A0A087YS85_POEFO Loading...

Chromosome 11 open reading frame 68

AlphaFold DB , UniProt , Accession A0A087YS85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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	D	40.8	Very low	36.5	Very low	220 Å²	220	153.5 Å²	153.5	100%	1.176	87%	0.872	S	S	*	*				0	118.7	0	-60.8	-21.6	0	0	0	109.5
2	G	38.8	Very low	36.6	Very low	78 Å²	78	146.6 Å²	146.6	80%	0.804	86%	0.86	S	S	*	*			trans	-73.1	145.8	-154.4	0	0	0	0	0	115.6	M4	G2-M4 PolarHBondContact O-N 2.92Å
3	I	36.3	Very low	36.5	Very low	163 Å²	163	149.8 Å²	149.8	84%	0.836	86%	0.862	S	S	*	*			trans	-76.8	111.9	165.9	-60.9	168.6	0	0	0	105.6	E5	I3-E5 PolarHBondContact O-N 3.41Å
4	M	36.1	Very low	36.8	Very low	188 Å²	188	145.8 Å²	145.8	93%	0.926	86%	0.856	S	S	*	*			trans	-79.2	108.2	169.3	-80	176.8	60.6	0	0	107.8	G2	G2-M4 PolarHBondContact O-N 2.92Å
5	E	37	Very low	37.6	Very low	180 Å²	180	147.1 Å²	147.1	84%	0.841	85%	0.85	S	S	*	*			trans	-67.2	141.6	169.7	-73.2	177.4	159.8	0	0	110.5	I3 E7	I3-E5 PolarHBondContact O-N 3.41Å; E5-E7 PolarHBondContact O-N 2.99Å
6	E	33.6	Very low	38.6	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	84%	0.844	S	S	*	*			trans	-75.1	108	-178.2	-169	176.1	-166.6	0	0	109.1	A8	E6-A8 PolarHBondContact O-N 3.3Å
7	E	34.1	Very low	40.2	Very low	196 Å²	196	142.6 Å²	142.6	92%	0.916	83%	0.831	S	S	*	*			trans	-76	108.8	169.2	-78.6	-168.9	162.8	0	0	109.3	E5	E5-E7 PolarHBondContact O-N 2.99Å
8	A	35.5	Very low	42.3	Very low	85 Å²	85	138.5 Å²	138.5	70%	0.702	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-60.1	140.8	171.1	0	0	0	0	0	110.6	E6 A10	E6-A8 PolarHBondContact O-N 3.3Å; A8-A10 PolarHBondContact O-N 3.48Å
9	P	33.3	Very low	44.7	Very low	121 Å²	121	133.8 Å²	133.8	79%	0.786	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-66.6	130.6	176.7	26.9	-30.6	0	0	0	109.6	D11	P9-D11 PolarHBondContact O-N 3.15Å
10	A	36.5	Very low	47	Very low	101 Å²	101	127.5 Å²	127.5	84%	0.835	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-54.1	120.4	173.8	0	0	0	0	0	109.9	A8 G12	A8-A10 PolarHBondContact O-N 3.48Å; A10-G12 PolarHBondContact O-N 3.31Å
11	D	39.5	Very low	49	Very low	160 Å²	160	127.2 Å²	127.2	86%	0.856	74%	0.74	S	S	*	*			trans	-51.6	114.2	171	-81.8	-40.1	0	0	0	108.9	P9 E13	P9-D11 PolarHBondContact O-N 3.15Å; D11-E13 PolarHBondContact O-N 2.95Å; D11-E13 VanDerWaalsContact O-N 3.16Å
12	G	37.6	Very low	51.4	Low	71 Å²	71	119.1 Å²	119.1	73%	0.732	70%	0.699	S	S	*	*			trans	-60.2	118	170.5	0	0	0	0	0	108.5	A10 A14	A10-G12 PolarHBondContact O-N 3.31Å; G12-A14 PolarHBondContact O-N 3.27Å
13	E	35.3	Very low	53.9	Low	188 Å²	188	117.3 Å²	117.3	88%	0.879	67%	0.668	S	S	*	*			trans	-51.4	111.5	171.3	-71.3	-179.7	158	0	0	108.6	D11 E15	D11-E13 PolarHBondContact O-N 2.95Å; D11-E13 VanDerWaalsContact O-N 3.16Å; E13-E15 PolarHBondContact O-N 3.32Å
14	A	40.4	Very low	56.5	Low	94 Å²	94	110.1 Å²	110.1	78%	0.777	63%	0.633	S	S	*	*			trans	-63.6	104.4	170.3	0	0	0	0	0	107.4	G12 T16	G12-A14 PolarHBondContact O-N 3.27Å; A14-T16 PolarHBondContact O-N 3.48Å; A14-T16 VanDerWaalsContact O-N 3.11Å
15	E	48.7	Very low	59.2	Low	165 Å²	165	103.8 Å²	103.8	77%	0.771	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-49.6	120.4	177.8	-69.4	-173	165.3	0	0	110	E13	E13-E15 PolarHBondContact O-N 3.32Å
16	T	54.9	Low	61.8	Low	122 Å²	122	100.2 Å²	100.2	75%	0.748	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-58.9	129.3	177.3	50.1	0	0	0	0	109	A14 L18	A14-T16 PolarHBondContact O-N 3.48Å; A14-T16 VanDerWaalsContact O-N 3.11Å; T16-L18 PolarHBondContact O-N 2.81Å; T16-L18 VanDerWaalsContact O-N 3.11Å
17	P	65.1	Low	64.5	Low	97 Å²	97	92 Å²	92	63%	0.63	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-56.3	122.8	-178.6	-24.1	31.9	0	0	0	110.9	N214	P17-N214 WeakPolarHBondContact CB-ND2 3.31Å
18	L	77.3	Confident	67.2	Low	68 Å²	68	88.5 Å²	88.5	36%	0.356	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-51.5	141.9	177	-65.8	177.7	0	0	0	111.5	T16 T22 Y23 N214	T16-L18 PolarHBondContact O-N 2.81Å; T16-L18 VanDerWaalsContact O-N 3.11Å; L18-T22 HydrophobicContact CD2-CG2 4.24Å; L18-Y23 HydrophobicContact CB-CD2 4.44Å; L18-Y23 HydrophobicContact CB-CE2 3.54Å; L18-Y23 WeakPolarHBondContact CD1-OH 3.35Å; L18-N214 PolarHBondContact O-ND2 3.37Å
19	S	88.4	Confident	69.9	Low	50 Å²	50	86.6 Å²	86.6	35%	0.35	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-75.3	159.2	-179.5	75.3	0	0	0	0	111.3	D21 T22 Y23	S19-D21 PolarHBondContact O-N 3.16Å; S19-D21 PolarHBondContact OG-N 3.38Å; S19-T22 PolarHBondContact O-N 3.22Å; S19-T22 PolarHBondContact OG-N 3.49Å; S19-T22 PolarHBondContact OG-OG1 3.35Å; S19-Y23 WeakPolarHBondContact O-CD2 3.45Å; S19-Y23 PolarHBondContact O-N 2.83Å
20	A	90.5	Very high	72.7	Confident	6 Å²	6	81.2 Å²	81.2	5%	0.05	49%	0.494	C	S	.	.	H	α-helix	trans	-57.9	-34.4	174.3	0	0	0	0	0	112.4	Y23 A24 R213 N215	A20-Y23 WeakPolarHBondContact O-CB 3.48Å; A20-Y23 PolarHBondContact O-N 2.83Å; A20-A24 PolarHBondContact O-N 2.84Å; A20-R213 WeakPolarHBondContact CA-O 3.2Å; A20-R213 WeakPolarHBondContact CB-O 3.31Å; A20-R213 PolarHBondContact N-O 2.75Å; A20-N215 HydrophobicContact CB-CB 3.96Å
21	D	89.8	Confident	75.4	Confident	123 Å²	123	79.9 Å²	79.9	66%	0.658	47%	0.473	S	S	*	.	H	α-helix	trans	-67.4	-39	179.4	-60.6	-23.1	0	0	0	111.8	S19 Y23 A24 A25	S19-D21 PolarHBondContact O-N 3.16Å; S19-D21 PolarHBondContact OG-N 3.38Å; D21-Y23 VanDerWaalsContact C-N 3.33Å; D21-Y23 PolarHBondContact O-N 3.5Å; D21-A24 PolarHBondContact O-N 2.94Å; D21-A25 WeakPolarHBondContact O-CB 3.41Å; D21-A25 PolarHBondContact O-N 3.31Å
22	T	90.3	Very high	77.9	Confident	50 Å²	50	80 Å²	80	31%	0.307	47%	0.471	S	S	.	.	H	α-helix	trans	-60.3	-45.1	173.5	-55.2	0	0	0	0	110.7	L18 S19 A24 A25 E26	L18-T22 HydrophobicContact CD2-CG2 4.24Å; S19-T22 PolarHBondContact O-N 3.22Å; S19-T22 PolarHBondContact OG-N 3.49Å; S19-T22 PolarHBondContact OG-OG1 3.35Å; T22-A24 PolarHBondContact O-N 3.38Å; T22-A25 PolarHBondContact O-N 3.14Å; T22-E26 WeakPolarHBondContact O-CG 3.5Å; T22-E26 PolarHBondContact O-N 3.47Å
23	Y	91	Very high	80.7	Confident	39 Å²	39	78.3 Å²	78.3	15%	0.153	45%	0.445	C	S	.	.	H	α-helix	trans	-62.6	-40.8	176.2	-77.7	-66.9	0	0	0	113.5	L18 S19 A20 D21 A27 Y212 R213	L18-Y23 HydrophobicContact CB-CD2 4.44Å; L18-Y23 HydrophobicContact CB-CE2 3.54Å; L18-Y23 WeakPolarHBondContact CD1-OH 3.35Å; S19-Y23 WeakPolarHBondContact O-CD2 3.45Å; S19-Y23 PolarHBondContact O-N 2.83Å; A20-Y23 WeakPolarHBondContact O-CB 3.48Å; A20-Y23 PolarHBondContact O-N 2.83Å; D21-Y23 VanDerWaalsContact C-N 3.33Å; D21-Y23 PolarHBondContact O-N 3.5Å; Y23-A27 WeakPolarHBondContact O-CB 3.34Å; Y23-A27 PolarHBondContact O-N 2.67Å; Y23-Y212 VanDerWaalsContact CB-CD1 3.47Å; Y23-Y212 VanDerWaalsContact CB-CG 3.46Å; Y23-Y212 HydrophobicContact CG-CD1 4.17Å; Y23-Y212 HydrophobicContact CG-CG 4.35Å; Y23-R213 HydrophobicContact CD2-CG 3.72Å; Y23-R213 HydrophobicContact CE2-CG 3.39Å; Y23-R213 VanDerWaalsContact CZ-CZ 3.41Å; Y23-R213 PolarHBondContact OH-NE 3.44Å; Y23-R213 PolarHBondContact OH-NH1 2.82Å; Y23-R213 PolarHBondContact OH-NH2 3.11Å
24	A	91.7	Very high	83.6	Confident	13 Å²	13	73.3 Å²	73.3	11%	0.107	43%	0.428	C	S	.	.	H	α-helix	trans	-64	-44.6	177	0	0	0	0	0	110.6	A20 D21 T22 A27 M28 Y212	A20-A24 PolarHBondContact O-N 2.84Å; D21-A24 PolarHBondContact O-N 2.94Å; T22-A24 PolarHBondContact O-N 3.38Å; A24-A27 PolarHBondContact O-N 3.45Å; A24-M28 WeakPolarHBondContact O-CG 3.38Å; A24-M28 PolarHBondContact O-N 3.36Å; A24-Y212 HydrophobicContact CB-CD2 3.94Å; A24-Y212 HydrophobicContact CB-CE2 3.76Å
25	A	92.4	Very high	86.3	Confident	54 Å²	54	73.2 Å²	73.2	45%	0.446	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-44.7	177.1	0	0	0	0	0	112.3	D21 T22 M28 A29	D21-A25 WeakPolarHBondContact O-CB 3.41Å; D21-A25 PolarHBondContact O-N 3.31Å; T22-A25 PolarHBondContact O-N 3.14Å; A25-M28 PolarHBondContact O-N 2.64Å; A25-A29 WeakPolarHBondContact O-CB 3.41Å; A25-A29 PolarHBondContact O-N 2.92Å
26	E	91	Very high	88.6	Confident	106 Å²	106	67.2 Å²	67.2	50%	0.495	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-42.9	176.5	-74.9	177.6	-179.2	0	0	112.4	T22 A29 A30	T22-E26 WeakPolarHBondContact O-CG 3.5Å; T22-E26 PolarHBondContact O-N 3.47Å; E26-A29 PolarHBondContact O-N 3.43Å; E26-A30 WeakPolarHBondContact O-CB 3.32Å; E26-A30 PolarHBondContact O-N 3.03Å
27	A	91.2	Very high	90.7	Very high	22 Å²	22	64.3 Å²	64.3	18%	0.182	36%	0.363	C	S	.	.	H	α-helix	trans	-64.3	-43.9	177.4	0	0	0	0	0	111.8	Y23 A24 A30 D31 Y212	Y23-A27 WeakPolarHBondContact O-CB 3.34Å; Y23-A27 PolarHBondContact O-N 2.67Å; A24-A27 PolarHBondContact O-N 3.45Å; A27-A30 PolarHBondContact O-N 3.11Å; A27-D31 PolarHBondContact O-N 2.98Å; A27-Y212 WeakPolarHBondContact CB-OH 3.35Å
28	M	91.6	Very high	92.3	Very high	123 Å²	123	59.8 Å²	59.8	61%	0.606	33%	0.333	S	S	*	.	H	α-helix	trans	-62.2	-43.6	175	-73.2	-172.2	-72.2	0	0	111.7	A24 A25 A30 D31 M32	A24-M28 WeakPolarHBondContact O-CG 3.38Å; A24-M28 PolarHBondContact O-N 3.36Å; A25-M28 PolarHBondContact O-N 2.64Å; M28-A30 VanDerWaalsContact C-N 3.34Å; M28-A30 PolarHBondContact O-N 3.23Å; M28-D31 PolarHBondContact O-N 3.4Å; M28-M32 WeakPolarHBondContact O-CG 3.33Å; M28-M32 PolarHBondContact O-N 2.97Å
29	A	92.4	Very high	93.2	Very high	45 Å²	45	57.6 Å²	57.6	37%	0.372	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-40.3	177.3	0	0	0	0	0	112.2	A25 E26 D31 M32 D33 R62	A25-A29 WeakPolarHBondContact O-CB 3.41Å; A25-A29 PolarHBondContact O-N 2.92Å; E26-A29 PolarHBondContact O-N 3.43Å; A29-D31 VanDerWaalsContact C-N 3.34Å; A29-M32 PolarHBondContact O-N 3.21Å; A29-D33 PolarHBondContact O-N 3.29Å; A29-R62 PolarHBondContact O-NH2 3.14Å
30	A	92	Very high	93.6	Very high	9 Å²	9	56.4 Å²	56.4	7%	0.074	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-34.9	174.8	0	0	0	0	0	112.7	E26 A27 M28 M32 W35 G74	E26-A30 WeakPolarHBondContact O-CB 3.32Å; E26-A30 PolarHBondContact O-N 3.03Å; A27-A30 PolarHBondContact O-N 3.11Å; M28-A30 VanDerWaalsContact C-N 3.34Å; M28-A30 PolarHBondContact O-N 3.23Å; A30-M32 VanDerWaalsContact C-N 3.35Å; A30-W35 PolarHBondContact O-NE1 3.29Å; A30-G74 WeakPolarHBondContact O-CA 3.35Å
31	D	92.1	Very high	93.8	Very high	72 Å²	72	61 Å²	61	39%	0.385	33%	0.33	S	S	.	.	H	α-helix	trans	-76.9	-21.2	178	-73.1	-10.9	0	0	0	112.8	A27 M28 A29 W35 W75 K156	A27-D31 PolarHBondContact O-N 2.98Å; M28-D31 PolarHBondContact O-N 3.4Å; A29-D31 VanDerWaalsContact C-N 3.34Å; D31-W35 WeakPolarHBondContact OD1-CZ2 3.29Å; D31-W75 PolarHBondContact OD1-NE1 2.54Å; D31-K156 IonicContact OD1-NZ 2.68Å; D31-K156 PolarHBondContact OD1-NZ 3.45Å
32	M	93.2	Very high	94.1	Very high	164 Å²	164	61.3 Å²	61.3	81%	0.808	33%	0.331	S	S	*	.	H	α-helix	trans	-82.4	-26	175.2	-72.4	-60.2	-57.6	0	0	114.5	M28 A29 A30	M28-M32 WeakPolarHBondContact O-CG 3.33Å; M28-M32 PolarHBondContact O-N 2.97Å; A29-M32 PolarHBondContact O-N 3.21Å; A30-M32 VanDerWaalsContact C-N 3.35Å
33	D	94.9	Very high	94.3	Very high	35 Å²	35	60.9 Å²	60.9	19%	0.187	33%	0.329	C	S	.	.	S	Bend	trans	-76.9	156.8	177	-77.7	-33.8	0	0	0	111.6	A29 R62 R72	A29-D33 PolarHBondContact O-N 3.29Å; D33-R62 IonicContact OD2-CZ 2.76Å; D33-R62 IonicContact OD2-NH1 3.97Å; D33-R62 PolarHBondContact OD2-NH1 3.12Å; D33-R62 IonicContact OD2-NH2 3.61Å; D33-R62 PolarHBondContact OD2-NH2 3.07Å; D33-R72 HydrophobicContact CB-CB 4.45Å
34	P	95.9	Very high	94.6	Very high	82 Å²	82	62.2 Å²	62.2	53%	0.532	34%	0.342	S	S	.	.			trans	-58.3	144.8	178.8	-24.5	34.4	0	0	0	113.3	V73 G74	P34-V73 WeakPolarHBondContact O-CA 3.15Å; P34-G74 PolarHBondContact O-N 2.96Å
35	W	97.3	Very high	94.8	Very high	93 Å²	93	69.1 Å²	69.1	35%	0.352	37%	0.365	S	S	.	.			trans	-104.9	143.6	176.1	-65.1	15.5	0	0	0	110.6	A30 D31 V37 W75 A77 K156	A30-W35 PolarHBondContact O-NE1 3.29Å; D31-W35 WeakPolarHBondContact OD1-CZ2 3.29Å; W35-V37 HydrophobicContact CB-CG2 3.61Å; W35-W75 CarbonylContact C-O 3.55Å; W35-W75 VanDerWaalsContact CA-O 3.24Å; W35-W75 WeakPolarHBondContact CA-O 3.4Å; W35-W75 WeakPolarHBondContact CB-O 3.35Å; W35-W75 HydrophobicContact CD2-CB 3.69Å; W35-W75 HydrophobicContact CD2-CG 4.25Å; W35-W75 AromaticContact CE2-CD1 3.39Å; W35-W75 AromaticContact CE2-CG 3.92Å; W35-W75 HydrophobicContact CE3-CB 4.08Å; W35-W75 HydrophobicContact CG-CB 3.88Å; W35-W75 HydrophobicContact CZ2-CB 4.41Å; W35-W75 AromaticContact CZ2-CD1 3.47Å; W35-W75 VanDerWaalsContact CZ2-CD1 3.47Å; W35-W75 HydrophobicContact CZ2-CG 4.1Å; W35-W75 AromaticContact NE1-CD1 3.47Å; W35-A77 HydrophobicContact CE3-CB 3.99Å; W35-A77 HydrophobicContact CZ3-CB 4.37Å; W35-K156 HydrophobicContact CH2-CD 3.97Å; W35-K156 HydrophobicContact CZ3-CD 4.14Å
36	I	97.8	Very high	95	Very high	38 Å²	38	71.7 Å²	71.7	20%	0.195	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	111.2	164.9	-59	179.5	0	0	0	106.9	W51 N55 V60 V73 W75 I76 A77	I36-W51 HydrophobicContact CG2-CZ2 3.83Å; I36-N55 HydrophobicContact CG2-CB 4.11Å; I36-N55 VanDerWaalsContact CG2-OD1 3.3Å; I36-N55 WeakPolarHBondContact CG2-OD1 3.47Å; I36-V60 HydrophobicContact CD1-CG1 3.78Å; I36-V60 HydrophobicContact CD1-CG2 4.17Å; I36-V73 HydrophobicContact CD1-CG1 4.1Å; I36-V73 HydrophobicContact CD1-CG2 4Å; I36-V73 HydrophobicContact CG1-CG1 3.94Å; I36-V73 HydrophobicContact CG1-CG2 4.2Å; I36-W75 PolarHBondContact N-O 3.45Å; I36-I76 HydrophobicContact CB-CG1 4.38Å; I36-I76 HydrophobicContact CB-CG2 4.29Å; I36-I76 HydrophobicContact CD1-CG1 4.48Å; I36-I76 HydrophobicContact CG2-CG2 4.3Å; I36-I76 CarbonylContact O-C 3.56Å; I36-I76 VanDerWaalsContact O-CA 3.28Å; I36-I76 WeakPolarHBondContact O-CA 3.39Å; I36-A77 PolarHBondContact O-N 3.14Å
37	V	98.3	Very high	95.3	Very high	62 Å²	62	71.7 Å²	71.7	38%	0.376	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.2	-171.6	-175.4	0	0	0	0	111	W35 A77 L79	W35-V37 HydrophobicContact CB-CG2 3.61Å; V37-A77 WeakPolarHBondContact CA-O 3.33Å; V37-A77 HydrophobicContact CG2-CB 4.43Å; V37-L79 HydrophobicContact CG1-CD1 3.95Å; V37-L79 HydrophobicContact CG1-CG 3.86Å
38	F	98.4	Very high	95.7	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.009	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.1	159.9	-167.7	-83.1	0	0	0	108.9	T43 E47 F48 W51 A77 V78 L79 L148	F38-T43 HydrophobicContact CD2-CG2 4.09Å; F38-T43 HydrophobicContact CE1-CG2 4.41Å; F38-T43 HydrophobicContact CE2-CG2 3.43Å; F38-T43 VanDerWaalsContact CE2-CG2 3.43Å; F38-T43 HydrophobicContact CZ-CG2 3.62Å; F38-E47 HydrophobicContact CE2-CB 4.47Å; F38-F48 AromaticContact CD1-CD2 3.63Å; F38-F48 HydrophobicContact CD1-CD2 3.63Å; F38-F48 HydrophobicContact CD1-CE2 4.01Å; F38-F48 AromaticContact CD2-CD2 3.83Å; F38-F48 HydrophobicContact CD2-CD2 3.83Å; F38-F48 HydrophobicContact CE1-CB 4.4Å; F38-F48 AromaticContact CE1-CD2 3.62Å; F38-F48 HydrophobicContact CE1-CD2 3.62Å; F38-F48 HydrophobicContact CE1-CE2 4.38Å; F38-F48 HydrophobicContact CE1-CG 4.44Å; F38-F48 HydrophobicContact CE2-CB 4.01Å; F38-F48 AromaticContact CE2-CD2 3.81Å; F38-F48 HydrophobicContact CE2-CD2 3.81Å; F38-F48 HydrophobicContact CE2-CG 4.42Å; F38-F48 AromaticContact CG-CD2 3.74Å; F38-F48 HydrophobicContact CG-CD2 3.74Å; F38-F48 HydrophobicContact CG-CE2 4.11Å; F38-F48 HydrophobicContact CZ-CB 3.79Å; F38-F48 AromaticContact CZ-CD2 3.7Å; F38-F48 HydrophobicContact CZ-CD2 3.7Å; F38-F48 HydrophobicContact CZ-CG 4.24Å; F38-W51 HydrophobicContact CB-CD2 3.81Å; F38-W51 HydrophobicContact CB-CE3 3.94Å; F38-W51 HydrophobicContact CB-CG 4.46Å; F38-W51 HydrophobicContact CB-CH2 3.83Å; F38-W51 HydrophobicContact CB-CZ2 3.69Å; F38-W51 HydrophobicContact CB-CZ3 3.96Å; F38-W51 HydrophobicContact CD2-CB 3.91Å; F38-W51 AromaticContact CD2-CD2 3.82Å; F38-W51 HydrophobicContact CD2-CD2 3.82Å; F38-W51 HydrophobicContact CD2-CE3 4.23Å; F38-W51 AromaticContact CD2-CG 3.66Å; F38-W51 HydrophobicContact CD2-CG 3.66Å; F38-W51 HydrophobicContact CE2-CB 4.26Å; F38-W51 HydrophobicContact CE2-CG 4.46Å; F38-W51 HydrophobicContact CG-CD2 4.24Å; F38-W51 HydrophobicContact CG-CE3 4.38Å; F38-A77 PolarHBondContact N-O 3.34Å; F38-V78 HydrophobicContact CB-CG2 4.18Å; F38-V78 HydrophobicContact CD1-CG1 4.38Å; F38-V78 WeakPolarHBondContact O-CA 3.23Å; F38-L79 PolarHBondContact O-N 3.44Å; F38-L148 HydrophobicContact CD1-CD1 4.38Å; F38-L148 HydrophobicContact CE1-CD1 3.71Å
39	D	97.7	Very high	96	Very high	22 Å²	22	68.6 Å²	68.6	12%	0.118	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	100.3	177.7	-171.8	-10.5	0	0	0	110.2	R41 N42 T43 L79	D39-R41 PolarHBondContact O-N 2.8Å; D39-R41 VanDerWaalsContact OD1-CB 3.28Å; D39-R41 WeakPolarHBondContact OD1-CB 3.42Å; D39-R41 WeakPolarHBondContact OD1-CG 3.28Å; D39-R41 IonicContact OD1-CZ 3.56Å; D39-R41 PolarHBondContact OD1-N 3.33Å; D39-R41 VanDerWaalsContact OD1-N 3.07Å; D39-R41 IonicContact OD1-NE 2.79Å; D39-R41 PolarHBondContact OD1-NE 3.46Å; D39-R41 IonicContact OD1-NH2 3.47Å; D39-R41 PolarHBondContact OD1-NH2 3.11Å; D39-R41 IonicContact OD2-CZ 3.5Å; D39-R41 IonicContact OD2-NE 3.43Å; D39-R41 PolarHBondContact OD2-NE 3.28Å; D39-R41 IonicContact OD2-NH2 2.74Å; D39-R41 PolarHBondContact OD2-NH2 2.89Å; D39-N42 HydrophobicContact CB-CB 4.42Å; D39-N42 PolarHBondContact O-N 3.23Å; D39-N42 PolarHBondContact OD2-ND2 2.91Å; D39-T43 WeakPolarHBondContact O-CB 3.43Å; D39-T43 PolarHBondContact O-N 3.48Å; D39-T43 PolarHBondContact O-OG1 3.5Å; D39-L79 HydrophobicContact CB-CD1 4.24Å
40	S	96.6	Very high	96.3	Very high	25 Å²	25	68.2 Å²	68.2	18%	0.175	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.4	-177.7	64.9	0	0	0	0	114.6	L79 G80 P81	S40-L79 VanDerWaalsContact CB-O 3.31Å; S40-L79 WeakPolarHBondContact CB-O 3.44Å; S40-L79 PolarHBondContact N-O 3.47Å; S40-L79 PolarHBondContact OG-O 2.92Å; S40-G80 WeakPolarHBondContact OG-CA 3.08Å; S40-P81 VanDerWaalsContact OG-CD 3.28Å; S40-P81 WeakPolarHBondContact OG-CD 3.36Å
41	R	94.6	Very high	96.6	Very high	103 Å²	103	69.6 Å²	69.6	39%	0.389	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-25	174.1	-55.5	167.8	-63.1	176.5	11	111.8	D39 H83	D39-R41 PolarHBondContact O-N 2.8Å; D39-R41 VanDerWaalsContact OD1-CB 3.28Å; D39-R41 WeakPolarHBondContact OD1-CB 3.42Å; D39-R41 WeakPolarHBondContact OD1-CG 3.28Å; D39-R41 IonicContact OD1-CZ 3.56Å; D39-R41 PolarHBondContact OD1-N 3.33Å; D39-R41 VanDerWaalsContact OD1-N 3.07Å; D39-R41 IonicContact OD1-NE 2.79Å; D39-R41 PolarHBondContact OD1-NE 3.46Å; D39-R41 IonicContact OD1-NH2 3.47Å; D39-R41 PolarHBondContact OD1-NH2 3.11Å; D39-R41 IonicContact OD2-CZ 3.5Å; D39-R41 IonicContact OD2-NE 3.43Å; D39-R41 PolarHBondContact OD2-NE 3.28Å; D39-R41 IonicContact OD2-NH2 2.74Å; D39-R41 PolarHBondContact OD2-NH2 2.89Å; R41-H83 PolarHBondContact NH1-O 2.95Å
42	N	95.1	Very high	96.8	Very high	128 Å²	128	66.7 Å²	66.7	68%	0.684	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-17.9	-169.8	-64	-42.6	0	0	0	113.5	D39	D39-N42 HydrophobicContact CB-CB 4.42Å; D39-N42 PolarHBondContact O-N 3.23Å; D39-N42 PolarHBondContact OD2-ND2 2.91Å
43	T	95.6	Very high	97	Very high	42 Å²	42	64.9 Å²	64.9	26%	0.258	34%	0.34	S	S	.	.	S	Bend	trans	-110.8	130.9	-176.8	-51.3	0	0	0	0	110.9	F38 D39 R45 E47	F38-T43 HydrophobicContact CD2-CG2 4.09Å; F38-T43 HydrophobicContact CE1-CG2 4.41Å; F38-T43 HydrophobicContact CE2-CG2 3.43Å; F38-T43 VanDerWaalsContact CE2-CG2 3.43Å; F38-T43 HydrophobicContact CZ-CG2 3.62Å; D39-T43 WeakPolarHBondContact O-CB 3.43Å; D39-T43 PolarHBondContact O-N 3.48Å; D39-T43 PolarHBondContact O-OG1 3.5Å; T43-R45 PolarHBondContact O-N 3.38Å; T43-E47 HydrophobicContact CG2-CB 4.38Å
44	P	96.4	Very high	97.1	Very high	66 Å²	66	67.6 Å²	67.6	43%	0.429	36%	0.362	S	S	.	.			trans	-57.3	135.3	177.9	-26.1	35.3	0	0	0	113.2	S46 E47	P44-S46 PolarHBondContact O-N 3.1Å; P44-S46 VanDerWaalsContact O-N 3.11Å; P44-E47 HydrophobicContact CB-CG 4.43Å; P44-E47 WeakPolarHBondContact CD-OE1 3.4Å; P44-E47 WeakPolarHBondContact CG-OE1 3.36Å; P44-E47 PolarHBondContact O-N 2.98Å
45	R	95.9	Very high	97.1	Very high	159 Å²	159	65 Å²	65	60%	0.6	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-56.7	-30.8	179.3	-171	176.7	-179.7	177.1	2.3	113.3	T43 E47 F48 L148 E149	T43-R45 PolarHBondContact O-N 3.38Å; R45-E47 PolarHBondContact O-N 3.45Å; R45-F48 WeakPolarHBondContact O-CB 3.36Å; R45-F48 PolarHBondContact O-N 3.22Å; R45-L148 HydrophobicContact CG-CD1 4.3Å; R45-L148 HydrophobicContact CG-CD2 3.9Å; R45-L148 HydrophobicContact CG-CG 4.28Å; R45-E149 IonicContact NH2-OE1 2.93Å
46	S	97.3	Very high	97.2	Very high	107 Å²	107	65.6 Å²	65.6	75%	0.748	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-64.2	-21.7	178.8	49.8	0	0	0	0	113.9	P44 F48	P44-S46 PolarHBondContact O-N 3.1Å; P44-S46 VanDerWaalsContact O-N 3.11Å; S46-F48 VanDerWaalsContact C-N 3.33Å
47	E	97.9	Very high	97.1	Very high	107 Å²	107	63.8 Å²	63.8	50%	0.5	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-84.3	-11.8	178.6	-65.2	176.7	-148.1	0	0	112.6	F38 T43 P44 R45 D49 G50 W51	F38-E47 HydrophobicContact CE2-CB 4.47Å; T43-E47 HydrophobicContact CG2-CB 4.38Å; P44-E47 HydrophobicContact CB-CG 4.43Å; P44-E47 WeakPolarHBondContact CD-OE1 3.4Å; P44-E47 WeakPolarHBondContact CG-OE1 3.36Å; P44-E47 PolarHBondContact O-N 2.98Å; R45-E47 PolarHBondContact O-N 3.45Å; E47-D49 PolarHBondContact O-N 3.03Å; E47-G50 PolarHBondContact O-N 3.45Å; E47-W51 WeakPolarHBondContact O-CB 3.47Å; E47-W51 PolarHBondContact O-N 3.39Å
48	F	98.3	Very high	97	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-40.2	-170.3	-173.5	-107.9	0	0	0	113.6	F38 R45 S46 W51 L52 V78 A144 R145 L148	F38-F48 AromaticContact CD1-CD2 3.63Å; F38-F48 HydrophobicContact CD1-CD2 3.63Å; F38-F48 HydrophobicContact CD1-CE2 4.01Å; F38-F48 AromaticContact CD2-CD2 3.83Å; F38-F48 HydrophobicContact CD2-CD2 3.83Å; F38-F48 HydrophobicContact CE1-CB 4.4Å; F38-F48 AromaticContact CE1-CD2 3.62Å; F38-F48 HydrophobicContact CE1-CD2 3.62Å; F38-F48 HydrophobicContact CE1-CE2 4.38Å; F38-F48 HydrophobicContact CE1-CG 4.44Å; F38-F48 HydrophobicContact CE2-CB 4.01Å; F38-F48 AromaticContact CE2-CD2 3.81Å; F38-F48 HydrophobicContact CE2-CD2 3.81Å; F38-F48 HydrophobicContact CE2-CG 4.42Å; F38-F48 AromaticContact CG-CD2 3.74Å; F38-F48 HydrophobicContact CG-CD2 3.74Å; F38-F48 HydrophobicContact CG-CE2 4.11Å; F38-F48 HydrophobicContact CZ-CB 3.79Å; F38-F48 AromaticContact CZ-CD2 3.7Å; F38-F48 HydrophobicContact CZ-CD2 3.7Å; F38-F48 HydrophobicContact CZ-CG 4.24Å; R45-F48 WeakPolarHBondContact O-CB 3.36Å; R45-F48 PolarHBondContact O-N 3.22Å; S46-F48 VanDerWaalsContact C-N 3.33Å; F48-W51 HydrophobicContact CD2-CE3 4.5Å; F48-W51 HydrophobicContact CE2-CE3 4.3Å; F48-W51 HydrophobicContact CE2-CZ3 4.39Å; F48-W51 PolarHBondContact O-N 3.34Å; F48-L52 HydrophobicContact CD1-CD1 3.78Å; F48-L52 HydrophobicContact CD1-CG 4.29Å; F48-L52 HydrophobicContact CE1-CD1 3.3Å; F48-L52 HydrophobicContact CE1-CG 3.9Å; F48-L52 HydrophobicContact CE2-CG 4.46Å; F48-L52 HydrophobicContact CZ-CD1 3.84Å; F48-L52 HydrophobicContact CZ-CD2 4.24Å; F48-L52 HydrophobicContact CZ-CG 4Å; F48-L52 PolarHBondContact O-N 2.92Å; F48-V78 HydrophobicContact CE2-CG1 4.09Å; F48-V78 HydrophobicContact CE2-CG2 3.98Å; F48-V78 HydrophobicContact CZ-CG2 4.41Å; F48-A144 HydrophobicContact CZ-CB 3.86Å; F48-R145 HydrophobicContact CE1-CG 3.69Å; F48-L148 HydrophobicContact CB-CD2 4.04Å; F48-L148 HydrophobicContact CD1-CD2 3.43Å; F48-L148 VanDerWaalsContact CD1-CD2 3.43Å; F48-L148 HydrophobicContact CD2-CD1 4.16Å; F48-L148 HydrophobicContact CD2-CD2 4.05Å; F48-L148 HydrophobicContact CE1-CD2 3.76Å; F48-L148 HydrophobicContact CE2-CB 4.5Å; F48-L148 HydrophobicContact CE2-CD2 4.36Å; F48-L148 HydrophobicContact CG-CD1 4.36Å; F48-L148 HydrophobicContact CG-CD2 3.56Å; F48-L148 HydrophobicContact CZ-CB 4.34Å; F48-L148 HydrophobicContact CZ-CD2 4.2Å
49	D	98.2	Very high	96.8	Very high	79 Å²	79	67.4 Å²	67.4	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-66.7	-46	-179	-67.3	-28.9	0	0	0	111.3	E47 W51 L52 E53 R145	E47-D49 PolarHBondContact O-N 3.03Å; D49-W51 VanDerWaalsContact C-N 3.28Å; D49-W51 PolarHBondContact O-N 3.48Å; D49-L52 PolarHBondContact O-N 3.31Å; D49-E53 WeakPolarHBondContact O-CG 3.34Å; D49-E53 PolarHBondContact O-N 3.34Å; D49-R145 IonicContact OD1-CZ 3.97Å; D49-R145 IonicContact OD1-NH1 3.94Å; D49-R145 PolarHBondContact OD1-NH1 3.28Å; D49-R145 IonicContact OD1-NH2 2.75Å; D49-R145 PolarHBondContact OD1-NH2 3.46Å
50	G	98.3	Very high	96.7	Very high	36 Å²	36	67.3 Å²	67.3	37%	0.371	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-34.5	175.2	0	0	0	0	0	112.7	E47 S54	E47-G50 PolarHBondContact O-N 3.45Å; G50-S54 WeakPolarHBondContact O-CB 3.36Å; G50-S54 PolarHBondContact O-N 3.12Å; G50-S54 VanDerWaalsContact O-N 3.09Å; G50-S54 PolarHBondContact O-OG 3.05Å
51	W	98.4	Very high	96.6	Very high	38 Å²	38	72 Å²	72	14%	0.144	37%	0.366	C	S	.	.	H	α-helix	trans	-65.8	-44.1	173.6	-178.5	92.3	0	0	0	112.1	I36 F38 E47 F48 D49 E53 S54 N55 I76 V78 W140	I36-W51 HydrophobicContact CG2-CZ2 3.83Å; F38-W51 HydrophobicContact CB-CD2 3.81Å; F38-W51 HydrophobicContact CB-CE3 3.94Å; F38-W51 HydrophobicContact CB-CG 4.46Å; F38-W51 HydrophobicContact CB-CH2 3.83Å; F38-W51 HydrophobicContact CB-CZ2 3.69Å; F38-W51 HydrophobicContact CB-CZ3 3.96Å; F38-W51 HydrophobicContact CD2-CB 3.91Å; F38-W51 AromaticContact CD2-CD2 3.82Å; F38-W51 HydrophobicContact CD2-CD2 3.82Å; F38-W51 HydrophobicContact CD2-CE3 4.23Å; F38-W51 AromaticContact CD2-CG 3.66Å; F38-W51 HydrophobicContact CD2-CG 3.66Å; F38-W51 HydrophobicContact CE2-CB 4.26Å; F38-W51 HydrophobicContact CE2-CG 4.46Å; F38-W51 HydrophobicContact CG-CD2 4.24Å; F38-W51 HydrophobicContact CG-CE3 4.38Å; E47-W51 WeakPolarHBondContact O-CB 3.47Å; E47-W51 PolarHBondContact O-N 3.39Å; F48-W51 HydrophobicContact CD2-CE3 4.5Å; F48-W51 HydrophobicContact CE2-CE3 4.3Å; F48-W51 HydrophobicContact CE2-CZ3 4.39Å; F48-W51 PolarHBondContact O-N 3.34Å; D49-W51 VanDerWaalsContact C-N 3.28Å; D49-W51 PolarHBondContact O-N 3.48Å; W51-E53 VanDerWaalsContact C-N 3.35Å; W51-E53 PolarHBondContact O-N 3.32Å; W51-S54 PolarHBondContact O-N 3.02Å; W51-N55 PolarHBondContact NE1-ND2 2.98Å; W51-N55 WeakPolarHBondContact O-CB 3.44Å; W51-N55 PolarHBondContact O-N 3.2Å; W51-N55 VanDerWaalsContact O-N 3.07Å; W51-N55 PolarHBondContact O-ND2 2.89Å; W51-I76 HydrophobicContact CH2-CG2 3.65Å; W51-I76 HydrophobicContact CZ2-CG2 3.95Å; W51-V78 HydrophobicContact CH2-CG2 3.78Å; W51-V78 HydrophobicContact CZ3-CG2 3.69Å; W51-W140 HydrophobicContact CH2-CZ2 4.04Å; W51-W140 HydrophobicContact CZ3-CZ2 4.19Å
52	L	97.4	Very high	96.6	Very high	12 Å²	12	68.4 Å²	68.4	6%	0.063	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-43.1	176.1	-82.2	174.5	0	0	0	112	F48 D49 S54 N55 R56 E141 A144	F48-L52 HydrophobicContact CD1-CD1 3.78Å; F48-L52 HydrophobicContact CD1-CG 4.29Å; F48-L52 HydrophobicContact CE1-CD1 3.3Å; F48-L52 HydrophobicContact CE1-CG 3.9Å; F48-L52 HydrophobicContact CE2-CG 4.46Å; F48-L52 HydrophobicContact CZ-CD1 3.84Å; F48-L52 HydrophobicContact CZ-CD2 4.24Å; F48-L52 HydrophobicContact CZ-CG 4Å; F48-L52 PolarHBondContact O-N 2.92Å; D49-L52 PolarHBondContact O-N 3.31Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 3.01Å; L52-N55 CarbonylContact O-C 3.54Å; L52-N55 PolarHBondContact O-N 3Å; L52-R56 WeakPolarHBondContact O-CG 3.46Å; L52-R56 PolarHBondContact O-N 3.47Å; L52-E141 HydrophobicContact CD1-CB 4.35Å; L52-E141 HydrophobicContact CD1-CG 3.85Å; L52-A144 HydrophobicContact CD2-CB 4.19Å
53	E	96.8	Very high	96.4	Very high	126 Å²	126	65.8 Å²	65.8	59%	0.589	34%	0.335	S	S	*	.	H	α-helix	trans	-62.2	-40.1	178.5	-73.9	177.6	176.2	0	0	112.4	D49 W51	D49-E53 WeakPolarHBondContact O-CG 3.34Å; D49-E53 PolarHBondContact O-N 3.34Å; W51-E53 VanDerWaalsContact C-N 3.35Å; W51-E53 PolarHBondContact O-N 3.32Å
54	S	96.7	Very high	95.8	Very high	92 Å²	92	64.7 Å²	64.7	64%	0.643	33%	0.333	S	S	*	.	H	α-helix	trans	-78	-19.7	-178.9	-55.6	0	0	0	0	113.5	G50 W51 L52	G50-S54 WeakPolarHBondContact O-CB 3.36Å; G50-S54 PolarHBondContact O-N 3.12Å; G50-S54 VanDerWaalsContact O-N 3.09Å; G50-S54 PolarHBondContact O-OG 3.05Å; W51-S54 PolarHBondContact O-N 3.02Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 3.01Å
55	N	97.1	Very high	95	Very high	27 Å²	27	64.7 Å²	64.7	14%	0.144	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	40.9	-171.3	-59.1	-74.6	0	0	0	112.4	I36 W51 L52 I76	I36-N55 HydrophobicContact CG2-CB 4.11Å; I36-N55 VanDerWaalsContact CG2-OD1 3.3Å; I36-N55 WeakPolarHBondContact CG2-OD1 3.47Å; W51-N55 PolarHBondContact NE1-ND2 2.98Å; W51-N55 WeakPolarHBondContact O-CB 3.44Å; W51-N55 PolarHBondContact O-N 3.2Å; W51-N55 VanDerWaalsContact O-N 3.07Å; W51-N55 PolarHBondContact O-ND2 2.89Å; L52-N55 CarbonylContact O-C 3.54Å; L52-N55 PolarHBondContact O-N 3Å; N55-I76 HydrophobicContact CB-CG2 4.46Å
56	R	97.4	Very high	93.9	Very high	105 Å²	105	63.6 Å²	63.6	40%	0.396	33%	0.331	S	S	.	.			trans	-62.1	125.6	176.7	-68.3	-179	-178.7	-172.7	1.8	110.4	L52 S58 Q59 V60	L52-R56 WeakPolarHBondContact O-CG 3.46Å; L52-R56 PolarHBondContact O-N 3.47Å; R56-S58 PolarHBondContact O-N 2.94Å; R56-S58 VanDerWaalsContact O-N 3.17Å; R56-Q59 HydrophobicContact CB-CB 4.3Å; R56-Q59 HydrophobicContact CB-CG 4.28Å; R56-Q59 PolarHBondContact O-N 3.11Å; R56-V60 WeakPolarHBondContact O-CG2 3.36Å; R56-V60 PolarHBondContact O-N 3.12Å
57	P	97.2	Very high	92.9	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.5	-175.5	22	-31.9	0	0	0	113.2	Q59 I76 L136 D137 W140 V157 Y160 Q168	P57-Q59 PolarHBondContact O-N 3.46Å; P57-I76 HydrophobicContact CB-CD1 4.03Å; P57-L136 HydrophobicContact CB-CD2 4.09Å; P57-L136 HydrophobicContact CG-CD2 4.1Å; P57-L136 HydrophobicContact CG-CG 4.18Å; P57-D137 WeakPolarHBondContact CD-OD1 3.5Å; P57-D137 VanDerWaalsContact CG-OD1 3.31Å; P57-D137 WeakPolarHBondContact CG-OD1 3.29Å; P57-W140 VanDerWaalsContact CD-CD1 3.45Å; P57-W140 HydrophobicContact CG-CB 3.93Å; P57-W140 HydrophobicContact CG-CG 3.85Å; P57-V157 HydrophobicContact CB-CB 4.36Å; P57-V157 HydrophobicContact CB-CG1 3.71Å; P57-V157 HydrophobicContact CB-CG2 3.65Å; P57-V157 HydrophobicContact CG-CG1 4.1Å; P57-V157 HydrophobicContact CG-CG2 4.08Å; P57-Y160 PolarHBondContact O-N 3.42Å; P57-Q168 PolarHBondContact O-NE2 2.96Å
58	S	96.1	Very high	91.9	Very high	20 Å²	20	67 Å²	67	14%	0.14	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.8	174	70.4	0	0	0	0	114.2	R56 D137	R56-S58 PolarHBondContact O-N 2.94Å; R56-S58 VanDerWaalsContact O-N 3.17Å; S58-D137 VanDerWaalsContact CB-OD1 3.27Å; S58-D137 WeakPolarHBondContact CB-OD1 3.31Å; S58-D137 WeakPolarHBondContact CB-OD2 3.48Å; S58-D137 PolarHBondContact N-OD1 3.07Å; S58-D137 PolarHBondContact OG-OD1 2.92Å; S58-D137 VanDerWaalsContact OG-OD1 3.09Å; S58-D137 PolarHBondContact OG-OD2 2.87Å
59	Q	94.6	Very high	90.9	Very high	121 Å²	121	70.2 Å²	70.2	57%	0.565	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-17.4	-174.8	-62.7	-176.5	-21	0	0	113.6	R56 P57 Y61	R56-Q59 HydrophobicContact CB-CB 4.3Å; R56-Q59 HydrophobicContact CB-CG 4.28Å; R56-Q59 PolarHBondContact O-N 3.11Å; P57-Q59 PolarHBondContact O-N 3.46Å; Q59-Y61 VanDerWaalsContact O-CD2 3.23Å; Q59-Y61 WeakPolarHBondContact O-CD2 3.24Å; Q59-Y61 WeakPolarHBondContact O-CE2 3.34Å
60	V	94.9	Very high	90.2	Very high	19 Å²	19	70.1 Å²	70.1	12%	0.115	38%	0.38	C	S	.	.	S	Bend	trans	-83.9	119.6	173.5	175.4	0	0	0	0	109.1	I36 R56 V73 I76 P159 Y160	I36-V60 HydrophobicContact CD1-CG1 3.78Å; I36-V60 HydrophobicContact CD1-CG2 4.17Å; R56-V60 WeakPolarHBondContact O-CG2 3.36Å; R56-V60 PolarHBondContact O-N 3.12Å; V60-V73 HydrophobicContact CG1-CB 4.07Å; V60-V73 HydrophobicContact CG1-CG1 4.04Å; V60-V73 HydrophobicContact CG1-CG2 3.92Å; V60-I76 HydrophobicContact CB-CD1 3.73Å; V60-I76 HydrophobicContact CG1-CD1 3.99Å; V60-I76 HydrophobicContact CG1-CG1 4.29Å; V60-I76 HydrophobicContact CG2-CD1 3.77Å; V60-P159 HydrophobicContact CB-CB 4.47Å; V60-P159 HydrophobicContact CG1-CB 3.98Å; V60-P159 CarbonylContact O-C 3.58Å; V60-P159 VanDerWaalsContact O-CB 3.26Å; V60-P159 WeakPolarHBondContact O-CB 3.21Å; V60-Y160 PolarHBondContact O-N 2.85Å
61	Y	94.2	Very high	89.6	Confident	123 Å²	123	72 Å²	72	48%	0.482	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-89.4	136.7	-176.6	-75.2	-107	0	0	0	112.3	Q59 F63 G64 Y160	Q59-Y61 VanDerWaalsContact O-CD2 3.23Å; Q59-Y61 WeakPolarHBondContact O-CD2 3.24Å; Q59-Y61 WeakPolarHBondContact O-CE2 3.34Å; Y61-F63 VanDerWaalsContact C-N 3.31Å; Y61-F63 PolarHBondContact O-N 3.27Å; Y61-G64 PolarHBondContact O-N 3.07Å; Y61-Y160 CarbonylContact C-O 3.54Å; Y61-Y160 WeakPolarHBondContact CA-O 3.13Å; Y61-Y160 AromaticContact CD1-CD1 3.91Å; Y61-Y160 HydrophobicContact CD1-CD1 3.91Å; Y61-Y160 HydrophobicContact CD1-CE1 4.48Å; Y61-Y160 AromaticContact CE1-CD1 3.58Å; Y61-Y160 HydrophobicContact CE1-CD1 3.58Å; Y61-Y160 AromaticContact CE1-CE1 3.8Å; Y61-Y160 HydrophobicContact CE1-CE1 3.8Å; Y61-Y160 HydrophobicContact CE2-CD1 4.48Å; Y61-Y160 AromaticContact CZ-CD1 3.89Å
62	R	94.4	Very high	89.4	Confident	28 Å²	28	75 Å²	75	11%	0.106	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-44.7	179	174.1	63.3	-169.6	82.7	-4.5	112.8	A29 D33 V73 P159 Y160 N161	A29-R62 PolarHBondContact O-NH2 3.14Å; D33-R62 IonicContact OD2-CZ 2.76Å; D33-R62 IonicContact OD2-NH1 3.97Å; D33-R62 PolarHBondContact OD2-NH1 3.12Å; D33-R62 IonicContact OD2-NH2 3.61Å; D33-R62 PolarHBondContact OD2-NH2 3.07Å; R62-V73 VanDerWaalsContact CD-O 3.29Å; R62-V73 WeakPolarHBondContact CD-O 3.37Å; R62-V73 PolarHBondContact NH1-O 2.93Å; R62-V73 PolarHBondContact O-N 3.43Å; R62-V73 VanDerWaalsContact O-N 3.09Å; R62-P159 HydrophobicContact CB-CG 4.01Å; R62-Y160 PolarHBondContact N-O 2.87Å; R62-N161 HydrophobicContact CB-CB 4.08Å
63	F	91.3	Very high	89.3	Confident	73 Å²	73	74.9 Å²	74.9	32%	0.32	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	0.5	-173.6	-58.1	-63	0	0	0	113.5	Y61 N161	Y61-F63 VanDerWaalsContact C-N 3.31Å; Y61-F63 PolarHBondContact O-N 3.27Å; F63-N161 WeakPolarHBondContact CE2-OD1 3.37Å
64	G	83.9	Confident	89.3	Confident	20 Å²	20	69 Å²	69	21%	0.206	37%	0.371	C	S	.	.			trans	57.3	-152.5	-173.8	0	0	0	0	0	112.8	Y61 V70	Y61-G64 PolarHBondContact O-N 3.07Å; G64-V70 WeakPolarHBondContact CA-O 3.36Å
65	D	78.9	Confident	89.4	Confident	66 Å²	66	65.8 Å²	65.8	35%	0.353	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-147.3	89.4	176.7	-175.9	-13.9	0	0	0	106.4	D67 N68 G69 V70	D65-D67 PolarHBondContact O-N 3.29Å; D65-D67 PolarHBondContact OD1-N 3.28Å; D65-N68 HydrophobicContact CB-CB 4.26Å; D65-N68 CarbonylContact O-C 3.43Å; D65-N68 PolarHBondContact O-N 3.28Å; D65-N68 PolarHBondContact OD1-N 3.5Å; D65-N68 PolarHBondContact OD2-ND2 3.33Å; D65-G69 PolarHBondContact O-N 3.21Å; D65-G69 VanDerWaalsContact O-N 3.1Å; D65-V70 CarbonylContact C-O 3.55Å; D65-V70 HydrophobicContact CB-CB 4.14Å; D65-V70 HydrophobicContact CB-CG2 4.42Å; D65-V70 PolarHBondContact N-O 3.31Å; D65-V70 PolarHBondContact O-N 3.23Å
66	E	73.2	Confident	89.5	Confident	136 Å²	136	64.5 Å²	64.5	64%	0.636	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-60.1	-32.7	-174.1	-68.7	-177.7	-177.8	0	0	111.6	N68 G69 R72	E66-N68 PolarHBondContact O-N 2.93Å; E66-G69 PolarHBondContact O-N 3.45Å; E66-G69 VanDerWaalsContact O-N 3.11Å; E66-R72 IonicContact OE1-NH1 3.31Å; E66-R72 PolarHBondContact OE1-NH1 3.49Å
67	D	76.4	Confident	89.5	Confident	159 Å²	159	59.5 Å²	59.5	85%	0.85	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-66.7	-29	178.3	-66.7	-31.3	0	0	0	111.9	D65	D65-D67 PolarHBondContact O-N 3.29Å; D65-D67 PolarHBondContact OD1-N 3.28Å
68	N	76.3	Confident	89.6	Confident	125 Å²	125	59.5 Å²	59.5	67%	0.668	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-101.4	12.2	175.4	-70.2	-44.5	0	0	0	113.3	D65 E66 V70	D65-N68 HydrophobicContact CB-CB 4.26Å; D65-N68 CarbonylContact O-C 3.43Å; D65-N68 PolarHBondContact O-N 3.28Å; D65-N68 PolarHBondContact OD1-N 3.5Å; D65-N68 PolarHBondContact OD2-ND2 3.33Å; E66-N68 PolarHBondContact O-N 2.93Å; N68-V70 VanDerWaalsContact C-N 3.27Å; N68-V70 PolarHBondContact O-N 2.76Å
69	G	77.7	Confident	89.7	Confident	69 Å²	69	59.6 Å²	59.6	71%	0.711	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	16.9	177.5	0	0	0	0	0	114.7	D65 E66	D65-G69 PolarHBondContact O-N 3.21Å; D65-G69 VanDerWaalsContact O-N 3.1Å; E66-G69 PolarHBondContact O-N 3.45Å; E66-G69 VanDerWaalsContact O-N 3.11Å
70	V	82.6	Confident	89.8	Confident	77 Å²	77	53.8 Å²	53.8	47%	0.467	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-89.5	113.5	177.4	-178	0	0	0	0	108.9	G64 D65 N68	G64-V70 WeakPolarHBondContact CA-O 3.36Å; D65-V70 CarbonylContact C-O 3.55Å; D65-V70 HydrophobicContact CB-CB 4.14Å; D65-V70 HydrophobicContact CB-CG2 4.42Å; D65-V70 PolarHBondContact N-O 3.31Å; D65-V70 PolarHBondContact O-N 3.23Å; N68-V70 VanDerWaalsContact C-N 3.27Å; N68-V70 PolarHBondContact O-N 2.76Å
71	S	86.5	Confident	89.9	Confident	77 Å²	77	55.8 Å²	55.8	54%	0.538	31%	0.305	S	S	.	.			trans	-69.6	158.2	-178.5	60.5	0	0	0	0	113
72	R	93.7	Very high	89.7	Confident	99 Å²	99	55.2 Å²	55.2	37%	0.374	31%	0.31	S	S	.	.			trans	-57.6	146.5	166.1	-61.6	176.4	120.4	101.4	-4.7	110.5	D33 E66	D33-R72 HydrophobicContact CB-CB 4.45Å; E66-R72 IonicContact OE1-NH1 3.31Å; E66-R72 PolarHBondContact OE1-NH1 3.49Å
73	V	96.2	Very high	89.7	Confident	11 Å²	11	55.4 Å²	55.4	7%	0.067	31%	0.312	C	S	.	.			trans	-125.3	126.6	174.6	178.9	0	0	0	0	108	P34 I36 V60 R62 I76 P159	P34-V73 WeakPolarHBondContact O-CA 3.15Å; I36-V73 HydrophobicContact CD1-CG1 4.1Å; I36-V73 HydrophobicContact CD1-CG2 4Å; I36-V73 HydrophobicContact CG1-CG1 3.94Å; I36-V73 HydrophobicContact CG1-CG2 4.2Å; V60-V73 HydrophobicContact CG1-CB 4.07Å; V60-V73 HydrophobicContact CG1-CG1 4.04Å; V60-V73 HydrophobicContact CG1-CG2 3.92Å; R62-V73 VanDerWaalsContact CD-O 3.29Å; R62-V73 WeakPolarHBondContact CD-O 3.37Å; R62-V73 PolarHBondContact NH1-O 2.93Å; R62-V73 PolarHBondContact O-N 3.43Å; R62-V73 VanDerWaalsContact O-N 3.09Å; V73-I76 HydrophobicContact CG1-CG1 4.47Å; V73-P159 HydrophobicContact CB-CG 4.38Å; V73-P159 HydrophobicContact CG1-CB 4.44Å; V73-P159 HydrophobicContact CG1-CG 4.31Å; V73-P159 VanDerWaalsContact O-CG 3.31Å; V73-P159 WeakPolarHBondContact O-CG 3.17Å
74	G	96.6	Very high	89.4	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.01	32%	0.318	C	S	.	.	S	Bend	trans	-78.1	-54.2	174.4	0	0	0	0	0	111.9	A30 P34 P159	A30-G74 WeakPolarHBondContact O-CA 3.35Å; P34-G74 PolarHBondContact O-N 2.96Å; G74-P159 VanDerWaalsContact O-CD 3.23Å; G74-P159 WeakPolarHBondContact O-CD 3.2Å
75	W	98.3	Very high	89.3	Confident	25 Å²	25	58.6 Å²	58.6	10%	0.095	34%	0.337	C	S	.	.			trans	-147	154.4	-177.3	-69.3	95	0	0	0	111.9	D31 W35 I36 K156 S158 V169	D31-W75 PolarHBondContact OD1-NE1 2.54Å; W35-W75 CarbonylContact C-O 3.55Å; W35-W75 VanDerWaalsContact CA-O 3.24Å; W35-W75 WeakPolarHBondContact CA-O 3.4Å; W35-W75 WeakPolarHBondContact CB-O 3.35Å; W35-W75 HydrophobicContact CD2-CB 3.69Å; W35-W75 HydrophobicContact CD2-CG 4.25Å; W35-W75 AromaticContact CE2-CD1 3.39Å; W35-W75 AromaticContact CE2-CG 3.92Å; W35-W75 HydrophobicContact CE3-CB 4.08Å; W35-W75 HydrophobicContact CG-CB 3.88Å; W35-W75 HydrophobicContact CZ2-CB 4.41Å; W35-W75 AromaticContact CZ2-CD1 3.47Å; W35-W75 VanDerWaalsContact CZ2-CD1 3.47Å; W35-W75 HydrophobicContact CZ2-CG 4.1Å; W35-W75 AromaticContact NE1-CD1 3.47Å; I36-W75 PolarHBondContact N-O 3.45Å; W75-K156 HydrophobicContact CB-CB 4.48Å; W75-K156 HydrophobicContact CB-CD 4.41Å; W75-K156 HydrophobicContact CD2-CB 4.42Å; W75-K156 HydrophobicContact CD2-CD 3.57Å; W75-K156 HydrophobicContact CD2-CG 4Å; W75-K156 VanDerWaalsContact CE2-CE 3.44Å; W75-K156 VanDerWaalsContact CE2-NZ 3.31Å; W75-K156 HydrophobicContact CE3-CB 3.91Å; W75-K156 HydrophobicContact CE3-CD 3.68Å; W75-K156 HydrophobicContact CE3-CG 3.54Å; W75-K156 HydrophobicContact CG-CD 3.88Å; W75-K156 HydrophobicContact CZ3-CD 4.21Å; W75-K156 HydrophobicContact CZ3-CG 3.9Å; W75-S158 VanDerWaalsContact CZ3-N 3.31Å; W75-V169 HydrophobicContact CH2-CG1 3.88Å; W75-V169 HydrophobicContact CZ3-CG1 4.15Å
76	I	98.6	Very high	89.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.2	162.4	-48.3	171	0	0	0	106.6	I36 W51 N55 P57 V60 V73 W140 K156 V157	I36-I76 HydrophobicContact CB-CG1 4.38Å; I36-I76 HydrophobicContact CB-CG2 4.29Å; I36-I76 HydrophobicContact CD1-CG1 4.48Å; I36-I76 HydrophobicContact CG2-CG2 4.3Å; I36-I76 CarbonylContact O-C 3.56Å; I36-I76 VanDerWaalsContact O-CA 3.28Å; I36-I76 WeakPolarHBondContact O-CA 3.39Å; W51-I76 HydrophobicContact CH2-CG2 3.65Å; W51-I76 HydrophobicContact CZ2-CG2 3.95Å; N55-I76 HydrophobicContact CB-CG2 4.46Å; P57-I76 HydrophobicContact CB-CD1 4.03Å; V60-I76 HydrophobicContact CB-CD1 3.73Å; V60-I76 HydrophobicContact CG1-CD1 3.99Å; V60-I76 HydrophobicContact CG1-CG1 4.29Å; V60-I76 HydrophobicContact CG2-CD1 3.77Å; V73-I76 HydrophobicContact CG1-CG1 4.47Å; I76-W140 HydrophobicContact CB-CZ2 4.49Å; I76-W140 HydrophobicContact CG2-CZ2 3.87Å; I76-K156 CarbonylContact O-C 3.58Å; I76-K156 WeakPolarHBondContact O-CA 3.37Å; I76-K156 WeakPolarHBondContact O-CB 3.48Å; I76-V157 HydrophobicContact CB-CG1 3.78Å; I76-V157 HydrophobicContact CD1-CG1 4.28Å; I76-V157 HydrophobicContact CG1-CG1 4.46Å; I76-V157 HydrophobicContact CG2-CG1 4.42Å; I76-V157 PolarHBondContact N-O 2.91Å; I76-V157 PolarHBondContact O-N 2.81Å
77	A	98.6	Very high	89.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.7	-171.1	0	0	0	0	0	113	W35 I36 V37 F38 L154 V155 K156	W35-A77 HydrophobicContact CE3-CB 3.99Å; W35-A77 HydrophobicContact CZ3-CB 4.37Å; I36-A77 PolarHBondContact O-N 3.14Å; V37-A77 WeakPolarHBondContact CA-O 3.33Å; V37-A77 HydrophobicContact CG2-CB 4.43Å; F38-A77 PolarHBondContact N-O 3.34Å; A77-L154 HydrophobicContact CB-CD1 4.3Å; A77-V155 VanDerWaalsContact CA-O 3.32Å; A77-V155 WeakPolarHBondContact CA-O 3.33Å; A77-K156 HydrophobicContact CB-CB 3.97Å
78	V	98.6	Very high	90.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.1	167.8	-178.2	0	0	0	0	108.5	F38 F48 W51 W140 A144 A147 V155	F38-V78 HydrophobicContact CB-CG2 4.18Å; F38-V78 HydrophobicContact CD1-CG1 4.38Å; F38-V78 WeakPolarHBondContact O-CA 3.23Å; F48-V78 HydrophobicContact CE2-CG1 4.09Å; F48-V78 HydrophobicContact CE2-CG2 3.98Å; F48-V78 HydrophobicContact CZ-CG2 4.41Å; W51-V78 HydrophobicContact CH2-CG2 3.78Å; W51-V78 HydrophobicContact CZ3-CG2 3.69Å; V78-W140 HydrophobicContact CG2-CH2 3.93Å; V78-W140 HydrophobicContact CG2-CZ2 3.88Å; V78-A144 HydrophobicContact CG2-CB 3.88Å; V78-A147 HydrophobicContact CB-CB 4.35Å; V78-A147 HydrophobicContact CG1-CB 4.04Å; V78-V155 HydrophobicContact CB-CG2 3.9Å; V78-V155 HydrophobicContact CG2-CG2 4.47Å; V78-V155 PolarHBondContact N-O 3.41Å; V78-V155 PolarHBondContact O-N 2.96Å; V78-V155 VanDerWaalsContact O-N 3.15Å
79	L	98.2	Very high	91.4	Very high	22 Å²	22	49.7 Å²	49.7	12%	0.115	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.1	173.3	-49.4	-176	0	0	0	107.8	V37 F38 D39 S40 H83 L154	V37-L79 HydrophobicContact CG1-CD1 3.95Å; V37-L79 HydrophobicContact CG1-CG 3.86Å; F38-L79 PolarHBondContact O-N 3.44Å; D39-L79 HydrophobicContact CB-CD1 4.24Å; S40-L79 VanDerWaalsContact CB-O 3.31Å; S40-L79 WeakPolarHBondContact CB-O 3.44Å; S40-L79 PolarHBondContact N-O 3.47Å; S40-L79 PolarHBondContact OG-O 2.92Å; L79-H83 HydrophobicContact CB-CB 4.08Å; L79-L154 HydrophobicContact CD2-CD1 3.47Å; L79-L154 VanDerWaalsContact CD2-CD1 3.47Å
80	G	97	Very high	92.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.284	C	S	.	.			trans	-70.5	165.5	175.3	0	0	0	0	0	112.1	S40 N82 H83 A147 S153	S40-G80 WeakPolarHBondContact OG-CA 3.08Å; G80-N82 PolarHBondContact O-N 3.47Å; G80-N82 VanDerWaalsContact O-N 3.16Å; G80-H83 WeakPolarHBondContact O-CB 3.24Å; G80-H83 PolarHBondContact O-N 3.02Å; G80-A147 WeakPolarHBondContact CA-O 3.28Å; G80-S153 PolarHBondContact N-O 3.45Å
81	P	95.9	Very high	93	Very high	61 Å²	61	48.6 Å²	48.6	40%	0.396	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.7	-179.6	23.8	-34.6	0	0	0	112.1	S40 H83 A147	S40-P81 VanDerWaalsContact OG-CD 3.28Å; S40-P81 WeakPolarHBondContact OG-CD 3.36Å; P81-H83 VanDerWaalsContact C-N 3.29Å; P81-H83 PolarHBondContact O-N 3.41Å; P81-A147 WeakPolarHBondContact CD-O 3.39Å
82	N	91.3	Very high	93.6	Very high	110 Å²	110	45.2 Å²	45.2	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	10.4	177.5	-58.7	-31.4	0	0	0	112.9	G80 C84 G150	G80-N82 PolarHBondContact O-N 3.47Å; G80-N82 VanDerWaalsContact O-N 3.16Å; N82-C84 PolarHBondContact O-N 3.01Å; N82-G150 PolarHBondContact ND2-O 3.31Å
83	H	92.9	Very high	93.8	Very high	33 Å²	33	40.5 Å²	40.5	15%	0.153	25%	0.247	C	C	.	.			trans	-69.5	114.8	179.9	-175	61.3	0	0	0	111.2	R41 L79 G80 P81 S153	R41-H83 PolarHBondContact NH1-O 2.95Å; L79-H83 HydrophobicContact CB-CB 4.08Å; G80-H83 WeakPolarHBondContact O-CB 3.24Å; G80-H83 PolarHBondContact O-N 3.02Å; P81-H83 VanDerWaalsContact C-N 3.29Å; P81-H83 PolarHBondContact O-N 3.41Å; H83-S153 VanDerWaalsContact CB-O 3.32Å; H83-S153 WeakPolarHBondContact CB-O 3.47Å; H83-S153 PolarHBondContact ND1-O 3.46Å
84	C	85.8	Confident	93.9	Very high	67 Å²	67	44.2 Å²	44.2	45%	0.453	26%	0.264	S	S	.	.			trans	-112.9	132.4	163.9	53.3	0	0	0	0	109.4	N82 Q175	N82-C84 PolarHBondContact O-N 3.01Å; C84-Q175 PolarHBondContact O-NE2 3.45Å; C84-Q175 PolarHBondContact SG-NE2 3.2Å
85	P	82.1	Confident	93.9	Very high	92 Å²	92	49.1 Å²	49.1	60%	0.597	29%	0.286	S	S	*	.			trans	-60.4	144	170.2	-20.7	32.3	0	0	0	110.9
86	S	79.2	Confident	93.9	Very high	57 Å²	57	49.3 Å²	49.3	40%	0.399	29%	0.291	S	S	.	.			trans	-63.8	136.3	171.8	-179.7	0	0	0	0	110.2	G88	S86-G88 PolarHBondContact OG-N 3.44Å
87	T	81.7	Confident	93.9	Very high	144 Å²	144	50.1 Å²	50.1	88%	0.883	29%	0.294	S	S	*	.			trans	-103.4	12.9	177.9	60.9	0	0	0	0	112.6
88	G	91.6	Very high	93.9	Very high	17 Å²	17	54.9 Å²	54.9	18%	0.175	32%	0.32	C	S	.	.			trans	-66	148.7	-178	0	0	0	0	0	113.3	S86 V90 H119 G120	S86-G88 PolarHBondContact OG-N 3.44Å; G88-V90 PolarHBondContact O-N 3.5Å; G88-V90 VanDerWaalsContact O-N 3.1Å; G88-H119 CarbonylContact C-O 3.54Å; G88-H119 WeakPolarHBondContact CA-O 3.13Å; G88-G120 WeakPolarHBondContact CA-O 3.09Å
89	D	96.8	Very high	93.8	Very high	81 Å²	81	61.3 Å²	61.3	43%	0.433	35%	0.348	S	S	.	.			trans	-81.3	83.2	177.7	-176.9	9.9	0	0	0	111	T91 G92 L93 H119	D89-T91 VanDerWaalsContact C-N 3.29Å; D89-T91 PolarHBondContact O-N 3.42Å; D89-T91 PolarHBondContact OD1-N 3.44Å; D89-G92 VanDerWaalsContact CG-N 3.33Å; D89-G92 PolarHBondContact OD1-N 2.91Å; D89-G92 WeakPolarHBondContact OD2-CA 3.35Å; D89-L93 VanDerWaalsContact O-CB 3.28Å; D89-L93 WeakPolarHBondContact O-CB 3.39Å; D89-L93 PolarHBondContact O-N 3.02Å; D89-H119 HydrophobicContact CB-CB 4.38Å; D89-H119 PolarHBondContact N-O 3.45Å; D89-H119 IonicContact OD2-ND1 3.86Å
90	V	96.3	Very high	93.8	Very high	36 Å²	36	60.8 Å²	60.8	22%	0.218	35%	0.345	C	S	.	.	H	α-helix	trans	-65.3	-33.9	178.9	179.9	0	0	0	0	111.6	G88 L93 Q94 V121 Y208	G88-V90 PolarHBondContact O-N 3.5Å; G88-V90 VanDerWaalsContact O-N 3.1Å; V90-L93 WeakPolarHBondContact O-CB 3.13Å; V90-L93 PolarHBondContact O-N 2.81Å; V90-Q94 WeakPolarHBondContact O-CG 3.33Å; V90-Q94 PolarHBondContact O-N 3.24Å; V90-V121 HydrophobicContact CG2-CG2 4.27Å; V90-Y208 HydrophobicContact CG1-CD1 3.68Å; V90-Y208 HydrophobicContact CG1-CE1 4.12Å; V90-Y208 HydrophobicContact CG1-CG 3.93Å; V90-Y208 HydrophobicContact CG2-CD1 4.35Å; V90-Y208 HydrophobicContact CG2-CD2 4.32Å; V90-Y208 HydrophobicContact CG2-CE1 4.13Å; V90-Y208 HydrophobicContact CG2-CE2 4.06Å; V90-Y208 HydrophobicContact CG2-CG 4.45Å
91	T	97.1	Very high	93.8	Very high	88 Å²	88	64.2 Å²	64.2	54%	0.54	36%	0.363	S	S	.	.	H	α-helix	trans	-68.3	-50.3	178.9	-58.4	0	0	0	0	110.8	D89 L93 Q94 E95	D89-T91 VanDerWaalsContact C-N 3.29Å; D89-T91 PolarHBondContact O-N 3.42Å; D89-T91 PolarHBondContact OD1-N 3.44Å; T91-L93 VanDerWaalsContact C-N 3.26Å; T91-L93 PolarHBondContact O-N 2.76Å; T91-Q94 PolarHBondContact O-N 3.44Å; T91-Q94 VanDerWaalsContact O-N 3.12Å; T91-E95 PolarHBondContact O-N 3.1Å
92	G	98.3	Very high	93.8	Very high	6 Å²	6	65.4 Å²	65.4	6%	0.062	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-34	175.3	0	0	0	0	0	113.1	D89 E95 S96 H119	D89-G92 VanDerWaalsContact CG-N 3.33Å; D89-G92 PolarHBondContact OD1-N 2.91Å; D89-G92 WeakPolarHBondContact OD2-CA 3.35Å; G92-E95 PolarHBondContact O-N 3.06Å; G92-S96 VanDerWaalsContact O-CB 3.32Å; G92-S96 WeakPolarHBondContact O-CB 3.28Å; G92-S96 PolarHBondContact O-N 3.47Å; G92-S96 PolarHBondContact O-OG 3.43Å; G92-H119 PolarHBondContact O-CE1 2.98Å; G92-H119 PolarHBondContact O-NE2 3.22Å
93	L	98.4	Very high	94	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-58.7	-49.8	171.2	170.1	67	0	0	0	111.4	D89 V90 T91 S96 W97 L115 H119 V121 V205 L209	D89-L93 VanDerWaalsContact O-CB 3.28Å; D89-L93 WeakPolarHBondContact O-CB 3.39Å; D89-L93 PolarHBondContact O-N 3.02Å; V90-L93 WeakPolarHBondContact O-CB 3.13Å; V90-L93 PolarHBondContact O-N 2.81Å; T91-L93 VanDerWaalsContact C-N 3.26Å; T91-L93 PolarHBondContact O-N 2.76Å; L93-S96 PolarHBondContact O-N 2.91Å; L93-W97 WeakPolarHBondContact O-CB 3.18Å; L93-W97 PolarHBondContact O-N 3.49Å; L93-L115 HydrophobicContact CD1-CB 3.73Å; L93-H119 VanDerWaalsContact CA-CD2 3.5Å; L93-H119 WeakPolarHBondContact CA-CD2 3.32Å; L93-H119 HydrophobicContact CB-CB 3.99Å; L93-H119 PolarHBondContact N-ND1 3.01Å; L93-V121 HydrophobicContact CB-CG2 4.29Å; L93-V121 HydrophobicContact CD2-CB 4.02Å; L93-V121 HydrophobicContact CD2-CG1 3.93Å; L93-V121 HydrophobicContact CD2-CG2 3.86Å; L93-V205 HydrophobicContact CD1-CG2 3.95Å; L93-V205 HydrophobicContact CD2-CG2 3.92Å; L93-L209 HydrophobicContact CD1-CD1 4.34Å; L93-L209 HydrophobicContact CD1-CD2 4.2Å; L93-L209 HydrophobicContact CD2-CD2 4.21Å; L93-L209 HydrophobicContact CD2-CG 4.43Å; L93-L209 HydrophobicContact CG-CD2 3.87Å; L93-L209 HydrophobicContact CG-CG 4.47Å
94	Q	97.8	Very high	93.9	Very high	89 Å²	89	66.7 Å²	66.7	42%	0.416	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-43.7	179.4	-73.1	173.1	-28.6	0	0	111.7	V90 T91 S96 W97 D98	V90-Q94 WeakPolarHBondContact O-CG 3.33Å; V90-Q94 PolarHBondContact O-N 3.24Å; T91-Q94 PolarHBondContact O-N 3.44Å; T91-Q94 VanDerWaalsContact O-N 3.12Å; Q94-S96 VanDerWaalsContact C-N 3.32Å; Q94-S96 PolarHBondContact O-N 2.6Å; Q94-W97 WeakPolarHBondContact O-CB 3.32Å; Q94-W97 PolarHBondContact O-N 3.09Å; Q94-D98 PolarHBondContact O-N 2.95Å
95	E	98.3	Very high	94.3	Very high	104 Å²	104	70 Å²	70	49%	0.486	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-39.5	175.6	-68.3	-178.8	-176.5	0	0	112.7	T91 G92 W97 D98 K99	T91-E95 PolarHBondContact O-N 3.1Å; G92-E95 PolarHBondContact O-N 3.06Å; E95-W97 VanDerWaalsContact C-N 3.32Å; E95-D98 PolarHBondContact O-N 3.33Å; E95-K99 WeakPolarHBondContact O-CG 3.34Å; E95-K99 PolarHBondContact O-N 3.16Å; E95-K99 VanDerWaalsContact O-N 3.14Å
96	S	98.4	Very high	94.9	Very high	29 Å²	29	70 Å²	70	20%	0.203	40%	0.403	C	S	.	.	H	α-helix	trans	-71.9	-30.8	178.6	-60.7	0	0	0	0	112	G92 L93 Q94 L100 H119	G92-S96 VanDerWaalsContact O-CB 3.32Å; G92-S96 WeakPolarHBondContact O-CB 3.28Å; G92-S96 PolarHBondContact O-N 3.47Å; G92-S96 PolarHBondContact O-OG 3.43Å; L93-S96 PolarHBondContact O-N 2.91Å; Q94-S96 VanDerWaalsContact C-N 3.32Å; Q94-S96 PolarHBondContact O-N 2.6Å; S96-L100 PolarHBondContact O-N 2.98Å; S96-H119 WeakPolarHBondContact CB-NE2 3.37Å; S96-H119 PolarHBondContact OG-CE1 3.41Å; S96-H119 PolarHBondContact OG-NE2 3.03Å
97	W	98	Very high	95.8	Very high	17 Å²	17	68.3 Å²	68.3	6%	0.064	39%	0.39	C	S	.	.	H	α-helix	trans	-64.8	-47.2	171.3	177.2	-116.5	0	0	0	111.9	L93 Q94 E95 K99 L100 L101 V107 V112 L115 L209 I211 W217	L93-W97 WeakPolarHBondContact O-CB 3.18Å; L93-W97 PolarHBondContact O-N 3.49Å; Q94-W97 WeakPolarHBondContact O-CB 3.32Å; Q94-W97 PolarHBondContact O-N 3.09Å; E95-W97 VanDerWaalsContact C-N 3.32Å; W97-K99 VanDerWaalsContact C-N 3.29Å; W97-K99 PolarHBondContact O-N 3.38Å; W97-L100 HydrophobicContact CE3-CD2 3.85Å; W97-L100 HydrophobicContact CZ3-CD2 3.71Å; W97-L100 WeakPolarHBondContact O-CA 3.5Å; W97-L100 WeakPolarHBondContact O-CB 3.32Å; W97-L100 PolarHBondContact O-N 2.94Å; W97-L101 HydrophobicContact CD2-CG 4.32Å; W97-L101 HydrophobicContact CH2-CD2 4.32Å; W97-L101 HydrophobicContact CZ2-CD1 4.45Å; W97-L101 HydrophobicContact CZ2-CD2 3.97Å; W97-L101 HydrophobicContact CZ2-CG 4.42Å; W97-L101 WeakPolarHBondContact O-CG 3.32Å; W97-L101 PolarHBondContact O-N 3.07Å; W97-V107 HydrophobicContact CH2-CB 4.39Å; W97-V107 HydrophobicContact CH2-CG1 3.51Å; W97-V107 HydrophobicContact CH2-CG2 3.94Å; W97-V107 HydrophobicContact CZ3-CG1 4.03Å; W97-V107 HydrophobicContact CZ3-CG2 4.15Å; W97-V112 HydrophobicContact CH2-CG2 4.26Å; W97-V112 HydrophobicContact CZ3-CG2 3.81Å; W97-L115 HydrophobicContact CB-CD1 4.41Å; W97-L115 HydrophobicContact CE3-CD1 3.75Å; W97-L115 HydrophobicContact CZ3-CD1 4.47Å; W97-L209 HydrophobicContact CB-CD2 3.55Å; W97-L209 HydrophobicContact CD2-CB 4.44Å; W97-L209 HydrophobicContact CD2-CD1 3.87Å; W97-L209 HydrophobicContact CD2-CD2 4.05Å; W97-L209 HydrophobicContact CD2-CG 4.34Å; W97-L209 HydrophobicContact CE3-CD1 3.77Å; W97-L209 HydrophobicContact CG-CD1 4.25Å; W97-L209 HydrophobicContact CG-CD2 3.54Å; W97-L209 HydrophobicContact CG-CG 4.33Å; W97-L209 HydrophobicContact CZ3-CD1 4.16Å; W97-I211 HydrophobicContact CH2-CD1 4.16Å; W97-I211 HydrophobicContact CZ2-CD1 4.48Å; W97-W217 HydrophobicContact CH2-CZ2 4.32Å; W97-W217 HydrophobicContact CZ2-CD2 4.42Å; W97-W217 AromaticContact CZ2-CE2 3.97Å; W97-W217 HydrophobicContact CZ2-CE3 4.41Å; W97-W217 AromaticContact CZ2-CH2 3.59Å; W97-W217 HydrophobicContact CZ2-CH2 3.59Å; W97-W217 AromaticContact CZ2-CZ2 3.54Å; W97-W217 HydrophobicContact CZ2-CZ2 3.54Å; W97-W217 HydrophobicContact CZ2-CZ3 4.02Å
98	D	97.8	Very high	96.6	Very high	99 Å²	99	64 Å²	64	53%	0.529	36%	0.363	S	S	.	.	H	α-helix	trans	-59.6	-41.1	176.6	-69.3	-20.6	0	0	0	111.8	Q94 E95 L100 L101 A102	Q94-D98 PolarHBondContact O-N 2.95Å; E95-D98 PolarHBondContact O-N 3.33Å; D98-L100 VanDerWaalsContact C-N 3.34Å; D98-L100 PolarHBondContact O-N 3Å; D98-L101 PolarHBondContact O-N 3.47Å; D98-A102 WeakPolarHBondContact O-CB 3.35Å; D98-A102 PolarHBondContact O-N 2.74Å
99	K	98.1	Very high	96.9	Very high	135 Å²	135	65 Å²	65	59%	0.587	36%	0.363	S	S	*	.	H	α-helix	trans	-61.6	-41	173.1	-70.7	167.5	-171.9	160.9	0	112	E95 W97 A102 S103	E95-K99 WeakPolarHBondContact O-CG 3.34Å; E95-K99 PolarHBondContact O-N 3.16Å; E95-K99 VanDerWaalsContact O-N 3.14Å; W97-K99 VanDerWaalsContact C-N 3.29Å; W97-K99 PolarHBondContact O-N 3.38Å; K99-A102 PolarHBondContact O-N 2.8Å; K99-S103 WeakPolarHBondContact O-CB 3.28Å; K99-S103 PolarHBondContact O-N 3.26Å
100	L	97.4	Very high	96.9	Very high	11 Å²	11	65.5 Å²	65.5	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-62.1	-47.2	175.9	-177.7	69.9	0	0	0	110.6	S96 W97 D98 A102 S103 R105 V107 L115	S96-L100 PolarHBondContact O-N 2.98Å; W97-L100 HydrophobicContact CE3-CD2 3.85Å; W97-L100 HydrophobicContact CZ3-CD2 3.71Å; W97-L100 WeakPolarHBondContact O-CA 3.5Å; W97-L100 WeakPolarHBondContact O-CB 3.32Å; W97-L100 PolarHBondContact O-N 2.94Å; D98-L100 VanDerWaalsContact C-N 3.34Å; D98-L100 PolarHBondContact O-N 3Å; L100-A102 VanDerWaalsContact C-N 3.33Å; L100-A102 PolarHBondContact O-N 2.79Å; L100-S103 PolarHBondContact O-N 3.43Å; L100-S103 VanDerWaalsContact O-N 3.11Å; L100-S103 PolarHBondContact O-OG 3.09Å; L100-R105 HydrophobicContact CD1-CB 3.73Å; L100-V107 HydrophobicContact CD2-CG2 4.32Å; L100-L115 HydrophobicContact CD2-CD1 4.09Å
101	L	96.3	Very high	97	Very high	72 Å²	72	64.5 Å²	64.5	38%	0.377	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-40.6	178.3	-65.5	-179.2	0	0	0	112.1	W97 D98 S103 V107 W217	W97-L101 HydrophobicContact CD2-CG 4.32Å; W97-L101 HydrophobicContact CH2-CD2 4.32Å; W97-L101 HydrophobicContact CZ2-CD1 4.45Å; W97-L101 HydrophobicContact CZ2-CD2 3.97Å; W97-L101 HydrophobicContact CZ2-CG 4.42Å; W97-L101 WeakPolarHBondContact O-CG 3.32Å; W97-L101 PolarHBondContact O-N 3.07Å; D98-L101 PolarHBondContact O-N 3.47Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 2.61Å; L101-V107 HydrophobicContact CD2-CG2 3.93Å; L101-W217 HydrophobicContact CD1-CZ2 4.38Å; L101-W217 HydrophobicContact CD2-CZ2 3.77Å
102	A	97.1	Very high	97.1	Very high	86 Å²	86	60.3 Å²	60.3	71%	0.711	33%	0.33	S	S	*	.	H	α-helix	trans	-69.9	-25.5	176.2	0	0	0	0	0	113.5	D98 K99 L100 S104	D98-A102 WeakPolarHBondContact O-CB 3.35Å; D98-A102 PolarHBondContact O-N 2.74Å; K99-A102 PolarHBondContact O-N 2.8Å; L100-A102 VanDerWaalsContact C-N 3.33Å; L100-A102 PolarHBondContact O-N 2.79Å; A102-S104 VanDerWaalsContact C-N 3.28Å; A102-S104 PolarHBondContact O-N 2.89Å
103	S	95.3	Very high	97.1	Very high	56 Å²	56	62.8 Å²	62.8	39%	0.392	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.4	-173.9	73.6	0	0	0	0	115.3	K99 L100 L101 R105	K99-S103 WeakPolarHBondContact O-CB 3.28Å; K99-S103 PolarHBondContact O-N 3.26Å; L100-S103 PolarHBondContact O-N 3.43Å; L100-S103 VanDerWaalsContact O-N 3.11Å; L100-S103 PolarHBondContact O-OG 3.09Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 2.61Å; S103-R105 PolarHBondContact O-N 2.92Å; S103-R105 WeakPolarHBondContact OG-CB 3.46Å; S103-R105 WeakPolarHBondContact OG-CG 3.28Å; S103-R105 PolarHBondContact OG-N 2.88Å
104	S	89.4	Confident	97.1	Very high	115 Å²	115	66.2 Å²	66.2	80%	0.804	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	9.3	-171.4	-52.9	0	0	0	0	115.2	A102	A102-S104 VanDerWaalsContact C-N 3.28Å; A102-S104 PolarHBondContact O-N 2.89Å
105	R	94.8	Very high	97.1	Very high	136 Å²	136	62.9 Å²	62.9	51%	0.513	34%	0.341	S	S	.	.			trans	-66.4	147.5	171.9	-72	176.5	62.8	-166.8	-2.5	109.8	L100 S103 V107	L100-R105 HydrophobicContact CD1-CB 3.73Å; S103-R105 PolarHBondContact O-N 2.92Å; S103-R105 WeakPolarHBondContact OG-CB 3.46Å; S103-R105 WeakPolarHBondContact OG-CG 3.28Å; S103-R105 PolarHBondContact OG-N 2.88Å; R105-V107 PolarHBondContact O-N 3.16Å
106	P	95.6	Very high	97.1	Very high	93 Å²	93	57.9 Å²	57.9	60%	0.604	32%	0.317	S	S	*	.			trans	-66.4	135.2	-180	28	-35	0	0	0	111	T108 T111	P106-T108 HydrophobicContact CB-CG2 4.17Å; P106-T108 PolarHBondContact O-N 2.78Å; P106-T111 PolarHBondContact O-OG1 3.09Å
107	V	97.6	Very high	97.1	Very high	21 Å²	21	60.4 Å²	60.4	13%	0.127	33%	0.328	C	S	.	.			trans	-83.7	109.3	171.1	170.3	0	0	0	0	108.7	W97 L100 L101 R105 W217 L219	W97-V107 HydrophobicContact CH2-CB 4.39Å; W97-V107 HydrophobicContact CH2-CG1 3.51Å; W97-V107 HydrophobicContact CH2-CG2 3.94Å; W97-V107 HydrophobicContact CZ3-CG1 4.03Å; W97-V107 HydrophobicContact CZ3-CG2 4.15Å; L100-V107 HydrophobicContact CD2-CG2 4.32Å; L101-V107 HydrophobicContact CD2-CG2 3.93Å; R105-V107 PolarHBondContact O-N 3.16Å; V107-W217 HydrophobicContact CB-CB 4.15Å; V107-W217 VanDerWaalsContact CB-CD1 3.45Å; V107-W217 HydrophobicContact CB-CG 3.78Å; V107-W217 HydrophobicContact CG1-CB 3.77Å; V107-W217 HydrophobicContact CG1-CD2 3.94Å; V107-W217 HydrophobicContact CG1-CG 3.48Å; V107-W217 VanDerWaalsContact CG1-CG 3.48Å; V107-W217 HydrophobicContact CG2-CG 4.27Å; V107-L219 HydrophobicContact CG1-CD1 3.73Å; V107-L219 HydrophobicContact CG1-CG 4.49Å
108	T	97.8	Very high	97.1	Very high	53 Å²	53	65.6 Å²	65.6	33%	0.325	36%	0.357	S	S	.	.			trans	-129.5	167.3	-179.3	66.9	0	0	0	0	110.6	P106 Q110 T111 V112	P106-T108 HydrophobicContact CB-CG2 4.17Å; P106-T108 PolarHBondContact O-N 2.78Å; T108-Q110 PolarHBondContact O-N 3.28Å; T108-Q110 PolarHBondContact OG1-N 3.39Å; T108-T111 PolarHBondContact N-OG1 3.31Å; T108-T111 PolarHBondContact O-N 3.1Å; T108-T111 PolarHBondContact O-OG1 3.32Å; T108-T111 PolarHBondContact OG1-N 3.01Å; T108-T111 PolarHBondContact OG1-OG1 3.15Å; T108-V112 WeakPolarHBondContact O-CG2 3.45Å; T108-V112 PolarHBondContact O-N 2.6Å; T108-V112 VanDerWaalsContact O-N 3.11Å
109	F	97.8	Very high	97.2	Very high	38 Å²	38	62.4 Å²	62.4	17%	0.167	34%	0.339	C	S	.	.	H	α-helix	trans	-54.3	-42.5	170.1	168.4	-104	0	0	0	111.7	T111 V112 K113 F177 Y206 I223 V243	F109-T111 PolarHBondContact O-N 3.15Å; F109-V112 PolarHBondContact O-N 3.38Å; F109-K113 HydrophobicContact CE1-CB 4.44Å; F109-K113 HydrophobicContact CE1-CD 3.88Å; F109-K113 HydrophobicContact CE2-CB 4.5Å; F109-K113 HydrophobicContact CZ-CB 4.32Å; F109-K113 HydrophobicContact CZ-CD 3.9Å; F109-K113 VanDerWaalsContact O-CB 3.29Å; F109-K113 WeakPolarHBondContact O-CB 3.28Å; F109-K113 PolarHBondContact O-N 2.68Å; F109-F177 HydrophobicContact CE2-CE2 4.45Å; F109-Y206 WeakPolarHBondContact CD2-OH 2.79Å; F109-I223 HydrophobicContact CD2-CG2 3.89Å; F109-I223 HydrophobicContact CE2-CB 4.39Å; F109-I223 HydrophobicContact CE2-CD1 4.11Å; F109-I223 HydrophobicContact CE2-CG2 3.74Å; F109-I223 HydrophobicContact CZ-CD1 4.45Å; F109-V243 HydrophobicContact CB-CG1 4.33Å; F109-V243 HydrophobicContact CB-CG2 4.36Å; F109-V243 HydrophobicContact CD1-CB 4.17Å; F109-V243 HydrophobicContact CD1-CG1 3.38Å; F109-V243 HydrophobicContact CD1-CG2 3.79Å; F109-V243 HydrophobicContact CD2-CG2 3.92Å; F109-V243 HydrophobicContact CE1-CB 4.32Å; F109-V243 HydrophobicContact CE1-CG1 3.83Å; F109-V243 HydrophobicContact CE1-CG2 3.95Å; F109-V243 HydrophobicContact CE2-CG2 4.1Å; F109-V243 HydrophobicContact CG-CG1 3.96Å; F109-V243 HydrophobicContact CG-CG2 3.73Å; F109-V243 HydrophobicContact CZ-CG2 4.09Å
110	Q	98.1	Very high	97.1	Very high	92 Å²	92	57.5 Å²	57.5	43%	0.43	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-43.2	-176	-177	54.4	35.2	0	0	111.9	T108 V112 K113 E114	T108-Q110 PolarHBondContact O-N 3.28Å; T108-Q110 PolarHBondContact OG1-N 3.39Å; Q110-V112 VanDerWaalsContact C-N 3.34Å; Q110-V112 PolarHBondContact O-N 3Å; Q110-K113 PolarHBondContact O-N 3Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.38Å; Q110-E114 PolarHBondContact NE2-OE1 2.98Å; Q110-E114 WeakPolarHBondContact O-CG 3.42Å; Q110-E114 PolarHBondContact O-N 3.27Å
111	T	98	Very high	97.2	Very high	14 Å²	14	57 Å²	57	9%	0.086	32%	0.324	C	S	.	.	H	α-helix	trans	-65.7	-37.5	176.3	52.5	0	0	0	0	112	P106 T108 F109 E114 L115	P106-T111 PolarHBondContact O-OG1 3.09Å; T108-T111 PolarHBondContact N-OG1 3.31Å; T108-T111 PolarHBondContact O-N 3.1Å; T108-T111 PolarHBondContact O-OG1 3.32Å; T108-T111 PolarHBondContact OG1-N 3.01Å; T108-T111 PolarHBondContact OG1-OG1 3.15Å; F109-T111 PolarHBondContact O-N 3.15Å; T111-E114 PolarHBondContact O-N 3.29Å; T111-L115 WeakPolarHBondContact O-CG 3.44Å; T111-L115 PolarHBondContact O-N 3.44Å; T111-L115 VanDerWaalsContact O-N 3.14Å
112	V	98.3	Very high	97.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-71.1	-37.9	176.7	178.2	0	0	0	0	111.4	W97 T108 F109 Q110 E114 L115 A116 V205 Y206 L209 I211 L219	W97-V112 HydrophobicContact CH2-CG2 4.26Å; W97-V112 HydrophobicContact CZ3-CG2 3.81Å; T108-V112 WeakPolarHBondContact O-CG2 3.45Å; T108-V112 PolarHBondContact O-N 2.6Å; T108-V112 VanDerWaalsContact O-N 3.11Å; F109-V112 PolarHBondContact O-N 3.38Å; Q110-V112 VanDerWaalsContact C-N 3.34Å; Q110-V112 PolarHBondContact O-N 3Å; V112-E114 VanDerWaalsContact C-N 3.34Å; V112-L115 PolarHBondContact O-N 2.64Å; V112-A116 PolarHBondContact O-N 2.92Å; V112-V205 HydrophobicContact CG1-CB 4.46Å; V112-V205 HydrophobicContact CG1-CG1 3.94Å; V112-V205 HydrophobicContact CG1-CG2 3.67Å; V112-Y206 HydrophobicContact CB-CE1 4.08Å; V112-Y206 HydrophobicContact CG1-CD1 3.75Å; V112-Y206 HydrophobicContact CG1-CE1 3.58Å; V112-L209 HydrophobicContact CG1-CD1 3.89Å; V112-I211 HydrophobicContact CG1-CD1 4.33Å; V112-I211 HydrophobicContact CG2-CD1 4.02Å; V112-L219 HydrophobicContact CG2-CD1 4.38Å
113	K	98.4	Very high	97.2	Very high	58 Å²	58	51.7 Å²	51.7	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-41.6	173.6	-179.8	-179.2	175.9	179.6	0	111.4	F109 Q110 A116 L117 F177 T178	F109-K113 HydrophobicContact CE1-CB 4.44Å; F109-K113 HydrophobicContact CE1-CD 3.88Å; F109-K113 HydrophobicContact CE2-CB 4.5Å; F109-K113 HydrophobicContact CZ-CB 4.32Å; F109-K113 HydrophobicContact CZ-CD 3.9Å; F109-K113 VanDerWaalsContact O-CB 3.29Å; F109-K113 WeakPolarHBondContact O-CB 3.28Å; F109-K113 PolarHBondContact O-N 2.68Å; Q110-K113 PolarHBondContact O-N 3Å; K113-A116 WeakPolarHBondContact O-CB 3.41Å; K113-A116 PolarHBondContact O-N 2.86Å; K113-L117 HydrophobicContact CG-CD1 4.12Å; K113-L117 WeakPolarHBondContact O-CG 3.49Å; K113-L117 PolarHBondContact O-N 2.85Å; K113-F177 HydrophobicContact CG-CE2 4.23Å; K113-F177 HydrophobicContact CG-CZ 4.38Å; K113-T178 HydrophobicContact CG-CG2 4.32Å
114	E	98.4	Very high	97.4	Very high	72 Å²	72	49 Å²	49	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-61.1	-43.8	174.6	-76.6	164.1	-162.8	0	0	111.9	Q110 T111 V112 A116 L117 N118	Q110-E114 WeakPolarHBondContact CG-OE1 3.38Å; Q110-E114 PolarHBondContact NE2-OE1 2.98Å; Q110-E114 WeakPolarHBondContact O-CG 3.42Å; Q110-E114 PolarHBondContact O-N 3.27Å; T111-E114 PolarHBondContact O-N 3.29Å; V112-E114 VanDerWaalsContact C-N 3.34Å; E114-A116 PolarHBondContact O-N 3.27Å; E114-L117 PolarHBondContact O-N 2.98Å; E114-N118 WeakPolarHBondContact O-CB 3.37Å; E114-N118 PolarHBondContact O-N 2.92Å; E114-N118 PolarHBondContact O-ND2 3.46Å
115	L	98.4	Very high	97.8	Very high	19 Å²	19	44.2 Å²	44.2	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-45.4	174.1	-69.2	179	0	0	0	111.7	L93 W97 L100 T111 V112 L117 N118 H119	L93-L115 HydrophobicContact CD1-CB 3.73Å; W97-L115 HydrophobicContact CB-CD1 4.41Å; W97-L115 HydrophobicContact CE3-CD1 3.75Å; W97-L115 HydrophobicContact CZ3-CD1 4.47Å; L100-L115 HydrophobicContact CD2-CD1 4.09Å; T111-L115 WeakPolarHBondContact O-CG 3.44Å; T111-L115 PolarHBondContact O-N 3.44Å; T111-L115 VanDerWaalsContact O-N 3.14Å; V112-L115 PolarHBondContact O-N 2.64Å; L115-L117 VanDerWaalsContact C-N 3.32Å; L115-L117 PolarHBondContact O-N 3.38Å; L115-N118 PolarHBondContact O-N 3.45Å; L115-H119 PolarHBondContact O-CD2 3.4Å; L115-H119 PolarHBondContact O-N 2.96Å; L115-H119 VanDerWaalsContact O-N 3.15Å
116	A	98.4	Very high	98	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-44.1	177	0	0	0	0	0	112.5	V112 K113 E114 H119 G120 V121 L122 F177 V205	V112-A116 PolarHBondContact O-N 2.92Å; K113-A116 WeakPolarHBondContact O-CB 3.41Å; K113-A116 PolarHBondContact O-N 2.86Å; E114-A116 PolarHBondContact O-N 3.27Å; A116-H119 PolarHBondContact O-N 3.27Å; A116-G120 PolarHBondContact O-N 2.98Å; A116-V121 WeakPolarHBondContact CB-O 3.43Å; A116-V121 PolarHBondContact O-N 3.46Å; A116-L122 HydrophobicContact CB-CD2 4.41Å; A116-F177 HydrophobicContact CB-CE1 3.73Å; A116-F177 HydrophobicContact CB-CZ 3.71Å; A116-V205 HydrophobicContact CB-CB 3.95Å; A116-V205 HydrophobicContact CB-CG1 4Å; A116-V205 HydrophobicContact CB-CG2 3.98Å
117	L	98.3	Very high	98.1	Very high	82 Å²	82	34.5 Å²	34.5	43%	0.429	18%	0.183	S	C	.	.	H	α-helix	trans	-64	-45.1	177.5	-73.4	165.5	0	0	0	112.2	K113 E114 L115 H119 G120 L122 T178	K113-L117 HydrophobicContact CG-CD1 4.12Å; K113-L117 WeakPolarHBondContact O-CG 3.49Å; K113-L117 PolarHBondContact O-N 2.85Å; E114-L117 PolarHBondContact O-N 2.98Å; L115-L117 VanDerWaalsContact C-N 3.32Å; L115-L117 PolarHBondContact O-N 3.38Å; L117-H119 PolarHBondContact O-N 3.49Å; L117-G120 PolarHBondContact O-N 3.43Å; L117-L122 HydrophobicContact CD2-CD2 3.96Å; L117-L122 HydrophobicContact CG-CD2 4.4Å; L117-T178 HydrophobicContact CD2-CG2 4.18Å
118	N	98.3	Very high	98.1	Very high	125 Å²	125	33.5 Å²	33.5	67%	0.668	18%	0.177	S	C	*	.	H	α-helix	trans	-65	-28.6	-178.5	-68.9	-18.8	0	0	0	113	E114 L115	E114-N118 WeakPolarHBondContact O-CB 3.37Å; E114-N118 PolarHBondContact O-N 2.92Å; E114-N118 PolarHBondContact O-ND2 3.46Å; L115-N118 PolarHBondContact O-N 3.45Å
119	H	98.4	Very high	98.1	Very high	33 Å²	33	35.9 Å²	35.9	15%	0.153	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	2.6	-177	-67.7	-68.6	0	0	0	113.8	G88 D89 G92 L93 S96 L115 A116 L117 V121	G88-H119 CarbonylContact C-O 3.54Å; G88-H119 WeakPolarHBondContact CA-O 3.13Å; D89-H119 HydrophobicContact CB-CB 4.38Å; D89-H119 PolarHBondContact N-O 3.45Å; D89-H119 IonicContact OD2-ND1 3.86Å; G92-H119 PolarHBondContact O-CE1 2.98Å; G92-H119 PolarHBondContact O-NE2 3.22Å; L93-H119 VanDerWaalsContact CA-CD2 3.5Å; L93-H119 WeakPolarHBondContact CA-CD2 3.32Å; L93-H119 HydrophobicContact CB-CB 3.99Å; L93-H119 PolarHBondContact N-ND1 3.01Å; S96-H119 WeakPolarHBondContact CB-NE2 3.37Å; S96-H119 PolarHBondContact OG-CE1 3.41Å; S96-H119 PolarHBondContact OG-NE2 3.03Å; L115-H119 PolarHBondContact O-CD2 3.4Å; L115-H119 PolarHBondContact O-N 2.96Å; L115-H119 VanDerWaalsContact O-N 3.15Å; A116-H119 PolarHBondContact O-N 3.27Å; L117-H119 PolarHBondContact O-N 3.49Å; H119-V121 HydrophobicContact CB-CG2 4.13Å; H119-V121 PolarHBondContact O-N 2.95Å
120	G	97.7	Very high	98	Very high	32 Å²	32	35.3 Å²	35.3	33%	0.33	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	21.1	-178.9	0	0	0	0	0	114.5	G88 A116 L117 L122	G88-G120 WeakPolarHBondContact CA-O 3.09Å; A116-G120 PolarHBondContact O-N 2.98Å; L117-G120 PolarHBondContact O-N 3.43Å; G120-L122 VanDerWaalsContact C-N 3.33Å; G120-L122 PolarHBondContact O-N 2.95Å; G120-L122 VanDerWaalsContact O-N 3.14Å
121	V	98.1	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.			trans	-89.4	72.9	178.3	-175.2	0	0	0	0	109.1	V90 L93 A116 H119 V205 Y208	V90-V121 HydrophobicContact CG2-CG2 4.27Å; L93-V121 HydrophobicContact CB-CG2 4.29Å; L93-V121 HydrophobicContact CD2-CB 4.02Å; L93-V121 HydrophobicContact CD2-CG1 3.93Å; L93-V121 HydrophobicContact CD2-CG2 3.86Å; A116-V121 WeakPolarHBondContact CB-O 3.43Å; A116-V121 PolarHBondContact O-N 3.46Å; H119-V121 HydrophobicContact CB-CG2 4.13Å; H119-V121 PolarHBondContact O-N 2.95Å; V121-V205 HydrophobicContact CG1-CB 4.47Å; V121-Y208 HydrophobicContact CG1-CD2 3.52Å; V121-Y208 HydrophobicContact CG1-CE2 3.68Å
122	L	97.4	Very high	97.6	Very high	38 Å²	38	35.4 Å²	35.4	20%	0.199	20%	0.198	C	C	.	.			trans	-105.5	-8.3	-165.3	-60.1	-177.7	0	0	0	115	A116 L117 G120 Q175 N176 F177 T178	A116-L122 HydrophobicContact CB-CD2 4.41Å; L117-L122 HydrophobicContact CD2-CD2 3.96Å; L117-L122 HydrophobicContact CG-CD2 4.4Å; G120-L122 VanDerWaalsContact C-N 3.33Å; G120-L122 PolarHBondContact O-N 2.95Å; G120-L122 VanDerWaalsContact O-N 3.14Å; L122-Q175 CarbonylContact C-O 3.43Å; L122-N176 CarbonylContact O-C 3.58Å; L122-N176 WeakPolarHBondContact O-CA 3.48Å; L122-F177 HydrophobicContact CD2-CE1 4.38Å; L122-F177 WeakPolarHBondContact O-CD1 3.47Å; L122-F177 PolarHBondContact O-N 2.99Å; L122-T178 HydrophobicContact CD2-CG2 4.4Å
123	S	97.3	Very high	97.4	Very high	8 Å²	8	36.5 Å²	36.5	6%	0.056	21%	0.21	C	C	.	.			trans	-66.9	158.3	-179.7	54.7	0	0	0	0	112	Q175 D204	S123-Q175 WeakPolarHBondContact CA-O 3.44Å; S123-Q175 PolarHBondContact N-O 2.81Å; S123-D204 WeakPolarHBondContact CB-OD2 3.43Å; S123-D204 WeakPolarHBondContact O-CB 3.35Å; S123-D204 PolarHBondContact O-N 2.86Å; S123-D204 PolarHBondContact OG-OD2 2.87Å
124	G	97.9	Very high	97.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	173.8	174.9	0	0	0	0	0	111.3	Y173 N174 Y201	G124-Y173 WeakPolarHBondContact O-CA 3.21Å; G124-Y173 WeakPolarHBondContact O-CD1 3.29Å; G124-N174 PolarHBondContact N-O 3.11Å; G124-N174 PolarHBondContact O-N 3.03Å; G124-N174 VanDerWaalsContact O-N 3.09Å; G124-Y201 VanDerWaalsContact CA-OH 3.32Å; G124-Y201 WeakPolarHBondContact CA-OH 3.34Å
125	K	98.4	Very high	97.1	Very high	14 Å²	14	44.8 Å²	44.8	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.1	-171.5	74.4	-158.3	82	178.3	0	113.6	L127 C171 A172 Y173 Y201 K202 D204	K125-L127 HydrophobicContact CD-CD2 3.88Å; K125-L127 HydrophobicContact CG-CD2 3.76Å; K125-L127 HydrophobicContact CG-CG 4.3Å; K125-C171 HydrophobicContact CB-CB 4.46Å; K125-C171 HydrophobicContact CD-CB 4.13Å; K125-C171 HydrophobicContact CG-CB 4.48Å; K125-A172 CarbonylContact C-O 3.55Å; K125-A172 WeakPolarHBondContact CA-O 3.31Å; K125-A172 WeakPolarHBondContact CB-O 3.23Å; K125-Y173 HydrophobicContact CB-CD1 3.91Å; K125-Y173 HydrophobicContact CB-CD2 4.14Å; K125-Y173 HydrophobicContact CB-CE1 3.95Å; K125-Y173 HydrophobicContact CB-CE2 4.14Å; K125-Y173 HydrophobicContact CB-CG 4.04Å; K125-Y173 HydrophobicContact CD-CE1 4.02Å; K125-Y173 HydrophobicContact CD-CE2 4.26Å; K125-Y173 WeakPolarHBondContact CE-OH 3.34Å; K125-Y173 PolarHBondContact NZ-OH 3.28Å; K125-Y201 CarbonylContact O-C 3.42Å; K125-Y201 WeakPolarHBondContact O-CA 3.05Å; K125-K202 PolarHBondContact N-O 2.85Å; K125-K202 PolarHBondContact O-N 3.09Å; K125-D204 WeakPolarHBondContact CE-OD1 3.27Å; K125-D204 IonicContact NZ-OD1 2.65Å; K125-D204 PolarHBondContact NZ-OD1 3.35Å
126	W	98.8	Very high	97.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131	160.1	-80.3	113.8	0	0	0	109.9	C171 A172 V183 D187 I190 L199 Y201 I239	W126-C171 WeakPolarHBondContact O-CA 3.19Å; W126-A172 PolarHBondContact N-O 3.46Å; W126-A172 PolarHBondContact O-N 2.95Å; W126-V183 HydrophobicContact CZ2-CG1 3.73Å; W126-V183 PolarHBondContact NE1-O 2.96Å; W126-D187 HydrophobicContact CZ2-CB 4.25Å; W126-I190 HydrophobicContact CB-CD1 3.65Å; W126-I190 HydrophobicContact CG-CD1 3.95Å; W126-L199 HydrophobicContact CD2-CB 4.01Å; W126-L199 HydrophobicContact CD2-CD1 4.3Å; W126-L199 HydrophobicContact CE3-CB 3.28Å; W126-L199 HydrophobicContact CE3-CD1 4.38Å; W126-L199 HydrophobicContact CE3-CG 4.46Å; W126-L199 HydrophobicContact CG-CD1 4.48Å; W126-L199 HydrophobicContact CZ3-CB 3.67Å; W126-L199 WeakPolarHBondContact CZ3-O 3.31Å; W126-Y201 AromaticContact CD1-CD2 3.85Å; W126-Y201 AromaticContact CD2-CD2 3.73Å; W126-Y201 HydrophobicContact CD2-CD2 3.73Å; W126-Y201 HydrophobicContact CD2-CG 4.35Å; W126-Y201 AromaticContact CE2-CD2 3.69Å; W126-Y201 HydrophobicContact CE3-CD2 4.31Å; W126-Y201 HydrophobicContact CE3-CG 4.5Å; W126-Y201 AromaticContact CG-CD2 3.86Å; W126-Y201 HydrophobicContact CG-CD2 3.86Å; W126-Y201 HydrophobicContact CZ2-CD2 4.26Å; W126-Y201 AromaticContact NE1-CD2 3.74Å; W126-I239 HydrophobicContact CH2-CG2 4.11Å; W126-I239 HydrophobicContact CZ2-CD1 4.5Å; W126-I239 HydrophobicContact CZ2-CG2 4.16Å
127	L	98.6	Very high	97.1	Very high	25 Å²	25	44.9 Å²	44.9	13%	0.131	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.1	177.7	-56.9	173.3	0	0	0	110	K125 V169 C171 L199 S200 K202	K125-L127 HydrophobicContact CD-CD2 3.88Å; K125-L127 HydrophobicContact CG-CD2 3.76Å; K125-L127 HydrophobicContact CG-CG 4.3Å; L127-V169 HydrophobicContact CB-CG2 4.23Å; L127-V169 HydrophobicContact CD2-CG2 3.99Å; L127-C171 HydrophobicContact CD2-CB 4.49Å; L127-C171 VanDerWaalsContact CD2-SG 3.57Å; L127-L199 WeakPolarHBondContact O-CA 3.49Å; L127-S200 VanDerWaalsContact CB-O 3.3Å; L127-S200 WeakPolarHBondContact CB-O 3.37Å; L127-S200 WeakPolarHBondContact CG-O 3.39Å; L127-S200 PolarHBondContact N-O 3.39Å; L127-S200 PolarHBondContact O-N 2.9Å; L127-S200 VanDerWaalsContact O-N 3.14Å; L127-K202 HydrophobicContact CD1-CB 3.98Å
128	M	98.1	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	110.1	175	-66.6	161.6	-84.8	0	0	108.6	L130 V143 V169 I170 A172 I190 V195 L199	M128-L130 HydrophobicContact CB-CD1 3.82Å; M128-V143 HydrophobicContact CE-CG1 4.5Å; M128-V143 HydrophobicContact SD-CG1 4.36Å; M128-V169 CarbonylContact O-C 3.46Å; M128-V169 VanDerWaalsContact O-CA 3.31Å; M128-V169 WeakPolarHBondContact O-CA 3.48Å; M128-I170 HydrophobicContact CB-CB 4.14Å; M128-I170 HydrophobicContact CE-CB 3.69Å; M128-I170 HydrophobicContact CE-CG2 3.52Å; M128-I170 PolarHBondContact N-O 2.78Å; M128-I170 PolarHBondContact O-N 2.88Å; M128-I170 HydrophobicContact SD-CB 4.35Å; M128-A172 HydrophobicContact CE-CB 4.12Å; M128-I190 HydrophobicContact SD-CG2 3.92Å; M128-V195 HydrophobicContact CG-CG1 4.36Å; M128-V195 HydrophobicContact SD-CG1 3.95Å; M128-V195 HydrophobicContact SD-CG2 4.47Å; M128-L199 HydrophobicContact CB-CD2 4.46Å; M128-L199 HydrophobicContact CG-CD2 3.3Å; M128-L199 HydrophobicContact SD-CD2 4.26Å
129	H	96.4	Very high	97	Very high	103 Å²	103	41 Å²	41	48%	0.477	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.4	176	-69.7	-96.5	0	0	0	110	K167 Q168	H129-K167 HydrophobicContact CB-CD 4.3Å; H129-Q168 WeakPolarHBondContact CA-O 3.35Å
130	L	95.8	Very high	97	Very high	26 Å²	26	39.5 Å²	39.5	14%	0.136	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.9	178	-62.2	101.4	0	0	0	110.3	M128 L136 A139 K167 Q168 I170	M128-L130 HydrophobicContact CB-CD1 3.82Å; L130-L136 HydrophobicContact CB-CB 4.21Å; L130-L136 HydrophobicContact CB-CD1 3.93Å; L130-L136 HydrophobicContact CD1-CD1 4.17Å; L130-A139 HydrophobicContact CD1-CB 4.35Å; L130-A139 HydrophobicContact CD2-CB 3.89Å; L130-K167 CarbonylContact O-C 3.45Å; L130-K167 VanDerWaalsContact O-CA 3.22Å; L130-K167 WeakPolarHBondContact O-CA 3.49Å; L130-Q168 PolarHBondContact N-O 3.01Å; L130-Q168 PolarHBondContact O-N 2.86Å; L130-I170 HydrophobicContact CD1-CD1 3.85Å; L130-I170 HydrophobicContact CD1-CG1 4.38Å
131	A	94.9	Very high	97.1	Very high	65 Å²	65	41.4 Å²	41.4	54%	0.537	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	143.3	168.1	0	0	0	0	0	109.9	L136 G166	A131-L136 WeakPolarHBondContact O-CB 3.32Å; A131-G166 WeakPolarHBondContact CA-O 3.37Å
132	S	93.9	Very high	97.1	Very high	43 Å²	43	42.7 Å²	42.7	30%	0.301	22%	0.224	S	C	.	.	S	Bend	trans	-56.8	151.5	175.5	-177.7	0	0	0	0	112	Y160 G166 Q168	S132-Y160 WeakPolarHBondContact OG-CD2 3.4Å; S132-G166 PolarHBondContact N-O 2.97Å; S132-Q168 VanDerWaalsContact CB-OE1 3.26Å; S132-Q168 PolarHBondContact OG-OE1 3.28Å; S132-Q168 VanDerWaalsContact OG-OE1 3.05Å
133	G	94.1	Very high	97.1	Very high	24 Å²	24	40.9 Å²	40.9	25%	0.247	22%	0.215	C	C	.	.	S	Bend	trans	110.7	-160.1	178.5	0	0	0	0	0	113.7	K135 L136 D137	G133-K135 VanDerWaalsContact C-N 3.27Å; G133-K135 PolarHBondContact O-N 3.09Å; G133-K135 VanDerWaalsContact O-N 3.08Å; G133-L136 WeakPolarHBondContact O-CB 3.46Å; G133-L136 PolarHBondContact O-N 3.31Å; G133-D137 PolarHBondContact O-N 2.81Å; G133-D137 VanDerWaalsContact O-N 3.12Å
134	F	95.2	Very high	97.2	Very high	161 Å²	161	40.5 Å²	40.5	71%	0.706	21%	0.212	S	C	*	.	H	α-helix	trans	-58.2	-32.5	-164.6	77.2	-90.2	0	0	0	115	H138	F134-H138 VanDerWaalsContact O-CB 3.29Å; F134-H138 WeakPolarHBondContact O-CB 3.47Å; F134-H138 PolarHBondContact O-N 2.9Å
135	K	95.3	Very high	97.2	Very high	142 Å²	142	44.1 Å²	44.1	62%	0.617	23%	0.226	S	C	*	.	H	α-helix	trans	-69.4	-38.5	178.9	-66.1	-173.6	-178.8	175.5	0	111.8	G133 A139	G133-K135 VanDerWaalsContact C-N 3.27Å; G133-K135 PolarHBondContact O-N 3.09Å; G133-K135 VanDerWaalsContact O-N 3.08Å; K135-A139 VanDerWaalsContact O-CB 3.29Å; K135-A139 WeakPolarHBondContact O-CB 3.12Å; K135-A139 PolarHBondContact O-N 2.95Å
136	L	97.4	Very high	97.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-50.3	173.7	172.9	78.2	0	0	0	109.8	P57 L130 A131 G133 H138 A139 W140 V157 Q168 I170	P57-L136 HydrophobicContact CB-CD2 4.09Å; P57-L136 HydrophobicContact CG-CD2 4.1Å; P57-L136 HydrophobicContact CG-CG 4.18Å; L130-L136 HydrophobicContact CB-CB 4.21Å; L130-L136 HydrophobicContact CB-CD1 3.93Å; L130-L136 HydrophobicContact CD1-CD1 4.17Å; A131-L136 WeakPolarHBondContact O-CB 3.32Å; G133-L136 WeakPolarHBondContact O-CB 3.46Å; G133-L136 PolarHBondContact O-N 3.31Å; L136-H138 VanDerWaalsContact C-N 3.3Å; L136-H138 PolarHBondContact O-N 3.15Å; L136-A139 PolarHBondContact O-N 3.1Å; L136-W140 VanDerWaalsContact O-CB 3.32Å; L136-W140 WeakPolarHBondContact O-CB 3.5Å; L136-W140 PolarHBondContact O-N 2.82Å; L136-V157 HydrophobicContact CD1-CG2 4.22Å; L136-Q168 HydrophobicContact CD1-CB 3.92Å; L136-Q168 HydrophobicContact CD2-CB 3.58Å; L136-Q168 HydrophobicContact CD2-CG 3.97Å; L136-Q168 HydrophobicContact CG-CB 4.41Å; L136-I170 HydrophobicContact CD1-CD1 3.98Å; L136-I170 HydrophobicContact CD1-CG1 3.92Å
137	D	98.1	Very high	97.2	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.118	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-43.6	-177.8	-64.6	-27.9	0	0	0	111.4	P57 S58 G133 W140 E141	P57-D137 WeakPolarHBondContact CD-OD1 3.5Å; P57-D137 VanDerWaalsContact CG-OD1 3.31Å; P57-D137 WeakPolarHBondContact CG-OD1 3.29Å; S58-D137 VanDerWaalsContact CB-OD1 3.27Å; S58-D137 WeakPolarHBondContact CB-OD1 3.31Å; S58-D137 WeakPolarHBondContact CB-OD2 3.48Å; S58-D137 PolarHBondContact N-OD1 3.07Å; S58-D137 PolarHBondContact OG-OD1 2.92Å; S58-D137 VanDerWaalsContact OG-OD1 3.09Å; S58-D137 PolarHBondContact OG-OD2 2.87Å; G133-D137 PolarHBondContact O-N 2.81Å; G133-D137 VanDerWaalsContact O-N 3.12Å; D137-W140 WeakPolarHBondContact O-CB 3.25Å; D137-W140 PolarHBondContact O-N 3.17Å; D137-E141 WeakPolarHBondContact O-CB 3.41Å; D137-E141 PolarHBondContact O-N 2.87Å
138	H	97.9	Very high	97.1	Very high	117 Å²	117	43.2 Å²	43.2	54%	0.542	22%	0.222	S	C	.	.	H	α-helix	trans	-64.6	-46	175.8	-178	-75.4	0	0	0	112	F134 L136 W140 E141 C142	F134-H138 VanDerWaalsContact O-CB 3.29Å; F134-H138 WeakPolarHBondContact O-CB 3.47Å; F134-H138 PolarHBondContact O-N 2.9Å; L136-H138 VanDerWaalsContact C-N 3.3Å; L136-H138 PolarHBondContact O-N 3.15Å; H138-W140 VanDerWaalsContact C-N 3.29Å; H138-W140 PolarHBondContact O-N 2.9Å; H138-E141 PolarHBondContact O-N 3.11Å; H138-C142 PolarHBondContact CE1-SG 3.46Å; H138-C142 WeakPolarHBondContact O-CB 3.34Å; H138-C142 PolarHBondContact O-N 2.81Å; H138-C142 PolarHBondContact O-SG 2.81Å
139	A	98.1	Very high	97.1	Very high	7 Å²	7	47.6 Å²	47.6	6%	0.058	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-40.4	176.9	0	0	0	0	0	111.7	L130 K135 L136 C142 V143 I170 V195	L130-A139 HydrophobicContact CD1-CB 4.35Å; L130-A139 HydrophobicContact CD2-CB 3.89Å; K135-A139 VanDerWaalsContact O-CB 3.29Å; K135-A139 WeakPolarHBondContact O-CB 3.12Å; K135-A139 PolarHBondContact O-N 2.95Å; L136-A139 PolarHBondContact O-N 3.1Å; A139-C142 WeakPolarHBondContact O-CB 3.33Å; A139-C142 PolarHBondContact O-N 3.45Å; A139-V143 WeakPolarHBondContact O-CG2 3.47Å; A139-V143 PolarHBondContact O-N 3.19Å; A139-V143 VanDerWaalsContact O-N 3.11Å; A139-I170 HydrophobicContact CB-CD1 3.99Å; A139-V195 HydrophobicContact CB-CG2 4.22Å
140	W	98.7	Very high	97.1	Very high	3 Å²	3	43.5 Å²	43.5	1%	0.011	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-53.4	174.7	166.2	-115.8	0	0	0	111.6	W51 P57 I76 V78 L136 D137 H138 C142 V143 A144 V155 V157 I170	W51-W140 HydrophobicContact CH2-CZ2 4.04Å; W51-W140 HydrophobicContact CZ3-CZ2 4.19Å; P57-W140 VanDerWaalsContact CD-CD1 3.45Å; P57-W140 HydrophobicContact CG-CB 3.93Å; P57-W140 HydrophobicContact CG-CG 3.85Å; I76-W140 HydrophobicContact CB-CZ2 4.49Å; I76-W140 HydrophobicContact CG2-CZ2 3.87Å; V78-W140 HydrophobicContact CG2-CH2 3.93Å; V78-W140 HydrophobicContact CG2-CZ2 3.88Å; L136-W140 VanDerWaalsContact O-CB 3.32Å; L136-W140 WeakPolarHBondContact O-CB 3.5Å; L136-W140 PolarHBondContact O-N 2.82Å; D137-W140 WeakPolarHBondContact O-CB 3.25Å; D137-W140 PolarHBondContact O-N 3.17Å; H138-W140 VanDerWaalsContact C-N 3.29Å; H138-W140 PolarHBondContact O-N 2.9Å; W140-C142 VanDerWaalsContact C-N 3.28Å; W140-C142 PolarHBondContact O-N 3.34Å; W140-V143 HydrophobicContact CE3-CG2 4.25Å; W140-V143 WeakPolarHBondContact O-CG2 3.3Å; W140-V143 PolarHBondContact O-N 3.03Å; W140-A144 HydrophobicContact CD2-CB 4.28Å; W140-A144 HydrophobicContact CE3-CB 4.45Å; W140-A144 HydrophobicContact CH2-CB 4.41Å; W140-A144 HydrophobicContact CZ2-CB 4.2Å; W140-A144 WeakPolarHBondContact O-CB 3.23Å; W140-A144 PolarHBondContact O-N 2.94Å; W140-V155 HydrophobicContact CH2-CG2 3.94Å; W140-V155 HydrophobicContact CZ3-CB 4.03Å; W140-V155 HydrophobicContact CZ3-CG2 3.66Å; W140-V157 HydrophobicContact CD2-CB 4Å; W140-V157 HydrophobicContact CD2-CG1 3.43Å; W140-V157 VanDerWaalsContact CD2-CG1 3.43Å; W140-V157 HydrophobicContact CE3-CB 3.62Å; W140-V157 HydrophobicContact CE3-CG1 3.49Å; W140-V157 VanDerWaalsContact CE3-CG1 3.49Å; W140-V157 HydrophobicContact CG-CG1 4.02Å; W140-V157 HydrophobicContact CH2-CG1 3.9Å; W140-V157 HydrophobicContact CZ2-CG1 3.86Å; W140-V157 HydrophobicContact CZ3-CB 3.91Å; W140-V157 HydrophobicContact CZ3-CG1 3.73Å; W140-I170 HydrophobicContact CB-CD1 4.08Å; W140-I170 HydrophobicContact CE3-CG2 4.03Å; W140-I170 HydrophobicContact CZ3-CG2 4.38Å
141	E	98.4	Very high	97.1	Very high	72 Å²	72	47.1 Å²	47.1	34%	0.336	24%	0.243	S	C	.	.	H	α-helix	trans	-53	-47.9	176.5	169.8	173.9	-178.3	0	0	111.2	L52 D137 H138 V143 A144 R145	L52-E141 HydrophobicContact CD1-CB 4.35Å; L52-E141 HydrophobicContact CD1-CG 3.85Å; D137-E141 WeakPolarHBondContact O-CB 3.41Å; D137-E141 PolarHBondContact O-N 2.87Å; H138-E141 PolarHBondContact O-N 3.11Å; E141-V143 PolarHBondContact O-N 3.39Å; E141-A144 PolarHBondContact O-N 3.34Å; E141-R145 WeakPolarHBondContact O-CB 3.1Å; E141-R145 WeakPolarHBondContact O-CG 3.45Å; E141-R145 PolarHBondContact O-N 3.35Å; E141-R145 IonicContact OE1-CZ 3.3Å; E141-R145 VanDerWaalsContact OE1-CZ 3.25Å; E141-R145 IonicContact OE1-NE 3.94Å; E141-R145 PolarHBondContact OE1-NE 2.95Å; E141-R145 IonicContact OE1-NH2 3.09Å; E141-R145 PolarHBondContact OE1-NH2 3.29Å
142	C	98.2	Very high	97.2	Very high	26 Å²	26	44.1 Å²	44.1	18%	0.176	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-49	179.6	-78.3	0	0	0	0	112.8	H138 A139 W140 A146	H138-C142 PolarHBondContact CE1-SG 3.46Å; H138-C142 WeakPolarHBondContact O-CB 3.34Å; H138-C142 PolarHBondContact O-N 2.81Å; H138-C142 PolarHBondContact O-SG 2.81Å; A139-C142 WeakPolarHBondContact O-CB 3.33Å; A139-C142 PolarHBondContact O-N 3.45Å; W140-C142 VanDerWaalsContact C-N 3.28Å; W140-C142 PolarHBondContact O-N 3.34Å; C142-A146 PolarHBondContact O-N 3.49Å
143	V	98.4	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-77.9	-29.1	179.8	-58.8	0	0	0	0	112.9	M128 A139 W140 E141 A146 A147 V155 I170 T193 V195	M128-V143 HydrophobicContact CE-CG1 4.5Å; M128-V143 HydrophobicContact SD-CG1 4.36Å; A139-V143 WeakPolarHBondContact O-CG2 3.47Å; A139-V143 PolarHBondContact O-N 3.19Å; A139-V143 VanDerWaalsContact O-N 3.11Å; W140-V143 HydrophobicContact CE3-CG2 4.25Å; W140-V143 WeakPolarHBondContact O-CG2 3.3Å; W140-V143 PolarHBondContact O-N 3.03Å; E141-V143 PolarHBondContact O-N 3.39Å; V143-A146 WeakPolarHBondContact O-CB 3.41Å; V143-A146 PolarHBondContact O-N 3.3Å; V143-A147 PolarHBondContact O-N 3.28Å; V143-V155 HydrophobicContact CB-CG1 4.36Å; V143-V155 HydrophobicContact CG2-CG1 4.34Å; V143-I170 HydrophobicContact CG2-CG2 3.81Å; V143-T193 HydrophobicContact CG1-CG2 4.4Å; V143-V195 HydrophobicContact CG1-CG2 4.08Å
144	A	98.6	Very high	97.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-41.5	173.4	0	0	0	0	0	111.2	F48 L52 V78 W140 E141 A147 L148 V155	F48-A144 HydrophobicContact CZ-CB 3.86Å; L52-A144 HydrophobicContact CD2-CB 4.19Å; V78-A144 HydrophobicContact CG2-CB 3.88Å; W140-A144 HydrophobicContact CD2-CB 4.28Å; W140-A144 HydrophobicContact CE3-CB 4.45Å; W140-A144 HydrophobicContact CH2-CB 4.41Å; W140-A144 HydrophobicContact CZ2-CB 4.2Å; W140-A144 WeakPolarHBondContact O-CB 3.23Å; W140-A144 PolarHBondContact O-N 2.94Å; E141-A144 PolarHBondContact O-N 3.34Å; A144-A147 WeakPolarHBondContact O-CB 3.42Å; A144-A147 PolarHBondContact O-N 3.39Å; A144-L148 PolarHBondContact O-N 3.39Å; A144-V155 HydrophobicContact CB-CG2 4.44Å
145	R	98.4	Very high	97.5	Very high	76 Å²	76	35 Å²	35	29%	0.287	17%	0.169	S	C	.	.	H	α-helix	trans	-62.7	-40.1	171.1	-72.6	-179.7	-171.6	-64.7	-1.5	112.1	F48 D49 E141 A147 L148 E149	F48-R145 HydrophobicContact CE1-CG 3.69Å; D49-R145 IonicContact OD1-CZ 3.97Å; D49-R145 IonicContact OD1-NH1 3.94Å; D49-R145 PolarHBondContact OD1-NH1 3.28Å; D49-R145 IonicContact OD1-NH2 2.75Å; D49-R145 PolarHBondContact OD1-NH2 3.46Å; E141-R145 WeakPolarHBondContact O-CB 3.1Å; E141-R145 WeakPolarHBondContact O-CG 3.45Å; E141-R145 PolarHBondContact O-N 3.35Å; E141-R145 IonicContact OE1-CZ 3.3Å; E141-R145 VanDerWaalsContact OE1-CZ 3.25Å; E141-R145 IonicContact OE1-NE 3.94Å; E141-R145 PolarHBondContact OE1-NE 2.95Å; E141-R145 IonicContact OE1-NH2 3.09Å; E141-R145 PolarHBondContact OE1-NH2 3.29Å; R145-A147 VanDerWaalsContact C-N 3.29Å; R145-A147 PolarHBondContact O-N 3.03Å; R145-L148 WeakPolarHBondContact O-CB 3.49Å; R145-L148 PolarHBondContact O-N 3.02Å; R145-E149 WeakPolarHBondContact O-CB 3.38Å; R145-E149 VanDerWaalsContact O-CG 3.31Å; R145-E149 WeakPolarHBondContact O-CG 3.39Å; R145-E149 PolarHBondContact O-N 3.44Å
146	A	98.1	Very high	97.7	Very high	3 Å²	3	28.6 Å²	28.6	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-35.5	174.7	0	0	0	0	0	112.5	C142 V143 E149 G150 K151 I152 T193	C142-A146 PolarHBondContact O-N 3.49Å; V143-A146 WeakPolarHBondContact O-CB 3.41Å; V143-A146 PolarHBondContact O-N 3.3Å; A146-E149 PolarHBondContact O-N 2.89Å; A146-G150 PolarHBondContact O-N 2.87Å; A146-K151 HydrophobicContact CB-CB 4.45Å; A146-K151 HydrophobicContact CB-CD 4.44Å; A146-K151 WeakPolarHBondContact O-CB 3.32Å; A146-K151 PolarHBondContact O-N 3.5Å; A146-I152 HydrophobicContact CB-CD1 3.98Å; A146-I152 HydrophobicContact CB-CG1 4.29Å; A146-I152 PolarHBondContact O-N 3.15Å; A146-T193 HydrophobicContact CB-CG2 3.82Å
147	A	98.2	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.2	-45.5	172.8	0	0	0	0	0	112.2	V78 G80 P81 V143 A144 R145 E149 G150 I152 V155	V78-A147 HydrophobicContact CB-CB 4.35Å; V78-A147 HydrophobicContact CG1-CB 4.04Å; G80-A147 WeakPolarHBondContact CA-O 3.28Å; P81-A147 WeakPolarHBondContact CD-O 3.39Å; V143-A147 PolarHBondContact O-N 3.28Å; A144-A147 WeakPolarHBondContact O-CB 3.42Å; A144-A147 PolarHBondContact O-N 3.39Å; R145-A147 VanDerWaalsContact C-N 3.29Å; R145-A147 PolarHBondContact O-N 3.03Å; A147-E149 PolarHBondContact O-N 2.93Å; A147-G150 PolarHBondContact O-N 3.23Å; A147-I152 WeakPolarHBondContact CA-O 3.48Å; A147-I152 HydrophobicContact CB-CB 4.27Å; A147-V155 HydrophobicContact CB-CG1 4.22Å; A147-V155 HydrophobicContact CB-CG2 3.75Å
148	L	97.8	Very high	97.7	Very high	18 Å²	18	28.6 Å²	28.6	9%	0.094	14%	0.142	C	C	.	.	H	α-helix	trans	-56.9	-35.8	174.7	-176.7	71.1	0	0	0	112.7	F38 R45 F48 A144 R145 G150	F38-L148 HydrophobicContact CD1-CD1 4.38Å; F38-L148 HydrophobicContact CE1-CD1 3.71Å; R45-L148 HydrophobicContact CG-CD1 4.3Å; R45-L148 HydrophobicContact CG-CD2 3.9Å; R45-L148 HydrophobicContact CG-CG 4.28Å; F48-L148 HydrophobicContact CB-CD2 4.04Å; F48-L148 HydrophobicContact CD1-CD2 3.43Å; F48-L148 VanDerWaalsContact CD1-CD2 3.43Å; F48-L148 HydrophobicContact CD2-CD1 4.16Å; F48-L148 HydrophobicContact CD2-CD2 4.05Å; F48-L148 HydrophobicContact CE1-CD2 3.76Å; F48-L148 HydrophobicContact CE2-CB 4.5Å; F48-L148 HydrophobicContact CE2-CD2 4.36Å; F48-L148 HydrophobicContact CG-CD1 4.36Å; F48-L148 HydrophobicContact CG-CD2 3.56Å; F48-L148 HydrophobicContact CZ-CB 4.34Å; F48-L148 HydrophobicContact CZ-CD2 4.2Å; A144-L148 PolarHBondContact O-N 3.39Å; R145-L148 WeakPolarHBondContact O-CB 3.49Å; R145-L148 PolarHBondContact O-N 3.02Å; L148-G150 PolarHBondContact O-N 2.76Å
149	E	96.8	Very high	97.7	Very high	92 Å²	92	23.3 Å²	23.3	43%	0.43	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-0.9	176.1	-70.8	174.1	177.2	0	0	113.9	R45 R145 A146 A147 K151	R45-E149 IonicContact NH2-OE1 2.93Å; R145-E149 WeakPolarHBondContact O-CB 3.38Å; R145-E149 VanDerWaalsContact O-CG 3.31Å; R145-E149 WeakPolarHBondContact O-CG 3.39Å; R145-E149 PolarHBondContact O-N 3.44Å; A146-E149 PolarHBondContact O-N 2.89Å; A147-E149 PolarHBondContact O-N 2.93Å; E149-K151 VanDerWaalsContact C-N 3.31Å; E149-K151 HydrophobicContact CB-CD 4.5Å; E149-K151 HydrophobicContact CB-CG 4.44Å; E149-K151 PolarHBondContact O-N 3.3Å; E149-K151 VanDerWaalsContact OE2-CE 3.32Å; E149-K151 WeakPolarHBondContact OE2-CE 3.22Å; E149-K151 IonicContact OE2-NZ 2.61Å; E149-K151 PolarHBondContact OE2-NZ 3.19Å
150	G	96.2	Very high	97.5	Very high	17 Å²	17	25.9 Å²	25.9	18%	0.175	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	9.1	179.5	0	0	0	0	0	115.1	N82 A146 A147 L148	N82-G150 PolarHBondContact ND2-O 3.31Å; A146-G150 PolarHBondContact O-N 2.87Å; A147-G150 PolarHBondContact O-N 3.23Å; L148-G150 PolarHBondContact O-N 2.76Å
151	K	96.4	Very high	97.2	Very high	101 Å²	101	27.7 Å²	27.7	44%	0.439	14%	0.137	S	C	.	.	S	Bend	trans	-75.7	-31	175.8	-62.1	170.4	177.4	159.6	0	111.9	A146 E149 F189	A146-K151 HydrophobicContact CB-CB 4.45Å; A146-K151 HydrophobicContact CB-CD 4.44Å; A146-K151 WeakPolarHBondContact O-CB 3.32Å; A146-K151 PolarHBondContact O-N 3.5Å; E149-K151 VanDerWaalsContact C-N 3.31Å; E149-K151 HydrophobicContact CB-CD 4.5Å; E149-K151 HydrophobicContact CB-CG 4.44Å; E149-K151 PolarHBondContact O-N 3.3Å; E149-K151 VanDerWaalsContact OE2-CE 3.32Å; E149-K151 WeakPolarHBondContact OE2-CE 3.22Å; E149-K151 IonicContact OE2-NZ 2.61Å; E149-K151 PolarHBondContact OE2-NZ 3.19Å; K151-F189 HydrophobicContact CB-CD1 4.14Å; K151-F189 HydrophobicContact CB-CD2 4.24Å; K151-F189 HydrophobicContact CB-CE1 4.4Å; K151-F189 HydrophobicContact CB-CE2 4.47Å; K151-F189 HydrophobicContact CB-CG 4.07Å; K151-F189 HydrophobicContact CD-CD1 4.47Å; K151-F189 HydrophobicContact CG-CD1 4.43Å; K151-F189 HydrophobicContact CG-CE1 4.47Å; K151-F189 WeakPolarHBondContact O-CD2 3.48Å; K151-F189 VanDerWaalsContact O-CE2 3.23Å; K151-F189 WeakPolarHBondContact O-CE2 3.44Å
152	I	96.8	Very high	96.6	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	-124.6	133.8	178.5	-53.3	178.1	0	0	0	108.2	A146 A147 L154 V155 A172 L186 F189 I190	A146-I152 HydrophobicContact CB-CD1 3.98Å; A146-I152 HydrophobicContact CB-CG1 4.29Å; A146-I152 PolarHBondContact O-N 3.15Å; A147-I152 WeakPolarHBondContact CA-O 3.48Å; A147-I152 HydrophobicContact CB-CB 4.27Å; I152-L154 WeakPolarHBondContact CG2-O 3.24Å; I152-V155 HydrophobicContact CB-CG1 4.23Å; I152-V155 HydrophobicContact CD1-CG1 4.15Å; I152-V155 HydrophobicContact CG2-CG1 3.62Å; I152-A172 HydrophobicContact CD1-CB 4.43Å; I152-A172 HydrophobicContact CG2-CB 4.25Å; I152-L186 HydrophobicContact CB-CD1 4.36Å; I152-L186 HydrophobicContact CD1-CD1 4.18Å; I152-L186 HydrophobicContact CG1-CD1 3.86Å; I152-L186 HydrophobicContact CG2-CD1 3.85Å; I152-F189 HydrophobicContact CG1-CB 4.28Å; I152-I190 HydrophobicContact CD1-CG1 4.26Å
153	S	94.5	Very high	95.9	Very high	17 Å²	17	35.2 Å²	35.2	12%	0.119	17%	0.174	C	C	.	.	S	Bend	trans	-72.5	-40.2	-176	63.3	0	0	0	0	112.3	G80 H83 Y173	G80-S153 PolarHBondContact N-O 3.45Å; H83-S153 VanDerWaalsContact CB-O 3.32Å; H83-S153 WeakPolarHBondContact CB-O 3.47Å; H83-S153 PolarHBondContact ND1-O 3.46Å; S153-Y173 PolarHBondContact OG-O 2.75Å
154	L	97.5	Very high	95	Very high	21 Å²	21	37.6 Å²	37.6	11%	0.11	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	132.6	-179.4	162.7	67	0	0	0	109.1	A77 L79 I152 Y173	A77-L154 HydrophobicContact CB-CD1 4.3Å; L79-L154 HydrophobicContact CD2-CD1 3.47Å; L79-L154 VanDerWaalsContact CD2-CD1 3.47Å; I152-L154 WeakPolarHBondContact CG2-O 3.24Å; L154-Y173 HydrophobicContact CB-CD2 4.33Å; L154-Y173 HydrophobicContact CB-CG 4.46Å; L154-Y173 HydrophobicContact CD2-CD1 4.44Å; L154-Y173 HydrophobicContact CD2-CD2 3.74Å; L154-Y173 HydrophobicContact CD2-CE2 3.96Å; L154-Y173 HydrophobicContact CD2-CG 3.99Å; L154-Y173 HydrophobicContact CG-CD2 3.75Å; L154-Y173 HydrophobicContact CG-CE2 4.24Å; L154-Y173 HydrophobicContact CG-CG 4.24Å; L154-Y173 PolarHBondContact O-N 3.43Å
155	V	98.5	Very high	93.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.7	162.6	-63	0	0	0	0	109.8	A77 V78 W140 V143 A144 A147 I152 C171 A172	A77-V155 VanDerWaalsContact CA-O 3.32Å; A77-V155 WeakPolarHBondContact CA-O 3.33Å; V78-V155 HydrophobicContact CB-CG2 3.9Å; V78-V155 HydrophobicContact CG2-CG2 4.47Å; V78-V155 PolarHBondContact N-O 3.41Å; V78-V155 PolarHBondContact O-N 2.96Å; V78-V155 VanDerWaalsContact O-N 3.15Å; W140-V155 HydrophobicContact CH2-CG2 3.94Å; W140-V155 HydrophobicContact CZ3-CB 4.03Å; W140-V155 HydrophobicContact CZ3-CG2 3.66Å; V143-V155 HydrophobicContact CB-CG1 4.36Å; V143-V155 HydrophobicContact CG2-CG1 4.34Å; A144-V155 HydrophobicContact CB-CG2 4.44Å; A147-V155 HydrophobicContact CB-CG1 4.22Å; A147-V155 HydrophobicContact CB-CG2 3.75Å; I152-V155 HydrophobicContact CB-CG1 4.23Å; I152-V155 HydrophobicContact CD1-CG1 4.15Å; I152-V155 HydrophobicContact CG2-CG1 3.62Å; V155-C171 CarbonylContact C-O 3.59Å; V155-C171 VanDerWaalsContact CA-O 3.22Å; V155-C171 WeakPolarHBondContact CA-O 3.37Å; V155-A172 HydrophobicContact CG1-CB 3.93Å
156	K	98.4	Very high	92.6	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147.2	171.2	68.7	-177.9	-164.2	170.4	0	111.7	D31 W35 W75 I76 A77 I170 C171 Y173	D31-K156 IonicContact OD1-NZ 2.68Å; D31-K156 PolarHBondContact OD1-NZ 3.45Å; W35-K156 HydrophobicContact CH2-CD 3.97Å; W35-K156 HydrophobicContact CZ3-CD 4.14Å; W75-K156 HydrophobicContact CB-CB 4.48Å; W75-K156 HydrophobicContact CB-CD 4.41Å; W75-K156 HydrophobicContact CD2-CB 4.42Å; W75-K156 HydrophobicContact CD2-CD 3.57Å; W75-K156 HydrophobicContact CD2-CG 4Å; W75-K156 VanDerWaalsContact CE2-CE 3.44Å; W75-K156 VanDerWaalsContact CE2-NZ 3.31Å; W75-K156 HydrophobicContact CE3-CB 3.91Å; W75-K156 HydrophobicContact CE3-CD 3.68Å; W75-K156 HydrophobicContact CE3-CG 3.54Å; W75-K156 HydrophobicContact CG-CD 3.88Å; W75-K156 HydrophobicContact CZ3-CD 4.21Å; W75-K156 HydrophobicContact CZ3-CG 3.9Å; I76-K156 CarbonylContact O-C 3.58Å; I76-K156 WeakPolarHBondContact O-CA 3.37Å; I76-K156 WeakPolarHBondContact O-CB 3.48Å; A77-K156 HydrophobicContact CB-CB 3.97Å; K156-I170 CarbonylContact O-C 3.47Å; K156-I170 WeakPolarHBondContact O-CA 3.37Å; K156-C171 HydrophobicContact CG-CB 3.9Å; K156-C171 PolarHBondContact N-O 3.12Å; K156-C171 PolarHBondContact O-N 2.96Å; K156-Y173 HydrophobicContact CD-CE2 4.23Å; K156-Y173 VanDerWaalsContact CE-OH 3.24Å; K156-Y173 WeakPolarHBondContact CE-OH 3.25Å; K156-Y173 HydrophobicContact CG-CE2 4.1Å
157	V	98.6	Very high	92.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.3	177.3	60.4	0	0	0	0	110	P57 I76 L136 W140 V169 I170	P57-V157 HydrophobicContact CB-CB 4.36Å; P57-V157 HydrophobicContact CB-CG1 3.71Å; P57-V157 HydrophobicContact CB-CG2 3.65Å; P57-V157 HydrophobicContact CG-CG1 4.1Å; P57-V157 HydrophobicContact CG-CG2 4.08Å; I76-V157 HydrophobicContact CB-CG1 3.78Å; I76-V157 HydrophobicContact CD1-CG1 4.28Å; I76-V157 HydrophobicContact CG1-CG1 4.46Å; I76-V157 HydrophobicContact CG2-CG1 4.42Å; I76-V157 PolarHBondContact N-O 2.91Å; I76-V157 PolarHBondContact O-N 2.81Å; L136-V157 HydrophobicContact CD1-CG2 4.22Å; W140-V157 HydrophobicContact CD2-CB 4Å; W140-V157 HydrophobicContact CD2-CG1 3.43Å; W140-V157 VanDerWaalsContact CD2-CG1 3.43Å; W140-V157 HydrophobicContact CE3-CB 3.62Å; W140-V157 HydrophobicContact CE3-CG1 3.49Å; W140-V157 VanDerWaalsContact CE3-CG1 3.49Å; W140-V157 HydrophobicContact CG-CG1 4.02Å; W140-V157 HydrophobicContact CH2-CG1 3.9Å; W140-V157 HydrophobicContact CZ2-CG1 3.86Å; W140-V157 HydrophobicContact CZ3-CB 3.91Å; W140-V157 HydrophobicContact CZ3-CG1 3.73Å; V157-V169 WeakPolarHBondContact CA-O 3.24Å; V157-I170 HydrophobicContact CB-CG1 4.04Å; V157-I170 HydrophobicContact CB-CG2 4.49Å; V157-I170 HydrophobicContact CG2-CG1 3.67Å
158	S	97.9	Very high	92.2	Very high	22 Å²	22	48.9 Å²	48.9	15%	0.154	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-69.6	136.4	176.8	60.7	0	0	0	0	109.4	W75 Q168 V169	W75-S158 VanDerWaalsContact CZ3-N 3.31Å; S158-Q168 PolarHBondContact O-NE2 2.84Å; S158-Q168 WeakPolarHBondContact OG-CA 3.11Å; S158-Q168 WeakPolarHBondContact OG-CB 3.36Å; S158-V169 PolarHBondContact N-O 3.24Å; S158-V169 PolarHBondContact OG-N 3.25Å
159	P	96.6	Very high	92.2	Very high	6 Å²	6	49.1 Å²	49.1	4%	0.039	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-65	164.9	171.6	28.6	-33.8	0	0	0	111.3	V60 R62 V73 G74 N161 Q168	V60-P159 HydrophobicContact CB-CB 4.47Å; V60-P159 HydrophobicContact CG1-CB 3.98Å; V60-P159 CarbonylContact O-C 3.58Å; V60-P159 VanDerWaalsContact O-CB 3.26Å; V60-P159 WeakPolarHBondContact O-CB 3.21Å; R62-P159 HydrophobicContact CB-CG 4.01Å; V73-P159 HydrophobicContact CB-CG 4.38Å; V73-P159 HydrophobicContact CG1-CB 4.44Å; V73-P159 HydrophobicContact CG1-CG 4.31Å; V73-P159 VanDerWaalsContact O-CG 3.31Å; V73-P159 WeakPolarHBondContact O-CG 3.17Å; G74-P159 VanDerWaalsContact O-CD 3.23Å; G74-P159 WeakPolarHBondContact O-CD 3.2Å; P159-N161 PolarHBondContact O-N 3.3Å; P159-Q168 VanDerWaalsContact C-NE2 3.26Å
160	Y	95.2	Very high	92.3	Very high	62 Å²	62	44.7 Å²	44.7	24%	0.243	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-67.9	128	180	-179.8	-116.2	0	0	0	110.9	P57 V60 Y61 R62 S132 P162 Q168	P57-Y160 PolarHBondContact O-N 3.42Å; V60-Y160 PolarHBondContact O-N 2.85Å; Y61-Y160 CarbonylContact C-O 3.54Å; Y61-Y160 WeakPolarHBondContact CA-O 3.13Å; Y61-Y160 AromaticContact CD1-CD1 3.91Å; Y61-Y160 HydrophobicContact CD1-CD1 3.91Å; Y61-Y160 HydrophobicContact CD1-CE1 4.48Å; Y61-Y160 AromaticContact CE1-CD1 3.58Å; Y61-Y160 HydrophobicContact CE1-CD1 3.58Å; Y61-Y160 AromaticContact CE1-CE1 3.8Å; Y61-Y160 HydrophobicContact CE1-CE1 3.8Å; Y61-Y160 HydrophobicContact CE2-CD1 4.48Å; Y61-Y160 AromaticContact CZ-CD1 3.89Å; R62-Y160 PolarHBondContact N-O 2.87Å; S132-Y160 WeakPolarHBondContact OG-CD2 3.4Å; Y160-P162 HydrophobicContact CE1-CB 4Å; Y160-Q168 VanDerWaalsContact N-NE2 3.18Å
161	N	92.2	Very high	92.4	Very high	41 Å²	41	44.1 Å²	44.1	22%	0.219	23%	0.233	C	C	.	.			trans	-120.4	108.7	173.2	-178.9	1.5	0	0	0	109	R62 F63 P159 K163 A164	R62-N161 HydrophobicContact CB-CB 4.08Å; F63-N161 WeakPolarHBondContact CE2-OD1 3.37Å; P159-N161 PolarHBondContact O-N 3.3Å; N161-K163 PolarHBondContact O-N 3.29Å; N161-K163 VanDerWaalsContact O-N 3.15Å; N161-K163 WeakPolarHBondContact OD1-CB 3.05Å; N161-K163 PolarHBondContact OD1-N 2.58Å; N161-A164 HydrophobicContact CB-CB 3.97Å; N161-A164 PolarHBondContact O-N 3.2Å
162	P	86.4	Confident	92.5	Very high	76 Å²	76	39.3 Å²	39.3	49%	0.494	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.1	-179.7	28.4	-35.1	0	0	0	113.3	Y160	Y160-P162 HydrophobicContact CE1-CB 4Å
163	K	83.1	Confident	92.5	Very high	180 Å²	180	40.3 Å²	40.3	78%	0.783	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-8.6	178.6	-57.3	-178.8	179.1	179.4	0	113.7	N161	N161-K163 PolarHBondContact O-N 3.29Å; N161-K163 VanDerWaalsContact O-N 3.15Å; N161-K163 WeakPolarHBondContact OD1-CB 3.05Å; N161-K163 PolarHBondContact OD1-N 2.58Å
164	A	79.6	Confident	92.6	Very high	50 Å²	50	40.1 Å²	40.1	41%	0.413	21%	0.213	S	C	.	.	S	Bend	trans	-94.8	167.5	179.4	0	0	0	0	0	111.4	N161 G166	N161-A164 HydrophobicContact CB-CB 3.97Å; N161-A164 PolarHBondContact O-N 3.2Å; A164-G166 PolarHBondContact O-N 3.02Å
165	E	67.8	Low	92.5	Very high	132 Å²	132	42.1 Å²	42.1	62%	0.617	22%	0.222	S	C	*	.			trans	-63.1	38.6	-177	-64.1	177.6	-163.2	0	0	115.7	K167 R213	E165-K167 PolarHBondContact O-N 2.89Å; E165-R213 IonicContact OE1-NH2 2.68Å
166	G	77.4	Confident	92.4	Very high	43 Å²	43	43.9 Å²	43.9	44%	0.443	23%	0.232	S	C	.	.	S	Bend	trans	68.3	-3.9	169.5	0	0	0	0	0	116.4	A131 S132 A164	A131-G166 WeakPolarHBondContact CA-O 3.37Å; S132-G166 PolarHBondContact N-O 2.97Å; A164-G166 PolarHBondContact O-N 3.02Å
167	K	92.3	Very high	92.4	Very high	136 Å²	136	43.8 Å²	43.8	59%	0.591	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.8	177.9	-65.8	-178.8	-174.9	171.4	0	111.8	H129 L130 E165	H129-K167 HydrophobicContact CB-CD 4.3Å; L130-K167 CarbonylContact O-C 3.45Å; L130-K167 VanDerWaalsContact O-CA 3.22Å; L130-K167 WeakPolarHBondContact O-CA 3.49Å; E165-K167 PolarHBondContact O-N 2.89Å
168	Q	96.1	Very high	92.3	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.023	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	153.8	168.2	-71.3	169.6	-101.2	0	0	109.2	P57 H129 L130 S132 L136 S158 P159 Y160	P57-Q168 PolarHBondContact O-NE2 2.96Å; H129-Q168 WeakPolarHBondContact CA-O 3.35Å; L130-Q168 PolarHBondContact N-O 3.01Å; L130-Q168 PolarHBondContact O-N 2.86Å; S132-Q168 VanDerWaalsContact CB-OE1 3.26Å; S132-Q168 PolarHBondContact OG-OE1 3.28Å; S132-Q168 VanDerWaalsContact OG-OE1 3.05Å; L136-Q168 HydrophobicContact CD1-CB 3.92Å; L136-Q168 HydrophobicContact CD2-CB 3.58Å; L136-Q168 HydrophobicContact CD2-CG 3.97Å; L136-Q168 HydrophobicContact CG-CB 4.41Å; S158-Q168 PolarHBondContact O-NE2 2.84Å; S158-Q168 WeakPolarHBondContact OG-CA 3.11Å; S158-Q168 WeakPolarHBondContact OG-CB 3.36Å; P159-Q168 VanDerWaalsContact C-NE2 3.26Å; Y160-Q168 VanDerWaalsContact N-NE2 3.18Å
169	V	97.3	Very high	92.3	Very high	22 Å²	22	47.9 Å²	47.9	13%	0.133	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.9	-179.1	63.9	0	0	0	0	110.5	W75 L127 M128 V157 S158	W75-V169 HydrophobicContact CH2-CG1 3.88Å; W75-V169 HydrophobicContact CZ3-CG1 4.15Å; L127-V169 HydrophobicContact CB-CG2 4.23Å; L127-V169 HydrophobicContact CD2-CG2 3.99Å; M128-V169 CarbonylContact O-C 3.46Å; M128-V169 VanDerWaalsContact O-CA 3.31Å; M128-V169 WeakPolarHBondContact O-CA 3.48Å; V157-V169 WeakPolarHBondContact CA-O 3.24Å; S158-V169 PolarHBondContact N-O 3.24Å; S158-V169 PolarHBondContact OG-N 3.25Å
170	I	98.7	Very high	92.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.4	163.9	-49.3	166.4	0	0	0	107.7	M128 L130 L136 A139 W140 V143 K156 V157	M128-I170 HydrophobicContact CB-CB 4.14Å; M128-I170 HydrophobicContact CE-CB 3.69Å; M128-I170 HydrophobicContact CE-CG2 3.52Å; M128-I170 PolarHBondContact N-O 2.78Å; M128-I170 PolarHBondContact O-N 2.88Å; M128-I170 HydrophobicContact SD-CB 4.35Å; L130-I170 HydrophobicContact CD1-CD1 3.85Å; L130-I170 HydrophobicContact CD1-CG1 4.38Å; L136-I170 HydrophobicContact CD1-CD1 3.98Å; L136-I170 HydrophobicContact CD1-CG1 3.92Å; A139-I170 HydrophobicContact CB-CD1 3.99Å; W140-I170 HydrophobicContact CB-CD1 4.08Å; W140-I170 HydrophobicContact CE3-CG2 4.03Å; W140-I170 HydrophobicContact CZ3-CG2 4.38Å; V143-I170 HydrophobicContact CG2-CG2 3.81Å; K156-I170 CarbonylContact O-C 3.47Å; K156-I170 WeakPolarHBondContact O-CA 3.37Å; V157-I170 HydrophobicContact CB-CG1 4.04Å; V157-I170 HydrophobicContact CB-CG2 4.49Å; V157-I170 HydrophobicContact CG2-CG1 3.67Å
171	C	98.6	Very high	92.5	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.2	175.5	-56.1	0	0	0	0	108.9	K125 W126 L127 V155 K156 Y173	K125-C171 HydrophobicContact CB-CB 4.46Å; K125-C171 HydrophobicContact CD-CB 4.13Å; K125-C171 HydrophobicContact CG-CB 4.48Å; W126-C171 WeakPolarHBondContact O-CA 3.19Å; L127-C171 HydrophobicContact CD2-CB 4.49Å; L127-C171 VanDerWaalsContact CD2-SG 3.57Å; V155-C171 CarbonylContact C-O 3.59Å; V155-C171 VanDerWaalsContact CA-O 3.22Å; V155-C171 WeakPolarHBondContact CA-O 3.37Å; K156-C171 HydrophobicContact CG-CB 3.9Å; K156-C171 PolarHBondContact N-O 3.12Å; K156-C171 PolarHBondContact O-N 2.96Å; C171-Y173 HydrophobicContact CB-CD2 4.3Å; C171-Y173 HydrophobicContact CB-CE2 3.64Å
172	A	98.5	Very high	92.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.8	170.4	0	0	0	0	0	109.4	K125 W126 M128 I152 V155 L186 I190	K125-A172 CarbonylContact C-O 3.55Å; K125-A172 WeakPolarHBondContact CA-O 3.31Å; K125-A172 WeakPolarHBondContact CB-O 3.23Å; W126-A172 PolarHBondContact N-O 3.46Å; W126-A172 PolarHBondContact O-N 2.95Å; M128-A172 HydrophobicContact CE-CB 4.12Å; I152-A172 HydrophobicContact CD1-CB 4.43Å; I152-A172 HydrophobicContact CG2-CB 4.25Å; V155-A172 HydrophobicContact CG1-CB 3.93Å; A172-L186 HydrophobicContact CB-CD1 4.37Å; A172-L186 WeakPolarHBondContact O-CD2 3.41Å; A172-I190 HydrophobicContact CB-CD1 3.81Å; A172-I190 HydrophobicContact CB-CG1 4.22Å
173	Y	98.1	Very high	93.3	Very high	22 Å²	22	46.6 Å²	46.6	9%	0.086	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.2	-167.3	-75.2	-103.3	0	0	0	114	G124 K125 S153 L154 K156 C171 D204	G124-Y173 WeakPolarHBondContact O-CA 3.21Å; G124-Y173 WeakPolarHBondContact O-CD1 3.29Å; K125-Y173 HydrophobicContact CB-CD1 3.91Å; K125-Y173 HydrophobicContact CB-CD2 4.14Å; K125-Y173 HydrophobicContact CB-CE1 3.95Å; K125-Y173 HydrophobicContact CB-CE2 4.14Å; K125-Y173 HydrophobicContact CB-CG 4.04Å; K125-Y173 HydrophobicContact CD-CE1 4.02Å; K125-Y173 HydrophobicContact CD-CE2 4.26Å; K125-Y173 WeakPolarHBondContact CE-OH 3.34Å; K125-Y173 PolarHBondContact NZ-OH 3.28Å; S153-Y173 PolarHBondContact OG-O 2.75Å; L154-Y173 HydrophobicContact CB-CD2 4.33Å; L154-Y173 HydrophobicContact CB-CG 4.46Å; L154-Y173 HydrophobicContact CD2-CD1 4.44Å; L154-Y173 HydrophobicContact CD2-CD2 3.74Å; L154-Y173 HydrophobicContact CD2-CE2 3.96Å; L154-Y173 HydrophobicContact CD2-CG 3.99Å; L154-Y173 HydrophobicContact CG-CD2 3.75Å; L154-Y173 HydrophobicContact CG-CE2 4.24Å; L154-Y173 HydrophobicContact CG-CG 4.24Å; L154-Y173 PolarHBondContact O-N 3.43Å; K156-Y173 HydrophobicContact CD-CE2 4.23Å; K156-Y173 VanDerWaalsContact CE-OH 3.24Å; K156-Y173 WeakPolarHBondContact CE-OH 3.25Å; K156-Y173 HydrophobicContact CG-CE2 4.1Å; C171-Y173 HydrophobicContact CB-CD2 4.3Å; C171-Y173 HydrophobicContact CB-CE2 3.64Å; Y173-D204 WeakPolarHBondContact CE1-OD2 3.42Å
174	N	96.4	Very high	94	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.07	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	171.6	161.1	67.7	-71.8	0	0	0	110.3	G124 N176 E182 L186 Y201	G124-N174 PolarHBondContact N-O 3.11Å; G124-N174 PolarHBondContact O-N 3.03Å; G124-N174 VanDerWaalsContact O-N 3.09Å; N174-N176 PolarHBondContact ND2-N 3.18Å; N174-N176 PolarHBondContact ND2-O 3.25Å; N174-N176 VanDerWaalsContact ND2-O 3.07Å; N174-E182 HydrophobicContact CB-CB 4.38Å; N174-E182 PolarHBondContact ND2-OE2 2.89Å; N174-L186 HydrophobicContact CB-CD2 3.96Å; N174-Y201 PolarHBondContact ND2-OH 2.89Å; N174-Y201 VanDerWaalsContact OD1-CE2 3.28Å; N174-Y201 WeakPolarHBondContact OD1-CE2 3.24Å; N174-Y201 PolarHBondContact OD1-OH 3.34Å
175	Q	95.4	Very high	94.8	Very high	63 Å²	63	43 Å²	43	29%	0.294	22%	0.224	S	C	.	.	S	Bend	trans	-88.8	-28.8	-167.3	-63.2	-62	-11.7	0	0	113.2	C84 L122 S123 E182	C84-Q175 PolarHBondContact O-NE2 3.45Å; C84-Q175 PolarHBondContact SG-NE2 3.2Å; L122-Q175 CarbonylContact C-O 3.43Å; S123-Q175 WeakPolarHBondContact CA-O 3.44Å; S123-Q175 PolarHBondContact N-O 2.81Å; Q175-E182 PolarHBondContact N-OE2 2.83Å; Q175-E182 VanDerWaalsContact N-OE2 3.12Å
176	N	96.4	Very high	96.3	Very high	38 Å²	38	37 Å²	37	20%	0.203	20%	0.196	C	C	.	.			trans	-135.8	106.3	-177.4	-170.8	-2.2	0	0	0	112.9	L122 N174 T178 D179 E182	L122-N176 CarbonylContact O-C 3.58Å; L122-N176 WeakPolarHBondContact O-CA 3.48Å; N174-N176 PolarHBondContact ND2-N 3.18Å; N174-N176 PolarHBondContact ND2-O 3.25Å; N174-N176 VanDerWaalsContact ND2-O 3.07Å; N176-T178 PolarHBondContact ND2-OG1 3.14Å; N176-T178 PolarHBondContact O-N 3.11Å; N176-T178 WeakPolarHBondContact OD1-CB 3.45Å; N176-T178 PolarHBondContact OD1-N 2.97Å; N176-T178 PolarHBondContact OD1-OG1 3.38Å; N176-D179 HydrophobicContact CB-CB 4.18Å; N176-D179 PolarHBondContact O-N 2.85Å; N176-E182 PolarHBondContact N-OE2 3.33Å
177	F	97.8	Very high	97.3	Very high	3 Å²	3	35 Å²	35	1%	0.013	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16	175.9	78.4	-99.7	0	0	0	114	F109 K113 A116 L122 Y201 P203 V205 I223	F109-F177 HydrophobicContact CE2-CE2 4.45Å; K113-F177 HydrophobicContact CG-CE2 4.23Å; K113-F177 HydrophobicContact CG-CZ 4.38Å; A116-F177 HydrophobicContact CB-CE1 3.73Å; A116-F177 HydrophobicContact CB-CZ 3.71Å; L122-F177 HydrophobicContact CD2-CE1 4.38Å; L122-F177 WeakPolarHBondContact O-CD1 3.47Å; L122-F177 PolarHBondContact O-N 2.99Å; F177-Y201 WeakPolarHBondContact CA-OH 3.34Å; F177-Y201 HydrophobicContact CB-CE1 3.64Å; F177-Y201 VanDerWaalsContact CB-OH 3.24Å; F177-Y201 WeakPolarHBondContact CB-OH 3.32Å; F177-P203 HydrophobicContact CB-CB 4.43Å; F177-P203 HydrophobicContact CD1-CB 3.84Å; F177-P203 HydrophobicContact CD2-CB 4.14Å; F177-P203 HydrophobicContact CD2-CG 4.03Å; F177-P203 HydrophobicContact CE1-CB 4.12Å; F177-P203 HydrophobicContact CE2-CB 4.38Å; F177-P203 HydrophobicContact CE2-CG 4.39Å; F177-P203 HydrophobicContact CG-CB 3.9Å; F177-P203 HydrophobicContact CG-CG 4.17Å; F177-P203 HydrophobicContact CZ-CB 4.39Å; F177-V205 HydrophobicContact CE1-CG1 4.03Å; F177-V205 HydrophobicContact CZ-CG1 4.13Å; F177-I223 HydrophobicContact CD2-CD1 3.87Å
178	T	97.2	Very high	97.5	Very high	42 Å²	42	31.5 Å²	31.5	26%	0.258	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.1	177.9	73.2	0	0	0	0	112.4	K113 L117 L122 N176 E180	K113-T178 HydrophobicContact CG-CG2 4.32Å; L117-T178 HydrophobicContact CD2-CG2 4.18Å; L122-T178 HydrophobicContact CD2-CG2 4.4Å; N176-T178 PolarHBondContact ND2-OG1 3.14Å; N176-T178 PolarHBondContact O-N 3.11Å; N176-T178 WeakPolarHBondContact OD1-CB 3.45Å; N176-T178 PolarHBondContact OD1-N 2.97Å; N176-T178 PolarHBondContact OD1-OG1 3.38Å; T178-E180 PolarHBondContact O-N 2.88Å
179	D	97.8	Very high	97.6	Very high	66 Å²	66	34.5 Å²	34.5	35%	0.353	18%	0.181	S	C	.	.			trans	-87.7	100.4	169.3	-174.4	-25	0	0	0	109.1	N176 G181 E182 V183	N176-D179 HydrophobicContact CB-CB 4.18Å; N176-D179 PolarHBondContact O-N 2.85Å; D179-G181 PolarHBondContact O-N 3.44Å; D179-G181 VanDerWaalsContact OD1-CA 3.29Å; D179-G181 WeakPolarHBondContact OD1-CA 3.47Å; D179-G181 PolarHBondContact OD1-N 2.82Å; D179-E182 HydrophobicContact CB-CB 4.17Å; D179-E182 HydrophobicContact CB-CG 4.08Å; D179-E182 WeakPolarHBondContact O-CB 3.47Å; D179-E182 PolarHBondContact O-N 2.81Å; D179-E182 VanDerWaalsContact O-N 3.12Å; D179-E182 PolarHBondContact OD1-N 3.06Å; D179-E182 VanDerWaalsContact OD1-N 3.11Å; D179-V183 PolarHBondContact O-N 2.74Å
180	E	97.8	Very high	97.6	Very high	82 Å²	82	33.5 Å²	33.5	38%	0.383	18%	0.175	S	C	.	.	H	α-helix	trans	-58.5	-33	177.7	-173.3	173.9	91.2	0	0	112.2	T178 E182 V183 V184 V248	T178-E180 PolarHBondContact O-N 2.88Å; E180-E182 VanDerWaalsContact C-N 3.34Å; E180-E182 PolarHBondContact O-N 3.49Å; E180-V183 PolarHBondContact O-N 2.93Å; E180-V184 HydrophobicContact CG-CG2 4.28Å; E180-V184 VanDerWaalsContact O-CG2 3.28Å; E180-V184 WeakPolarHBondContact O-CG2 3.43Å; E180-V184 PolarHBondContact O-N 3.31Å; E180-V248 HydrophobicContact CG-CB 4.2Å; E180-V248 HydrophobicContact CG-CG1 4.34Å; E180-V248 HydrophobicContact CG-CG2 4.44Å; E180-V248 VanDerWaalsContact OE2-CG1 3.24Å; E180-V248 WeakPolarHBondContact OE2-CG1 3.41Å
181	G	98	Very high	97.5	Very high	33 Å²	33	34.6 Å²	34.6	34%	0.34	18%	0.179	S	C	.	.	H	α-helix	trans	-65.5	-35.4	176.9	0	0	0	0	0	112.7	D179 R185	D179-G181 PolarHBondContact O-N 3.44Å; D179-G181 VanDerWaalsContact OD1-CA 3.29Å; D179-G181 WeakPolarHBondContact OD1-CA 3.47Å; D179-G181 PolarHBondContact OD1-N 2.82Å; G181-R185 WeakPolarHBondContact O-CB 3.27Å; G181-R185 PolarHBondContact O-N 3.23Å
182	E	96.8	Very high	97.4	Very high	44 Å²	44	38.6 Å²	38.6	21%	0.206	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-43.3	170.8	-78.4	-167.3	-162.5	0	0	112.4	N174 Q175 N176 D179 E180 R185 L186	N174-E182 HydrophobicContact CB-CB 4.38Å; N174-E182 PolarHBondContact ND2-OE2 2.89Å; Q175-E182 PolarHBondContact N-OE2 2.83Å; Q175-E182 VanDerWaalsContact N-OE2 3.12Å; N176-E182 PolarHBondContact N-OE2 3.33Å; D179-E182 HydrophobicContact CB-CB 4.17Å; D179-E182 HydrophobicContact CB-CG 4.08Å; D179-E182 WeakPolarHBondContact O-CB 3.47Å; D179-E182 PolarHBondContact O-N 2.81Å; D179-E182 VanDerWaalsContact O-N 3.12Å; D179-E182 PolarHBondContact OD1-N 3.06Å; D179-E182 VanDerWaalsContact OD1-N 3.11Å; E180-E182 VanDerWaalsContact C-N 3.34Å; E180-E182 PolarHBondContact O-N 3.49Å; E182-R185 VanDerWaalsContact CG-NH2 3.35Å; E182-R185 PolarHBondContact O-N 3Å; E182-L186 WeakPolarHBondContact O-CB 3.09Å; E182-L186 PolarHBondContact O-N 2.68Å
183	V	98.1	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-47	-179.4	176.9	0	0	0	0	111.2	W126 D179 E180 L186 D187 Y201 Y224	W126-V183 HydrophobicContact CZ2-CG1 3.73Å; W126-V183 PolarHBondContact NE1-O 2.96Å; D179-V183 PolarHBondContact O-N 2.74Å; E180-V183 PolarHBondContact O-N 2.93Å; V183-L186 PolarHBondContact O-N 2.65Å; V183-D187 PolarHBondContact O-N 3.39Å; V183-D187 VanDerWaalsContact O-N 3.1Å; V183-Y201 HydrophobicContact CB-CE2 4.36Å; V183-Y201 HydrophobicContact CG1-CD2 3.78Å; V183-Y201 HydrophobicContact CG1-CE2 3.93Å; V183-Y201 HydrophobicContact CG1-CG 4.25Å; V183-Y201 HydrophobicContact CG2-CD2 4.46Å; V183-Y201 HydrophobicContact CG2-CE1 4.35Å; V183-Y201 HydrophobicContact CG2-CE2 3.84Å; V183-Y224 HydrophobicContact CB-CE2 4.41Å; V183-Y224 HydrophobicContact CG1-CD2 3.72Å; V183-Y224 HydrophobicContact CG1-CE2 3.99Å; V183-Y224 HydrophobicContact CG1-CG 4.06Å; V183-Y224 HydrophobicContact CG2-CD2 4.46Å; V183-Y224 HydrophobicContact CG2-CE2 4.02Å
184	V	97.8	Very high	97	Very high	33 Å²	33	41.4 Å²	41.4	20%	0.2	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-40.9	178.4	173.8	0	0	0	0	111.3	E180 D187 S188 I239 V248 T249	E180-V184 HydrophobicContact CG-CG2 4.28Å; E180-V184 VanDerWaalsContact O-CG2 3.28Å; E180-V184 WeakPolarHBondContact O-CG2 3.43Å; E180-V184 PolarHBondContact O-N 3.31Å; V184-D187 PolarHBondContact O-N 3.47Å; V184-S188 PolarHBondContact O-N 2.75Å; V184-S188 PolarHBondContact O-OG 2.97Å; V184-I239 HydrophobicContact CB-CD1 4.28Å; V184-I239 HydrophobicContact CG1-CD1 4.25Å; V184-I239 HydrophobicContact CG2-CD1 4.05Å; V184-V248 HydrophobicContact CG2-CG2 3.86Å; V184-T249 HydrophobicContact CG1-CG2 4.14Å
185	R	97.4	Very high	97	Very high	121 Å²	121	41.2 Å²	41.2	46%	0.457	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-40.4	177.3	174.7	168.9	45.2	-114.2	-3.7	111.8	G181 E182 S188 F189	G181-R185 WeakPolarHBondContact O-CB 3.27Å; G181-R185 PolarHBondContact O-N 3.23Å; E182-R185 VanDerWaalsContact CG-NH2 3.35Å; E182-R185 PolarHBondContact O-N 3Å; R185-S188 WeakPolarHBondContact O-CB 3.21Å; R185-S188 PolarHBondContact O-N 3.09Å; R185-F189 HydrophobicContact CG-CD2 4.08Å; R185-F189 HydrophobicContact CG-CE2 3.48Å; R185-F189 VanDerWaalsContact CG-CE2 3.48Å; R185-F189 HydrophobicContact CG-CZ 3.81Å; R185-F189 WeakPolarHBondContact O-CD2 3.44Å; R185-F189 WeakPolarHBondContact O-CG 3.28Å; R185-F189 PolarHBondContact O-N 2.71Å
186	L	97.9	Very high	97	Very high	6 Å²	6	44 Å²	44	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-42.4	176.1	-177.6	62.3	0	0	0	111.9	I152 A172 N174 E182 V183 S188 F189 I190	I152-L186 HydrophobicContact CB-CD1 4.36Å; I152-L186 HydrophobicContact CD1-CD1 4.18Å; I152-L186 HydrophobicContact CG1-CD1 3.86Å; I152-L186 HydrophobicContact CG2-CD1 3.85Å; A172-L186 HydrophobicContact CB-CD1 4.37Å; A172-L186 WeakPolarHBondContact O-CD2 3.41Å; N174-L186 HydrophobicContact CB-CD2 3.96Å; E182-L186 WeakPolarHBondContact O-CB 3.09Å; E182-L186 PolarHBondContact O-N 2.68Å; V183-L186 PolarHBondContact O-N 2.65Å; L186-S188 VanDerWaalsContact C-N 3.31Å; L186-S188 PolarHBondContact O-N 3.37Å; L186-F189 PolarHBondContact O-N 2.93Å; L186-I190 HydrophobicContact CG-CD1 4.16Å; L186-I190 VanDerWaalsContact O-CG1 3.32Å; L186-I190 WeakPolarHBondContact O-CG1 3.46Å; L186-I190 PolarHBondContact O-N 3.16Å
187	D	98.3	Very high	96.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.011	25%	0.25	C	S	.	.	H	α-helix	trans	-55.4	-48.7	171	172	86.6	0	0	0	110.5	W126 V183 V184 F189 I190 R191 L199 S226 S237 I239	W126-D187 HydrophobicContact CZ2-CB 4.25Å; V183-D187 PolarHBondContact O-N 3.39Å; V183-D187 VanDerWaalsContact O-N 3.1Å; V184-D187 PolarHBondContact O-N 3.47Å; D187-F189 VanDerWaalsContact C-N 3.3Å; D187-F189 PolarHBondContact O-N 3.38Å; D187-I190 CarbonylContact O-C 3.59Å; D187-I190 WeakPolarHBondContact O-CA 3.42Å; D187-I190 WeakPolarHBondContact O-CB 3.45Å; D187-I190 PolarHBondContact O-N 3.32Å; D187-R191 WeakPolarHBondContact O-CG 3.23Å; D187-R191 PolarHBondContact O-N 2.97Å; D187-R191 IonicContact OD1-CZ 2.74Å; D187-R191 IonicContact OD1-NE 3.81Å; D187-R191 PolarHBondContact OD1-NE 2.74Å; D187-R191 IonicContact OD1-NH2 2.74Å; D187-L199 VanDerWaalsContact OD1-CD1 3.25Å; D187-L199 WeakPolarHBondContact OD1-CD1 3.43Å; D187-S226 VanDerWaalsContact OD1-CB 3.24Å; D187-S226 WeakPolarHBondContact OD1-CB 3.34Å; D187-S226 PolarHBondContact OD1-OG 3.1Å; D187-S237 VanDerWaalsContact CG-OG 3.3Å; D187-S237 PolarHBondContact OD1-OG 3.26Å; D187-S237 WeakPolarHBondContact OD2-CB 3.17Å; D187-S237 PolarHBondContact OD2-OG 2.78Å; D187-I239 HydrophobicContact CB-CD1 3.59Å
188	S	96.9	Very high	96.9	Very high	61 Å²	61	47.9 Å²	47.9	43%	0.427	28%	0.28	S	S	.	.	H	α-helix	trans	-57.7	-41.5	179.9	-60.9	0	0	0	0	112.3	V184 R185 L186 R191 A192	V184-S188 PolarHBondContact O-N 2.75Å; V184-S188 PolarHBondContact O-OG 2.97Å; R185-S188 WeakPolarHBondContact O-CB 3.21Å; R185-S188 PolarHBondContact O-N 3.09Å; L186-S188 VanDerWaalsContact C-N 3.31Å; L186-S188 PolarHBondContact O-N 3.37Å; S188-R191 PolarHBondContact O-N 2.8Å; S188-A192 VanDerWaalsContact O-CB 3.31Å; S188-A192 WeakPolarHBondContact O-CB 3.29Å; S188-A192 PolarHBondContact O-N 2.99Å
189	F	97.6	Very high	96.9	Very high	69 Å²	69	45.9 Å²	45.9	30%	0.303	27%	0.268	S	S	.	.	H	α-helix	trans	-64.5	-41.3	174.6	-67.5	-39.4	0	0	0	112.5	K151 I152 R185 L186 D187 A192 T193	K151-F189 HydrophobicContact CB-CD1 4.14Å; K151-F189 HydrophobicContact CB-CD2 4.24Å; K151-F189 HydrophobicContact CB-CE1 4.4Å; K151-F189 HydrophobicContact CB-CE2 4.47Å; K151-F189 HydrophobicContact CB-CG 4.07Å; K151-F189 HydrophobicContact CD-CD1 4.47Å; K151-F189 HydrophobicContact CG-CD1 4.43Å; K151-F189 HydrophobicContact CG-CE1 4.47Å; K151-F189 WeakPolarHBondContact O-CD2 3.48Å; K151-F189 VanDerWaalsContact O-CE2 3.23Å; K151-F189 WeakPolarHBondContact O-CE2 3.44Å; I152-F189 HydrophobicContact CG1-CB 4.28Å; R185-F189 HydrophobicContact CG-CD2 4.08Å; R185-F189 HydrophobicContact CG-CE2 3.48Å; R185-F189 VanDerWaalsContact CG-CE2 3.48Å; R185-F189 HydrophobicContact CG-CZ 3.81Å; R185-F189 WeakPolarHBondContact O-CD2 3.44Å; R185-F189 WeakPolarHBondContact O-CG 3.28Å; R185-F189 PolarHBondContact O-N 2.71Å; L186-F189 PolarHBondContact O-N 2.93Å; D187-F189 VanDerWaalsContact C-N 3.3Å; D187-F189 PolarHBondContact O-N 3.38Å; F189-A192 PolarHBondContact O-N 3.46Å; F189-T193 VanDerWaalsContact O-CG2 3.23Å; F189-T193 WeakPolarHBondContact O-CG2 3.3Å; F189-T193 PolarHBondContact O-N 2.88Å
190	I	97.9	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-46.4	175.4	-65.3	162.7	0	0	0	110.6	W126 M128 I152 A172 L186 D187 A192 T193 V195 L199	W126-I190 HydrophobicContact CB-CD1 3.65Å; W126-I190 HydrophobicContact CG-CD1 3.95Å; M128-I190 HydrophobicContact SD-CG2 3.92Å; I152-I190 HydrophobicContact CD1-CG1 4.26Å; A172-I190 HydrophobicContact CB-CD1 3.81Å; A172-I190 HydrophobicContact CB-CG1 4.22Å; L186-I190 HydrophobicContact CG-CD1 4.16Å; L186-I190 VanDerWaalsContact O-CG1 3.32Å; L186-I190 WeakPolarHBondContact O-CG1 3.46Å; L186-I190 PolarHBondContact O-N 3.16Å; D187-I190 CarbonylContact O-C 3.59Å; D187-I190 WeakPolarHBondContact O-CA 3.42Å; D187-I190 WeakPolarHBondContact O-CB 3.45Å; D187-I190 PolarHBondContact O-N 3.32Å; I190-A192 VanDerWaalsContact C-N 3.31Å; I190-A192 PolarHBondContact O-N 3.4Å; I190-T193 PolarHBondContact O-N 3.42Å; I190-T193 VanDerWaalsContact O-N 3.15Å; I190-T193 PolarHBondContact O-OG1 3.24Å; I190-V195 HydrophobicContact CG2-CB 3.8Å; I190-V195 HydrophobicContact CG2-CG1 3.89Å; I190-V195 HydrophobicContact CG2-CG2 4.32Å; I190-L199 HydrophobicContact CB-CD1 4.46Å; I190-L199 HydrophobicContact CD1-CD1 4.26Å; I190-L199 HydrophobicContact CG2-CD1 4.02Å; I190-L199 HydrophobicContact CG2-CD2 4.31Å
191	R	96.8	Very high	97	Very high	24 Å²	24	40.7 Å²	40.7	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-37.3	179.3	-62.4	-44.3	-172.2	178.7	1.1	112.3	D187 S188 T193 G194 V195 C197 S226 F228 S237	D187-R191 WeakPolarHBondContact O-CG 3.23Å; D187-R191 PolarHBondContact O-N 2.97Å; D187-R191 IonicContact OD1-CZ 2.74Å; D187-R191 IonicContact OD1-NE 3.81Å; D187-R191 PolarHBondContact OD1-NE 2.74Å; D187-R191 IonicContact OD1-NH2 2.74Å; S188-R191 PolarHBondContact O-N 2.8Å; R191-T193 PolarHBondContact O-N 2.8Å; R191-G194 PolarHBondContact O-N 3.39Å; R191-V195 WeakPolarHBondContact CD-O 3.31Å; R191-V195 PolarHBondContact NH1-O 3.48Å; R191-C197 PolarHBondContact NH1-O 3.35Å; R191-C197 PolarHBondContact NH2-O 3.31Å; R191-S226 PolarHBondContact NH2-O 2.89Å; R191-S226 VanDerWaalsContact NH2-O 3.12Å; R191-S226 PolarHBondContact NH2-OG 3.17Å; R191-F228 HydrophobicContact CG-CD2 4.48Å; R191-S237 PolarHBondContact NE-OG 2.74Å
192	A	95.9	Very high	97.1	Very high	88 Å²	88	39.7 Å²	39.7	73%	0.727	23%	0.232	S	C	*	.	H	α-helix	trans	-62.9	-19.8	177	0	0	0	0	0	113.4	S188 F189 I190 G194	S188-A192 VanDerWaalsContact O-CB 3.31Å; S188-A192 WeakPolarHBondContact O-CB 3.29Å; S188-A192 PolarHBondContact O-N 2.99Å; F189-A192 PolarHBondContact O-N 3.46Å; I190-A192 VanDerWaalsContact C-N 3.31Å; I190-A192 PolarHBondContact O-N 3.4Å; A192-G194 VanDerWaalsContact C-N 3.28Å
193	T	95.8	Very high	97.1	Very high	31 Å²	31	37.6 Å²	37.6	19%	0.19	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.5	174	82	0	0	0	0	113.4	V143 A146 F189 I190 R191	V143-T193 HydrophobicContact CG1-CG2 4.4Å; A146-T193 HydrophobicContact CB-CG2 3.82Å; F189-T193 VanDerWaalsContact O-CG2 3.23Å; F189-T193 WeakPolarHBondContact O-CG2 3.3Å; F189-T193 PolarHBondContact O-N 2.88Å; I190-T193 PolarHBondContact O-N 3.42Å; I190-T193 VanDerWaalsContact O-N 3.15Å; I190-T193 PolarHBondContact O-OG1 3.24Å; R191-T193 PolarHBondContact O-N 2.8Å
194	G	94	Very high	97.1	Very high	50 Å²	50	37.9 Å²	37.9	52%	0.515	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	4.7	-178.8	0	0	0	0	0	114.7	R191 A192 K196	R191-G194 PolarHBondContact O-N 3.39Å; A192-G194 VanDerWaalsContact C-N 3.28Å; G194-K196 PolarHBondContact O-N 3.03Å
195	V	95.3	Very high	97.1	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.055	22%	0.215	C	C	.	.			trans	-71.5	119.5	176.3	173.5	0	0	0	0	111.1	M128 A139 V143 I190 R191 C197 L199	M128-V195 HydrophobicContact CG-CG1 4.36Å; M128-V195 HydrophobicContact SD-CG1 3.95Å; M128-V195 HydrophobicContact SD-CG2 4.47Å; A139-V195 HydrophobicContact CB-CG2 4.22Å; V143-V195 HydrophobicContact CG1-CG2 4.08Å; I190-V195 HydrophobicContact CG2-CB 3.8Å; I190-V195 HydrophobicContact CG2-CG1 3.89Å; I190-V195 HydrophobicContact CG2-CG2 4.32Å; R191-V195 WeakPolarHBondContact CD-O 3.31Å; R191-V195 PolarHBondContact NH1-O 3.48Å; V195-C197 VanDerWaalsContact CG1-SG 3.59Å; V195-L199 HydrophobicContact CG1-CD2 4.21Å
196	K	94.9	Very high	97.2	Very high	121 Å²	121	30.8 Å²	30.8	53%	0.526	19%	0.194	S	C	.	.			trans	-115.7	-2.4	-177.1	-60.9	176.4	-174.9	176.3	0	114.2	G194 F228 L230	G194-K196 PolarHBondContact O-N 3.03Å; K196-F228 HydrophobicContact CB-CB 4.3Å; K196-F228 HydrophobicContact CB-CD1 3.91Å; K196-F228 HydrophobicContact CB-CE1 4.4Å; K196-F228 HydrophobicContact CB-CG 4.02Å; K196-F228 HydrophobicContact CD-CD1 4.07Å; K196-F228 HydrophobicContact CD-CE1 3.78Å; K196-F228 HydrophobicContact CD-CZ 4.31Å; K196-F228 HydrophobicContact CG-CD1 3.74Å; K196-F228 HydrophobicContact CG-CD2 4.33Å; K196-F228 HydrophobicContact CG-CE1 3.71Å; K196-F228 HydrophobicContact CG-CE2 4.29Å; K196-F228 HydrophobicContact CG-CG 4.04Å; K196-F228 HydrophobicContact CG-CZ 3.99Å; K196-F228 WeakPolarHBondContact O-CB 3.26Å; K196-L230 HydrophobicContact CD-CD2 4.35Å
197	C	95.1	Very high	97.1	Very high	26 Å²	26	31.9 Å²	31.9	18%	0.176	20%	0.201	C	C	.	.	S	Bend	trans	-65.4	157.8	177.3	65.6	0	0	0	0	110.8	R191 V195 L199	R191-C197 PolarHBondContact NH1-O 3.35Å; R191-C197 PolarHBondContact NH2-O 3.31Å; V195-C197 VanDerWaalsContact CG1-SG 3.59Å; C197-L199 PolarHBondContact O-N 3.23Å
198	P	97	Very high	97	Very high	97 Å²	97	36 Å²	36	63%	0.63	22%	0.217	S	C	*	.			trans	-55.5	139	168.4	-23.5	34.2	0	0	0	110.4
199	L	98.5	Very high	97	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	145.6	172.7	-40.2	176.8	0	0	0	109	W126 L127 M128 D187 I190 V195 C197 E225 S226	W126-L199 HydrophobicContact CD2-CB 4.01Å; W126-L199 HydrophobicContact CD2-CD1 4.3Å; W126-L199 HydrophobicContact CE3-CB 3.28Å; W126-L199 HydrophobicContact CE3-CD1 4.38Å; W126-L199 HydrophobicContact CE3-CG 4.46Å; W126-L199 HydrophobicContact CG-CD1 4.48Å; W126-L199 HydrophobicContact CZ3-CB 3.67Å; W126-L199 WeakPolarHBondContact CZ3-O 3.31Å; L127-L199 WeakPolarHBondContact O-CA 3.49Å; M128-L199 HydrophobicContact CB-CD2 4.46Å; M128-L199 HydrophobicContact CG-CD2 3.3Å; M128-L199 HydrophobicContact SD-CD2 4.26Å; D187-L199 VanDerWaalsContact OD1-CD1 3.25Å; D187-L199 WeakPolarHBondContact OD1-CD1 3.43Å; I190-L199 HydrophobicContact CB-CD1 4.46Å; I190-L199 HydrophobicContact CD1-CD1 4.26Å; I190-L199 HydrophobicContact CG2-CD1 4.02Å; I190-L199 HydrophobicContact CG2-CD2 4.31Å; V195-L199 HydrophobicContact CG1-CD2 4.21Å; C197-L199 PolarHBondContact O-N 3.23Å; L199-E225 WeakPolarHBondContact O-CA 3.19Å; L199-S226 PolarHBondContact N-O 3.34Å; L199-S226 PolarHBondContact O-N 3.02Å
200	S	98.6	Very high	96.9	Very high	39 Å²	39	31.1 Å²	31.1	27%	0.273	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.2	171.4	-61.9	0	0	0	0	110.3	L127	L127-S200 VanDerWaalsContact CB-O 3.3Å; L127-S200 WeakPolarHBondContact CB-O 3.37Å; L127-S200 WeakPolarHBondContact CG-O 3.39Å; L127-S200 PolarHBondContact N-O 3.39Å; L127-S200 PolarHBondContact O-N 2.9Å; L127-S200 VanDerWaalsContact O-N 3.14Å
201	Y	98.8	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.3	-175.3	-169.8	-81.9	0	0	0	111.1	G124 K125 W126 N174 F177 V183 P203 T222 I223 Y224	G124-Y201 VanDerWaalsContact CA-OH 3.32Å; G124-Y201 WeakPolarHBondContact CA-OH 3.34Å; K125-Y201 CarbonylContact O-C 3.42Å; K125-Y201 WeakPolarHBondContact O-CA 3.05Å; W126-Y201 AromaticContact CD1-CD2 3.85Å; W126-Y201 AromaticContact CD2-CD2 3.73Å; W126-Y201 HydrophobicContact CD2-CD2 3.73Å; W126-Y201 HydrophobicContact CD2-CG 4.35Å; W126-Y201 AromaticContact CE2-CD2 3.69Å; W126-Y201 HydrophobicContact CE3-CD2 4.31Å; W126-Y201 HydrophobicContact CE3-CG 4.5Å; W126-Y201 AromaticContact CG-CD2 3.86Å; W126-Y201 HydrophobicContact CG-CD2 3.86Å; W126-Y201 HydrophobicContact CZ2-CD2 4.26Å; W126-Y201 AromaticContact NE1-CD2 3.74Å; N174-Y201 PolarHBondContact ND2-OH 2.89Å; N174-Y201 VanDerWaalsContact OD1-CE2 3.28Å; N174-Y201 WeakPolarHBondContact OD1-CE2 3.24Å; N174-Y201 PolarHBondContact OD1-OH 3.34Å; F177-Y201 WeakPolarHBondContact CA-OH 3.34Å; F177-Y201 HydrophobicContact CB-CE1 3.64Å; F177-Y201 VanDerWaalsContact CB-OH 3.24Å; F177-Y201 WeakPolarHBondContact CB-OH 3.32Å; V183-Y201 HydrophobicContact CB-CE2 4.36Å; V183-Y201 HydrophobicContact CG1-CD2 3.78Å; V183-Y201 HydrophobicContact CG1-CE2 3.93Å; V183-Y201 HydrophobicContact CG1-CG 4.25Å; V183-Y201 HydrophobicContact CG2-CD2 4.46Å; V183-Y201 HydrophobicContact CG2-CE1 4.35Å; V183-Y201 HydrophobicContact CG2-CE2 3.84Å; Y201-P203 HydrophobicContact CE1-CG 4.46Å; Y201-T222 CarbonylContact O-C 3.49Å; Y201-T222 WeakPolarHBondContact O-CA 3.47Å; Y201-T222 VanDerWaalsContact O-CB 3.23Å; Y201-T222 WeakPolarHBondContact O-CB 3.4Å; Y201-I223 HydrophobicContact CD1-CD1 4.16Å; Y201-I223 HydrophobicContact CD1-CG1 3.78Å; Y201-I223 HydrophobicContact CE1-CD1 4.32Å; Y201-I223 HydrophobicContact CE1-CG1 4.41Å; Y201-I223 PolarHBondContact O-N 3.12Å; Y201-Y224 AromaticContact CD1-CD2 3.84Å; Y201-Y224 HydrophobicContact CD1-CD2 3.84Å; Y201-Y224 HydrophobicContact CD1-CE2 4.45Å; Y201-Y224 AromaticContact CG-CD2 3.93Å; Y201-Y224 HydrophobicContact CG-CD2 3.93Å; Y201-Y224 PolarHBondContact N-O 3.34Å
202	K	98.6	Very high	96.9	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.9	177.3	-177.8	168	-173.2	-179.2	0	110.7	K125 L127 T207 I211 P221 T222	K125-K202 PolarHBondContact N-O 2.85Å; K125-K202 PolarHBondContact O-N 3.09Å; L127-K202 HydrophobicContact CD1-CB 3.98Å; K202-T207 WeakPolarHBondContact CE-OG1 3.44Å; K202-I211 WeakPolarHBondContact CE-O 3.42Å; K202-I211 PolarHBondContact NZ-O 2.87Å; K202-P221 WeakPolarHBondContact CG-O 3.48Å; K202-T222 HydrophobicContact CB-CG2 4.38Å
203	P	98.4	Very high	96.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	143.3	169	-22.9	37.2	0	0	0	111.3	F177 Y201 V205 Y206 I223	F177-P203 HydrophobicContact CB-CB 4.43Å; F177-P203 HydrophobicContact CD1-CB 3.84Å; F177-P203 HydrophobicContact CD2-CB 4.14Å; F177-P203 HydrophobicContact CD2-CG 4.03Å; F177-P203 HydrophobicContact CE1-CB 4.12Å; F177-P203 HydrophobicContact CE2-CB 4.38Å; F177-P203 HydrophobicContact CE2-CG 4.39Å; F177-P203 HydrophobicContact CG-CB 3.9Å; F177-P203 HydrophobicContact CG-CG 4.17Å; F177-P203 HydrophobicContact CZ-CB 4.39Å; Y201-P203 HydrophobicContact CE1-CG 4.46Å; P203-V205 HydrophobicContact CB-CG1 3.72Å; P203-V205 PolarHBondContact O-N 3.46Å; P203-Y206 HydrophobicContact CG-CD2 4.49Å; P203-Y206 WeakPolarHBondContact O-CB 3.3Å; P203-Y206 PolarHBondContact O-N 3.41Å; P203-Y206 VanDerWaalsContact O-N 3.09Å; P203-I223 HydrophobicContact CG-CD1 3.48Å; P203-I223 VanDerWaalsContact CG-CD1 3.48Å; P203-I223 HydrophobicContact CG-CG1 3.74Å; P203-I223 HydrophobicContact CG-CG2 4.03Å
204	D	97.2	Very high	96.6	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-30.3	178.5	-81	-38.8	0	0	0	112.6	S123 K125 Y173 Y206 T207 Y208	S123-D204 WeakPolarHBondContact CB-OD2 3.43Å; S123-D204 WeakPolarHBondContact O-CB 3.35Å; S123-D204 PolarHBondContact O-N 2.86Å; S123-D204 PolarHBondContact OG-OD2 2.87Å; K125-D204 WeakPolarHBondContact CE-OD1 3.27Å; K125-D204 IonicContact NZ-OD1 2.65Å; K125-D204 PolarHBondContact NZ-OD1 3.35Å; Y173-D204 WeakPolarHBondContact CE1-OD2 3.42Å; D204-Y206 PolarHBondContact O-N 2.93Å; D204-Y206 VanDerWaalsContact O-N 3.16Å; D204-T207 WeakPolarHBondContact O-CA 3.44Å; D204-T207 WeakPolarHBondContact O-CB 3.29Å; D204-T207 PolarHBondContact O-N 2.78Å; D204-Y208 HydrophobicContact CB-CD2 4.14Å; D204-Y208 HydrophobicContact CB-CE2 3.77Å; D204-Y208 WeakPolarHBondContact O-CD2 3.44Å; D204-Y208 PolarHBondContact O-N 2.74Å
205	V	98.3	Very high	96.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-53.1	-36.7	172.1	63.7	0	0	0	0	111.9	L93 V112 A116 V121 F177 P203 T207 Y208 L209	L93-V205 HydrophobicContact CD1-CG2 3.95Å; L93-V205 HydrophobicContact CD2-CG2 3.92Å; V112-V205 HydrophobicContact CG1-CB 4.46Å; V112-V205 HydrophobicContact CG1-CG1 3.94Å; V112-V205 HydrophobicContact CG1-CG2 3.67Å; A116-V205 HydrophobicContact CB-CB 3.95Å; A116-V205 HydrophobicContact CB-CG1 4Å; A116-V205 HydrophobicContact CB-CG2 3.98Å; V121-V205 HydrophobicContact CG1-CB 4.47Å; F177-V205 HydrophobicContact CE1-CG1 4.03Å; F177-V205 HydrophobicContact CZ-CG1 4.13Å; P203-V205 HydrophobicContact CB-CG1 3.72Å; P203-V205 PolarHBondContact O-N 3.46Å; V205-T207 VanDerWaalsContact C-N 3.34Å; V205-T207 PolarHBondContact O-N 2.79Å; V205-Y208 PolarHBondContact O-N 3.07Å; V205-L209 HydrophobicContact CG2-CD1 3.71Å; V205-L209 HydrophobicContact CG2-CG 4.11Å; V205-L209 WeakPolarHBondContact O-CB 3.41Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 3.35Å
206	Y	98.4	Very high	96.6	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-69.1	-32.9	176	-75.1	2.8	0	0	0	112.5	F109 V112 P203 D204 G210 I211 C220 I223	F109-Y206 WeakPolarHBondContact CD2-OH 2.79Å; V112-Y206 HydrophobicContact CB-CE1 4.08Å; V112-Y206 HydrophobicContact CG1-CD1 3.75Å; V112-Y206 HydrophobicContact CG1-CE1 3.58Å; P203-Y206 HydrophobicContact CG-CD2 4.49Å; P203-Y206 WeakPolarHBondContact O-CB 3.3Å; P203-Y206 PolarHBondContact O-N 3.41Å; P203-Y206 VanDerWaalsContact O-N 3.09Å; D204-Y206 PolarHBondContact O-N 2.93Å; D204-Y206 VanDerWaalsContact O-N 3.16Å; Y206-G210 PolarHBondContact O-N 2.99Å; Y206-I211 HydrophobicContact CD1-CB 4.4Å; Y206-I211 HydrophobicContact CD1-CD1 3.81Å; Y206-I211 HydrophobicContact CD1-CG2 4.48Å; Y206-I211 HydrophobicContact CD2-CG2 4.28Å; Y206-I211 HydrophobicContact CE1-CD1 4.15Å; Y206-I211 HydrophobicContact CG-CB 4.16Å; Y206-I211 HydrophobicContact CG-CD1 4.43Å; Y206-I211 HydrophobicContact CG-CG2 4.19Å; Y206-I211 WeakPolarHBondContact O-CA 3.49Å; Y206-I211 PolarHBondContact O-N 3Å; Y206-C220 VanDerWaalsContact CE2-O 3.28Å; Y206-C220 WeakPolarHBondContact CE2-O 3.49Å; Y206-I223 HydrophobicContact CE2-CG2 3.8Å
207	T	96.3	Very high	96.6	Very high	29 Å²	29	34.8 Å²	34.8	18%	0.178	19%	0.185	C	C	.	.	H	α-helix	trans	-68.7	-48.9	173.9	-78.2	0	0	0	0	110.6	K202 D204 V205 L209 G210	K202-T207 WeakPolarHBondContact CE-OG1 3.44Å; D204-T207 WeakPolarHBondContact O-CA 3.44Å; D204-T207 WeakPolarHBondContact O-CB 3.29Å; D204-T207 PolarHBondContact O-N 2.78Å; V205-T207 VanDerWaalsContact C-N 3.34Å; V205-T207 PolarHBondContact O-N 2.79Å; T207-L209 VanDerWaalsContact C-N 3.27Å; T207-L209 PolarHBondContact O-N 3.32Å; T207-G210 PolarHBondContact O-N 2.8Å; T207-G210 VanDerWaalsContact O-N 3.15Å
208	Y	96.7	Very high	96.6	Very high	89 Å²	89	42 Å²	42	35%	0.349	21%	0.214	S	C	.	.	H	α-helix	trans	-64.3	-29.9	-179.1	-66.7	-57.8	0	0	0	113.9	V90 V121 D204 V205	V90-Y208 HydrophobicContact CG1-CD1 3.68Å; V90-Y208 HydrophobicContact CG1-CE1 4.12Å; V90-Y208 HydrophobicContact CG1-CG 3.93Å; V90-Y208 HydrophobicContact CG2-CD1 4.35Å; V90-Y208 HydrophobicContact CG2-CD2 4.32Å; V90-Y208 HydrophobicContact CG2-CE1 4.13Å; V90-Y208 HydrophobicContact CG2-CE2 4.06Å; V90-Y208 HydrophobicContact CG2-CG 4.45Å; V121-Y208 HydrophobicContact CG1-CD2 3.52Å; V121-Y208 HydrophobicContact CG1-CE2 3.68Å; D204-Y208 HydrophobicContact CB-CD2 4.14Å; D204-Y208 HydrophobicContact CB-CE2 3.77Å; D204-Y208 WeakPolarHBondContact O-CD2 3.44Å; D204-Y208 PolarHBondContact O-N 2.74Å; V205-Y208 PolarHBondContact O-N 3.07Å
209	L	96.9	Very high	96.6	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.058	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	7.4	177.9	-60.1	-175.6	0	0	0	113.9	L93 W97 V112 V205 T207 I211	L93-L209 HydrophobicContact CD1-CD1 4.34Å; L93-L209 HydrophobicContact CD1-CD2 4.2Å; L93-L209 HydrophobicContact CD2-CD2 4.21Å; L93-L209 HydrophobicContact CD2-CG 4.43Å; L93-L209 HydrophobicContact CG-CD2 3.87Å; L93-L209 HydrophobicContact CG-CG 4.47Å; W97-L209 HydrophobicContact CB-CD2 3.55Å; W97-L209 HydrophobicContact CD2-CB 4.44Å; W97-L209 HydrophobicContact CD2-CD1 3.87Å; W97-L209 HydrophobicContact CD2-CD2 4.05Å; W97-L209 HydrophobicContact CD2-CG 4.34Å; W97-L209 HydrophobicContact CE3-CD1 3.77Å; W97-L209 HydrophobicContact CG-CD1 4.25Å; W97-L209 HydrophobicContact CG-CD2 3.54Å; W97-L209 HydrophobicContact CG-CG 4.33Å; W97-L209 HydrophobicContact CZ3-CD1 4.16Å; V112-L209 HydrophobicContact CG1-CD1 3.89Å; V205-L209 HydrophobicContact CG2-CD1 3.71Å; V205-L209 HydrophobicContact CG2-CG 4.11Å; V205-L209 WeakPolarHBondContact O-CB 3.41Å; V205-L209 WeakPolarHBondContact O-CG 3.36Å; V205-L209 PolarHBondContact O-N 3.35Å; T207-L209 VanDerWaalsContact C-N 3.27Å; T207-L209 PolarHBondContact O-N 3.32Å; L209-I211 VanDerWaalsContact C-N 3.25Å; L209-I211 HydrophobicContact CB-CD1 4.13Å; L209-I211 HydrophobicContact CB-CG1 4.17Å; L209-I211 HydrophobicContact CD1-CD1 4.45Å; L209-I211 PolarHBondContact O-N 3.3Å
210	G	96.1	Very high	96.5	Very high	16 Å²	16	41.5 Å²	41.5	17%	0.165	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	19	179.1	0	0	0	0	0	114.6	Y206 T207 Y212	Y206-G210 PolarHBondContact O-N 2.99Å; T207-G210 PolarHBondContact O-N 2.8Å; T207-G210 VanDerWaalsContact O-N 3.15Å; G210-Y212 PolarHBondContact O-N 3.3Å; G210-Y212 VanDerWaalsContact O-N 3.11Å
211	I	97.3	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.			trans	-81	95.7	178	-56.7	170.3	0	0	0	108.9	W97 V112 K202 Y206 L209 W217 L219	W97-I211 HydrophobicContact CH2-CD1 4.16Å; W97-I211 HydrophobicContact CZ2-CD1 4.48Å; V112-I211 HydrophobicContact CG1-CD1 4.33Å; V112-I211 HydrophobicContact CG2-CD1 4.02Å; K202-I211 WeakPolarHBondContact CE-O 3.42Å; K202-I211 PolarHBondContact NZ-O 2.87Å; Y206-I211 HydrophobicContact CD1-CB 4.4Å; Y206-I211 HydrophobicContact CD1-CD1 3.81Å; Y206-I211 HydrophobicContact CD1-CG2 4.48Å; Y206-I211 HydrophobicContact CD2-CG2 4.28Å; Y206-I211 HydrophobicContact CE1-CD1 4.15Å; Y206-I211 HydrophobicContact CG-CB 4.16Å; Y206-I211 HydrophobicContact CG-CD1 4.43Å; Y206-I211 HydrophobicContact CG-CG2 4.19Å; Y206-I211 WeakPolarHBondContact O-CA 3.49Å; Y206-I211 PolarHBondContact O-N 3Å; L209-I211 VanDerWaalsContact C-N 3.25Å; L209-I211 HydrophobicContact CB-CD1 4.13Å; L209-I211 HydrophobicContact CB-CG1 4.17Å; L209-I211 HydrophobicContact CD1-CD1 4.45Å; L209-I211 PolarHBondContact O-N 3.3Å; I211-W217 HydrophobicContact CG1-CE3 4.24Å; I211-W217 HydrophobicContact CG1-CZ3 4Å; I211-L219 HydrophobicContact CD1-CD1 4.19Å; I211-L219 HydrophobicContact CG2-CB 4.17Å
212	Y	96.1	Very high	96.4	Very high	31 Å²	31	41.9 Å²	41.9	12%	0.122	21%	0.211	C	C	.	.			trans	-118.2	-175.3	175.9	-73.7	-91.9	0	0	0	111.7	Y23 A24 A27 G210 N215	Y23-Y212 VanDerWaalsContact CB-CD1 3.47Å; Y23-Y212 VanDerWaalsContact CB-CG 3.46Å; Y23-Y212 HydrophobicContact CG-CD1 4.17Å; Y23-Y212 HydrophobicContact CG-CG 4.35Å; A24-Y212 HydrophobicContact CB-CD2 3.94Å; A24-Y212 HydrophobicContact CB-CE2 3.76Å; A27-Y212 WeakPolarHBondContact CB-OH 3.35Å; G210-Y212 PolarHBondContact O-N 3.3Å; G210-Y212 VanDerWaalsContact O-N 3.11Å; Y212-N215 PolarHBondContact O-N 2.87Å; Y212-N215 PolarHBondContact O-ND2 3.31Å
213	R	93.1	Very high	96.4	Very high	97 Å²	97	41.5 Å²	41.5	37%	0.366	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	146.5	171.8	73.7	-173.4	-152	-169.5	7.3	109.4	A20 Y23 E165 N215	A20-R213 WeakPolarHBondContact CA-O 3.2Å; A20-R213 WeakPolarHBondContact CB-O 3.31Å; A20-R213 PolarHBondContact N-O 2.75Å; Y23-R213 HydrophobicContact CD2-CG 3.72Å; Y23-R213 HydrophobicContact CE2-CG 3.39Å; Y23-R213 VanDerWaalsContact CZ-CZ 3.41Å; Y23-R213 PolarHBondContact OH-NE 3.44Å; Y23-R213 PolarHBondContact OH-NH1 2.82Å; Y23-R213 PolarHBondContact OH-NH2 3.11Å; E165-R213 IonicContact OE1-NH2 2.68Å; R213-N215 VanDerWaalsContact C-N 3.29Å; R213-N215 PolarHBondContact O-N 2.97Å
214	N	92.8	Very high	96.4	Very high	92 Å²	92	42.1 Å²	42.1	49%	0.492	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	26	-179.6	-52.8	-30.6	0	0	0	115.5	P17 L18	P17-N214 WeakPolarHBondContact CB-ND2 3.31Å; L18-N214 PolarHBondContact O-ND2 3.37Å
215	N	95.7	Very high	96.4	Very high	4 Å²	4	44 Å²	44	2%	0.021	22%	0.22	C	C	.	.			trans	-66.1	156.4	172.5	67.6	82.5	0	0	0	112.2	A20 Y212 R213 W217 K218 L219	A20-N215 HydrophobicContact CB-CB 3.96Å; Y212-N215 PolarHBondContact O-N 2.87Å; Y212-N215 PolarHBondContact O-ND2 3.31Å; R213-N215 VanDerWaalsContact C-N 3.29Å; R213-N215 PolarHBondContact O-N 2.97Å; N215-W217 VanDerWaalsContact C-N 3.26Å; N215-W217 HydrophobicContact CB-CE3 3.86Å; N215-W217 HydrophobicContact CB-CZ3 4.13Å; N215-W217 PolarHBondContact O-N 3.19Å; N215-W217 WeakPolarHBondContact OD1-CA 3.45Å; N215-W217 PolarHBondContact OD1-N 2.66Å; N215-W217 VanDerWaalsContact OD1-N 3.15Å; N215-K218 PolarHBondContact O-N 3.01Å; N215-K218 PolarHBondContact OD1-N 2.96Å; N215-L219 PolarHBondContact ND2-O 2.58Å; N215-L219 PolarHBondContact OD1-N 3.37Å; N215-L219 VanDerWaalsContact OD1-N 3.1Å
216	C	93.9	Very high	96.4	Very high	98 Å²	98	44 Å²	44	66%	0.662	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.4	-176.6	58.7	0	0	0	0	113.7	K218	C216-K218 VanDerWaalsContact C-N 3.34Å
217	W	95	Very high	96.4	Very high	77 Å²	77	49.1 Å²	49.1	29%	0.292	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.1	179.4	-47.8	-74.2	0	0	0	113.9	W97 L101 V107 I211 N215 L219	W97-W217 HydrophobicContact CH2-CZ2 4.32Å; W97-W217 HydrophobicContact CZ2-CD2 4.42Å; W97-W217 AromaticContact CZ2-CE2 3.97Å; W97-W217 HydrophobicContact CZ2-CE3 4.41Å; W97-W217 AromaticContact CZ2-CH2 3.59Å; W97-W217 HydrophobicContact CZ2-CH2 3.59Å; W97-W217 AromaticContact CZ2-CZ2 3.54Å; W97-W217 HydrophobicContact CZ2-CZ2 3.54Å; W97-W217 HydrophobicContact CZ2-CZ3 4.02Å; L101-W217 HydrophobicContact CD1-CZ2 4.38Å; L101-W217 HydrophobicContact CD2-CZ2 3.77Å; V107-W217 HydrophobicContact CB-CB 4.15Å; V107-W217 VanDerWaalsContact CB-CD1 3.45Å; V107-W217 HydrophobicContact CB-CG 3.78Å; V107-W217 HydrophobicContact CG1-CB 3.77Å; V107-W217 HydrophobicContact CG1-CD2 3.94Å; V107-W217 HydrophobicContact CG1-CG 3.48Å; V107-W217 VanDerWaalsContact CG1-CG 3.48Å; V107-W217 HydrophobicContact CG2-CG 4.27Å; I211-W217 HydrophobicContact CG1-CE3 4.24Å; I211-W217 HydrophobicContact CG1-CZ3 4Å; N215-W217 VanDerWaalsContact C-N 3.26Å; N215-W217 HydrophobicContact CB-CE3 3.86Å; N215-W217 HydrophobicContact CB-CZ3 4.13Å; N215-W217 PolarHBondContact O-N 3.19Å; N215-W217 WeakPolarHBondContact OD1-CA 3.45Å; N215-W217 PolarHBondContact OD1-N 2.66Å; N215-W217 VanDerWaalsContact OD1-N 3.15Å; W217-L219 HydrophobicContact CB-CG 4.14Å; W217-L219 PolarHBondContact O-N 3.01Å; W217-L219 VanDerWaalsContact O-N 3.09Å
218	K	94.9	Very high	96.3	Very high	179 Å²	179	50 Å²	50	78%	0.778	24%	0.244	S	C	*	.			trans	56	23.2	-176.7	-50.5	-57.3	-178.7	-174.1	0	113.7	N215 C216	N215-K218 PolarHBondContact O-N 3.01Å; N215-K218 PolarHBondContact OD1-N 2.96Å; C216-K218 VanDerWaalsContact C-N 3.34Å
219	L	96.5	Very high	96.1	Very high	28 Å²	28	48.7 Å²	48.7	15%	0.147	24%	0.243	C	C	.	.			trans	-70.4	137.6	173.7	-72.4	-177.8	0	0	0	110.2	V107 V112 I211 N215 W217	V107-L219 HydrophobicContact CG1-CD1 3.73Å; V107-L219 HydrophobicContact CG1-CG 4.49Å; V112-L219 HydrophobicContact CG2-CD1 4.38Å; I211-L219 HydrophobicContact CD1-CD1 4.19Å; I211-L219 HydrophobicContact CG2-CB 4.17Å; N215-L219 PolarHBondContact ND2-O 2.58Å; N215-L219 PolarHBondContact OD1-N 3.37Å; N215-L219 VanDerWaalsContact OD1-N 3.1Å; W217-L219 HydrophobicContact CB-CG 4.14Å; W217-L219 PolarHBondContact O-N 3.01Å; W217-L219 VanDerWaalsContact O-N 3.09Å
220	C	96.6	Very high	95.6	Very high	58 Å²	58	53.5 Å²	53.5	39%	0.392	27%	0.268	S	S	.	.			trans	-67.3	125.9	168.1	-162.2	0	0	0	0	108.7	Y206 T222 K242	Y206-C220 VanDerWaalsContact CE2-O 3.28Å; Y206-C220 WeakPolarHBondContact CE2-O 3.49Å; C220-T222 PolarHBondContact O-N 3.09Å; C220-T222 VanDerWaalsContact O-N 3.1Å; C220-K242 WeakPolarHBondContact SG-CE 3.22Å; C220-K242 PolarHBondContact SG-NZ 3.37Å
221	P	96.8	Very high	95.1	Very high	30 Å²	30	61.1 Å²	61.1	20%	0.195	30%	0.3	C	S	.	.	S	Bend	trans	-76	5	-176.7	32.5	-37.4	0	0	0	113.2	K202	K202-P221 WeakPolarHBondContact CG-O 3.48Å
222	T	98.3	Very high	94.2	Very high	17 Å²	17	63.2 Å²	63.2	10%	0.104	31%	0.314	C	S	.	.			trans	-137	140.8	177.6	59.6	0	0	0	0	109.8	Y201 K202 C220 K242	Y201-T222 CarbonylContact O-C 3.49Å; Y201-T222 WeakPolarHBondContact O-CA 3.47Å; Y201-T222 VanDerWaalsContact O-CB 3.23Å; Y201-T222 WeakPolarHBondContact O-CB 3.4Å; K202-T222 HydrophobicContact CB-CG2 4.38Å; C220-T222 PolarHBondContact O-N 3.09Å; C220-T222 VanDerWaalsContact O-N 3.1Å; T222-K242 PolarHBondContact OG1-NZ 3Å
223	I	98.4	Very high	93.2	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.015	34%	0.338	C	S	.	.	S	Bend	trans	-110.5	-17.6	-172.3	65.1	162.6	0	0	0	113.6	F109 F177 Y201 P203 Y206 K242 V243	F109-I223 HydrophobicContact CD2-CG2 3.89Å; F109-I223 HydrophobicContact CE2-CB 4.39Å; F109-I223 HydrophobicContact CE2-CD1 4.11Å; F109-I223 HydrophobicContact CE2-CG2 3.74Å; F109-I223 HydrophobicContact CZ-CD1 4.45Å; F177-I223 HydrophobicContact CD2-CD1 3.87Å; Y201-I223 HydrophobicContact CD1-CD1 4.16Å; Y201-I223 HydrophobicContact CD1-CG1 3.78Å; Y201-I223 HydrophobicContact CE1-CD1 4.32Å; Y201-I223 HydrophobicContact CE1-CG1 4.41Å; Y201-I223 PolarHBondContact O-N 3.12Å; P203-I223 HydrophobicContact CG-CD1 3.48Å; P203-I223 VanDerWaalsContact CG-CD1 3.48Å; P203-I223 HydrophobicContact CG-CG1 3.74Å; P203-I223 HydrophobicContact CG-CG2 4.03Å; Y206-I223 HydrophobicContact CE2-CG2 3.8Å; I223-K242 PolarHBondContact O-N 3.06Å; I223-V243 HydrophobicContact CB-CG2 4.1Å; I223-V243 HydrophobicContact CG2-CG2 4.15Å
224	Y	98.8	Very high	92.4	Very high	14 Å²	14	67.9 Å²	67.9	6%	0.055	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.5	166.8	-55.8	-91.1	0	0	0	110.2	V183 Y201 I239 I240 N241	V183-Y224 HydrophobicContact CB-CE2 4.41Å; V183-Y224 HydrophobicContact CG1-CD2 3.72Å; V183-Y224 HydrophobicContact CG1-CE2 3.99Å; V183-Y224 HydrophobicContact CG1-CG 4.06Å; V183-Y224 HydrophobicContact CG2-CD2 4.46Å; V183-Y224 HydrophobicContact CG2-CE2 4.02Å; Y201-Y224 AromaticContact CD1-CD2 3.84Å; Y201-Y224 HydrophobicContact CD1-CD2 3.84Å; Y201-Y224 HydrophobicContact CD1-CE2 4.45Å; Y201-Y224 AromaticContact CG-CD2 3.93Å; Y201-Y224 HydrophobicContact CG-CD2 3.93Å; Y201-Y224 PolarHBondContact N-O 3.34Å; Y224-I239 HydrophobicContact CD1-CG2 4.13Å; Y224-I240 CarbonylContact C-O 3.14Å; Y224-I240 VanDerWaalsContact CA-O 3.25Å; Y224-I240 WeakPolarHBondContact CA-O 3.5Å; Y224-N241 HydrophobicContact CD1-CB 3.78Å; Y224-N241 HydrophobicContact CE1-CB 3.61Å; Y224-N241 VanDerWaalsContact CE1-ND2 3.35Å; Y224-N241 WeakPolarHBondContact CE1-ND2 3.49Å
225	E	98.3	Very high	91.7	Very high	46 Å²	46	71.4 Å²	71.4	22%	0.215	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.1	163.5	61	177.9	-136.9	0	0	109.8	L199 K227 I239 I240 K242	L199-E225 WeakPolarHBondContact O-CA 3.19Å; E225-K227 VanDerWaalsContact OE1-CE 3.27Å; E225-K227 WeakPolarHBondContact OE1-CE 3.41Å; E225-K227 IonicContact OE1-NZ 3.67Å; E225-K227 PolarHBondContact OE1-NZ 2.86Å; E225-I239 CarbonylContact O-C 3.49Å; E225-I239 VanDerWaalsContact O-CA 3.29Å; E225-I239 WeakPolarHBondContact O-CA 3.4Å; E225-I240 HydrophobicContact CG-CB 3.92Å; E225-I240 PolarHBondContact N-O 3.06Å; E225-I240 PolarHBondContact O-N 3.11Å; E225-K242 HydrophobicContact CB-CD 4.18Å; E225-K242 HydrophobicContact CG-CD 4.23Å; E225-K242 HydrophobicContact CG-CG 4.21Å
226	S	98.3	Very high	91.3	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.007	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.2	176.2	173.1	0	0	0	0	109.9	D187 R191 L199 S237 H238	D187-S226 VanDerWaalsContact OD1-CB 3.24Å; D187-S226 WeakPolarHBondContact OD1-CB 3.34Å; D187-S226 PolarHBondContact OD1-OG 3.1Å; R191-S226 PolarHBondContact NH2-O 2.89Å; R191-S226 VanDerWaalsContact NH2-O 3.12Å; R191-S226 PolarHBondContact NH2-OG 3.17Å; L199-S226 PolarHBondContact N-O 3.34Å; L199-S226 PolarHBondContact O-N 3.02Å; S226-S237 PolarHBondContact OG-OG 2.96Å; S226-H238 WeakPolarHBondContact CA-O 3.27Å
227	K	96.6	Very high	91.3	Very high	111 Å²	111	71.8 Å²	71.8	48%	0.483	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.2	176.6	-69.3	175.3	-172.9	147.9	0	109.6	E225 H238	E225-K227 VanDerWaalsContact OE1-CE 3.27Å; E225-K227 WeakPolarHBondContact OE1-CE 3.41Å; E225-K227 IonicContact OE1-NZ 3.67Å; E225-K227 PolarHBondContact OE1-NZ 2.86Å; K227-H238 PolarHBondContact N-O 3.05Å; K227-H238 PolarHBondContact O-N 3.1Å
228	F	94.4	Very high	91.3	Very high	49 Å²	49	70.1 Å²	70.1	22%	0.215	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.4	176	-165.8	-90.8	0	0	0	109.9	R191 K196 L230 R236	R191-F228 HydrophobicContact CG-CD2 4.48Å; K196-F228 HydrophobicContact CB-CB 4.3Å; K196-F228 HydrophobicContact CB-CD1 3.91Å; K196-F228 HydrophobicContact CB-CE1 4.4Å; K196-F228 HydrophobicContact CB-CG 4.02Å; K196-F228 HydrophobicContact CD-CD1 4.07Å; K196-F228 HydrophobicContact CD-CE1 3.78Å; K196-F228 HydrophobicContact CD-CZ 4.31Å; K196-F228 HydrophobicContact CG-CD1 3.74Å; K196-F228 HydrophobicContact CG-CD2 4.33Å; K196-F228 HydrophobicContact CG-CE1 3.71Å; K196-F228 HydrophobicContact CG-CE2 4.29Å; K196-F228 HydrophobicContact CG-CG 4.04Å; K196-F228 HydrophobicContact CG-CZ 3.99Å; K196-F228 WeakPolarHBondContact O-CB 3.26Å; F228-L230 HydrophobicContact CD1-CD2 4.34Å; F228-L230 HydrophobicContact CD1-CG 4.41Å; F228-L230 HydrophobicContact CE1-CD2 3.84Å; F228-L230 HydrophobicContact CE1-CG 4.32Å; F228-R236 CarbonylContact C-O 3.53Å; F228-R236 VanDerWaalsContact CA-O 3.27Å; F228-R236 WeakPolarHBondContact CA-O 3.48Å; F228-R236 HydrophobicContact CD2-CB 4.28Å; F228-R236 WeakPolarHBondContact CD2-O 3.32Å; F228-R236 HydrophobicContact CE1-CB 4.22Å; F228-R236 HydrophobicContact CE2-CB 3.68Å; F228-R236 HydrophobicContact CZ-CB 3.66Å; F228-R236 HydrophobicContact CZ-CG 4.3Å
229	D	92.3	Very high	91.4	Very high	60 Å²	60	61.6 Å²	61.6	32%	0.321	31%	0.313	S	S	.	.			trans	-108.6	121.7	177.4	-169.8	-30.8	0	0	0	109.8	E231 C232 R236 H238	D229-E231 VanDerWaalsContact C-N 3.32Å; D229-E231 WeakPolarHBondContact OD1-CA 3.35Å; D229-E231 PolarHBondContact OD1-N 3.36Å; D229-C232 HydrophobicContact CB-CB 3.82Å; D229-C232 PolarHBondContact OD1-N 2.89Å; D229-C232 VanDerWaalsContact OD1-N 3.1Å; D229-R236 PolarHBondContact N-O 2.96Å; D229-R236 VanDerWaalsContact O-CB 3.3Å; D229-R236 WeakPolarHBondContact O-CB 3.29Å; D229-R236 WeakPolarHBondContact O-CG 3.38Å; D229-H238 IonicContact OD2-NE2 3.17Å
230	L	86.8	Confident	91.5	Very high	112 Å²	112	62.9 Å²	62.9	59%	0.586	32%	0.319	S	S	*	.	S	Bend	trans	-77.8	-17.7	-179.7	-75.7	166.3	0	0	0	113.1	K196 F228 R236	K196-L230 HydrophobicContact CD-CD2 4.35Å; F228-L230 HydrophobicContact CD1-CD2 4.34Å; F228-L230 HydrophobicContact CD1-CG 4.41Å; F228-L230 HydrophobicContact CE1-CD2 3.84Å; F228-L230 HydrophobicContact CE1-CG 4.32Å; L230-R236 VanDerWaalsContact C-NH1 3.29Å; L230-R236 PolarHBondContact O-NH1 3.11Å
231	E	86.9	Confident	91.6	Very high	177 Å²	177	60.8 Å²	60.8	83%	0.827	30%	0.304	S	S	*	.	S	Bend	trans	-103.5	-25	-174.1	-59.1	-174.7	172.2	0	0	111.6	D229 V233	D229-E231 VanDerWaalsContact C-N 3.32Å; D229-E231 WeakPolarHBondContact OD1-CA 3.35Å; D229-E231 PolarHBondContact OD1-N 3.36Å; E231-V233 PolarHBondContact O-N 3.15Å
232	C	78	Confident	91.6	Very high	44 Å²	44	62.4 Å²	62.4	30%	0.297	31%	0.308	S	S	.	.			trans	-77.9	110.1	179.6	-162.2	0	0	0	0	112.7	D229 R235 R236	D229-C232 HydrophobicContact CB-CB 3.82Å; D229-C232 PolarHBondContact OD1-N 2.89Å; D229-C232 VanDerWaalsContact OD1-N 3.1Å; C232-R235 WeakPolarHBondContact CB-O 3.41Å; C232-R235 CarbonylContact O-C 3.43Å; C232-R235 PolarHBondContact SG-O 2.7Å; C232-R236 WeakPolarHBondContact O-CG 3.43Å
233	V	74.9	Confident	91.5	Very high	102 Å²	102	64.4 Å²	64.4	62%	0.618	32%	0.32	S	S	*	.	S	Bend	trans	-122.1	134.7	177.8	-177.5	0	0	0	0	108.5	E231	E231-V233 PolarHBondContact O-N 3.15Å
234	P	76.8	Confident	91.4	Very high	124 Å²	124	67.8 Å²	67.8	81%	0.805	34%	0.341	S	S	*	.	S	Bend	cis	-87.3	-18.2	10.7	34	-35.5	0	0	0	115.4
235	R	77.7	Confident	91.2	Very high	165 Å²	165	73.3 Å²	73.3	62%	0.623	37%	0.372	S	S	*	.			trans	-94.8	106.5	-177.2	-72.1	-174.1	178.8	158.6	0	110.6	C232 T249	C232-R235 WeakPolarHBondContact CB-O 3.41Å; C232-R235 CarbonylContact O-C 3.43Å; C232-R235 PolarHBondContact SG-O 2.7Å; R235-T249 WeakPolarHBondContact CD-OXT 3.46Å; R235-T249 VanDerWaalsContact CZ-OXT 3.3Å; R235-T249 PolarHBondContact NH1-OXT 3.18Å
236	R	87.9	Confident	91.1	Very high	95 Å²	95	76.3 Å²	76.3	36%	0.358	39%	0.388	S	S	.	.			trans	-91.6	-1.4	-179.8	-66.9	173.5	177.4	-84.7	-0.2	113.6	F228 D229 L230 C232	F228-R236 CarbonylContact C-O 3.53Å; F228-R236 VanDerWaalsContact CA-O 3.27Å; F228-R236 WeakPolarHBondContact CA-O 3.48Å; F228-R236 HydrophobicContact CD2-CB 4.28Å; F228-R236 WeakPolarHBondContact CD2-O 3.32Å; F228-R236 HydrophobicContact CE1-CB 4.22Å; F228-R236 HydrophobicContact CE2-CB 3.68Å; F228-R236 HydrophobicContact CZ-CB 3.66Å; F228-R236 HydrophobicContact CZ-CG 4.3Å; D229-R236 PolarHBondContact N-O 2.96Å; D229-R236 VanDerWaalsContact O-CB 3.3Å; D229-R236 WeakPolarHBondContact O-CB 3.29Å; D229-R236 WeakPolarHBondContact O-CG 3.38Å; L230-R236 VanDerWaalsContact C-NH1 3.29Å; L230-R236 PolarHBondContact O-NH1 3.11Å; C232-R236 WeakPolarHBondContact O-CG 3.43Å
237	S	92.8	Very high	90.9	Very high	15 Å²	15	81.5 Å²	81.5	11%	0.105	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.5	-178.3	-157.5	0	0	0	0	108.4	D187 R191 S226 T249	D187-S237 VanDerWaalsContact CG-OG 3.3Å; D187-S237 PolarHBondContact OD1-OG 3.26Å; D187-S237 WeakPolarHBondContact OD2-CB 3.17Å; D187-S237 PolarHBondContact OD2-OG 2.78Å; R191-S237 PolarHBondContact NE-OG 2.74Å; S226-S237 PolarHBondContact OG-OG 2.96Å; S237-T249 PolarHBondContact O-OG1 3.49Å
238	H	95.4	Very high	90.8	Very high	43 Å²	43	77.6 Å²	77.6	20%	0.199	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	109.5	179.1	-65.8	-78.9	0	0	0	108.8	S226 K227 D229 E247	S226-H238 WeakPolarHBondContact CA-O 3.27Å; K227-H238 PolarHBondContact N-O 3.05Å; K227-H238 PolarHBondContact O-N 3.1Å; D229-H238 IonicContact OD2-NE2 3.17Å; H238-E247 IonicContact CE1-OE1 2.71Å; H238-E247 IonicContact CG-OE1 3.17Å; H238-E247 IonicContact ND1-OE1 3.25Å; H238-E247 PolarHBondContact ND1-OE1 3.27Å
239	I	97.6	Very high	90.3	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.7	-177.9	-54	174.8	0	0	0	108.9	W126 V184 D187 Y224 E225 E247 V248 T249	W126-I239 HydrophobicContact CH2-CG2 4.11Å; W126-I239 HydrophobicContact CZ2-CD1 4.5Å; W126-I239 HydrophobicContact CZ2-CG2 4.16Å; V184-I239 HydrophobicContact CB-CD1 4.28Å; V184-I239 HydrophobicContact CG1-CD1 4.25Å; V184-I239 HydrophobicContact CG2-CD1 4.05Å; D187-I239 HydrophobicContact CB-CD1 3.59Å; Y224-I239 HydrophobicContact CD1-CG2 4.13Å; E225-I239 CarbonylContact O-C 3.49Å; E225-I239 VanDerWaalsContact O-CA 3.29Å; E225-I239 WeakPolarHBondContact O-CA 3.4Å; I239-E247 WeakPolarHBondContact O-CA 3.42Å; I239-V248 HydrophobicContact CB-CG2 3.6Å; I239-V248 HydrophobicContact CG2-CG2 3.45Å; I239-V248 VanDerWaalsContact CG2-CG2 3.45Å; I239-V248 PolarHBondContact O-N 3.45Å; I239-T249 HydrophobicContact CB-CG2 3.87Å; I239-T249 HydrophobicContact CD1-CG2 3.54Å; I239-T249 HydrophobicContact CG1-CG2 3.6Å; I239-T249 PolarHBondContact N-OG1 3.37Å
240	I	98.1	Very high	90.2	Very high	55 Å²	55	78.4 Å²	78.4	28%	0.282	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.4	175.9	-61.1	170.8	0	0	0	108.6	Y224 E225 K242	Y224-I240 CarbonylContact C-O 3.14Å; Y224-I240 VanDerWaalsContact CA-O 3.25Å; Y224-I240 WeakPolarHBondContact CA-O 3.5Å; E225-I240 HydrophobicContact CG-CB 3.92Å; E225-I240 PolarHBondContact N-O 3.06Å; E225-I240 PolarHBondContact O-N 3.11Å; I240-K242 PolarHBondContact O-N 3.36Å
241	N	97.9	Very high	90.3	Very high	14 Å²	14	76.6 Å²	76.6	8%	0.075	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	112	165.9	-175.5	-35.8	0	0	0	109	Y224 V243 T244 N245 L246 V248	Y224-N241 HydrophobicContact CD1-CB 3.78Å; Y224-N241 HydrophobicContact CE1-CB 3.61Å; Y224-N241 VanDerWaalsContact CE1-ND2 3.35Å; Y224-N241 WeakPolarHBondContact CE1-ND2 3.49Å; N241-V243 PolarHBondContact O-N 3.28Å; N241-V243 WeakPolarHBondContact OD1-CB 3.37Å; N241-V243 PolarHBondContact OD1-N 3.39Å; N241-T244 WeakPolarHBondContact CB-OG1 3.47Å; N241-T244 VanDerWaalsContact CG-OG1 3.28Å; N241-T244 PolarHBondContact O-N 3.08Å; N241-T244 PolarHBondContact OD1-N 2.97Å; N241-N245 WeakPolarHBondContact O-CA 3.23Å; N241-N245 PolarHBondContact O-N 3.16Å; N241-L246 PolarHBondContact N-O 3.36Å; N241-L246 PolarHBondContact O-N 2.7Å; N241-V248 HydrophobicContact CB-CG1 4.06Å
242	K	97.3	Very high	90.5	Very high	63 Å²	63	71 Å²	71	27%	0.274	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.4	-174.3	-62	176.9	61.8	173.1	0	113.5	C220 T222 I223 E225 I240	C220-K242 WeakPolarHBondContact SG-CE 3.22Å; C220-K242 PolarHBondContact SG-NZ 3.37Å; T222-K242 PolarHBondContact OG1-NZ 3Å; I223-K242 PolarHBondContact O-N 3.06Å; E225-K242 HydrophobicContact CB-CD 4.18Å; E225-K242 HydrophobicContact CG-CD 4.23Å; E225-K242 HydrophobicContact CG-CG 4.21Å; I240-K242 PolarHBondContact O-N 3.36Å
243	V	95.8	Very high	91.3	Very high	60 Å²	60	72.6 Å²	72.6	36%	0.364	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-43	175.4	-178.4	0	0	0	0	110	F109 I223 N241	F109-V243 HydrophobicContact CB-CG1 4.33Å; F109-V243 HydrophobicContact CB-CG2 4.36Å; F109-V243 HydrophobicContact CD1-CB 4.17Å; F109-V243 HydrophobicContact CD1-CG1 3.38Å; F109-V243 HydrophobicContact CD1-CG2 3.79Å; F109-V243 HydrophobicContact CD2-CG2 3.92Å; F109-V243 HydrophobicContact CE1-CB 4.32Å; F109-V243 HydrophobicContact CE1-CG1 3.83Å; F109-V243 HydrophobicContact CE1-CG2 3.95Å; F109-V243 HydrophobicContact CE2-CG2 4.1Å; F109-V243 HydrophobicContact CG-CG1 3.96Å; F109-V243 HydrophobicContact CG-CG2 3.73Å; F109-V243 HydrophobicContact CZ-CG2 4.09Å; I223-V243 HydrophobicContact CB-CG2 4.1Å; I223-V243 HydrophobicContact CG2-CG2 4.15Å; N241-V243 PolarHBondContact O-N 3.28Å; N241-V243 WeakPolarHBondContact OD1-CB 3.37Å; N241-V243 PolarHBondContact OD1-N 3.39Å
244	T	96.1	Very high	92.3	Very high	74 Å²	74	70.8 Å²	70.8	45%	0.454	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-14.5	-177	60.7	0	0	0	0	113.6	N241 L246	N241-T244 WeakPolarHBondContact CB-OG1 3.47Å; N241-T244 VanDerWaalsContact CG-OG1 3.28Å; N241-T244 PolarHBondContact O-N 3.08Å; N241-T244 PolarHBondContact OD1-N 2.97Å; T244-L246 PolarHBondContact O-N 3.06Å; T244-L246 PolarHBondContact OG1-N 3.2Å
245	N	95.6	Very high	93.3	Very high	130 Å²	130	67.2 Å²	67.2	70%	0.695	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	30.1	-169.6	-59.2	-58.8	0	0	0	113.8	N241	N241-N245 WeakPolarHBondContact O-CA 3.23Å; N241-N245 PolarHBondContact O-N 3.16Å
246	L	96.3	Very high	94.4	Very high	108 Å²	108	60.2 Å²	60.2	57%	0.565	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	143.7	177.6	-60.8	177.2	0	0	0	111	N241 T244	N241-L246 PolarHBondContact N-O 3.36Å; N241-L246 PolarHBondContact O-N 2.7Å; T244-L246 PolarHBondContact O-N 3.06Å; T244-L246 PolarHBondContact OG1-N 3.2Å
247	E	94.4	Very high	94.9	Very high	110 Å²	110	57.5 Å²	57.5	51%	0.514	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.8	167	-172.9	169.8	-171.3	0	0	109.7	H238 I239	H238-E247 IonicContact CE1-OE1 2.71Å; H238-E247 IonicContact CG-OE1 3.17Å; H238-E247 IonicContact ND1-OE1 3.25Å; H238-E247 PolarHBondContact ND1-OE1 3.27Å; I239-E247 WeakPolarHBondContact O-CA 3.42Å
248	V	92.8	Very high	95.1	Very high	29 Å²	29	61.1 Å²	61.1	18%	0.176	32%	0.324	C	S	.	.			trans	-117.3	10.4	-173.5	-55.3	0	0	0	0	112.9	E180 V184 I239 N241	E180-V248 HydrophobicContact CG-CB 4.2Å; E180-V248 HydrophobicContact CG-CG1 4.34Å; E180-V248 HydrophobicContact CG-CG2 4.44Å; E180-V248 VanDerWaalsContact OE2-CG1 3.24Å; E180-V248 WeakPolarHBondContact OE2-CG1 3.41Å; V184-V248 HydrophobicContact CG2-CG2 3.86Å; I239-V248 HydrophobicContact CB-CG2 3.6Å; I239-V248 HydrophobicContact CG2-CG2 3.45Å; I239-V248 VanDerWaalsContact CG2-CG2 3.45Å; I239-V248 PolarHBondContact O-N 3.45Å; N241-V248 HydrophobicContact CB-CG1 4.06Å
249	T	84.2	Confident	95.1	Very high	47 Å²	47	62.7 Å²	62.7	29%	0.288	34%	0.335	S	S	.	.			trans	-122.5	0	-179.8	41.8	0	0	0	0	113.2	V184 R235 S237 I239	V184-T249 HydrophobicContact CG1-CG2 4.14Å; R235-T249 WeakPolarHBondContact CD-OXT 3.46Å; R235-T249 VanDerWaalsContact CZ-OXT 3.3Å; R235-T249 PolarHBondContact NH1-OXT 3.18Å; S237-T249 PolarHBondContact O-OG1 3.49Å; I239-T249 HydrophobicContact CB-CG2 3.87Å; I239-T249 HydrophobicContact CD1-CG2 3.54Å; I239-T249 HydrophobicContact CG1-CG2 3.6Å; I239-T249 PolarHBondContact N-OG1 3.37Å

Retrieved 249 of 249 residues in 596.5 ms (Link to these results)

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