127-G129 PolarHBondContact O-N 3.37Å; G129-D206 VanDerWaalsContact CA-OD2 3.3Å; G129-D206 WeakPolarHBondContact CA-OD2 3.43Å; G129-D206 PolarHBondContact N-OD2 3.11Å; G129-K207 VanDerWaalsContact O-CE 3.31Å; G129-K207 WeakPolarHBondContact O-CE 3.31Å; G129-K207 PolarHBondContact O-NZ 3.15Å; G129-K207 VanDerWaalsContact O-NZ 3.15Å
130	Y	97.2	Very high	97.9	Very high	89 Å²	89	34.9 Å²	34.9	35%	0.349	18%	0.175	S	C	.	.			trans	-124.5	21.7	-176	-62.8	-90.5	0	0	0	113.2	L106 A108 T109 T127 H128 D206	L106-Y130 HydrophobicContact CD1-CD1 4.08Å; L106-Y130 HydrophobicContact CD1-CD2 3.91Å; L106-Y130 HydrophobicContact CD1-CE1 3.77Å; L106-Y130 HydrophobicContact CD1-CE2 3.59Å; L106-Y130 HydrophobicContact CD1-CG 4.14Å; L106-Y130 HydrophobicContact CD2-CD1 3.85Å; L106-Y130 HydrophobicContact CD2-CD2 4.29Å; L106-Y130 HydrophobicContact CD2-CE1 4.31Å; L106-Y130 HydrophobicContact CD2-CG 3.84Å; L106-Y130 HydrophobicContact CG-CD1 4.45Å; L106-Y130 HydrophobicContact CG-CD2 4.18Å; L106-Y130 HydrophobicContact CG-CE2 4.35Å; L106-Y130 HydrophobicContact CG-CG 4.24Å; A108-Y130 CarbonylContact C-O 3.59Å; A108-Y130 VanDerWaalsContact CA-O 3.31Å; A108-Y130 WeakPolarHBondContact CA-O 3.44Å; T109-Y130 PolarHBondContact N-O 3.44Å; T127-Y130 HydrophobicContact CG2-CD2 4.07Å; T127-Y130 WeakPolarHBondContact O-CA 3.43Å; T127-Y130 WeakPolarHBondContact O-CB 3.43Å; T127-Y130 PolarHBondContact O-N 3.02Å; H128-Y130 VanDerWaalsContact C-N 3.32Å; Y130-D206 PolarHBondContact N-OD2 3.18Å
131	R	98.3	Very high	97.9	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.045	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.1	173.5	-51.9	171.2	-65.3	170.7	8.2	108.7	T109 A124 H176 G203 V205 D206 K207	T109-R131 WeakPolarHBondContact OG1-CA 3.27Å; A124-R131 WeakPolarHBondContact O-CD 3.31Å; A124-R131 PolarHBondContact O-NH1 2.92Å; R131-H176 PolarHBondContact NH1-O 2.89Å; R131-G203 PolarHBondContact NH1-O 3.29Å; R131-G203 VanDerWaalsContact NH1-O 3.14Å; R131-G203 PolarHBondContact NH2-O 3.21Å; R131-V205 HydrophobicContact CB-CB 4.4Å; R131-V205 HydrophobicContact CB-CG1 4.5Å; R131-D206 VanDerWaalsContact CB-OD2 3.23Å; R131-D206 WeakPolarHBondContact CB-OD2 3.17Å; R131-D206 VanDerWaalsContact CG-OD2 3.31Å; R131-D206 WeakPolarHBondContact CG-OD2 3.41Å; R131-D206 IonicContact CZ-OD1 3.21Å; R131-D206 IonicContact CZ-OD2 2.9Å; R131-D206 PolarHBondContact N-OD2 2.76Å; R131-D206 VanDerWaalsContact NE-CG 3.35Å; R131-D206 IonicContact NE-OD1 3.78Å; R131-D206 PolarHBondContact NE-OD1 3.2Å; R131-D206 IonicContact NE-OD2 2.7Å; R131-D206 PolarHBondContact NE-OD2 3.35Å; R131-D206 IonicContact NH2-OD1 3.52Å; R131-D206 PolarHBondContact NH2-OD1 3.11Å; R131-D206 IonicContact NH2-OD2 3.36Å; R131-D206 PolarHBondContact O-N 3.34Å; R131-K207 PolarHBondContact O-N 2.88Å; R131-K207 VanDerWaalsContact O-N 3.11Å
132	T	98.3	Very high	97.9	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.8	-170.1	-56.7	0	0	0	0	111.5	T109 W110 C111 K207 L209	T109-T132 PolarHBondContact O-N 2.81Å; W110-T132 CarbonylContact C-O 3.58Å; W110-T132 WeakPolarHBondContact CA-O 3.46Å; W110-T132 HydrophobicContact CE3-CG2 3.67Å; W110-T132 HydrophobicContact CH2-CG2 4.4Å; W110-T132 HydrophobicContact CZ3-CG2 3.61Å; C111-T132 PolarHBondContact N-O 2.88Å; T132-K207 CarbonylContact C-O 3.19Å; T132-K207 WeakPolarHBondContact CA-O 3.47Å; T132-L209 HydrophobicContact CG2-CB 4.01Å; T132-L209 HydrophobicContact CG2-CD1 3.79Å; T132-L209 HydrophobicContact CG2-CG 3.73Å
133	C	97.5	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.5	172.8	-157.9	0	0	0	0	110.2	C111 P196 V205 K207 V208 L209	C111-C133 HydrophobicContact CB-CB 4.27Å; C133-P196 HydrophobicContact CB-CB 3.92Å; C133-V205 HydrophobicContact CB-CB 4.44Å; C133-V205 HydrophobicContact CB-CG1 4.15Å; C133-V205 HydrophobicContact CB-CG2 4.09Å; C133-K207 PolarHBondContact N-O 3.42Å; C133-V208 VanDerWaalsContact O-CA 3.3Å; C133-V208 WeakPolarHBondContact O-CA 3.43Å; C133-L209 PolarHBondContact O-N 3.02Å; C133-L209 VanDerWaalsContact O-N 3.17Å
134	L	97.9	Very high	97.8	Very high	65 Å²	65	39.4 Å²	39.4	34%	0.34	20%	0.197	S	C	.	.			trans	-79.7	157	170.9	-65.2	-172.1	0	0	0	111.2	C111 I112 N136 A137 P196 L209	C111-L134 PolarHBondContact O-N 3.45Å; C111-L134 VanDerWaalsContact O-N 3.08Å; I112-L134 HydrophobicContact CB-CD1 4.21Å; I112-L134 HydrophobicContact CG2-CD1 3.57Å; I112-L134 HydrophobicContact CG2-CG 4.02Å; L134-N136 VanDerWaalsContact C-N 3.3Å; L134-N136 PolarHBondContact O-N 3.19Å; L134-N136 VanDerWaalsContact O-N 3.16Å; L134-A137 WeakPolarHBondContact O-CB 3.2Å; L134-A137 PolarHBondContact O-N 3.22Å; L134-P196 WeakPolarHBondContact O-CG 3.48Å; L134-L209 WeakPolarHBondContact CD2-O 3.39Å
135	P	97.4	Very high	97.6	Very high	48 Å²	48	44.2 Å²	44.2	31%	0.312	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.1	-163.5	-24.3	37.6	0	0	0	115.4	P196 V208 L209 E210	P135-P196 WeakPolarHBondContact O-CG 3.43Å; P135-V208 HydrophobicContact CB-CG1 4.48Å; P135-V208 HydrophobicContact CG-CG1 4.39Å; P135-L209 VanDerWaalsContact CD-O 3.3Å; P135-L209 WeakPolarHBondContact CD-O 3.29Å; P135-E210 HydrophobicContact CG-CB 4.05Å; P135-E210 HydrophobicContact CG-CG 3.66Å
136	N	97.8	Very high	97.4	Very high	163 Å²	163	46.5 Å²	46.5	87%	0.872	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	6.6	178.1	-65.1	-52.1	0	0	0	113	L134	L134-N136 VanDerWaalsContact C-N 3.3Å; L134-N136 PolarHBondContact O-N 3.19Å; L134-N136 VanDerWaalsContact O-N 3.16Å
137	A	98	Very high	97.1	Very high	5 Å²	5	55.7 Å²	55.7	4%	0.041	30%	0.296	C	S	.	.			trans	-74.2	163.4	175.2	0	0	0	0	0	110.7	G113 L134 P196	G113-A137 CarbonylContact O-C 3.49Å; G113-A137 WeakPolarHBondContact O-CA 3.34Å; L134-A137 WeakPolarHBondContact O-CB 3.2Å; L134-A137 PolarHBondContact O-N 3.22Å; A137-P196 WeakPolarHBondContact O-CD 3.19Å; A137-P196 WeakPolarHBondContact O-CG 3.16Å
138	R	98.3	Very high	97	Very high	124 Å²	124	56.3 Å²	56.3	47%	0.468	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.7	173.4	68	-178.4	-175	-172.6	0.5	111.3	G113 Q114 A115	G113-R138 PolarHBondContact O-N 3.45Å; Q114-R138 CarbonylContact C-O 3.21Å; Q114-R138 VanDerWaalsContact CA-O 3.25Å; Q114-R138 WeakPolarHBondContact CA-O 3.38Å; Q114-R138 HydrophobicContact CB-CG 3.68Å; A115-R138 PolarHBondContact N-O 3.36Å
139	V	98.7	Very high	96.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136	174.2	-172.6	0	0	0	0	108.4	A115 L123 F193 M194 A199 L204	A115-V139 CarbonylContact O-C 3.36Å; A115-V139 VanDerWaalsContact O-CA 3.28Å; A115-V139 WeakPolarHBondContact O-CA 3.46Å; L123-V139 HydrophobicContact CD2-CG1 4.39Å; L123-V139 HydrophobicContact CD2-CG2 3.87Å; V139-F193 CarbonylContact O-C 3.39Å; V139-M194 PolarHBondContact N-O 3.2Å; V139-M194 PolarHBondContact O-N 3.11Å; V139-A199 HydrophobicContact CB-CB 3.9Å; V139-A199 HydrophobicContact CG1-CB 4.46Å; V139-A199 HydrophobicContact CG2-CB 3.7Å; V139-L204 HydrophobicContact CG1-CD1 3.71Å
140	M	98.6	Very high	96.9	Very high	14 Å²	14	55.1 Å²	55.1	7%	0.069	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.5	176.9	-178.6	-79.9	-91.2	0	0	110.4	A115 S116 S117 S120 H142 R192 F193	A115-M140 PolarHBondContact O-N 2.88Å; S116-M140 CarbonylContact C-O 3.6Å; S116-M140 WeakPolarHBondContact CA-O 3.42Å; S117-M140 PolarHBondContact N-O 2.76Å; S120-M140 WeakPolarHBondContact CB-O 3.49Å; S120-M140 PolarHBondContact OG-O 2.76Å; M140-H142 HydrophobicContact SD-CB 3.96Å; M140-R192 VanDerWaalsContact CA-O 3.3Å; M140-R192 WeakPolarHBondContact CA-O 3.28Å; M140-F193 HydrophobicContact CB-CD1 3.75Å; M140-F193 HydrophobicContact CB-CE1 3.92Å; M140-F193 HydrophobicContact CB-CG 4.35Å; M140-F193 HydrophobicContact CG-CD1 3.77Å; M140-F193 HydrophobicContact CG-CD2 4.29Å; M140-F193 HydrophobicContact CG-CE1 3.68Å; M140-F193 HydrophobicContact CG-CE2 4.21Å; M140-F193 HydrophobicContact CG-CG 4.08Å; M140-F193 HydrophobicContact CG-CZ 3.91Å
141	I	98.6	Very high	96.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.8	172.8	64.9	177.7	0	0	0	109.6	Y173 A187 M188 R192 M194 F202 L204	I141-Y173 HydrophobicContact CG2-CE1 3.7Å; I141-A187 HydrophobicContact CD1-CB 4.01Å; I141-M188 HydrophobicContact CB-CG 4.17Å; I141-M188 HydrophobicContact CD1-CG 3.85Å; I141-M188 HydrophobicContact CG1-CG 4.06Å; I141-R192 HydrophobicContact CG1-CB 4.03Å; I141-R192 PolarHBondContact N-O 3.46Å; I141-R192 VanDerWaalsContact N-O 3.1Å; I141-R192 PolarHBondContact O-N 2.91Å; I141-M194 HydrophobicContact CB-CE 4.47Å; I141-M194 HydrophobicContact CD1-CE 3.65Å; I141-M194 HydrophobicContact CG1-CE 3.65Å; I141-M194 HydrophobicContact CG2-CE 4.15Å; I141-F202 HydrophobicContact CD1-CE1 3.83Å; I141-F202 HydrophobicContact CD1-CZ 3.87Å; I141-L204 HydrophobicContact CG2-CD1 3.96Å; I141-L204 HydrophobicContact CG2-CD2 4.49Å
142	H	98.4	Very high	96.7	Very high	36 Å²	36	61.2 Å²	61.2	17%	0.167	37%	0.371	C	S	.	.			trans	-161.9	164.7	174.5	72.2	170.3	0	0	0	110.7	S117 M140 M188 D191	S117-H142 WeakPolarHBondContact CB-NE2 3.26Å; S117-H142 PolarHBondContact OG-CD2 3.19Å; S117-H142 PolarHBondContact OG-NE2 2.76Å; M140-H142 HydrophobicContact SD-CB 3.96Å; H142-M188 CarbonylContact C-O 3.51Å; H142-M188 WeakPolarHBondContact CA-O 3.49Å; H142-M188 WeakPolarHBondContact O-CE 3.44Å; H142-D191 VanDerWaalsContact CB-OD1 3.25Å; H142-D191 WeakPolarHBondContact CB-OD1 3.42Å; H142-D191 IonicContact CG-OD1 3.46Å; H142-D191 IonicContact ND1-OD1 2.88Å; H142-D191 PolarHBondContact ND1-OD1 2.9Å
143	Q	97.5	Very high	96.6	Very high	46 Å²	46	65.1 Å²	65.1	22%	0.215	40%	0.395	C	S	.	.			trans	-66.8	152.5	173.9	63.8	179.5	-46.5	0	0	112.2	K166 M188 E189	Q143-K166 HydrophobicContact CB-CD 4.35Å; Q143-M188 PolarHBondContact N-O 3.03Å; Q143-E189 VanDerWaalsContact NE2-CD 3.3Å; Q143-E189 PolarHBondContact NE2-O 2.95Å; Q143-E189 PolarHBondContact NE2-OE1 2.74Å
144	P	97.4	Very high	96.6	Very high	15 Å²	15	68 Å²	68	10%	0.097	41%	0.41	C	S	.	.			trans	-60.9	144.6	174.4	27.6	-35.7	0	0	0	110.7	V88 I162 V165 K166 I169	V88-P144 HydrophobicContact CG2-CB 4.36Å; P144-I162 HydrophobicContact CG-CG1 4.46Å; P144-V165 HydrophobicContact CB-CG1 4.31Å; P144-V165 HydrophobicContact CG-CG1 4.26Å; P144-K166 HydrophobicContact CG-CB 3.83Å; P144-K166 HydrophobicContact CG-CG 4.49Å; P144-I169 HydrophobicContact CB-CD1 4.09Å; P144-I169 HydrophobicContact CG-CD1 4.15Å
145	S	94.6	Very high	96.5	Very high	102 Å²	102	68.5 Å²	68.5	71%	0.713	41%	0.412	S	S	*	.			trans	-117.2	144.6	175.9	-63.3	0	0	0	0	109.9
146	G	92.9	Very high	96.5	Very high	47 Å²	47	71.1 Å²	71.1	49%	0.485	42%	0.422	S	S	.	.			trans	-161.4	166.7	-179.9	0	0	0	0	0	111.2
147	H	92.4	Very high	96.4	Very high	195 Å²	195	67.8 Å²	67.8	90%	0.903	40%	0.403	S	S	*	.			trans	-128.8	145.2	178.7	-59.3	96.1	0	0	0	108.9
148	A	94.6	Very high	96.4	Very high	46 Å²	46	72.4 Å²	72.4	38%	0.38	42%	0.423	S	S	.	.			trans	-131.7	141.7	175	0	0	0	0	0	109.3	H158	A148-H158 HydrophobicContact CB-CB 3.56Å
149	A	94.5	Very high	96.3	Very high	91 Å²	91	68.8 Å²	68.8	75%	0.752	42%	0.42	S	S	*	.			trans	-147.1	148.4	174.4	0	0	0	0	0	108.4
150	G	96.2	Very high	96.2	Very high	54 Å²	54	73.7 Å²	73.7	56%	0.557	44%	0.443	S	S	*	.	S	Bend	trans	140.4	-157.2	-176.8	0	0	0	0	0	111.9
151	Q	96.2	Very high	96.2	Very high	144 Å²	144	77.7 Å²	77.7	67%	0.673	46%	0.461	S	S	*	.	S	Bend	trans	-67.7	159.3	176.2	-55.1	-175.5	-84.9	0	0	110.1	T153 D154 I155	Q151-T153 PolarHBondContact O-N 3.38Å; Q151-T153 VanDerWaalsContact O-N 3.16Å; Q151-D154 WeakPolarHBondContact CB-OD2 3.23Å; Q151-D154 PolarHBondContact N-OD2 3.39Å; Q151-D154 VanDerWaalsContact N-OD2 3.09Å; Q151-D154 PolarHBondContact O-N 2.68Å; Q151-I155 PolarHBondContact O-N 2.71Å
152	A	95	Very high	96.1	Very high	86 Å²	86	80.3 Å²	80.3	71%	0.711	48%	0.475	S	S	*	.	H	α-helix	trans	-53.6	-38.6	179.5	0	0	0	0	0	112.4	M156	A152-M156 WeakPolarHBondContact O-CB 3.28Å; A152-M156 PolarHBondContact O-N 3.38Å; A152-M156 VanDerWaalsContact O-N 3.07Å
153	T	96.6	Very high	96.1	Very high	87 Å²	87	82.2 Å²	82.2	53%	0.534	49%	0.489	S	S	.	.	H	α-helix	trans	-63.9	-42.6	175.6	-53.3	0	0	0	0	112.5	Q151 M156 I157	Q151-T153 PolarHBondContact O-N 3.38Å; Q151-T153 VanDerWaalsContact O-N 3.16Å; T153-M156 WeakPolarHBondContact O-CB 3.45Å; T153-M156 PolarHBondContact O-N 3.16Å; T153-I157 HydrophobicContact CG2-CD1 4.17Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 3.07Å
154	D	96.6	Very high	96.1	Very high	61 Å²	61	85.8 Å²	85.8	33%	0.326	50%	0.503	S	S	.	.	H	α-helix	trans	-66.3	-43.4	179.1	-55.2	-39.4	0	0	0	111.2	Q151 M156 I157 H158	Q151-D154 WeakPolarHBondContact CB-OD2 3.23Å; Q151-D154 PolarHBondContact N-OD2 3.39Å; Q151-D154 VanDerWaalsContact N-OD2 3.09Å; Q151-D154 PolarHBondContact O-N 2.68Å; D154-M156 VanDerWaalsContact C-N 3.28Å; D154-M156 PolarHBondContact O-N 3.12Å; D154-I157 PolarHBondContact O-N 2.94Å; D154-H158 PolarHBondContact O-CD2 3.32Å; D154-H158 PolarHBondContact O-N 3.1Å
155	I	96.8	Very high	96.1	Very high	74 Å²	74	86.1 Å²	86.1	38%	0.379	51%	0.505	S	S	.	.	H	α-helix	trans	-59.4	-43	176.6	-66	171.7	0	0	0	110.2	Q151 H158 A159	Q151-I155 PolarHBondContact O-N 2.71Å; I155-H158 PolarHBondContact O-N 2.9Å; I155-A159 WeakPolarHBondContact O-CB 3.44Å; I155-A159 PolarHBondContact O-N 2.95Å
156	M	96.2	Very high	96.3	Very high	104 Å²	104	83.5 Å²	83.5	51%	0.512	48%	0.481	S	S	.	.	H	α-helix	trans	-61.9	-45.2	177	-173.1	177.3	72.9	0	0	111.8	A152 T153 D154 H158 A159 E160	A152-M156 WeakPolarHBondContact O-CB 3.28Å; A152-M156 PolarHBondContact O-N 3.38Å; A152-M156 VanDerWaalsContact O-N 3.07Å; T153-M156 WeakPolarHBondContact O-CB 3.45Å; T153-M156 PolarHBondContact O-N 3.16Å; D154-M156 VanDerWaalsContact C-N 3.28Å; D154-M156 PolarHBondContact O-N 3.12Å; M156-H158 PolarHBondContact O-N 3.03Å; M156-A159 PolarHBondContact O-N 3.28Å; M156-E160 WeakPolarHBondContact O-CG 3.41Å; M156-E160 PolarHBondContact O-N 3.42Å
157	I	97.3	Very high	96.5	Very high	92 Å²	92	87.5 Å²	87.5	47%	0.472	49%	0.485	S	S	.	.	H	α-helix	trans	-59.1	-46.7	177	-69.6	165	0	0	0	110.9	T153 D154 E160 E161	T153-I157 HydrophobicContact CG2-CD1 4.17Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 3.07Å; D154-I157 PolarHBondContact O-N 2.94Å; I157-E160 PolarHBondContact O-N 3.08Å; I157-E161 PolarHBondContact O-N 2.86Å
158	H	96.6	Very high	96.8	Very high	102 Å²	102	82.7 Å²	82.7	47%	0.472	46%	0.463	S	S	.	.	H	α-helix	trans	-66.5	-37.1	178.1	-75.4	-64.6	0	0	0	112.9	A148 D154 I155 M156 E161 I162	A148-H158 HydrophobicContact CB-CB 3.56Å; D154-H158 PolarHBondContact O-CD2 3.32Å; D154-H158 PolarHBondContact O-N 3.1Å; I155-H158 PolarHBondContact O-N 2.9Å; M156-H158 PolarHBondContact O-N 3.03Å; H158-E161 PolarHBondContact O-N 3.3Å; H158-I162 PolarHBondContact O-N 3.32Å
159	A	96.7	Very high	97	Very high	48 Å²	48	80.8 Å²	80.8	40%	0.397	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-40.7	175.4	0	0	0	0	0	111.8	I155 M156 I162 V163	I155-A159 WeakPolarHBondContact O-CB 3.44Å; I155-A159 PolarHBondContact O-N 2.95Å; M156-A159 PolarHBondContact O-N 3.28Å; A159-I162 VanDerWaalsContact O-CG2 3.3Å; A159-I162 WeakPolarHBondContact O-CG2 3.42Å; A159-V163 VanDerWaalsContact O-CG2 3.24Å; A159-V163 WeakPolarHBondContact O-CG2 3.46Å; A159-V163 PolarHBondContact O-N 2.83Å
160	E	97.5	Very high	97.2	Very high	103 Å²	103	76.6 Å²	76.6	48%	0.481	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-41.9	173.7	-73.8	-179.2	-169.6	0	0	112	M156 I157 V163 K164	M156-E160 WeakPolarHBondContact O-CG 3.41Å; M156-E160 PolarHBondContact O-N 3.42Å; I157-E160 PolarHBondContact O-N 3.08Å; E160-V163 PolarHBondContact O-N 3.33Å; E160-K164 WeakPolarHBondContact O-CG 3.36Å; E160-K164 PolarHBondContact O-N 3.31Å
161	E	97.9	Very high	97.3	Very high	99 Å²	99	77.9 Å²	77.9	46%	0.463	41%	0.409	S	S	.	.	H	α-helix	trans	-64.8	-47	-179.7	-177.8	58.2	-166.5	0	0	112.3	I157 H158 V163 K164 V165	I157-E161 PolarHBondContact O-N 2.86Å; H158-E161 PolarHBondContact O-N 3.3Å; E161-V163 PolarHBondContact O-N 3.09Å; E161-K164 WeakPolarHBondContact O-CB 3.13Å; E161-K164 PolarHBondContact O-N 3.28Å; E161-K164 VanDerWaalsContact O-N 3.07Å; E161-V165 WeakPolarHBondContact O-CG2 3.41Å; E161-V165 PolarHBondContact O-N 3.02Å
162	I	97.3	Very high	97.4	Very high	55 Å²	55	72.2 Å²	72.2	28%	0.282	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-31.8	178.6	-165.4	171.7	0	0	0	112.1	P144 H158 A159 V165 K166	P144-I162 HydrophobicContact CG-CG1 4.46Å; H158-I162 PolarHBondContact O-N 3.32Å; A159-I162 VanDerWaalsContact O-CG2 3.3Å; A159-I162 WeakPolarHBondContact O-CG2 3.42Å; I162-V165 PolarHBondContact O-N 3.44Å; I162-K166 WeakPolarHBondContact O-CB 3.48Å; I162-K166 PolarHBondContact O-N 3.39Å
163	V	97.4	Very high	97.6	Very high	75 Å²	75	68.2 Å²	68.2	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-67.4	-39.4	173.6	170.7	0	0	0	0	111.3	A159 E160 E161 K166 K167	A159-V163 VanDerWaalsContact O-CG2 3.24Å; A159-V163 WeakPolarHBondContact O-CG2 3.46Å; A159-V163 PolarHBondContact O-N 2.83Å; E160-V163 PolarHBondContact O-N 3.33Å; E161-V163 PolarHBondContact O-N 3.09Å; V163-K166 PolarHBondContact O-N 2.73Å; V163-K167 WeakPolarHBondContact O-CG 3.31Å; V163-K167 PolarHBondContact O-N 3.37Å; V163-K167 VanDerWaalsContact O-N 3.13Å
164	K	97.9	Very high	97.7	Very high	121 Å²	121	66 Å²	66	53%	0.526	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-46.2	173.5	-69.7	172	-169.8	166.1	0	111.2	E160 E161 K166 K167 Q168	E160-K164 WeakPolarHBondContact O-CG 3.36Å; E160-K164 PolarHBondContact O-N 3.31Å; E161-K164 WeakPolarHBondContact O-CB 3.13Å; E161-K164 PolarHBondContact O-N 3.28Å; E161-K164 VanDerWaalsContact O-N 3.07Å; K164-K166 PolarHBondContact O-N 3.42Å; K164-K167 PolarHBondContact O-N 3.2Å; K164-Q168 PolarHBondContact O-N 3.34Å
165	V	97.8	Very high	97.7	Very high	23 Å²	23	69.2 Å²	69.2	14%	0.139	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-43.6	176.7	172.2	0	0	0	0	111.2	V88 P144 E161 I162 K167 Q168 I169	V88-V165 HydrophobicContact CG1-CG1 3.71Å; P144-V165 HydrophobicContact CB-CG1 4.31Å; P144-V165 HydrophobicContact CG-CG1 4.26Å; E161-V165 WeakPolarHBondContact O-CG2 3.41Å; E161-V165 PolarHBondContact O-N 3.02Å; I162-V165 PolarHBondContact O-N 3.44Å; V165-K167 PolarHBondContact O-N 2.9Å; V165-Q168 PolarHBondContact O-N 2.81Å; V165-I169 HydrophobicContact CG1-CD1 3.81Å; V165-I169 HydrophobicContact CG1-CG1 4.32Å; V165-I169 WeakPolarHBondContact O-CG1 3.45Å; V165-I169 PolarHBondContact O-N 3.36Å
166	K	98	Very high	97.8	Very high	46 Å²	46	66.7 Å²	66.7	20%	0.2	33%	0.333	C	S	.	.	H	α-helix	trans	-55.4	-49.6	174.2	179.7	174.1	179.1	170.3	0	111.3	Q143 P144 I162 V163 K164 Q168 I169 N170 E189	Q143-K166 HydrophobicContact CB-CD 4.35Å; P144-K166 HydrophobicContact CG-CB 3.83Å; P144-K166 HydrophobicContact CG-CG 4.49Å; I162-K166 WeakPolarHBondContact O-CB 3.48Å; I162-K166 PolarHBondContact O-N 3.39Å; V163-K166 PolarHBondContact O-N 2.73Å; K164-K166 PolarHBondContact O-N 3.42Å; K166-Q168 PolarHBondContact O-N 3.37Å; K166-I169 PolarHBondContact O-N 2.96Å; K166-N170 WeakPolarHBondContact O-CB 3.39Å; K166-N170 PolarHBondContact O-N 2.94Å; K166-N170 PolarHBondContact O-OD1 3.25Å; K166-E189 IonicContact NZ-OE1 3.99Å; K166-E189 IonicContact NZ-OE2 2.75Å; K166-E189 PolarHBondContact NZ-OE2 2.8Å
167	K	98	Very high	97.9	Very high	132 Å²	132	62.7 Å²	62.7	57%	0.574	31%	0.314	S	S	*	.	H	α-helix	trans	-62	-41.7	178	-70.8	177.1	-179.9	-178.6	0	112.6	V163 K164 V165 T171	V163-K167 WeakPolarHBondContact O-CG 3.31Å; V163-K167 PolarHBondContact O-N 3.37Å; V163-K167 VanDerWaalsContact O-N 3.13Å; K164-K167 PolarHBondContact O-N 3.2Å; V165-K167 PolarHBondContact O-N 2.9Å; K167-T171 WeakPolarHBondContact O-CB 3.48Å; K167-T171 PolarHBondContact O-N 2.88Å; K167-T171 VanDerWaalsContact O-N 3.08Å; K167-T171 PolarHBondContact O-OG1 3.36Å
168	Q	98.3	Very high	97.9	Very high	93 Å²	93	61.7 Å²	61.7	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-53.3	177.5	-177.3	-179.1	3.3	0	0	110.8	K164 V165 K166 N170 T171 L172	K164-Q168 PolarHBondContact O-N 3.34Å; V165-Q168 PolarHBondContact O-N 2.81Å; K166-Q168 PolarHBondContact O-N 3.37Å; Q168-N170 VanDerWaalsContact C-N 3.35Å; Q168-N170 PolarHBondContact O-N 3.14Å; Q168-T171 WeakPolarHBondContact O-CB 3.5Å; Q168-T171 PolarHBondContact O-N 2.81Å; Q168-T171 VanDerWaalsContact O-N 3.17Å; Q168-L172 WeakPolarHBondContact O-CG 3.4Å; Q168-L172 PolarHBondContact O-N 3.36Å
169	I	98.3	Very high	97.9	Very high	7 Å²	7	59.6 Å²	59.6	4%	0.036	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-46.3	179.6	-67.7	173.5	0	0	0	110.8	V88 M118 P144 V165 K166 T171 L172 Y173 M188	V88-I169 HydrophobicContact CG1-CD1 3.83Å; V88-I169 HydrophobicContact CG1-CG1 4.47Å; V88-I169 HydrophobicContact CG2-CD1 4.26Å; M118-I169 HydrophobicContact SD-CD1 4.37Å; P144-I169 HydrophobicContact CB-CD1 4.09Å; P144-I169 HydrophobicContact CG-CD1 4.15Å; V165-I169 HydrophobicContact CG1-CD1 3.81Å; V165-I169 HydrophobicContact CG1-CG1 4.32Å; V165-I169 WeakPolarHBondContact O-CG1 3.45Å; V165-I169 PolarHBondContact O-N 3.36Å; K166-I169 PolarHBondContact O-N 2.96Å; I169-T171 VanDerWaalsContact C-N 3.27Å; I169-T171 PolarHBondContact O-N 3.27Å; I169-L172 WeakPolarHBondContact O-CB 3.17Å; I169-L172 PolarHBondContact O-N 2.75Å; I169-Y173 HydrophobicContact CG2-CD2 3.73Å; I169-Y173 HydrophobicContact CG2-CE2 3.55Å; I169-Y173 WeakPolarHBondContact O-CD2 3.42Å; I169-Y173 PolarHBondContact O-N 3.24Å; I169-M188 HydrophobicContact CG2-CE 3.87Å
170	N	98.3	Very high	98	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.011	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-40.3	179.3	-71.2	6.1	0	0	0	111.7	K166 Q168 L172 Y173 V174 L181 I184 E185 M188	K166-N170 WeakPolarHBondContact O-CB 3.39Å; K166-N170 PolarHBondContact O-N 2.94Å; K166-N170 PolarHBondContact O-OD1 3.25Å; Q168-N170 VanDerWaalsContact C-N 3.35Å; Q168-N170 PolarHBondContact O-N 3.14Å; N170-L172 VanDerWaalsContact C-N 3.32Å; N170-L172 PolarHBondContact O-N 2.75Å; N170-Y173 PolarHBondContact O-N 2.96Å; N170-V174 WeakPolarHBondContact O-CG2 3.45Å; N170-V174 PolarHBondContact O-N 2.82Å; N170-L181 HydrophobicContact CB-CD1 3.91Å; N170-I184 HydrophobicContact CB-CG2 3.92Å; N170-E185 VanDerWaalsContact ND2-CG 3.34Å; N170-E185 WeakPolarHBondContact ND2-CG 3.27Å; N170-M188 PolarHBondContact OD1-SD 3.04Å; N170-M188 VanDerWaalsContact OD1-SD 3.39Å
171	T	98.5	Very high	98	Very high	82 Å²	82	59.9 Å²	59.9	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-36.5	176.4	-59.3	0	0	0	0	111.8	K167 Q168 I169 V174 K175	K167-T171 WeakPolarHBondContact O-CB 3.48Å; K167-T171 PolarHBondContact O-N 2.88Å; K167-T171 VanDerWaalsContact O-N 3.08Å; K167-T171 PolarHBondContact O-OG1 3.36Å; Q168-T171 WeakPolarHBondContact O-CB 3.5Å; Q168-T171 PolarHBondContact O-N 2.81Å; Q168-T171 VanDerWaalsContact O-N 3.17Å; I169-T171 VanDerWaalsContact C-N 3.27Å; I169-T171 PolarHBondContact O-N 3.27Å; T171-V174 PolarHBondContact O-N 3.02Å; T171-K175 PolarHBondContact O-N 3.23Å
172	L	98.5	Very high	98	Very high	24 Å²	24	64 Å²	64	13%	0.126	33%	0.329	C	S	.	.	H	α-helix	trans	-66.7	-39.5	174	-60.4	-176.9	0	0	0	111.8	L92 Y95 L121 Q168 I169 N170 K175 H176	L92-L172 HydrophobicContact CD2-CD1 3.64Å; Y95-L172 HydrophobicContact CD1-CD1 4.23Å; Y95-L172 HydrophobicContact CE1-CD1 3.98Å; Y95-L172 HydrophobicContact CE1-CD2 3.93Å; Y95-L172 HydrophobicContact CE2-CD1 4.37Å; Y95-L172 WeakPolarHBondContact OH-CD2 3.49Å; L121-L172 HydrophobicContact CD1-CB 3.8Å; L121-L172 HydrophobicContact CD2-CB 4.49Å; L121-L172 HydrophobicContact CD2-CD1 3.97Å; Q168-L172 WeakPolarHBondContact O-CG 3.4Å; Q168-L172 PolarHBondContact O-N 3.36Å; I169-L172 WeakPolarHBondContact O-CB 3.17Å; I169-L172 PolarHBondContact O-N 2.75Å; N170-L172 VanDerWaalsContact C-N 3.32Å; N170-L172 PolarHBondContact O-N 2.75Å; L172-K175 WeakPolarHBondContact O-CB 3.41Å; L172-K175 PolarHBondContact O-N 2.84Å; L172-H176 PolarHBondContact O-CD2 2.94Å; L172-H176 PolarHBondContact O-N 2.91Å
173	Y	98.6	Very high	98.1	Very high	3 Å²	3	65.2 Å²	65.2	1%	0.012	33%	0.333	C	S	.	.	H	α-helix	trans	-62.6	-47.4	172.9	-83.4	-74.6	0	0	0	111.6	S117 S120 L121 I141 I169 N170 K175 H176 T177 M188 L204	S117-Y173 PolarHBondContact O-OH 3.01Å; S120-Y173 PolarHBondContact OG-OH 3.05Å; L121-Y173 HydrophobicContact CB-CE1 4.39Å; L121-Y173 HydrophobicContact CB-CE2 4.21Å; L121-Y173 HydrophobicContact CD1-CD1 4.45Å; L121-Y173 HydrophobicContact CD1-CD2 4.25Å; L121-Y173 HydrophobicContact CD1-CE1 4.38Å; L121-Y173 HydrophobicContact CD1-CE2 4.17Å; L121-Y173 HydrophobicContact CD1-CG 4.39Å; L121-Y173 PolarHBondContact N-OH 2.75Å; I141-Y173 HydrophobicContact CG2-CE1 3.7Å; I169-Y173 HydrophobicContact CG2-CD2 3.73Å; I169-Y173 HydrophobicContact CG2-CE2 3.55Å; I169-Y173 WeakPolarHBondContact O-CD2 3.42Å; I169-Y173 PolarHBondContact O-N 3.24Å; N170-Y173 PolarHBondContact O-N 2.96Å; Y173-K175 VanDerWaalsContact C-N 3.26Å; Y173-K175 PolarHBondContact O-N 3.48Å; Y173-H176 PolarHBondContact O-N 2.89Å; Y173-H176 VanDerWaalsContact O-N 3.09Å; Y173-T177 WeakPolarHBondContact O-CB 3.36Å; Y173-T177 WeakPolarHBondContact O-CG2 3.47Å; Y173-T177 PolarHBondContact O-N 3.37Å; Y173-T177 PolarHBondContact O-OG1 2.69Å; Y173-M188 HydrophobicContact CD2-CE 3.73Å; Y173-M188 HydrophobicContact CD2-SD 3.49Å; Y173-M188 WeakPolarHBondContact CD2-SD 3.28Å; Y173-M188 HydrophobicContact CE2-CE 3.51Å; Y173-M188 HydrophobicContact CE2-SD 3.84Å; Y173-M188 HydrophobicContact CG-SD 4.09Å; Y173-L204 HydrophobicContact CD1-CD2 3.76Å; Y173-L204 HydrophobicContact CE1-CD2 3.66Å
174	V	98.4	Very high	98.1	Very high	41 Å²	41	61.7 Å²	61.7	25%	0.248	31%	0.312	C	S	.	.	H	α-helix	trans	-51.5	-47	174.1	166.4	0	0	0	0	111.1	N170 T171 H176 G178 K179 L181 I184	N170-V174 WeakPolarHBondContact O-CG2 3.45Å; N170-V174 PolarHBondContact O-N 2.82Å; T171-V174 PolarHBondContact O-N 3.02Å; V174-H176 VanDerWaalsContact C-N 3.29Å; V174-H176 PolarHBondContact O-N 3.21Å; V174-G178 PolarHBondContact O-N 2.79Å; V174-K179 WeakPolarHBondContact CG1-O 3.49Å; V174-L181 HydrophobicContact CG2-CB 4.18Å; V174-L181 HydrophobicContact CG2-CD1 4.21Å; V174-I184 HydrophobicContact CG2-CB 4.21Å; V174-I184 HydrophobicContact CG2-CG1 3.7Å
175	K	98.2	Very high	98.1	Very high	128 Å²	128	59.5 Å²	59.5	56%	0.557	30%	0.304	S	S	*	.	H	α-helix	trans	-56.8	-39.9	179.6	178.6	-175.4	177	-175.9	0	113	T171 L172 Y173	T171-K175 PolarHBondContact O-N 3.23Å; L172-K175 WeakPolarHBondContact O-CB 3.41Å; L172-K175 PolarHBondContact O-N 2.84Å; Y173-K175 VanDerWaalsContact C-N 3.26Å; Y173-K175 PolarHBondContact O-N 3.48Å
176	H	98.2	Very high	98.1	Very high	20 Å²	20	63.9 Å²	63.9	9%	0.093	33%	0.326	C	S	.	.	H	α-helix	trans	-98	-24.6	-172.2	-66.4	-60.4	0	0	0	114.1	Y95 A124 R131 L172 Y173 V174	Y95-H176 AromaticContact CE2-CD2 3.94Å; Y95-H176 AromaticContact CE2-NE2 3.26Å; Y95-H176 VanDerWaalsContact CE2-NE2 3.26Å; Y95-H176 WeakPolarHBondContact CE2-NE2 3.44Å; Y95-H176 AromaticContact CZ-NE2 3.5Å; Y95-H176 PolarHBondContact OH-NE2 3.11Å; A124-H176 HydrophobicContact CB-CB 4.09Å; A124-H176 WeakPolarHBondContact O-CB 3.48Å; R131-H176 PolarHBondContact NH1-O 2.89Å; L172-H176 PolarHBondContact O-CD2 2.94Å; L172-H176 PolarHBondContact O-N 2.91Å; Y173-H176 PolarHBondContact O-N 2.89Å; Y173-H176 VanDerWaalsContact O-N 3.09Å; V174-H176 VanDerWaalsContact C-N 3.29Å; V174-H176 PolarHBondContact O-N 3.21Å
177	T	97.9	Very high	98.1	Very high	20 Å²	20	62 Å²	62	12%	0.123	32%	0.319	C	S	.	.	H	α-helix	trans	-93.7	-23.6	178.5	64.4	0	0	0	0	113.1	Y173 K179 F202 L204	Y173-T177 WeakPolarHBondContact O-CB 3.36Å; Y173-T177 WeakPolarHBondContact O-CG2 3.47Å; Y173-T177 PolarHBondContact O-N 3.37Å; Y173-T177 PolarHBondContact O-OG1 2.69Å; T177-K179 PolarHBondContact O-N 3.27Å; T177-K179 WeakPolarHBondContact OG1-CB 3.5Å; T177-K179 PolarHBondContact OG1-N 2.85Å; T177-F202 HydrophobicContact CG2-CD1 4.2Å; T177-F202 HydrophobicContact CG2-CE1 4.3Å; T177-L204 HydrophobicContact CG2-CD2 3.7Å; T177-L204 HydrophobicContact CG2-CG 4.19Å
178	G	97.1	Very high	98.1	Very high	72 Å²	72	55.7 Å²	55.7	74%	0.742	29%	0.292	S	S	*	.			trans	73.7	5	-172.2	0	0	0	0	0	114.2	V174	V174-G178 PolarHBondContact O-N 2.79Å
179	K	97.9	Very high	98.1	Very high	58 Å²	58	55.3 Å²	55.3	25%	0.252	29%	0.29	S	S	.	.			trans	-72.4	156.4	174	-66.6	-71.1	-177.8	-175.3	0	111.1	V174 T177 E183 I184 F202	V174-K179 WeakPolarHBondContact CG1-O 3.49Å; T177-K179 PolarHBondContact O-N 3.27Å; T177-K179 WeakPolarHBondContact OG1-CB 3.5Å; T177-K179 PolarHBondContact OG1-N 2.85Å; K179-E183 HydrophobicContact CB-CB 4.27Å; K179-E183 WeakPolarHBondContact CD-OE1 3.26Å; K179-E183 IonicContact NZ-OE1 3.91Å; K179-I184 HydrophobicContact CB-CD1 3.78Å; K179-I184 HydrophobicContact CB-CG1 3.97Å; K179-I184 HydrophobicContact CG-CD1 4.26Å; K179-F202 HydrophobicContact CG-CE1 4.49Å
180	T	98.2	Very high	98	Very high	79 Å²	79	64.4 Å²	64.4	49%	0.485	32%	0.324	S	S	.	.			trans	-69.1	155.4	172.3	64.5	0	0	0	0	111.3	R182 E183 I184	T180-R182 PolarHBondContact O-N 3.17Å; T180-E183 WeakPolarHBondContact CB-OE2 3.3Å; T180-E183 WeakPolarHBondContact CG2-OE2 3.36Å; T180-E183 PolarHBondContact N-OE2 3.46Å; T180-E183 PolarHBondContact O-N 2.91Å; T180-E183 VanDerWaalsContact OG1-CG 3.27Å; T180-E183 WeakPolarHBondContact OG1-CG 3.43Å; T180-E183 PolarHBondContact OG1-N 2.83Å; T180-E183 PolarHBondContact OG1-OE2 3.12Å; T180-I184 PolarHBondContact O-N 3.39Å; T180-I184 VanDerWaalsContact O-N 3.11Å
181	L	98.2	Very high	98	Very high	78 Å²	78	68.8 Å²	68.8	41%	0.408	35%	0.347	S	S	.	.	H	α-helix	trans	-55.4	-41.1	177.3	179.1	62.1	0	0	0	112.1	N170 V174 I184 E185	N170-L181 HydrophobicContact CB-CD1 3.91Å; V174-L181 HydrophobicContact CG2-CB 4.18Å; V174-L181 HydrophobicContact CG2-CD1 4.21Å; L181-I184 PolarHBondContact O-N 3.05Å; L181-E185 HydrophobicContact CD1-CG 4.28Å; L181-E185 HydrophobicContact CG-CG 4.39Å; L181-E185 WeakPolarHBondContact O-CG 3.41Å; L181-E185 PolarHBondContact O-N 3.08Å
182	R	98	Very high	98	Very high	185 Å²	185	70.1 Å²	70.1	70%	0.698	34%	0.343	S	S	*	.	H	α-helix	trans	-62.4	-45.5	178.3	-175.8	178	178.4	177	2.1	112.2	T180 I184 E185 D186	T180-R182 PolarHBondContact O-N 3.17Å; R182-I184 VanDerWaalsContact C-N 3.27Å; R182-I184 PolarHBondContact O-N 2.87Å; R182-E185 PolarHBondContact O-N 3.26Å; R182-D186 WeakPolarHBondContact O-CB 3.42Å; R182-D186 PolarHBondContact O-N 3.33Å
183	E	98.1	Very high	98	Very high	81 Å²	81	74.3 Å²	74.3	38%	0.379	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-38.2	176.1	-74.7	169.7	106.5	0	0	112	K179 T180 A187	K179-E183 HydrophobicContact CB-CB 4.27Å; K179-E183 WeakPolarHBondContact CD-OE1 3.26Å; K179-E183 IonicContact NZ-OE1 3.91Å; T180-E183 WeakPolarHBondContact CB-OE2 3.3Å; T180-E183 WeakPolarHBondContact CG2-OE2 3.36Å; T180-E183 PolarHBondContact N-OE2 3.46Å; T180-E183 PolarHBondContact O-N 2.91Å; T180-E183 VanDerWaalsContact OG1-CG 3.27Å; T180-E183 WeakPolarHBondContact OG1-CG 3.43Å; T180-E183 PolarHBondContact OG1-N 2.83Å; T180-E183 PolarHBondContact OG1-OE2 3.12Å; E183-A187 WeakPolarHBondContact O-CB 3.35Å; E183-A187 PolarHBondContact O-N 3.01Å
184	I	98.5	Very high	98	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-68.3	-45.5	176.2	-67	-55.1	0	0	0	111.3	N170 V174 K179 T180 L181 R182 A187 M188 F202	N170-I184 HydrophobicContact CB-CG2 3.92Å; V174-I184 HydrophobicContact CG2-CB 4.21Å; V174-I184 HydrophobicContact CG2-CG1 3.7Å; K179-I184 HydrophobicContact CB-CD1 3.78Å; K179-I184 HydrophobicContact CB-CG1 3.97Å; K179-I184 HydrophobicContact CG-CD1 4.26Å; T180-I184 PolarHBondContact O-N 3.39Å; T180-I184 VanDerWaalsContact O-N 3.11Å; L181-I184 PolarHBondContact O-N 3.05Å; R182-I184 VanDerWaalsContact C-N 3.27Å; R182-I184 PolarHBondContact O-N 2.87Å; I184-A187 PolarHBondContact O-N 3.39Å; I184-M188 HydrophobicContact CG2-CG 4.25Å; I184-M188 HydrophobicContact CG2-SD 3.5Å; I184-M188 WeakPolarHBondContact CG2-SD 3.31Å; I184-M188 VanDerWaalsContact O-CB 3.31Å; I184-M188 WeakPolarHBondContact O-CB 3.06Å; I184-M188 VanDerWaalsContact O-CG 3.29Å; I184-M188 WeakPolarHBondContact O-CG 3.4Å; I184-M188 PolarHBondContact O-N 2.94Å; I184-F202 HydrophobicContact CD1-CE1 3.68Å; I184-F202 HydrophobicContact CD1-CZ 3.8Å
185	E	98	Very high	98	Very high	76 Å²	76	74.7 Å²	74.7	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-58.5	-49.4	177	-76.7	173.6	162.3	0	0	111.6	N170 L181 R182 A187 M188 E189	N170-E185 VanDerWaalsContact ND2-CG 3.34Å; N170-E185 WeakPolarHBondContact ND2-CG 3.27Å; L181-E185 HydrophobicContact CD1-CG 4.28Å; L181-E185 HydrophobicContact CG-CG 4.39Å; L181-E185 WeakPolarHBondContact O-CG 3.41Å; L181-E185 PolarHBondContact O-N 3.08Å; R182-E185 PolarHBondContact O-N 3.26Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.28Å; E185-M188 PolarHBondContact O-N 3.16Å; E185-E189 PolarHBondContact O-N 3.27Å
186	D	97.9	Very high	98	Very high	115 Å²	115	69 Å²	69	62%	0.615	34%	0.341	S	S	*	.	H	α-helix	trans	-62.4	-38.8	177.9	-69.9	-22.3	0	0	0	111.4	R182	R182-D186 WeakPolarHBondContact O-CB 3.42Å; R182-D186 PolarHBondContact O-N 3.33Å
187	A	97.8	Very high	98	Very high	5 Å²	5	74.9 Å²	74.9	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-74.1	-26.1	-179.5	0	0	0	0	0	114.2	I141 E183 I184 E185 R192 F202	I141-A187 HydrophobicContact CD1-CB 4.01Å; E183-A187 WeakPolarHBondContact O-CB 3.35Å; E183-A187 PolarHBondContact O-N 3.01Å; I184-A187 PolarHBondContact O-N 3.39Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.28Å; A187-R192 VanDerWaalsContact CB-NH1 3.25Å; A187-R192 VanDerWaalsContact O-CB 3.3Å; A187-R192 WeakPolarHBondContact O-CB 3.3Å; A187-F202 HydrophobicContact CB-CE2 3.92Å; A187-F202 HydrophobicContact CB-CZ 3.67Å
188	M	97.7	Very high	98	Very high	1 Å²	1	78.5 Å²	78.5	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-101.3	-9.2	-175.9	-69.1	-177.5	66.7	0	0	113.6	I141 H142 Q143 I169 N170 Y173 I184 E185 R190	I141-M188 HydrophobicContact CB-CG 4.17Å; I141-M188 HydrophobicContact CD1-CG 3.85Å; I141-M188 HydrophobicContact CG1-CG 4.06Å; H142-M188 CarbonylContact C-O 3.51Å; H142-M188 WeakPolarHBondContact CA-O 3.49Å; H142-M188 WeakPolarHBondContact O-CE 3.44Å; Q143-M188 PolarHBondContact N-O 3.03Å; I169-M188 HydrophobicContact CG2-CE 3.87Å; N170-M188 PolarHBondContact OD1-SD 3.04Å; N170-M188 VanDerWaalsContact OD1-SD 3.39Å; Y173-M188 HydrophobicContact CD2-CE 3.73Å; Y173-M188 HydrophobicContact CD2-SD 3.49Å; Y173-M188 WeakPolarHBondContact CD2-SD 3.28Å; Y173-M188 HydrophobicContact CE2-CE 3.51Å; Y173-M188 HydrophobicContact CE2-SD 3.84Å; Y173-M188 HydrophobicContact CG-SD 4.09Å; I184-M188 HydrophobicContact CG2-CG 4.25Å; I184-M188 HydrophobicContact CG2-SD 3.5Å; I184-M188 WeakPolarHBondContact CG2-SD 3.31Å; I184-M188 VanDerWaalsContact O-CB 3.31Å; I184-M188 WeakPolarHBondContact O-CB 3.06Å; I184-M188 VanDerWaalsContact O-CG 3.29Å; I184-M188 WeakPolarHBondContact O-CG 3.4Å; I184-M188 PolarHBondContact O-N 2.94Å; E185-M188 PolarHBondContact O-N 3.16Å; M188-R190 PolarHBondContact O-N 3.11Å; M188-R190 VanDerWaalsContact O-N 3.17Å
189	E	97.3	Very high	98.1	Very high	85 Å²	85	75.1 Å²	75.1	40%	0.397	35%	0.346	S	S	.	.	S	Bend	trans	-59.5	-30	-178.3	-169.9	54.1	-142.4	0	0	112.4	Q143 K166 E185	Q143-E189 VanDerWaalsContact NE2-CD 3.3Å; Q143-E189 PolarHBondContact NE2-O 2.95Å; Q143-E189 PolarHBondContact NE2-OE1 2.74Å; K166-E189 IonicContact NZ-OE1 3.99Å; K166-E189 IonicContact NZ-OE2 2.75Å; K166-E189 PolarHBondContact NZ-OE2 2.8Å; E185-E189 PolarHBondContact O-N 3.27Å
190	R	97.5	Very high	98.1	Very high	198 Å²	198	74.3 Å²	74.3	75%	0.747	35%	0.348	S	S	*	.	S	Bend	trans	-128.8	165.9	170.2	-62.3	-63.8	-179.3	179.5	-1.3	110	M188 R192	M188-R190 PolarHBondContact O-N 3.11Å; M188-R190 VanDerWaalsContact O-N 3.17Å; R190-R192 PolarHBondContact O-N 3.42Å; R190-R192 VanDerWaalsContact O-N 3.09Å
191	D	98.4	Very high	98.1	Very high	94 Å²	94	76.6 Å²	76.6	50%	0.503	35%	0.353	S	S	.	.			trans	-57	116.4	173.7	-71.1	3.8	0	0	0	110	H142 F193	H142-D191 VanDerWaalsContact CB-OD1 3.25Å; H142-D191 WeakPolarHBondContact CB-OD1 3.42Å; H142-D191 IonicContact CG-OD1 3.46Å; H142-D191 IonicContact ND1-OD1 2.88Å; H142-D191 PolarHBondContact ND1-OD1 2.9Å; D191-F193 HydrophobicContact CB-CE2 3.87Å
192	R	98.4	Very high	98.1	Very high	109 Å²	109	73.5 Å²	73.5	41%	0.411	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	105.4	178.1	-176.8	176.9	179.4	159.3	1.1	109.7	M140 I141 A187 R190 M194	M140-R192 VanDerWaalsContact CA-O 3.3Å; M140-R192 WeakPolarHBondContact CA-O 3.28Å; I141-R192 HydrophobicContact CG1-CB 4.03Å; I141-R192 PolarHBondContact N-O 3.46Å; I141-R192 VanDerWaalsContact N-O 3.1Å; I141-R192 PolarHBondContact O-N 2.91Å; A187-R192 VanDerWaalsContact CB-NH1 3.25Å; A187-R192 VanDerWaalsContact O-CB 3.3Å; A187-R192 WeakPolarHBondContact O-CB 3.3Å; R190-R192 PolarHBondContact O-N 3.42Å; R190-R192 VanDerWaalsContact O-N 3.09Å; R192-M194 HydrophobicContact CG-CE 4.25Å
193	F	98.5	Very high	98.1	Very high	112 Å²	112	65.4 Å²	65.4	49%	0.491	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	141.5	174.3	-63.7	-91.7	0	0	0	110.5	V139 M140 D191	V139-F193 CarbonylContact O-C 3.39Å; M140-F193 HydrophobicContact CB-CD1 3.75Å; M140-F193 HydrophobicContact CB-CE1 3.92Å; M140-F193 HydrophobicContact CB-CG 4.35Å; M140-F193 HydrophobicContact CG-CD1 3.77Å; M140-F193 HydrophobicContact CG-CD2 4.29Å; M140-F193 HydrophobicContact CG-CE1 3.68Å; M140-F193 HydrophobicContact CG-CE2 4.21Å; M140-F193 HydrophobicContact CG-CG 4.08Å; M140-F193 HydrophobicContact CG-CZ 3.91Å; D191-F193 HydrophobicContact CB-CE2 3.87Å
194	M	98.6	Very high	98.1	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.5	-178.5	-71.3	176.5	-97.8	0	0	109.8	V139 I141 R192 E198 A199 F202 L204	V139-M194 PolarHBondContact N-O 3.2Å; V139-M194 PolarHBondContact O-N 3.11Å; I141-M194 HydrophobicContact CB-CE 4.47Å; I141-M194 HydrophobicContact CD1-CE 3.65Å; I141-M194 HydrophobicContact CG1-CE 3.65Å; I141-M194 HydrophobicContact CG2-CE 4.15Å; R192-M194 HydrophobicContact CG-CE 4.25Å; M194-E198 HydrophobicContact CB-CB 3.91Å; M194-E198 HydrophobicContact CG-CB 4.08Å; M194-A199 HydrophobicContact CB-CB 4.29Å; M194-F202 HydrophobicContact SD-CB 3.87Å; M194-F202 HydrophobicContact SD-CD1 4.48Å; M194-F202 HydrophobicContact SD-CD2 4.24Å; M194-F202 HydrophobicContact SD-CG 3.95Å; M194-L204 HydrophobicContact CE-CD1 3.63Å; M194-L204 HydrophobicContact SD-CD1 4.16Å
195	S	98.3	Very high	98.1	Very high	47 Å²	47	61.6 Å²	61.6	33%	0.329	29%	0.293	S	S	.	.			trans	-63.6	165.8	160.8	64.9	0	0	0	0	110.8	K197 E198 A199	S195-K197 PolarHBondContact O-N 3.24Å; S195-E198 VanDerWaalsContact CB-OE2 3.28Å; S195-E198 WeakPolarHBondContact CB-OE2 3.31Å; S195-E198 PolarHBondContact N-OE2 2.87Å; S195-E198 PolarHBondContact O-N 2.82Å; S195-E198 VanDerWaalsContact OG-CD 3.31Å; S195-E198 VanDerWaalsContact OG-CG 3.28Å; S195-E198 WeakPolarHBondContact OG-CG 3.3Å; S195-E198 PolarHBondContact OG-N 3.02Å; S195-E198 PolarHBondContact OG-OE2 2.91Å; S195-A199 WeakPolarHBondContact O-CB 3.48Å; S195-A199 PolarHBondContact O-N 2.84Å
196	P	98.2	Very high	98	Very high	9 Å²	9	59.9 Å²	59.9	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-36.4	177.4	-28.5	40.3	0	0	0	112.9	C133 L134 P135 A137 S200 V208	C133-P196 HydrophobicContact CB-CB 3.92Å; L134-P196 WeakPolarHBondContact O-CG 3.48Å; P135-P196 WeakPolarHBondContact O-CG 3.43Å; A137-P196 WeakPolarHBondContact O-CD 3.19Å; A137-P196 WeakPolarHBondContact O-CG 3.16Å; P196-S200 PolarHBondContact O-N 2.8Å; P196-V208 HydrophobicContact CB-CB 4.39Å; P196-V208 HydrophobicContact CB-CG1 3.78Å; P196-V208 HydrophobicContact CB-CG2 3.66Å; P196-V208 WeakPolarHBondContact O-CG2 3.43Å
197	K	98	Very high	97.9	Very high	142 Å²	142	59.1 Å²	59.1	62%	0.617	28%	0.277	S	S	*	.	H	α-helix	trans	-67.2	-49	177.1	-173.3	-179.6	177.7	-173.8	0	111.3	S195 A199 S200 E201	S195-K197 PolarHBondContact O-N 3.24Å; K197-A199 VanDerWaalsContact C-N 3.29Å; K197-A199 PolarHBondContact O-N 2.99Å; K197-S200 WeakPolarHBondContact O-CB 3.43Å; K197-S200 PolarHBondContact O-N 3.21Å; K197-S200 VanDerWaalsContact O-N 3.12Å; K197-E201 WeakPolarHBondContact CE-OE1 3.27Å; K197-E201 WeakPolarHBondContact O-CG 3.46Å; K197-E201 PolarHBondContact O-N 3.26Å
198	E	98.3	Very high	97.9	Very high	97 Å²	97	61.6 Å²	61.6	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-38.2	176.3	-70.3	164.2	134.2	0	0	111.6	M194 S195 S200 E201 F202	M194-E198 HydrophobicContact CB-CB 3.91Å; M194-E198 HydrophobicContact CG-CB 4.08Å; S195-E198 VanDerWaalsContact CB-OE2 3.28Å; S195-E198 WeakPolarHBondContact CB-OE2 3.31Å; S195-E198 PolarHBondContact N-OE2 2.87Å; S195-E198 PolarHBondContact O-N 2.82Å; S195-E198 VanDerWaalsContact OG-CD 3.31Å; S195-E198 VanDerWaalsContact OG-CG 3.28Å; S195-E198 WeakPolarHBondContact OG-CG 3.3Å; S195-E198 PolarHBondContact OG-N 3.02Å; S195-E198 PolarHBondContact OG-OE2 2.91Å; E198-S200 VanDerWaalsContact C-N 3.31Å; E198-S200 PolarHBondContact O-N 3.42Å; E198-E201 PolarHBondContact O-N 3.35Å; E198-F202 VanDerWaalsContact O-CB 3.26Å; E198-F202 WeakPolarHBondContact O-CB 3.49Å; E198-F202 PolarHBondContact O-N 2.79Å
199	A	98.4	Very high	97.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-35	175.6	0	0	0	0	0	112.3	V139 M194 S195 K197 G203 L204 V205	V139-A199 HydrophobicContact CB-CB 3.9Å; V139-A199 HydrophobicContact CG1-CB 4.46Å; V139-A199 HydrophobicContact CG2-CB 3.7Å; M194-A199 HydrophobicContact CB-CB 4.29Å; S195-A199 WeakPolarHBondContact O-CB 3.48Å; S195-A199 PolarHBondContact O-N 2.84Å; K197-A199 VanDerWaalsContact C-N 3.29Å; K197-A199 PolarHBondContact O-N 2.99Å; A199-G203 PolarHBondContact O-N 2.98Å; A199-L204 HydrophobicContact CB-CB 4.4Å; A199-L204 WeakPolarHBondContact O-CB 3.23Å; A199-L204 PolarHBondContact O-N 3.22Å; A199-V205 HydrophobicContact CB-CG2 4.09Å; A199-V205 PolarHBondContact O-N 3.07Å
200	S	97.7	Very high	97.6	Very high	41 Å²	41	66.8 Å²	66.8	29%	0.287	32%	0.317	S	S	.	.	H	α-helix	trans	-66.7	-50	173.3	-173.7	0	0	0	0	111.3	P196 K197 E198 F202 G203 V205	P196-S200 PolarHBondContact O-N 2.8Å; K197-S200 WeakPolarHBondContact O-CB 3.43Å; K197-S200 PolarHBondContact O-N 3.21Å; K197-S200 VanDerWaalsContact O-N 3.12Å; E198-S200 VanDerWaalsContact C-N 3.31Å; E198-S200 PolarHBondContact O-N 3.42Å; S200-F202 PolarHBondContact O-N 2.9Å; S200-G203 WeakPolarHBondContact O-CA 3.3Å; S200-G203 PolarHBondContact O-N 2.7Å; S200-V205 WeakPolarHBondContact CA-O 3.34Å
201	E	97.9	Very high	97.3	Very high	127 Å²	127	63.8 Å²	63.8	59%	0.593	31%	0.311	S	S	*	.	H	α-helix	trans	-61.3	-31.5	176.6	-69.1	170.7	-177	0	0	112.6	K197 E198 G203	K197-E201 WeakPolarHBondContact CE-OE1 3.27Å; K197-E201 WeakPolarHBondContact O-CG 3.46Å; K197-E201 PolarHBondContact O-N 3.26Å; E198-E201 PolarHBondContact O-N 3.35Å; E201-G203 VanDerWaalsContact C-N 3.31Å
202	F	98	Very high	96.7	Very high	14 Å²	14	64.2 Å²	64.2	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-76	-18.3	174.6	-161.2	-92.2	0	0	0	113.2	I141 T177 K179 I184 A187 M194 E198 S200 L204	I141-F202 HydrophobicContact CD1-CE1 3.83Å; I141-F202 HydrophobicContact CD1-CZ 3.87Å; T177-F202 HydrophobicContact CG2-CD1 4.2Å; T177-F202 HydrophobicContact CG2-CE1 4.3Å; K179-F202 HydrophobicContact CG-CE1 4.49Å; I184-F202 HydrophobicContact CD1-CE1 3.68Å; I184-F202 HydrophobicContact CD1-CZ 3.8Å; A187-F202 HydrophobicContact CB-CE2 3.92Å; A187-F202 HydrophobicContact CB-CZ 3.67Å; M194-F202 HydrophobicContact SD-CB 3.87Å; M194-F202 HydrophobicContact SD-CD1 4.48Å; M194-F202 HydrophobicContact SD-CD2 4.24Å; M194-F202 HydrophobicContact SD-CG 3.95Å; E198-F202 VanDerWaalsContact O-CB 3.26Å; E198-F202 WeakPolarHBondContact O-CB 3.49Å; E198-F202 PolarHBondContact O-N 2.79Å; S200-F202 PolarHBondContact O-N 2.9Å; F202-L204 HydrophobicContact CD1-CD1 4.01Å; F202-L204 HydrophobicContact CD1-CG 3.93Å
203	G	97.9	Very high	95.6	Very high	14 Å²	14	61.7 Å²	61.7	14%	0.144	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	12.9	179.8	0	0	0	0	0	115.2	R131 A199 S200 E201	R131-G203 PolarHBondContact NH1-O 3.29Å; R131-G203 VanDerWaalsContact NH1-O 3.14Å; R131-G203 PolarHBondContact NH2-O 3.21Å; A199-G203 PolarHBondContact O-N 2.98Å; S200-G203 WeakPolarHBondContact O-CA 3.3Å; S200-G203 PolarHBondContact O-N 2.7Å; E201-G203 VanDerWaalsContact C-N 3.31Å
204	L	98.2	Very high	94.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	-78.5	-29.9	177.2	-68.2	167.2	0	0	0	112.5	A124 V139 I141 Y173 T177 M194 A199 F202	A124-L204 WeakPolarHBondContact CA-O 3.41Å; A124-L204 HydrophobicContact CB-CD2 3.86Å; V139-L204 HydrophobicContact CG1-CD1 3.71Å; I141-L204 HydrophobicContact CG2-CD1 3.96Å; I141-L204 HydrophobicContact CG2-CD2 4.49Å; Y173-L204 HydrophobicContact CD1-CD2 3.76Å; Y173-L204 HydrophobicContact CE1-CD2 3.66Å; T177-L204 HydrophobicContact CG2-CD2 3.7Å; T177-L204 HydrophobicContact CG2-CG 4.19Å; M194-L204 HydrophobicContact CE-CD1 3.63Å; M194-L204 HydrophobicContact SD-CD1 4.16Å; A199-L204 HydrophobicContact CB-CB 4.4Å; A199-L204 WeakPolarHBondContact O-CB 3.23Å; A199-L204 PolarHBondContact O-N 3.22Å; F202-L204 HydrophobicContact CD1-CD1 4.01Å; F202-L204 HydrophobicContact CD1-CG 3.93Å
205	V	98.2	Very high	93.1	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.012	36%	0.359	C	S	.	.			trans	-133	160	175.7	-63.6	0	0	0	0	109.7	L123 R131 C133 A199 S200	L123-V205 HydrophobicContact CD1-CG1 3.95Å; L123-V205 HydrophobicContact CD2-CG1 3.53Å; L123-V205 HydrophobicContact CG-CG1 3.71Å; R131-V205 HydrophobicContact CB-CB 4.4Å; R131-V205 HydrophobicContact CB-CG1 4.5Å; C133-V205 HydrophobicContact CB-CB 4.44Å; C133-V205 HydrophobicContact CB-CG1 4.15Å; C133-V205 HydrophobicContact CB-CG2 4.09Å; A199-V205 HydrophobicContact CB-CG2 4.09Å; A199-V205 PolarHBondContact O-N 3.07Å; S200-V205 WeakPolarHBondContact CA-O 3.34Å
206	D	97.9	Very high	91.3	Very high	39 Å²	39	77.1 Å²	77.1	21%	0.209	38%	0.376	C	S	.	.	S	Bend	trans	-99.4	-32.5	178.9	-52.7	-61	0	0	0	111.7	H128 G129 Y130 R131	H128-D206 IonicContact CE1-OD1 3.07Å; H128-D206 IonicContact ND1-OD1 3.22Å; G129-D206 VanDerWaalsContact CA-OD2 3.3Å; G129-D206 WeakPolarHBondContact CA-OD2 3.43Å; G129-D206 PolarHBondContact N-OD2 3.11Å; Y130-D206 PolarHBondContact N-OD2 3.18Å; R131-D206 VanDerWaalsContact CB-OD2 3.23Å; R131-D206 WeakPolarHBondContact CB-OD2 3.17Å; R131-D206 VanDerWaalsContact CG-OD2 3.31Å; R131-D206 WeakPolarHBondContact CG-OD2 3.41Å; R131-D206 IonicContact CZ-OD1 3.21Å; R131-D206 IonicContact CZ-OD2 2.9Å; R131-D206 PolarHBondContact N-OD2 2.76Å; R131-D206 VanDerWaalsContact NE-CG 3.35Å; R131-D206 IonicContact NE-OD1 3.78Å; R131-D206 PolarHBondContact NE-OD1 3.2Å; R131-D206 IonicContact NE-OD2 2.7Å; R131-D206 PolarHBondContact NE-OD2 3.35Å; R131-D206 IonicContact NH2-OD1 3.52Å; R131-D206 PolarHBondContact NH2-OD1 3.11Å; R131-D206 IonicContact NH2-OD2 3.36Å; R131-D206 PolarHBondContact O-N 3.34Å
207	K	95.7	Very high	89.5	Confident	100 Å²	100	81.8 Å²	81.8	44%	0.435	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.3	-171	-61.1	175.5	-174.1	168.1	0	111.8	G129 R131 T132 C133 L209	G129-K207 VanDerWaalsContact O-CE 3.31Å; G129-K207 WeakPolarHBondContact O-CE 3.31Å; G129-K207 PolarHBondContact O-NZ 3.15Å; G129-K207 VanDerWaalsContact O-NZ 3.15Å; R131-K207 PolarHBondContact O-N 2.88Å; R131-K207 VanDerWaalsContact O-N 3.11Å; T132-K207 CarbonylContact C-O 3.19Å; T132-K207 WeakPolarHBondContact CA-O 3.47Å; C133-K207 PolarHBondContact N-O 3.42Å; K207-L209 HydrophobicContact CB-CG 4.4Å
208	V	97.1	Very high	87.7	Confident	56 Å²	56	79 Å²	79	34%	0.339	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.1	164.6	-176.3	0	0	0	0	106.9	C133 P135 P196	C133-V208 VanDerWaalsContact O-CA 3.3Å; C133-V208 WeakPolarHBondContact O-CA 3.43Å; P135-V208 HydrophobicContact CB-CG1 4.48Å; P135-V208 HydrophobicContact CG-CG1 4.39Å; P196-V208 HydrophobicContact CB-CB 4.39Å; P196-V208 HydrophobicContact CB-CG1 3.78Å; P196-V208 HydrophobicContact CB-CG2 3.66Å; P196-V208 WeakPolarHBondContact O-CG2 3.43Å
209	L	94.2	Very high	85.9	Confident	47 Å²	47	80 Å²	80	25%	0.246	39%	0.391	C	S	.	.			trans	-112.4	125.6	-176	-66.8	-175.4	0	0	0	110.8	W110 T132 C133 L134 P135 K207	W110-L209 HydrophobicContact CH2-CD1 4.04Å; W110-L209 HydrophobicContact CZ3-CD1 3.94Å; T132-L209 HydrophobicContact CG2-CB 4.01Å; T132-L209 HydrophobicContact CG2-CD1 3.79Å; T132-L209 HydrophobicContact CG2-CG 3.73Å; C133-L209 PolarHBondContact O-N 3.02Å; C133-L209 VanDerWaalsContact O-N 3.17Å; L134-L209 WeakPolarHBondContact CD2-O 3.39Å; P135-L209 VanDerWaalsContact CD-O 3.3Å; P135-L209 WeakPolarHBondContact CD-O 3.29Å; K207-L209 HydrophobicContact CB-CG 4.4Å
210	E	93.5	Very high	84.4	Confident	149 Å²	149	84.8 Å²	84.8	70%	0.696	42%	0.417	S	S	*	.	S	Bend	trans	-87.6	-33.6	173.6	-47.9	-164.8	159.5	0	0	111.9	P135	P135-E210 HydrophobicContact CG-CB 4.05Å; P135-E210 HydrophobicContact CG-CG 3.66Å
211	H	91.9	Very high	82.7	Confident	134 Å²	134	87.4 Å²	87.4	62%	0.62	43%	0.427	S	S	*	.	S	Bend	trans	-134.8	153.9	-178.5	-63.4	-58.2	0	0	0	110.5
212	P	86.6	Confident	81	Confident	104 Å²	104	88.3 Å²	88.3	68%	0.675	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-60.1	154	165.1	28.4	-34.3	0	0	0	109.9	Q214	P212-Q214 PolarHBondContact O-N 3.3Å
213	P	75.6	Confident	79.2	Confident	56 Å²	56	93.9 Å²	93.9	36%	0.364	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-50.6	132	176.3	-24.6	33.3	0	0	0	110.7	E217 E218	P213-E217 HydrophobicContact CB-CB 4.49Å; P213-E218 HydrophobicContact CB-CG 3.84Å
214	Q	75.8	Confident	77.4	Confident	126 Å²	126	96.3 Å²	96.3	59%	0.589	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-69	150.8	173.8	-64.8	-174.2	-5.3	0	0	108.8	P212 E216 E217 E218	P212-Q214 PolarHBondContact O-N 3.3Å; Q214-E216 PolarHBondContact O-N 3.34Å; Q214-E217 PolarHBondContact N-OE2 3.29Å; Q214-E217 WeakPolarHBondContact O-CA 3.47Å; Q214-E217 WeakPolarHBondContact O-CB 3.44Å; Q214-E217 PolarHBondContact O-N 3.01Å; Q214-E218 PolarHBondContact O-N 3.44Å; Q214-E218 VanDerWaalsContact O-N 3.1Å
215	R	68	Low	75.2	Confident	214 Å²	214	103 Å²	103	81%	0.808	50%	0.503	S	S	*	.	H	α-helix	trans	-50.5	-36	-176.3	-75.4	-176.9	-179.9	166.2	0.4	113.1	E218 E219	R215-E218 PolarHBondContact O-N 3.15Å; R215-E219 WeakPolarHBondContact O-CG 3.32Å; R215-E219 PolarHBondContact O-N 3.34Å
216	E	59.9	Low	73.2	Confident	148 Å²	148	107 Å²	107	69%	0.692	54%	0.537	S	S	*	.	H	α-helix	trans	-65.6	-36.9	178.1	-62.9	-179.5	-175.9	0	0	112.6	Q214 N220	Q214-E216 PolarHBondContact O-N 3.34Å; E216-N220 VanDerWaalsContact O-CG 3.31Å; E216-N220 PolarHBondContact O-N 3.13Å; E216-N220 PolarHBondContact O-ND2 3.1Å
217	E	61.8	Low	70.3	Confident	107 Å²	107	116 Å²	116	50%	0.5	58%	0.578	S	S	.	*	H	α-helix	trans	-71.7	-38	175.1	-63.5	177.7	152	0	0	111.4	P213 Q214 E219 N220 L221	P213-E217 HydrophobicContact CB-CB 4.49Å; Q214-E217 PolarHBondContact N-OE2 3.29Å; Q214-E217 WeakPolarHBondContact O-CA 3.47Å; Q214-E217 WeakPolarHBondContact O-CB 3.44Å; Q214-E217 PolarHBondContact O-N 3.01Å; E217-E219 VanDerWaalsContact C-N 3.34Å; E217-E219 PolarHBondContact O-N 3.16Å; E217-N220 PolarHBondContact O-N 3.44Å; E217-L221 WeakPolarHBondContact O-CB 3.48Å; E217-L221 WeakPolarHBondContact O-CD1 3.4Å; E217-L221 PolarHBondContact O-N 3.48Å
218	E	59.3	Low	69.1	Low	85 Å²	85	116.9 Å²	116.9	40%	0.397	59%	0.585	S	S	.	*	H	α-helix	trans	-62.6	-40.4	175	-68.3	-168.9	161.2	0	0	112.3	P213 Q214 R215 N220 L221 K222	P213-E218 HydrophobicContact CB-CG 3.84Å; Q214-E218 PolarHBondContact O-N 3.44Å; Q214-E218 VanDerWaalsContact O-N 3.1Å; R215-E218 PolarHBondContact O-N 3.15Å; E218-N220 VanDerWaalsContact C-N 3.35Å; E218-L221 PolarHBondContact O-N 3.21Å; E218-K222 WeakPolarHBondContact O-CB 3.49Å; E218-K222 WeakPolarHBondContact O-CG 3.48Å; E218-K222 PolarHBondContact O-N 3.47Å
219	E	60.6	Low	67.6	Low	117 Å²	117	120.1 Å²	120.1	55%	0.547	60%	0.598	S	S	.	*	H	α-helix	trans	-64.8	-39.8	176.1	-75.1	-176.3	-176.9	0	0	111.7	R215 E217 K222 K223	R215-E219 WeakPolarHBondContact O-CG 3.32Å; R215-E219 PolarHBondContact O-N 3.34Å; E217-E219 VanDerWaalsContact C-N 3.34Å; E217-E219 PolarHBondContact O-N 3.16Å; E219-K222 PolarHBondContact O-N 3.35Å; E219-K223 WeakPolarHBondContact O-CG 3.42Å; E219-K223 PolarHBondContact O-N 3.05Å; E219-K223 VanDerWaalsContact O-N 3.13Å
220	N	66.8	Low	66.1	Low	101 Å²	101	124.1 Å²	124.1	54%	0.54	62%	0.617	S	S	.	*	H	α-helix	trans	-69.5	-39.5	176.8	-69.8	-24.3	0	0	0	112.3	E216 E217 E218 K223 A224	E216-N220 VanDerWaalsContact O-CG 3.31Å; E216-N220 PolarHBondContact O-N 3.13Å; E216-N220 PolarHBondContact O-ND2 3.1Å; E217-N220 PolarHBondContact O-N 3.44Å; E218-N220 VanDerWaalsContact C-N 3.35Å; N220-K223 PolarHBondContact O-N 3.05Å; N220-A224 PolarHBondContact O-N 3.36Å
221	L	62	Low	64.5	Low	96 Å²	96	122.6 Å²	122.6	50%	0.503	61%	0.612	S	S	.	*	H	α-helix	trans	-62.9	-42.7	173.3	-84.5	152.8	0	0	0	111.9	E217 E218 K223 A224 H225	E217-L221 WeakPolarHBondContact O-CB 3.48Å; E217-L221 WeakPolarHBondContact O-CD1 3.4Å; E217-L221 PolarHBondContact O-N 3.48Å; E218-L221 PolarHBondContact O-N 3.21Å; L221-K223 VanDerWaalsContact C-N 3.32Å; L221-K223 PolarHBondContact O-N 3.49Å; L221-A224 PolarHBondContact O-N 2.96Å; L221-H225 PolarHBondContact O-CD2 2.86Å; L221-H225 PolarHBondContact O-N 3.29Å; L221-H225 VanDerWaalsContact O-N 3.16Å
222	K	62.9	Low	62.8	Low	145 Å²	145	121.9 Å²	121.9	63%	0.63	61%	0.612	S	S	*	*	H	α-helix	trans	-63.7	-36.7	177	-75.9	173.3	-175.3	167.4	0	112.4	E218 E219 A226	E218-K222 WeakPolarHBondContact O-CB 3.49Å; E218-K222 WeakPolarHBondContact O-CG 3.48Å; E218-K222 PolarHBondContact O-N 3.47Å; E219-K222 PolarHBondContact O-N 3.35Å; K222-A226 PolarHBondContact O-N 2.89Å
223	K	59.5	Low	61.2	Low	132 Å²	132	123.1 Å²	123.1	57%	0.574	61%	0.608	S	S	*	*	H	α-helix	trans	-66.9	-44.7	175	-73.2	173.9	-176.4	170.7	0	111.8	E219 N220 L221 H225 A226	E219-K223 WeakPolarHBondContact O-CG 3.42Å; E219-K223 PolarHBondContact O-N 3.05Å; E219-K223 VanDerWaalsContact O-N 3.13Å; N220-K223 PolarHBondContact O-N 3.05Å; L221-K223 VanDerWaalsContact C-N 3.32Å; L221-K223 PolarHBondContact O-N 3.49Å; K223-H225 VanDerWaalsContact C-N 3.3Å; K223-H225 PolarHBondContact O-N 3.2Å; K223-A226 PolarHBondContact O-N 3.23Å; K223-A226 VanDerWaalsContact O-N 3.15Å
224	A	59.3	Low	60.2	Low	65 Å²	65	127.9 Å²	127.9	54%	0.537	63%	0.625	S	S	.	*	H	α-helix	trans	-66.9	-26	-179.3	0	0	0	0	0	114.4	N220 L221	N220-A224 PolarHBondContact O-N 3.36Å; L221-A224 PolarHBondContact O-N 2.96Å
225	H	53.4	Low	59	Low	139 Å²	139	128.1 Å²	128.1	64%	0.644	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-6.3	175.5	-79.9	-105.4	0	0	0	113.8	L221 K223	L221-H225 PolarHBondContact O-CD2 2.86Å; L221-H225 PolarHBondContact O-N 3.29Å; L221-H225 VanDerWaalsContact O-N 3.16Å; K223-H225 VanDerWaalsContact C-N 3.3Å; K223-H225 PolarHBondContact O-N 3.2Å
226	A	54.5	Low	58.2	Low	88 Å²	88	120.9 Å²	120.9	73%	0.727	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-8	178	0	0	0	0	0	113.3	K222 K223	K222-A226 PolarHBondContact O-N 2.89Å; K223-A226 PolarHBondContact O-N 3.23Å; K223-A226 VanDerWaalsContact O-N 3.15Å
227	E	38.6	Very low	58.1	Low	228 Å²	228	118.5 Å²	118.5	100%	1.065	61%	0.606	S	S	*	*			trans	-97.8	0	171.5	-66.5	-179.5	172.5	0	0	110.9

Retrieved 227 of 227 residues in 350.9 ms (Link to these results)

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