A0A077ZEN2_TRITR Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A077ZEN2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	35.9	Very low	239 Å²	239	139.7 Å²	139.7	100%	1.177	66%	0.659	S	S	*	*				0	2.3	0	-144.6	172.3	-173.5	0	0	114.5
2	F	31.7	Very low	36.1	Very low	195 Å²	195	134 Å²	134	86%	0.855	64%	0.635	S	S	*	*			trans	-88.8	-15.6	-175.4	-90.4	-94.3	0	0	0	115.8
3	H	30.7	Very low	36	Very low	124 Å²	124	133.5 Å²	133.5	57%	0.574	65%	0.653	S	S	*	*	S	Bend	trans	-87.6	-9.9	-168.9	-125.2	57.3	0	0	0	115.9
4	R	32	Very low	36.4	Very low	228 Å²	228	126.9 Å²	126.9	86%	0.86	62%	0.621	S	S	*	*	H	α-helix	trans	-88.9	-20.5	-177.9	-102.8	-174.4	175.5	-154.8	-0.4	114.8
5	K	33.9	Very low	36.7	Very low	148 Å²	148	123.9 Å²	123.9	64%	0.643	63%	0.625	S	S	*	*	H	α-helix	trans	-83.4	-34.4	-171	-122.2	178.1	-179.8	-170.9	0	114.1	S8	K5-S8 WeakPolarHBondContact O-CB 3.4Å; K5-S8 PolarHBondContact O-N 2.87Å
6	V	38.1	Very low	37	Very low	89 Å²	89	124.4 Å²	124.4	54%	0.539	64%	0.637	S	S	.	*	H	α-helix	trans	-76.3	-35.7	-179.1	-177.8	0	0	0	0	112.2	S8 I9	V6-S8 PolarHBondContact O-N 3.21Å; V6-I9 PolarHBondContact O-N 3.01Å
7	L	32.8	Very low	37.5	Very low	82 Å²	82	123.2 Å²	123.2	43%	0.429	64%	0.636	S	S	.	*	H	α-helix	trans	-62.9	-29	173.4	-76.7	167.7	0	0	0	112.2	I9 R10	L7-I9 VanDerWaalsContact C-N 3.25Å; L7-I9 PolarHBondContact O-N 2.77Å; L7-R10 PolarHBondContact O-N 2.98Å
8	S	37.9	Very low	37.7	Very low	75 Å²	75	123.2 Å²	123.2	52%	0.524	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-68.3	-21.9	178.8	-165.3	0	0	0	0	113.6	K5 V6 R10 N11	K5-S8 WeakPolarHBondContact O-CB 3.4Å; K5-S8 PolarHBondContact O-N 2.87Å; V6-S8 PolarHBondContact O-N 3.21Å; S8-R10 VanDerWaalsContact C-N 3.35Å; S8-N11 PolarHBondContact O-N 2.75Å
9	I	43.3	Very low	38.2	Very low	55 Å²	55	118.9 Å²	118.9	28%	0.282	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-74.1	-29.3	178.6	-60.2	175.4	0	0	0	110.8	V6 L7 N11 L12	V6-I9 PolarHBondContact O-N 3.01Å; L7-I9 VanDerWaalsContact C-N 3.25Å; L7-I9 PolarHBondContact O-N 2.77Å; I9-N11 PolarHBondContact O-N 3.12Å; I9-L12 PolarHBondContact O-N 2.89Å
10	R	42.2	Very low	38.5	Very low	159 Å²	159	117.8 Å²	117.8	60%	0.6	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-64	-24.5	177.2	-76.5	-174.1	174	171.9	-0.3	113.5	L7 S8 K150	L7-R10 PolarHBondContact O-N 2.98Å; S8-R10 VanDerWaalsContact C-N 3.35Å; R10-K150 PolarHBondContact NH1-O 2.82Å
11	N	36.9	Very low	38.7	Very low	143 Å²	143	121.6 Å²	121.6	77%	0.765	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-114.3	19.3	-177	-71.6	-11.3	0	0	0	112.9	S8 I9 C13	S8-N11 PolarHBondContact O-N 2.75Å; I9-N11 PolarHBondContact O-N 3.12Å; N11-C13 PolarHBondContact O-N 2.92Å
12	L	38.9	Very low	39.6	Very low	71 Å²	71	112.1 Å²	112.1	37%	0.372	58%	0.584	S	S	.	*	S	Bend	trans	-68.5	87.5	171.6	-161.1	86.4	0	0	0	108.4	I9 L14 D194	I9-L12 PolarHBondContact O-N 2.89Å; L12-L14 WeakPolarHBondContact O-CG 3.36Å; L12-L14 PolarHBondContact O-N 3.07Å; L12-D194 HydrophobicContact CD2-CB 3.86Å; L12-D194 WeakPolarHBondContact CD2-OD2 3.44Å
13	C	34.9	Very low	40.7	Very low	128 Å²	128	111.6 Å²	111.6	87%	0.865	58%	0.583	S	S	*	*			trans	6.9	73.5	163.4	-138.3	0	0	0	0	115.4	N11	N11-C13 PolarHBondContact O-N 2.92Å
14	L	40.6	Very low	43.2	Very low	40 Å²	40	114.1 Å²	114.1	21%	0.209	59%	0.588	C	S	.	*			trans	-99.5	106.7	163.9	-71.1	175.1	0	0	0	105.3	L12 T16 Q180 F191	L12-L14 WeakPolarHBondContact O-CG 3.36Å; L12-L14 PolarHBondContact O-N 3.07Å; L14-T16 PolarHBondContact O-N 3.27Å; L14-Q180 HydrophobicContact CB-CG 4.45Å; L14-Q180 VanDerWaalsContact CB-NE2 3.31Å; L14-Q180 HydrophobicContact CD1-CG 3.83Å; L14-Q180 VanDerWaalsContact CD1-NE2 3.26Å; L14-F191 HydrophobicContact CD1-CD2 4.47Å; L14-F191 HydrophobicContact CD1-CE2 4.17Å
15	A	41.8	Very low	46.2	Very low	83 Å²	83	104.2 Å²	104.2	69%	0.686	55%	0.553	S	S	*	*			trans	-49.1	117.5	169.9	0	0	0	0	0	107.2	V17	A15-V17 PolarHBondContact O-N 3.5Å
16	T	41.8	Very low	49.1	Very low	132 Å²	132	100.2 Å²	100.2	81%	0.81	53%	0.534	S	S	*	.			trans	-67.1	84.2	171.3	51.4	0	0	0	0	106.6	L14 D18	L14-T16 PolarHBondContact O-N 3.27Å; T16-D18 PolarHBondContact O-N 3.37Å; T16-D18 VanDerWaalsContact O-N 3.12Å
17	V	44.2	Very low	51.8	Low	103 Å²	103	97.6 Å²	97.6	62%	0.624	52%	0.516	S	S	*	.			trans	-64.1	112	157.3	179.9	0	0	0	0	104.2	A15 S19	A15-V17 PolarHBondContact O-N 3.5Å; V17-S19 PolarHBondContact O-N 3.42Å
18	D	40.9	Very low	54.7	Low	123 Å²	123	95.6 Å²	95.6	66%	0.658	50%	0.504	S	S	*	.			trans	-55.3	101.2	179.8	-179.5	26.8	0	0	0	109.3	T16 T20	T16-D18 PolarHBondContact O-N 3.37Å; T16-D18 VanDerWaalsContact O-N 3.12Å; D18-T20 PolarHBondContact O-N 2.97Å; D18-T20 VanDerWaalsContact OD1-CG2 3.23Å; D18-T20 WeakPolarHBondContact OD1-CG2 3.48Å; D18-T20 PolarHBondContact OD2-OG1 3.16Å; D18-T20 VanDerWaalsContact OD2-OG1 3.06Å
19	S	48.9	Very low	57.2	Low	42 Å²	42	97.4 Å²	97.4	29%	0.294	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-78.6	18.1	-171.2	-140.6	0	0	0	0	112.8	V17 K21 D22	V17-S19 PolarHBondContact O-N 3.42Å; S19-K21 PolarHBondContact O-N 2.95Å; S19-D22 PolarHBondContact O-N 2.75Å; S19-D22 WeakPolarHBondContact OG-CB 3.49Å
20	T	43.5	Very low	59.3	Low	97 Å²	97	98 Å²	98	60%	0.595	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-60.6	-11.7	179	49.9	0	0	0	0	113.6	D18	D18-T20 PolarHBondContact O-N 2.97Å; D18-T20 VanDerWaalsContact OD1-CG2 3.23Å; D18-T20 WeakPolarHBondContact OD1-CG2 3.48Å; D18-T20 PolarHBondContact OD2-OG1 3.16Å; D18-T20 VanDerWaalsContact OD2-OG1 3.06Å
21	K	43.6	Very low	61	Low	198 Å²	198	95.8 Å²	95.8	86%	0.861	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-97.6	-4.5	172.8	-79.6	-174.9	175.2	178.7	0	115.6	S19 H23	S19-K21 PolarHBondContact O-N 2.95Å; K21-H23 PolarHBondContact O-N 3.04Å
22	D	52.3	Low	63.1	Low	39 Å²	39	95 Å²	95	21%	0.209	50%	0.499	C	S	.	.			trans	-94.2	59.6	-175.6	-170	10.6	0	0	0	112.3	S19 R24 V25	S19-D22 PolarHBondContact O-N 2.75Å; S19-D22 WeakPolarHBondContact OG-CB 3.49Å; D22-R24 PolarHBondContact O-N 3.35Å; D22-R24 PolarHBondContact OD1-N 3.39Å; D22-V25 WeakPolarHBondContact OD1-CG2 3.33Å; D22-V25 PolarHBondContact OD1-N 3.42Å; D22-V25 VanDerWaalsContact OD1-N 3.12Å; D22-V25 WeakPolarHBondContact OD2-CB 3.47Å; D22-V25 WeakPolarHBondContact OD2-CG2 3.32Å
23	H	56.3	Low	65.2	Low	184 Å²	184	93.3 Å²	93.3	85%	0.852	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	12.6	169.2	-76.2	-51.7	0	0	0	113.4	K21	K21-H23 PolarHBondContact O-N 3.04Å
24	R	83.2	Confident	67.7	Low	177 Å²	177	88 Å²	88	67%	0.668	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-30.2	-173.2	-64.4	-173.8	-179.6	-173.9	2	113.8	D22 Y26 E166	D22-R24 PolarHBondContact O-N 3.35Å; D22-R24 PolarHBondContact OD1-N 3.39Å; R24-Y26 PolarHBondContact O-N 2.92Å; R24-E166 IonicContact NH1-OE1 3.8Å; R24-E166 PolarHBondContact NH1-OE1 3.49Å; R24-E166 IonicContact NH1-OE2 3.81Å; R24-E166 PolarHBondContact NH1-OE2 3.08Å
25	V	93.5	Very high	70.1	Confident	20 Å²	20	86.3 Å²	86.3	12%	0.121	44%	0.443	C	S	.	.	S	Bend	trans	-79.4	113.2	178.8	176.5	0	0	0	0	110.5	D22 H27 I165 Y170 L172 A179	D22-V25 WeakPolarHBondContact OD1-CG2 3.33Å; D22-V25 PolarHBondContact OD1-N 3.42Å; D22-V25 VanDerWaalsContact OD1-N 3.12Å; D22-V25 WeakPolarHBondContact OD2-CB 3.47Å; D22-V25 WeakPolarHBondContact OD2-CG2 3.32Å; V25-H27 PolarHBondContact O-N 3.25Å; V25-I165 HydrophobicContact CB-CD1 4.24Å; V25-I165 HydrophobicContact CG1-CD1 3.64Å; V25-I165 HydrophobicContact CG2-CB 4.37Å; V25-I165 HydrophobicContact CG2-CD1 3.7Å; V25-I165 HydrophobicContact CG2-CG2 4.11Å; V25-Y170 HydrophobicContact CG2-CD1 4.5Å; V25-Y170 HydrophobicContact CG2-CD2 4.35Å; V25-Y170 HydrophobicContact CG2-CE1 4.13Å; V25-Y170 HydrophobicContact CG2-CE2 3.98Å; V25-L172 HydrophobicContact CG1-CD2 3.86Å; V25-A179 HydrophobicContact CB-CB 4.34Å; V25-A179 HydrophobicContact CG1-CB 3.51Å
26	Y	96.1	Very high	72.5	Confident	64 Å²	64	82.3 Å²	82.3	25%	0.251	41%	0.411	S	S	.	.			trans	-69.3	124.8	172.1	174.3	-84	0	0	0	109.7	R24 E28 N41 Q45 K46 A47	R24-Y26 PolarHBondContact O-N 2.92Å; Y26-E28 HydrophobicContact CE1-CG 3.69Å; Y26-E28 WeakPolarHBondContact OH-CG 3.17Å; Y26-E28 PolarHBondContact OH-OE1 3.33Å; Y26-N41 HydrophobicContact CE1-CB 3.96Å; Y26-N41 WeakPolarHBondContact CE1-O 3.33Å; Y26-Q45 WeakPolarHBondContact CB-O 3.46Å; Y26-Q45 VanDerWaalsContact CG-C 3.45Å; Y26-Q45 PolarHBondContact O-NE2 3.34Å; Y26-Q45 PolarHBondContact O-OE1 3.35Å; Y26-K46 VanDerWaalsContact CZ-C 3.45Å; Y26-A47 VanDerWaalsContact CZ-N 3.34Å; Y26-A47 WeakPolarHBondContact OH-CA 3.28Å; Y26-A47 VanDerWaalsContact OH-CB 3.24Å; Y26-A47 WeakPolarHBondContact OH-CB 3.25Å; Y26-A47 PolarHBondContact OH-N 3.39Å
27	H	94.8	Very high	75	Confident	35 Å²	35	76.5 Å²	76.5	16%	0.162	38%	0.375	C	S	.	.			trans	-143.5	117	179.3	-178.1	-96.8	0	0	0	110.7	V25 N42 D173 L176 A179	V25-H27 PolarHBondContact O-N 3.25Å; H27-N42 WeakPolarHBondContact CA-OD1 3.48Å; H27-D173 PolarHBondContact CE1-O 3.21Å; H27-D173 PolarHBondContact NE2-O 3.2Å; H27-L176 PolarHBondContact CE1-O 3.28Å; H27-A179 HydrophobicContact CB-CB 4.26Å
28	E	93.7	Very high	77.4	Confident	40 Å²	40	72 Å²	72	19%	0.187	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-88.9	136	168.1	-62.6	-167.2	150.8	0	0	110.7	Y26 L37 H38 N41 N42 S174	Y26-E28 HydrophobicContact CE1-CG 3.69Å; Y26-E28 WeakPolarHBondContact OH-CG 3.17Å; Y26-E28 PolarHBondContact OH-OE1 3.33Å; E28-L37 WeakPolarHBondContact OE2-CD2 3.45Å; E28-H38 HydrophobicContact CB-CB 4.17Å; E28-H38 WeakPolarHBondContact CB-ND1 3.36Å; E28-H38 IonicContact OE2-CE1 2.8Å; E28-H38 IonicContact OE2-CG 2.74Å; E28-H38 IonicContact OE2-ND1 3.64Å; E28-H38 PolarHBondContact OE2-ND1 2.87Å; E28-N41 HydrophobicContact CG-CB 4.36Å; E28-N41 PolarHBondContact OE1-ND2 3.23Å; E28-N41 WeakPolarHBondContact OE2-CB 3.46Å; E28-N41 PolarHBondContact OE2-ND2 2.94Å; E28-N42 PolarHBondContact N-OD1 3.17Å; E28-N42 PolarHBondContact O-ND2 3.32Å; E28-S174 WeakPolarHBondContact O-CA 3.45Å; E28-S174 WeakPolarHBondContact O-CB 3.48Å
29	K	90.2	Very high	80.1	Confident	113 Å²	113	66.1 Å²	66.1	49%	0.491	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-89.8	151.3	174.3	-57.3	-178	-163.5	-166.2	0	110.4	L31 H38 S174 S177	K29-L31 PolarHBondContact O-N 3.29Å; K29-H38 PolarHBondContact O-CE1 2.81Å; K29-H38 PolarHBondContact O-NE2 3.4Å; K29-S174 CarbonylContact C-O 3.56Å; K29-S174 VanDerWaalsContact CA-O 3.27Å; K29-S174 WeakPolarHBondContact CA-O 3.46Å; K29-S177 WeakPolarHBondContact CE-O 3.22Å; K29-S177 PolarHBondContact NZ-O 2.94Å
30	Q	86.2	Confident	82.4	Confident	68 Å²	68	64.1 Å²	64.1	32%	0.318	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-65.4	123.3	-174.1	-167.6	-174.3	-105.1	0	0	110.7	F158 S174 K175	Q30-F158 VanDerWaalsContact OE1-CE2 3.27Å; Q30-S174 PolarHBondContact N-O 3.38Å; Q30-K175 HydrophobicContact CB-CG 4.42Å
31	L	78.4	Confident	85	Confident	111 Å²	111	59.6 Å²	59.6	58%	0.581	27%	0.273	S	S	*	.			trans	-113.1	129.6	168.2	-61.3	176.3	0	0	0	109.3	K29 Q33 L34 H38	K29-L31 PolarHBondContact O-N 3.29Å; L31-Q33 PolarHBondContact O-N 3.23Å; L31-L34 VanDerWaalsContact O-CB 3.27Å; L31-L34 WeakPolarHBondContact O-CB 3.23Å; L31-L34 WeakPolarHBondContact O-CG 3.5Å; L31-L34 PolarHBondContact O-N 3.22Å; L31-H38 PolarHBondContact N-NE2 3.29Å
32	L	81.9	Confident	87.5	Confident	127 Å²	127	50.1 Å²	50.1	67%	0.665	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	-127	179.2	-55.6	173.9	0	0	0	111.7
33	Q	82.9	Confident	89.6	Confident	36 Å²	36	48.3 Å²	48.3	17%	0.168	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-106.6	27.3	176.7	-57.1	-167.9	-50.2	0	0	111.9	L31 C35 D78 F156	L31-Q33 PolarHBondContact O-N 3.23Å; Q33-C35 VanDerWaalsContact C-N 3.26Å; Q33-C35 PolarHBondContact O-N 3.37Å; Q33-D78 HydrophobicContact CB-CB 4.18Å; Q33-D78 PolarHBondContact O-N 3.34Å; Q33-F156 VanDerWaalsContact NE2-CD1 3.29Å; Q33-F156 VanDerWaalsContact NE2-CG 3.35Å
34	L	87.5	Confident	91.6	Very high	16 Å²	16	42 Å²	42	8%	0.084	19%	0.193	C	C	.	.			trans	-89.2	27.2	-172.6	-57.2	174	0	0	0	113.4	L31 A36 L37 H38 K51 Y79	L31-L34 VanDerWaalsContact O-CB 3.27Å; L31-L34 WeakPolarHBondContact O-CB 3.23Å; L31-L34 WeakPolarHBondContact O-CG 3.5Å; L31-L34 PolarHBondContact O-N 3.22Å; L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 2.9Å; L34-L37 HydrophobicContact CB-CB 4.16Å; L34-L37 WeakPolarHBondContact O-CB 3.41Å; L34-L37 PolarHBondContact O-N 3.06Å; L34-H38 PolarHBondContact O-CD2 2.89Å; L34-H38 PolarHBondContact O-N 3.49Å; L34-H38 VanDerWaalsContact O-N 3.1Å; L34-K51 HydrophobicContact CD2-CB 4.44Å; L34-K51 HydrophobicContact CD2-CD 4.14Å; L34-K51 HydrophobicContact CD2-CG 3.91Å; L34-Y79 HydrophobicContact CD2-CE2 3.72Å
35	C	89.9	Confident	92.2	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-55.5	-39.4	-175.7	64.5	0	0	0	0	113.2	Q33 L37 H38 A39 F158	Q33-C35 VanDerWaalsContact C-N 3.26Å; Q33-C35 PolarHBondContact O-N 3.37Å; C35-L37 PolarHBondContact O-N 2.9Å; C35-H38 PolarHBondContact O-N 3.29Å; C35-A39 VanDerWaalsContact O-CB 3.28Å; C35-A39 WeakPolarHBondContact O-CB 3.39Å; C35-A39 PolarHBondContact O-N 3.32Å; C35-F158 HydrophobicContact CB-CD2 3.64Å; C35-F158 HydrophobicContact CB-CE2 3.54Å
36	A	92.6	Very high	92.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-42.2	173.8	0	0	0	0	0	113.6	L34 A39 L40 Y79 I84	L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 2.9Å; A36-A39 PolarHBondContact O-N 3.06Å; A36-L40 WeakPolarHBondContact O-CG 3.21Å; A36-L40 PolarHBondContact O-N 2.68Å; A36-Y79 HydrophobicContact CB-CD2 4.01Å; A36-Y79 HydrophobicContact CB-CG 4.33Å; A36-I84 HydrophobicContact CB-CD1 3.86Å; A36-I84 HydrophobicContact CB-CG1 3.88Å
37	L	95.2	Very high	92.3	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-50.4	178	179.4	153.6	0	0	0	110.1	E28 L34 C35 A39 L40 N41 K51 L54	E28-L37 WeakPolarHBondContact OE2-CD2 3.45Å; L34-L37 HydrophobicContact CB-CB 4.16Å; L34-L37 WeakPolarHBondContact O-CB 3.41Å; L34-L37 PolarHBondContact O-N 3.06Å; C35-L37 PolarHBondContact O-N 2.9Å; L37-A39 VanDerWaalsContact C-N 3.32Å; L37-A39 PolarHBondContact O-N 3.23Å; L37-L40 PolarHBondContact O-N 3.13Å; L37-N41 VanDerWaalsContact CD2-ND2 3.35Å; L37-N41 WeakPolarHBondContact CD2-ND2 3.29Å; L37-N41 PolarHBondContact O-N 3.29Å; L37-K51 HydrophobicContact CD1-CB 4.26Å; L37-L54 HydrophobicContact CB-CD1 3.66Å; L37-L54 HydrophobicContact CD1-CD1 4.41Å; L37-L54 HydrophobicContact CG-CD1 4.28Å
38	H	94.9	Very high	92.4	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-66.7	-36.6	-179.8	-58.9	-50.8	0	0	0	111.2	E28 K29 L31 L34 C35 L40 N41 N42	E28-H38 HydrophobicContact CB-CB 4.17Å; E28-H38 WeakPolarHBondContact CB-ND1 3.36Å; E28-H38 IonicContact OE2-CE1 2.8Å; E28-H38 IonicContact OE2-CG 2.74Å; E28-H38 IonicContact OE2-ND1 3.64Å; E28-H38 PolarHBondContact OE2-ND1 2.87Å; K29-H38 PolarHBondContact O-CE1 2.81Å; K29-H38 PolarHBondContact O-NE2 3.4Å; L31-H38 PolarHBondContact N-NE2 3.29Å; L34-H38 PolarHBondContact O-CD2 2.89Å; L34-H38 PolarHBondContact O-N 3.49Å; L34-H38 VanDerWaalsContact O-N 3.1Å; C35-H38 PolarHBondContact O-N 3.29Å; H38-L40 VanDerWaalsContact C-N 3.35Å; H38-L40 PolarHBondContact O-N 3.25Å; H38-N41 PolarHBondContact O-N 3.47Å; H38-N42 WeakPolarHBondContact O-CB 3.47Å; H38-N42 PolarHBondContact O-N 3.04Å; H38-N42 PolarHBondContact O-ND2 3.3Å; H38-N42 PolarHBondContact O-OD1 3.26Å
39	A	96.6	Very high	92.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-44.8	173.7	0	0	0	0	0	111.4	C35 A36 L37 L43 Q159 A161	C35-A39 VanDerWaalsContact O-CB 3.28Å; C35-A39 WeakPolarHBondContact O-CB 3.39Å; C35-A39 PolarHBondContact O-N 3.32Å; A36-A39 PolarHBondContact O-N 3.06Å; L37-A39 VanDerWaalsContact C-N 3.32Å; L37-A39 PolarHBondContact O-N 3.23Å; A39-L43 VanDerWaalsContact O-CB 3.22Å; A39-L43 WeakPolarHBondContact O-CB 3.34Å; A39-L43 PolarHBondContact O-N 3.44Å; A39-Q159 HydrophobicContact CB-CB 4.43Å; A39-A161 WeakPolarHBondContact O-CB 3.28Å
40	L	97.2	Very high	92.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-51.4	175.9	-72.4	164.7	0	0	0	111.6	A36 L37 H38 N42 L43 F44 Y49 L54 I84 A87 L88 I116	A36-L40 WeakPolarHBondContact O-CG 3.21Å; A36-L40 PolarHBondContact O-N 2.68Å; L37-L40 PolarHBondContact O-N 3.13Å; H38-L40 VanDerWaalsContact C-N 3.35Å; H38-L40 PolarHBondContact O-N 3.25Å; L40-N42 VanDerWaalsContact C-N 3.3Å; L40-N42 PolarHBondContact O-N 2.87Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 2.94Å; L40-L43 VanDerWaalsContact O-N 3.16Å; L40-F44 HydrophobicContact CD2-CE2 4.35Å; L40-F44 WeakPolarHBondContact O-CD2 3.09Å; L40-F44 PolarHBondContact O-N 3.39Å; L40-Y49 HydrophobicContact CB-CD2 3.85Å; L40-Y49 HydrophobicContact CB-CE2 4.42Å; L40-Y49 HydrophobicContact CD1-CD2 3.84Å; L40-Y49 HydrophobicContact CD1-CE2 4.17Å; L40-Y49 HydrophobicContact CD1-CG 4.47Å; L40-Y49 HydrophobicContact CD2-CE2 4.49Å; L40-Y49 HydrophobicContact CG-CD2 4.34Å; L40-L54 HydrophobicContact CD1-CD1 4.37Å; L40-L54 HydrophobicContact CD1-CD2 4Å; L40-I84 HydrophobicContact CD2-CG2 4.15Å; L40-A87 HydrophobicContact CD1-CB 3.64Å; L40-A87 HydrophobicContact CD2-CB 4.25Å; L40-L88 HydrophobicContact CD2-CD2 3.98Å; L40-L88 HydrophobicContact CD2-CG 4.09Å; L40-I116 HydrophobicContact CD2-CD1 4.45Å
41	N	97.1	Very high	93.2	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-40.3	-178.8	-71.9	-13.2	0	0	0	111.9	Y26 E28 L37 H38 F44 Q45 K46 I48 Y49	Y26-N41 HydrophobicContact CE1-CB 3.96Å; Y26-N41 WeakPolarHBondContact CE1-O 3.33Å; E28-N41 HydrophobicContact CG-CB 4.36Å; E28-N41 PolarHBondContact OE1-ND2 3.23Å; E28-N41 WeakPolarHBondContact OE2-CB 3.46Å; E28-N41 PolarHBondContact OE2-ND2 2.94Å; L37-N41 VanDerWaalsContact CD2-ND2 3.35Å; L37-N41 WeakPolarHBondContact CD2-ND2 3.29Å; L37-N41 PolarHBondContact O-N 3.29Å; H38-N41 PolarHBondContact O-N 3.47Å; N41-F44 CarbonylContact O-C 3.48Å; N41-F44 PolarHBondContact O-N 3.21Å; N41-Q45 WeakPolarHBondContact O-CA 3.43Å; N41-Q45 PolarHBondContact O-N 2.66Å; N41-K46 CarbonylContact C-O 3.54Å; N41-K46 VanDerWaalsContact CA-O 3.24Å; N41-K46 WeakPolarHBondContact CA-O 3.35Å; N41-K46 WeakPolarHBondContact CB-O 3.37Å; N41-K46 PolarHBondContact O-N 3.25Å; N41-K46 VanDerWaalsContact O-O 3.14Å; N41-K46 PolarHBondContact OD1-O 2.83Å; N41-I48 WeakPolarHBondContact OD1-CG1 3.23Å; N41-I48 PolarHBondContact OD1-N 3.45Å; N41-Y49 PolarHBondContact ND2-O 2.78Å; N41-Y49 PolarHBondContact OD1-N 3.17Å; N41-Y49 PolarHBondContact OD1-O 3.33Å
42	N	97	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-44	174.1	-71.5	-6.6	0	0	0	111.5	H27 E28 H38 L40 F44 Q45 L172	H27-N42 WeakPolarHBondContact CA-OD1 3.48Å; E28-N42 PolarHBondContact N-OD1 3.17Å; E28-N42 PolarHBondContact O-ND2 3.32Å; H38-N42 WeakPolarHBondContact O-CB 3.47Å; H38-N42 PolarHBondContact O-N 3.04Å; H38-N42 PolarHBondContact O-ND2 3.3Å; H38-N42 PolarHBondContact O-OD1 3.26Å; L40-N42 VanDerWaalsContact C-N 3.3Å; L40-N42 PolarHBondContact O-N 2.87Å; N42-F44 VanDerWaalsContact C-N 3.28Å; N42-F44 PolarHBondContact O-N 2.66Å; N42-Q45 PolarHBondContact O-N 2.85Å; N42-Q45 VanDerWaalsContact O-N 3.14Å; N42-Q45 PolarHBondContact O-NE2 2.96Å; N42-L172 HydrophobicContact CB-CB 3.78Å; N42-L172 HydrophobicContact CB-CD1 4.03Å; N42-L172 PolarHBondContact ND2-O 3.42Å; N42-L172 WeakPolarHBondContact O-CD1 3.38Å
43	L	97.3	Very high	94.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-43.9	176.5	179.5	68.9	0	0	0	111.7	A39 L40 Q45 L88 I113 I116 A161 I206	A39-L43 VanDerWaalsContact O-CB 3.22Å; A39-L43 WeakPolarHBondContact O-CB 3.34Å; A39-L43 PolarHBondContact O-N 3.44Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 2.94Å; L40-L43 VanDerWaalsContact O-N 3.16Å; L43-Q45 VanDerWaalsContact C-N 3.33Å; L43-L88 HydrophobicContact CD2-CD2 3.99Å; L43-I113 HydrophobicContact CD1-CG2 4.21Å; L43-I113 HydrophobicContact CG-CG2 4.21Å; L43-I116 HydrophobicContact CD2-CD1 4.13Å; L43-I116 HydrophobicContact CD2-CG1 4.25Å; L43-A161 HydrophobicContact CB-CB 3.79Å; L43-A161 HydrophobicContact CD1-CB 4.24Å; L43-I206 HydrophobicContact CD2-CB 4.21Å; L43-I206 HydrophobicContact CD2-CG1 3.84Å; L43-I206 HydrophobicContact CD2-CG2 4.07Å
44	F	96.6	Very high	95.2	Very high	50 Å²	50	32.8 Å²	32.8	22%	0.219	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1.4	-179.5	-69.2	-72.6	0	0	0	114.2	L40 N41 N42 K46 I48 L88 T91 C93 I113	L40-F44 HydrophobicContact CD2-CE2 4.35Å; L40-F44 WeakPolarHBondContact O-CD2 3.09Å; L40-F44 PolarHBondContact O-N 3.39Å; N41-F44 CarbonylContact O-C 3.48Å; N41-F44 PolarHBondContact O-N 3.21Å; N42-F44 VanDerWaalsContact C-N 3.28Å; N42-F44 PolarHBondContact O-N 2.66Å; F44-K46 PolarHBondContact O-N 2.86Å; F44-I48 HydrophobicContact CB-CD1 3.85Å; F44-I48 HydrophobicContact CB-CG1 4.14Å; F44-I48 HydrophobicContact CB-CG2 4.28Å; F44-I48 HydrophobicContact CD1-CD1 4.43Å; F44-I48 HydrophobicContact CD2-CD1 3.12Å; F44-I48 HydrophobicContact CD2-CG1 4.07Å; F44-I48 HydrophobicContact CE2-CD1 3.71Å; F44-I48 HydrophobicContact CG-CD1 3.55Å; F44-I48 HydrophobicContact CG-CG1 4.36Å; F44-L88 HydrophobicContact CE2-CD2 3.73Å; F44-L88 HydrophobicContact CZ-CD2 3.68Å; F44-T91 HydrophobicContact CE2-CG2 4.33Å; F44-T91 HydrophobicContact CZ-CG2 4.16Å; F44-T91 WeakPolarHBondContact CZ-OG1 3.34Å; F44-C93 HydrophobicContact CZ-CB 4.42Å; F44-I113 HydrophobicContact CE1-CG2 4.43Å
45	Q	96.2	Very high	95.4	Very high	43 Å²	43	33.2 Å²	33.2	20%	0.201	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	32.5	179.2	-67.1	-69	-66.6	0	0	113.6	Y26 N41 N42 L43 I165	Y26-Q45 WeakPolarHBondContact CB-O 3.46Å; Y26-Q45 VanDerWaalsContact CG-C 3.45Å; Y26-Q45 PolarHBondContact O-NE2 3.34Å; Y26-Q45 PolarHBondContact O-OE1 3.35Å; N41-Q45 WeakPolarHBondContact O-CA 3.43Å; N41-Q45 PolarHBondContact O-N 2.66Å; N42-Q45 PolarHBondContact O-N 2.85Å; N42-Q45 VanDerWaalsContact O-N 3.14Å; N42-Q45 PolarHBondContact O-NE2 2.96Å; L43-Q45 VanDerWaalsContact C-N 3.33Å; Q45-I165 HydrophobicContact CG-CD1 3.9Å; Q45-I165 HydrophobicContact CG-CG1 4.33Å; Q45-I165 VanDerWaalsContact OE1-CD1 3.29Å
46	K	95.5	Very high	95.6	Very high	139 Å²	139	38.3 Å²	38.3	60%	0.604	20%	0.204	S	C	*	.	S	Bend	trans	-165.4	152.8	-179.5	-177.8	173.1	-179.6	178.9	0	110.8	Y26 N41 F44 I48	Y26-K46 VanDerWaalsContact CZ-C 3.45Å; N41-K46 CarbonylContact C-O 3.54Å; N41-K46 VanDerWaalsContact CA-O 3.24Å; N41-K46 WeakPolarHBondContact CA-O 3.35Å; N41-K46 WeakPolarHBondContact CB-O 3.37Å; N41-K46 PolarHBondContact O-N 3.25Å; N41-K46 VanDerWaalsContact O-O 3.14Å; N41-K46 PolarHBondContact OD1-O 2.83Å; F44-K46 PolarHBondContact O-N 2.86Å; K46-I48 HydrophobicContact CB-CG2 3.97Å; K46-I48 HydrophobicContact CD-CG2 4.33Å; K46-I48 HydrophobicContact CG-CG2 4.09Å; K46-I48 PolarHBondContact O-N 3.03Å
47	A	96.1	Very high	95.7	Very high	63 Å²	63	38.3 Å²	38.3	52%	0.521	20%	0.204	S	C	.	.			trans	-70.7	73.3	172.2	0	0	0	0	0	111	Y26	Y26-A47 VanDerWaalsContact CZ-N 3.34Å; Y26-A47 WeakPolarHBondContact OH-CA 3.28Å; Y26-A47 VanDerWaalsContact OH-CB 3.24Å; Y26-A47 WeakPolarHBondContact OH-CB 3.25Å; Y26-A47 PolarHBondContact OH-N 3.39Å
48	I	96.5	Very high	95.5	Very high	49 Å²	49	37.8 Å²	37.8	25%	0.251	20%	0.202	S	C	.	.			trans	-87.3	-22.5	-178.6	62.7	152.2	0	0	0	112.6	N41 F44 K46 T91	N41-I48 WeakPolarHBondContact OD1-CG1 3.23Å; N41-I48 PolarHBondContact OD1-N 3.45Å; F44-I48 HydrophobicContact CB-CD1 3.85Å; F44-I48 HydrophobicContact CB-CG1 4.14Å; F44-I48 HydrophobicContact CB-CG2 4.28Å; F44-I48 HydrophobicContact CD1-CD1 4.43Å; F44-I48 HydrophobicContact CD2-CD1 3.12Å; F44-I48 HydrophobicContact CD2-CG1 4.07Å; F44-I48 HydrophobicContact CE2-CD1 3.71Å; F44-I48 HydrophobicContact CG-CD1 3.55Å; F44-I48 HydrophobicContact CG-CG1 4.36Å; K46-I48 HydrophobicContact CB-CG2 3.97Å; K46-I48 HydrophobicContact CD-CG2 4.33Å; K46-I48 HydrophobicContact CG-CG2 4.09Å; K46-I48 PolarHBondContact O-N 3.03Å; I48-T91 HydrophobicContact CD1-CG2 3.89Å
49	Y	97	Very high	95.3	Very high	16 Å²	16	40 Å²	40	6%	0.063	21%	0.213	C	C	.	.			trans	-122.7	139.5	178	-71.9	-66.9	0	0	0	112.3	L40 N41 Q53 L54 A87 T91	L40-Y49 HydrophobicContact CB-CD2 3.85Å; L40-Y49 HydrophobicContact CB-CE2 4.42Å; L40-Y49 HydrophobicContact CD1-CD2 3.84Å; L40-Y49 HydrophobicContact CD1-CE2 4.17Å; L40-Y49 HydrophobicContact CD1-CG 4.47Å; L40-Y49 HydrophobicContact CD2-CE2 4.49Å; L40-Y49 HydrophobicContact CG-CD2 4.34Å; N41-Y49 PolarHBondContact ND2-O 2.78Å; N41-Y49 PolarHBondContact OD1-N 3.17Å; N41-Y49 PolarHBondContact OD1-O 3.33Å; Y49-Q53 HydrophobicContact CD1-CB 4.14Å; Y49-L54 HydrophobicContact CD1-CD2 3.94Å; Y49-L54 HydrophobicContact CG-CD2 4.02Å; Y49-A87 HydrophobicContact CD2-CB 4.49Å; Y49-A87 HydrophobicContact CE1-CB 4.16Å; Y49-A87 HydrophobicContact CE2-CB 3.81Å; Y49-A87 VanDerWaalsContact OH-C 3.31Å; Y49-A87 PolarHBondContact OH-O 3.34Å; Y49-T91 HydrophobicContact CE2-CG2 4.36Å; Y49-T91 WeakPolarHBondContact OH-CG2 3.42Å
50	T	95.9	Very high	95	Very high	75 Å²	75	45.7 Å²	45.7	46%	0.46	24%	0.235	S	C	.	.			trans	-107.9	163.8	168.7	63.2	0	0	0	0	109.9	A52 Q53 L54	T50-A52 VanDerWaalsContact C-N 3.26Å; T50-A52 PolarHBondContact O-N 3.48Å; T50-Q53 PolarHBondContact O-N 3.12Å; T50-Q53 WeakPolarHBondContact OG1-CG 3.42Å; T50-Q53 PolarHBondContact OG1-N 3.29Å; T50-Q53 PolarHBondContact OG1-OE1 2.81Å; T50-L54 PolarHBondContact O-N 2.96Å
51	K	94.3	Very high	94.7	Very high	70 Å²	70	48.5 Å²	48.5	30%	0.304	25%	0.25	S	C	.	.	H	α-helix	trans	-55.6	-44	175.4	-175.3	-173.2	179.2	-67.7	0	111.4	L34 L37 Q53 L54 D55 G75 Y79	L34-K51 HydrophobicContact CD2-CB 4.44Å; L34-K51 HydrophobicContact CD2-CD 4.14Å; L34-K51 HydrophobicContact CD2-CG 3.91Å; L37-K51 HydrophobicContact CD1-CB 4.26Å; K51-Q53 VanDerWaalsContact C-N 3.3Å; K51-Q53 PolarHBondContact O-N 3.32Å; K51-L54 PolarHBondContact O-N 3.01Å; K51-D55 IonicContact NZ-OD1 3.87Å; K51-D55 IonicContact NZ-OD2 2.67Å; K51-D55 PolarHBondContact NZ-OD2 2.97Å; K51-D55 WeakPolarHBondContact O-CB 2.97Å; K51-D55 PolarHBondContact O-N 2.74Å; K51-G75 WeakPolarHBondContact CE-O 3.25Å; K51-G75 PolarHBondContact NZ-O 3.45Å; K51-Y79 VanDerWaalsContact CG-OH 3.27Å; K51-Y79 WeakPolarHBondContact CG-OH 3.31Å; K51-Y79 PolarHBondContact O-OH 3.31Å
52	A	94.1	Very high	94.2	Very high	68 Å²	68	50.4 Å²	50.4	56%	0.562	26%	0.261	S	S	*	.	H	α-helix	trans	-59.6	-39.9	-179.6	0	0	0	0	0	112.4	T50 D55 E56	T50-A52 VanDerWaalsContact C-N 3.26Å; T50-A52 PolarHBondContact O-N 3.48Å; A52-D55 WeakPolarHBondContact O-CB 3.34Å; A52-D55 PolarHBondContact O-N 3.22Å; A52-E56 PolarHBondContact O-N 3.02Å
53	Q	96.1	Very high	93.5	Very high	76 Å²	76	56.3 Å²	56.3	36%	0.355	30%	0.299	S	S	.	.	H	α-helix	trans	-67.4	-40.6	177.5	-71.7	165.8	-61	0	0	112.1	Y49 T50 K51 E56 I57	Y49-Q53 HydrophobicContact CD1-CB 4.14Å; T50-Q53 PolarHBondContact O-N 3.12Å; T50-Q53 WeakPolarHBondContact OG1-CG 3.42Å; T50-Q53 PolarHBondContact OG1-N 3.29Å; T50-Q53 PolarHBondContact OG1-OE1 2.81Å; K51-Q53 VanDerWaalsContact C-N 3.3Å; K51-Q53 PolarHBondContact O-N 3.32Å; Q53-E56 WeakPolarHBondContact O-CB 3.31Å; Q53-E56 PolarHBondContact O-N 2.78Å; Q53-I57 WeakPolarHBondContact O-CG1 3.4Å; Q53-I57 PolarHBondContact O-N 3.22Å; Q53-I57 VanDerWaalsContact O-N 3.13Å
54	L	95.1	Very high	92.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70.1	-34.9	175.7	-62.3	-166.3	0	0	0	112	L37 L40 Y49 T50 K51 E56 I57 C58 Y79 V83 A87	L37-L54 HydrophobicContact CB-CD1 3.66Å; L37-L54 HydrophobicContact CD1-CD1 4.41Å; L37-L54 HydrophobicContact CG-CD1 4.28Å; L40-L54 HydrophobicContact CD1-CD1 4.37Å; L40-L54 HydrophobicContact CD1-CD2 4Å; Y49-L54 HydrophobicContact CD1-CD2 3.94Å; Y49-L54 HydrophobicContact CG-CD2 4.02Å; T50-L54 PolarHBondContact O-N 2.96Å; K51-L54 PolarHBondContact O-N 3.01Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 2.99Å; L54-I57 HydrophobicContact CD2-CD1 3.91Å; L54-I57 WeakPolarHBondContact O-CB 3.46Å; L54-I57 PolarHBondContact O-N 3.21Å; L54-C58 PolarHBondContact O-N 2.94Å; L54-C58 PolarHBondContact O-SG 2.79Å; L54-Y79 HydrophobicContact CB-CD1 4.13Å; L54-Y79 HydrophobicContact CB-CD2 4.27Å; L54-Y79 HydrophobicContact CB-CE1 3.68Å; L54-Y79 HydrophobicContact CB-CE2 3.83Å; L54-Y79 HydrophobicContact CB-CG 4.39Å; L54-Y79 HydrophobicContact CD1-CD2 3.64Å; L54-Y79 HydrophobicContact CD1-CE2 3.62Å; L54-Y79 HydrophobicContact CD1-CG 4.21Å; L54-Y79 HydrophobicContact CG-CE2 4.36Å; L54-V83 HydrophobicContact CB-CG1 4.21Å; L54-V83 HydrophobicContact CD2-CG1 4.2Å; L54-A87 HydrophobicContact CD2-CB 4.24Å
55	D	92.6	Very high	91.6	Very high	24 Å²	24	65 Å²	65	13%	0.128	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-38.2	171.7	-81.2	-35.3	0	0	0	112.3	K51 A52 C58 L59 R71 Y79	K51-D55 IonicContact NZ-OD1 3.87Å; K51-D55 IonicContact NZ-OD2 2.67Å; K51-D55 PolarHBondContact NZ-OD2 2.97Å; K51-D55 WeakPolarHBondContact O-CB 2.97Å; K51-D55 PolarHBondContact O-N 2.74Å; A52-D55 WeakPolarHBondContact O-CB 3.34Å; A52-D55 PolarHBondContact O-N 3.22Å; D55-C58 WeakPolarHBondContact O-CB 3.27Å; D55-C58 PolarHBondContact O-N 3.26Å; D55-L59 WeakPolarHBondContact O-CG 3.29Å; D55-L59 PolarHBondContact O-N 3.41Å; D55-R71 VanDerWaalsContact CB-NH1 3.3Å; D55-R71 WeakPolarHBondContact OD1-CD 3.29Å; D55-R71 IonicContact OD1-CZ 3.63Å; D55-R71 IonicContact OD1-NE 3.74Å; D55-R71 IonicContact OD1-NH1 2.75Å; D55-R71 PolarHBondContact OD1-NH1 2.93Å; D55-Y79 PolarHBondContact OD1-OH 2.87Å
56	E	93.9	Very high	90.5	Very high	111 Å²	111	69.3 Å²	69.3	52%	0.519	36%	0.361	S	S	.	.	H	α-helix	trans	-65.2	-39.6	174.2	-168	-166.7	165.2	0	0	111.6	A52 Q53 L54 C58 L59 R60	A52-E56 PolarHBondContact O-N 3.02Å; Q53-E56 WeakPolarHBondContact O-CB 3.31Å; Q53-E56 PolarHBondContact O-N 2.78Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 2.99Å; E56-C58 VanDerWaalsContact C-N 3.33Å; E56-C58 PolarHBondContact O-N 3.08Å; E56-L59 PolarHBondContact O-N 2.89Å; E56-R60 WeakPolarHBondContact O-CB 3.41Å; E56-R60 PolarHBondContact O-N 2.89Å
57	I	94.3	Very high	89.6	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-45.8	172.4	-63.3	175.7	0	0	0	110.3	Q53 L54 L59 R60 L61 V83 E86 A87	Q53-I57 WeakPolarHBondContact O-CG1 3.4Å; Q53-I57 PolarHBondContact O-N 3.22Å; Q53-I57 VanDerWaalsContact O-N 3.13Å; L54-I57 HydrophobicContact CD2-CD1 3.91Å; L54-I57 WeakPolarHBondContact O-CB 3.46Å; L54-I57 PolarHBondContact O-N 3.21Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 3.2Å; I57-R60 PolarHBondContact O-N 3.31Å; I57-L61 HydrophobicContact CG2-CD1 4.05Å; I57-L61 HydrophobicContact CG2-CG 4.4Å; I57-L61 WeakPolarHBondContact O-CG 3.18Å; I57-L61 PolarHBondContact O-N 2.88Å; I57-V83 HydrophobicContact CB-CG1 4.17Å; I57-V83 HydrophobicContact CG2-CB 4.29Å; I57-V83 HydrophobicContact CG2-CG1 3.9Å; I57-V83 HydrophobicContact CG2-CG2 4.37Å; I57-E86 HydrophobicContact CG2-CB 3.54Å; I57-E86 HydrophobicContact CG2-CG 4.17Å; I57-A87 HydrophobicContact CD1-CB 3.77Å
58	C	90.8	Very high	88.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-58.8	-42.5	177.8	-62.1	0	0	0	0	112.2	L54 D55 E56 L61 T62 N68 H70 R71 Y79 V83	L54-C58 PolarHBondContact O-N 2.94Å; L54-C58 PolarHBondContact O-SG 2.79Å; D55-C58 WeakPolarHBondContact O-CB 3.27Å; D55-C58 PolarHBondContact O-N 3.26Å; E56-C58 VanDerWaalsContact C-N 3.33Å; E56-C58 PolarHBondContact O-N 3.08Å; C58-L61 PolarHBondContact O-N 3.22Å; C58-T62 PolarHBondContact O-N 2.84Å; C58-N68 PolarHBondContact O-ND2 3.36Å; C58-H70 HydrophobicContact CB-CB 4.23Å; C58-R71 HydrophobicContact CB-CG 4.35Å; C58-Y79 WeakPolarHBondContact SG-CD1 3.41Å; C58-V83 VanDerWaalsContact SG-CG2 3.58Å
59	L	90.5	Very high	87.9	Confident	54 Å²	54	67.3 Å²	67.3	28%	0.283	35%	0.353	S	S	.	.	H	α-helix	trans	-70.1	-32.6	179.8	-70.1	173.1	0	0	0	112.7	D55 E56 I57 T62 P63 R65	D55-L59 WeakPolarHBondContact O-CG 3.29Å; D55-L59 PolarHBondContact O-N 3.41Å; E56-L59 PolarHBondContact O-N 2.89Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 3.2Å; L59-T62 WeakPolarHBondContact CA-O 3.07Å; L59-T62 CarbonylContact O-C 3.17Å; L59-P63 WeakPolarHBondContact O-CA 3.28Å; L59-R65 HydrophobicContact CD2-CG 3.73Å
60	R	91.2	Very high	87.2	Confident	120 Å²	120	67.6 Å²	67.6	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-72.4	-38.5	175.3	-179.8	170.2	48.1	88.4	9.2	112.2	E56 I57 E86	E56-R60 WeakPolarHBondContact O-CB 3.41Å; E56-R60 PolarHBondContact O-N 2.89Å; I57-R60 PolarHBondContact O-N 3.31Å; R60-E86 IonicContact CZ-OE2 3.31Å; R60-E86 IonicContact NH1-OE2 3.48Å; R60-E86 PolarHBondContact NH1-OE2 2.86Å; R60-E86 IonicContact NH2-OE2 3.81Å; R60-E86 PolarHBondContact NH2-OE2 3.16Å
61	L	90.2	Very high	86.3	Confident	59 Å²	59	65.5 Å²	65.5	31%	0.309	34%	0.338	S	S	.	.	H	α-helix	trans	-68.3	-44.4	174.5	-74.4	174.7	0	0	0	111.6	I57 C58 H70 N82 V83 E86	I57-L61 HydrophobicContact CG2-CD1 4.05Å; I57-L61 HydrophobicContact CG2-CG 4.4Å; I57-L61 WeakPolarHBondContact O-CG 3.18Å; I57-L61 PolarHBondContact O-N 2.88Å; C58-L61 PolarHBondContact O-N 3.22Å; L61-H70 WeakPolarHBondContact CB-NE2 3.49Å; L61-N82 HydrophobicContact CD1-CB 4.23Å; L61-V83 HydrophobicContact CD1-CG2 4.2Å; L61-E86 HydrophobicContact CD1-CG 4.06Å; L61-E86 HydrophobicContact CD2-CG 3.82Å; L61-E86 HydrophobicContact CG-CG 4.16Å
62	T	86	Confident	85.4	Confident	41 Å²	41	63.2 Å²	63.2	25%	0.252	33%	0.331	S	S	.	.			trans	-141	115.6	174.2	-63.8	0	0	0	0	109.7	C58 L59 S64 N68 P69 H70	C58-T62 PolarHBondContact O-N 2.84Å; L59-T62 WeakPolarHBondContact CA-O 3.07Å; L59-T62 CarbonylContact O-C 3.17Å; T62-S64 PolarHBondContact O-N 2.97Å; T62-N68 PolarHBondContact O-ND2 3.09Å; T62-P69 HydrophobicContact CG2-CG 4.45Å; T62-H70 PolarHBondContact OG1-CD2 3.48Å; T62-H70 PolarHBondContact OG1-NE2 3.25Å
63	P	82.7	Confident	84	Confident	123 Å²	123	62.8 Å²	62.8	80%	0.799	32%	0.318	S	S	*	.			trans	-76	33.4	-174.9	31.6	-36.4	0	0	0	114.3	L59	L59-P63 WeakPolarHBondContact O-CA 3.28Å
64	S	80.2	Confident	82.8	Confident	41 Å²	41	65.2 Å²	65.2	29%	0.287	33%	0.328	S	S	.	.			trans	-103.7	132.4	173.1	177.8	0	0	0	0	109.7	T62 L67 N68	T62-S64 PolarHBondContact O-N 2.97Å; S64-L67 PolarHBondContact OG-N 3.12Å; S64-L67 PolarHBondContact OG-O 2.86Å; S64-L67 VanDerWaalsContact OG-O 3.09Å; S64-N68 WeakPolarHBondContact O-CB 2.93Å; S64-N68 PolarHBondContact O-ND2 2.91Å
65	R	74.1	Confident	81.6	Confident	192 Å²	192	65.8 Å²	65.8	73%	0.725	33%	0.334	S	S	*	.	S	Bend	trans	-86.9	-45	178.7	-75.4	-177.6	-179.2	130.3	1.2	113.4	L59 R71	L59-R65 HydrophobicContact CD2-CG 3.73Å; R65-R71 PolarHBondContact O-NH2 3.04Å
66	L	72.9	Confident	80.9	Confident	134 Å²	134	68.6 Å²	68.6	70%	0.702	35%	0.349	S	S	*	.	S	Bend	trans	-87.3	-40.5	-171.7	-66.3	175.1	0	0	0	112.4	M73	L66-M73 VanDerWaalsContact O-CG 3.23Å; L66-M73 WeakPolarHBondContact O-CG 3.24Å
67	L	76.3	Confident	80.2	Confident	111 Å²	111	63.3 Å²	63.3	58%	0.581	32%	0.324	S	S	*	.	S	Bend	trans	-116.4	64.6	178.4	-62.3	176.6	0	0	0	108.7	S64 M73	S64-L67 PolarHBondContact OG-N 3.12Å; S64-L67 PolarHBondContact OG-O 2.86Å; S64-L67 VanDerWaalsContact OG-O 3.09Å; L67-M73 HydrophobicContact CD2-CG 4.34Å; L67-M73 HydrophobicContact CD2-SD 4.14Å
68	N	77.1	Confident	79.5	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.043	34%	0.335	C	S	.	.			trans	-89.8	122.6	175.1	-164.3	-61.4	0	0	0	108.8	C58 T62 S64 H70 R71	C58-N68 PolarHBondContact O-ND2 3.36Å; T62-N68 PolarHBondContact O-ND2 3.09Å; S64-N68 WeakPolarHBondContact O-CB 2.93Å; S64-N68 PolarHBondContact O-ND2 2.91Å; N68-H70 PolarHBondContact O-N 2.74Å; N68-H70 VanDerWaalsContact OD1-CB 3.25Å; N68-H70 WeakPolarHBondContact OD1-CB 3.15Å; N68-H70 PolarHBondContact OD1-CD2 3.04Å; N68-H70 PolarHBondContact OD1-N 2.92Å; N68-R71 HydrophobicContact CB-CG 3.96Å
69	P	80.3	Confident	79.3	Confident	91 Å²	91	65.3 Å²	65.3	59%	0.591	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.3	-179.4	29.2	-34.3	0	0	0	113.4	T62	T62-P69 HydrophobicContact CG2-CG 4.45Å
70	H	81.6	Confident	79.1	Confident	22 Å²	22	64.4 Å²	64.4	10%	0.102	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0	-174	-53.8	-66.6	0	0	0	113.9	C58 L61 T62 N68 Y79 D80 V83	C58-H70 HydrophobicContact CB-CB 4.23Å; L61-H70 WeakPolarHBondContact CB-NE2 3.49Å; T62-H70 PolarHBondContact OG1-CD2 3.48Å; T62-H70 PolarHBondContact OG1-NE2 3.25Å; N68-H70 PolarHBondContact O-N 2.74Å; N68-H70 VanDerWaalsContact OD1-CB 3.25Å; N68-H70 WeakPolarHBondContact OD1-CB 3.15Å; N68-H70 PolarHBondContact OD1-CD2 3.04Å; N68-H70 PolarHBondContact OD1-N 2.92Å; H70-Y79 VanDerWaalsContact O-CA 3.31Å; H70-Y79 WeakPolarHBondContact O-CA 3.4Å; H70-D80 IonicContact CE1-OD2 2.67Å; H70-D80 IonicContact CG-OD2 3.71Å; H70-D80 IonicContact ND1-OD1 2.7Å; H70-D80 IonicContact ND1-OD2 3.58Å; H70-D80 PolarHBondContact ND1-OD2 2.84Å; H70-D80 PolarHBondContact O-N 2.81Å; H70-D80 VanDerWaalsContact O-N 3.11Å; H70-V83 HydrophobicContact CB-CG2 3.7Å
71	R	77.5	Confident	78.9	Confident	30 Å²	30	60 Å²	60	11%	0.113	32%	0.316	C	S	.	.	S	Bend	trans	-156.3	164.4	175.9	64	176.3	-170.7	-150.2	-6.2	111.3	D55 C58 R65 N68 Y79	D55-R71 VanDerWaalsContact CB-NH1 3.3Å; D55-R71 WeakPolarHBondContact OD1-CD 3.29Å; D55-R71 IonicContact OD1-CZ 3.63Å; D55-R71 IonicContact OD1-NE 3.74Å; D55-R71 IonicContact OD1-NH1 2.75Å; D55-R71 PolarHBondContact OD1-NH1 2.93Å; C58-R71 HydrophobicContact CB-CG 4.35Å; R65-R71 PolarHBondContact O-NH2 3.04Å; N68-R71 HydrophobicContact CB-CG 3.96Å; R71-Y79 HydrophobicContact CB-CD1 4.01Å; R71-Y79 HydrophobicContact CB-CE1 4.19Å
72	S	75.2	Confident	78.8	Confident	22 Å²	22	60.5 Å²	60.5	15%	0.154	32%	0.318	C	S	.	.			trans	-56.3	146	172.4	57.2	0	0	0	0	112.9	F74 G75 L76 G77	S72-F74 PolarHBondContact O-N 3.31Å; S72-F74 VanDerWaalsContact O-N 3.14Å; S72-G75 WeakPolarHBondContact O-CA 3.33Å; S72-G75 PolarHBondContact O-N 2.92Å; S72-L76 PolarHBondContact OG-N 2.77Å; S72-G77 WeakPolarHBondContact CB-O 3.32Å; S72-G77 PolarHBondContact N-O 3.42Å; S72-G77 PolarHBondContact OG-N 3.08Å; S72-G77 PolarHBondContact OG-O 2.96Å
73	M	64.8	Low	79.1	Confident	59 Å²	59	58.6 Å²	58.6	29%	0.291	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.5	-175.3	-173.7	173.9	73.6	0	0	114	L66 L67 G75	L66-M73 VanDerWaalsContact O-CG 3.23Å; L66-M73 WeakPolarHBondContact O-CG 3.24Å; L67-M73 HydrophobicContact CD2-CG 4.34Å; L67-M73 HydrophobicContact CD2-SD 4.14Å; M73-G75 VanDerWaalsContact C-N 3.31Å
74	F	71.7	Confident	79.7	Confident	127 Å²	127	52.8 Å²	52.8	56%	0.557	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	11	178.7	-63	-68.1	0	0	0	113.3	S72 L76 W138 A141	S72-F74 PolarHBondContact O-N 3.31Å; S72-F74 VanDerWaalsContact O-N 3.14Å; F74-L76 VanDerWaalsContact C-N 3.26Å; F74-L76 HydrophobicContact CB-CD1 4.38Å; F74-L76 HydrophobicContact CB-CG 4.13Å; F74-L76 PolarHBondContact O-N 2.75Å; F74-W138 HydrophobicContact CZ-CZ3 4.27Å; F74-A141 HydrophobicContact CE2-CB 4.03Å
75	G	69.9	Low	80.3	Confident	13 Å²	13	53.8 Å²	53.8	13%	0.134	27%	0.269	C	S	.	.	S	Bend	trans	62.5	30.4	178.3	0	0	0	0	0	113.5	K51 S72 M73 G77	K51-G75 WeakPolarHBondContact CE-O 3.25Å; K51-G75 PolarHBondContact NZ-O 3.45Å; S72-G75 WeakPolarHBondContact O-CA 3.33Å; S72-G75 PolarHBondContact O-N 2.92Å; M73-G75 VanDerWaalsContact C-N 3.31Å; G75-G77 VanDerWaalsContact C-N 3.26Å; G75-G77 PolarHBondContact O-N 3.43Å
76	L	76.8	Confident	81.2	Confident	83 Å²	83	47 Å²	47	44%	0.435	25%	0.246	S	C	.	.	S	Bend	trans	-80.9	-6.7	-179.6	-63.7	177	0	0	0	113	S72 F74	S72-L76 PolarHBondContact OG-N 2.77Å; F74-L76 VanDerWaalsContact C-N 3.26Å; F74-L76 HydrophobicContact CB-CD1 4.38Å; F74-L76 HydrophobicContact CB-CG 4.13Å; F74-L76 PolarHBondContact O-N 2.75Å
77	G	80.2	Confident	82.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	121.2	-137.5	-170.8	0	0	0	0	0	111	S72 G75	S72-G77 WeakPolarHBondContact CB-O 3.32Å; S72-G77 PolarHBondContact N-O 3.42Å; S72-G77 PolarHBondContact OG-N 3.08Å; S72-G77 PolarHBondContact OG-O 2.96Å; G75-G77 VanDerWaalsContact C-N 3.26Å; G75-G77 PolarHBondContact O-N 3.43Å
78	D	79.8	Confident	83.2	Confident	41 Å²	41	35.4 Å²	35.4	22%	0.219	19%	0.185	C	C	.	.			trans	58.7	51.2	-171.8	-161.6	30.7	0	0	0	111.1	Q33 F156	Q33-D78 HydrophobicContact CB-CB 4.18Å; Q33-D78 PolarHBondContact O-N 3.34Å; D78-F156 WeakPolarHBondContact OD2-CD1 3.25Å
79	Y	86.5	Confident	84	Confident	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.196	C	C	.	.			trans	-67.5	137.4	-178.7	-57.7	-72.9	0	0	0	110.3	L34 A36 K51 L54 D55 C58 H70 R71 V83 Q159	L34-Y79 HydrophobicContact CD2-CE2 3.72Å; A36-Y79 HydrophobicContact CB-CD2 4.01Å; A36-Y79 HydrophobicContact CB-CG 4.33Å; K51-Y79 VanDerWaalsContact CG-OH 3.27Å; K51-Y79 WeakPolarHBondContact CG-OH 3.31Å; K51-Y79 PolarHBondContact O-OH 3.31Å; L54-Y79 HydrophobicContact CB-CD1 4.13Å; L54-Y79 HydrophobicContact CB-CD2 4.27Å; L54-Y79 HydrophobicContact CB-CE1 3.68Å; L54-Y79 HydrophobicContact CB-CE2 3.83Å; L54-Y79 HydrophobicContact CB-CG 4.39Å; L54-Y79 HydrophobicContact CD1-CD2 3.64Å; L54-Y79 HydrophobicContact CD1-CE2 3.62Å; L54-Y79 HydrophobicContact CD1-CG 4.21Å; L54-Y79 HydrophobicContact CG-CE2 4.36Å; D55-Y79 PolarHBondContact OD1-OH 2.87Å; C58-Y79 WeakPolarHBondContact SG-CD1 3.41Å; H70-Y79 VanDerWaalsContact O-CA 3.31Å; H70-Y79 WeakPolarHBondContact O-CA 3.4Å; R71-Y79 HydrophobicContact CB-CD1 4.01Å; R71-Y79 HydrophobicContact CB-CE1 4.19Å; Y79-V83 HydrophobicContact CD1-CG1 4.12Å; Y79-V83 HydrophobicContact CD1-CG2 4.46Å; Y79-V83 HydrophobicContact CG-CG1 4.24Å; Y79-Q159 PolarHBondContact O-NE2 3.4Å; Y79-Q159 VanDerWaalsContact O-NE2 3.15Å
80	D	85.7	Confident	84.6	Confident	35 Å²	35	38.5 Å²	38.5	19%	0.187	19%	0.191	C	C	.	.			trans	-74.2	170.3	176.7	82.9	8	0	0	0	112.3	H70 N82 V83 I84	H70-D80 IonicContact CE1-OD2 2.67Å; H70-D80 IonicContact CG-OD2 3.71Å; H70-D80 IonicContact ND1-OD1 2.7Å; H70-D80 IonicContact ND1-OD2 3.58Å; H70-D80 PolarHBondContact ND1-OD2 2.84Å; H70-D80 PolarHBondContact O-N 2.81Å; H70-D80 VanDerWaalsContact O-N 3.11Å; D80-N82 PolarHBondContact O-N 2.77Å; D80-N82 VanDerWaalsContact OD1-CA 3.28Å; D80-N82 WeakPolarHBondContact OD1-CA 3.29Å; D80-N82 WeakPolarHBondContact OD1-CB 3.31Å; D80-N82 PolarHBondContact OD1-N 2.89Å; D80-N82 PolarHBondContact OD2-ND2 3.24Å; D80-V83 WeakPolarHBondContact O-CB 3.47Å; D80-V83 PolarHBondContact O-N 3.01Å; D80-V83 WeakPolarHBondContact OD1-CG2 3.33Å; D80-V83 PolarHBondContact OD1-N 2.87Å; D80-I84 PolarHBondContact O-N 3.5Å
81	I	87.3	Confident	85.2	Confident	28 Å²	28	40 Å²	40	14%	0.144	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-27.1	178.1	-169.9	61.2	0	0	0	112.9	V83 I84 Q85 F204	I81-V83 VanDerWaalsContact C-N 3.32Å; I81-V83 PolarHBondContact O-N 2.85Å; I81-I84 HydrophobicContact CD1-CB 4.17Å; I81-I84 HydrophobicContact CD1-CD1 4.1Å; I81-I84 HydrophobicContact CD1-CG2 4.21Å; I81-I84 WeakPolarHBondContact O-CB 3.41Å; I81-I84 PolarHBondContact O-N 2.59Å; I81-Q85 HydrophobicContact CG1-CG 4.5Å; I81-Q85 WeakPolarHBondContact O-CG 3.45Å; I81-Q85 PolarHBondContact O-N 3.19Å; I81-F204 HydrophobicContact CD1-CD2 3.87Å; I81-F204 HydrophobicContact CD1-CE2 3.68Å; I81-F204 HydrophobicContact CD1-CG 4.46Å; I81-F204 HydrophobicContact CD1-CZ 4.11Å; I81-F204 HydrophobicContact CG1-CD2 4.39Å; I81-F204 HydrophobicContact CG1-CE1 4.29Å; I81-F204 HydrophobicContact CG1-CE2 3.77Å; I81-F204 HydrophobicContact CG1-CZ 3.72Å
82	N	88.6	Confident	85.9	Confident	69 Å²	69	40.2 Å²	40.2	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-68	-35.7	178.3	-54.2	-54.5	0	0	0	110.8	L61 D80 I84 Q85 E86	L61-N82 HydrophobicContact CD1-CB 4.23Å; D80-N82 PolarHBondContact O-N 2.77Å; D80-N82 VanDerWaalsContact OD1-CA 3.28Å; D80-N82 WeakPolarHBondContact OD1-CA 3.29Å; D80-N82 WeakPolarHBondContact OD1-CB 3.31Å; D80-N82 PolarHBondContact OD1-N 2.89Å; D80-N82 PolarHBondContact OD2-ND2 3.24Å; N82-I84 VanDerWaalsContact C-N 3.32Å; N82-Q85 PolarHBondContact O-N 3.36Å; N82-Q85 PolarHBondContact OD1-OE1 2.82Å; N82-E86 WeakPolarHBondContact O-CB 3.29Å; N82-E86 WeakPolarHBondContact O-CG 2.92Å; N82-E86 PolarHBondContact O-N 2.84Å
83	V	92.8	Very high	86.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-42.8	172.5	178	0	0	0	0	110.7	L54 I57 C58 L61 H70 Y79 D80 I81 E86 A87	L54-V83 HydrophobicContact CB-CG1 4.21Å; L54-V83 HydrophobicContact CD2-CG1 4.2Å; I57-V83 HydrophobicContact CB-CG1 4.17Å; I57-V83 HydrophobicContact CG2-CB 4.29Å; I57-V83 HydrophobicContact CG2-CG1 3.9Å; I57-V83 HydrophobicContact CG2-CG2 4.37Å; C58-V83 VanDerWaalsContact SG-CG2 3.58Å; L61-V83 HydrophobicContact CD1-CG2 4.2Å; H70-V83 HydrophobicContact CB-CG2 3.7Å; Y79-V83 HydrophobicContact CD1-CG1 4.12Å; Y79-V83 HydrophobicContact CD1-CG2 4.46Å; Y79-V83 HydrophobicContact CG-CG1 4.24Å; D80-V83 WeakPolarHBondContact O-CB 3.47Å; D80-V83 PolarHBondContact O-N 3.01Å; D80-V83 WeakPolarHBondContact OD1-CG2 3.33Å; D80-V83 PolarHBondContact OD1-N 2.87Å; I81-V83 VanDerWaalsContact C-N 3.32Å; I81-V83 PolarHBondContact O-N 2.85Å; V83-E86 PolarHBondContact O-N 2.86Å; V83-A87 WeakPolarHBondContact O-CB 3.17Å; V83-A87 PolarHBondContact O-N 2.85Å
84	I	93.7	Very high	88.1	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-47.5	174.7	-68.6	174.3	0	0	0	110.2	A36 L40 D80 I81 N82 E86 A87 L88 I116 Q159	A36-I84 HydrophobicContact CB-CD1 3.86Å; A36-I84 HydrophobicContact CB-CG1 3.88Å; L40-I84 HydrophobicContact CD2-CG2 4.15Å; D80-I84 PolarHBondContact O-N 3.5Å; I81-I84 HydrophobicContact CD1-CB 4.17Å; I81-I84 HydrophobicContact CD1-CD1 4.1Å; I81-I84 HydrophobicContact CD1-CG2 4.21Å; I81-I84 WeakPolarHBondContact O-CB 3.41Å; I81-I84 PolarHBondContact O-N 2.59Å; N82-I84 VanDerWaalsContact C-N 3.32Å; I84-E86 PolarHBondContact O-N 3.09Å; I84-A87 WeakPolarHBondContact O-CB 3.3Å; I84-A87 PolarHBondContact O-N 2.88Å; I84-L88 HydrophobicContact CG2-CD1 3.99Å; I84-L88 HydrophobicContact CG2-CG 4.46Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 2.89Å; I84-I116 HydrophobicContact CD1-CG2 4.44Å; I84-I116 HydrophobicContact CG2-CD1 3.36Å; I84-Q159 HydrophobicContact CD1-CB 4.01Å; I84-Q159 HydrophobicContact CD1-CG 3.81Å
85	Q	92.8	Very high	89	Confident	62 Å²	62	32.1 Å²	32.1	29%	0.29	18%	0.179	S	C	.	.	H	α-helix	trans	-59.1	-48.6	178.7	-71.4	178.8	-68.8	0	0	111.1	I81 N82 A87 L88 L89 A95	I81-Q85 HydrophobicContact CG1-CG 4.5Å; I81-Q85 WeakPolarHBondContact O-CG 3.45Å; I81-Q85 PolarHBondContact O-N 3.19Å; N82-Q85 PolarHBondContact O-N 3.36Å; N82-Q85 PolarHBondContact OD1-OE1 2.82Å; Q85-A87 VanDerWaalsContact C-N 3.33Å; Q85-A87 PolarHBondContact O-N 3.22Å; Q85-L88 WeakPolarHBondContact O-CB 3.29Å; Q85-L88 PolarHBondContact O-N 3.04Å; Q85-L89 WeakPolarHBondContact O-CG 2.87Å; Q85-L89 PolarHBondContact O-N 2.96Å; Q85-A95 HydrophobicContact CG-CB 4.03Å
86	E	93.8	Very high	89.9	Confident	51 Å²	51	33 Å²	33	24%	0.238	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-39.1	176.3	-81	-62.4	128.7	0	0	113.4	I57 R60 L61 N82 V83 I84 L89 K90	I57-E86 HydrophobicContact CG2-CB 3.54Å; I57-E86 HydrophobicContact CG2-CG 4.17Å; R60-E86 IonicContact CZ-OE2 3.31Å; R60-E86 IonicContact NH1-OE2 3.48Å; R60-E86 PolarHBondContact NH1-OE2 2.86Å; R60-E86 IonicContact NH2-OE2 3.81Å; R60-E86 PolarHBondContact NH2-OE2 3.16Å; L61-E86 HydrophobicContact CD1-CG 4.06Å; L61-E86 HydrophobicContact CD2-CG 3.82Å; L61-E86 HydrophobicContact CG-CG 4.16Å; N82-E86 WeakPolarHBondContact O-CB 3.29Å; N82-E86 WeakPolarHBondContact O-CG 2.92Å; N82-E86 PolarHBondContact O-N 2.84Å; V83-E86 PolarHBondContact O-N 2.86Å; I84-E86 PolarHBondContact O-N 3.09Å; E86-L89 PolarHBondContact O-N 3.37Å; E86-K90 PolarHBondContact O-N 2.74Å
87	A	96.1	Very high	90.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-49.9	174.2	0	0	0	0	0	110.4	L40 Y49 L54 I57 V83 I84 Q85 L89 K90	L40-A87 HydrophobicContact CD1-CB 3.64Å; L40-A87 HydrophobicContact CD2-CB 4.25Å; Y49-A87 HydrophobicContact CD2-CB 4.49Å; Y49-A87 HydrophobicContact CE1-CB 4.16Å; Y49-A87 HydrophobicContact CE2-CB 3.81Å; Y49-A87 VanDerWaalsContact OH-C 3.31Å; Y49-A87 PolarHBondContact OH-O 3.34Å; L54-A87 HydrophobicContact CD2-CB 4.24Å; I57-A87 HydrophobicContact CD1-CB 3.77Å; V83-A87 WeakPolarHBondContact O-CB 3.17Å; V83-A87 PolarHBondContact O-N 2.85Å; I84-A87 WeakPolarHBondContact O-CB 3.3Å; I84-A87 PolarHBondContact O-N 2.88Å; Q85-A87 VanDerWaalsContact C-N 3.33Å; Q85-A87 PolarHBondContact O-N 3.22Å; A87-L89 PolarHBondContact O-N 3.25Å; A87-K90 WeakPolarHBondContact O-CB 3.43Å; A87-K90 PolarHBondContact O-N 3.14Å
88	L	95.8	Very high	90.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.5	-37.7	177.9	-68.6	168.4	0	0	0	112.9	L40 L43 F44 I84 Q85 K90 T91 G92 C93 A95 I116 I206	L40-L88 HydrophobicContact CD2-CD2 3.98Å; L40-L88 HydrophobicContact CD2-CG 4.09Å; L43-L88 HydrophobicContact CD2-CD2 3.99Å; F44-L88 HydrophobicContact CE2-CD2 3.73Å; F44-L88 HydrophobicContact CZ-CD2 3.68Å; I84-L88 HydrophobicContact CG2-CD1 3.99Å; I84-L88 HydrophobicContact CG2-CG 4.46Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 2.89Å; Q85-L88 WeakPolarHBondContact O-CB 3.29Å; Q85-L88 PolarHBondContact O-N 3.04Å; L88-K90 PolarHBondContact O-N 3.03Å; L88-T91 PolarHBondContact O-N 3.21Å; L88-T91 PolarHBondContact O-OG1 3.19Å; L88-G92 PolarHBondContact O-N 3.42Å; L88-C93 CarbonylContact C-O 3.31Å; L88-C93 VanDerWaalsContact C-O 3.31Å; L88-C93 HydrophobicContact CB-CB 4.16Å; L88-C93 HydrophobicContact CD2-CB 4.13Å; L88-C93 CarbonylContact O-C 3.52Å; L88-C93 WeakPolarHBondContact O-CA 3.2Å; L88-C93 PolarHBondContact O-N 2.75Å; L88-C93 VanDerWaalsContact O-O 3.06Å; L88-A95 HydrophobicContact CD1-CB 3.77Å; L88-I116 HydrophobicContact CD1-CD1 4.31Å; L88-I206 HydrophobicContact CD1-CD1 3.6Å; L88-I206 HydrophobicContact CD1-CG1 4.34Å; L88-I206 HydrophobicContact CD1-CG2 4.24Å; L88-I206 HydrophobicContact CD2-CG2 3.71Å
89	L	93.7	Very high	91	Very high	53 Å²	53	36.8 Å²	36.8	28%	0.277	19%	0.189	S	C	.	.	H	α-helix	trans	-61.4	-32.3	177	-63.4	-172.5	0	0	0	112.5	Q85 E86 A87 T91 G92 C93 R209	Q85-L89 WeakPolarHBondContact O-CG 2.87Å; Q85-L89 PolarHBondContact O-N 2.96Å; E86-L89 PolarHBondContact O-N 3.37Å; A87-L89 PolarHBondContact O-N 3.25Å; L89-T91 VanDerWaalsContact C-N 3.28Å; L89-T91 PolarHBondContact O-N 2.73Å; L89-G92 PolarHBondContact O-N 3.42Å; L89-C93 WeakPolarHBondContact CA-O 3.35Å; L89-C93 WeakPolarHBondContact CD2-O 3.26Å; L89-R209 PolarHBondContact O-NH1 2.67Å
90	K	93.2	Very high	90.8	Very high	111 Å²	111	41.7 Å²	41.7	48%	0.483	21%	0.208	S	C	.	.	H	α-helix	trans	-71.4	-21.4	176.5	-67.2	-175.9	172.3	-170.2	0	113	E86 A87 L88	E86-K90 PolarHBondContact O-N 2.74Å; A87-K90 WeakPolarHBondContact O-CB 3.43Å; A87-K90 PolarHBondContact O-N 3.14Å; L88-K90 PolarHBondContact O-N 3.03Å
91	T	92.6	Very high	90.5	Very high	53 Å²	53	50.2 Å²	50.2	33%	0.325	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	12.4	176.5	61.3	0	0	0	0	113.1	F44 I48 Y49 L88 L89 C93	F44-T91 HydrophobicContact CE2-CG2 4.33Å; F44-T91 HydrophobicContact CZ-CG2 4.16Å; F44-T91 WeakPolarHBondContact CZ-OG1 3.34Å; I48-T91 HydrophobicContact CD1-CG2 3.89Å; Y49-T91 HydrophobicContact CE2-CG2 4.36Å; Y49-T91 WeakPolarHBondContact OH-CG2 3.42Å; L88-T91 PolarHBondContact O-N 3.21Å; L88-T91 PolarHBondContact O-OG1 3.19Å; L89-T91 VanDerWaalsContact C-N 3.28Å; L89-T91 PolarHBondContact O-N 2.73Å; T91-C93 PolarHBondContact O-N 3.38Å
92	G	92.5	Very high	90	Very high	36 Å²	36	53.3 Å²	53.3	37%	0.371	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	20.7	-176.4	0	0	0	0	0	113.1	L88 L89 R209	L88-G92 PolarHBondContact O-N 3.42Å; L89-G92 PolarHBondContact O-N 3.42Å; G92-R209 VanDerWaalsContact O-CB 3.32Å; G92-R209 WeakPolarHBondContact O-CB 3.42Å; G92-R209 PolarHBondContact O-N 3.21Å
93	C	94.4	Very high	89.4	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	166.8	177.4	-64.4	0	0	0	0	110.9	F44 L88 L89 T91 I206 V207	F44-C93 HydrophobicContact CZ-CB 4.42Å; L88-C93 CarbonylContact C-O 3.31Å; L88-C93 VanDerWaalsContact C-O 3.31Å; L88-C93 HydrophobicContact CB-CB 4.16Å; L88-C93 HydrophobicContact CD2-CB 4.13Å; L88-C93 CarbonylContact O-C 3.52Å; L88-C93 WeakPolarHBondContact O-CA 3.2Å; L88-C93 PolarHBondContact O-N 2.75Å; L88-C93 VanDerWaalsContact O-O 3.06Å; L89-C93 WeakPolarHBondContact CA-O 3.35Å; L89-C93 WeakPolarHBondContact CD2-O 3.26Å; T91-C93 PolarHBondContact O-N 3.38Å; C93-I206 HydrophobicContact CB-CG2 3.99Å; C93-V207 CarbonylContact C-O 3.47Å; C93-V207 VanDerWaalsContact CA-O 3.25Å; C93-V207 WeakPolarHBondContact CA-O 3.5Å
94	S	92	Very high	88.6	Confident	14 Å²	14	55.2 Å²	55.2	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	145.2	173.7	-66.8	0	0	0	0	109.8	I206 V207	S94-I206 WeakPolarHBondContact O-CA 3.44Å; S94-V207 PolarHBondContact N-O 2.84Å; S94-V207 PolarHBondContact O-N 3.46Å
95	A	91.8	Very high	87.6	Confident	17 Å²	17	58.3 Å²	58.3	14%	0.14	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.6	173.3	0	0	0	0	0	109.6	Q85 L88 F204 I206	Q85-A95 HydrophobicContact CG-CB 4.03Å; L88-A95 HydrophobicContact CD1-CB 3.77Å; A95-F204 HydrophobicContact CB-CB 4.24Å; A95-F204 HydrophobicContact CB-CD1 4.23Å; A95-I206 HydrophobicContact CB-CD1 3.62Å
96	L	88.7	Confident	86.5	Confident	31 Å²	31	58.8 Å²	58.8	16%	0.162	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.1	172.9	-59.6	179.1	0	0	0	108.9	F98 F204 T205 V207 A212 V215	L96-F98 PolarHBondContact O-N 3.2Å; L96-F204 CarbonylContact O-C 3.54Å; L96-F204 WeakPolarHBondContact O-CA 3.47Å; L96-T205 PolarHBondContact N-O 3.27Å; L96-T205 PolarHBondContact O-N 3.46Å; L96-V207 HydrophobicContact CD1-CG1 4.48Å; L96-V207 HydrophobicContact CD1-CG2 3.75Å; L96-V207 HydrophobicContact CG-CG2 4.08Å; L96-A212 HydrophobicContact CD2-CB 4.18Å; L96-V215 HydrophobicContact CD1-CB 4.2Å; L96-V215 HydrophobicContact CD1-CG1 4.07Å; L96-V215 HydrophobicContact CD1-CG2 4.36Å
97	W	88.4	Confident	85.2	Confident	156 Å²	156	57.1 Å²	57.1	59%	0.591	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	127.3	174	-166.4	-60.1	0	0	0	109.5	D99 Q202 F204	W97-D99 PolarHBondContact O-N 3.08Å; W97-Q202 HydrophobicContact CH2-CG 3.97Å; W97-Q202 HydrophobicContact CZ2-CB 4.37Å; W97-Q202 HydrophobicContact CZ2-CG 3.76Å; W97-F204 HydrophobicContact CB-CD1 4.47Å; W97-F204 HydrophobicContact CB-CE1 4.3Å; W97-F204 HydrophobicContact CD2-CE1 4.04Å; W97-F204 HydrophobicContact CD2-CZ 4.25Å; W97-F204 AromaticContact CE3-CE1 3.65Å; W97-F204 HydrophobicContact CE3-CE1 3.65Å; W97-F204 AromaticContact CE3-CZ 3.79Å; W97-F204 HydrophobicContact CE3-CZ 3.79Å; W97-F204 HydrophobicContact CG-CE1 4.35Å; W97-F204 HydrophobicContact CZ3-CE1 4.34Å; W97-F204 HydrophobicContact CZ3-CZ 4.05Å
98	F	87	Confident	83.7	Confident	10 Å²	10	59 Å²	59	4%	0.044	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-74.5	116.1	175.8	-180	-105	0	0	0	111	L96 R100 K102 V104 V107 L196 L203	L96-F98 PolarHBondContact O-N 3.2Å; F98-R100 PolarHBondContact O-N 3.03Å; F98-K102 VanDerWaalsContact CZ-O 3.29Å; F98-K102 WeakPolarHBondContact CZ-O 3.35Å; F98-V104 HydrophobicContact CE1-CG1 3.78Å; F98-V104 HydrophobicContact CE2-CG1 4.1Å; F98-V104 HydrophobicContact CZ-CB 4.22Å; F98-V104 HydrophobicContact CZ-CG1 3.43Å; F98-V104 VanDerWaalsContact CZ-CG1 3.43Å; F98-V107 HydrophobicContact CD2-CG2 3.45Å; F98-V107 VanDerWaalsContact CD2-CG2 3.45Å; F98-V107 HydrophobicContact CE2-CG2 3.23Å; F98-V107 HydrophobicContact CZ-CG2 4.43Å; F98-L196 HydrophobicContact CD1-CD1 3.8Å; F98-L196 HydrophobicContact CE1-CD1 3.56Å; F98-L203 HydrophobicContact CB-CB 3.98Å; F98-L203 HydrophobicContact CB-CD2 4.06Å; F98-L203 HydrophobicContact CB-CG 4.1Å; F98-L203 WeakPolarHBondContact CB-O 3.26Å; F98-L203 HydrophobicContact CD1-CD2 3.95Å; F98-L203 HydrophobicContact CG-CD2 3.93Å; F98-L203 PolarHBondContact N-O 3.43Å
99	D	83.2	Confident	82.2	Confident	39 Å²	39	62.2 Å²	62.2	21%	0.209	31%	0.31	C	S	.	.			trans	-70.8	110.6	173.4	-174.5	-11.5	0	0	0	110	W97 R101 K102	W97-D99 PolarHBondContact O-N 3.08Å; D99-R101 PolarHBondContact O-N 3.32Å; D99-R101 VanDerWaalsContact OD1-CB 3.29Å; D99-R101 WeakPolarHBondContact OD1-CB 2.76Å; D99-R101 WeakPolarHBondContact OD1-CG 3Å; D99-R101 IonicContact OD1-CZ 2.98Å; D99-R101 PolarHBondContact OD1-N 3.31Å; D99-R101 IonicContact OD1-NE 3.78Å; D99-R101 PolarHBondContact OD1-NE 3.23Å; D99-R101 IonicContact OD1-NH2 3.32Å; D99-R101 IonicContact OD2-CZ 3.5Å; D99-R101 IonicContact OD2-NE 3.39Å; D99-R101 PolarHBondContact OD2-NE 3.08Å; D99-R101 IonicContact OD2-NH2 3.07Å; D99-R101 PolarHBondContact OD2-NH2 3.33Å; D99-K102 HydrophobicContact CB-CD 4Å; D99-K102 HydrophobicContact CB-CG 4Å; D99-K102 WeakPolarHBondContact O-CB 3.47Å; D99-K102 PolarHBondContact O-N 3.17Å
100	R	83.2	Confident	80.7	Confident	104 Å²	104	66.2 Å²	66.2	39%	0.392	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.8	179.3	-71.6	175.5	157.1	-116.6	-8.8	114.5	F98 K102 L196 S198 V201	F98-R100 PolarHBondContact O-N 3.03Å; R100-K102 VanDerWaalsContact C-N 3.3Å; R100-L196 HydrophobicContact CG-CD2 4.47Å; R100-L196 VanDerWaalsContact CZ-O 3.31Å; R100-L196 PolarHBondContact NH1-O 3.3Å; R100-L196 PolarHBondContact NH2-O 2.7Å; R100-L196 VanDerWaalsContact NH2-O 3.17Å; R100-S198 PolarHBondContact NH2-O 3.46Å; R100-V201 PolarHBondContact NH2-O 3Å
101	R	78.4	Confident	80.1	Confident	214 Å²	214	63 Å²	63	81%	0.808	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-15.7	176.2	-57	171.1	-64.9	177.5	4.8	112	D99	D99-R101 PolarHBondContact O-N 3.32Å; D99-R101 VanDerWaalsContact OD1-CB 3.29Å; D99-R101 WeakPolarHBondContact OD1-CB 2.76Å; D99-R101 WeakPolarHBondContact OD1-CG 3Å; D99-R101 IonicContact OD1-CZ 2.98Å; D99-R101 PolarHBondContact OD1-N 3.31Å; D99-R101 IonicContact OD1-NE 3.78Å; D99-R101 PolarHBondContact OD1-NE 3.23Å; D99-R101 IonicContact OD1-NH2 3.32Å; D99-R101 IonicContact OD2-CZ 3.5Å; D99-R101 IonicContact OD2-NE 3.39Å; D99-R101 PolarHBondContact OD2-NE 3.08Å; D99-R101 IonicContact OD2-NH2 3.07Å; D99-R101 PolarHBondContact OD2-NH2 3.33Å
102	K	76.4	Confident	79.9	Confident	93 Å²	93	61.5 Å²	61.5	40%	0.404	31%	0.314	S	S	.	.	S	Bend	trans	-91.1	152.1	178.2	-62.2	-176.5	-176.1	177	0	110.1	F98 D99 R100	F98-K102 VanDerWaalsContact CZ-O 3.29Å; F98-K102 WeakPolarHBondContact CZ-O 3.35Å; D99-K102 HydrophobicContact CB-CD 4Å; D99-K102 HydrophobicContact CB-CG 4Å; D99-K102 WeakPolarHBondContact O-CB 3.47Å; D99-K102 PolarHBondContact O-N 3.17Å; R100-K102 VanDerWaalsContact C-N 3.3Å
103	N	77.3	Confident	79.9	Confident	99 Å²	99	60.5 Å²	60.5	53%	0.529	30%	0.3	S	S	.	.			trans	-73	135.2	170.3	-168.8	-46.4	0	0	0	109.2	D105 S106	N103-D105 PolarHBondContact O-N 2.91Å; N103-D105 VanDerWaalsContact O-N 3.13Å; N103-D105 WeakPolarHBondContact OD1-CB 3.01Å; N103-D105 PolarHBondContact OD1-N 3.12Å; N103-S106 WeakPolarHBondContact O-CB 3.37Å; N103-S106 PolarHBondContact O-N 2.98Å; N103-S106 PolarHBondContact O-OG 3.07Å
104	V	75	Confident	79.9	Confident	10 Å²	10	60.2 Å²	60.2	6%	0.061	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-56.6	-24.2	176.7	-73.9	0	0	0	0	112.8	F98 S106 V107 V189 L192 L196	F98-V104 HydrophobicContact CE1-CG1 3.78Å; F98-V104 HydrophobicContact CE2-CG1 4.1Å; F98-V104 HydrophobicContact CZ-CB 4.22Å; F98-V104 HydrophobicContact CZ-CG1 3.43Å; F98-V104 VanDerWaalsContact CZ-CG1 3.43Å; V104-S106 PolarHBondContact O-N 3.14Å; V104-V107 WeakPolarHBondContact O-CB 3.23Å; V104-V107 WeakPolarHBondContact O-CG2 3.21Å; V104-V107 PolarHBondContact O-N 3.28Å; V104-V189 HydrophobicContact CG2-CB 4.04Å; V104-V189 HydrophobicContact CG2-CG1 3.63Å; V104-V189 HydrophobicContact CG2-CG2 3.93Å; V104-L192 HydrophobicContact CB-CD1 4.38Å; V104-L192 HydrophobicContact CG1-CB 4.06Å; V104-L192 HydrophobicContact CG1-CD1 4.26Å; V104-L196 HydrophobicContact CG1-CD1 4.18Å
105	D	73.1	Confident	80	Confident	65 Å²	65	59.6 Å²	59.6	35%	0.348	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-61.3	-26.1	174.6	-90.8	-45.2	0	0	0	114.3	N103 V107 R185	N103-D105 PolarHBondContact O-N 2.91Å; N103-D105 VanDerWaalsContact O-N 3.13Å; N103-D105 WeakPolarHBondContact OD1-CB 3.01Å; N103-D105 PolarHBondContact OD1-N 3.12Å; D105-V107 PolarHBondContact O-N 3.34Å; D105-R185 PolarHBondContact O-NH2 3.48Å; D105-R185 IonicContact OD1-CZ 3.22Å; D105-R185 IonicContact OD1-NE 3.04Å; D105-R185 PolarHBondContact OD1-NE 2.92Å; D105-R185 IonicContact OD1-NH2 2.93Å; D105-R185 PolarHBondContact OD1-NH2 3.31Å
106	S	69.1	Low	80.2	Confident	72 Å²	72	58.8 Å²	58.8	50%	0.503	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-73.2	-10.8	-178.9	66.4	0	0	0	0	114	N103 V104	N103-S106 WeakPolarHBondContact O-CB 3.37Å; N103-S106 PolarHBondContact O-N 2.98Å; N103-S106 PolarHBondContact O-OG 3.07Å; V104-S106 PolarHBondContact O-N 3.14Å
107	V	66.7	Low	80.4	Confident	17 Å²	17	57.3 Å²	57.3	10%	0.103	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-88.3	-23.1	-167	-175.9	0	0	0	0	113.2	F98 V104 D105 T109 F115 T205	F98-V107 HydrophobicContact CD2-CG2 3.45Å; F98-V107 VanDerWaalsContact CD2-CG2 3.45Å; F98-V107 HydrophobicContact CE2-CG2 3.23Å; F98-V107 HydrophobicContact CZ-CG2 4.43Å; V104-V107 WeakPolarHBondContact O-CB 3.23Å; V104-V107 WeakPolarHBondContact O-CG2 3.21Å; V104-V107 PolarHBondContact O-N 3.28Å; D105-V107 PolarHBondContact O-N 3.34Å; V107-T109 VanDerWaalsContact C-N 3.33Å; V107-T109 PolarHBondContact O-N 2.56Å; V107-F115 HydrophobicContact CB-CE1 4.47Å; V107-F115 HydrophobicContact CB-CZ 4.43Å; V107-F115 HydrophobicContact CG1-CE1 3.72Å; V107-F115 HydrophobicContact CG1-CZ 3.95Å; V107-T205 HydrophobicContact CG1-CG2 3.15Å; V107-T205 WeakPolarHBondContact CG1-OG1 3.41Å
108	L	65	Low	80.4	Confident	38 Å²	38	50.4 Å²	50.4	20%	0.199	25%	0.254	C	S	.	.			trans	-81	79.9	-175.3	-60	175.8	0	0	0	110.1	F112 F115 R185	L108-F112 HydrophobicContact CD2-CD1 3.88Å; L108-F112 HydrophobicContact CD2-CD2 4.22Å; L108-F112 HydrophobicContact CD2-CE1 3.76Å; L108-F112 HydrophobicContact CD2-CE2 4.09Å; L108-F112 HydrophobicContact CD2-CG 4.11Å; L108-F112 HydrophobicContact CD2-CZ 3.85Å; L108-F115 HydrophobicContact CD2-CZ 4.48Å; L108-R185 HydrophobicContact CD1-CG 3.84Å
109	T	65.5	Low	80.3	Confident	69 Å²	69	51.5 Å²	51.5	42%	0.423	26%	0.261	S	S	.	.			trans	-91.3	170.3	173.5	62.8	0	0	0	0	111.3	V107 D111 F112	V107-T109 VanDerWaalsContact C-N 3.33Å; V107-T109 PolarHBondContact O-N 2.56Å; T109-D111 PolarHBondContact O-N 2.82Å; T109-D111 VanDerWaalsContact O-N 3.08Å; T109-F112 VanDerWaalsContact O-CB 3.28Å; T109-F112 WeakPolarHBondContact O-CB 3.22Å; T109-F112 PolarHBondContact O-N 3.36Å
110	T	61.2	Low	79.7	Confident	137 Å²	137	51.8 Å²	51.8	84%	0.84	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.1	-177.6	42.7	0	0	0	0	115.2
111	D	81.2	Confident	78.8	Confident	42 Å²	42	49.3 Å²	49.3	23%	0.225	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	20.2	-176.5	-60.6	-64.4	0	0	0	113.3	T109 I113 V207 R208 S211	T109-D111 PolarHBondContact O-N 2.82Å; T109-D111 VanDerWaalsContact O-N 3.08Å; D111-I113 PolarHBondContact O-N 3.05Å; D111-V207 CarbonylContact O-C 3.58Å; D111-V207 VanDerWaalsContact O-CA 3.26Å; D111-V207 WeakPolarHBondContact O-CA 3.48Å; D111-R208 HydrophobicContact CB-CB 4.16Å; D111-R208 HydrophobicContact CB-CG 4.47Å; D111-R208 PolarHBondContact O-N 2.83Å; D111-R208 IonicContact OD1-NH1 3.71Å; D111-S211 WeakPolarHBondContact CB-OG 2.99Å; D111-S211 PolarHBondContact OD2-OG 3.4Å
112	F	88.2	Confident	77.5	Confident	22 Å²	22	42.6 Å²	42.6	10%	0.096	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.6	178.1	173.2	-101.1	0	0	0	111.7	L108 T109 G114 F115 Y169 T205	L108-F112 HydrophobicContact CD2-CD1 3.88Å; L108-F112 HydrophobicContact CD2-CD2 4.22Å; L108-F112 HydrophobicContact CD2-CE1 3.76Å; L108-F112 HydrophobicContact CD2-CE2 4.09Å; L108-F112 HydrophobicContact CD2-CG 4.11Å; L108-F112 HydrophobicContact CD2-CZ 3.85Å; T109-F112 VanDerWaalsContact O-CB 3.28Å; T109-F112 WeakPolarHBondContact O-CB 3.22Å; T109-F112 PolarHBondContact O-N 3.36Å; F112-G114 VanDerWaalsContact CE2-C 3.46Å; F112-G114 VanDerWaalsContact CE2-O 3.24Å; F112-G114 WeakPolarHBondContact CE2-O 3.44Å; F112-F115 HydrophobicContact CE1-CE2 4.45Å; F112-F115 HydrophobicContact CE2-CD1 4.43Å; F112-F115 AromaticContact CE2-CD2 3.93Å; F112-F115 HydrophobicContact CE2-CD2 3.93Å; F112-F115 HydrophobicContact CE2-CE1 4.11Å; F112-F115 AromaticContact CE2-CE2 3.52Å; F112-F115 HydrophobicContact CE2-CE2 3.52Å; F112-F115 HydrophobicContact CE2-CG 4.36Å; F112-F115 AromaticContact CE2-CZ 3.62Å; F112-F115 HydrophobicContact CE2-CZ 3.62Å; F112-F115 AromaticContact CZ-CD2 3.63Å; F112-F115 HydrophobicContact CZ-CD2 3.63Å; F112-F115 AromaticContact CZ-CE2 3.28Å; F112-F115 HydrophobicContact CZ-CE2 3.28Å; F112-F115 HydrophobicContact CZ-CG 4.44Å; F112-F115 AromaticContact CZ-CZ 3.87Å; F112-F115 HydrophobicContact CZ-CZ 3.87Å; F112-Y169 AromaticContact CE1-CE1 3.97Å; F112-Y169 HydrophobicContact CE1-CE1 3.97Å; F112-Y169 HydrophobicContact CZ-CE1 4.42Å; F112-T205 HydrophobicContact CD2-CG2 3.77Å; F112-T205 HydrophobicContact CE2-CG2 3.94Å
113	I	92.4	Very high	76	Confident	15 Å²	15	46.6 Å²	46.6	8%	0.077	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-41.6	172.6	-56.2	-60.5	0	0	0	110.4	L43 F44 D111 R163 I206 R208	L43-I113 HydrophobicContact CD1-CG2 4.21Å; L43-I113 HydrophobicContact CG-CG2 4.21Å; F44-I113 HydrophobicContact CE1-CG2 4.43Å; D111-I113 PolarHBondContact O-N 3.05Å; I113-R163 VanDerWaalsContact C-NH1 3.27Å; I113-R163 VanDerWaalsContact CA-NH1 3.34Å; I113-R163 WeakPolarHBondContact O-CD 3.42Å; I113-R163 PolarHBondContact O-NE 3.15Å; I113-R163 PolarHBondContact O-NH1 2.99Å; I113-I206 HydrophobicContact CB-CB 4.31Å; I113-I206 HydrophobicContact CB-CG2 4.14Å; I113-I206 PolarHBondContact N-O 3.2Å; I113-R208 HydrophobicContact CD1-CG 4.16Å; I113-R208 HydrophobicContact CG1-CG 4.41Å
114	G	94.5	Very high	74.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-166.6	-177.1	0	0	0	0	0	112	F112 I162 I206	F112-G114 VanDerWaalsContact CE2-C 3.46Å; F112-G114 VanDerWaalsContact CE2-O 3.24Å; F112-G114 WeakPolarHBondContact CE2-O 3.44Å; G114-I162 CarbonylContact C-O 3.58Å; G114-I162 WeakPolarHBondContact CA-O 3.43Å; G114-I206 PolarHBondContact N-O 3.14Å; G114-I206 PolarHBondContact O-N 3.35Å
115	F	94.3	Very high	72.8	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.5	170.1	-57.9	-86.1	0	0	0	110.9	V107 L108 F112 A161 I162 L188 L192 L203 F204 T205	V107-F115 HydrophobicContact CB-CE1 4.47Å; V107-F115 HydrophobicContact CB-CZ 4.43Å; V107-F115 HydrophobicContact CG1-CE1 3.72Å; V107-F115 HydrophobicContact CG1-CZ 3.95Å; L108-F115 HydrophobicContact CD2-CZ 4.48Å; F112-F115 HydrophobicContact CE1-CE2 4.45Å; F112-F115 HydrophobicContact CE2-CD1 4.43Å; F112-F115 AromaticContact CE2-CD2 3.93Å; F112-F115 HydrophobicContact CE2-CD2 3.93Å; F112-F115 HydrophobicContact CE2-CE1 4.11Å; F112-F115 AromaticContact CE2-CE2 3.52Å; F112-F115 HydrophobicContact CE2-CE2 3.52Å; F112-F115 HydrophobicContact CE2-CG 4.36Å; F112-F115 AromaticContact CE2-CZ 3.62Å; F112-F115 HydrophobicContact CE2-CZ 3.62Å; F112-F115 AromaticContact CZ-CD2 3.63Å; F112-F115 HydrophobicContact CZ-CD2 3.63Å; F112-F115 AromaticContact CZ-CE2 3.28Å; F112-F115 HydrophobicContact CZ-CE2 3.28Å; F112-F115 HydrophobicContact CZ-CG 4.44Å; F112-F115 AromaticContact CZ-CZ 3.87Å; F112-F115 HydrophobicContact CZ-CZ 3.87Å; F115-A161 CarbonylContact O-C 3.57Å; F115-A161 VanDerWaalsContact O-CA 3.26Å; F115-A161 WeakPolarHBondContact O-CA 3.22Å; F115-I162 HydrophobicContact CB-CB 4.16Å; F115-I162 HydrophobicContact CD2-CB 4.32Å; F115-I162 HydrophobicContact CD2-CG2 4.37Å; F115-I162 PolarHBondContact N-O 3.29Å; F115-I162 PolarHBondContact O-N 3.22Å; F115-L188 HydrophobicContact CE2-CD2 4.11Å; F115-L192 HydrophobicContact CD2-CD1 4.34Å; F115-L192 HydrophobicContact CE1-CD1 4.22Å; F115-L192 HydrophobicContact CE2-CD1 3.86Å; F115-L192 HydrophobicContact CZ-CD1 3.8Å; F115-L203 HydrophobicContact CB-CD1 3.74Å; F115-L203 HydrophobicContact CD1-CD1 3.76Å; F115-L203 HydrophobicContact CD1-CD2 3.98Å; F115-L203 HydrophobicContact CD1-CG 3.85Å; F115-L203 HydrophobicContact CE1-CD2 4.13Å; F115-L203 HydrophobicContact CE1-CG 4.46Å; F115-L203 HydrophobicContact CG-CD1 3.99Å; F115-F204 CarbonylContact C-O 3.53Å; F115-F204 WeakPolarHBondContact CA-O 3.27Å; F115-T205 HydrophobicContact CE1-CG2 4.32Å
116	I	95.4	Very high	71.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.5	158.1	-68.6	-178.2	0	0	0	107.2	L40 L43 I84 L88 Q159 Y160 F204 I206	L40-I116 HydrophobicContact CD2-CD1 4.45Å; L43-I116 HydrophobicContact CD2-CD1 4.13Å; L43-I116 HydrophobicContact CD2-CG1 4.25Å; I84-I116 HydrophobicContact CD1-CG2 4.44Å; I84-I116 HydrophobicContact CG2-CD1 3.36Å; L88-I116 HydrophobicContact CD1-CD1 4.31Å; I116-Q159 HydrophobicContact CG2-CB 4.4Å; I116-Y160 WeakPolarHBondContact CA-O 3.44Å; I116-F204 HydrophobicContact CB-CB 4.4Å; I116-F204 PolarHBondContact N-O 3.13Å; I116-F204 PolarHBondContact O-N 3.45Å; I116-I206 HydrophobicContact CB-CD1 4.34Å; I116-I206 HydrophobicContact CD1-CD1 4.12Å; I116-I206 HydrophobicContact CD1-CG1 4.24Å; I116-I206 HydrophobicContact CG1-CD1 4.09Å; I116-I206 HydrophobicContact CG1-CG1 3.97Å
117	V	92.7	Very high	70.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.9	171.4	-179.9	0	0	0	0	107.5	V119 Q159 Y160 I162 L195 V201 L203	V117-V119 HydrophobicContact CG1-CG2 3.82Å; V117-Q159 WeakPolarHBondContact O-CA 3.26Å; V117-Y160 HydrophobicContact CB-CD1 3.92Å; V117-Y160 HydrophobicContact CB-CD2 4.33Å; V117-Y160 HydrophobicContact CB-CE1 3.54Å; V117-Y160 HydrophobicContact CB-CE2 3.98Å; V117-Y160 HydrophobicContact CB-CG 4.32Å; V117-Y160 HydrophobicContact CG1-CD1 4.22Å; V117-Y160 HydrophobicContact CG1-CE1 3.47Å; V117-Y160 VanDerWaalsContact CG1-CE1 3.47Å; V117-Y160 HydrophobicContact CG2-CD2 4.4Å; V117-Y160 HydrophobicContact CG2-CE1 4.22Å; V117-Y160 HydrophobicContact CG2-CE2 3.79Å; V117-Y160 PolarHBondContact N-O 3.47Å; V117-Y160 PolarHBondContact O-N 3.32Å; V117-Y160 VanDerWaalsContact O-N 3.09Å; V117-I162 HydrophobicContact CG2-CD1 3.82Å; V117-I162 HydrophobicContact CG2-CG1 4.43Å; V117-L195 HydrophobicContact CB-CD2 4.34Å; V117-L195 HydrophobicContact CG1-CD1 4.26Å; V117-L195 HydrophobicContact CG1-CD2 3.71Å; V117-L195 HydrophobicContact CG1-CG 4.43Å; V117-L195 HydrophobicContact CG2-CD2 3.63Å; V117-V201 HydrophobicContact CG1-CG1 3.63Å; V117-L203 HydrophobicContact CG2-CD1 3.78Å
118	N	89.3	Confident	68.6	Low	12 Å²	12	58.8 Å²	58.8	6%	0.064	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.4	171.4	179	47.6	0	0	0	109.1	Q159 Q202 F204	N118-Q159 HydrophobicContact CB-CG 4.22Å; N118-Q159 WeakPolarHBondContact OD1-CG 3.47Å; N118-Q202 HydrophobicContact CB-CB 4.21Å; N118-Q202 PolarHBondContact N-O 3.29Å; N118-Q202 PolarHBondContact ND2-OE1 3.2Å; N118-Q202 PolarHBondContact O-N 3.48Å; N118-F204 HydrophobicContact CB-CD2 4.48Å; N118-F204 HydrophobicContact CB-CE2 4.04Å
119	V	83.5	Confident	67.2	Low	33 Å²	33	62.3 Å²	62.3	20%	0.2	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	102.8	177.6	-172.4	0	0	0	0	107.9	V117 A157 F158 Y160 V201	V117-V119 HydrophobicContact CG1-CG2 3.82Å; V119-A157 CarbonylContact O-C 3.55Å; V119-A157 WeakPolarHBondContact O-CA 3.4Å; V119-F158 PolarHBondContact N-O 2.92Å; V119-F158 PolarHBondContact O-N 3.23Å; V119-Y160 HydrophobicContact CG2-CE1 4.21Å; V119-V201 HydrophobicContact CG1-CG2 4.32Å; V119-V201 HydrophobicContact CG2-CG1 4.41Å; V119-V201 HydrophobicContact CG2-CG2 4.2Å
120	P	70.9	Confident	66.1	Low	44 Å²	44	65 Å²	65	29%	0.286	39%	0.386	S	S	.	.			trans	-69	152	179.6	31.1	-35.6	0	0	0	110.7	S122 D200	P120-S122 PolarHBondContact O-N 3.4Å; P120-D200 WeakPolarHBondContact CD-O 3.33Å; P120-D200 HydrophobicContact CG-CB 3.88Å; P120-D200 WeakPolarHBondContact CG-O 3.47Å
121	S	64.1	Low	65.1	Low	52 Å²	52	63.1 Å²	63.1	36%	0.364	38%	0.376	S	S	.	.			trans	-73.1	110.2	175	48.6	0	0	0	0	110.6	W123 P154 L155	S121-W123 PolarHBondContact O-N 3.02Å; S121-P154 WeakPolarHBondContact CB-O 3.07Å; S121-L155 VanDerWaalsContact CB-C 3.42Å; S121-L155 VanDerWaalsContact CB-O 3.23Å; S121-L155 WeakPolarHBondContact CB-O 3.39Å; S121-L155 PolarHBondContact OG-O 3.41Å
122	S	52.3	Low	63.2	Low	74 Å²	74	68.9 Å²	68.9	52%	0.517	41%	0.406	S	S	.	.			trans	-84.5	102.3	171.2	-171.9	0	0	0	0	109.2	P120	P120-S122 PolarHBondContact O-N 3.4Å
123	W	45.3	Very low	61	Low	176 Å²	176	77.9 Å²	77.9	67%	0.667	44%	0.439	S	S	*	.			trans	-86.3	129.1	165.7	147.4	-77.9	0	0	0	109.1	S121 L125	S121-W123 PolarHBondContact O-N 3.02Å; W123-L125 HydrophobicContact CD2-CB 3.78Å; W123-L125 VanDerWaalsContact CE2-CB 3.47Å; W123-L125 HydrophobicContact CE3-CB 3.7Å; W123-L125 HydrophobicContact CE3-CD1 4.05Å; W123-L125 HydrophobicContact CE3-CG 4.23Å; W123-L125 HydrophobicContact CH2-CB 3.14Å; W123-L125 HydrophobicContact CH2-CD1 3.09Å; W123-L125 HydrophobicContact CH2-CG 3.63Å; W123-L125 HydrophobicContact CZ2-CB 3.13Å; W123-L125 HydrophobicContact CZ2-CD1 4.05Å; W123-L125 HydrophobicContact CZ2-CG 4.14Å; W123-L125 HydrophobicContact CZ3-CB 3.44Å; W123-L125 VanDerWaalsContact CZ3-CB 3.44Å; W123-L125 HydrophobicContact CZ3-CD1 3.09Å; W123-L125 HydrophobicContact CZ3-CG 3.69Å
124	S	45.6	Very low	58.9	Low	100 Å²	100	82.7 Å²	82.7	70%	0.699	47%	0.474	S	S	*	.			trans	-136.6	86.9	156.6	67	0	0	0	0	107.8	L126	S124-L126 PolarHBondContact O-N 3.03Å
125	L	39.4	Very low	56.6	Low	91 Å²	91	90.3 Å²	90.3	48%	0.476	52%	0.515	S	S	.	.			trans	-82.2	113.5	174.9	-140.9	173.6	0	0	0	109	W123 G127	W123-L125 HydrophobicContact CD2-CB 3.78Å; W123-L125 VanDerWaalsContact CE2-CB 3.47Å; W123-L125 HydrophobicContact CE3-CB 3.7Å; W123-L125 HydrophobicContact CE3-CD1 4.05Å; W123-L125 HydrophobicContact CE3-CG 4.23Å; W123-L125 HydrophobicContact CH2-CB 3.14Å; W123-L125 HydrophobicContact CH2-CD1 3.09Å; W123-L125 HydrophobicContact CH2-CG 3.63Å; W123-L125 HydrophobicContact CZ2-CB 3.13Å; W123-L125 HydrophobicContact CZ2-CD1 4.05Å; W123-L125 HydrophobicContact CZ2-CG 4.14Å; W123-L125 HydrophobicContact CZ3-CB 3.44Å; W123-L125 VanDerWaalsContact CZ3-CB 3.44Å; W123-L125 HydrophobicContact CZ3-CD1 3.09Å; W123-L125 HydrophobicContact CZ3-CG 3.69Å; L125-G127 VanDerWaalsContact C-N 3.27Å; L125-G127 PolarHBondContact O-N 3.43Å
126	L	41.8	Very low	54.5	Low	146 Å²	146	100.1 Å²	100.1	76%	0.764	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.1	16.8	160.4	-87.3	157.3	0	0	0	120.3	S124 V128	S124-L126 PolarHBondContact O-N 3.03Å; L126-V128 VanDerWaalsContact O-CG2 3.29Å; L126-V128 WeakPolarHBondContact O-CG2 3.27Å; L126-V128 PolarHBondContact O-N 2.93Å
127	G	42.1	Very low	52.2	Low	81 Å²	81	105.2 Å²	105.2	84%	0.835	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.4	14.4	169.2	0	0	0	0	0	115.2	L125	L125-G127 VanDerWaalsContact C-N 3.27Å; L125-G127 PolarHBondContact O-N 3.43Å
128	V	36	Very low	49.6	Very low	101 Å²	101	114.4 Å²	114.4	61%	0.612	61%	0.61	S	S	*	*			trans	-109	118.6	177	-163.1	0	0	0	0	108.4	L126 I130	L126-V128 VanDerWaalsContact O-CG2 3.29Å; L126-V128 WeakPolarHBondContact O-CG2 3.27Å; L126-V128 PolarHBondContact O-N 2.93Å; V128-I130 PolarHBondContact O-N 3.37Å
129	P	36.4	Very low	47.4	Very low	112 Å²	112	118 Å²	118	73%	0.727	63%	0.632	S	S	*	*			trans	-67.4	105	167.5	26.8	-29.1	0	0	0	107.2	P131	P129-P131 WeakPolarHBondContact O-CD 3.12Å; P129-P131 WeakPolarHBondContact O-CG 3.21Å
130	I	42.2	Very low	45.5	Very low	125 Å²	125	126.2 Å²	126.2	64%	0.641	66%	0.66	S	S	*	*			trans	-69.5	108.6	176.3	-57.2	176	0	0	0	107.7	V128	V128-I130 PolarHBondContact O-N 3.37Å
131	P	38.6	Very low	44.4	Very low	98 Å²	98	125.8 Å²	125.8	64%	0.636	66%	0.66	S	S	*	*			trans	-87.5	149.6	173.7	11.7	11.4	0	0	0	108	P129	P129-P131 WeakPolarHBondContact O-CD 3.12Å; P129-P131 WeakPolarHBondContact O-CG 3.21Å
132	L	41.4	Very low	43.1	Very low	164 Å²	164	128.3 Å²	128.3	86%	0.859	68%	0.677	S	S	*	*	S	Bend	trans	85.9	20.8	164.7	-48.5	174.1	0	0	0	120.4
133	W	43.7	Very low	42.7	Very low	211 Å²	211	130.2 Å²	130.2	80%	0.799	68%	0.68	S	S	*	*			trans	-120.1	70.2	170.7	-70.2	61.3	0	0	0	111.2	N135	W133-N135 PolarHBondContact O-N 3.19Å
134	S	48.4	Very low	42.7	Very low	116 Å²	116	123.6 Å²	123.6	81%	0.811	66%	0.661	S	S	*	*			trans	-75.2	27.7	-176.8	-168.5	0	0	0	0	114.9
135	N	45.8	Very low	42.6	Very low	160 Å²	160	124.6 Å²	124.6	86%	0.856	66%	0.663	S	S	*	*			trans	-132.2	82.4	171	-96.7	-49.1	0	0	0	110.4	W133 H137	W133-N135 PolarHBondContact O-N 3.19Å; N135-H137 PolarHBondContact O-N 2.76Å
136	R	49.4	Very low	42.7	Very low	206 Å²	206	128.3 Å²	128.3	78%	0.777	68%	0.676	S	S	*	*			trans	-70.4	-4	-160.7	-81.3	-176.8	174.2	-174.4	-1	117.9
137	H	46.8	Very low	42.7	Very low	108 Å²	108	127.8 Å²	127.8	50%	0.5	67%	0.668	S	S	.	*	S	Bend	trans	-105.8	-32.6	-159.2	-78	-164.3	0	0	0	117.3	N135	N135-H137 PolarHBondContact O-N 2.76Å
138	W	38.4	Very low	42.5	Very low	192 Å²	192	133.1 Å²	133.1	73%	0.727	67%	0.671	S	S	*	*	H	α-helix	trans	-85	-32.6	-171.3	-66	98.7	0	0	0	114.5	F74 R140 A141 C142	F74-W138 HydrophobicContact CZ-CZ3 4.27Å; W138-R140 PolarHBondContact O-N 2.79Å; W138-A141 PolarHBondContact O-N 3.32Å; W138-C142 PolarHBondContact O-N 3.23Å
139	V	43.8	Very low	42.7	Very low	87 Å²	87	132 Å²	132	53%	0.527	66%	0.664	S	S	.	*	H	α-helix	trans	-73.5	-29.4	-177.8	-179.3	0	0	0	0	112.3	A141 C142 L143	V139-A141 VanDerWaalsContact C-N 3.31Å; V139-A141 PolarHBondContact O-N 3.42Å; V139-C142 PolarHBondContact O-N 2.98Å; V139-L143 HydrophobicContact CG1-CD1 3.62Å; V139-L143 PolarHBondContact O-N 3.2Å
140	R	42.8	Very low	43.2	Very low	206 Å²	206	135.7 Å²	135.7	78%	0.777	67%	0.669	S	S	*	*	H	α-helix	trans	-62.9	-34.6	174.9	-80.5	179.3	93.2	-177.5	6	112.9	W138	W138-R140 PolarHBondContact O-N 2.79Å
141	A	47.3	Very low	43.2	Very low	35 Å²	35	135.7 Å²	135.7	29%	0.289	67%	0.67	S	S	.	*	H	α-helix	trans	-77.5	-38.3	176.6	0	0	0	0	0	111.9	F74 W138 V139	F74-A141 HydrophobicContact CE2-CB 4.03Å; W138-A141 PolarHBondContact O-N 3.32Å; V139-A141 VanDerWaalsContact C-N 3.31Å; V139-A141 PolarHBondContact O-N 3.42Å
142	C	38.7	Very low	43.3	Very low	105 Å²	105	133.7 Å²	133.7	71%	0.709	66%	0.659	S	S	*	*	H	α-helix	trans	-77.2	-33.4	-169.5	-146.4	0	0	0	0	113.8	W138 V139	W138-C142 PolarHBondContact O-N 3.23Å; V139-C142 PolarHBondContact O-N 2.98Å
143	L	43.2	Very low	43.5	Very low	114 Å²	114	128.8 Å²	128.8	60%	0.597	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-14.7	-179.7	-85.1	159.2	0	0	0	114.4	V139 T145	V139-L143 HydrophobicContact CG1-CD1 3.62Å; V139-L143 PolarHBondContact O-N 3.2Å; L143-T145 PolarHBondContact O-N 3.11Å
144	S	45.2	Very low	43.7	Very low	38 Å²	38	121.1 Å²	121.1	27%	0.266	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73	-28	-174.6	133.4	0	0	0	0	113.3	F146	S144-F146 VanDerWaalsContact C-N 3.34Å; S144-F146 PolarHBondContact O-N 3.1Å
145	T	42.7	Very low	44	Very low	121 Å²	121	120.7 Å²	120.7	74%	0.742	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-20.1	-175.1	-47.2	0	0	0	0	113	L143	L143-T145 PolarHBondContact O-N 3.11Å
146	F	43.1	Very low	44.8	Very low	168 Å²	168	116.4 Å²	116.4	74%	0.737	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-21.2	-165.9	-150.8	-101.4	0	0	0	115.6	S144	S144-F146 VanDerWaalsContact C-N 3.34Å; S144-F146 PolarHBondContact O-N 3.1Å
147	F	39.9	Very low	45.7	Very low	135 Å²	135	107.7 Å²	107.7	59%	0.592	55%	0.548	S	S	*	.			trans	-122.3	64.9	-176.3	-67.6	-74.8	0	0	0	112.8	T149	F147-T149 PolarHBondContact O-N 3.46Å
148	Q	39.4	Very low	47.3	Very low	193 Å²	193	103.1 Å²	103.1	90%	0.902	53%	0.527	S	S	*	.			trans	-76.9	59.4	160	-165.4	147.7	91	0	0	110.1
149	T	39.6	Very low	49.5	Very low	77 Å²	77	94.1 Å²	94.1	47%	0.472	49%	0.493	S	S	.	.			trans	-79.3	128.7	166.7	51	0	0	0	0	108.1	F147 N151 S152	F147-T149 PolarHBondContact O-N 3.46Å; T149-N151 PolarHBondContact O-N 2.8Å; T149-S152 PolarHBondContact O-N 2.93Å; T149-S152 VanDerWaalsContact O-N 3.08Å; T149-S152 PolarHBondContact OG1-OG 2.8Å
150	K	46	Very low	51.8	Low	191 Å²	191	90.7 Å²	90.7	83%	0.83	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-13.7	-175	-69.8	-174.6	175.9	-178.5	0	115.7	R10	R10-K150 PolarHBondContact NH1-O 2.82Å
151	N	42.3	Very low	54.4	Low	124 Å²	124	80.9 Å²	80.9	66%	0.663	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-0.1	-173.5	-62.7	-24.5	0	0	0	115	T149	T149-N151 PolarHBondContact O-N 2.8Å
152	S	40.7	Very low	56.7	Low	57 Å²	57	79.2 Å²	79.2	40%	0.399	42%	0.42	S	S	.	.	S	Bend	trans	-80.9	139.3	177.7	-59.9	0	0	0	0	110.8	T149	T149-S152 PolarHBondContact O-N 2.93Å; T149-S152 VanDerWaalsContact O-N 3.08Å; T149-S152 PolarHBondContact OG1-OG 2.8Å
153	P	45.6	Very low	59.4	Low	61 Å²	61	77.3 Å²	77.3	40%	0.396	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-55.5	141.2	173.4	24.1	-32.7	0	0	0	109.3	L155	P153-L155 PolarHBondContact O-N 3.5Å; P153-L155 VanDerWaalsContact O-N 3.09Å
154	P	47.9	Very low	61.8	Low	50 Å²	50	75.1 Å²	75.1	33%	0.325	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-61.7	122	-176.4	28	-34.1	0	0	0	108.1	S121 F156	S121-P154 WeakPolarHBondContact CB-O 3.07Å; P154-F156 WeakPolarHBondContact CB-O 3.4Å; P154-F156 PolarHBondContact O-N 2.63Å
155	L	55	Low	64	Low	106 Å²	106	74.5 Å²	74.5	56%	0.555	38%	0.378	S	S	*	.	S	Bend	trans	-63.8	-18.2	174.7	-70.1	173.9	0	0	0	111.8	S121 P153	S121-L155 VanDerWaalsContact CB-C 3.42Å; S121-L155 VanDerWaalsContact CB-O 3.23Å; S121-L155 WeakPolarHBondContact CB-O 3.39Å; S121-L155 PolarHBondContact OG-O 3.41Å; P153-L155 PolarHBondContact O-N 3.5Å; P153-L155 VanDerWaalsContact O-N 3.09Å
156	F	63.3	Low	66.3	Low	70 Å²	70	75.7 Å²	75.7	31%	0.307	38%	0.375	S	S	.	.	S	Bend	trans	-115.4	146.7	-176.4	-54.2	-72.8	0	0	0	110.1	Q33 D78 P154	Q33-F156 VanDerWaalsContact NE2-CD1 3.29Å; Q33-F156 VanDerWaalsContact NE2-CG 3.35Å; D78-F156 WeakPolarHBondContact OD2-CD1 3.25Å; P154-F156 WeakPolarHBondContact CB-O 3.4Å; P154-F156 PolarHBondContact O-N 2.63Å
157	A	68.3	Low	68.5	Low	24 Å²	24	70 Å²	70	20%	0.198	36%	0.364	C	S	.	.			trans	-58.2	145.7	171.4	0	0	0	0	0	108.7	V119	V119-A157 CarbonylContact O-C 3.55Å; V119-A157 WeakPolarHBondContact O-CA 3.4Å
158	F	79.8	Confident	71	Confident	11 Å²	11	65.6 Å²	65.6	5%	0.048	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.8	-179	-177.6	-110.4	0	0	0	110.1	Q30 C35 V119 Y160 D173 K175	Q30-F158 VanDerWaalsContact OE1-CE2 3.27Å; C35-F158 HydrophobicContact CB-CD2 3.64Å; C35-F158 HydrophobicContact CB-CE2 3.54Å; V119-F158 PolarHBondContact N-O 2.92Å; V119-F158 PolarHBondContact O-N 3.23Å; F158-Y160 AromaticContact CD1-CD1 3.78Å; F158-Y160 HydrophobicContact CD1-CD1 3.78Å; F158-Y160 HydrophobicContact CD1-CE1 4.43Å; F158-Y160 AromaticContact CE1-CD1 3.45Å; F158-Y160 HydrophobicContact CE1-CD1 3.45Å; F158-Y160 VanDerWaalsContact CE1-CD1 3.45Å; F158-Y160 HydrophobicContact CE1-CE1 4.31Å; F158-Y160 AromaticContact CE1-CG 4Å; F158-Y160 HydrophobicContact CE1-CG 4Å; F158-Y160 HydrophobicContact CZ-CD1 4.46Å; F158-D173 HydrophobicContact CE1-CB 4.36Å; F158-D173 VanDerWaalsContact CE1-OD1 3.29Å; F158-D173 WeakPolarHBondContact CE1-OD1 3.45Å; F158-D173 VanDerWaalsContact CE1-OD2 3.31Å; F158-D173 WeakPolarHBondContact CE1-OD2 3.37Å; F158-D173 HydrophobicContact CZ-CB 4.48Å; F158-D173 WeakPolarHBondContact CZ-OD1 3.32Å; F158-K175 HydrophobicContact CD1-CD 4.42Å; F158-K175 HydrophobicContact CD2-CD 3.98Å; F158-K175 HydrophobicContact CE1-CD 4.1Å; F158-K175 HydrophobicContact CE2-CD 3.62Å; F158-K175 HydrophobicContact CE2-CG 3.73Å; F158-K175 HydrophobicContact CG-CD 4.37Å; F158-K175 HydrophobicContact CZ-CD 3.72Å; F158-K175 HydrophobicContact CZ-CG 3.82Å
159	Q	84.5	Confident	73.7	Confident	3 Å²	3	56.9 Å²	56.9	1%	0.014	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140	174.9	-49.5	105.9	15.6	0	0	111.5	A39 Y79 I84 I116 V117 N118	A39-Q159 HydrophobicContact CB-CB 4.43Å; Y79-Q159 PolarHBondContact O-NE2 3.4Å; Y79-Q159 VanDerWaalsContact O-NE2 3.15Å; I84-Q159 HydrophobicContact CD1-CB 4.01Å; I84-Q159 HydrophobicContact CD1-CG 3.81Å; I116-Q159 HydrophobicContact CG2-CB 4.4Å; V117-Q159 WeakPolarHBondContact O-CA 3.26Å; N118-Q159 HydrophobicContact CB-CG 4.22Å; N118-Q159 WeakPolarHBondContact OD1-CG 3.47Å
160	Y	93.6	Very high	76.3	Confident	15 Å²	15	54.3 Å²	54.3	6%	0.059	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.9	172.4	64.9	-83.1	0	0	0	111.8	I116 V117 V119 F158 I162 N171 D173 L195	I116-Y160 WeakPolarHBondContact CA-O 3.44Å; V117-Y160 HydrophobicContact CB-CD1 3.92Å; V117-Y160 HydrophobicContact CB-CD2 4.33Å; V117-Y160 HydrophobicContact CB-CE1 3.54Å; V117-Y160 HydrophobicContact CB-CE2 3.98Å; V117-Y160 HydrophobicContact CB-CG 4.32Å; V117-Y160 HydrophobicContact CG1-CD1 4.22Å; V117-Y160 HydrophobicContact CG1-CE1 3.47Å; V117-Y160 VanDerWaalsContact CG1-CE1 3.47Å; V117-Y160 HydrophobicContact CG2-CD2 4.4Å; V117-Y160 HydrophobicContact CG2-CE1 4.22Å; V117-Y160 HydrophobicContact CG2-CE2 3.79Å; V117-Y160 PolarHBondContact N-O 3.47Å; V117-Y160 PolarHBondContact O-N 3.32Å; V117-Y160 VanDerWaalsContact O-N 3.09Å; V119-Y160 HydrophobicContact CG2-CE1 4.21Å; F158-Y160 AromaticContact CD1-CD1 3.78Å; F158-Y160 HydrophobicContact CD1-CD1 3.78Å; F158-Y160 HydrophobicContact CD1-CE1 4.43Å; F158-Y160 AromaticContact CE1-CD1 3.45Å; F158-Y160 HydrophobicContact CE1-CD1 3.45Å; F158-Y160 VanDerWaalsContact CE1-CD1 3.45Å; F158-Y160 HydrophobicContact CE1-CE1 4.31Å; F158-Y160 AromaticContact CE1-CG 4Å; F158-Y160 HydrophobicContact CE1-CG 4Å; F158-Y160 HydrophobicContact CZ-CD1 4.46Å; Y160-I162 HydrophobicContact CD2-CG1 4.43Å; Y160-I162 HydrophobicContact CE2-CD1 4.29Å; Y160-I162 HydrophobicContact CE2-CG1 4.12Å; Y160-N171 VanDerWaalsContact CD2-OD1 3.25Å; Y160-N171 WeakPolarHBondContact CD2-OD1 3.15Å; Y160-N171 WeakPolarHBondContact CE2-OD1 3.39Å; Y160-D173 HydrophobicContact CD2-CB 4.07Å; Y160-D173 HydrophobicContact CG-CB 3.99Å; Y160-L195 WeakPolarHBondContact OH-CD1 3.25Å
161	A	96.4	Very high	78.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	150.9	-178.8	0	0	0	0	0	112.1	A39 L43 F115 L172	A39-A161 WeakPolarHBondContact O-CB 3.28Å; L43-A161 HydrophobicContact CB-CB 3.79Å; L43-A161 HydrophobicContact CD1-CB 4.24Å; F115-A161 CarbonylContact O-C 3.57Å; F115-A161 VanDerWaalsContact O-CA 3.26Å; F115-A161 WeakPolarHBondContact O-CA 3.22Å; A161-L172 HydrophobicContact CB-CB 4.41Å; A161-L172 WeakPolarHBondContact O-CA 3.21Å; A161-L172 WeakPolarHBondContact O-CB 3.27Å; A161-L172 PolarHBondContact O-N 3.05Å
162	I	95.7	Very high	81.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.6	163.5	-58.9	166.4	0	0	0	107.2	G114 F115 V117 Y160 Y169 Y170 I182 L188 F191 L192	G114-I162 CarbonylContact C-O 3.58Å; G114-I162 WeakPolarHBondContact CA-O 3.43Å; F115-I162 HydrophobicContact CB-CB 4.16Å; F115-I162 HydrophobicContact CD2-CB 4.32Å; F115-I162 HydrophobicContact CD2-CG2 4.37Å; F115-I162 PolarHBondContact N-O 3.29Å; F115-I162 PolarHBondContact O-N 3.22Å; V117-I162 HydrophobicContact CG2-CD1 3.82Å; V117-I162 HydrophobicContact CG2-CG1 4.43Å; Y160-I162 HydrophobicContact CD2-CG1 4.43Å; Y160-I162 HydrophobicContact CE2-CD1 4.29Å; Y160-I162 HydrophobicContact CE2-CG1 4.12Å; I162-Y169 HydrophobicContact CG2-CD1 4.44Å; I162-Y170 VanDerWaalsContact CA-O 3.29Å; I162-Y170 WeakPolarHBondContact CA-O 3.39Å; I162-Y170 WeakPolarHBondContact CG2-O 3.33Å; I162-I182 HydrophobicContact CD1-CD1 4.49Å; I162-I182 HydrophobicContact CG1-CD1 4.37Å; I162-I182 HydrophobicContact CG2-CD1 3.71Å; I162-L188 HydrophobicContact CG2-CD1 3.69Å; I162-F191 HydrophobicContact CD1-CD1 4.13Å; I162-F191 HydrophobicContact CD1-CE1 3.71Å; I162-L192 HydrophobicContact CD1-CD2 3.75Å
163	R	94.8	Very high	83.7	Confident	65 Å²	65	38.4 Å²	38.4	25%	0.245	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.8	-174.7	-179.9	59	174	147.8	0.2	110.6	I113 I165 Y169 Y170 L172	I113-R163 VanDerWaalsContact C-NH1 3.27Å; I113-R163 VanDerWaalsContact CA-NH1 3.34Å; I113-R163 WeakPolarHBondContact O-CD 3.42Å; I113-R163 PolarHBondContact O-NE 3.15Å; I113-R163 PolarHBondContact O-NH1 2.99Å; R163-I165 HydrophobicContact CB-CG1 4.45Å; R163-I165 HydrophobicContact CG-CD1 4.31Å; R163-I165 HydrophobicContact CG-CG1 3.81Å; R163-Y169 WeakPolarHBondContact O-CA 3.13Å; R163-Y170 PolarHBondContact N-O 3.04Å; R163-Y170 PolarHBondContact O-N 3.06Å; R163-L172 HydrophobicContact CB-CD1 3.75Å
164	E	93.3	Very high	85.8	Confident	69 Å²	69	35.7 Å²	35.7	32%	0.322	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.1	165.7	-166.2	177.6	173.5	0	0	110.2	G167 T168 Y169	E164-G167 WeakPolarHBondContact OE1-CA 3.39Å; E164-T168 CarbonylContact C-O 3.56Å; E164-T168 WeakPolarHBondContact CA-O 3.37Å; E164-Y169 HydrophobicContact CB-CD1 3.87Å; E164-Y169 HydrophobicContact CB-CE1 3.59Å; E164-Y169 HydrophobicContact CB-CE2 4.3Å; E164-Y169 HydrophobicContact CB-CG 4.36Å; E164-Y169 HydrophobicContact CG-CD1 4.46Å; E164-Y169 HydrophobicContact CG-CD2 4.3Å; E164-Y169 HydrophobicContact CG-CE1 4.19Å; E164-Y169 HydrophobicContact CG-CE2 3.97Å; E164-Y169 PolarHBondContact OE2-OH 3.26Å
165	I	93.1	Very high	87.8	Confident	25 Å²	25	37.4 Å²	37.4	13%	0.128	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	120.3	179.6	-53.1	166.6	0	0	0	106.8	V25 Q45 R163 G167 T168 Y170	V25-I165 HydrophobicContact CB-CD1 4.24Å; V25-I165 HydrophobicContact CG1-CD1 3.64Å; V25-I165 HydrophobicContact CG2-CB 4.37Å; V25-I165 HydrophobicContact CG2-CD1 3.7Å; V25-I165 HydrophobicContact CG2-CG2 4.11Å; Q45-I165 HydrophobicContact CG-CD1 3.9Å; Q45-I165 HydrophobicContact CG-CG1 4.33Å; Q45-I165 VanDerWaalsContact OE1-CD1 3.29Å; R163-I165 HydrophobicContact CB-CG1 4.45Å; R163-I165 HydrophobicContact CG-CD1 4.31Å; R163-I165 HydrophobicContact CG-CG1 3.81Å; I165-G167 PolarHBondContact O-N 3.46Å; I165-T168 PolarHBondContact N-O 3.49Å; I165-T168 PolarHBondContact O-N 2.73Å; I165-Y170 HydrophobicContact CB-CD2 4.11Å; I165-Y170 HydrophobicContact CB-CE2 4.03Å; I165-Y170 HydrophobicContact CD1-CD2 4Å; I165-Y170 HydrophobicContact CG1-CD2 4.26Å
166	E	90.4	Very high	89.4	Confident	146 Å²	146	34.7 Å²	34.7	68%	0.682	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	41.3	-178.9	-59.1	-174.8	174.4	0	0	113	R24 T168	R24-E166 IonicContact NH1-OE1 3.8Å; R24-E166 PolarHBondContact NH1-OE1 3.49Å; R24-E166 IonicContact NH1-OE2 3.81Å; R24-E166 PolarHBondContact NH1-OE2 3.08Å; E166-T168 VanDerWaalsContact C-N 3.33Å; E166-T168 PolarHBondContact O-N 3.06Å
167	G	89	Confident	90.5	Very high	48 Å²	48	35.3 Å²	35.3	50%	0.495	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	3.2	177.8	0	0	0	0	0	115.6	E164 I165	E164-G167 WeakPolarHBondContact OE1-CA 3.39Å; I165-G167 PolarHBondContact O-N 3.46Å
168	T	93.2	Very high	91.6	Very high	43 Å²	43	38.6 Å²	38.6	26%	0.264	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.4	179.2	-59	0	0	0	0	110.7	E164 I165 E166 Y170 V181	E164-T168 CarbonylContact C-O 3.56Å; E164-T168 WeakPolarHBondContact CA-O 3.37Å; I165-T168 PolarHBondContact N-O 3.49Å; I165-T168 PolarHBondContact O-N 2.73Å; E166-T168 VanDerWaalsContact C-N 3.33Å; E166-T168 PolarHBondContact O-N 3.06Å; T168-Y170 HydrophobicContact CG2-CD2 4.29Å; T168-Y170 HydrophobicContact CG2-CE2 3.67Å; T168-Y170 VanDerWaalsContact O-CD2 3.23Å; T168-Y170 WeakPolarHBondContact O-CD2 3.24Å; T168-Y170 WeakPolarHBondContact O-CE2 3.24Å; T168-V181 HydrophobicContact CG2-CG1 3.73Å
169	Y	94.4	Very high	92.3	Very high	9 Å²	9	38.7 Å²	38.7	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135	173.6	-71.1	-88.8	0	0	0	111.1	F112 I162 R163 E164 I182 G183 L188	F112-Y169 AromaticContact CE1-CE1 3.97Å; F112-Y169 HydrophobicContact CE1-CE1 3.97Å; F112-Y169 HydrophobicContact CZ-CE1 4.42Å; I162-Y169 HydrophobicContact CG2-CD1 4.44Å; R163-Y169 WeakPolarHBondContact O-CA 3.13Å; E164-Y169 HydrophobicContact CB-CD1 3.87Å; E164-Y169 HydrophobicContact CB-CE1 3.59Å; E164-Y169 HydrophobicContact CB-CE2 4.3Å; E164-Y169 HydrophobicContact CB-CG 4.36Å; E164-Y169 HydrophobicContact CG-CD1 4.46Å; E164-Y169 HydrophobicContact CG-CD2 4.3Å; E164-Y169 HydrophobicContact CG-CE1 4.19Å; E164-Y169 HydrophobicContact CG-CE2 3.97Å; E164-Y169 PolarHBondContact OE2-OH 3.26Å; Y169-I182 WeakPolarHBondContact O-CB 3.48Å; Y169-I182 PolarHBondContact O-N 3.32Å; Y169-G183 WeakPolarHBondContact CB-O 3.33Å; Y169-G183 PolarHBondContact N-O 3.43Å; Y169-G183 PolarHBondContact O-N 2.84Å; Y169-L188 HydrophobicContact CD1-CD1 3.84Å; Y169-L188 HydrophobicContact CD1-CD2 3.44Å; Y169-L188 VanDerWaalsContact CD1-CD2 3.44Å; Y169-L188 HydrophobicContact CD1-CG 4.11Å; Y169-L188 HydrophobicContact CD2-CB 4.12Å; Y169-L188 HydrophobicContact CD2-CD2 3.99Å; Y169-L188 HydrophobicContact CE1-CD1 4.48Å; Y169-L188 HydrophobicContact CE1-CD2 3.27Å; Y169-L188 HydrophobicContact CE1-CG 4.39Å; Y169-L188 HydrophobicContact CE2-CD2 3.88Å; Y169-L188 HydrophobicContact CG-CB 4.08Å; Y169-L188 HydrophobicContact CG-CD1 4.04Å; Y169-L188 HydrophobicContact CG-CD2 3.8Å; Y169-L188 HydrophobicContact CG-CG 4.19Å
170	Y	95.9	Very high	92.8	Very high	24 Å²	24	41.4 Å²	41.4	9%	0.094	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.9	178.8	-68	-95.3	0	0	0	111.4	V25 I162 R163 I165 T168 A179 Q180 V181	V25-Y170 HydrophobicContact CG2-CD1 4.5Å; V25-Y170 HydrophobicContact CG2-CD2 4.35Å; V25-Y170 HydrophobicContact CG2-CE1 4.13Å; V25-Y170 HydrophobicContact CG2-CE2 3.98Å; I162-Y170 VanDerWaalsContact CA-O 3.29Å; I162-Y170 WeakPolarHBondContact CA-O 3.39Å; I162-Y170 WeakPolarHBondContact CG2-O 3.33Å; R163-Y170 PolarHBondContact N-O 3.04Å; R163-Y170 PolarHBondContact O-N 3.06Å; I165-Y170 HydrophobicContact CB-CD2 4.11Å; I165-Y170 HydrophobicContact CB-CE2 4.03Å; I165-Y170 HydrophobicContact CD1-CD2 4Å; I165-Y170 HydrophobicContact CG1-CD2 4.26Å; T168-Y170 HydrophobicContact CG2-CD2 4.29Å; T168-Y170 HydrophobicContact CG2-CE2 3.67Å; T168-Y170 VanDerWaalsContact O-CD2 3.23Å; T168-Y170 WeakPolarHBondContact O-CD2 3.24Å; T168-Y170 WeakPolarHBondContact O-CE2 3.24Å; Y170-A179 HydrophobicContact CD1-CB 4.03Å; Y170-Q180 CarbonylContact C-O 3.52Å; Y170-Q180 VanDerWaalsContact CA-O 3.31Å; Y170-Q180 WeakPolarHBondContact CA-O 3.47Å; Y170-V181 HydrophobicContact CD1-CG2 4.05Å; Y170-V181 HydrophobicContact CE1-CB 4.41Å; Y170-V181 HydrophobicContact CE1-CG2 3.44Å; Y170-V181 VanDerWaalsContact CE1-CG2 3.44Å
171	N	95.3	Very high	92.8	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.064	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	114.1	159.4	177.6	11.2	0	0	0	108.2	Y160 D173 Q180 I182	Y160-N171 VanDerWaalsContact CD2-OD1 3.25Å; Y160-N171 WeakPolarHBondContact CD2-OD1 3.15Å; Y160-N171 WeakPolarHBondContact CE2-OD1 3.39Å; N171-D173 VanDerWaalsContact OD1-CB 3.31Å; N171-D173 WeakPolarHBondContact OD1-CB 3.19Å; N171-D173 PolarHBondContact OD1-N 3.5Å; N171-D173 VanDerWaalsContact OD1-N 3.12Å; N171-Q180 HydrophobicContact CB-CB 4.28Å; N171-Q180 PolarHBondContact N-O 2.81Å; N171-Q180 PolarHBondContact O-N 3Å; N171-I182 HydrophobicContact CB-CD1 4.01Å; N171-I182 HydrophobicContact CB-CG1 4.02Å
172	L	95.8	Very high	92.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	34.8	-178	-54.1	174.1	0	0	0	111.9	V25 N42 A161 R163 S174 A179	V25-L172 HydrophobicContact CG1-CD2 3.86Å; N42-L172 HydrophobicContact CB-CB 3.78Å; N42-L172 HydrophobicContact CB-CD1 4.03Å; N42-L172 PolarHBondContact ND2-O 3.42Å; N42-L172 WeakPolarHBondContact O-CD1 3.38Å; A161-L172 HydrophobicContact CB-CB 4.41Å; A161-L172 WeakPolarHBondContact O-CA 3.21Å; A161-L172 WeakPolarHBondContact O-CB 3.27Å; A161-L172 PolarHBondContact O-N 3.05Å; R163-L172 HydrophobicContact CB-CD1 3.75Å; L172-S174 PolarHBondContact O-N 3.44Å; L172-A179 HydrophobicContact CD2-CB 3.51Å
173	D	92.1	Very high	92.6	Very high	26 Å²	26	43.4 Å²	43.4	14%	0.139	24%	0.237	C	C	.	.			trans	-54.4	117.3	167.6	179.6	-18.7	0	0	0	110.1	H27 F158 Y160 N171 K175 L176	H27-D173 PolarHBondContact CE1-O 3.21Å; H27-D173 PolarHBondContact NE2-O 3.2Å; F158-D173 HydrophobicContact CE1-CB 4.36Å; F158-D173 VanDerWaalsContact CE1-OD1 3.29Å; F158-D173 WeakPolarHBondContact CE1-OD1 3.45Å; F158-D173 VanDerWaalsContact CE1-OD2 3.31Å; F158-D173 WeakPolarHBondContact CE1-OD2 3.37Å; F158-D173 HydrophobicContact CZ-CB 4.48Å; F158-D173 WeakPolarHBondContact CZ-OD1 3.32Å; Y160-D173 HydrophobicContact CD2-CB 4.07Å; Y160-D173 HydrophobicContact CG-CB 3.99Å; N171-D173 VanDerWaalsContact OD1-CB 3.31Å; N171-D173 WeakPolarHBondContact OD1-CB 3.19Å; N171-D173 PolarHBondContact OD1-N 3.5Å; N171-D173 VanDerWaalsContact OD1-N 3.12Å; D173-K175 PolarHBondContact O-N 3.41Å; D173-K175 WeakPolarHBondContact OD1-CA 3.34Å; D173-K175 WeakPolarHBondContact OD1-CB 3.39Å; D173-K175 PolarHBondContact OD1-N 3.36Å; D173-L176 HydrophobicContact CB-CD1 3.86Å; D173-L176 HydrophobicContact CB-CG 3.89Å; D173-L176 VanDerWaalsContact O-CB 3.29Å; D173-L176 WeakPolarHBondContact O-CB 3.48Å; D173-L176 PolarHBondContact O-N 2.92Å
174	S	90.9	Very high	92.5	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.021	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.2	-178.2	58.7	0	0	0	0	113.1	E28 K29 Q30 L172 L176	E28-S174 WeakPolarHBondContact O-CA 3.45Å; E28-S174 WeakPolarHBondContact O-CB 3.48Å; K29-S174 CarbonylContact C-O 3.56Å; K29-S174 VanDerWaalsContact CA-O 3.27Å; K29-S174 WeakPolarHBondContact CA-O 3.46Å; Q30-S174 PolarHBondContact N-O 3.38Å; L172-S174 PolarHBondContact O-N 3.44Å; S174-L176 VanDerWaalsContact C-N 3.29Å
175	K	88.5	Confident	92.3	Very high	87 Å²	87	43.8 Å²	43.8	38%	0.378	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-16.4	170.9	-62	170.2	172.1	162.1	0	112.5	Q30 F158 D173	Q30-K175 HydrophobicContact CB-CG 4.42Å; F158-K175 HydrophobicContact CD1-CD 4.42Å; F158-K175 HydrophobicContact CD2-CD 3.98Å; F158-K175 HydrophobicContact CE1-CD 4.1Å; F158-K175 HydrophobicContact CE2-CD 3.62Å; F158-K175 HydrophobicContact CE2-CG 3.73Å; F158-K175 HydrophobicContact CG-CD 4.37Å; F158-K175 HydrophobicContact CZ-CD 3.72Å; F158-K175 HydrophobicContact CZ-CG 3.82Å; D173-K175 PolarHBondContact O-N 3.41Å; D173-K175 WeakPolarHBondContact OD1-CA 3.34Å; D173-K175 WeakPolarHBondContact OD1-CB 3.39Å; D173-K175 PolarHBondContact OD1-N 3.36Å
176	L	89.1	Confident	92.2	Very high	48 Å²	48	50.4 Å²	50.4	25%	0.251	27%	0.274	S	S	.	.	S	Bend	trans	-72.2	152.4	173.1	-60.8	174.2	0	0	0	110.2	H27 D173 S174 N178 Q180	H27-L176 PolarHBondContact CE1-O 3.28Å; D173-L176 HydrophobicContact CB-CD1 3.86Å; D173-L176 HydrophobicContact CB-CG 3.89Å; D173-L176 VanDerWaalsContact O-CB 3.29Å; D173-L176 WeakPolarHBondContact O-CB 3.48Å; D173-L176 PolarHBondContact O-N 2.92Å; S174-L176 VanDerWaalsContact C-N 3.29Å; L176-N178 VanDerWaalsContact C-N 3.25Å; L176-N178 VanDerWaalsContact CB-O 3.27Å; L176-N178 WeakPolarHBondContact CB-O 3.28Å; L176-N178 PolarHBondContact O-N 3.05Å; L176-Q180 HydrophobicContact CD1-CB 3.76Å
177	S	87.5	Confident	92.3	Very high	83 Å²	83	48.1 Å²	48.1	58%	0.58	26%	0.263	S	S	*	.	S	Bend	trans	-68.8	-27.2	176.2	53.2	0	0	0	0	112.3	K29	K29-S177 WeakPolarHBondContact CE-O 3.22Å; K29-S177 PolarHBondContact NZ-O 2.94Å
178	N	91.1	Very high	92.5	Very high	94 Å²	94	45.9 Å²	45.9	50%	0.503	24%	0.24	S	C	.	.	S	Bend	trans	-151.4	168.9	176.6	-54.9	-65	0	0	0	108.9	L176 Q180	L176-N178 VanDerWaalsContact C-N 3.25Å; L176-N178 VanDerWaalsContact CB-O 3.27Å; L176-N178 WeakPolarHBondContact CB-O 3.28Å; L176-N178 PolarHBondContact O-N 3.05Å; N178-Q180 PolarHBondContact O-N 2.8Å
179	A	94.4	Very high	92.3	Very high	12 Å²	12	45.1 Å²	45.1	10%	0.099	24%	0.236	C	C	.	.			trans	-54.6	137.5	166.4	0	0	0	0	0	110.6	V25 H27 Y170 L172	V25-A179 HydrophobicContact CB-CB 4.34Å; V25-A179 HydrophobicContact CG1-CB 3.51Å; H27-A179 HydrophobicContact CB-CB 4.26Å; Y170-A179 HydrophobicContact CD1-CB 4.03Å; L172-A179 HydrophobicContact CD2-CB 3.51Å
180	Q	93.7	Very high	92.1	Very high	60 Å²	60	49.8 Å²	49.8	28%	0.28	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.8	-177.9	-179.4	-179.5	26.5	0	0	110.4	L14 Y170 N171 L176 N178 I182	L14-Q180 HydrophobicContact CB-CG 4.45Å; L14-Q180 VanDerWaalsContact CB-NE2 3.31Å; L14-Q180 HydrophobicContact CD1-CG 3.83Å; L14-Q180 VanDerWaalsContact CD1-NE2 3.26Å; Y170-Q180 CarbonylContact C-O 3.52Å; Y170-Q180 VanDerWaalsContact CA-O 3.31Å; Y170-Q180 WeakPolarHBondContact CA-O 3.47Å; N171-Q180 HydrophobicContact CB-CB 4.28Å; N171-Q180 PolarHBondContact N-O 2.81Å; N171-Q180 PolarHBondContact O-N 3Å; L176-Q180 HydrophobicContact CD1-CB 3.76Å; N178-Q180 PolarHBondContact O-N 2.8Å; Q180-I182 PolarHBondContact O-N 2.67Å
181	V	95.1	Very high	91.9	Very high	35 Å²	35	49.5 Å²	49.5	21%	0.212	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	126.2	175.8	177.5	0	0	0	0	109.6	T168 Y170	T168-V181 HydrophobicContact CG2-CG1 3.73Å; Y170-V181 HydrophobicContact CD1-CG2 4.05Å; Y170-V181 HydrophobicContact CE1-CB 4.41Å; Y170-V181 HydrophobicContact CE1-CG2 3.44Å; Y170-V181 VanDerWaalsContact CE1-CG2 3.44Å
182	I	94.7	Very high	91.7	Very high	9 Å²	9	49 Å²	49	5%	0.046	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-43.1	164.9	-59.9	169.8	0	0	0	108.9	I162 Y169 N171 Q180 Q187 L188 F191	I162-I182 HydrophobicContact CD1-CD1 4.49Å; I162-I182 HydrophobicContact CG1-CD1 4.37Å; I162-I182 HydrophobicContact CG2-CD1 3.71Å; Y169-I182 WeakPolarHBondContact O-CB 3.48Å; Y169-I182 PolarHBondContact O-N 3.32Å; N171-I182 HydrophobicContact CB-CD1 4.01Å; N171-I182 HydrophobicContact CB-CG1 4.02Å; Q180-I182 PolarHBondContact O-N 2.67Å; I182-Q187 HydrophobicContact CG2-CB 4.3Å; I182-Q187 VanDerWaalsContact O-CB 3.25Å; I182-Q187 WeakPolarHBondContact O-CB 3.37Å; I182-L188 HydrophobicContact CD1-CD1 4.32Å; I182-F191 HydrophobicContact CD1-CD1 3.98Å; I182-F191 HydrophobicContact CD1-CE1 4.11Å; I182-F191 HydrophobicContact CD1-CG 4.21Å; I182-F191 HydrophobicContact CD1-CZ 4.42Å; I182-F191 HydrophobicContact CG1-CD2 4.38Å; I182-F191 HydrophobicContact CG1-CG 4.45Å; I182-F191 HydrophobicContact CG2-CB 3.78Å; I182-F191 HydrophobicContact CG2-CD2 4.34Å; I182-F191 HydrophobicContact CG2-CG 4.05Å
183	G	93.4	Very high	91.3	Very high	14 Å²	14	51.4 Å²	51.4	14%	0.144	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.5	-145.7	179	0	0	0	0	0	112.3	Y169	Y169-G183 WeakPolarHBondContact CB-O 3.33Å; Y169-G183 PolarHBondContact N-O 3.43Å; Y169-G183 PolarHBondContact O-N 2.84Å
184	G	91.6	Very high	91.1	Very high	26 Å²	26	51.4 Å²	51.4	27%	0.268	27%	0.271	S	S	.	.	S	Bend	trans	-83.6	-169.6	178.1	0	0	0	0	0	113.4	Q186 Q187 L188	G184-Q186 PolarHBondContact O-N 2.86Å; G184-Q187 VanDerWaalsContact CA-OE1 3.3Å; G184-Q187 PolarHBondContact O-N 3.49Å; G184-Q187 PolarHBondContact O-OE1 3.29Å; G184-L188 PolarHBondContact O-N 2.87Å
185	R	89.5	Confident	90.8	Very high	116 Å²	116	51.5 Å²	51.5	44%	0.438	27%	0.271	S	S	.	.	H	α-helix	trans	-56.7	-43.8	-177.1	-178.4	175.4	175	144.3	5.6	113.6	D105 L108 L188 V189	D105-R185 PolarHBondContact O-NH2 3.48Å; D105-R185 IonicContact OD1-CZ 3.22Å; D105-R185 IonicContact OD1-NE 3.04Å; D105-R185 PolarHBondContact OD1-NE 2.92Å; D105-R185 IonicContact OD1-NH2 2.93Å; D105-R185 PolarHBondContact OD1-NH2 3.31Å; L108-R185 HydrophobicContact CD1-CG 3.84Å; R185-L188 WeakPolarHBondContact O-CB 3.4Å; R185-L188 PolarHBondContact O-N 3.25Å; R185-V189 WeakPolarHBondContact O-CG2 3.38Å; R185-V189 PolarHBondContact O-N 3.48Å
186	Q	91	Very high	90.8	Very high	164 Å²	164	48.3 Å²	48.3	77%	0.766	26%	0.258	S	S	*	.	H	α-helix	trans	-65.1	-42.3	-179.4	-70.3	179.7	-13.4	0	0	111.6	G184 L188 V189 Q190	G184-Q186 PolarHBondContact O-N 2.86Å; Q186-L188 VanDerWaalsContact C-N 3.34Å; Q186-V189 PolarHBondContact O-N 2.94Å; Q186-Q190 PolarHBondContact O-N 2.95Å
187	Q	93.1	Very high	90.5	Very high	97 Å²	97	51.5 Å²	51.5	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-65.4	-39.4	176.4	-64	83.7	-5.1	0	0	111.4	I182 G184 Q190 F191	I182-Q187 HydrophobicContact CG2-CB 4.3Å; I182-Q187 VanDerWaalsContact O-CB 3.25Å; I182-Q187 WeakPolarHBondContact O-CB 3.37Å; G184-Q187 VanDerWaalsContact CA-OE1 3.3Å; G184-Q187 PolarHBondContact O-N 3.49Å; G184-Q187 PolarHBondContact O-OE1 3.29Å; Q187-Q190 PolarHBondContact O-N 2.71Å; Q187-F191 VanDerWaalsContact O-CB 3.28Å; Q187-F191 WeakPolarHBondContact O-CB 3.48Å; Q187-F191 PolarHBondContact O-N 2.83Å
188	L	91.9	Very high	90.3	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-48.2	173.3	176.9	73.3	0	0	0	112	F115 I162 Y169 I182 G184 R185 Q186 Q190 F191 L192	F115-L188 HydrophobicContact CE2-CD2 4.11Å; I162-L188 HydrophobicContact CG2-CD1 3.69Å; Y169-L188 HydrophobicContact CD1-CD1 3.84Å; Y169-L188 HydrophobicContact CD1-CD2 3.44Å; Y169-L188 VanDerWaalsContact CD1-CD2 3.44Å; Y169-L188 HydrophobicContact CD1-CG 4.11Å; Y169-L188 HydrophobicContact CD2-CB 4.12Å; Y169-L188 HydrophobicContact CD2-CD2 3.99Å; Y169-L188 HydrophobicContact CE1-CD1 4.48Å; Y169-L188 HydrophobicContact CE1-CD2 3.27Å; Y169-L188 HydrophobicContact CE1-CG 4.39Å; Y169-L188 HydrophobicContact CE2-CD2 3.88Å; Y169-L188 HydrophobicContact CG-CB 4.08Å; Y169-L188 HydrophobicContact CG-CD1 4.04Å; Y169-L188 HydrophobicContact CG-CD2 3.8Å; Y169-L188 HydrophobicContact CG-CG 4.19Å; I182-L188 HydrophobicContact CD1-CD1 4.32Å; G184-L188 PolarHBondContact O-N 2.87Å; R185-L188 WeakPolarHBondContact O-CB 3.4Å; R185-L188 PolarHBondContact O-N 3.25Å; Q186-L188 VanDerWaalsContact C-N 3.34Å; L188-Q190 VanDerWaalsContact C-N 3.28Å; L188-Q190 PolarHBondContact O-N 3.26Å; L188-F191 PolarHBondContact O-N 3.2Å; L188-L192 HydrophobicContact CD1-CD1 4.1Å; L188-L192 HydrophobicContact CD1-CG 4.1Å; L188-L192 HydrophobicContact CD2-CD1 4.49Å; L188-L192 HydrophobicContact CG-CD1 3.97Å; L188-L192 HydrophobicContact CG-CG 4.29Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 2.91Å
189	V	90	Very high	89.7	Confident	27 Å²	27	54.9 Å²	54.9	16%	0.164	27%	0.269	C	S	.	.	H	α-helix	trans	-57.8	-44.2	178.9	162.9	0	0	0	0	110.7	V104 R185 Q186 S193	V104-V189 HydrophobicContact CG2-CB 4.04Å; V104-V189 HydrophobicContact CG2-CG1 3.63Å; V104-V189 HydrophobicContact CG2-CG2 3.93Å; R185-V189 WeakPolarHBondContact O-CG2 3.38Å; R185-V189 PolarHBondContact O-N 3.48Å; Q186-V189 PolarHBondContact O-N 2.94Å; V189-S193 WeakPolarHBondContact O-CB 3.44Å; V189-S193 PolarHBondContact O-N 2.94Å; V189-S193 PolarHBondContact O-OG 3.4Å
190	Q	90.2	Very high	89.2	Confident	106 Å²	106	58.3 Å²	58.3	50%	0.495	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-48.6	175.9	-174.3	57.4	49.9	0	0	111.5	Q186 Q187 L188 L192 S193 D194	Q186-Q190 PolarHBondContact O-N 2.95Å; Q187-Q190 PolarHBondContact O-N 2.71Å; L188-Q190 VanDerWaalsContact C-N 3.28Å; L188-Q190 PolarHBondContact O-N 3.26Å; Q190-L192 PolarHBondContact O-N 3.11Å; Q190-S193 WeakPolarHBondContact O-CB 3.35Å; Q190-S193 PolarHBondContact O-N 2.85Å; Q190-S193 VanDerWaalsContact O-N 3.16Å; Q190-D194 VanDerWaalsContact NE2-CG 3.31Å; Q190-D194 PolarHBondContact NE2-OD1 3.03Å; Q190-D194 PolarHBondContact NE2-OD2 2.81Å; Q190-D194 PolarHBondContact O-N 3.49Å
191	F	90.9	Very high	88.8	Confident	19 Å²	19	55.7 Å²	55.7	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-56.9	-46.9	178.8	-179	-87.4	0	0	0	112.3	L14 I162 I182 Q187 L188 D194 L195	L14-F191 HydrophobicContact CD1-CD2 4.47Å; L14-F191 HydrophobicContact CD1-CE2 4.17Å; I162-F191 HydrophobicContact CD1-CD1 4.13Å; I162-F191 HydrophobicContact CD1-CE1 3.71Å; I182-F191 HydrophobicContact CD1-CD1 3.98Å; I182-F191 HydrophobicContact CD1-CE1 4.11Å; I182-F191 HydrophobicContact CD1-CG 4.21Å; I182-F191 HydrophobicContact CD1-CZ 4.42Å; I182-F191 HydrophobicContact CG1-CD2 4.38Å; I182-F191 HydrophobicContact CG1-CG 4.45Å; I182-F191 HydrophobicContact CG2-CB 3.78Å; I182-F191 HydrophobicContact CG2-CD2 4.34Å; I182-F191 HydrophobicContact CG2-CG 4.05Å; Q187-F191 VanDerWaalsContact O-CB 3.28Å; Q187-F191 WeakPolarHBondContact O-CB 3.48Å; Q187-F191 PolarHBondContact O-N 2.83Å; L188-F191 PolarHBondContact O-N 3.2Å; F191-D194 PolarHBondContact O-N 3.3Å; F191-L195 WeakPolarHBondContact O-CB 3.47Å; F191-L195 PolarHBondContact O-N 3.31Å
192	L	90.5	Very high	88.6	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-66.7	-38.3	177.8	-67.8	178.1	0	0	0	111.9	V104 F115 I162 L188 Q190 D194 L195 L196 L203	V104-L192 HydrophobicContact CB-CD1 4.38Å; V104-L192 HydrophobicContact CG1-CB 4.06Å; V104-L192 HydrophobicContact CG1-CD1 4.26Å; F115-L192 HydrophobicContact CD2-CD1 4.34Å; F115-L192 HydrophobicContact CE1-CD1 4.22Å; F115-L192 HydrophobicContact CE2-CD1 3.86Å; F115-L192 HydrophobicContact CZ-CD1 3.8Å; I162-L192 HydrophobicContact CD1-CD2 3.75Å; L188-L192 HydrophobicContact CD1-CD1 4.1Å; L188-L192 HydrophobicContact CD1-CG 4.1Å; L188-L192 HydrophobicContact CD2-CD1 4.49Å; L188-L192 HydrophobicContact CG-CD1 3.97Å; L188-L192 HydrophobicContact CG-CG 4.29Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 2.91Å; Q190-L192 PolarHBondContact O-N 3.11Å; L192-D194 VanDerWaalsContact C-N 3.33Å; L192-D194 PolarHBondContact O-N 3.07Å; L192-L195 HydrophobicContact CD2-CD2 4.41Å; L192-L195 WeakPolarHBondContact O-CB 3.31Å; L192-L195 PolarHBondContact O-N 3.49Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.48Å; L192-L203 HydrophobicContact CD1-CD2 4.33Å; L192-L203 HydrophobicContact CD2-CD1 3.9Å; L192-L203 HydrophobicContact CD2-CD2 4.02Å
193	S	87.7	Confident	88.4	Confident	50 Å²	50	56.1 Å²	56.1	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-44.1	176.6	-62.4	0	0	0	0	111.1	V189 Q190 L196 Q197	V189-S193 WeakPolarHBondContact O-CB 3.44Å; V189-S193 PolarHBondContact O-N 2.94Å; V189-S193 PolarHBondContact O-OG 3.4Å; Q190-S193 WeakPolarHBondContact O-CB 3.35Å; Q190-S193 PolarHBondContact O-N 2.85Å; Q190-S193 VanDerWaalsContact O-N 3.16Å; S193-L196 PolarHBondContact O-N 3.05Å; S193-Q197 WeakPolarHBondContact O-CG 3.4Å; S193-Q197 PolarHBondContact O-N 3.26Å
194	D	87.6	Confident	88.3	Confident	25 Å²	25	55.7 Å²	55.7	13%	0.134	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-41	177.7	-69.4	-31.2	0	0	0	112.4	L12 Q190 F191 L192 L196 Q197	L12-D194 HydrophobicContact CD2-CB 3.86Å; L12-D194 WeakPolarHBondContact CD2-OD2 3.44Å; Q190-D194 VanDerWaalsContact NE2-CG 3.31Å; Q190-D194 PolarHBondContact NE2-OD1 3.03Å; Q190-D194 PolarHBondContact NE2-OD2 2.81Å; Q190-D194 PolarHBondContact O-N 3.49Å; F191-D194 PolarHBondContact O-N 3.3Å; L192-D194 VanDerWaalsContact C-N 3.33Å; L192-D194 PolarHBondContact O-N 3.07Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-L196 PolarHBondContact O-N 2.92Å; D194-Q197 WeakPolarHBondContact O-CB 3.43Å; D194-Q197 WeakPolarHBondContact O-CG 3.45Å; D194-Q197 PolarHBondContact O-N 2.95Å; D194-Q197 PolarHBondContact OD1-NE2 3.06Å
195	L	86.4	Confident	88.4	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-57.4	-46.3	173.3	-174.9	82.7	0	0	0	111.8	V117 Y160 F191 L192 Q197 S198 V201	V117-L195 HydrophobicContact CB-CD2 4.34Å; V117-L195 HydrophobicContact CG1-CD1 4.26Å; V117-L195 HydrophobicContact CG1-CD2 3.71Å; V117-L195 HydrophobicContact CG1-CG 4.43Å; V117-L195 HydrophobicContact CG2-CD2 3.63Å; Y160-L195 WeakPolarHBondContact OH-CD1 3.25Å; F191-L195 WeakPolarHBondContact O-CB 3.47Å; F191-L195 PolarHBondContact O-N 3.31Å; L192-L195 HydrophobicContact CD2-CD2 4.41Å; L192-L195 WeakPolarHBondContact O-CB 3.31Å; L192-L195 PolarHBondContact O-N 3.49Å; L195-Q197 PolarHBondContact O-N 3.48Å; L195-S198 PolarHBondContact O-N 3.39Å; L195-V201 HydrophobicContact CD1-CG1 4.36Å; L195-V201 HydrophobicContact CD2-CG1 3.89Å; L195-V201 HydrophobicContact CG-CG1 3.84Å
196	L	86.8	Confident	88.6	Confident	21 Å²	21	49.2 Å²	49.2	11%	0.11	24%	0.236	C	C	.	.	H	α-helix	trans	-75.1	-8.8	-176.1	-70.8	172.5	0	0	0	113.9	F98 R100 V104 L192 S193 D194 S198 L203	F98-L196 HydrophobicContact CD1-CD1 3.8Å; F98-L196 HydrophobicContact CE1-CD1 3.56Å; R100-L196 HydrophobicContact CG-CD2 4.47Å; R100-L196 VanDerWaalsContact CZ-O 3.31Å; R100-L196 PolarHBondContact NH1-O 3.3Å; R100-L196 PolarHBondContact NH2-O 2.7Å; R100-L196 VanDerWaalsContact NH2-O 3.17Å; V104-L196 HydrophobicContact CG1-CD1 4.18Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.48Å; S193-L196 PolarHBondContact O-N 3.05Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-L196 PolarHBondContact O-N 2.92Å; L196-S198 PolarHBondContact O-N 3.31Å; L196-L203 HydrophobicContact CD1-CD2 4.17Å; L196-L203 HydrophobicContact CD2-CB 4.01Å
197	Q	84.5	Confident	88.6	Confident	114 Å²	114	41.7 Å²	41.7	53%	0.533	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31	169.4	-64.5	-173.5	26.1	0	0	111.8	S193 D194 L195 R199	S193-Q197 WeakPolarHBondContact O-CG 3.4Å; S193-Q197 PolarHBondContact O-N 3.26Å; D194-Q197 WeakPolarHBondContact O-CB 3.43Å; D194-Q197 WeakPolarHBondContact O-CG 3.45Å; D194-Q197 PolarHBondContact O-N 2.95Å; D194-Q197 PolarHBondContact OD1-NE2 3.06Å; L195-Q197 PolarHBondContact O-N 3.48Å; Q197-R199 PolarHBondContact O-N 2.91Å
198	S	82.5	Confident	88.5	Confident	26 Å²	26	43.4 Å²	43.4	18%	0.182	20%	0.203	C	C	.	.	S	Bend	trans	-77.2	116.8	171.7	-179.7	0	0	0	0	109.7	R100 L195 L196 D200 V201	R100-S198 PolarHBondContact NH2-O 3.46Å; L195-S198 PolarHBondContact O-N 3.39Å; L196-S198 PolarHBondContact O-N 3.31Å; S198-D200 PolarHBondContact O-N 3.47Å; S198-V201 PolarHBondContact O-N 3.3Å
199	R	79.2	Confident	88	Confident	223 Å²	223	47.6 Å²	47.6	84%	0.842	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26	-176	-68.7	-170.6	178.8	-160.1	0.1	114.3	Q197 V201	Q197-R199 PolarHBondContact O-N 2.91Å; R199-V201 VanDerWaalsContact C-N 3.32Å
200	D	82.6	Confident	87.4	Confident	83 Å²	83	52.3 Å²	52.3	44%	0.444	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-21.6	-176.7	-60	-31.9	0	0	0	111.9	P120 S198 Q202	P120-D200 WeakPolarHBondContact CD-O 3.33Å; P120-D200 HydrophobicContact CG-CB 3.88Å; P120-D200 WeakPolarHBondContact CG-O 3.47Å; S198-D200 PolarHBondContact O-N 3.47Å; D200-Q202 PolarHBondContact O-N 3.19Å
201	V	86.1	Confident	86.5	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.036	23%	0.226	C	C	.	.			trans	-72.9	126.7	-179.1	-179.2	0	0	0	0	110.6	R100 V117 V119 L195 S198 R199	R100-V201 PolarHBondContact NH2-O 3Å; V117-V201 HydrophobicContact CG1-CG1 3.63Å; V119-V201 HydrophobicContact CG1-CG2 4.32Å; V119-V201 HydrophobicContact CG2-CG1 4.41Å; V119-V201 HydrophobicContact CG2-CG2 4.2Å; L195-V201 HydrophobicContact CD1-CG1 4.36Å; L195-V201 HydrophobicContact CD2-CG1 3.89Å; L195-V201 HydrophobicContact CG-CG1 3.84Å; S198-V201 PolarHBondContact O-N 3.3Å; R199-V201 VanDerWaalsContact C-N 3.32Å
202	Q	89.8	Confident	85.2	Confident	51 Å²	51	47.3 Å²	47.3	24%	0.238	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.3	172.6	-60.7	170.9	-8.5	0	0	109.1	W97 N118 D200 F204	W97-Q202 HydrophobicContact CH2-CG 3.97Å; W97-Q202 HydrophobicContact CZ2-CB 4.37Å; W97-Q202 HydrophobicContact CZ2-CG 3.76Å; N118-Q202 HydrophobicContact CB-CB 4.21Å; N118-Q202 PolarHBondContact N-O 3.29Å; N118-Q202 PolarHBondContact ND2-OE1 3.2Å; N118-Q202 PolarHBondContact O-N 3.48Å; D200-Q202 PolarHBondContact O-N 3.19Å; Q202-F204 HydrophobicContact CB-CE2 3.82Å; Q202-F204 HydrophobicContact CB-CZ 4.35Å
203	L	91.2	Very high	84	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.5	177.3	-177.6	71.5	0	0	0	108.2	F98 F115 V117 L192 L196	F98-L203 HydrophobicContact CB-CB 3.98Å; F98-L203 HydrophobicContact CB-CD2 4.06Å; F98-L203 HydrophobicContact CB-CG 4.1Å; F98-L203 WeakPolarHBondContact CB-O 3.26Å; F98-L203 HydrophobicContact CD1-CD2 3.95Å; F98-L203 HydrophobicContact CG-CD2 3.93Å; F98-L203 PolarHBondContact N-O 3.43Å; F115-L203 HydrophobicContact CB-CD1 3.74Å; F115-L203 HydrophobicContact CD1-CD1 3.76Å; F115-L203 HydrophobicContact CD1-CD2 3.98Å; F115-L203 HydrophobicContact CD1-CG 3.85Å; F115-L203 HydrophobicContact CE1-CD2 4.13Å; F115-L203 HydrophobicContact CE1-CG 4.46Å; F115-L203 HydrophobicContact CG-CD1 3.99Å; V117-L203 HydrophobicContact CG2-CD1 3.78Å; L192-L203 HydrophobicContact CD1-CD2 4.33Å; L192-L203 HydrophobicContact CD2-CD1 3.9Å; L192-L203 HydrophobicContact CD2-CD2 4.02Å; L196-L203 HydrophobicContact CD1-CD2 4.17Å; L196-L203 HydrophobicContact CD2-CB 4.01Å
204	F	92.1	Very high	82.8	Confident	4 Å²	4	52 Å²	52	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.4	174.7	-64.1	-88.4	0	0	0	108.9	I81 A95 L96 W97 F115 I116 N118 Q202 I206	I81-F204 HydrophobicContact CD1-CD2 3.87Å; I81-F204 HydrophobicContact CD1-CE2 3.68Å; I81-F204 HydrophobicContact CD1-CG 4.46Å; I81-F204 HydrophobicContact CD1-CZ 4.11Å; I81-F204 HydrophobicContact CG1-CD2 4.39Å; I81-F204 HydrophobicContact CG1-CE1 4.29Å; I81-F204 HydrophobicContact CG1-CE2 3.77Å; I81-F204 HydrophobicContact CG1-CZ 3.72Å; A95-F204 HydrophobicContact CB-CB 4.24Å; A95-F204 HydrophobicContact CB-CD1 4.23Å; L96-F204 CarbonylContact O-C 3.54Å; L96-F204 WeakPolarHBondContact O-CA 3.47Å; W97-F204 HydrophobicContact CB-CD1 4.47Å; W97-F204 HydrophobicContact CB-CE1 4.3Å; W97-F204 HydrophobicContact CD2-CE1 4.04Å; W97-F204 HydrophobicContact CD2-CZ 4.25Å; W97-F204 AromaticContact CE3-CE1 3.65Å; W97-F204 HydrophobicContact CE3-CE1 3.65Å; W97-F204 AromaticContact CE3-CZ 3.79Å; W97-F204 HydrophobicContact CE3-CZ 3.79Å; W97-F204 HydrophobicContact CG-CE1 4.35Å; W97-F204 HydrophobicContact CZ3-CE1 4.34Å; W97-F204 HydrophobicContact CZ3-CZ 4.05Å; F115-F204 CarbonylContact C-O 3.53Å; F115-F204 WeakPolarHBondContact CA-O 3.27Å; I116-F204 HydrophobicContact CB-CB 4.4Å; I116-F204 PolarHBondContact N-O 3.13Å; I116-F204 PolarHBondContact O-N 3.45Å; N118-F204 HydrophobicContact CB-CD2 4.48Å; N118-F204 HydrophobicContact CB-CE2 4.04Å; Q202-F204 HydrophobicContact CB-CE2 3.82Å; Q202-F204 HydrophobicContact CB-CZ 4.35Å; F204-I206 HydrophobicContact CB-CD1 4.15Å
205	T	92.1	Very high	81.6	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.043	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.9	170.3	-50.9	0	0	0	0	108.4	L96 V107 F112 F115 V207	L96-T205 PolarHBondContact N-O 3.27Å; L96-T205 PolarHBondContact O-N 3.46Å; V107-T205 HydrophobicContact CG1-CG2 3.15Å; V107-T205 WeakPolarHBondContact CG1-OG1 3.41Å; F112-T205 HydrophobicContact CD2-CG2 3.77Å; F112-T205 HydrophobicContact CE2-CG2 3.94Å; F115-T205 HydrophobicContact CE1-CG2 4.32Å; T205-V207 HydrophobicContact CG2-CG1 3.92Å
206	I	93.6	Very high	80.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.1	177.3	-46.8	-46.3	0	0	0	108.5	L43 L88 C93 S94 A95 I113 G114 I116 F204	L43-I206 HydrophobicContact CD2-CB 4.21Å; L43-I206 HydrophobicContact CD2-CG1 3.84Å; L43-I206 HydrophobicContact CD2-CG2 4.07Å; L88-I206 HydrophobicContact CD1-CD1 3.6Å; L88-I206 HydrophobicContact CD1-CG1 4.34Å; L88-I206 HydrophobicContact CD1-CG2 4.24Å; L88-I206 HydrophobicContact CD2-CG2 3.71Å; C93-I206 HydrophobicContact CB-CG2 3.99Å; S94-I206 WeakPolarHBondContact O-CA 3.44Å; A95-I206 HydrophobicContact CB-CD1 3.62Å; I113-I206 HydrophobicContact CB-CB 4.31Å; I113-I206 HydrophobicContact CB-CG2 4.14Å; I113-I206 PolarHBondContact N-O 3.2Å; G114-I206 PolarHBondContact N-O 3.14Å; G114-I206 PolarHBondContact O-N 3.35Å; I116-I206 HydrophobicContact CB-CD1 4.34Å; I116-I206 HydrophobicContact CD1-CD1 4.12Å; I116-I206 HydrophobicContact CD1-CG1 4.24Å; I116-I206 HydrophobicContact CG1-CD1 4.09Å; I116-I206 HydrophobicContact CG1-CG1 3.97Å; F204-I206 HydrophobicContact CB-CD1 4.15Å
207	V	91.3	Very high	78.9	Confident	6 Å²	6	63.4 Å²	63.4	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	160.7	179.9	-61.6	0	0	0	0	110	C93 S94 L96 D111 T205 A212	C93-V207 CarbonylContact C-O 3.47Å; C93-V207 VanDerWaalsContact CA-O 3.25Å; C93-V207 WeakPolarHBondContact CA-O 3.5Å; S94-V207 PolarHBondContact N-O 2.84Å; S94-V207 PolarHBondContact O-N 3.46Å; L96-V207 HydrophobicContact CD1-CG1 4.48Å; L96-V207 HydrophobicContact CD1-CG2 3.75Å; L96-V207 HydrophobicContact CG-CG2 4.08Å; D111-V207 CarbonylContact O-C 3.58Å; D111-V207 VanDerWaalsContact O-CA 3.26Å; D111-V207 WeakPolarHBondContact O-CA 3.48Å; T205-V207 HydrophobicContact CG2-CG1 3.92Å; V207-A212 HydrophobicContact CG2-CB 3.85Å
208	R	91.4	Very high	77.6	Confident	132 Å²	132	68.1 Å²	68.1	50%	0.498	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	144.1	167	-62.6	-170.9	177.3	117.4	-2.5	110.4	D111 I113 D210 S211 A212	D111-R208 HydrophobicContact CB-CB 4.16Å; D111-R208 HydrophobicContact CB-CG 4.47Å; D111-R208 PolarHBondContact O-N 2.83Å; D111-R208 IonicContact OD1-NH1 3.71Å; I113-R208 HydrophobicContact CD1-CG 4.16Å; I113-R208 HydrophobicContact CG1-CG 4.41Å; R208-D210 VanDerWaalsContact C-N 3.34Å; R208-D210 PolarHBondContact O-N 3.35Å; R208-S211 PolarHBondContact O-N 2.75Å; R208-S211 VanDerWaalsContact O-N 3.14Å; R208-A212 PolarHBondContact O-N 3.21Å
209	R	82.5	Confident	76.2	Confident	90 Å²	90	72.2 Å²	72.2	34%	0.34	32%	0.322	S	S	.	.	H	α-helix	trans	-58.7	-42.6	-171.4	-176.7	178.5	-122.4	137.7	-8	112.9	L89 G92 S211 A212 D213	L89-R209 PolarHBondContact O-NH1 2.67Å; G92-R209 VanDerWaalsContact O-CB 3.32Å; G92-R209 WeakPolarHBondContact O-CB 3.42Å; G92-R209 PolarHBondContact O-N 3.21Å; R209-S211 PolarHBondContact O-N 2.88Å; R209-A212 WeakPolarHBondContact O-CB 3.41Å; R209-A212 PolarHBondContact O-N 3.35Å; R209-D213 PolarHBondContact O-N 3.41Å
210	D	77.4	Confident	74.3	Confident	126 Å²	126	65.6 Å²	65.6	67%	0.674	31%	0.311	S	S	*	.	H	α-helix	trans	-54.8	-27.8	-179	-55.8	-18.5	0	0	0	112.3	R208 N214	R208-D210 VanDerWaalsContact C-N 3.34Å; R208-D210 PolarHBondContact O-N 3.35Å; D210-N214 PolarHBondContact O-ND2 2.88Å; D210-N214 VanDerWaalsContact O-ND2 3.17Å
211	S	69.9	Low	72.2	Confident	20 Å²	20	66.8 Å²	66.8	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-91	-29.4	179.5	-44.9	0	0	0	0	112.5	D111 R208 R209 N214 V215	D111-S211 WeakPolarHBondContact CB-OG 2.99Å; D111-S211 PolarHBondContact OD2-OG 3.4Å; R208-S211 PolarHBondContact O-N 2.75Å; R208-S211 VanDerWaalsContact O-N 3.14Å; R209-S211 PolarHBondContact O-N 2.88Å; S211-N214 PolarHBondContact O-N 3.32Å; S211-V215 WeakPolarHBondContact O-CG2 3.33Å; S211-V215 PolarHBondContact O-N 2.73Å; S211-V215 VanDerWaalsContact O-N 3.12Å
212	A	63	Low	70.2	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-42.6	176.2	0	0	0	0	0	112.1	L96 V207 R208 R209 N214 V215 N216	L96-A212 HydrophobicContact CD2-CB 4.18Å; V207-A212 HydrophobicContact CG2-CB 3.85Å; R208-A212 PolarHBondContact O-N 3.21Å; R209-A212 WeakPolarHBondContact O-CB 3.41Å; R209-A212 PolarHBondContact O-N 3.35Å; A212-N214 PolarHBondContact O-N 3.22Å; A212-V215 PolarHBondContact O-N 2.93Å; A212-V215 VanDerWaalsContact O-N 3.07Å; A212-N216 PolarHBondContact O-N 3.49Å
213	D	65.2	Low	67.9	Low	76 Å²	76	77.4 Å²	77.4	41%	0.406	39%	0.385	S	S	.	.	H	α-helix	trans	-62.9	-32	179.3	-68.4	-20.8	0	0	0	111.9	R209 R217	R209-D213 PolarHBondContact O-N 3.41Å; D213-R217 WeakPolarHBondContact O-CB 3.42Å; D213-R217 PolarHBondContact O-N 3.22Å; D213-R217 VanDerWaalsContact O-N 3.08Å; D213-R217 PolarHBondContact O-NE 3.19Å
214	N	62.6	Low	65.4	Low	73 Å²	73	83.1 Å²	83.1	39%	0.39	42%	0.42	S	S	.	.	H	α-helix	trans	-73.6	-36.4	174.5	-66.9	-28.2	0	0	0	112.2	D210 S211 A212 R217 R218	D210-N214 PolarHBondContact O-ND2 2.88Å; D210-N214 VanDerWaalsContact O-ND2 3.17Å; S211-N214 PolarHBondContact O-N 3.32Å; A212-N214 PolarHBondContact O-N 3.22Å; N214-R217 PolarHBondContact OD1-NH2 3.29Å; N214-R218 VanDerWaalsContact O-CG 3.3Å; N214-R218 WeakPolarHBondContact O-CG 3.36Å; N214-R218 PolarHBondContact O-N 3.09Å
215	V	64.1	Low	62.9	Low	44 Å²	44	89.1 Å²	89.1	27%	0.267	46%	0.457	S	S	.	.	H	α-helix	trans	-67.4	-43.3	175	175.3	0	0	0	0	110.9	L96 S211 A212 R218 Q219	L96-V215 HydrophobicContact CD1-CB 4.2Å; L96-V215 HydrophobicContact CD1-CG1 4.07Å; L96-V215 HydrophobicContact CD1-CG2 4.36Å; S211-V215 WeakPolarHBondContact O-CG2 3.33Å; S211-V215 PolarHBondContact O-N 2.73Å; S211-V215 VanDerWaalsContact O-N 3.12Å; A212-V215 PolarHBondContact O-N 2.93Å; A212-V215 VanDerWaalsContact O-N 3.07Å; V215-R218 PolarHBondContact O-N 3.34Å; V215-Q219 WeakPolarHBondContact O-CG 3.23Å; V215-Q219 PolarHBondContact O-N 2.95Å
216	N	60.3	Low	60.7	Low	76 Å²	76	96.4 Å²	96.4	41%	0.406	52%	0.518	S	S	.	.	H	α-helix	trans	-65.7	-43	179.1	-73.3	-23.3	0	0	0	111.8	A212 R218 Q219 S220	A212-N216 PolarHBondContact O-N 3.49Å; N216-R218 VanDerWaalsContact C-N 3.28Å; N216-R218 PolarHBondContact O-N 2.95Å; N216-Q219 PolarHBondContact O-N 2.97Å; N216-S220 PolarHBondContact O-N 2.99Å; N216-S220 VanDerWaalsContact O-N 3.08Å
217	R	55.1	Low	59	Low	172 Å²	172	101.3 Å²	101.3	65%	0.649	54%	0.544	S	S	*	.	H	α-helix	trans	-59.9	-34.9	174.3	-85.7	-173.4	-79.6	-138.5	0.1	113.5	D213 N214 Q219	D213-R217 WeakPolarHBondContact O-CB 3.42Å; D213-R217 PolarHBondContact O-N 3.22Å; D213-R217 VanDerWaalsContact O-N 3.08Å; D213-R217 PolarHBondContact O-NE 3.19Å; N214-R217 PolarHBondContact OD1-NH2 3.29Å; R217-Q219 VanDerWaalsContact C-N 3.27Å; R217-Q219 PolarHBondContact O-N 3.37Å
218	R	57.3	Low	57.3	Low	212 Å²	212	106.3 Å²	106.3	80%	0.8	57%	0.571	S	S	*	*	H	α-helix	trans	-71.8	-20.4	175.7	-70.5	175.3	-169.5	177.4	4.4	113.4	N214 V215 N216	N214-R218 VanDerWaalsContact O-CG 3.3Å; N214-R218 WeakPolarHBondContact O-CG 3.36Å; N214-R218 PolarHBondContact O-N 3.09Å; V215-R218 PolarHBondContact O-N 3.34Å; N216-R218 VanDerWaalsContact C-N 3.28Å; N216-R218 PolarHBondContact O-N 2.95Å
219	Q	53.3	Low	55.4	Low	112 Å²	112	104.8 Å²	104.8	52%	0.523	58%	0.575	S	S	.	*	H	α-helix	trans	-95	-21.5	-179.4	-68.8	-177.7	20.9	0	0	113.3	V215 N216 R217 P221	V215-Q219 WeakPolarHBondContact O-CG 3.23Å; V215-Q219 PolarHBondContact O-N 2.95Å; N216-Q219 PolarHBondContact O-N 2.97Å; R217-Q219 VanDerWaalsContact C-N 3.27Å; R217-Q219 PolarHBondContact O-N 3.37Å; Q219-P221 WeakPolarHBondContact O-CD 3.22Å
220	S	39.1	Very low	53.8	Low	85 Å²	85	105.7 Å²	105.7	59%	0.594	59%	0.589	S	S	*	*	S	Bend	trans	-107.9	82.4	174.4	-53.2	0	0	0	0	109	N216 D222	N216-S220 PolarHBondContact O-N 2.99Å; N216-S220 VanDerWaalsContact O-N 3.08Å; S220-D222 PolarHBondContact O-N 2.8Å
221	P	39.9	Very low	52.4	Low	108 Å²	108	104.4 Å²	104.4	70%	0.701	58%	0.584	S	S	*	*			trans	-59.6	127.4	171.2	27.2	-32.1	0	0	0	107.4	Q219 V223	Q219-P221 WeakPolarHBondContact O-CD 3.22Å; P221-V223 PolarHBondContact O-N 3.29Å
222	D	42.6	Very low	51.2	Low	148 Å²	148	110.1 Å²	110.1	79%	0.791	61%	0.613	S	S	*	*			trans	-37.1	116.7	179.6	-86.7	-44.6	0	0	0	110.2	S220 T224	S220-D222 PolarHBondContact O-N 2.8Å; D222-T224 PolarHBondContact O-N 3.04Å; D222-T224 PolarHBondContact O-OG1 3.25Å
223	V	41.3	Very low	50.3	Low	131 Å²	131	117.9 Å²	117.9	79%	0.794	66%	0.656	S	S	*	*			trans	-64.8	85	161.9	-178.3	0	0	0	0	104.7	P221 V225	P221-V223 PolarHBondContact O-N 3.29Å; V223-V225 VanDerWaalsContact C-N 3.26Å; V223-V225 HydrophobicContact CG1-CG2 4.4Å; V223-V225 PolarHBondContact O-N 2.96Å
224	T	39.7	Very low	49.2	Very low	122 Å²	122	121.1 Å²	121.1	75%	0.748	68%	0.676	S	S	*	*			trans	-66.1	98.6	168	-53.8	0	0	0	0	104.4	D222 A226	D222-T224 PolarHBondContact O-N 3.04Å; D222-T224 PolarHBondContact O-OG1 3.25Å; T224-A226 PolarHBondContact O-N 2.95Å; T224-A226 VanDerWaalsContact O-N 3.08Å
225	V	40.1	Very low	48.1	Very low	130 Å²	130	125.1 Å²	125.1	79%	0.788	70%	0.699	S	S	*	*			trans	-63.1	106.8	169.5	-179.9	0	0	0	0	105.9	V223	V223-V225 VanDerWaalsContact C-N 3.26Å; V223-V225 HydrophobicContact CG1-CG2 4.4Å; V223-V225 PolarHBondContact O-N 2.96Å
226	A	44.1	Very low	46.6	Very low	161 Å²	161	132.5 Å²	132.5	100%	1.331	74%	0.739	S	S	*	*			trans	-87.4	0	160.3	0	0	0	0	0	109	T224	T224-A226 PolarHBondContact O-N 2.95Å; T224-A226 VanDerWaalsContact O-N 3.08Å

Retrieved 226 of 226 residues in 69.7 ms (Link to these results)

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