G4V9R4_SCHMA Loading...

C1orf50 homolog

AlphaFold DB , UniProt , Accession G4V9R4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 162 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	50.1	Low	236 Å²	236	126 Å²	126	100%	1.163	68%	0.675	S	S	*	*				0	118.3	0	-88.5	74.1	162.1	0	0	109.2	R3	M1-R3 PolarHBondContact O-N 3.34Å
2	N	39.2	Very low	50.8	Low	155 Å²	155	120.7 Å²	120.7	83%	0.829	65%	0.654	S	S	*	*			trans	-60.3	119.5	166.5	-77.8	-22.1	0	0	0	109.7
3	R	43	Very low	51.7	Low	239 Å²	239	120.2 Å²	120.2	90%	0.902	65%	0.649	S	S	*	*			trans	-128.3	92.7	142.8	-73.6	-169.3	-178.5	-177	1.2	105.7	M1 D5	M1-R3 PolarHBondContact O-N 3.34Å; R3-D5 VanDerWaalsContact C-N 3.26Å; R3-D5 PolarHBondContact O-N 2.79Å
4	T	53.2	Low	52.5	Low	123 Å²	123	123.5 Å²	123.5	76%	0.755	65%	0.648	S	S	*	*			trans	-54.8	98.9	158.8	47.8	0	0	0	0	106.2	N6	T4-N6 PolarHBondContact O-N 2.95Å
5	D	48.9	Very low	53.5	Low	131 Å²	131	120.5 Å²	120.5	70%	0.701	63%	0.632	S	S	*	*			trans	-67.8	75.4	164.6	-172	8.2	0	0	0	106.9	R3 S7	R3-D5 VanDerWaalsContact C-N 3.26Å; R3-D5 PolarHBondContact O-N 2.79Å; D5-S7 PolarHBondContact O-N 2.64Å; D5-S7 WeakPolarHBondContact OD1-CB 3.13Å; D5-S7 PolarHBondContact OD1-N 3.31Å; D5-S7 PolarHBondContact OD1-OG 2.93Å
6	N	53.3	Low	54.4	Low	127 Å²	127	118.8 Å²	118.8	68%	0.679	62%	0.624	S	S	*	*			trans	-75.5	62.1	163.8	-169.6	31.3	0	0	0	106.5	T4 P8	T4-N6 PolarHBondContact O-N 2.95Å; N6-P8 WeakPolarHBondContact O-CD 3.5Å
7	S	50.4	Low	55.1	Low	41 Å²	41	114.6 Å²	114.6	29%	0.287	61%	0.611	S	S	.	*			trans	-65.2	122.2	176.9	-106.1	0	0	0	0	107.5	D5 S9 S10	D5-S7 PolarHBondContact O-N 2.64Å; D5-S7 WeakPolarHBondContact OD1-CB 3.13Å; D5-S7 PolarHBondContact OD1-N 3.31Å; D5-S7 PolarHBondContact OD1-OG 2.93Å; S7-S9 PolarHBondContact O-N 2.99Å; S7-S10 PolarHBondContact O-N 3.17Å; S7-S10 PolarHBondContact O-OG 3.24Å
8	P	56.8	Low	55.7	Low	106 Å²	106	117.1 Å²	117.1	69%	0.688	61%	0.61	S	S	*	*	H	α-helix	trans	-59.2	-19.5	-174.5	20.8	-31.5	0	0	0	113.1	N6 S10 L11 C12	N6-P8 WeakPolarHBondContact O-CD 3.5Å; P8-S10 VanDerWaalsContact C-N 3.3Å; P8-S10 PolarHBondContact O-N 3Å; P8-L11 PolarHBondContact O-N 3.19Å; P8-C12 PolarHBondContact O-N 3.44Å
9	S	56.1	Low	56.1	Low	72 Å²	72	118.3 Å²	118.3	50%	0.503	61%	0.61	S	S	.	*	H	α-helix	trans	-60.3	-30.5	172.4	36.4	0	0	0	0	114.2	S7 L11 C12 I13	S7-S9 PolarHBondContact O-N 2.99Å; S9-L11 VanDerWaalsContact C-N 3.35Å; S9-C12 PolarHBondContact O-SG 3.07Å; S9-I13 WeakPolarHBondContact O-CG1 3.37Å; S9-I13 PolarHBondContact O-N 2.97Å
10	S	56.3	Low	56.4	Low	61 Å²	61	117.6 Å²	117.6	43%	0.427	61%	0.607	S	S	.	*	H	α-helix	trans	-75.2	-26	177.5	73.9	0	0	0	0	113.4	S7 P8 R14	S7-S10 PolarHBondContact O-N 3.17Å; S7-S10 PolarHBondContact O-OG 3.24Å; P8-S10 VanDerWaalsContact C-N 3.3Å; P8-S10 PolarHBondContact O-N 3Å; S10-R14 PolarHBondContact O-N 3.35Å
11	L	54.1	Low	56.9	Low	95 Å²	95	119.2 Å²	119.2	50%	0.497	61%	0.614	S	S	.	*	H	α-helix	trans	-77.2	-43.1	-179.2	-153	78.1	0	0	0	110.5	P8 S9 I13 R14 D15	P8-L11 PolarHBondContact O-N 3.19Å; S9-L11 VanDerWaalsContact C-N 3.35Å; L11-I13 PolarHBondContact O-N 3.37Å; L11-R14 PolarHBondContact O-N 3.01Å; L11-R14 VanDerWaalsContact O-N 3.14Å; L11-D15 PolarHBondContact O-N 3.14Å
12	C	57.9	Low	58.6	Low	62 Å²	62	111.1 Å²	111.1	42%	0.419	58%	0.575	S	S	.	*	H	α-helix	trans	-63.5	-40.3	177.4	69.1	0	0	0	0	111.9	P8 S9 R14 D15 D16	P8-C12 PolarHBondContact O-N 3.44Å; S9-C12 PolarHBondContact O-SG 3.07Å; C12-R14 PolarHBondContact O-N 3.46Å; C12-D15 PolarHBondContact O-N 3.45Å; C12-D15 VanDerWaalsContact O-N 3.16Å; C12-D16 WeakPolarHBondContact O-CB 3.28Å; C12-D16 PolarHBondContact O-N 2.89Å
13	I	62.4	Low	60.4	Low	115 Å²	115	107.8 Å²	107.8	59%	0.59	56%	0.562	S	S	*	*	H	α-helix	trans	-56.8	-40.8	175.2	-57.7	-113.8	0	0	0	110.9	S9 L11 A17	S9-I13 WeakPolarHBondContact O-CG1 3.37Å; S9-I13 PolarHBondContact O-N 2.97Å; L11-I13 PolarHBondContact O-N 3.37Å; I13-A17 VanDerWaalsContact O-CB 3.29Å; I13-A17 WeakPolarHBondContact O-CB 3.08Å; I13-A17 PolarHBondContact O-N 3.27Å
14	R	63.3	Low	62.4	Low	166 Å²	166	101.9 Å²	101.9	63%	0.626	55%	0.548	S	S	*	.	H	α-helix	trans	-71.1	-39.5	179.6	-77.8	-176.6	174.7	-176.5	-0.1	112.5	S10 L11 C12 A17 R18	S10-R14 PolarHBondContact O-N 3.35Å; L11-R14 PolarHBondContact O-N 3.01Å; L11-R14 VanDerWaalsContact O-N 3.14Å; C12-R14 PolarHBondContact O-N 3.46Å; R14-A17 PolarHBondContact O-N 3.49Å; R14-R18 WeakPolarHBondContact O-CB 3.29Å; R14-R18 VanDerWaalsContact O-CG 3.28Å; R14-R18 WeakPolarHBondContact O-CG 3.44Å; R14-R18 PolarHBondContact O-N 3.46Å
15	D	67.5	Low	63.9	Low	78 Å²	78	98.1 Å²	98.1	42%	0.417	52%	0.523	S	S	.	.	H	α-helix	trans	-71.3	-36.4	178.4	-69.6	-28.5	0	0	0	111.4	L11 C12 R18 K19	L11-D15 PolarHBondContact O-N 3.14Å; C12-D15 PolarHBondContact O-N 3.45Å; C12-D15 VanDerWaalsContact O-N 3.16Å; D15-R18 PolarHBondContact O-N 2.83Å; D15-R18 IonicContact OD1-NH1 3.69Å; D15-R18 PolarHBondContact OD1-NH1 3.24Å; D15-K19 WeakPolarHBondContact O-CB 3.35Å; D15-K19 PolarHBondContact O-N 3.16Å
16	D	67.9	Low	65.5	Low	94 Å²	94	96.2 Å²	96.2	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-45.3	171.3	-64.3	-24.7	0	0	0	111	C12 R18 K19 L20	C12-D16 WeakPolarHBondContact O-CB 3.28Å; C12-D16 PolarHBondContact O-N 2.89Å; D16-R18 PolarHBondContact O-N 2.86Å; D16-K19 PolarHBondContact O-N 3.35Å; D16-L20 WeakPolarHBondContact O-CG 3.31Å; D16-L20 PolarHBondContact O-N 2.91Å
17	A	66	Low	67.3	Low	48 Å²	48	95 Å²	95	40%	0.397	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-39.7	175.7	0	0	0	0	0	112.5	I13 R14 L20 M21	I13-A17 VanDerWaalsContact O-CB 3.29Å; I13-A17 WeakPolarHBondContact O-CB 3.08Å; I13-A17 PolarHBondContact O-N 3.27Å; R14-A17 PolarHBondContact O-N 3.49Å; A17-L20 PolarHBondContact O-N 2.98Å; A17-M21 PolarHBondContact O-N 3.39Å
18	R	65.5	Low	69.1	Low	158 Å²	158	99.4 Å²	99.4	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-65.9	-39.1	174.4	-77.2	172.9	-178.1	156	-6	111.9	R14 D15 D16 L20 M21 D22	R14-R18 WeakPolarHBondContact O-CB 3.29Å; R14-R18 VanDerWaalsContact O-CG 3.28Å; R14-R18 WeakPolarHBondContact O-CG 3.44Å; R14-R18 PolarHBondContact O-N 3.46Å; D15-R18 PolarHBondContact O-N 2.83Å; D15-R18 IonicContact OD1-NH1 3.69Å; D15-R18 PolarHBondContact OD1-NH1 3.24Å; D16-R18 PolarHBondContact O-N 2.86Å; R18-L20 VanDerWaalsContact C-N 3.34Å; R18-M21 WeakPolarHBondContact O-CB 3.4Å; R18-M21 PolarHBondContact O-N 3.14Å; R18-M21 VanDerWaalsContact O-N 3.08Å; R18-D22 PolarHBondContact O-N 3.08Å; R18-D22 VanDerWaalsContact O-N 3.14Å
19	K	63.7	Low	70.7	Confident	140 Å²	140	98.5 Å²	98.5	61%	0.609	52%	0.515	S	S	*	.	H	α-helix	trans	-64.4	-41.1	175.8	-160.4	174.1	-176.5	-175.1	0	110.6	D15 D16 M21 D22 N25	D15-K19 WeakPolarHBondContact O-CB 3.35Å; D15-K19 PolarHBondContact O-N 3.16Å; D16-K19 PolarHBondContact O-N 3.35Å; K19-M21 VanDerWaalsContact C-N 3.26Å; K19-M21 PolarHBondContact O-N 2.75Å; K19-D22 PolarHBondContact O-N 3.07Å; K19-N25 WeakPolarHBondContact CG-ND2 3.37Å; K19-N25 VanDerWaalsContact O-CB 3.31Å; K19-N25 WeakPolarHBondContact O-CB 3.33Å; K19-N25 PolarHBondContact O-ND2 2.95Å
20	L	63.1	Low	72.3	Confident	105 Å²	105	97.9 Å²	97.9	55%	0.55	51%	0.513	S	S	.	.	H	α-helix	trans	-65.5	-24.3	171	-72.1	163.7	0	0	0	113.6	D16 A17 R18 L26	D16-L20 WeakPolarHBondContact O-CG 3.31Å; D16-L20 PolarHBondContact O-N 2.91Å; A17-L20 PolarHBondContact O-N 2.98Å; R18-L20 VanDerWaalsContact C-N 3.34Å; L20-L26 WeakPolarHBondContact O-CD2 3.5Å; L20-L26 WeakPolarHBondContact O-CG 3.37Å
21	M	65.3	Low	74	Confident	152 Å²	152	100.7 Å²	100.7	75%	0.749	52%	0.52	S	S	*	.	H	α-helix	trans	-85.1	-12	176.1	-92.4	-180	69.6	0	0	114.2	A17 R18 K19 P23	A17-M21 PolarHBondContact O-N 3.39Å; R18-M21 WeakPolarHBondContact O-CB 3.4Å; R18-M21 PolarHBondContact O-N 3.14Å; R18-M21 VanDerWaalsContact O-N 3.08Å; K19-M21 VanDerWaalsContact C-N 3.26Å; K19-M21 PolarHBondContact O-N 2.75Å; M21-P23 WeakPolarHBondContact O-CD 3.2Å
22	D	77.7	Confident	75.9	Confident	65 Å²	65	104.1 Å²	104.1	35%	0.348	53%	0.527	S	S	.	.	S	Bend	trans	-65.9	117.6	172.2	-177	-8.5	0	0	0	108	R18 K19 N24 N25 L26	R18-D22 PolarHBondContact O-N 3.08Å; R18-D22 VanDerWaalsContact O-N 3.14Å; K19-D22 PolarHBondContact O-N 3.07Å; D22-N24 PolarHBondContact O-N 3.38Å; D22-N24 WeakPolarHBondContact OD1-CB 3.49Å; D22-N24 PolarHBondContact OD1-N 3.28Å; D22-N25 HydrophobicContact CB-CB 4.44Å; D22-N25 PolarHBondContact O-N 3.38Å; D22-L26 PolarHBondContact O-N 3.17Å; D22-L26 VanDerWaalsContact O-N 3.17Å
23	P	77.1	Confident	77.7	Confident	85 Å²	85	104.4 Å²	104.4	55%	0.552	53%	0.527	S	S	*	.	H	α-helix	trans	-53.9	-29.2	-179.5	21.8	-34.1	0	0	0	112.5	M21 L26 V27	M21-P23 WeakPolarHBondContact O-CD 3.2Å; P23-L26 PolarHBondContact O-N 3.04Å; P23-V27 VanDerWaalsContact O-CG2 3.24Å; P23-V27 WeakPolarHBondContact O-CG2 3.17Å; P23-V27 PolarHBondContact O-N 2.94Å
24	N	83.9	Confident	79.1	Confident	115 Å²	115	105.2 Å²	105.2	62%	0.615	53%	0.528	S	S	*	.	H	α-helix	trans	-64.8	-42.1	176.3	-66.7	-25.2	0	0	0	112	D22 V27 E28	D22-N24 PolarHBondContact O-N 3.38Å; D22-N24 WeakPolarHBondContact OD1-CB 3.49Å; D22-N24 PolarHBondContact OD1-N 3.28Å; N24-V27 PolarHBondContact O-N 3.31Å; N24-E28 WeakPolarHBondContact O-CB 3.33Å; N24-E28 PolarHBondContact O-N 2.94Å
25	N	84.5	Confident	80.6	Confident	44 Å²	44	99.3 Å²	99.3	24%	0.235	51%	0.512	C	S	.	.	H	α-helix	trans	-69.8	-34.9	177.4	-70.2	-46.1	0	0	0	111.5	K19 D22 E28 L29	K19-N25 WeakPolarHBondContact CG-ND2 3.37Å; K19-N25 VanDerWaalsContact O-CB 3.31Å; K19-N25 WeakPolarHBondContact O-CB 3.33Å; K19-N25 PolarHBondContact O-ND2 2.95Å; D22-N25 HydrophobicContact CB-CB 4.44Å; D22-N25 PolarHBondContact O-N 3.38Å; N25-E28 PolarHBondContact O-N 3.28Å; N25-L29 WeakPolarHBondContact O-CB 3.43Å; N25-L29 PolarHBondContact O-N 2.93Å
26	L	83.7	Confident	81.9	Confident	92 Å²	92	97.1 Å²	97.1	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-64.8	-40.9	174.1	-70.8	175.4	0	0	0	111.9	L20 D22 P23 A30	L20-L26 WeakPolarHBondContact O-CD2 3.5Å; L20-L26 WeakPolarHBondContact O-CG 3.37Å; D22-L26 PolarHBondContact O-N 3.17Å; D22-L26 VanDerWaalsContact O-N 3.17Å; P23-L26 PolarHBondContact O-N 3.04Å; L26-A30 WeakPolarHBondContact O-CB 3.5Å; L26-A30 PolarHBondContact O-N 3.48Å
27	V	89.6	Confident	83.2	Confident	100 Å²	100	97.6 Å²	97.6	61%	0.606	51%	0.508	S	S	*	.	H	α-helix	trans	-66.2	-44.1	175.8	171.7	0	0	0	0	111.1	P23 N24 A30 H31	P23-V27 VanDerWaalsContact O-CG2 3.24Å; P23-V27 WeakPolarHBondContact O-CG2 3.17Å; P23-V27 PolarHBondContact O-N 2.94Å; N24-V27 PolarHBondContact O-N 3.31Å; V27-A30 PolarHBondContact O-N 3.38Å; V27-H31 PolarHBondContact O-N 3.31Å
28	E	89	Confident	84.5	Confident	135 Å²	135	99 Å²	99	63%	0.631	52%	0.515	S	S	*	.	H	α-helix	trans	-61.3	-44.5	176.4	-174	177.4	-176.3	0	0	111.9	N24 N25 A30 H31 Y32	N24-E28 WeakPolarHBondContact O-CB 3.33Å; N24-E28 PolarHBondContact O-N 2.94Å; N25-E28 PolarHBondContact O-N 3.28Å; E28-A30 PolarHBondContact O-N 3.05Å; E28-H31 PolarHBondContact O-N 2.91Å; E28-Y32 PolarHBondContact O-N 3.18Å
29	L	89.6	Confident	86	Confident	87 Å²	87	98.6 Å²	98.6	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-61.4	-43.3	175.7	179.5	61.8	0	0	0	111.8	N25 H31 Y32 V33	N25-L29 WeakPolarHBondContact O-CB 3.43Å; N25-L29 PolarHBondContact O-N 2.93Å; L29-H31 VanDerWaalsContact C-N 3.33Å; L29-H31 PolarHBondContact O-N 3.47Å; L29-Y32 PolarHBondContact O-N 2.99Å; L29-V33 HydrophobicContact CD1-CG2 4.33Å; L29-V33 WeakPolarHBondContact O-CG2 3.24Å; L29-V33 PolarHBondContact O-N 2.98Å
30	A	91.1	Very high	87.5	Confident	58 Å²	58	96.7 Å²	96.7	48%	0.479	52%	0.517	S	S	.	.	H	α-helix	trans	-60.4	-44.3	176.3	0	0	0	0	0	111.4	L26 V27 E28 Y32 V33 E34	L26-A30 WeakPolarHBondContact O-CB 3.5Å; L26-A30 PolarHBondContact O-N 3.48Å; V27-A30 PolarHBondContact O-N 3.38Å; E28-A30 PolarHBondContact O-N 3.05Å; A30-Y32 VanDerWaalsContact C-N 3.33Å; A30-Y32 PolarHBondContact O-N 3.43Å; A30-V33 PolarHBondContact O-N 3.16Å; A30-E34 WeakPolarHBondContact O-CB 3.35Å; A30-E34 PolarHBondContact O-N 2.86Å
31	H	92.1	Very high	89	Confident	121 Å²	121	95 Å²	95	56%	0.56	51%	0.514	S	S	*	.	H	α-helix	trans	-64.4	-37.1	177.6	-160.8	-63.5	0	0	0	112.3	V27 E28 L29 S35	V27-H31 PolarHBondContact O-N 3.31Å; E28-H31 PolarHBondContact O-N 2.91Å; L29-H31 VanDerWaalsContact C-N 3.33Å; L29-H31 PolarHBondContact O-N 3.47Å; H31-S35 WeakPolarHBondContact O-CB 3.39Å; H31-S35 PolarHBondContact O-N 3.36Å; H31-S35 PolarHBondContact O-OG 3.31Å
32	Y	93.8	Very high	90.5	Very high	167 Å²	167	90.6 Å²	90.6	66%	0.655	50%	0.502	S	S	*	.	H	α-helix	trans	-64.9	-47.9	173.9	176.3	-95.4	0	0	0	111.8	E28 L29 A30 E34 S35 A36	E28-Y32 PolarHBondContact O-N 3.18Å; L29-Y32 PolarHBondContact O-N 2.99Å; A30-Y32 VanDerWaalsContact C-N 3.33Å; A30-Y32 PolarHBondContact O-N 3.43Å; Y32-E34 VanDerWaalsContact C-N 3.33Å; Y32-E34 PolarHBondContact O-N 3.16Å; Y32-S35 PolarHBondContact O-N 3.24Å; Y32-A36 WeakPolarHBondContact O-CB 3.42Å; Y32-A36 PolarHBondContact O-N 3.47Å
33	V	93.9	Very high	91.3	Very high	68 Å²	68	91.5 Å²	91.5	41%	0.412	51%	0.507	S	S	.	.	H	α-helix	trans	-61.8	-42.4	177.9	171	0	0	0	0	111	L29 A30 A36 N37	L29-V33 HydrophobicContact CD1-CG2 4.33Å; L29-V33 WeakPolarHBondContact O-CG2 3.24Å; L29-V33 PolarHBondContact O-N 2.98Å; A30-V33 PolarHBondContact O-N 3.16Å; V33-A36 PolarHBondContact O-N 3.45Å; V33-N37 WeakPolarHBondContact O-CB 3.38Å; V33-N37 VanDerWaalsContact O-CG 3.25Å; V33-N37 PolarHBondContact O-N 3.39Å; V33-N37 PolarHBondContact O-ND2 2.77Å
34	E	93.6	Very high	92.2	Very high	132 Å²	132	89.6 Å²	89.6	62%	0.617	50%	0.498	S	S	*	.	H	α-helix	trans	-60.4	-46.5	175.4	-176.9	174.5	-163.1	0	0	111.7	A30 Y32 N37 S38	A30-E34 WeakPolarHBondContact O-CB 3.35Å; A30-E34 PolarHBondContact O-N 2.86Å; Y32-E34 VanDerWaalsContact C-N 3.33Å; Y32-E34 PolarHBondContact O-N 3.16Å; E34-N37 PolarHBondContact O-N 2.92Å; E34-S38 PolarHBondContact O-N 2.99Å
35	S	94.4	Very high	92.8	Very high	41 Å²	41	87.8 Å²	87.8	29%	0.287	49%	0.494	S	S	.	.	H	α-helix	trans	-62.1	-45.4	177.2	-58.4	0	0	0	0	111.6	H31 Y32 N37 S38 F39	H31-S35 WeakPolarHBondContact O-CB 3.39Å; H31-S35 PolarHBondContact O-N 3.36Å; H31-S35 PolarHBondContact O-OG 3.31Å; Y32-S35 PolarHBondContact O-N 3.24Å; S35-N37 PolarHBondContact O-N 3.32Å; S35-S38 WeakPolarHBondContact O-CB 3.36Å; S35-S38 PolarHBondContact O-N 3.27Å; S35-F39 WeakPolarHBondContact O-CD2 3.35Å; S35-F39 PolarHBondContact O-N 2.97Å
36	A	94.1	Very high	93.3	Very high	33 Å²	33	88.2 Å²	88.2	27%	0.273	50%	0.5	S	S	.	.	H	α-helix	trans	-60	-45.3	176.9	0	0	0	0	0	111.9	Y32 V33 S38 F39 V40	Y32-A36 WeakPolarHBondContact O-CB 3.42Å; Y32-A36 PolarHBondContact O-N 3.47Å; V33-A36 PolarHBondContact O-N 3.45Å; A36-S38 VanDerWaalsContact C-N 3.32Å; A36-S38 PolarHBondContact O-N 3.26Å; A36-F39 PolarHBondContact O-N 3.47Å; A36-V40 WeakPolarHBondContact O-CG2 3.4Å; A36-V40 PolarHBondContact O-N 2.9Å
37	N	94.4	Very high	93.9	Very high	103 Å²	103	89 Å²	89	55%	0.551	50%	0.501	S	S	*	.	H	α-helix	trans	-61.8	-40	176	-73.7	-19.7	0	0	0	111.9	V33 E34 S35 V40 S41	V33-N37 WeakPolarHBondContact O-CB 3.38Å; V33-N37 VanDerWaalsContact O-CG 3.25Å; V33-N37 PolarHBondContact O-N 3.39Å; V33-N37 PolarHBondContact O-ND2 2.77Å; E34-N37 PolarHBondContact O-N 2.92Å; S35-N37 PolarHBondContact O-N 3.32Å; N37-V40 PolarHBondContact O-N 2.91Å; N37-S41 VanDerWaalsContact O-CB 3.28Å; N37-S41 WeakPolarHBondContact O-CB 3.39Å; N37-S41 PolarHBondContact O-N 2.98Å
38	S	95.1	Very high	94.3	Very high	78 Å²	78	89.2 Å²	89.2	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-60.6	-45.8	174.8	-175.2	0	0	0	0	111.7	E34 S35 A36 S41 A42	E34-S38 PolarHBondContact O-N 2.99Å; S35-S38 WeakPolarHBondContact O-CB 3.36Å; S35-S38 PolarHBondContact O-N 3.27Å; A36-S38 VanDerWaalsContact C-N 3.32Å; A36-S38 PolarHBondContact O-N 3.26Å; S38-S41 PolarHBondContact O-N 3.15Å; S38-A42 WeakPolarHBondContact O-CB 3.38Å; S38-A42 PolarHBondContact O-N 3.35Å
39	F	95.4	Very high	94.6	Very high	150 Å²	150	90.3 Å²	90.3	66%	0.658	50%	0.497	S	S	*	.	H	α-helix	trans	-63.6	-43.7	176.4	-67.9	-55.9	0	0	0	113	S35 A36 S41 A42 N43	S35-F39 WeakPolarHBondContact O-CD2 3.35Å; S35-F39 PolarHBondContact O-N 2.97Å; A36-F39 PolarHBondContact O-N 3.47Å; F39-S41 VanDerWaalsContact C-N 3.34Å; F39-A42 PolarHBondContact O-N 3.29Å; F39-N43 WeakPolarHBondContact O-CB 3.28Å; F39-N43 PolarHBondContact O-N 3.39Å
40	V	96.1	Very high	95	Very high	100 Å²	100	90.7 Å²	90.7	61%	0.606	50%	0.499	S	S	*	.	H	α-helix	trans	-62.1	-44.6	177.2	171.7	0	0	0	0	110.5	A36 N37 N43 A44	A36-V40 WeakPolarHBondContact O-CG2 3.4Å; A36-V40 PolarHBondContact O-N 2.9Å; N37-V40 PolarHBondContact O-N 2.91Å; V40-N43 PolarHBondContact O-N 3.04Å; V40-A44 WeakPolarHBondContact O-CB 3.02Å; V40-A44 PolarHBondContact O-N 3.38Å
41	S	95.2	Very high	95.3	Very high	69 Å²	69	91.9 Å²	91.9	48%	0.483	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-46.6	176.8	-177	0	0	0	0	111.9	N37 S38 F39 N43 A44 C45	N37-S41 VanDerWaalsContact O-CB 3.28Å; N37-S41 WeakPolarHBondContact O-CB 3.39Å; N37-S41 PolarHBondContact O-N 2.98Å; S38-S41 PolarHBondContact O-N 3.15Å; F39-S41 VanDerWaalsContact C-N 3.34Å; S41-N43 VanDerWaalsContact C-N 3.34Å; S41-N43 PolarHBondContact O-N 2.99Å; S41-A44 PolarHBondContact O-N 3.22Å; S41-C45 WeakPolarHBondContact O-CB 3.36Å; S41-C45 PolarHBondContact O-N 3.33Å; S41-C45 PolarHBondContact O-SG 3Å; S41-C45 VanDerWaalsContact O-SG 3.34Å
42	A	95.5	Very high	95.6	Very high	60 Å²	60	89.5 Å²	89.5	50%	0.496	49%	0.49	S	S	.	.	H	α-helix	trans	-60.6	-43.4	177.3	0	0	0	0	0	111.9	S38 F39 C45 S46	S38-A42 WeakPolarHBondContact O-CB 3.38Å; S38-A42 PolarHBondContact O-N 3.35Å; F39-A42 PolarHBondContact O-N 3.29Å; A42-C45 PolarHBondContact O-N 3.07Å; A42-S46 PolarHBondContact O-N 3.48Å
43	N	95.5	Very high	95.8	Very high	84 Å²	84	85.9 Å²	85.9	45%	0.449	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-49.6	175.7	-171.7	1.4	0	0	0	111.3	F39 V40 S41 C45 S46 Q47	F39-N43 WeakPolarHBondContact O-CB 3.28Å; F39-N43 PolarHBondContact O-N 3.39Å; V40-N43 PolarHBondContact O-N 3.04Å; S41-N43 VanDerWaalsContact C-N 3.34Å; S41-N43 PolarHBondContact O-N 2.99Å; N43-C45 VanDerWaalsContact C-N 3.34Å; N43-C45 PolarHBondContact O-N 3.25Å; N43-S46 PolarHBondContact O-N 3.11Å; N43-S46 VanDerWaalsContact O-N 3.09Å; N43-S46 PolarHBondContact O-OG 2.89Å; N43-Q47 WeakPolarHBondContact O-CG 3.43Å; N43-Q47 PolarHBondContact O-N 3.39Å; N43-Q47 PolarHBondContact OD1-NE2 2.95Å
44	A	95.5	Very high	96	Very high	44 Å²	44	88.7 Å²	88.7	36%	0.364	49%	0.488	S	S	.	.	H	α-helix	trans	-57.4	-45.8	177.4	0	0	0	0	0	111.9	V40 S41 S46 Q47 L48	V40-A44 WeakPolarHBondContact O-CB 3.02Å; V40-A44 PolarHBondContact O-N 3.38Å; S41-A44 PolarHBondContact O-N 3.22Å; A44-S46 VanDerWaalsContact C-N 3.33Å; A44-S46 PolarHBondContact O-N 2.85Å; A44-Q47 PolarHBondContact O-N 3.42Å; A44-L48 WeakPolarHBondContact O-CB 3.44Å; A44-L48 VanDerWaalsContact O-CG 3.3Å; A44-L48 WeakPolarHBondContact O-CG 3.45Å; A44-L48 PolarHBondContact O-N 3.35Å
45	C	95.7	Very high	96.2	Very high	77 Å²	77	88.2 Å²	88.2	52%	0.52	49%	0.487	S	S	.	.	H	α-helix	trans	-58.1	-43.7	174.5	-76.1	0	0	0	0	112.2	S41 A42 N43 Q47 L48 R49	S41-C45 WeakPolarHBondContact O-CB 3.36Å; S41-C45 PolarHBondContact O-N 3.33Å; S41-C45 PolarHBondContact O-SG 3Å; S41-C45 VanDerWaalsContact O-SG 3.34Å; A42-C45 PolarHBondContact O-N 3.07Å; N43-C45 VanDerWaalsContact C-N 3.34Å; N43-C45 PolarHBondContact O-N 3.25Å; C45-Q47 PolarHBondContact O-N 2.95Å; C45-L48 PolarHBondContact O-N 3.07Å; C45-R49 PolarHBondContact O-N 3.49Å
46	S	95.8	Very high	96.4	Very high	53 Å²	53	92.3 Å²	92.3	37%	0.371	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-39.5	178.8	77.5	0	0	0	0	112.9	A42 N43 A44 R49 L50	A42-S46 PolarHBondContact O-N 3.48Å; N43-S46 PolarHBondContact O-N 3.11Å; N43-S46 VanDerWaalsContact O-N 3.09Å; N43-S46 PolarHBondContact O-OG 2.89Å; A44-S46 VanDerWaalsContact C-N 3.33Å; A44-S46 PolarHBondContact O-N 2.85Å; S46-R49 WeakPolarHBondContact O-CB 3.49Å; S46-R49 PolarHBondContact O-N 3.37Å; S46-L50 PolarHBondContact O-N 2.89Å
47	Q	95.7	Very high	96.6	Very high	108 Å²	108	96.1 Å²	96.1	51%	0.505	51%	0.513	S	S	.	.	H	α-helix	trans	-71.3	-43.2	178.3	-66.6	180	22	0	0	111.6	N43 A44 C45 R49 L50 I51	N43-Q47 WeakPolarHBondContact O-CG 3.43Å; N43-Q47 PolarHBondContact O-N 3.39Å; N43-Q47 PolarHBondContact OD1-NE2 2.95Å; A44-Q47 PolarHBondContact O-N 3.42Å; C45-Q47 PolarHBondContact O-N 2.95Å; Q47-R49 PolarHBondContact O-N 2.93Å; Q47-L50 PolarHBondContact O-N 3.4Å; Q47-I51 PolarHBondContact O-N 3.44Å
48	L	97.5	Very high	96.8	Very high	105 Å²	105	96.2 Å²	96.2	55%	0.55	51%	0.514	S	S	.	.	H	α-helix	trans	-59.8	-36.2	174.8	-72.2	172.5	0	0	0	111.7	A44 C45 L50 I51 V52	A44-L48 WeakPolarHBondContact O-CB 3.44Å; A44-L48 VanDerWaalsContact O-CG 3.3Å; A44-L48 WeakPolarHBondContact O-CG 3.45Å; A44-L48 PolarHBondContact O-N 3.35Å; C45-L48 PolarHBondContact O-N 3.07Å; L48-L50 PolarHBondContact O-N 3.35Å; L48-I51 PolarHBondContact O-N 2.96Å; L48-V52 WeakPolarHBondContact O-CG2 3.39Å; L48-V52 PolarHBondContact O-N 3.28Å
49	R	97.3	Very high	96.9	Very high	159 Å²	159	99.1 Å²	99.1	60%	0.6	52%	0.516	S	S	*	.	H	α-helix	trans	-59.2	-46.2	174.8	-169.7	179.9	73.2	-168.7	-0.6	112	C45 S46 Q47 I51 V52 E53	C45-R49 PolarHBondContact O-N 3.49Å; S46-R49 WeakPolarHBondContact O-CB 3.49Å; S46-R49 PolarHBondContact O-N 3.37Å; Q47-R49 PolarHBondContact O-N 2.93Å; R49-I51 VanDerWaalsContact C-N 3.33Å; R49-I51 PolarHBondContact O-N 3.02Å; R49-V52 PolarHBondContact O-N 2.69Å; R49-E53 IonicContact NE-OE1 2.72Å; R49-E53 WeakPolarHBondContact O-CG 3.48Å; R49-E53 PolarHBondContact O-N 3.18Å
50	L	97.2	Very high	97.1	Very high	95 Å²	95	95.4 Å²	95.4	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-42	177.1	-65.8	174.8	0	0	0	111.9	S46 Q47 L48 V52 E53 Q54	S46-L50 PolarHBondContact O-N 2.89Å; Q47-L50 PolarHBondContact O-N 3.4Å; L48-L50 PolarHBondContact O-N 3.35Å; L50-V52 VanDerWaalsContact C-N 3.35Å; L50-E53 PolarHBondContact O-N 3.03Å; L50-Q54 WeakPolarHBondContact O-CG 3.3Å; L50-Q54 PolarHBondContact O-N 3.22Å
51	I	97.2	Very high	97.1	Very high	83 Å²	83	94.7 Å²	94.7	43%	0.426	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-44.5	176.6	-64.5	170.7	0	0	0	110.4	Q47 L48 R49 E53 Q54 M55	Q47-I51 PolarHBondContact O-N 3.44Å; L48-I51 PolarHBondContact O-N 2.96Å; R49-I51 VanDerWaalsContact C-N 3.33Å; R49-I51 PolarHBondContact O-N 3.02Å; I51-E53 PolarHBondContact O-N 3.09Å; I51-Q54 PolarHBondContact O-N 3.31Å; I51-M55 HydrophobicContact CG2-CG 4.37Å; I51-M55 HydrophobicContact CG2-SD 4.11Å; I51-M55 VanDerWaalsContact O-CG 3.3Å; I51-M55 WeakPolarHBondContact O-CG 3.27Å; I51-M55 PolarHBondContact O-N 3.48Å
52	V	97.7	Very high	97.2	Very high	71 Å²	71	93.6 Å²	93.6	43%	0.43	49%	0.494	S	S	.	.	H	α-helix	trans	-61.3	-43.8	177.9	169.8	0	0	0	0	111.3	L48 R49 L50 Q54 M55 Q56	L48-V52 WeakPolarHBondContact O-CG2 3.39Å; L48-V52 PolarHBondContact O-N 3.28Å; R49-V52 PolarHBondContact O-N 2.69Å; L50-V52 VanDerWaalsContact C-N 3.35Å; V52-Q54 VanDerWaalsContact C-N 3.34Å; V52-Q54 PolarHBondContact O-N 3.43Å; V52-M55 PolarHBondContact O-N 3.48Å; V52-Q56 WeakPolarHBondContact O-CG 3.36Å; V52-Q56 PolarHBondContact O-N 2.87Å
53	E	98.3	Very high	97.4	Very high	91 Å²	91	96.6 Å²	96.6	43%	0.425	50%	0.496	S	S	.	.	H	α-helix	trans	-59.3	-45	175.6	-72.2	169.1	-166.5	0	0	111.3	R49 L50 I51 M55 Q56 H57	R49-E53 IonicContact NE-OE1 2.72Å; R49-E53 WeakPolarHBondContact O-CG 3.48Å; R49-E53 PolarHBondContact O-N 3.18Å; L50-E53 PolarHBondContact O-N 3.03Å; I51-E53 PolarHBondContact O-N 3.09Å; E53-M55 PolarHBondContact O-N 3.42Å; E53-Q56 WeakPolarHBondContact O-CB 3.39Å; E53-Q56 PolarHBondContact O-N 2.98Å; E53-H57 PolarHBondContact O-N 3.38Å
54	Q	98.3	Very high	97.4	Very high	127 Å²	127	94.4 Å²	94.4	59%	0.593	49%	0.49	S	S	*	.	H	α-helix	trans	-63.6	-40.9	175.9	-71.4	175	-15.1	0	0	112.4	L50 I51 V52 Q56 H57 L58	L50-Q54 WeakPolarHBondContact O-CG 3.3Å; L50-Q54 PolarHBondContact O-N 3.22Å; I51-Q54 PolarHBondContact O-N 3.31Å; V52-Q54 VanDerWaalsContact C-N 3.34Å; V52-Q54 PolarHBondContact O-N 3.43Å; Q54-Q56 VanDerWaalsContact C-N 3.32Å; Q54-Q56 PolarHBondContact O-N 3.34Å; Q54-H57 WeakPolarHBondContact O-CB 3.49Å; Q54-H57 PolarHBondContact O-N 2.88Å; Q54-L58 WeakPolarHBondContact O-CG 3.46Å; Q54-L58 PolarHBondContact O-N 2.93Å
55	M	98	Very high	97.5	Very high	121 Å²	121	97.6 Å²	97.6	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-62.2	-40	175.2	-72.7	176.7	67.3	0	0	112	I51 V52 E53 H57 L58 K59	I51-M55 HydrophobicContact CG2-CG 4.37Å; I51-M55 HydrophobicContact CG2-SD 4.11Å; I51-M55 VanDerWaalsContact O-CG 3.3Å; I51-M55 WeakPolarHBondContact O-CG 3.27Å; I51-M55 PolarHBondContact O-N 3.48Å; V52-M55 PolarHBondContact O-N 3.48Å; E53-M55 PolarHBondContact O-N 3.42Å; M55-H57 VanDerWaalsContact C-N 3.32Å; M55-L58 PolarHBondContact O-N 3.47Å; M55-K59 WeakPolarHBondContact O-CB 3.45Å; M55-K59 PolarHBondContact O-N 3.23Å
56	Q	98.3	Very high	97.6	Very high	127 Å²	127	99.7 Å²	99.7	59%	0.593	50%	0.504	S	S	*	.	H	α-helix	trans	-63.6	-41.6	175.1	-71.3	175.8	7.5	0	0	111.2	V52 E53 Q54 K59 S60	V52-Q56 WeakPolarHBondContact O-CG 3.36Å; V52-Q56 PolarHBondContact O-N 2.87Å; E53-Q56 WeakPolarHBondContact O-CB 3.39Å; E53-Q56 PolarHBondContact O-N 2.98Å; Q54-Q56 VanDerWaalsContact C-N 3.32Å; Q54-Q56 PolarHBondContact O-N 3.34Å; Q56-K59 PolarHBondContact O-N 3.08Å; Q56-S60 PolarHBondContact O-N 2.94Å
57	H	98.4	Very high	97.7	Very high	113 Å²	113	103.4 Å²	103.4	52%	0.523	52%	0.516	S	S	.	.	H	α-helix	trans	-61.7	-48.1	175.1	-174.4	60.5	0	0	0	111.9	E53 Q54 M55 K59 S60 Q61	E53-H57 PolarHBondContact O-N 3.38Å; Q54-H57 WeakPolarHBondContact O-CB 3.49Å; Q54-H57 PolarHBondContact O-N 2.88Å; M55-H57 VanDerWaalsContact C-N 3.32Å; H57-K59 VanDerWaalsContact C-N 3.3Å; H57-K59 PolarHBondContact O-N 3.45Å; H57-S60 WeakPolarHBondContact O-CB 3.35Å; H57-S60 PolarHBondContact O-N 3.18Å; H57-S60 VanDerWaalsContact O-N 3.07Å; H57-Q61 PolarHBondContact CD2-NE2 3.17Å; H57-Q61 PolarHBondContact NE2-NE2 3.33Å; H57-Q61 WeakPolarHBondContact O-CG 3.32Å; H57-Q61 PolarHBondContact O-N 3.21Å
58	L	98.6	Very high	97.8	Very high	106 Å²	106	101.9 Å²	101.9	56%	0.555	51%	0.511	S	S	*	.	H	α-helix	trans	-58.5	-41.2	175.4	-71.9	172.9	0	0	0	112.2	Q54 M55 S60 Q61 A62	Q54-L58 WeakPolarHBondContact O-CG 3.46Å; Q54-L58 PolarHBondContact O-N 2.93Å; M55-L58 PolarHBondContact O-N 3.47Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 3.26Å; L58-Q61 PolarHBondContact O-N 2.94Å; L58-A62 WeakPolarHBondContact O-CB 3.4Å; L58-A62 PolarHBondContact O-N 3.17Å
59	K	98.3	Very high	97.8	Very high	139 Å²	139	99.3 Å²	99.3	60%	0.604	51%	0.505	S	S	*	.	H	α-helix	trans	-62.5	-39.5	175.6	-178	179.1	-179.8	177.8	0	111.9	M55 Q56 H57 K63	M55-K59 WeakPolarHBondContact O-CB 3.45Å; M55-K59 PolarHBondContact O-N 3.23Å; Q56-K59 PolarHBondContact O-N 3.08Å; H57-K59 VanDerWaalsContact C-N 3.3Å; H57-K59 PolarHBondContact O-N 3.45Å; K59-K63 WeakPolarHBondContact O-CG 3.36Å; K59-K63 PolarHBondContact O-N 3.35Å; K59-K63 VanDerWaalsContact O-N 3.16Å
60	S	98.2	Very high	97.8	Very high	72 Å²	72	97.2 Å²	97.2	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-46.1	175.7	-179.9	0	0	0	0	111.2	Q56 H57 L58 A62 K63 A64	Q56-S60 PolarHBondContact O-N 2.94Å; H57-S60 WeakPolarHBondContact O-CB 3.35Å; H57-S60 PolarHBondContact O-N 3.18Å; H57-S60 VanDerWaalsContact O-N 3.07Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 3.26Å; S60-A62 PolarHBondContact O-N 3.03Å; S60-K63 WeakPolarHBondContact O-CB 3.42Å; S60-K63 PolarHBondContact O-N 3.44Å; S60-A64 PolarHBondContact O-N 3.4Å
61	Q	97.9	Very high	97.8	Very high	84 Å²	84	95.4 Å²	95.4	39%	0.393	49%	0.488	S	S	.	.	H	α-helix	trans	-58.9	-45.3	174.9	-68.4	-175.1	37.2	0	0	112.1	H57 L58 K63 A64 I65	H57-Q61 PolarHBondContact CD2-NE2 3.17Å; H57-Q61 PolarHBondContact NE2-NE2 3.33Å; H57-Q61 WeakPolarHBondContact O-CG 3.32Å; H57-Q61 PolarHBondContact O-N 3.21Å; L58-Q61 PolarHBondContact O-N 2.94Å; Q61-K63 VanDerWaalsContact C-N 3.3Å; Q61-K63 PolarHBondContact O-N 3Å; Q61-A64 WeakPolarHBondContact O-CB 3.33Å; Q61-A64 PolarHBondContact O-N 3.43Å; Q61-A64 VanDerWaalsContact O-N 3.12Å; Q61-I65 WeakPolarHBondContact O-CG1 3.39Å; Q61-I65 PolarHBondContact O-N 3.44Å
62	A	97.4	Very high	97.8	Very high	47 Å²	47	92.5 Å²	92.5	39%	0.388	47%	0.474	S	S	.	.	H	α-helix	trans	-59	-41	178.3	0	0	0	0	0	112.2	L58 S60 I65 I66	L58-A62 WeakPolarHBondContact O-CB 3.4Å; L58-A62 PolarHBondContact O-N 3.17Å; S60-A62 PolarHBondContact O-N 3.03Å; A62-I65 PolarHBondContact O-N 3.35Å; A62-I66 WeakPolarHBondContact O-CG1 3.3Å; A62-I66 PolarHBondContact O-N 3.29Å; A62-I66 VanDerWaalsContact O-N 3.1Å
63	K	98.3	Very high	97.8	Very high	123 Å²	123	92.8 Å²	92.8	54%	0.535	48%	0.475	S	S	.	.	H	α-helix	trans	-62.3	-45.2	174.3	-73.5	178.1	175.3	-171.3	0	111.9	K59 S60 Q61 I65 I66 Q67	K59-K63 WeakPolarHBondContact O-CG 3.36Å; K59-K63 PolarHBondContact O-N 3.35Å; K59-K63 VanDerWaalsContact O-N 3.16Å; S60-K63 WeakPolarHBondContact O-CB 3.42Å; S60-K63 PolarHBondContact O-N 3.44Å; Q61-K63 VanDerWaalsContact C-N 3.3Å; Q61-K63 PolarHBondContact O-N 3Å; K63-I65 PolarHBondContact O-N 3Å; K63-I66 PolarHBondContact O-N 3.49Å; K63-Q67 WeakPolarHBondContact O-CG 3.49Å; K63-Q67 PolarHBondContact O-N 2.97Å
64	A	96.7	Very high	97.8	Very high	38 Å²	38	92.9 Å²	92.9	31%	0.314	48%	0.478	S	S	.	.	H	α-helix	trans	-61.7	-43.2	178.4	0	0	0	0	0	111.6	S60 Q61 I66 Q67 N68	S60-A64 PolarHBondContact O-N 3.4Å; Q61-A64 WeakPolarHBondContact O-CB 3.33Å; Q61-A64 PolarHBondContact O-N 3.43Å; Q61-A64 VanDerWaalsContact O-N 3.12Å; A64-I66 VanDerWaalsContact C-N 3.34Å; A64-I66 PolarHBondContact O-N 3Å; A64-Q67 PolarHBondContact O-N 2.86Å; A64-N68 WeakPolarHBondContact O-CB 3.39Å; A64-N68 PolarHBondContact O-N 3.45Å; A64-N68 PolarHBondContact O-OD1 3.48Å
65	I	97.3	Very high	97.7	Very high	111 Å²	111	87.3 Å²	87.3	57%	0.569	45%	0.453	S	S	*	.	H	α-helix	trans	-58.9	-45.7	176.3	-68.1	164.9	0	0	0	111	Q61 A62 K63 N68 A69	Q61-I65 WeakPolarHBondContact O-CG1 3.39Å; Q61-I65 PolarHBondContact O-N 3.44Å; A62-I65 PolarHBondContact O-N 3.35Å; K63-I65 PolarHBondContact O-N 3Å; I65-N68 PolarHBondContact O-N 3.31Å; I65-A69 WeakPolarHBondContact O-CB 3.33Å; I65-A69 PolarHBondContact O-N 3.3Å
66	I	98.2	Very high	97.7	Very high	120 Å²	120	84.5 Å²	84.5	62%	0.615	44%	0.438	S	S	*	.	H	α-helix	trans	-63.9	-42.8	178.6	-67.9	165.3	0	0	0	111.1	A62 K63 A64 A69 H70	A62-I66 WeakPolarHBondContact O-CG1 3.3Å; A62-I66 PolarHBondContact O-N 3.29Å; A62-I66 VanDerWaalsContact O-N 3.1Å; K63-I66 PolarHBondContact O-N 3.49Å; A64-I66 VanDerWaalsContact C-N 3.34Å; A64-I66 PolarHBondContact O-N 3Å; I66-A69 PolarHBondContact O-N 3.25Å; I66-H70 WeakPolarHBondContact O-CB 3.44Å; I66-H70 PolarHBondContact O-N 3.26Å
67	Q	97.6	Very high	97.6	Very high	132 Å²	132	84.3 Å²	84.3	62%	0.617	44%	0.441	S	S	*	.	H	α-helix	trans	-63.2	-44	177.7	-74	173.6	-30.4	0	0	111.7	K63 A64 H70 R71	K63-Q67 WeakPolarHBondContact O-CG 3.49Å; K63-Q67 PolarHBondContact O-N 2.97Å; A64-Q67 PolarHBondContact O-N 2.86Å; Q67-H70 PolarHBondContact O-N 3.49Å; Q67-R71 WeakPolarHBondContact O-CB 3.36Å; Q67-R71 PolarHBondContact O-N 2.94Å
68	N	96.4	Very high	97.5	Very high	75 Å²	75	80.1 Å²	80.1	40%	0.401	42%	0.422	S	S	.	.	H	α-helix	trans	-63.2	-47.7	176.6	-68.8	-8.4	0	0	0	110.9	A64 I65 H70 R71 D72	A64-N68 WeakPolarHBondContact O-CB 3.39Å; A64-N68 PolarHBondContact O-N 3.45Å; A64-N68 PolarHBondContact O-OD1 3.48Å; I65-N68 PolarHBondContact O-N 3.31Å; N68-H70 VanDerWaalsContact C-N 3.26Å; N68-H70 PolarHBondContact O-N 2.93Å; N68-R71 PolarHBondContact O-N 2.83Å; N68-D72 WeakPolarHBondContact O-CB 3.36Å; N68-D72 PolarHBondContact O-N 3.05Å
69	A	97.4	Very high	97.4	Very high	51 Å²	51	79 Å²	79	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-59.1	-39.2	176.9	0	0	0	0	0	112.2	I65 I66 T73	I65-A69 WeakPolarHBondContact O-CB 3.33Å; I65-A69 PolarHBondContact O-N 3.3Å; I66-A69 PolarHBondContact O-N 3.25Å; A69-T73 WeakPolarHBondContact O-CB 3.41Å; A69-T73 PolarHBondContact O-N 3.35Å; A69-T73 PolarHBondContact O-OG1 2.99Å
70	H	97.8	Very high	97.2	Very high	115 Å²	115	74.3 Å²	74.3	53%	0.532	41%	0.406	S	S	.	.	H	α-helix	trans	-65.7	-50.4	175.9	-177.8	58	0	0	0	112	I66 Q67 N68 D72 T73 L74	I66-H70 WeakPolarHBondContact O-CB 3.44Å; I66-H70 PolarHBondContact O-N 3.26Å; Q67-H70 PolarHBondContact O-N 3.49Å; N68-H70 VanDerWaalsContact C-N 3.26Å; N68-H70 PolarHBondContact O-N 2.93Å; H70-D72 VanDerWaalsContact C-N 3.29Å; H70-D72 PolarHBondContact O-N 3.34Å; H70-T73 WeakPolarHBondContact O-CB 3.35Å; H70-T73 PolarHBondContact O-N 3.43Å; H70-L74 WeakPolarHBondContact NE2-CD1 3.39Å; H70-L74 WeakPolarHBondContact O-CG 3.42Å; H70-L74 PolarHBondContact O-N 3.47Å
71	R	96.9	Very high	97	Very high	58 Å²	58	79.4 Å²	79.4	22%	0.219	43%	0.427	C	S	.	.	H	α-helix	trans	-54.8	-47.9	174.9	177.7	-158.9	61.8	-170.3	-9.7	110.8	Q67 N68 T73 L74 L75 W129	Q67-R71 WeakPolarHBondContact O-CB 3.36Å; Q67-R71 PolarHBondContact O-N 2.94Å; N68-R71 PolarHBondContact O-N 2.83Å; R71-T73 VanDerWaalsContact C-N 3.3Å; R71-T73 PolarHBondContact O-N 2.88Å; R71-L74 WeakPolarHBondContact O-CB 3.48Å; R71-L74 PolarHBondContact O-N 2.94Å; R71-L74 VanDerWaalsContact O-N 3.13Å; R71-L75 HydrophobicContact CG-CD1 3.88Å; R71-L75 HydrophobicContact CG-CG 4.37Å; R71-L75 WeakPolarHBondContact O-CG 3.32Å; R71-L75 PolarHBondContact O-N 3.21Å; R71-W129 PolarHBondContact NH1-O 2.9Å; R71-W129 PolarHBondContact NH2-O 3.39Å
72	D	97.9	Very high	96.8	Very high	22 Å²	22	77.8 Å²	77.8	12%	0.118	42%	0.419	C	S	.	.	H	α-helix	trans	-64	-40.1	-176.7	-65.9	-3.8	0	0	0	111.1	N68 H70 L75 H76 S128 W129	N68-D72 WeakPolarHBondContact O-CB 3.36Å; N68-D72 PolarHBondContact O-N 3.05Å; H70-D72 VanDerWaalsContact C-N 3.29Å; H70-D72 PolarHBondContact O-N 3.34Å; D72-L75 PolarHBondContact O-N 3.45Å; D72-H76 WeakPolarHBondContact O-CB 3.31Å; D72-H76 PolarHBondContact O-CD2 2.95Å; D72-H76 PolarHBondContact O-N 2.87Å; D72-S128 WeakPolarHBondContact OD2-CA 3.42Å; D72-S128 WeakPolarHBondContact OD2-CB 3.49Å; D72-W129 WeakPolarHBondContact OD1-CB 3.5Å; D72-W129 PolarHBondContact OD1-N 2.93Å
73	T	97.9	Very high	96.7	Very high	76 Å²	76	81.1 Å²	81.1	47%	0.466	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-46.5	173	-59.6	0	0	0	0	111.4	A69 H70 R71 H76 N77	A69-T73 WeakPolarHBondContact O-CB 3.41Å; A69-T73 PolarHBondContact O-N 3.35Å; A69-T73 PolarHBondContact O-OG1 2.99Å; H70-T73 WeakPolarHBondContact O-CB 3.35Å; H70-T73 PolarHBondContact O-N 3.43Å; R71-T73 VanDerWaalsContact C-N 3.3Å; R71-T73 PolarHBondContact O-N 2.88Å; T73-H76 PolarHBondContact O-N 2.78Å; T73-N77 WeakPolarHBondContact O-CB 3.43Å; T73-N77 VanDerWaalsContact O-CG 3.23Å; T73-N77 PolarHBondContact O-N 2.82Å; T73-N77 VanDerWaalsContact O-N 3.1Å; T73-N77 PolarHBondContact O-ND2 2.92Å; T73-N77 VanDerWaalsContact O-ND2 3.08Å
74	L	96.9	Very high	96.6	Very high	93 Å²	93	77 Å²	77	49%	0.487	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-47.8	178.2	-71.2	177	0	0	0	111.4	H70 R71 N77 L78	H70-L74 WeakPolarHBondContact NE2-CD1 3.39Å; H70-L74 WeakPolarHBondContact O-CG 3.42Å; H70-L74 PolarHBondContact O-N 3.47Å; R71-L74 WeakPolarHBondContact O-CB 3.48Å; R71-L74 PolarHBondContact O-N 2.94Å; R71-L74 VanDerWaalsContact O-N 3.13Å; L74-N77 PolarHBondContact O-N 3.25Å; L74-L78 PolarHBondContact O-N 2.92Å
75	L	97.7	Very high	96.6	Very high	11 Å²	11	81.4 Å²	81.4	6%	0.058	43%	0.429	C	S	.	.	H	α-helix	trans	-63.3	-44	179	-68.9	173.9	0	0	0	111.5	R71 D72 N77 L78 V92 F102 Y121 W129	R71-L75 HydrophobicContact CG-CD1 3.88Å; R71-L75 HydrophobicContact CG-CG 4.37Å; R71-L75 WeakPolarHBondContact O-CG 3.32Å; R71-L75 PolarHBondContact O-N 3.21Å; D72-L75 PolarHBondContact O-N 3.45Å; L75-N77 PolarHBondContact O-N 2.95Å; L75-L78 HydrophobicContact CD2-CD1 3.86Å; L75-L78 WeakPolarHBondContact O-CB 3.3Å; L75-L78 PolarHBondContact O-N 3.27Å; L75-L78 VanDerWaalsContact O-N 3.08Å; L75-V92 HydrophobicContact CD2-CG2 4.05Å; L75-F102 HydrophobicContact CB-CE2 4.16Å; L75-F102 HydrophobicContact CB-CZ 4.05Å; L75-F102 HydrophobicContact CD2-CE1 4.41Å; L75-F102 HydrophobicContact CD2-CE2 4.44Å; L75-F102 HydrophobicContact CD2-CZ 3.8Å; L75-F102 HydrophobicContact CG-CZ 4.42Å; L75-F102 WeakPolarHBondContact O-CE2 3.34Å; L75-Y121 HydrophobicContact CD1-CD1 3.62Å; L75-Y121 HydrophobicContact CD1-CE1 3.93Å; L75-Y121 HydrophobicContact CD1-CG 3.94Å; L75-Y121 HydrophobicContact CD2-CD2 4.1Å; L75-Y121 HydrophobicContact CD2-CE1 4.45Å; L75-Y121 HydrophobicContact CD2-CE2 4.05Å; L75-Y121 HydrophobicContact CD2-CG 4.33Å; L75-W129 HydrophobicContact CB-CD2 4.12Å; L75-W129 HydrophobicContact CB-CG 4.02Å; L75-W129 HydrophobicContact CD1-CB 3.5Å; L75-W129 VanDerWaalsContact CD1-CB 3.5Å; L75-W129 HydrophobicContact CD1-CD2 3.97Å; L75-W129 HydrophobicContact CD1-CG 3.48Å; L75-W129 VanDerWaalsContact CD1-CG 3.48Å; L75-W129 HydrophobicContact CG-CG 4.41Å
76	H	97.4	Very high	96.6	Very high	62 Å²	62	79.2 Å²	79.2	29%	0.287	42%	0.422	S	S	.	.	H	α-helix	trans	-57.8	-39.5	176.2	-82.7	-51.6	0	0	0	112.6	D72 T73 L78 K84 M127 W129	D72-H76 WeakPolarHBondContact O-CB 3.31Å; D72-H76 PolarHBondContact O-CD2 2.95Å; D72-H76 PolarHBondContact O-N 2.87Å; T73-H76 PolarHBondContact O-N 2.78Å; H76-L78 VanDerWaalsContact C-N 3.3Å; H76-L78 PolarHBondContact O-N 3.41Å; H76-K84 PolarHBondContact O-NZ 3.23Å; H76-M127 PolarHBondContact CE1-O 3.33Å; H76-M127 PolarHBondContact NE2-O 3.3Å; H76-W129 AromaticContact CD2-NE1 3.53Å; H76-W129 AromaticContact CE1-CE2 3.88Å; H76-W129 AromaticContact CE1-CZ2 3.98Å; H76-W129 AromaticContact CE1-NE1 3.28Å; H76-W129 PolarHBondContact CE1-NE1 2.93Å; H76-W129 VanDerWaalsContact CE1-NE1 3.28Å; H76-W129 AromaticContact CG-NE1 3.69Å; H76-W129 AromaticContact ND1-CZ2 3.98Å; H76-W129 AromaticContact ND1-NE1 3.56Å; H76-W129 AromaticContact NE2-CD1 3.89Å; H76-W129 AromaticContact NE2-NE1 3.26Å; H76-W129 PolarHBondContact NE2-NE1 3.49Å
77	N	96.3	Very high	96.4	Very high	122 Å²	122	75.8 Å²	75.8	65%	0.652	42%	0.415	S	S	*	.	H	α-helix	trans	-76.9	-9.5	179.7	-69.2	-28.3	0	0	0	114.3	T73 L74 L75	T73-N77 WeakPolarHBondContact O-CB 3.43Å; T73-N77 VanDerWaalsContact O-CG 3.23Å; T73-N77 PolarHBondContact O-N 2.82Å; T73-N77 VanDerWaalsContact O-N 3.1Å; T73-N77 PolarHBondContact O-ND2 2.92Å; T73-N77 VanDerWaalsContact O-ND2 3.08Å; L74-N77 PolarHBondContact O-N 3.25Å; L75-N77 PolarHBondContact O-N 2.95Å
78	L	96.8	Very high	96.4	Very high	25 Å²	25	73 Å²	73	13%	0.131	41%	0.405	C	S	.	.	S	Bend	trans	-63.2	133.9	177.3	-73.1	-177.9	0	0	0	111	L74 L75 H76 C80 K84 V92 Q100 F102	L74-L78 PolarHBondContact O-N 2.92Å; L75-L78 HydrophobicContact CD2-CD1 3.86Å; L75-L78 WeakPolarHBondContact O-CB 3.3Å; L75-L78 PolarHBondContact O-N 3.27Å; L75-L78 VanDerWaalsContact O-N 3.08Å; H76-L78 VanDerWaalsContact C-N 3.3Å; H76-L78 PolarHBondContact O-N 3.41Å; L78-C80 PolarHBondContact O-N 3.32Å; L78-K84 PolarHBondContact O-NZ 3.44Å; L78-V92 HydrophobicContact CD1-CG1 3.88Å; L78-V92 HydrophobicContact CD1-CG2 3.75Å; L78-Q100 HydrophobicContact CD2-CB 3.74Å; L78-F102 HydrophobicContact CB-CD2 3.78Å; L78-F102 HydrophobicContact CB-CE2 4.19Å; L78-F102 HydrophobicContact CB-CG 4.49Å; L78-F102 HydrophobicContact CD1-CD2 4.15Å; L78-F102 HydrophobicContact CD1-CE2 4.13Å; L78-F102 HydrophobicContact CD1-CG 4.45Å; L78-F102 HydrophobicContact CD1-CZ 4.38Å
79	P	96.4	Very high	96.4	Very high	84 Å²	84	71.9 Å²	71.9	55%	0.545	40%	0.4	S	S	.	.			trans	-55.7	136.6	174.1	-24.2	32.5	0	0	0	112.1	Q100 Y101 F102	P79-Q100 WeakPolarHBondContact CD-O 3.45Å; P79-Y101 WeakPolarHBondContact O-CB 3.29Å; P79-F102 PolarHBondContact O-N 3.44Å
80	C	94	Very high	96.4	Very high	39 Å²	39	69.5 Å²	69.5	26%	0.264	38%	0.381	S	S	.	.			trans	-153.1	148.4	172.8	59.3	0	0	0	0	110.8	L78 F82 K84 F102	L78-C80 PolarHBondContact O-N 3.32Å; C80-F82 VanDerWaalsContact C-N 3.3Å; C80-F82 HydrophobicContact CB-CD1 4.38Å; C80-F82 HydrophobicContact CB-CD2 4.15Å; C80-F82 HydrophobicContact CB-CE1 4.09Å; C80-F82 HydrophobicContact CB-CE2 3.82Å; C80-F82 HydrophobicContact CB-CG 4.42Å; C80-F82 HydrophobicContact CB-CZ 3.84Å; C80-F82 PolarHBondContact SG-O 3.06Å; C80-K84 PolarHBondContact SG-NZ 3.07Å; C80-F102 HydrophobicContact CB-CB 3.99Å
81	N	93.3	Very high	96.4	Very high	179 Å²	179	65.9 Å²	65.9	96%	0.957	36%	0.362	S	S	*	.	S	Bend	trans	-94	17.6	177.9	-65.7	-30.1	0	0	0	112.8
82	F	94.7	Very high	96.5	Very high	50 Å²	50	63.2 Å²	63.2	22%	0.219	35%	0.353	C	S	.	.	S	Bend	trans	-143.1	161.5	-175.4	49.6	-101.2	0	0	0	110.8	C80 Y90 F102 L104	C80-F82 VanDerWaalsContact C-N 3.3Å; C80-F82 HydrophobicContact CB-CD1 4.38Å; C80-F82 HydrophobicContact CB-CD2 4.15Å; C80-F82 HydrophobicContact CB-CE1 4.09Å; C80-F82 HydrophobicContact CB-CE2 3.82Å; C80-F82 HydrophobicContact CB-CG 4.42Å; C80-F82 HydrophobicContact CB-CZ 3.84Å; C80-F82 PolarHBondContact SG-O 3.06Å; F82-Y90 HydrophobicContact CD2-CD1 4.24Å; F82-Y90 AromaticContact CD2-CE1 3.77Å; F82-Y90 HydrophobicContact CD2-CE1 3.77Å; F82-Y90 AromaticContact CE2-CD1 3.32Å; F82-Y90 HydrophobicContact CE2-CD1 3.32Å; F82-Y90 AromaticContact CE2-CE1 3.31Å; F82-Y90 HydrophobicContact CE2-CE1 3.31Å; F82-Y90 AromaticContact CZ-CD1 3.8Å; F82-Y90 HydrophobicContact CZ-CD1 3.8Å; F82-Y90 HydrophobicContact CZ-CE1 4.17Å; F82-F102 WeakPolarHBondContact CE1-O 3.49Å; F82-F102 HydrophobicContact CE2-CB 4.33Å; F82-F102 HydrophobicContact CZ-CB 3.79Å; F82-L104 HydrophobicContact CB-CD1 4.46Å; F82-L104 HydrophobicContact CD1-CD1 4.05Å; F82-L104 HydrophobicContact CD1-CG 3.93Å; F82-L104 HydrophobicContact CD2-CD2 4.43Å; F82-L104 HydrophobicContact CD2-CG 4.45Å; F82-L104 HydrophobicContact CE1-CD1 4.47Å; F82-L104 HydrophobicContact CE1-CG 3.86Å; F82-L104 HydrophobicContact CE2-CD2 4.33Å; F82-L104 HydrophobicContact CE2-CG 4.4Å; F82-L104 HydrophobicContact CG-CD1 4.18Å; F82-L104 HydrophobicContact CG-CG 4.21Å; F82-L104 HydrophobicContact CZ-CD2 4.39Å; F82-L104 HydrophobicContact CZ-CG 4.07Å
83	V	94.9	Very high	96.5	Very high	117 Å²	117	62.3 Å²	62.3	71%	0.709	35%	0.348	S	S	*	.			trans	-83.9	125.2	174.5	-178.9	0	0	0	0	109.3
84	K	95.9	Very high	96.5	Very high	38 Å²	38	61 Å²	61	17%	0.165	34%	0.336	C	S	.	.			trans	-72.2	131	175.7	-52.7	-179.5	175.6	99.9	0	109.2	H76 L78 C80 Y90 F102 L123 W129	H76-K84 PolarHBondContact O-NZ 3.23Å; L78-K84 PolarHBondContact O-NZ 3.44Å; C80-K84 PolarHBondContact SG-NZ 3.07Å; K84-Y90 WeakPolarHBondContact CA-OH 3.49Å; K84-F102 HydrophobicContact CD-CD2 4.43Å; K84-F102 HydrophobicContact CD-CE2 4.37Å; K84-L123 HydrophobicContact CB-CD2 3.84Å; K84-W129 HydrophobicContact CD-CH2 3.9Å; K84-W129 HydrophobicContact CD-CZ2 3.72Å
85	K	96.7	Very high	96.4	Very high	130 Å²	130	60.2 Å²	60.2	57%	0.565	33%	0.329	S	S	*	.			trans	-127.2	133.5	-176.8	-67.6	-175.7	-180	-179.6	0	109.7	N88 Y90	K85-N88 WeakPolarHBondContact O-CB 3.38Å; K85-N88 PolarHBondContact O-N 3.45Å; K85-Y90 PolarHBondContact N-OH 3.37Å; K85-Y90 PolarHBondContact O-OH 3.37Å
86	P	97.2	Very high	96.3	Very high	65 Å²	65	65.5 Å²	65.5	42%	0.422	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	147.7	173.6	-28.9	36.8	0	0	0	113.3	N88 L123 M127	P86-N88 VanDerWaalsContact C-N 3.28Å; P86-N88 PolarHBondContact O-N 3.47Å; P86-L123 CarbonylContact C-O 3.53Å; P86-L123 WeakPolarHBondContact CA-O 3.49Å; P86-M127 HydrophobicContact CG-SD 3.87Å
87	G	95.4	Very high	96.2	Very high	47 Å²	47	67.9 Å²	67.9	49%	0.485	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-19.7	-177.4	0	0	0	0	0	114.3	L123	G87-L123 PolarHBondContact N-O 2.99Å
88	N	96.7	Very high	96	Very high	75 Å²	75	65.5 Å²	65.5	40%	0.401	38%	0.376	S	S	.	.			trans	-88.2	151.8	-178	-67.8	-8.8	0	0	0	112.5	K85 P86 Y90 K122 L123	K85-N88 WeakPolarHBondContact O-CB 3.38Å; K85-N88 PolarHBondContact O-N 3.45Å; P86-N88 VanDerWaalsContact C-N 3.28Å; P86-N88 PolarHBondContact O-N 3.47Å; N88-Y90 HydrophobicContact CB-CD2 4.44Å; N88-Y90 HydrophobicContact CB-CE2 3.63Å; N88-K122 WeakPolarHBondContact O-CA 3.3Å; N88-L123 PolarHBondContact O-N 3.07Å
89	V	96.9	Very high	96	Very high	50 Å²	50	66.2 Å²	66.2	30%	0.303	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.5	170.9	-177.7	0	0	0	0	109.5	Y91 A120 Y121 K122	V89-Y91 HydrophobicContact CG1-CE1 4.29Å; V89-Y91 HydrophobicContact CG1-CE2 4.47Å; V89-A120 HydrophobicContact CG1-CB 4.05Å; V89-Y121 CarbonylContact C-O 3.59Å; V89-Y121 WeakPolarHBondContact CA-O 3.29Å; V89-K122 HydrophobicContact CG2-CB 4.13Å; V89-K122 HydrophobicContact CG2-CG 4.24Å
90	Y	97.9	Very high	96	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.008	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143	-179.9	-62.4	-84.5	0	0	0	109.8	F82 K84 K85 N88 L104 A120 Y121 L123 W129	F82-Y90 HydrophobicContact CD2-CD1 4.24Å; F82-Y90 AromaticContact CD2-CE1 3.77Å; F82-Y90 HydrophobicContact CD2-CE1 3.77Å; F82-Y90 AromaticContact CE2-CD1 3.32Å; F82-Y90 HydrophobicContact CE2-CD1 3.32Å; F82-Y90 AromaticContact CE2-CE1 3.31Å; F82-Y90 HydrophobicContact CE2-CE1 3.31Å; F82-Y90 AromaticContact CZ-CD1 3.8Å; F82-Y90 HydrophobicContact CZ-CD1 3.8Å; F82-Y90 HydrophobicContact CZ-CE1 4.17Å; K84-Y90 WeakPolarHBondContact CA-OH 3.49Å; K85-Y90 PolarHBondContact N-OH 3.37Å; K85-Y90 PolarHBondContact O-OH 3.37Å; N88-Y90 HydrophobicContact CB-CD2 4.44Å; N88-Y90 HydrophobicContact CB-CE2 3.63Å; Y90-L104 HydrophobicContact CD1-CD2 3.79Å; Y90-L104 HydrophobicContact CE1-CD2 3.49Å; Y90-L104 VanDerWaalsContact CE1-CD2 3.49Å; Y90-A120 CarbonylContact O-C 3.54Å; Y90-A120 WeakPolarHBondContact O-CA 3.43Å; Y90-Y121 PolarHBondContact N-O 3.26Å; Y90-Y121 PolarHBondContact O-N 2.75Å; Y90-L123 HydrophobicContact CD2-CB 4.44Å; Y90-L123 HydrophobicContact CE2-CB 4.13Å; Y90-W129 AromaticContact CD2-CH2 3.79Å; Y90-W129 HydrophobicContact CD2-CH2 3.79Å; Y90-W129 AromaticContact CD2-CZ3 3.63Å; Y90-W129 HydrophobicContact CD2-CZ3 3.63Å; Y90-W129 HydrophobicContact CE2-CH2 4.28Å; Y90-W129 HydrophobicContact CE2-CZ3 4.39Å; Y90-W129 HydrophobicContact CG-CH2 4.39Å; Y90-W129 HydrophobicContact CG-CZ3 4.31Å
91	Y	97.7	Very high	96.2	Very high	38 Å²	38	65.3 Å²	65.3	15%	0.149	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.1	-174.8	-56.9	-85.4	0	0	0	110.3	V89 F102 S103 L105 S106 Y117 A120	V89-Y91 HydrophobicContact CG1-CE1 4.29Å; V89-Y91 HydrophobicContact CG1-CE2 4.47Å; Y91-F102 CarbonylContact O-C 3.45Å; Y91-F102 WeakPolarHBondContact O-CA 3.46Å; Y91-S103 PolarHBondContact N-O 2.63Å; Y91-S103 PolarHBondContact O-N 2.98Å; Y91-L105 VanDerWaalsContact CD2-C 3.43Å; Y91-L105 WeakPolarHBondContact CD2-O 3.34Å; Y91-S106 WeakPolarHBondContact OH-CB 3.43Å; Y91-Y117 HydrophobicContact CD1-CE2 4.04Å; Y91-A120 HydrophobicContact CD1-CB 3.58Å; Y91-A120 HydrophobicContact CE1-CB 3.63Å
92	V	97.9	Very high	96.4	Very high	2 Å²	2	57 Å²	57	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.5	177.3	-178.1	0	0	0	0	109.3	L75 L78 Q100 Y101 F102 I118 G119 Y121	L75-V92 HydrophobicContact CD2-CG2 4.05Å; L78-V92 HydrophobicContact CD1-CG1 3.88Å; L78-V92 HydrophobicContact CD1-CG2 3.75Å; V92-Q100 HydrophobicContact CG1-CB 4.1Å; V92-Q100 HydrophobicContact CG1-CG 4.45Å; V92-Y101 WeakPolarHBondContact CA-O 3.38Å; V92-F102 HydrophobicContact CG2-CD1 3.53Å; V92-F102 HydrophobicContact CG2-CE1 3.27Å; V92-F102 HydrophobicContact CG2-CG 4.44Å; V92-F102 HydrophobicContact CG2-CZ 4.04Å; V92-I118 HydrophobicContact CB-CB 4.2Å; V92-I118 HydrophobicContact CG1-CB 4Å; V92-I118 HydrophobicContact CG1-CG1 4.34Å; V92-I118 HydrophobicContact CG1-CG2 4.33Å; V92-I118 PolarHBondContact O-N 3.45Å; V92-G119 PolarHBondContact N-O 3.5Å; V92-Y121 HydrophobicContact CB-CE2 4.22Å; V92-Y121 HydrophobicContact CG2-CD2 3.69Å; V92-Y121 HydrophobicContact CG2-CE2 3.6Å
93	Y	97.5	Very high	96.4	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.7	174	-66.7	-90.9	0	0	0	110.7	Q100 Y101 L105 S106 P107 W110 H115 K116 Y117	Y93-Q100 CarbonylContact O-C 3.6Å; Y93-Q100 VanDerWaalsContact O-CA 3.25Å; Y93-Q100 WeakPolarHBondContact O-CA 3.47Å; Y93-Y101 PolarHBondContact N-O 2.94Å; Y93-Y101 WeakPolarHBondContact O-CD1 3.47Å; Y93-Y101 PolarHBondContact O-N 3.11Å; Y93-L105 WeakPolarHBondContact CE2-O 3.45Å; Y93-L105 PolarHBondContact OH-O 2.89Å; Y93-L105 VanDerWaalsContact OH-O 3.06Å; Y93-S106 PolarHBondContact OH-O 3.17Å; Y93-P107 HydrophobicContact CE1-CG 4.46Å; Y93-P107 WeakPolarHBondContact OH-CA 3.5Å; Y93-P107 WeakPolarHBondContact OH-CD 3.46Å; Y93-W110 HydrophobicContact CD2-CE3 4.47Å; Y93-W110 HydrophobicContact CD2-CZ3 4.1Å; Y93-W110 HydrophobicContact CE1-CE3 4.39Å; Y93-W110 AromaticContact CE2-CE3 3.97Å; Y93-W110 HydrophobicContact CE2-CE3 3.97Å; Y93-W110 HydrophobicContact CE2-CZ3 4.03Å; Y93-W110 HydrophobicContact CG-CZ3 4.48Å; Y93-W110 AromaticContact CZ-CE3 3.92Å; Y93-H115 HydrophobicContact CD1-CB 4.39Å; Y93-K116 CarbonylContact C-O 3.6Å; Y93-K116 VanDerWaalsContact CA-O 3.28Å; Y93-K116 WeakPolarHBondContact CA-O 3.42Å; Y93-Y117 HydrophobicContact CE1-CD2 4.1Å
94	E	97.7	Very high	96.5	Very high	48 Å²	48	54 Å²	54	22%	0.224	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.8	175.8	-177.9	175.8	91.6	0	0	109.9	S99 Q100 H115 K116 I118	E94-S99 WeakPolarHBondContact CA-O 3.43Å; E94-Q100 HydrophobicContact CB-CG 4.11Å; E94-Q100 HydrophobicContact CG-CG 4.29Å; E94-Q100 PolarHBondContact OE2-NE2 3.46Å; E94-H115 WeakPolarHBondContact O-CB 3.35Å; E94-K116 HydrophobicContact CB-CB 4.36Å; E94-K116 PolarHBondContact N-O 3.3Å; E94-K116 PolarHBondContact O-N 2.97Å; E94-K116 IonicContact OE1-NZ 3.07Å; E94-I118 HydrophobicContact CB-CD1 3.72Å; E94-I118 HydrophobicContact CB-CG1 3.76Å
95	K	96.4	Very high	96.5	Very high	78 Å²	78	56 Å²	56	34%	0.339	32%	0.317	S	S	.	.			trans	-79	166.4	176.2	-66.8	-172.8	-158.3	161.6	0	111	D97 A98 S99 Y101	K95-D97 WeakPolarHBondContact CB-OD1 3.34Å; K95-D97 PolarHBondContact O-N 3.34Å; K95-D97 VanDerWaalsContact O-N 3.11Å; K95-A98 WeakPolarHBondContact O-CA 3.38Å; K95-A98 PolarHBondContact O-N 3.16Å; K95-S99 WeakPolarHBondContact CD-OG 3.34Å; K95-S99 PolarHBondContact N-O 2.9Å; K95-Y101 HydrophobicContact CD-CD1 4.32Å; K95-Y101 HydrophobicContact CD-CE1 4.4Å; K95-Y101 HydrophobicContact CG-CD1 3.86Å; K95-Y101 HydrophobicContact CG-CE1 3.69Å
96	P	94.6	Very high	96.4	Very high	122 Å²	122	50 Å²	50	79%	0.792	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.5	176.2	-25.9	35.7	0	0	0	115	A98	P96-A98 PolarHBondContact O-N 3.1Å
97	D	95	Very high	96.3	Very high	112 Å²	112	49.5 Å²	49.5	60%	0.599	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	10.7	174.2	67.7	-4.3	0	0	0	113.4	K95 S99	K95-D97 WeakPolarHBondContact CB-OD1 3.34Å; K95-D97 PolarHBondContact O-N 3.34Å; K95-D97 VanDerWaalsContact O-N 3.11Å; D97-S99 VanDerWaalsContact CG-OG 3.3Å; D97-S99 PolarHBondContact O-N 3.12Å; D97-S99 VanDerWaalsContact OD1-CB 3.22Å; D97-S99 WeakPolarHBondContact OD1-CB 3.38Å; D97-S99 PolarHBondContact OD1-N 2.77Å; D97-S99 PolarHBondContact OD1-OG 2.96Å; D97-S99 PolarHBondContact OD2-OG 3.44Å
98	A	93.4	Very high	96.3	Very high	71 Å²	71	53.5 Å²	53.5	59%	0.587	30%	0.303	S	S	*	.	S	Bend	trans	62.8	9.1	-173.6	0	0	0	0	0	115.1	K95 P96	K95-A98 WeakPolarHBondContact O-CA 3.38Å; K95-A98 PolarHBondContact O-N 3.16Å; P96-A98 PolarHBondContact O-N 3.1Å
99	S	95.6	Very high	96.2	Very high	41 Å²	41	55.9 Å²	55.9	29%	0.287	31%	0.312	S	S	.	.			trans	-76.3	137	172.6	71	0	0	0	0	111	E94 K95 D97	E94-S99 WeakPolarHBondContact CA-O 3.43Å; K95-S99 WeakPolarHBondContact CD-OG 3.34Å; K95-S99 PolarHBondContact N-O 2.9Å; D97-S99 VanDerWaalsContact CG-OG 3.3Å; D97-S99 PolarHBondContact O-N 3.12Å; D97-S99 VanDerWaalsContact OD1-CB 3.22Å; D97-S99 WeakPolarHBondContact OD1-CB 3.38Å; D97-S99 PolarHBondContact OD1-N 2.77Å; D97-S99 PolarHBondContact OD1-OG 2.96Å; D97-S99 PolarHBondContact OD2-OG 3.44Å
100	Q	97.4	Very high	96	Very high	73 Å²	73	56.9 Å²	56.9	34%	0.341	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	148.6	177.8	-66.8	-179.5	4.7	0	0	111.1	L78 P79 V92 Y93 E94	L78-Q100 HydrophobicContact CD2-CB 3.74Å; P79-Q100 WeakPolarHBondContact CD-O 3.45Å; V92-Q100 HydrophobicContact CG1-CB 4.1Å; V92-Q100 HydrophobicContact CG1-CG 4.45Å; Y93-Q100 CarbonylContact O-C 3.6Å; Y93-Q100 VanDerWaalsContact O-CA 3.25Å; Y93-Q100 WeakPolarHBondContact O-CA 3.47Å; E94-Q100 HydrophobicContact CB-CG 4.11Å; E94-Q100 HydrophobicContact CG-CG 4.29Å; E94-Q100 PolarHBondContact OE2-NE2 3.46Å
101	Y	97.4	Very high	95.6	Very high	30 Å²	30	64.3 Å²	64.3	12%	0.118	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	160.5	177.1	71.8	-80.1	0	0	0	110.9	P79 V92 Y93 K95 W110 H115	P79-Y101 WeakPolarHBondContact O-CB 3.29Å; V92-Y101 WeakPolarHBondContact CA-O 3.38Å; Y93-Y101 PolarHBondContact N-O 2.94Å; Y93-Y101 WeakPolarHBondContact O-CD1 3.47Å; Y93-Y101 PolarHBondContact O-N 3.11Å; K95-Y101 HydrophobicContact CD-CD1 4.32Å; K95-Y101 HydrophobicContact CD-CE1 4.4Å; K95-Y101 HydrophobicContact CG-CD1 3.86Å; K95-Y101 HydrophobicContact CG-CE1 3.69Å; Y101-W110 HydrophobicContact CE2-CH2 4.49Å; Y101-W110 WeakPolarHBondContact OH-CH2 3.4Å; Y101-W110 WeakPolarHBondContact OH-CZ3 3.16Å; Y101-H115 AromaticContact CE1-ND1 3.43Å; Y101-H115 WeakPolarHBondContact CE1-ND1 3.47Å; Y101-H115 AromaticContact CZ-ND1 3.47Å; Y101-H115 PolarHBondContact OH-ND1 3.42Å
102	F	97.4	Very high	95.2	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.018	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142.2	176.8	-90.3	-54.2	0	0	0	112.2	L75 L78 P79 C80 F82 K84 Y91 V92 Y121 W129	L75-F102 HydrophobicContact CB-CE2 4.16Å; L75-F102 HydrophobicContact CB-CZ 4.05Å; L75-F102 HydrophobicContact CD2-CE1 4.41Å; L75-F102 HydrophobicContact CD2-CE2 4.44Å; L75-F102 HydrophobicContact CD2-CZ 3.8Å; L75-F102 HydrophobicContact CG-CZ 4.42Å; L75-F102 WeakPolarHBondContact O-CE2 3.34Å; L78-F102 HydrophobicContact CB-CD2 3.78Å; L78-F102 HydrophobicContact CB-CE2 4.19Å; L78-F102 HydrophobicContact CB-CG 4.49Å; L78-F102 HydrophobicContact CD1-CD2 4.15Å; L78-F102 HydrophobicContact CD1-CE2 4.13Å; L78-F102 HydrophobicContact CD1-CG 4.45Å; L78-F102 HydrophobicContact CD1-CZ 4.38Å; P79-F102 PolarHBondContact O-N 3.44Å; C80-F102 HydrophobicContact CB-CB 3.99Å; F82-F102 WeakPolarHBondContact CE1-O 3.49Å; F82-F102 HydrophobicContact CE2-CB 4.33Å; F82-F102 HydrophobicContact CZ-CB 3.79Å; K84-F102 HydrophobicContact CD-CD2 4.43Å; K84-F102 HydrophobicContact CD-CE2 4.37Å; Y91-F102 CarbonylContact O-C 3.45Å; Y91-F102 WeakPolarHBondContact O-CA 3.46Å; V92-F102 HydrophobicContact CG2-CD1 3.53Å; V92-F102 HydrophobicContact CG2-CE1 3.27Å; V92-F102 HydrophobicContact CG2-CG 4.44Å; V92-F102 HydrophobicContact CG2-CZ 4.04Å; F102-Y121 HydrophobicContact CE1-CD2 4.28Å; F102-W129 HydrophobicContact CE1-CZ3 4.46Å; F102-W129 AromaticContact CE2-CH2 3.91Å; F102-W129 HydrophobicContact CE2-CH2 3.91Å; F102-W129 HydrophobicContact CE2-CZ2 4.03Å; F102-W129 HydrophobicContact CE2-CZ3 4.44Å; F102-W129 HydrophobicContact CZ-CE3 4.3Å; F102-W129 AromaticContact CZ-CH2 3.77Å; F102-W129 HydrophobicContact CZ-CH2 3.77Å; F102-W129 HydrophobicContact CZ-CZ2 4.15Å; F102-W129 AromaticContact CZ-CZ3 3.84Å; F102-W129 HydrophobicContact CZ-CZ3 3.84Å
103	S	95.9	Very high	94.9	Very high	12 Å²	12	67.1 Å²	67.1	8%	0.084	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.6	172.6	-174.1	0	0	0	0	110.3	Y91 L105	Y91-S103 PolarHBondContact N-O 2.63Å; Y91-S103 PolarHBondContact O-N 2.98Å; S103-L105 PolarHBondContact OG-N 2.72Å; S103-L105 VanDerWaalsContact OG-N 3.1Å
104	L	95.8	Very high	94.6	Very high	93 Å²	93	71.8 Å²	71.8	49%	0.487	42%	0.416	S	S	.	.	S	Bend	trans	-87.1	-20.7	168	-70.9	170.6	0	0	0	112.2	F82 Y90	F82-L104 HydrophobicContact CB-CD1 4.46Å; F82-L104 HydrophobicContact CD1-CD1 4.05Å; F82-L104 HydrophobicContact CD1-CG 3.93Å; F82-L104 HydrophobicContact CD2-CD2 4.43Å; F82-L104 HydrophobicContact CD2-CG 4.45Å; F82-L104 HydrophobicContact CE1-CD1 4.47Å; F82-L104 HydrophobicContact CE1-CG 3.86Å; F82-L104 HydrophobicContact CE2-CD2 4.33Å; F82-L104 HydrophobicContact CE2-CG 4.4Å; F82-L104 HydrophobicContact CG-CD1 4.18Å; F82-L104 HydrophobicContact CG-CG 4.21Å; F82-L104 HydrophobicContact CZ-CD2 4.39Å; F82-L104 HydrophobicContact CZ-CG 4.07Å; Y90-L104 HydrophobicContact CD1-CD2 3.79Å; Y90-L104 HydrophobicContact CE1-CD2 3.49Å; Y90-L104 VanDerWaalsContact CE1-CD2 3.49Å
105	L	96	Very high	94.5	Very high	80 Å²	80	71.8 Å²	71.8	42%	0.419	42%	0.416	S	S	.	.	S	Bend	trans	-85.6	130.9	-178.8	-61.2	176.1	0	0	0	110	Y91 Y93 S103 W110	Y91-L105 VanDerWaalsContact CD2-C 3.43Å; Y91-L105 WeakPolarHBondContact CD2-O 3.34Å; Y93-L105 WeakPolarHBondContact CE2-O 3.45Å; Y93-L105 PolarHBondContact OH-O 2.89Å; Y93-L105 VanDerWaalsContact OH-O 3.06Å; S103-L105 PolarHBondContact OG-N 2.72Å; S103-L105 VanDerWaalsContact OG-N 3.1Å; L105-W110 HydrophobicContact CB-CB 4.15Å; L105-W110 HydrophobicContact CB-CD2 4.48Å; L105-W110 HydrophobicContact CB-CE3 4.2Å; L105-W110 HydrophobicContact CD1-CD2 4.25Å; L105-W110 HydrophobicContact CD1-CG 4.24Å
106	S	95.7	Very high	94.5	Very high	5 Å²	5	74.3 Å²	74.3	4%	0.035	43%	0.427	C	S	.	.			trans	-73.4	162.8	172.1	65.2	0	0	0	0	112.2	Y91 Y93 T108 E109 W110	Y91-S106 WeakPolarHBondContact OH-CB 3.43Å; Y93-S106 PolarHBondContact OH-O 3.17Å; S106-T108 PolarHBondContact O-N 2.77Å; S106-T108 PolarHBondContact OG-OG1 2.87Å; S106-T108 VanDerWaalsContact OG-OG1 3.05Å; S106-E109 WeakPolarHBondContact CB-OE2 3.39Å; S106-E109 PolarHBondContact N-OE2 3.32Å; S106-E109 PolarHBondContact O-N 3.44Å; S106-E109 WeakPolarHBondContact OG-CB 3.19Å; S106-E109 WeakPolarHBondContact OG-CG 3.4Å; S106-E109 PolarHBondContact OG-N 3.02Å; S106-E109 VanDerWaalsContact OG-N 3.17Å; S106-E109 PolarHBondContact OG-OE2 3.29Å; S106-W110 WeakPolarHBondContact O-CB 3.42Å; S106-W110 PolarHBondContact O-N 3.45Å
107	P	94.9	Very high	94.6	Very high	54 Å²	54	72.7 Å²	72.7	35%	0.351	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26	176.1	-24.3	34.6	0	0	0	113.6	Y93 Y117	Y93-P107 HydrophobicContact CE1-CG 4.46Å; Y93-P107 WeakPolarHBondContact OH-CA 3.5Å; Y93-P107 WeakPolarHBondContact OH-CD 3.46Å; P107-Y117 HydrophobicContact CB-CG 4.38Å; P107-Y117 HydrophobicContact CG-CD1 3.83Å; P107-Y117 HydrophobicContact CG-CD2 3.31Å; P107-Y117 HydrophobicContact CG-CE1 4.02Å; P107-Y117 HydrophobicContact CG-CE2 3.53Å; P107-Y117 HydrophobicContact CG-CG 3.44Å; P107-Y117 VanDerWaalsContact CG-CG 3.44Å
108	T	93.7	Very high	94.7	Very high	130 Å²	130	70 Å²	70	80%	0.798	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-30	178.9	49.1	0	0	0	0	112.5	S106	S106-T108 PolarHBondContact O-N 2.77Å; S106-T108 PolarHBondContact OG-OG1 2.87Å; S106-T108 VanDerWaalsContact OG-OG1 3.05Å
109	E	94.9	Very high	94.8	Very high	126 Å²	126	67.2 Å²	67.2	59%	0.589	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-27.9	174.9	-69.7	163.7	146	0	0	112.6	S106 D111	S106-E109 WeakPolarHBondContact CB-OE2 3.39Å; S106-E109 PolarHBondContact N-OE2 3.32Å; S106-E109 PolarHBondContact O-N 3.44Å; S106-E109 WeakPolarHBondContact OG-CB 3.19Å; S106-E109 WeakPolarHBondContact OG-CG 3.4Å; S106-E109 PolarHBondContact OG-N 3.02Å; S106-E109 VanDerWaalsContact OG-N 3.17Å; S106-E109 PolarHBondContact OG-OE2 3.29Å; E109-D111 PolarHBondContact O-N 2.63Å
110	W	93.7	Very high	94.9	Very high	70 Å²	70	65.4 Å²	65.4	27%	0.265	36%	0.356	S	S	.	.			trans	-91.4	78.1	-175.6	-162	-12.8	0	0	0	112.4	Y93 Y101 L105 S106 G112 C113	Y93-W110 HydrophobicContact CD2-CE3 4.47Å; Y93-W110 HydrophobicContact CD2-CZ3 4.1Å; Y93-W110 HydrophobicContact CE1-CE3 4.39Å; Y93-W110 AromaticContact CE2-CE3 3.97Å; Y93-W110 HydrophobicContact CE2-CE3 3.97Å; Y93-W110 HydrophobicContact CE2-CZ3 4.03Å; Y93-W110 HydrophobicContact CG-CZ3 4.48Å; Y93-W110 AromaticContact CZ-CE3 3.92Å; Y101-W110 HydrophobicContact CE2-CH2 4.49Å; Y101-W110 WeakPolarHBondContact OH-CH2 3.4Å; Y101-W110 WeakPolarHBondContact OH-CZ3 3.16Å; L105-W110 HydrophobicContact CB-CB 4.15Å; L105-W110 HydrophobicContact CB-CD2 4.48Å; L105-W110 HydrophobicContact CB-CE3 4.2Å; L105-W110 HydrophobicContact CD1-CD2 4.25Å; L105-W110 HydrophobicContact CD1-CG 4.24Å; S106-W110 WeakPolarHBondContact O-CB 3.42Å; S106-W110 PolarHBondContact O-N 3.45Å; W110-G112 PolarHBondContact O-N 3.4Å; W110-C113 HydrophobicContact CB-CB 4.12Å; W110-C113 HydrophobicContact CD2-CB 3.64Å; W110-C113 VanDerWaalsContact CD2-SG 3.57Å; W110-C113 HydrophobicContact CE3-CB 4.19Å; W110-C113 VanDerWaalsContact CE3-SG 3.58Å; W110-C113 HydrophobicContact CG-CB 3.58Å; W110-C113 PolarHBondContact O-N 2.87Å
111	D	89.6	Confident	95	Very high	159 Å²	159	64 Å²	64	85%	0.85	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	130	173.6	-170.3	24	0	0	0	111.5	E109 C113	E109-D111 PolarHBondContact O-N 2.63Å; D111-C113 PolarHBondContact O-N 2.89Å
112	G	89.2	Confident	95	Very high	65 Å²	65	64.8 Å²	64.8	67%	0.67	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	19.9	-179.7	0	0	0	0	0	116.1	W110 P114	W110-G112 PolarHBondContact O-N 3.4Å; G112-P114 WeakPolarHBondContact O-CD 3.39Å
113	C	90.9	Very high	95	Very high	34 Å²	34	64.6 Å²	64.6	23%	0.23	35%	0.351	C	S	.	.			trans	-56.2	121.2	174.7	-173.8	0	0	0	0	111.2	W110 D111 H115	W110-C113 HydrophobicContact CB-CB 4.12Å; W110-C113 HydrophobicContact CD2-CB 3.64Å; W110-C113 VanDerWaalsContact CD2-SG 3.57Å; W110-C113 HydrophobicContact CE3-CB 4.19Å; W110-C113 VanDerWaalsContact CE3-SG 3.58Å; W110-C113 HydrophobicContact CG-CB 3.58Å; W110-C113 PolarHBondContact O-N 2.87Å; D111-C113 PolarHBondContact O-N 2.89Å; C113-H115 PolarHBondContact O-N 3.24Å
114	P	91.9	Very high	95	Very high	100 Å²	100	64.9 Å²	64.9	65%	0.649	35%	0.352	S	S	*	.			trans	-80.3	-5.1	180	31.9	-34.1	0	0	0	113	G112	G112-P114 WeakPolarHBondContact O-CD 3.39Å
115	H	95.7	Very high	95	Very high	49 Å²	49	65.7 Å²	65.7	23%	0.227	37%	0.365	C	S	.	.	S	Bend	trans	-103.4	146.5	-171.9	-58.2	156.7	0	0	0	111.3	Y93 E94 Y101 C113 Y117	Y93-H115 HydrophobicContact CD1-CB 4.39Å; E94-H115 WeakPolarHBondContact O-CB 3.35Å; Y101-H115 AromaticContact CE1-ND1 3.43Å; Y101-H115 WeakPolarHBondContact CE1-ND1 3.47Å; Y101-H115 AromaticContact CZ-ND1 3.47Å; Y101-H115 PolarHBondContact OH-ND1 3.42Å; C113-H115 PolarHBondContact O-N 3.24Å; H115-Y117 PolarHBondContact O-N 3.28Å
116	K	96.1	Very high	94.9	Very high	131 Å²	131	67.2 Å²	67.2	57%	0.57	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	127.6	-177.6	178.4	-176.1	171.6	-165.6	0	109.9	Y93 E94 I118	Y93-K116 CarbonylContact C-O 3.6Å; Y93-K116 VanDerWaalsContact CA-O 3.28Å; Y93-K116 WeakPolarHBondContact CA-O 3.42Å; E94-K116 HydrophobicContact CB-CB 4.36Å; E94-K116 PolarHBondContact N-O 3.3Å; E94-K116 PolarHBondContact O-N 2.97Å; E94-K116 IonicContact OE1-NZ 3.07Å; K116-I118 HydrophobicContact CD-CD1 4.2Å; K116-I118 HydrophobicContact CG-CD1 4.25Å
117	Y	96.5	Very high	95	Very high	87 Å²	87	71 Å²	71	34%	0.341	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.8	171.9	175.7	-120.3	0	0	0	110.8	Y91 Y93 P107 H115 G119 A120	Y91-Y117 HydrophobicContact CD1-CE2 4.04Å; Y93-Y117 HydrophobicContact CE1-CD2 4.1Å; P107-Y117 HydrophobicContact CB-CG 4.38Å; P107-Y117 HydrophobicContact CG-CD1 3.83Å; P107-Y117 HydrophobicContact CG-CD2 3.31Å; P107-Y117 HydrophobicContact CG-CE1 4.02Å; P107-Y117 HydrophobicContact CG-CE2 3.53Å; P107-Y117 HydrophobicContact CG-CG 3.44Å; P107-Y117 VanDerWaalsContact CG-CG 3.44Å; H115-Y117 PolarHBondContact O-N 3.28Å; Y117-G119 VanDerWaalsContact CE2-C 3.4Å; Y117-G119 WeakPolarHBondContact CE2-O 3.45Å; Y117-G119 VanDerWaalsContact CZ-CA 3.47Å; Y117-G119 VanDerWaalsContact OH-C 3.28Å; Y117-A120 VanDerWaalsContact OH-CB 3.3Å; Y117-A120 WeakPolarHBondContact OH-CB 3.44Å; Y117-A120 PolarHBondContact OH-N 3.38Å
118	I	96.4	Very high	95.1	Very high	57 Å²	57	69.6 Å²	69.6	29%	0.292	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-43.3	179.6	-58.6	-58.1	0	0	0	111.5	V92 E94 K116	V92-I118 HydrophobicContact CB-CB 4.2Å; V92-I118 HydrophobicContact CG1-CB 4Å; V92-I118 HydrophobicContact CG1-CG1 4.34Å; V92-I118 HydrophobicContact CG1-CG2 4.33Å; V92-I118 PolarHBondContact O-N 3.45Å; E94-I118 HydrophobicContact CB-CD1 3.72Å; E94-I118 HydrophobicContact CB-CG1 3.76Å; K116-I118 HydrophobicContact CD-CD1 4.2Å; K116-I118 HydrophobicContact CG-CD1 4.25Å
119	G	96.7	Very high	95.3	Very high	12 Å²	12	63.5 Å²	63.5	12%	0.124	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	166.9	179.7	0	0	0	0	0	113.4	V92 Y117	V92-G119 PolarHBondContact N-O 3.5Å; Y117-G119 VanDerWaalsContact CE2-C 3.4Å; Y117-G119 WeakPolarHBondContact CE2-O 3.45Å; Y117-G119 VanDerWaalsContact CZ-CA 3.47Å; Y117-G119 VanDerWaalsContact OH-C 3.28Å
120	A	97.8	Very high	95.4	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.025	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.8	176.6	0	0	0	0	0	110.1	V89 Y90 Y91 Y117 S131 E132	V89-A120 HydrophobicContact CG1-CB 4.05Å; Y90-A120 CarbonylContact O-C 3.54Å; Y90-A120 WeakPolarHBondContact O-CA 3.43Å; Y91-A120 HydrophobicContact CD1-CB 3.58Å; Y91-A120 HydrophobicContact CE1-CB 3.63Å; Y117-A120 VanDerWaalsContact OH-CB 3.3Å; Y117-A120 WeakPolarHBondContact OH-CB 3.44Å; Y117-A120 PolarHBondContact OH-N 3.38Å; A120-S131 CarbonylContact O-C 3.59Å; A120-S131 WeakPolarHBondContact O-CA 3.36Å; A120-E132 HydrophobicContact CB-CB 3.78Å; A120-E132 HydrophobicContact CB-CG 4.43Å; A120-E132 WeakPolarHBondContact CB-OE2 3.14Å; A120-E132 PolarHBondContact O-N 3.17Å
121	Y	98.2	Very high	95.5	Very high	44 Å²	44	55.7 Å²	55.7	17%	0.173	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	129.2	-176.3	-58.1	-92.5	0	0	0	111	L75 V89 Y90 V92 F102 I130	L75-Y121 HydrophobicContact CD1-CD1 3.62Å; L75-Y121 HydrophobicContact CD1-CE1 3.93Å; L75-Y121 HydrophobicContact CD1-CG 3.94Å; L75-Y121 HydrophobicContact CD2-CD2 4.1Å; L75-Y121 HydrophobicContact CD2-CE1 4.45Å; L75-Y121 HydrophobicContact CD2-CE2 4.05Å; L75-Y121 HydrophobicContact CD2-CG 4.33Å; V89-Y121 CarbonylContact C-O 3.59Å; V89-Y121 WeakPolarHBondContact CA-O 3.29Å; Y90-Y121 PolarHBondContact N-O 3.26Å; Y90-Y121 PolarHBondContact O-N 2.75Å; V92-Y121 HydrophobicContact CB-CE2 4.22Å; V92-Y121 HydrophobicContact CG2-CD2 3.69Å; V92-Y121 HydrophobicContact CG2-CE2 3.6Å; F102-Y121 HydrophobicContact CE1-CD2 4.28Å; Y121-I130 CarbonylContact C-O 3.57Å; Y121-I130 WeakPolarHBondContact CA-O 3.37Å
122	K	97.7	Very high	95.7	Very high	46 Å²	46	52.6 Å²	52.6	20%	0.2	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.8	171.8	-170.1	178.5	-175.6	170.1	0	109.5	N88 V89 L124 I130 L135 E139	N88-K122 WeakPolarHBondContact O-CA 3.3Å; V89-K122 HydrophobicContact CG2-CB 4.13Å; V89-K122 HydrophobicContact CG2-CG 4.24Å; K122-L124 HydrophobicContact CD-CD2 4.49Å; K122-I130 HydrophobicContact CB-CG2 3.8Å; K122-I130 PolarHBondContact N-O 3.06Å; K122-I130 PolarHBondContact O-N 3.37Å; K122-L135 HydrophobicContact CB-CD1 4.41Å; K122-L135 HydrophobicContact CD-CD1 3.49Å; K122-L135 VanDerWaalsContact CD-CD1 3.49Å; K122-L135 HydrophobicContact CD-CD2 3.87Å; K122-L135 HydrophobicContact CD-CG 4.36Å; K122-E139 IonicContact NZ-OE1 3.92Å; K122-E139 PolarHBondContact NZ-OE1 2.83Å
123	L	97.9	Very high	96	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.2	172.2	-177	55	0	0	0	109.2	K84 P86 G87 N88 Y90 M127 W129	K84-L123 HydrophobicContact CB-CD2 3.84Å; P86-L123 CarbonylContact C-O 3.53Å; P86-L123 WeakPolarHBondContact CA-O 3.49Å; G87-L123 PolarHBondContact N-O 2.99Å; N88-L123 PolarHBondContact O-N 3.07Å; Y90-L123 HydrophobicContact CD2-CB 4.44Å; Y90-L123 HydrophobicContact CE2-CB 4.13Å; L123-M127 HydrophobicContact CD1-CB 4.5Å; L123-M127 HydrophobicContact CD1-SD 4.38Å; L123-M127 HydrophobicContact CD2-CE 4.34Å; L123-M127 HydrophobicContact CD2-SD 4.18Å; L123-M127 HydrophobicContact CG-SD 4.47Å; L123-W129 HydrophobicContact CB-CE3 4.05Å; L123-W129 HydrophobicContact CB-CH2 3.85Å; L123-W129 HydrophobicContact CB-CZ2 4.42Å; L123-W129 HydrophobicContact CB-CZ3 3.65Å; L123-W129 HydrophobicContact CD1-CD2 4.04Å; L123-W129 HydrophobicContact CD1-CE3 4.29Å; L123-W129 HydrophobicContact CD1-CH2 4.08Å; L123-W129 HydrophobicContact CD1-CZ2 3.76Å; L123-W129 HydrophobicContact CD1-CZ3 4.34Å; L123-W129 HydrophobicContact CD2-CH2 4.12Å; L123-W129 HydrophobicContact CD2-CZ2 4.25Å; L123-W129 HydrophobicContact CG-CH2 4.24Å; L123-W129 HydrophobicContact CG-CZ2 4.37Å; L123-W129 HydrophobicContact CG-CZ3 4.45Å
124	L	96.7	Very high	96.2	Very high	17 Å²	17	58.9 Å²	58.9	9%	0.089	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-83.3	169.9	179.1	-57.3	-177.8	0	0	0	111.7	K122 D126 M127 S128 I130 Y138	K122-L124 HydrophobicContact CD-CD2 4.49Å; L124-D126 VanDerWaalsContact C-N 3.27Å; L124-D126 WeakPolarHBondContact CB-OD1 3.43Å; L124-D126 PolarHBondContact O-N 3.4Å; L124-M127 PolarHBondContact O-N 2.81Å; L124-M127 VanDerWaalsContact O-N 3.07Å; L124-S128 WeakPolarHBondContact CB-O 3.47Å; L124-S128 VanDerWaalsContact CD1-OG 3.29Å; L124-S128 WeakPolarHBondContact CD1-OG 3.5Å; L124-S128 PolarHBondContact N-O 2.99Å; L124-I130 HydrophobicContact CD1-CB 4.45Å; L124-I130 HydrophobicContact CD1-CG2 4.37Å; L124-I130 HydrophobicContact CD2-CG2 3.89Å; L124-I130 HydrophobicContact CG-CG2 4.21Å; L124-Y138 HydrophobicContact CD1-CE1 4.14Å; L124-Y138 HydrophobicContact CD1-CE2 4.05Å; L124-Y138 HydrophobicContact CD2-CE1 4.11Å
125	S	94.5	Very high	96.3	Very high	111 Å²	111	55.3 Å²	55.3	78%	0.776	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-28	-177.7	52.9	0	0	0	0	113.9	M127	S125-M127 PolarHBondContact O-N 3.24Å
126	D	95	Very high	96.1	Very high	111 Å²	111	58.9 Å²	58.9	59%	0.594	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	9.8	175.3	66.6	-8.8	0	0	0	112.7	L124 S128	L124-D126 VanDerWaalsContact C-N 3.27Å; L124-D126 WeakPolarHBondContact CB-OD1 3.43Å; L124-D126 PolarHBondContact O-N 3.4Å; D126-S128 PolarHBondContact O-N 3.32Å; D126-S128 VanDerWaalsContact OD1-CB 3.3Å; D126-S128 WeakPolarHBondContact OD1-CB 3.45Å; D126-S128 PolarHBondContact OD1-N 3.26Å; D126-S128 PolarHBondContact OD1-OG 2.76Å; D126-S128 PolarHBondContact OD2-OG 3.45Å
127	M	96.4	Very high	96.1	Very high	86 Å²	86	57.2 Å²	57.2	42%	0.424	30%	0.304	S	S	.	.	S	Bend	trans	65.6	13.3	-176.3	-56.4	-70	-74.5	0	0	114.5	H76 P86 L123 L124 S125	H76-M127 PolarHBondContact CE1-O 3.33Å; H76-M127 PolarHBondContact NE2-O 3.3Å; P86-M127 HydrophobicContact CG-SD 3.87Å; L123-M127 HydrophobicContact CD1-CB 4.5Å; L123-M127 HydrophobicContact CD1-SD 4.38Å; L123-M127 HydrophobicContact CD2-CE 4.34Å; L123-M127 HydrophobicContact CD2-SD 4.18Å; L123-M127 HydrophobicContact CG-SD 4.47Å; L124-M127 PolarHBondContact O-N 2.81Å; L124-M127 VanDerWaalsContact O-N 3.07Å; S125-M127 PolarHBondContact O-N 3.24Å
128	S	97.1	Very high	95.9	Very high	23 Å²	23	56.9 Å²	56.9	16%	0.161	30%	0.303	C	S	.	.			trans	-78.3	160.9	166.9	69.9	0	0	0	0	111.1	D72 L124 D126	D72-S128 WeakPolarHBondContact OD2-CA 3.42Å; D72-S128 WeakPolarHBondContact OD2-CB 3.49Å; L124-S128 WeakPolarHBondContact CB-O 3.47Å; L124-S128 VanDerWaalsContact CD1-OG 3.29Å; L124-S128 WeakPolarHBondContact CD1-OG 3.5Å; L124-S128 PolarHBondContact N-O 2.99Å; D126-S128 PolarHBondContact O-N 3.32Å; D126-S128 VanDerWaalsContact OD1-CB 3.3Å; D126-S128 WeakPolarHBondContact OD1-CB 3.45Å; D126-S128 PolarHBondContact OD1-N 3.26Å; D126-S128 PolarHBondContact OD1-OG 2.76Å; D126-S128 PolarHBondContact OD2-OG 3.45Å
129	W	97.9	Very high	95.7	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.011	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	153.6	177.3	-64.5	89.2	0	0	0	111.1	R71 D72 L75 H76 K84 Y90 F102 L123	R71-W129 PolarHBondContact NH1-O 2.9Å; R71-W129 PolarHBondContact NH2-O 3.39Å; D72-W129 WeakPolarHBondContact OD1-CB 3.5Å; D72-W129 PolarHBondContact OD1-N 2.93Å; L75-W129 HydrophobicContact CB-CD2 4.12Å; L75-W129 HydrophobicContact CB-CG 4.02Å; L75-W129 HydrophobicContact CD1-CB 3.5Å; L75-W129 VanDerWaalsContact CD1-CB 3.5Å; L75-W129 HydrophobicContact CD1-CD2 3.97Å; L75-W129 HydrophobicContact CD1-CG 3.48Å; L75-W129 VanDerWaalsContact CD1-CG 3.48Å; L75-W129 HydrophobicContact CG-CG 4.41Å; H76-W129 AromaticContact CD2-NE1 3.53Å; H76-W129 AromaticContact CE1-CE2 3.88Å; H76-W129 AromaticContact CE1-CZ2 3.98Å; H76-W129 AromaticContact CE1-NE1 3.28Å; H76-W129 PolarHBondContact CE1-NE1 2.93Å; H76-W129 VanDerWaalsContact CE1-NE1 3.28Å; H76-W129 AromaticContact CG-NE1 3.69Å; H76-W129 AromaticContact ND1-CZ2 3.98Å; H76-W129 AromaticContact ND1-NE1 3.56Å; H76-W129 AromaticContact NE2-CD1 3.89Å; H76-W129 AromaticContact NE2-NE1 3.26Å; H76-W129 PolarHBondContact NE2-NE1 3.49Å; K84-W129 HydrophobicContact CD-CH2 3.9Å; K84-W129 HydrophobicContact CD-CZ2 3.72Å; Y90-W129 AromaticContact CD2-CH2 3.79Å; Y90-W129 HydrophobicContact CD2-CH2 3.79Å; Y90-W129 AromaticContact CD2-CZ3 3.63Å; Y90-W129 HydrophobicContact CD2-CZ3 3.63Å; Y90-W129 HydrophobicContact CE2-CH2 4.28Å; Y90-W129 HydrophobicContact CE2-CZ3 4.39Å; Y90-W129 HydrophobicContact CG-CH2 4.39Å; Y90-W129 HydrophobicContact CG-CZ3 4.31Å; F102-W129 HydrophobicContact CE1-CZ3 4.46Å; F102-W129 AromaticContact CE2-CH2 3.91Å; F102-W129 HydrophobicContact CE2-CH2 3.91Å; F102-W129 HydrophobicContact CE2-CZ2 4.03Å; F102-W129 HydrophobicContact CE2-CZ3 4.44Å; F102-W129 HydrophobicContact CZ-CE3 4.3Å; F102-W129 AromaticContact CZ-CH2 3.77Å; F102-W129 HydrophobicContact CZ-CH2 3.77Å; F102-W129 HydrophobicContact CZ-CZ2 4.15Å; F102-W129 AromaticContact CZ-CZ3 3.84Å; F102-W129 HydrophobicContact CZ-CZ3 3.84Å; L123-W129 HydrophobicContact CB-CE3 4.05Å; L123-W129 HydrophobicContact CB-CH2 3.85Å; L123-W129 HydrophobicContact CB-CZ2 4.42Å; L123-W129 HydrophobicContact CB-CZ3 3.65Å; L123-W129 HydrophobicContact CD1-CD2 4.04Å; L123-W129 HydrophobicContact CD1-CE3 4.29Å; L123-W129 HydrophobicContact CD1-CH2 4.08Å; L123-W129 HydrophobicContact CD1-CZ2 3.76Å; L123-W129 HydrophobicContact CD1-CZ3 4.34Å; L123-W129 HydrophobicContact CD2-CH2 4.12Å; L123-W129 HydrophobicContact CD2-CZ2 4.25Å; L123-W129 HydrophobicContact CG-CH2 4.24Å; L123-W129 HydrophobicContact CG-CZ2 4.37Å; L123-W129 HydrophobicContact CG-CZ3 4.45Å
130	I	97	Very high	95.6	Very high	13 Å²	13	60.9 Å²	60.9	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.9	165.4	-170.4	162.3	0	0	0	109.2	Y121 K122 L124 D134 L135 Y138	Y121-I130 CarbonylContact C-O 3.57Å; Y121-I130 WeakPolarHBondContact CA-O 3.37Å; K122-I130 HydrophobicContact CB-CG2 3.8Å; K122-I130 PolarHBondContact N-O 3.06Å; K122-I130 PolarHBondContact O-N 3.37Å; L124-I130 HydrophobicContact CD1-CB 4.45Å; L124-I130 HydrophobicContact CD1-CG2 4.37Å; L124-I130 HydrophobicContact CD2-CG2 3.89Å; L124-I130 HydrophobicContact CG-CG2 4.21Å; I130-D134 HydrophobicContact CD1-CB 4.12Å; I130-D134 HydrophobicContact CG1-CB 3.87Å; I130-L135 HydrophobicContact CG2-CD1 3.74Å; I130-Y138 HydrophobicContact CD1-CD1 4.07Å; I130-Y138 HydrophobicContact CD1-CD2 3.92Å; I130-Y138 HydrophobicContact CD1-CG 3.44Å; I130-Y138 VanDerWaalsContact CD1-CG 3.44Å
131	S	96.9	Very high	95.3	Very high	18 Å²	18	65 Å²	65	13%	0.126	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	150	172.5	37.3	0	0	0	0	109.7	A120 D133 D134 L135	A120-S131 CarbonylContact O-C 3.59Å; A120-S131 WeakPolarHBondContact O-CA 3.36Å; S131-D133 PolarHBondContact O-N 3.15Å; S131-D134 PolarHBondContact O-N 3.25Å; S131-D134 VanDerWaalsContact O-N 3.12Å; S131-D134 WeakPolarHBondContact OG-CB 3.48Å; S131-D134 PolarHBondContact OG-OD2 3.41Å; S131-L135 PolarHBondContact O-N 3.48Å; S131-L135 VanDerWaalsContact O-N 3.15Å
132	E	93.9	Very high	95	Very high	94 Å²	94	66.6 Å²	66.6	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-54.8	-40.6	172.7	-178.8	171	-119.2	0	0	111.7	A120 D134 L135	A120-E132 HydrophobicContact CB-CB 3.78Å; A120-E132 HydrophobicContact CB-CG 4.43Å; A120-E132 WeakPolarHBondContact CB-OE2 3.14Å; A120-E132 PolarHBondContact O-N 3.17Å; E132-D134 VanDerWaalsContact C-N 3.26Å; E132-D134 PolarHBondContact O-N 3.12Å; E132-L135 WeakPolarHBondContact O-CB 3.46Å; E132-L135 PolarHBondContact O-N 2.81Å
133	D	94.2	Very high	94.7	Very high	151 Å²	151	67.9 Å²	67.9	81%	0.807	37%	0.37	S	S	*	.	H	α-helix	trans	-60.6	-31.5	177.8	-61.9	-34.3	0	0	0	113.7	S131	S131-D133 PolarHBondContact O-N 3.15Å
134	D	95	Very high	94.5	Very high	81 Å²	81	70 Å²	70	43%	0.433	39%	0.387	S	S	.	.	H	α-helix	trans	-95.4	-7	-178.6	-71.2	-41.3	0	0	0	112.9	I130 S131 E132 N137 Y138	I130-D134 HydrophobicContact CD1-CB 4.12Å; I130-D134 HydrophobicContact CG1-CB 3.87Å; S131-D134 PolarHBondContact O-N 3.25Å; S131-D134 VanDerWaalsContact O-N 3.12Å; S131-D134 WeakPolarHBondContact OG-CB 3.48Å; S131-D134 PolarHBondContact OG-OD2 3.41Å; E132-D134 VanDerWaalsContact C-N 3.26Å; E132-D134 PolarHBondContact O-N 3.12Å; D134-N137 PolarHBondContact O-N 3.02Å; D134-Y138 PolarHBondContact O-N 3.49Å
135	L	93.8	Very high	94.2	Very high	25 Å²	25	71.2 Å²	71.2	13%	0.131	40%	0.4	C	S	.	.	H	α-helix	trans	-63.9	-47.1	-169.8	-177.6	60.6	0	0	0	112.4	K122 I130 S131 E132 N137 Y138 E139	K122-L135 HydrophobicContact CB-CD1 4.41Å; K122-L135 HydrophobicContact CD-CD1 3.49Å; K122-L135 VanDerWaalsContact CD-CD1 3.49Å; K122-L135 HydrophobicContact CD-CD2 3.87Å; K122-L135 HydrophobicContact CD-CG 4.36Å; I130-L135 HydrophobicContact CG2-CD1 3.74Å; S131-L135 PolarHBondContact O-N 3.48Å; S131-L135 VanDerWaalsContact O-N 3.15Å; E132-L135 WeakPolarHBondContact O-CB 3.46Å; E132-L135 PolarHBondContact O-N 2.81Å; L135-N137 VanDerWaalsContact C-N 3.3Å; L135-N137 PolarHBondContact O-N 2.87Å; L135-Y138 WeakPolarHBondContact O-CB 3.32Å; L135-Y138 PolarHBondContact O-N 2.79Å; L135-Y138 VanDerWaalsContact O-N 3.17Å; L135-E139 HydrophobicContact CD1-CG 4.1Å; L135-E139 HydrophobicContact CG-CG 4.44Å; L135-E139 WeakPolarHBondContact O-CG 3.48Å; L135-E139 PolarHBondContact O-N 2.99Å
136	D	93.4	Very high	93.9	Very high	123 Å²	123	70.4 Å²	70.4	66%	0.658	39%	0.387	S	S	*	.	H	α-helix	trans	-60.8	-41.5	-179.2	-72.6	-15.6	0	0	0	111.9	S140	D136-S140 VanDerWaalsContact O-CB 3.29Å; D136-S140 WeakPolarHBondContact O-CB 3.42Å; D136-S140 PolarHBondContact O-N 2.88Å; D136-S140 PolarHBondContact O-OG 3.27Å
137	N	94.3	Very high	93.8	Very high	96 Å²	96	70.3 Å²	70.3	51%	0.513	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-43.2	177.5	178	51.6	0	0	0	110.7	D134 L135 S140 N141	D134-N137 PolarHBondContact O-N 3.02Å; L135-N137 VanDerWaalsContact C-N 3.3Å; L135-N137 PolarHBondContact O-N 2.87Å; N137-S140 PolarHBondContact O-N 3.44Å; N137-N141 PolarHBondContact ND2-ND2 3.13Å; N137-N141 WeakPolarHBondContact O-CB 3.45Å; N137-N141 PolarHBondContact O-N 3.44Å; N137-N141 PolarHBondContact O-ND2 3.39Å; N137-N141 PolarHBondContact OD1-ND2 2.95Å; N137-N141 VanDerWaalsContact OD1-ND2 3.11Å
138	Y	93.1	Very high	93.5	Very high	80 Å²	80	71 Å²	71	31%	0.314	39%	0.387	S	S	.	.	H	α-helix	trans	-62.4	-46.6	176	170.8	-92.4	0	0	0	112.7	L124 I130 D134 L135 S140 N141 L142	L124-Y138 HydrophobicContact CD1-CE1 4.14Å; L124-Y138 HydrophobicContact CD1-CE2 4.05Å; L124-Y138 HydrophobicContact CD2-CE1 4.11Å; I130-Y138 HydrophobicContact CD1-CD1 4.07Å; I130-Y138 HydrophobicContact CD1-CD2 3.92Å; I130-Y138 HydrophobicContact CD1-CG 3.44Å; I130-Y138 VanDerWaalsContact CD1-CG 3.44Å; D134-Y138 PolarHBondContact O-N 3.49Å; L135-Y138 WeakPolarHBondContact O-CB 3.32Å; L135-Y138 PolarHBondContact O-N 2.79Å; L135-Y138 VanDerWaalsContact O-N 3.17Å; Y138-S140 VanDerWaalsContact C-N 3.31Å; Y138-S140 PolarHBondContact O-N 3.08Å; Y138-N141 PolarHBondContact O-N 2.89Å; Y138-L142 HydrophobicContact CE1-CD2 4.11Å; Y138-L142 VanDerWaalsContact O-CB 3.31Å; Y138-L142 WeakPolarHBondContact O-CB 3.25Å; Y138-L142 PolarHBondContact O-N 2.94Å
139	E	91.9	Very high	92.9	Very high	76 Å²	76	75.2 Å²	75.2	36%	0.355	41%	0.405	S	S	.	.	H	α-helix	trans	-65.5	-37.2	179.9	-69.2	-172.8	171.9	0	0	111.5	K122 L135 L142 T143	K122-E139 IonicContact NZ-OE1 3.92Å; K122-E139 PolarHBondContact NZ-OE1 2.83Å; L135-E139 HydrophobicContact CD1-CG 4.1Å; L135-E139 HydrophobicContact CG-CG 4.44Å; L135-E139 WeakPolarHBondContact O-CG 3.48Å; L135-E139 PolarHBondContact O-N 2.99Å; E139-L142 PolarHBondContact O-N 3.22Å; E139-T143 WeakPolarHBondContact O-CB 3.49Å; E139-T143 PolarHBondContact O-N 3.32Å; E139-T143 PolarHBondContact O-OG1 3.08Å
140	S	93.9	Very high	92.5	Very high	77 Å²	77	80 Å²	80	54%	0.538	43%	0.431	S	S	.	.	H	α-helix	trans	-62.3	-47.3	172.4	-61.9	0	0	0	0	111.9	D136 N137 Y138 T143 A144	D136-S140 VanDerWaalsContact O-CB 3.29Å; D136-S140 WeakPolarHBondContact O-CB 3.42Å; D136-S140 PolarHBondContact O-N 2.88Å; D136-S140 PolarHBondContact O-OG 3.27Å; N137-S140 PolarHBondContact O-N 3.44Å; Y138-S140 VanDerWaalsContact C-N 3.31Å; Y138-S140 PolarHBondContact O-N 3.08Å; S140-T143 PolarHBondContact O-N 3.44Å; S140-A144 PolarHBondContact O-N 3.1Å
141	N	93	Very high	91.9	Very high	91 Å²	91	85.7 Å²	85.7	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-65.2	-40.4	178.7	-72.1	-35.3	0	0	0	111.9	N137 Y138 A144 A145	N137-N141 PolarHBondContact ND2-ND2 3.13Å; N137-N141 WeakPolarHBondContact O-CB 3.45Å; N137-N141 PolarHBondContact O-N 3.44Å; N137-N141 PolarHBondContact O-ND2 3.39Å; N137-N141 PolarHBondContact OD1-ND2 2.95Å; N137-N141 VanDerWaalsContact OD1-ND2 3.11Å; Y138-N141 PolarHBondContact O-N 2.89Å; N141-A144 PolarHBondContact O-N 3.25Å; N141-A145 WeakPolarHBondContact O-CB 3.37Å; N141-A145 PolarHBondContact O-N 3.33Å
142	L	90.5	Very high	91	Very high	77 Å²	77	89.3 Å²	89.3	40%	0.403	47%	0.473	S	S	.	.	H	α-helix	trans	-63.3	-43.6	176.1	-175.5	63.4	0	0	0	111	Y138 E139 A145 L146	Y138-L142 HydrophobicContact CE1-CD2 4.11Å; Y138-L142 VanDerWaalsContact O-CB 3.31Å; Y138-L142 WeakPolarHBondContact O-CB 3.25Å; Y138-L142 PolarHBondContact O-N 2.94Å; E139-L142 PolarHBondContact O-N 3.22Å; L142-A145 PolarHBondContact O-N 2.83Å; L142-L146 HydrophobicContact CG-CD1 4.21Å; L142-L146 WeakPolarHBondContact O-CG 3.35Å; L142-L146 PolarHBondContact O-N 3.01Å
143	T	93.1	Very high	90.3	Very high	73 Å²	73	89.7 Å²	89.7	45%	0.448	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-46.2	176.6	-59.5	0	0	0	0	111.4	E139 S140 A145 L146 Q147	E139-T143 WeakPolarHBondContact O-CB 3.49Å; E139-T143 PolarHBondContact O-N 3.32Å; E139-T143 PolarHBondContact O-OG1 3.08Å; S140-T143 PolarHBondContact O-N 3.44Å; T143-A145 VanDerWaalsContact C-N 3.33Å; T143-A145 PolarHBondContact O-N 2.88Å; T143-L146 PolarHBondContact O-N 2.92Å; T143-Q147 WeakPolarHBondContact O-CG 3.33Å; T143-Q147 PolarHBondContact O-N 3.49Å
144	A	92.7	Very high	89.4	Confident	43 Å²	43	87 Å²	87	36%	0.355	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-41.8	176.5	0	0	0	0	0	111.9	S140 N141 Q147 I148	S140-A144 PolarHBondContact O-N 3.1Å; N141-A144 PolarHBondContact O-N 3.25Å; A144-Q147 PolarHBondContact O-N 3.18Å; A144-I148 WeakPolarHBondContact O-CG1 3.28Å; A144-I148 PolarHBondContact O-N 2.95Å; A144-I148 VanDerWaalsContact O-N 3.08Å
145	A	89.9	Confident	87.9	Confident	43 Å²	43	88.9 Å²	88.9	36%	0.355	47%	0.467	S	S	.	.	H	α-helix	trans	-62.3	-45.1	176.2	0	0	0	0	0	111.9	N141 L142 T143 Q147 I148 M149	N141-A145 WeakPolarHBondContact O-CB 3.37Å; N141-A145 PolarHBondContact O-N 3.33Å; L142-A145 PolarHBondContact O-N 2.83Å; T143-A145 VanDerWaalsContact C-N 3.33Å; T143-A145 PolarHBondContact O-N 2.88Å; A145-Q147 VanDerWaalsContact C-N 3.34Å; A145-Q147 PolarHBondContact O-N 2.74Å; A145-I148 PolarHBondContact O-N 3.17Å; A145-M149 WeakPolarHBondContact O-CG 3.37Å; A145-M149 PolarHBondContact O-N 3.1Å
146	L	89.5	Confident	86.7	Confident	95 Å²	95	91.9 Å²	91.9	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-60.8	-41.5	176.5	-71.3	165.3	0	0	0	112	L142 T143 I148 M149 D150	L142-L146 HydrophobicContact CG-CD1 4.21Å; L142-L146 WeakPolarHBondContact O-CG 3.35Å; L142-L146 PolarHBondContact O-N 3.01Å; T143-L146 PolarHBondContact O-N 2.92Å; L146-I148 VanDerWaalsContact C-N 3.34Å; L146-I148 PolarHBondContact O-N 3.06Å; L146-M149 HydrophobicContact CB-CE 4.45Å; L146-M149 HydrophobicContact CD2-CE 3.52Å; L146-M149 HydrophobicContact CG-CE 4.11Å; L146-M149 PolarHBondContact O-N 3.24Å; L146-D150 PolarHBondContact O-N 2.8Å
147	Q	91.8	Very high	85.8	Confident	108 Å²	108	89.9 Å²	89.9	51%	0.505	47%	0.472	S	S	.	.	H	α-helix	trans	-63.9	-37	176.3	-71.5	174.3	3.2	0	0	113.1	T143 A144 A145 K151	T143-Q147 WeakPolarHBondContact O-CG 3.33Å; T143-Q147 PolarHBondContact O-N 3.49Å; A144-Q147 PolarHBondContact O-N 3.18Å; A145-Q147 VanDerWaalsContact C-N 3.34Å; A145-Q147 PolarHBondContact O-N 2.74Å; Q147-K151 WeakPolarHBondContact O-CB 3.43Å; Q147-K151 VanDerWaalsContact O-CG 3.27Å; Q147-K151 WeakPolarHBondContact O-CG 3.4Å; Q147-K151 PolarHBondContact O-N 3Å; Q147-K151 VanDerWaalsContact O-N 3.17Å
148	I	90.7	Very high	84.5	Confident	101 Å²	101	89.1 Å²	89.1	52%	0.518	47%	0.471	S	S	.	.	H	α-helix	trans	-67.3	-41.7	175.8	-68	165	0	0	0	110.1	A144 A145 L146 N152	A144-I148 WeakPolarHBondContact O-CG1 3.28Å; A144-I148 PolarHBondContact O-N 2.95Å; A144-I148 VanDerWaalsContact O-N 3.08Å; A145-I148 PolarHBondContact O-N 3.17Å; L146-I148 VanDerWaalsContact C-N 3.34Å; L146-I148 PolarHBondContact O-N 3.06Å; I148-N152 WeakPolarHBondContact O-CB 3.47Å; I148-N152 VanDerWaalsContact O-CG 3.25Å; I148-N152 PolarHBondContact O-N 3.03Å
149	M	85	Confident	83.3	Confident	111 Å²	111	92.3 Å²	92.3	55%	0.547	49%	0.487	S	S	.	.	H	α-helix	trans	-64.9	-44.1	178.5	-70	-174.2	-63.7	0	0	112.2	A145 L146 N152 Q153	A145-M149 WeakPolarHBondContact O-CG 3.37Å; A145-M149 PolarHBondContact O-N 3.1Å; L146-M149 HydrophobicContact CB-CE 4.45Å; L146-M149 HydrophobicContact CD2-CE 3.52Å; L146-M149 HydrophobicContact CG-CE 4.11Å; L146-M149 PolarHBondContact O-N 3.24Å; M149-N152 PolarHBondContact O-N 3Å; M149-Q153 PolarHBondContact O-N 3.25Å
150	D	89.6	Confident	82	Confident	103 Å²	103	96.3 Å²	96.3	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-61.5	-45.9	177.6	-173.8	52.5	0	0	0	111.9	L146 N152 Q153 I154	L146-D150 PolarHBondContact O-N 2.8Å; D150-N152 VanDerWaalsContact C-N 3.3Å; D150-N152 PolarHBondContact O-N 2.77Å; D150-Q153 WeakPolarHBondContact O-CB 3.15Å; D150-Q153 PolarHBondContact O-N 2.92Å; D150-I154 WeakPolarHBondContact O-CG1 3.22Å; D150-I154 PolarHBondContact O-N 2.95Å
151	K	83.7	Confident	80.4	Confident	133 Å²	133	100.7 Å²	100.7	58%	0.578	52%	0.519	S	S	*	.	H	α-helix	trans	-59.7	-39.6	174.3	-73.8	173.5	-177.4	176.6	0	112.8	Q147 I154 M155	Q147-K151 WeakPolarHBondContact O-CB 3.43Å; Q147-K151 VanDerWaalsContact O-CG 3.27Å; Q147-K151 WeakPolarHBondContact O-CG 3.4Å; Q147-K151 PolarHBondContact O-N 3Å; Q147-K151 VanDerWaalsContact O-N 3.17Å; K151-I154 PolarHBondContact O-N 3.2Å; K151-M155 WeakPolarHBondContact O-CG 3.16Å; K151-M155 PolarHBondContact O-N 3.21Å; K151-M155 VanDerWaalsContact O-N 3.07Å
152	N	78.2	Confident	78.7	Confident	95 Å²	95	104.4 Å²	104.4	51%	0.508	55%	0.545	S	S	.	.	H	α-helix	trans	-68.5	-36.5	178.2	-75.7	-9.8	0	0	0	111.7	I148 M149 D150 M155 L156	I148-N152 WeakPolarHBondContact O-CB 3.47Å; I148-N152 VanDerWaalsContact O-CG 3.25Å; I148-N152 PolarHBondContact O-N 3.03Å; M149-N152 PolarHBondContact O-N 3Å; D150-N152 VanDerWaalsContact C-N 3.3Å; D150-N152 PolarHBondContact O-N 2.77Å; N152-M155 PolarHBondContact O-N 3.42Å; N152-L156 WeakPolarHBondContact O-CG 3.46Å; N152-L156 PolarHBondContact O-N 3.46Å
153	Q	78.8	Confident	78.1	Confident	101 Å²	101	105.8 Å²	105.8	47%	0.472	55%	0.552	S	S	.	*	H	α-helix	trans	-62.9	-47.1	175.1	-169.8	59.4	50.6	0	0	110.9	M149 D150 M155 L156 D157	M149-Q153 PolarHBondContact O-N 3.25Å; D150-Q153 WeakPolarHBondContact O-CB 3.15Å; D150-Q153 PolarHBondContact O-N 2.92Å; Q153-M155 VanDerWaalsContact C-N 3.3Å; Q153-M155 PolarHBondContact O-N 3.05Å; Q153-L156 PolarHBondContact O-N 3.21Å; Q153-L156 VanDerWaalsContact O-N 3.15Å; Q153-D157 PolarHBondContact NE2-OD1 2.93Å; Q153-D157 VanDerWaalsContact NE2-OD1 3.11Å; Q153-D157 VanDerWaalsContact O-CG 3.25Å; Q153-D157 PolarHBondContact O-N 2.61Å
154	I	76.4	Confident	77.3	Confident	94 Å²	94	107.5 Å²	107.5	48%	0.482	56%	0.558	S	S	.	*	H	α-helix	trans	-57.8	-42.7	175.7	-65	166.8	0	0	0	111.3	D150 K151 D157 V158	D150-I154 WeakPolarHBondContact O-CG1 3.22Å; D150-I154 PolarHBondContact O-N 2.95Å; K151-I154 PolarHBondContact O-N 3.2Å; I154-D157 PolarHBondContact O-N 3.28Å; I154-V158 WeakPolarHBondContact O-CG2 3.45Å; I154-V158 PolarHBondContact O-N 3.2Å
155	M	62.9	Low	76.5	Confident	121 Å²	121	111.1 Å²	111.1	60%	0.596	57%	0.569	S	S	*	*	H	α-helix	trans	-65.7	-36.6	178.1	-79.2	-79.1	-76.4	0	0	113.4	K151 N152 Q153 K159	K151-M155 WeakPolarHBondContact O-CG 3.16Å; K151-M155 PolarHBondContact O-N 3.21Å; K151-M155 VanDerWaalsContact O-N 3.07Å; N152-M155 PolarHBondContact O-N 3.42Å; Q153-M155 VanDerWaalsContact C-N 3.3Å; Q153-M155 PolarHBondContact O-N 3.05Å; M155-K159 PolarHBondContact O-N 3.37Å; M155-K159 VanDerWaalsContact O-N 3.16Å
156	L	67.9	Low	75.7	Confident	88 Å²	88	115.1 Å²	115.1	46%	0.461	58%	0.582	S	S	.	*	H	α-helix	trans	-66.5	-43.9	174.7	-74	169.9	0	0	0	110.8	N152 Q153 V158 K159 H160	N152-L156 WeakPolarHBondContact O-CG 3.46Å; N152-L156 PolarHBondContact O-N 3.46Å; Q153-L156 PolarHBondContact O-N 3.21Å; Q153-L156 VanDerWaalsContact O-N 3.15Å; L156-V158 VanDerWaalsContact C-N 3.34Å; L156-V158 PolarHBondContact O-N 2.83Å; L156-K159 PolarHBondContact O-N 2.77Å; L156-H160 PolarHBondContact O-CD2 2.86Å; L156-H160 PolarHBondContact O-N 3.43Å
157	D	75.8	Confident	74.8	Confident	81 Å²	81	116.4 Å²	116.4	43%	0.433	59%	0.587	S	S	.	*	H	α-helix	trans	-62.1	-41.7	179	-63	-16.9	0	0	0	111	Q153 I154 H160 M161	Q153-D157 PolarHBondContact NE2-OD1 2.93Å; Q153-D157 VanDerWaalsContact NE2-OD1 3.11Å; Q153-D157 VanDerWaalsContact O-CG 3.25Å; Q153-D157 PolarHBondContact O-N 2.61Å; I154-D157 PolarHBondContact O-N 3.28Å; D157-H160 PolarHBondContact O-N 3.38Å; D157-M161 WeakPolarHBondContact O-CG 3.36Å; D157-M161 PolarHBondContact O-N 2.96Å
158	V	66.1	Low	73.7	Confident	80 Å²	80	116.9 Å²	116.9	49%	0.485	59%	0.592	S	S	.	*	H	α-helix	trans	-63.2	-42.8	175.2	172.7	0	0	0	0	112.3	I154 L156 H160 M161 T162	I154-V158 WeakPolarHBondContact O-CG2 3.45Å; I154-V158 PolarHBondContact O-N 3.2Å; L156-V158 VanDerWaalsContact C-N 3.34Å; L156-V158 PolarHBondContact O-N 2.83Å; V158-H160 PolarHBondContact O-N 3.41Å; V158-M161 PolarHBondContact O-N 2.92Å; V158-T162 PolarHBondContact O-N 3.11Å; V158-T162 PolarHBondContact O-OG1 3.31Å
159	K	68.6	Low	72.5	Confident	148 Å²	148	118.1 Å²	118.1	64%	0.643	60%	0.598	S	S	*	*	H	α-helix	trans	-63.6	-28	178.3	-84.2	-174	178.9	-178.4	0	113.5	M155 L156 M161	M155-K159 PolarHBondContact O-N 3.37Å; M155-K159 VanDerWaalsContact O-N 3.16Å; L156-K159 PolarHBondContact O-N 2.77Å; K159-M161 VanDerWaalsContact C-N 3.32Å
160	H	64.8	Low	71.5	Confident	160 Å²	160	118.6 Å²	118.6	74%	0.741	60%	0.601	S	S	*	*	H	α-helix	trans	-81	-14.4	175.2	-71.5	-54.8	0	0	0	113.2	L156 D157 V158	L156-H160 PolarHBondContact O-CD2 2.86Å; L156-H160 PolarHBondContact O-N 3.43Å; D157-H160 PolarHBondContact O-N 3.38Å; V158-H160 PolarHBondContact O-N 3.41Å
161	M	59.1	Low	70	Confident	169 Å²	169	119.9 Å²	119.9	83%	0.833	61%	0.606	S	S	*	*	H	α-helix	trans	-95.1	-8.7	177.3	-64.8	177.8	83.6	0	0	113.8	D157 V158 K159	D157-M161 WeakPolarHBondContact O-CG 3.36Å; D157-M161 PolarHBondContact O-N 2.96Å; V158-M161 PolarHBondContact O-N 2.92Å; K159-M161 VanDerWaalsContact C-N 3.32Å
162	T	58.3	Low	68.8	Low	169 Å²	169	118.7 Å²	118.7	100%	1.037	61%	0.608	S	S	*	*			trans	-108.5	0	177.2	-3.5	0	0	0	0	111.1	V158	V158-T162 PolarHBondContact O-N 3.11Å; V158-T162 PolarHBondContact O-OG1 3.31Å

Retrieved 162 of 162 residues in 242.9 ms (Link to these results)

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