A0A5K4F0P7_SCHMA Loading...

PDZ_6 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0P7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 232 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	48.9	Very low	55.7	Low	236 Å²	236	164 Å²	164	100%	1.163	86%	0.856	S	S	*	*				0	77.4	0	-79.2	174.6	173.9	0	0	106.2
2	E	55.3	Low	55	Low	181 Å²	181	165.4 Å²	165.4	85%	0.846	86%	0.855	S	S	*	*				93	103.8	73.7	-164.4	163.7	-179.7	0	0	109.2
3	L	46.2	Very low	55	Low	169 Å²	169	165.1 Å²	165.1	89%	0.885	85%	0.853	S	S	*	*			trans	-69.4	127	-178.9	-73.5	115.5	0	0	0	109.6
4	T	64.7	Low	54.6	Low	140 Å²	140	165.1 Å²	165.1	86%	0.859	85%	0.847	S	S	*	*			trans	-98.3	103.1	169.4	-42.5	0	0	0	0	108.7
5	Q	65.2	Low	54.4	Low	173 Å²	173	160.3 Å²	160.3	81%	0.808	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-77.7	139.6	164.4	-78.1	-178.4	-42.3	0	0	109.5
6	P	66.5	Low	54.2	Low	122 Å²	122	156.6 Å²	156.6	79%	0.792	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-79.2	131.4	169.5	30.9	-29.6	0	0	0	110.6
7	S	58.7	Low	54.4	Low	123 Å²	123	154.9 Å²	154.9	86%	0.86	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-59.6	134.9	176.1	-57.6	0	0	0	0	112.2
8	V	57.3	Low	54.9	Low	127 Å²	127	152.4 Å²	152.4	77%	0.77	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83.5	118.1	170.2	179.9	0	0	0	0	108.2	L10	V8-L10 PolarHBondContact O-N 3.26Å
9	E	51.5	Low	55.3	Low	168 Å²	168	148.6 Å²	148.6	79%	0.785	79%	0.788	S	S	*	*			trans	-69.5	108.8	165	-88.6	-177.8	154.3	0	0	109	Y11	E9-Y11 PolarHBondContact O-N 3.37Å
10	L	46.8	Very low	56.3	Low	164 Å²	164	145.1 Å²	145.1	86%	0.859	78%	0.776	S	S	*	*			trans	-78.6	104.8	165.9	-81.2	161.6	0	0	0	108.1	V8 E12	V8-L10 PolarHBondContact O-N 3.26Å; L10-E12 PolarHBondContact O-N 3.34Å
11	Y	51.5	Low	57.3	Low	201 Å²	201	142.7 Å²	142.7	79%	0.788	76%	0.763	S	S	*	*			trans	-65.2	120	163.1	-92.8	-94.1	0	0	0	109.1	E9 I13	E9-Y11 PolarHBondContact O-N 3.37Å; Y11-I13 PolarHBondContact O-N 2.81Å
12	E	47.6	Very low	59.1	Low	181 Å²	181	134.3 Å²	134.3	85%	0.846	72%	0.723	S	S	*	*			trans	-57.1	103.9	166.1	-105.6	175.1	171.8	0	0	109.4	L10 Q14	L10-E12 PolarHBondContact O-N 3.34Å; E12-Q14 PolarHBondContact O-N 3.05Å
13	I	54.8	Low	60.7	Low	161 Å²	161	129.7 Å²	129.7	83%	0.826	70%	0.7	S	S	*	*			trans	-77.8	99.4	164.4	-59	176.5	0	0	0	105.9	Y11 A15	Y11-I13 PolarHBondContact O-N 2.81Å; I13-A15 PolarHBondContact O-N 2.91Å; I13-A15 VanDerWaalsContact O-N 3.15Å
14	Q	49.2	Very low	62.8	Low	165 Å²	165	127.9 Å²	127.9	77%	0.771	69%	0.687	S	S	*	*			trans	-59.2	116.6	167.2	-70.3	-174.4	-29.2	0	0	108.1	E12 V16	E12-Q14 PolarHBondContact O-N 3.05Å; Q14-V16 PolarHBondContact O-N 3.21Å
15	A	51.3	Low	64.1	Low	93 Å²	93	124.7 Å²	124.7	77%	0.769	67%	0.67	S	S	*	*			trans	-63.3	99.1	172.5	0	0	0	0	0	108.4	I13 D17	I13-A15 PolarHBondContact O-N 2.91Å; I13-A15 VanDerWaalsContact O-N 3.15Å; A15-D17 PolarHBondContact O-N 3.15Å
16	V	51.6	Low	65.4	Low	101 Å²	101	117.1 Å²	117.1	61%	0.612	64%	0.635	S	S	*	*			trans	-62.6	124.6	170.5	179	0	0	0	0	107.3	Q14 T18	Q14-V16 PolarHBondContact O-N 3.21Å; V16-T18 PolarHBondContact O-N 3.35Å
17	D	57.3	Low	66.6	Low	129 Å²	129	116.1 Å²	116.1	69%	0.69	62%	0.619	S	S	*	*			trans	-65.1	67.1	176.5	-76.2	-45.4	0	0	0	111.4	A15 H19 S20 D21	A15-D17 PolarHBondContact O-N 3.15Å; D17-H19 PolarHBondContact O-N 3.43Å; D17-S20 PolarHBondContact O-N 3.29Å; D17-D21 PolarHBondContact O-N 3.14Å
18	T	63.2	Low	68.3	Low	109 Å²	109	113.7 Å²	113.7	67%	0.669	60%	0.601	S	S	*	*	H	α-helix	trans	-50.8	-24.9	-179.9	46	0	0	0	0	113.5	V16 N22	V16-T18 PolarHBondContact O-N 3.35Å; T18-N22 WeakPolarHBondContact O-CB 3.48Å; T18-N22 PolarHBondContact O-N 2.72Å
19	H	64	Low	70.1	Confident	81 Å²	81	112 Å²	112	38%	0.375	58%	0.584	S	S	.	*	H	α-helix	trans	-71.6	-40.9	178.7	-161.5	75.8	0	0	0	113.5	D17 F23 Y110 N114	D17-H19 PolarHBondContact O-N 3.43Å; H19-F23 PolarHBondContact O-N 3Å; H19-Y110 AromaticContact CE1-CD1 3.83Å; H19-N114 PolarHBondContact CE1-ND2 3.25Å; H19-N114 PolarHBondContact NE2-ND2 3.19Å
20	S	74.1	Confident	72.2	Confident	78 Å²	78	107.8 Å²	107.8	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-68.7	-41.2	179.3	-174	0	0	0	0	110.7	D17 N22 F23 H24	D17-S20 PolarHBondContact O-N 3.29Å; S20-N22 VanDerWaalsContact C-N 3.3Å; S20-N22 PolarHBondContact O-N 3.16Å; S20-F23 PolarHBondContact O-N 3.06Å; S20-H24 PolarHBondContact O-N 3.33Å
21	D	78.5	Confident	74.5	Confident	94 Å²	94	103.5 Å²	103.5	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-62.9	-38.5	179.2	-62.6	-27.8	0	0	0	111.7	D17 H24 S25	D17-D21 PolarHBondContact O-N 3.14Å; D21-H24 PolarHBondContact O-N 2.7Å; D21-S25 WeakPolarHBondContact O-CB 3.4Å; D21-S25 PolarHBondContact O-N 2.78Å
22	N	86.5	Confident	76.7	Confident	60 Å²	60	95.9 Å²	95.9	32%	0.321	52%	0.522	S	S	.	.	H	α-helix	trans	-68.4	-45.5	179.1	-169.6	9.4	0	0	0	112.3	T18 S20 H24 S25 I26 Y110	T18-N22 WeakPolarHBondContact O-CB 3.48Å; T18-N22 PolarHBondContact O-N 2.72Å; S20-N22 VanDerWaalsContact C-N 3.3Å; S20-N22 PolarHBondContact O-N 3.16Å; N22-H24 VanDerWaalsContact C-N 3.32Å; N22-H24 PolarHBondContact O-N 2.84Å; N22-S25 PolarHBondContact O-N 3.49Å; N22-I26 WeakPolarHBondContact O-CD1 3.32Å; N22-I26 VanDerWaalsContact O-CG1 3.27Å; N22-I26 WeakPolarHBondContact O-CG1 3.36Å; N22-I26 PolarHBondContact O-N 3.5Å; N22-Y110 WeakPolarHBondContact ND2-CE1 3.26Å; N22-Y110 VanDerWaalsContact ND2-CZ 3.28Å; N22-Y110 PolarHBondContact ND2-OH 3.17Å
23	F	88.4	Confident	79	Confident	85 Å²	85	88 Å²	88	37%	0.373	49%	0.485	S	S	.	.	H	α-helix	trans	-60.3	-43.3	174.7	179.6	-98.4	0	0	0	111.7	H19 S20 S25 I26 K27 I107	H19-F23 PolarHBondContact O-N 3Å; S20-F23 PolarHBondContact O-N 3.06Å; F23-S25 VanDerWaalsContact C-N 3.35Å; F23-S25 PolarHBondContact O-N 3.43Å; F23-I26 PolarHBondContact O-N 2.8Å; F23-K27 HydrophobicContact CE1-CD 4.42Å; F23-K27 WeakPolarHBondContact O-CB 3.43Å; F23-K27 PolarHBondContact O-N 3.05Å; F23-I107 HydrophobicContact CE2-CG2 4.25Å
24	H	90	Very high	81	Confident	130 Å²	130	82 Å²	82	60%	0.602	46%	0.456	S	S	*	.	H	α-helix	trans	-62.5	-41.4	177.3	-172	68.2	0	0	0	112	S20 D21 N22 I26 K27 S28	S20-H24 PolarHBondContact O-N 3.33Å; D21-H24 PolarHBondContact O-N 2.7Å; N22-H24 VanDerWaalsContact C-N 3.32Å; N22-H24 PolarHBondContact O-N 2.84Å; H24-I26 PolarHBondContact O-N 3.5Å; H24-K27 PolarHBondContact O-N 3.02Å; H24-S28 WeakPolarHBondContact O-CB 3.38Å; H24-S28 PolarHBondContact O-N 3.24Å
25	S	91.8	Very high	83.3	Confident	73 Å²	73	79.4 Å²	79.4	51%	0.51	45%	0.447	S	S	.	.	H	α-helix	trans	-61.3	-43.3	175.7	176.8	0	0	0	0	112.3	D21 N22 F23 S28 K29	D21-S25 WeakPolarHBondContact O-CB 3.4Å; D21-S25 PolarHBondContact O-N 2.78Å; N22-S25 PolarHBondContact O-N 3.49Å; F23-S25 VanDerWaalsContact C-N 3.35Å; F23-S25 PolarHBondContact O-N 3.43Å; S25-S28 PolarHBondContact O-N 3.19Å; S25-K29 WeakPolarHBondContact O-CB 3.2Å; S25-K29 PolarHBondContact O-N 3.06Å
26	I	92.1	Very high	85.5	Confident	15 Å²	15	77.9 Å²	77.9	8%	0.077	42%	0.424	C	S	.	.	H	α-helix	trans	-67.9	-42.6	179.5	-64.3	164.7	0	0	0	110.7	N22 F23 H24 K29 Y30 V103 K106 I107 Y110	N22-I26 WeakPolarHBondContact O-CD1 3.32Å; N22-I26 VanDerWaalsContact O-CG1 3.27Å; N22-I26 WeakPolarHBondContact O-CG1 3.36Å; N22-I26 PolarHBondContact O-N 3.5Å; F23-I26 PolarHBondContact O-N 2.8Å; H24-I26 PolarHBondContact O-N 3.5Å; I26-K29 WeakPolarHBondContact O-CB 3.4Å; I26-K29 PolarHBondContact O-N 2.87Å; I26-Y30 PolarHBondContact O-N 2.85Å; I26-V103 HydrophobicContact CG2-CG1 3.84Å; I26-K106 HydrophobicContact CG2-CB 4.28Å; I26-I107 HydrophobicContact CG2-CD1 4.17Å; I26-I107 HydrophobicContact CG2-CG1 3.46Å; I26-I107 VanDerWaalsContact CG2-CG1 3.46Å; I26-Y110 HydrophobicContact CD1-CD2 3.38Å; I26-Y110 HydrophobicContact CD1-CE2 2.97Å; I26-Y110 HydrophobicContact CD1-CG 4.39Å; I26-Y110 HydrophobicContact CG1-CE2 4.45Å
27	K	92.6	Very high	87.7	Confident	101 Å²	101	75.8 Å²	75.8	44%	0.439	41%	0.407	S	S	.	.	H	α-helix	trans	-63	-46.3	175.9	-174	179.4	177.2	-176.6	0	111.5	F23 H24 K29 Y30 D31	F23-K27 HydrophobicContact CE1-CD 4.42Å; F23-K27 WeakPolarHBondContact O-CB 3.43Å; F23-K27 PolarHBondContact O-N 3.05Å; H24-K27 PolarHBondContact O-N 3.02Å; K27-K29 VanDerWaalsContact C-N 3.26Å; K27-K29 PolarHBondContact O-N 2.79Å; K27-Y30 WeakPolarHBondContact O-CA 3.37Å; K27-Y30 WeakPolarHBondContact O-CB 3.32Å; K27-Y30 PolarHBondContact O-N 3.38Å; K27-D31 PolarHBondContact O-N 2.76Å
28	S	94.1	Very high	89.6	Confident	71 Å²	71	73.1 Å²	73.1	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-59.7	-39	176	176.8	0	0	0	0	111.8	H24 S25 G32	H24-S28 WeakPolarHBondContact O-CB 3.38Å; H24-S28 PolarHBondContact O-N 3.24Å; S25-S28 PolarHBondContact O-N 3.19Å; S28-G32 PolarHBondContact O-N 3.07Å
29	K	95.1	Very high	91.2	Very high	92 Å²	92	72.7 Å²	72.7	40%	0.4	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-43.9	172.7	-177.8	174.4	177.5	170.7	0	112.1	S25 I26 K27 G32 L33 E99 V103	S25-K29 WeakPolarHBondContact O-CB 3.2Å; S25-K29 PolarHBondContact O-N 3.06Å; I26-K29 WeakPolarHBondContact O-CB 3.4Å; I26-K29 PolarHBondContact O-N 2.87Å; K27-K29 VanDerWaalsContact C-N 3.26Å; K27-K29 PolarHBondContact O-N 2.79Å; K29-G32 PolarHBondContact O-N 2.85Å; K29-L33 HydrophobicContact CG-CD1 4.19Å; K29-L33 WeakPolarHBondContact O-CG 3.22Å; K29-L33 PolarHBondContact O-N 3.48Å; K29-E99 WeakPolarHBondContact CE-OE1 3.42Å; K29-E99 IonicContact NZ-OE1 3.8Å; K29-E99 PolarHBondContact NZ-OE1 3.22Å; K29-V103 HydrophobicContact CD-CG2 3.91Å; K29-V103 HydrophobicContact CG-CG2 4.15Å
30	Y	96.1	Very high	92.8	Very high	80 Å²	80	68.9 Å²	68.9	31%	0.314	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-51.2	176	177.9	-95.1	0	0	0	111.4	I26 K27 G32 L33 V34 L100 V103 I107	I26-Y30 PolarHBondContact O-N 2.85Å; K27-Y30 WeakPolarHBondContact O-CA 3.37Å; K27-Y30 WeakPolarHBondContact O-CB 3.32Å; K27-Y30 PolarHBondContact O-N 3.38Å; Y30-G32 VanDerWaalsContact C-N 3.3Å; Y30-G32 PolarHBondContact O-N 3.48Å; Y30-L33 PolarHBondContact O-N 2.91Å; Y30-L33 VanDerWaalsContact O-N 3.11Å; Y30-V34 HydrophobicContact CD1-CG2 4.07Å; Y30-V34 HydrophobicContact CE1-CG2 3.65Å; Y30-V34 HydrophobicContact CE2-CG2 4.28Å; Y30-V34 WeakPolarHBondContact O-CG2 3.27Å; Y30-V34 PolarHBondContact O-N 2.93Å; Y30-L100 HydrophobicContact CD2-CD2 3.77Å; Y30-L100 HydrophobicContact CE2-CD2 3.79Å; Y30-V103 HydrophobicContact CD2-CG1 4.24Å; Y30-V103 HydrophobicContact CG-CG1 4.48Å; Y30-I107 HydrophobicContact CD2-CD1 4.31Å; Y30-I107 HydrophobicContact CG-CD1 4.18Å
31	D	96	Very high	93.9	Very high	74 Å²	74	68.3 Å²	68.3	40%	0.396	35%	0.35	S	S	.	.	H	α-helix	trans	-58.5	-43.8	-179.6	-64.7	-24.3	0	0	0	110.7	K27 L33 V34 D35	K27-D31 PolarHBondContact O-N 2.76Å; D31-L33 PolarHBondContact O-N 3.41Å; D31-V34 PolarHBondContact O-N 2.88Å; D31-D35 PolarHBondContact O-N 3.19Å
32	G	96.8	Very high	94.8	Very high	41 Å²	41	70.5 Å²	70.5	42%	0.423	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-36.8	176	0	0	0	0	0	114.2	S28 K29 Y30 E36	S28-G32 PolarHBondContact O-N 3.07Å; K29-G32 PolarHBondContact O-N 2.85Å; Y30-G32 VanDerWaalsContact C-N 3.3Å; Y30-G32 PolarHBondContact O-N 3.48Å; G32-E36 WeakPolarHBondContact O-CB 3.49Å; G32-E36 PolarHBondContact O-N 2.97Å
33	L	96.3	Very high	95.3	Very high	15 Å²	15	71.9 Å²	71.9	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-70.9	-35	175.1	-72.5	167.5	0	0	0	112.3	K29 Y30 D31 E36 K37 I96 E99 L100 V103	K29-L33 HydrophobicContact CG-CD1 4.19Å; K29-L33 WeakPolarHBondContact O-CG 3.22Å; K29-L33 PolarHBondContact O-N 3.48Å; Y30-L33 PolarHBondContact O-N 2.91Å; Y30-L33 VanDerWaalsContact O-N 3.11Å; D31-L33 PolarHBondContact O-N 3.41Å; L33-E36 PolarHBondContact O-N 3.26Å; L33-K37 WeakPolarHBondContact O-CB 3.36Å; L33-K37 PolarHBondContact O-N 3.4Å; L33-I96 HydrophobicContact CD2-CG2 4.33Å; L33-E99 HydrophobicContact CD1-CB 4.16Å; L33-E99 HydrophobicContact CD1-CG 3.68Å; L33-E99 HydrophobicContact CD2-CB 4.27Å; L33-E99 HydrophobicContact CD2-CG 4.13Å; L33-E99 WeakPolarHBondContact CD2-OE2 3.22Å; L33-L100 HydrophobicContact CB-CD2 3.46Å; L33-L100 VanDerWaalsContact CB-CD2 3.46Å; L33-L100 HydrophobicContact CB-CG 3.76Å; L33-L100 HydrophobicContact CD1-CD2 4.29Å; L33-L100 HydrophobicContact CD1-CG 4.41Å; L33-V103 HydrophobicContact CD1-CG2 3.84Å
34	V	96.8	Very high	95.8	Very high	36 Å²	36	69.3 Å²	69.3	22%	0.218	35%	0.348	C	S	.	.	H	α-helix	trans	-64.9	-43.7	174	171.3	0	0	0	0	110.6	Y30 D31 E36 K37 N38 L100	Y30-V34 HydrophobicContact CD1-CG2 4.07Å; Y30-V34 HydrophobicContact CE1-CG2 3.65Å; Y30-V34 HydrophobicContact CE2-CG2 4.28Å; Y30-V34 WeakPolarHBondContact O-CG2 3.27Å; Y30-V34 PolarHBondContact O-N 2.93Å; D31-V34 PolarHBondContact O-N 2.88Å; V34-E36 VanDerWaalsContact C-N 3.34Å; V34-E36 PolarHBondContact O-N 3.05Å; V34-K37 WeakPolarHBondContact O-CB 3.42Å; V34-K37 PolarHBondContact O-N 2.81Å; V34-N38 PolarHBondContact O-N 2.89Å; V34-N38 PolarHBondContact O-ND2 3.23Å; V34-L100 HydrophobicContact CG2-CD2 3.8Å
35	D	97.4	Very high	96.1	Very high	109 Å²	109	66.7 Å²	66.7	58%	0.583	34%	0.344	S	S	*	.	H	α-helix	trans	-61.6	-43.1	175.7	-74.7	-20.3	0	0	0	111.8	D31 N38 R39	D31-D35 PolarHBondContact O-N 3.19Å; D35-N38 PolarHBondContact O-N 3.38Å; D35-R39 WeakPolarHBondContact O-CB 3.45Å; D35-R39 PolarHBondContact O-N 3.46Å
36	E	96.7	Very high	96.3	Very high	61 Å²	61	67.9 Å²	67.9	29%	0.285	34%	0.342	S	S	.	.	H	α-helix	trans	-66.1	-42	177.3	-179.2	57.8	-158.5	0	0	112	G32 L33 V34 N38 R39 I40 I96	G32-E36 WeakPolarHBondContact O-CB 3.49Å; G32-E36 PolarHBondContact O-N 2.97Å; L33-E36 PolarHBondContact O-N 3.26Å; V34-E36 VanDerWaalsContact C-N 3.34Å; V34-E36 PolarHBondContact O-N 3.05Å; E36-N38 VanDerWaalsContact C-N 3.34Å; E36-N38 PolarHBondContact O-N 2.75Å; E36-R39 VanDerWaalsContact CD-NH2 3.28Å; E36-R39 WeakPolarHBondContact O-CB 3.37Å; E36-R39 PolarHBondContact O-N 3.01Å; E36-R39 IonicContact OE1-CZ 2.72Å; E36-R39 IonicContact OE1-NE 3.98Å; E36-R39 PolarHBondContact OE1-NE 3.47Å; E36-R39 IonicContact OE1-NH1 3.11Å; E36-R39 IonicContact OE1-NH2 3.24Å; E36-R39 PolarHBondContact OE1-NH2 3.09Å; E36-R39 IonicContact OE2-CZ 2.74Å; E36-R39 VanDerWaalsContact OE2-CZ 3.24Å; E36-R39 IonicContact OE2-NE 2.67Å; E36-R39 PolarHBondContact OE2-NE 3.3Å; E36-R39 IonicContact OE2-NH2 3.46Å; E36-R39 PolarHBondContact OE2-NH2 3.4Å; E36-I40 HydrophobicContact CG-CD1 4.46Å; E36-I40 WeakPolarHBondContact O-CG1 3.4Å; E36-I40 PolarHBondContact O-N 3.16Å; E36-I96 HydrophobicContact CG-CD1 3.52Å; E36-I96 HydrophobicContact CG-CG1 4.34Å
37	K	97.4	Very high	96.4	Very high	57 Å²	57	68.4 Å²	68.4	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-53.4	-51.9	170.3	170.6	-166.5	173	-71.1	0	110.5	L33 V34 R39 I40 E41 I96 L100	L33-K37 WeakPolarHBondContact O-CB 3.36Å; L33-K37 PolarHBondContact O-N 3.4Å; V34-K37 WeakPolarHBondContact O-CB 3.42Å; V34-K37 PolarHBondContact O-N 2.81Å; K37-R39 VanDerWaalsContact C-N 3.28Å; K37-R39 PolarHBondContact O-N 2.96Å; K37-I40 PolarHBondContact O-N 3.42Å; K37-I40 VanDerWaalsContact O-N 3.17Å; K37-E41 WeakPolarHBondContact CE-OE1 3.41Å; K37-E41 HydrophobicContact CG-CG 4.5Å; K37-E41 WeakPolarHBondContact CG-OE1 3.48Å; K37-E41 IonicContact NZ-OE1 3.31Å; K37-E41 PolarHBondContact NZ-OE1 3.34Å; K37-E41 IonicContact NZ-OE2 3.9Å; K37-E41 PolarHBondContact NZ-OE2 3.01Å; K37-E41 WeakPolarHBondContact O-CG 3.05Å; K37-E41 PolarHBondContact O-N 3.49Å; K37-I96 HydrophobicContact CB-CG2 4.1Å; K37-L100 HydrophobicContact CB-CD1 4.34Å; K37-L100 HydrophobicContact CD-CD1 4.1Å
38	N	97.5	Very high	96.5	Very high	73 Å²	73	66.1 Å²	66.1	39%	0.39	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-38.1	-179.3	-66.8	-25.4	0	0	0	111.5	V34 D35 E36 E41 K42	V34-N38 PolarHBondContact O-N 2.89Å; V34-N38 PolarHBondContact O-ND2 3.23Å; D35-N38 PolarHBondContact O-N 3.38Å; E36-N38 VanDerWaalsContact C-N 3.34Å; E36-N38 PolarHBondContact O-N 2.75Å; N38-E41 PolarHBondContact O-N 2.99Å; N38-K42 WeakPolarHBondContact O-CB 3.49Å; N38-K42 PolarHBondContact O-N 2.97Å
39	R	97.7	Very high	96.5	Very high	101 Å²	101	65.7 Å²	65.7	38%	0.381	33%	0.332	S	S	.	.	H	α-helix	trans	-63.4	-42.1	175.8	-168	-172.9	64.4	64.2	-23	112	D35 E36 K37 K43	D35-R39 WeakPolarHBondContact O-CB 3.45Å; D35-R39 PolarHBondContact O-N 3.46Å; E36-R39 VanDerWaalsContact CD-NH2 3.28Å; E36-R39 WeakPolarHBondContact O-CB 3.37Å; E36-R39 PolarHBondContact O-N 3.01Å; E36-R39 IonicContact OE1-CZ 2.72Å; E36-R39 IonicContact OE1-NE 3.98Å; E36-R39 PolarHBondContact OE1-NE 3.47Å; E36-R39 IonicContact OE1-NH1 3.11Å; E36-R39 IonicContact OE1-NH2 3.24Å; E36-R39 PolarHBondContact OE1-NH2 3.09Å; E36-R39 IonicContact OE2-CZ 2.74Å; E36-R39 VanDerWaalsContact OE2-CZ 3.24Å; E36-R39 IonicContact OE2-NE 2.67Å; E36-R39 PolarHBondContact OE2-NE 3.3Å; E36-R39 IonicContact OE2-NH2 3.46Å; E36-R39 PolarHBondContact OE2-NH2 3.4Å; K37-R39 VanDerWaalsContact C-N 3.28Å; K37-R39 PolarHBondContact O-N 2.96Å; R39-K43 VanDerWaalsContact NH1-CE 3.3Å; R39-K43 WeakPolarHBondContact O-CG 3.43Å; R39-K43 PolarHBondContact O-N 2.99Å
40	I	97.5	Very high	96.4	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-68.7	-44.9	177.9	-69.2	175.5	0	0	0	110.8	E36 K37 K42 K43 L44 L89 D92 H93 I96	E36-I40 HydrophobicContact CG-CD1 4.46Å; E36-I40 WeakPolarHBondContact O-CG1 3.4Å; E36-I40 PolarHBondContact O-N 3.16Å; K37-I40 PolarHBondContact O-N 3.42Å; K37-I40 VanDerWaalsContact O-N 3.17Å; I40-K42 VanDerWaalsContact C-N 3.28Å; I40-K42 PolarHBondContact O-N 2.88Å; I40-K43 PolarHBondContact O-N 3.46Å; I40-K43 VanDerWaalsContact O-N 3.11Å; I40-L44 HydrophobicContact CG2-CD1 3.88Å; I40-L44 HydrophobicContact CG2-CG 4.28Å; I40-L44 PolarHBondContact O-N 3.3Å; I40-L89 HydrophobicContact CG1-CD2 4.38Å; I40-L89 HydrophobicContact CG2-CB 4.14Å; I40-L89 HydrophobicContact CG2-CD2 4.17Å; I40-D92 HydrophobicContact CD1-CB 4.04Å; I40-H93 HydrophobicContact CG2-CB 3.91Å; I40-I96 HydrophobicContact CD1-CD1 3.15Å; I40-I96 HydrophobicContact CG1-CD1 4.47Å
41	E	97.2	Very high	96.2	Very high	66 Å²	66	60.6 Å²	60.6	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-39.7	177.8	-74.1	173.3	-179.8	0	0	111.9	K37 N38 L44 S45 H93	K37-E41 WeakPolarHBondContact CE-OE1 3.41Å; K37-E41 HydrophobicContact CG-CG 4.5Å; K37-E41 WeakPolarHBondContact CG-OE1 3.48Å; K37-E41 IonicContact NZ-OE1 3.31Å; K37-E41 PolarHBondContact NZ-OE1 3.34Å; K37-E41 IonicContact NZ-OE2 3.9Å; K37-E41 PolarHBondContact NZ-OE2 3.01Å; K37-E41 WeakPolarHBondContact O-CG 3.05Å; K37-E41 PolarHBondContact O-N 3.49Å; N38-E41 PolarHBondContact O-N 2.99Å; E41-L44 PolarHBondContact O-N 2.8Å; E41-S45 PolarHBondContact O-N 2.9Å; E41-H93 IonicContact OE1-CD2 3.19Å; E41-H93 IonicContact OE1-CE1 2.82Å; E41-H93 IonicContact OE1-NE2 2.56Å; E41-H93 PolarHBondContact OE1-NE2 3.36Å
42	K	97.7	Very high	96	Very high	140 Å²	140	63.1 Å²	63.1	61%	0.609	32%	0.318	S	S	*	.	H	α-helix	trans	-60.6	-47.9	172.8	-172	-178.8	176.6	-177.5	0	112	N38 I40 L44 S45 E46	N38-K42 WeakPolarHBondContact O-CB 3.49Å; N38-K42 PolarHBondContact O-N 2.97Å; I40-K42 VanDerWaalsContact C-N 3.28Å; I40-K42 PolarHBondContact O-N 2.88Å; K42-L44 PolarHBondContact O-N 2.83Å; K42-S45 WeakPolarHBondContact O-CB 3.32Å; K42-S45 PolarHBondContact O-N 2.86Å; K42-E46 WeakPolarHBondContact CE-OE1 3.24Å; K42-E46 WeakPolarHBondContact O-CG 3.35Å; K42-E46 PolarHBondContact O-N 3.25Å
43	K	97.2	Very high	95.8	Very high	89 Å²	89	67.6 Å²	67.6	39%	0.387	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-39.6	177	-74.2	-177.6	176	178.4	0	112.5	R39 I40 S45 E46 L47 L89	R39-K43 VanDerWaalsContact NH1-CE 3.3Å; R39-K43 WeakPolarHBondContact O-CG 3.43Å; R39-K43 PolarHBondContact O-N 2.99Å; I40-K43 PolarHBondContact O-N 3.46Å; I40-K43 VanDerWaalsContact O-N 3.11Å; K43-S45 VanDerWaalsContact C-N 3.31Å; K43-E46 PolarHBondContact O-N 2.98Å; K43-L47 WeakPolarHBondContact O-CG 3.2Å; K43-L47 PolarHBondContact O-N 3.05Å; K43-L89 HydrophobicContact CB-CD1 3.83Å; K43-L89 HydrophobicContact CD-CD2 4.43Å
44	L	97.2	Very high	95.4	Very high	30 Å²	30	68.9 Å²	68.9	16%	0.157	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-43.1	174.5	-79.5	168.4	0	0	0	110.9	I40 E41 K42 L47 S48 I86 L89 N90	I40-L44 HydrophobicContact CG2-CD1 3.88Å; I40-L44 HydrophobicContact CG2-CG 4.28Å; I40-L44 PolarHBondContact O-N 3.3Å; E41-L44 PolarHBondContact O-N 2.8Å; K42-L44 PolarHBondContact O-N 2.83Å; L44-L47 PolarHBondContact O-N 2.83Å; L44-S48 VanDerWaalsContact O-CB 3.3Å; L44-S48 WeakPolarHBondContact O-CB 3.34Å; L44-S48 PolarHBondContact O-N 2.9Å; L44-I86 HydrophobicContact CD2-CB 4.36Å; L44-I86 HydrophobicContact CD2-CG1 4.42Å; L44-I86 HydrophobicContact CD2-CG2 3.87Å; L44-L89 HydrophobicContact CD2-CB 3.76Å; L44-L89 HydrophobicContact CD2-CD1 4.37Å; L44-L89 HydrophobicContact CG-CB 4.01Å; L44-L89 HydrophobicContact CG-CD1 4.41Å; L44-N90 WeakPolarHBondContact CD1-OD1 3.35Å; L44-N90 VanDerWaalsContact CD2-OD1 3.31Å; L44-N90 WeakPolarHBondContact CD2-OD1 3.39Å
45	S	96.3	Very high	94.6	Very high	75 Å²	75	69.5 Å²	69.5	52%	0.524	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-47.8	175.1	-173.7	0	0	0	0	111.6	E41 K42 K43 L47 S48 E49	E41-S45 PolarHBondContact O-N 2.9Å; K42-S45 WeakPolarHBondContact O-CB 3.32Å; K42-S45 PolarHBondContact O-N 2.86Å; K43-S45 VanDerWaalsContact C-N 3.31Å; S45-L47 PolarHBondContact O-N 2.72Å; S45-S48 PolarHBondContact O-N 2.8Å; S45-S48 PolarHBondContact O-OG 3.38Å; S45-E49 PolarHBondContact O-N 3.21Å
46	E	96.3	Very high	94.1	Very high	99 Å²	99	69.9 Å²	69.9	46%	0.463	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-43.6	177	-69.8	168.2	-169.6	0	0	112.8	K42 K43 E49 I50	K42-E46 WeakPolarHBondContact CE-OE1 3.24Å; K42-E46 WeakPolarHBondContact O-CG 3.35Å; K42-E46 PolarHBondContact O-N 3.25Å; K43-E46 PolarHBondContact O-N 2.98Å; E46-E49 WeakPolarHBondContact O-CB 3.28Å; E46-E49 PolarHBondContact O-N 3.09Å; E46-I50 WeakPolarHBondContact O-CG1 3.32Å; E46-I50 PolarHBondContact O-N 3.4Å
47	L	95.4	Very high	93.5	Very high	25 Å²	25	67.7 Å²	67.7	13%	0.131	34%	0.341	C	S	.	.	H	α-helix	trans	-70.6	-34	177.3	-67.5	168.7	0	0	0	112.2	K43 L44 S45 E49 I50 L51 T82 N85 I86 L89	K43-L47 WeakPolarHBondContact O-CG 3.2Å; K43-L47 PolarHBondContact O-N 3.05Å; L44-L47 PolarHBondContact O-N 2.83Å; S45-L47 PolarHBondContact O-N 2.72Å; L47-E49 VanDerWaalsContact C-N 3.28Å; L47-E49 PolarHBondContact O-N 2.85Å; L47-I50 HydrophobicContact CD2-CD1 4.3Å; L47-I50 PolarHBondContact O-N 3.49Å; L47-L51 PolarHBondContact O-N 3.48Å; L47-L51 VanDerWaalsContact O-N 3.15Å; L47-T82 HydrophobicContact CB-CG2 4.01Å; L47-T82 HydrophobicContact CD2-CG2 4.01Å; L47-T82 WeakPolarHBondContact O-CG2 3.35Å; L47-N85 HydrophobicContact CD1-CB 3.74Å; L47-N85 HydrophobicContact CD2-CB 4.41Å; L47-I86 HydrophobicContact CB-CD1 3.86Å; L47-I86 HydrophobicContact CB-CG1 3.61Å; L47-I86 HydrophobicContact CD1-CG1 3.92Å; L47-I86 HydrophobicContact CG-CG1 4.41Å; L47-L89 HydrophobicContact CD1-CD1 3.5Å
48	S	94.2	Very high	93.1	Very high	54 Å²	54	66.5 Å²	66.5	38%	0.378	35%	0.345	S	S	.	.	H	α-helix	trans	-65.2	-35.1	175.1	80.2	0	0	0	0	111.7	L44 S45 L51 R52	L44-S48 VanDerWaalsContact O-CB 3.3Å; L44-S48 WeakPolarHBondContact O-CB 3.34Å; L44-S48 PolarHBondContact O-N 2.9Å; S45-S48 PolarHBondContact O-N 2.8Å; S45-S48 PolarHBondContact O-OG 3.38Å; S48-L51 PolarHBondContact O-N 3.31Å; S48-R52 PolarHBondContact O-N 2.98Å
49	E	94.5	Very high	92.7	Very high	61 Å²	61	65.7 Å²	65.7	29%	0.285	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-46.5	172.4	-175.2	63	-141.3	0	0	111.6	S45 E46 L47 L51 R52 Q53	S45-E49 PolarHBondContact O-N 3.21Å; E46-E49 WeakPolarHBondContact O-CB 3.28Å; E46-E49 PolarHBondContact O-N 3.09Å; L47-E49 VanDerWaalsContact C-N 3.28Å; L47-E49 PolarHBondContact O-N 2.85Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 2.67Å; E49-R52 VanDerWaalsContact CD-CZ 3.47Å; E49-R52 WeakPolarHBondContact O-CA 3.41Å; E49-R52 WeakPolarHBondContact O-CB 3.04Å; E49-R52 PolarHBondContact O-N 3.24Å; E49-R52 IonicContact OE1-CZ 3.4Å; E49-R52 IonicContact OE1-NH1 3.85Å; E49-R52 IonicContact OE1-NH2 2.85Å; E49-R52 PolarHBondContact OE1-NH2 3.48Å; E49-R52 IonicContact OE2-CZ 2.96Å; E49-R52 IonicContact OE2-NH1 2.71Å; E49-R52 PolarHBondContact OE2-NH1 3.26Å; E49-R52 IonicContact OE2-NH2 2.58Å; E49-R52 PolarHBondContact OE2-NH2 2.85Å; E49-Q53 WeakPolarHBondContact O-CG 3.43Å; E49-Q53 PolarHBondContact O-N 2.83Å; E49-Q53 PolarHBondContact OE1-NE2 3.17Å; E49-Q53 VanDerWaalsContact OE1-NE2 3.09Å
50	I	93	Very high	92.4	Very high	55 Å²	55	67.4 Å²	67.4	28%	0.282	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-42.4	178.6	-67.8	165.6	0	0	0	110.7	E46 L47 R52 Q53 N54 L78 T82	E46-I50 WeakPolarHBondContact O-CG1 3.32Å; E46-I50 PolarHBondContact O-N 3.4Å; L47-I50 HydrophobicContact CD2-CD1 4.3Å; L47-I50 PolarHBondContact O-N 3.49Å; I50-R52 VanDerWaalsContact C-N 3.3Å; I50-R52 PolarHBondContact O-N 3.42Å; I50-Q53 PolarHBondContact O-N 2.95Å; I50-N54 PolarHBondContact O-N 3.47Å; I50-N54 VanDerWaalsContact O-N 3.11Å; I50-N54 PolarHBondContact O-ND2 2.93Å; I50-L78 HydrophobicContact CG2-CD1 4.35Å; I50-L78 HydrophobicContact CG2-CD2 4.07Å; I50-L78 HydrophobicContact CG2-CG 4.23Å; I50-T82 HydrophobicContact CB-CG2 4.45Å; I50-T82 HydrophobicContact CG2-CG2 4.33Å
51	L	91.9	Very high	92.1	Very high	11 Å²	11	70 Å²	70	6%	0.058	37%	0.373	C	S	.	.	H	α-helix	trans	-64.5	-35.8	174.7	-68.3	-176	0	0	0	112.5	L47 S48 E49 N54 N56 V57 L59 I79 T82 R83 I86	L47-L51 PolarHBondContact O-N 3.48Å; L47-L51 VanDerWaalsContact O-N 3.15Å; S48-L51 PolarHBondContact O-N 3.31Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 2.67Å; L51-N54 PolarHBondContact O-N 3.24Å; L51-N56 PolarHBondContact O-N 3.18Å; L51-V57 PolarHBondContact O-N 3.1Å; L51-L59 HydrophobicContact CD1-CD2 3.86Å; L51-I79 HydrophobicContact CD2-CB 4.44Å; L51-I79 HydrophobicContact CD2-CG1 4.22Å; L51-I79 HydrophobicContact CD2-CG2 4.04Å; L51-T82 HydrophobicContact CD1-CG2 4.35Å; L51-T82 HydrophobicContact CD2-CG2 3.63Å; L51-T82 HydrophobicContact CG-CG2 3.65Å; L51-R83 HydrophobicContact CD2-CG 4.48Å; L51-I86 HydrophobicContact CD1-CD1 3.47Å; L51-I86 VanDerWaalsContact CD1-CD1 3.47Å; L51-I86 HydrophobicContact CG-CD1 4.2Å
52	R	91.8	Very high	91.8	Very high	127 Å²	127	70.7 Å²	70.7	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-65.6	-43.6	177.7	-155.1	171.1	65.3	-109.8	6.6	111.8	S48 E49 I50 N54 N56	S48-R52 PolarHBondContact O-N 2.98Å; E49-R52 VanDerWaalsContact CD-CZ 3.47Å; E49-R52 WeakPolarHBondContact O-CA 3.41Å; E49-R52 WeakPolarHBondContact O-CB 3.04Å; E49-R52 PolarHBondContact O-N 3.24Å; E49-R52 IonicContact OE1-CZ 3.4Å; E49-R52 IonicContact OE1-NH1 3.85Å; E49-R52 IonicContact OE1-NH2 2.85Å; E49-R52 PolarHBondContact OE1-NH2 3.48Å; E49-R52 IonicContact OE2-CZ 2.96Å; E49-R52 IonicContact OE2-NH1 2.71Å; E49-R52 PolarHBondContact OE2-NH1 3.26Å; E49-R52 IonicContact OE2-NH2 2.58Å; E49-R52 PolarHBondContact OE2-NH2 2.85Å; I50-R52 VanDerWaalsContact C-N 3.3Å; I50-R52 PolarHBondContact O-N 3.42Å; R52-N54 VanDerWaalsContact C-N 3.35Å; R52-N56 WeakPolarHBondContact CG-OD1 3.4Å; R52-N56 PolarHBondContact O-N 2.98Å
53	Q	91.6	Very high	91.6	Very high	134 Å²	134	65 Å²	65	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-68	-32.6	178.9	-68	175	7.3	0	0	112.8	E49 I50 G55	E49-Q53 WeakPolarHBondContact O-CG 3.43Å; E49-Q53 PolarHBondContact O-N 2.83Å; E49-Q53 PolarHBondContact OE1-NE2 3.17Å; E49-Q53 VanDerWaalsContact OE1-NE2 3.09Å; I50-Q53 PolarHBondContact O-N 2.95Å; Q53-G55 PolarHBondContact O-N 3.46Å
54	N	87.9	Confident	91.4	Very high	42 Å²	42	63.8 Å²	63.8	23%	0.225	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	57.3	-178.9	-71.2	-87	0	0	0	112.1	I50 L51 R52 V57 L78 I79	I50-N54 PolarHBondContact O-N 3.47Å; I50-N54 VanDerWaalsContact O-N 3.11Å; I50-N54 PolarHBondContact O-ND2 2.93Å; L51-N54 PolarHBondContact O-N 3.24Å; R52-N54 VanDerWaalsContact C-N 3.35Å; N54-V57 WeakPolarHBondContact O-CG2 2.84Å; N54-L78 WeakPolarHBondContact ND2-CD2 3.41Å; N54-I79 HydrophobicContact CB-CD1 4.4Å; N54-I79 HydrophobicContact CB-CG1 4.38Å
55	G	81.1	Confident	91.1	Very high	49 Å²	49	65.4 Å²	65.4	51%	0.505	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	14.4	173	0	0	0	0	0	115.5	Q53 V57	Q53-G55 PolarHBondContact O-N 3.46Å; G55-V57 PolarHBondContact O-N 3.17Å
56	N	85	Confident	90.9	Very high	118 Å²	118	69.9 Å²	69.9	63%	0.631	39%	0.386	S	S	*	.			trans	56.1	39.9	177.5	-146.7	97.7	0	0	0	113.3	L51 R52	L51-N56 PolarHBondContact O-N 3.18Å; R52-N56 WeakPolarHBondContact CG-OD1 3.4Å; R52-N56 PolarHBondContact O-N 2.98Å
57	V	86.1	Confident	90.8	Very high	14 Å²	14	72.7 Å²	72.7	9%	0.085	40%	0.399	C	S	.	.			trans	-81.7	121.1	-172.1	179.5	0	0	0	0	109.8	L51 N54 G55 T61 L63 I74 I79	L51-V57 PolarHBondContact O-N 3.1Å; N54-V57 WeakPolarHBondContact O-CG2 2.84Å; G55-V57 PolarHBondContact O-N 3.17Å; V57-T61 WeakPolarHBondContact CG1-OG1 3.35Å; V57-L63 HydrophobicContact CG1-CD2 4.09Å; V57-I74 HydrophobicContact CG2-CD1 4.24Å; V57-I74 HydrophobicContact CG2-CG2 3.8Å; V57-I79 HydrophobicContact CB-CD1 4.13Å; V57-I79 HydrophobicContact CG1-CD1 4.19Å; V57-I79 HydrophobicContact CG1-CG2 4.07Å; V57-I79 HydrophobicContact CG2-CD1 3.9Å
58	G	88.5	Confident	90.6	Very high	33 Å²	33	73.9 Å²	73.9	34%	0.34	42%	0.418	S	S	.	.			trans	-65.1	177	175.5	0	0	0	0	0	113.5	D60 T61 R83	G58-D60 VanDerWaalsContact C-N 3.32Å; G58-D60 PolarHBondContact O-N 3.39Å; G58-T61 PolarHBondContact N-OG1 2.92Å; G58-T61 PolarHBondContact O-OG1 2.93Å; G58-R83 PolarHBondContact O-NE 3.05Å; G58-R83 PolarHBondContact O-NH2 3.38Å
59	L	89.3	Confident	90.5	Very high	56 Å²	56	78.8 Å²	78.8	29%	0.293	43%	0.429	S	S	.	.	S	Bend	trans	-70.1	-27.4	179.3	-69.2	176.1	0	0	0	113.6	L51 R83 I86 R87	L51-L59 HydrophobicContact CD1-CD2 3.86Å; L59-R83 HydrophobicContact CD2-CG 4.1Å; L59-R83 VanDerWaalsContact O-CD 3.27Å; L59-R83 WeakPolarHBondContact O-CD 3.34Å; L59-R83 VanDerWaalsContact O-CZ 3.3Å; L59-R83 PolarHBondContact O-NE 3.45Å; L59-R83 VanDerWaalsContact O-NE 3.1Å; L59-I86 HydrophobicContact CD1-CG2 3.95Å; L59-I86 HydrophobicContact CD2-CB 4.06Å; L59-I86 HydrophobicContact CD2-CD1 3.79Å; L59-I86 HydrophobicContact CD2-CG2 3.78Å; L59-R87 PolarHBondContact O-NH2 2.83Å
60	D	90.7	Very high	90.4	Very high	137 Å²	137	80.1 Å²	80.1	73%	0.733	44%	0.443	S	S	*	.	S	Bend	trans	-117.3	4.8	-173.5	-55.3	-57.1	0	0	0	113.6	G58 R87	G58-D60 VanDerWaalsContact C-N 3.32Å; G58-D60 PolarHBondContact O-N 3.39Å; D60-R87 IonicContact OD1-NH2 3.82Å; D60-R87 PolarHBondContact OD1-NH2 3.45Å
61	T	90.1	Very high	90.3	Very high	55 Å²	55	81.4 Å²	81.4	34%	0.337	45%	0.445	S	S	.	.	S	Bend	trans	-69.1	144.9	-179.3	51.8	0	0	0	0	111.7	V57 G58 L63 R83	V57-T61 WeakPolarHBondContact CG1-OG1 3.35Å; G58-T61 PolarHBondContact N-OG1 2.92Å; G58-T61 PolarHBondContact O-OG1 2.93Å; T61-L63 PolarHBondContact O-N 3.3Å; T61-R83 VanDerWaalsContact O-CZ 3.3Å; T61-R83 PolarHBondContact O-NH1 3.34Å; T61-R83 PolarHBondContact O-NH2 3.31Å; T61-R83 PolarHBondContact OG1-NH2 3.03Å
62	P	92.3	Very high	90.3	Very high	80 Å²	80	87 Å²	87	52%	0.519	48%	0.484	S	S	.	.			trans	-59.5	135.5	177.7	-24	34.1	0	0	0	111.9	R71	P62-R71 PolarHBondContact O-NE 3.24Å
63	L	92.1	Very high	90.2	Very high	20 Å²	20	86.1 Å²	86.1	11%	0.105	49%	0.489	C	S	.	.	S	Bend	trans	-95.9	2.4	175.2	-58.4	179.2	0	0	0	112.8	V57 T61 R71 I74 V76 I79 R80	V57-L63 HydrophobicContact CG1-CD2 4.09Å; T61-L63 PolarHBondContact O-N 3.3Å; L63-R71 PolarHBondContact O-N 3.09Å; L63-R71 VanDerWaalsContact O-N 3.15Å; L63-I74 HydrophobicContact CD2-CD1 3.84Å; L63-V76 HydrophobicContact CB-CG1 4.13Å; L63-V76 HydrophobicContact CB-CG2 4.48Å; L63-V76 HydrophobicContact CD1-CG1 4.19Å; L63-I79 HydrophobicContact CD1-CG2 4.39Å; L63-I79 HydrophobicContact CD2-CB 4.33Å; L63-I79 HydrophobicContact CD2-CD1 4.49Å; L63-I79 HydrophobicContact CD2-CG2 3.64Å; L63-R80 HydrophobicContact CD1-CG 3.55Å
64	V	93	Very high	90.1	Very high	65 Å²	65	80.5 Å²	80.5	39%	0.394	46%	0.463	S	S	.	.	B	Isolated β-bridge	trans	-114.5	154.4	177.1	-63.2	0	0	0	0	109.5	Y69 R71	V64-Y69 CarbonylContact C-O 3.56Å; V64-Y69 WeakPolarHBondContact CA-O 3.4Å; V64-Y69 WeakPolarHBondContact CB-O 3.43Å; V64-R71 PolarHBondContact O-NE 2.74Å; V64-R71 VanDerWaalsContact O-NE 3.11Å
65	D	91.7	Very high	90.3	Very high	63 Å²	63	82.2 Å²	82.2	34%	0.337	47%	0.473	S	S	.	.			trans	-80	-179.3	168.9	63.7	18.3	0	0	0	111.3	E67 G68 Y69	D65-E67 PolarHBondContact O-N 3.18Å; D65-E67 PolarHBondContact OD1-N 3.38Å; D65-E67 VanDerWaalsContact OD1-N 3.11Å; D65-G68 PolarHBondContact O-N 2.92Å; D65-G68 VanDerWaalsContact O-N 3.17Å; D65-G68 PolarHBondContact OD1-N 2.85Å; D65-Y69 PolarHBondContact N-O 2.78Å; D65-Y69 PolarHBondContact OD1-N 3.07Å
66	D	92.9	Very high	90.8	Very high	170 Å²	170	81 Å²	81	91%	0.909	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.7	-178.7	-60.6	-36.7	0	0	0	112.8
67	E	93.2	Very high	91.2	Very high	157 Å²	157	78.3 Å²	78.3	73%	0.734	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-6	177.7	-62.6	-67.3	132.3	0	0	112.5	D65 Y69	D65-E67 PolarHBondContact O-N 3.18Å; D65-E67 PolarHBondContact OD1-N 3.38Å; D65-E67 VanDerWaalsContact OD1-N 3.11Å; E67-Y69 HydrophobicContact CB-CD2 3.73Å; E67-Y69 HydrophobicContact CB-CE2 4.02Å
68	G	92.5	Very high	91.6	Very high	51 Å²	51	80.3 Å²	80.3	53%	0.526	46%	0.459	S	S	.	.	S	Bend	trans	88	13.2	178.1	0	0	0	0	0	115.2	D65	D65-G68 PolarHBondContact O-N 2.92Å; D65-G68 VanDerWaalsContact O-N 3.17Å; D65-G68 PolarHBondContact OD1-N 2.85Å
69	Y	91.7	Very high	91.8	Very high	156 Å²	156	78.8 Å²	78.8	61%	0.612	44%	0.443	S	S	*	.	S	Bend	trans	-94.6	154	176.3	-64	-86.7	0	0	0	111.7	V64 D65 E67 R71	V64-Y69 CarbonylContact C-O 3.56Å; V64-Y69 WeakPolarHBondContact CA-O 3.4Å; V64-Y69 WeakPolarHBondContact CB-O 3.43Å; D65-Y69 PolarHBondContact N-O 2.78Å; D65-Y69 PolarHBondContact OD1-N 3.07Å; E67-Y69 HydrophobicContact CB-CD2 3.73Å; E67-Y69 HydrophobicContact CB-CE2 4.02Å; Y69-R71 PolarHBondContact O-N 2.84Å
70	P	92.5	Very high	92.1	Very high	89 Å²	89	83.8 Å²	83.8	58%	0.578	46%	0.458	S	S	*	.	B	Isolated β-bridge	trans	-57.4	130.4	173.5	-21.5	32.7	0	0	0	110.9	S72 V76	P70-S72 PolarHBondContact O-N 2.94Å; P70-V76 HydrophobicContact CB-CG2 4.08Å
71	R	91.2	Very high	92.3	Very high	83 Å²	83	82.1 Å²	82.1	31%	0.313	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-55.8	128.8	177.7	-82.6	-174.3	-174.2	-149.7	-0.1	111.8	P62 L63 V64 Y69 D73 I74	P62-R71 PolarHBondContact O-NE 3.24Å; L63-R71 PolarHBondContact O-N 3.09Å; L63-R71 VanDerWaalsContact O-N 3.15Å; V64-R71 PolarHBondContact O-NE 2.74Å; V64-R71 VanDerWaalsContact O-NE 3.11Å; Y69-R71 PolarHBondContact O-N 2.84Å; R71-D73 WeakPolarHBondContact CB-OD1 3.29Å; R71-I74 HydrophobicContact CB-CD1 3.77Å; R71-I74 HydrophobicContact CB-CG1 3.66Å; R71-I74 HydrophobicContact CG-CD1 4.43Å
72	S	90.2	Very high	92.5	Very high	127 Å²	127	79.7 Å²	79.7	89%	0.888	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.4	-176.9	56	0	0	0	0	113.6	P70 I74	P70-S72 PolarHBondContact O-N 2.94Å; S72-I74 VanDerWaalsContact C-N 3.33Å
73	D	89.9	Confident	92.7	Very high	110 Å²	110	76.8 Å²	76.8	59%	0.588	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-12.1	178.6	58.9	-50.9	0	0	0	113.6	R71	R71-D73 WeakPolarHBondContact CB-OD1 3.29Å
74	I	90.3	Very high	92.9	Very high	15 Å²	15	80.1 Å²	80.1	8%	0.077	43%	0.43	C	S	.	.	S	Bend	trans	-133.4	150.1	-173.1	68.5	-178	0	0	0	112.7	V57 L63 R71 S72 V76 I79	V57-I74 HydrophobicContact CG2-CD1 4.24Å; V57-I74 HydrophobicContact CG2-CG2 3.8Å; L63-I74 HydrophobicContact CD2-CD1 3.84Å; R71-I74 HydrophobicContact CB-CD1 3.77Å; R71-I74 HydrophobicContact CB-CG1 3.66Å; R71-I74 HydrophobicContact CG-CD1 4.43Å; S72-I74 VanDerWaalsContact C-N 3.33Å; I74-V76 HydrophobicContact CD1-CG2 4.2Å; I74-V76 HydrophobicContact CG1-CG2 3.88Å; I74-V76 PolarHBondContact O-N 3.4Å; I74-V76 VanDerWaalsContact O-N 3.1Å; I74-I79 HydrophobicContact CB-CD1 3.63Å; I74-I79 HydrophobicContact CD1-CD1 3.74Å; I74-I79 HydrophobicContact CG1-CD1 3.95Å; I74-I79 HydrophobicContact CG2-CD1 4.28Å
75	D	92.4	Very high	93.1	Very high	79 Å²	79	80.1 Å²	80.1	42%	0.422	43%	0.428	S	S	.	.			trans	-79.2	92.4	166.2	-173.3	-19.9	0	0	0	110	A77 L78 I79	D75-A77 PolarHBondContact O-N 3.16Å; D75-A77 WeakPolarHBondContact OD1-CB 3.45Å; D75-A77 PolarHBondContact OD1-N 3.41Å; D75-L78 HydrophobicContact CB-CB 3.92Å; D75-L78 VanDerWaalsContact CG-CB 3.49Å; D75-L78 PolarHBondContact O-N 3.45Å; D75-L78 PolarHBondContact OD1-N 2.79Å; D75-I79 WeakPolarHBondContact O-CG1 3.41Å; D75-I79 PolarHBondContact O-N 2.8Å
76	V	92.4	Very high	93.3	Very high	24 Å²	24	77.6 Å²	77.6	15%	0.145	41%	0.414	C	S	.	.	H	α-helix	trans	-57.7	-35.6	179.8	175.1	0	0	0	0	112.2	L63 P70 I74 R80	L63-V76 HydrophobicContact CB-CG1 4.13Å; L63-V76 HydrophobicContact CB-CG2 4.48Å; L63-V76 HydrophobicContact CD1-CG1 4.19Å; P70-V76 HydrophobicContact CB-CG2 4.08Å; I74-V76 HydrophobicContact CD1-CG2 4.2Å; I74-V76 HydrophobicContact CG1-CG2 3.88Å; I74-V76 PolarHBondContact O-N 3.4Å; I74-V76 VanDerWaalsContact O-N 3.1Å; V76-R80 WeakPolarHBondContact O-CB 3.28Å; V76-R80 VanDerWaalsContact O-CG 3.28Å; V76-R80 WeakPolarHBondContact O-CG 3.04Å; V76-R80 PolarHBondContact O-N 3.31Å; V76-R80 VanDerWaalsContact O-N 3.08Å
77	A	92.8	Very high	93.5	Very high	61 Å²	61	74.6 Å²	74.6	50%	0.504	39%	0.39	S	S	.	.	H	α-helix	trans	-69.8	-48	-178.2	0	0	0	0	0	110.6	D75 I79 R80 I81	D75-A77 PolarHBondContact O-N 3.16Å; D75-A77 WeakPolarHBondContact OD1-CB 3.45Å; D75-A77 PolarHBondContact OD1-N 3.41Å; A77-I79 PolarHBondContact O-N 2.84Å; A77-R80 PolarHBondContact O-N 2.74Å; A77-I81 WeakPolarHBondContact O-CG1 3.31Å; A77-I81 PolarHBondContact O-N 3.41Å
78	L	93.3	Very high	93.7	Very high	56 Å²	56	70 Å²	70	29%	0.293	38%	0.375	S	S	.	.	H	α-helix	trans	-59.1	-46.8	176.1	178.9	60.3	0	0	0	111.4	I50 N54 D75 R80 I81 T82	I50-L78 HydrophobicContact CG2-CD1 4.35Å; I50-L78 HydrophobicContact CG2-CD2 4.07Å; I50-L78 HydrophobicContact CG2-CG 4.23Å; N54-L78 WeakPolarHBondContact ND2-CD2 3.41Å; D75-L78 HydrophobicContact CB-CB 3.92Å; D75-L78 VanDerWaalsContact CG-CB 3.49Å; D75-L78 PolarHBondContact O-N 3.45Å; D75-L78 PolarHBondContact OD1-N 2.79Å; L78-R80 VanDerWaalsContact C-N 3.35Å; L78-R80 PolarHBondContact O-N 3.02Å; L78-I81 PolarHBondContact O-N 3.02Å; L78-T82 WeakPolarHBondContact O-CB 3.47Å; L78-T82 PolarHBondContact O-N 3.25Å; L78-T82 PolarHBondContact O-OG1 2.75Å
79	I	93.5	Very high	94	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-40.6	-178.6	-69.2	163.7	0	0	0	111.6	L51 N54 V57 L63 I74 D75 A77 I81 T82 R83	L51-I79 HydrophobicContact CD2-CB 4.44Å; L51-I79 HydrophobicContact CD2-CG1 4.22Å; L51-I79 HydrophobicContact CD2-CG2 4.04Å; N54-I79 HydrophobicContact CB-CD1 4.4Å; N54-I79 HydrophobicContact CB-CG1 4.38Å; V57-I79 HydrophobicContact CB-CD1 4.13Å; V57-I79 HydrophobicContact CG1-CD1 4.19Å; V57-I79 HydrophobicContact CG1-CG2 4.07Å; V57-I79 HydrophobicContact CG2-CD1 3.9Å; L63-I79 HydrophobicContact CD1-CG2 4.39Å; L63-I79 HydrophobicContact CD2-CB 4.33Å; L63-I79 HydrophobicContact CD2-CD1 4.49Å; L63-I79 HydrophobicContact CD2-CG2 3.64Å; I74-I79 HydrophobicContact CB-CD1 3.63Å; I74-I79 HydrophobicContact CD1-CD1 3.74Å; I74-I79 HydrophobicContact CG1-CD1 3.95Å; I74-I79 HydrophobicContact CG2-CD1 4.28Å; D75-I79 WeakPolarHBondContact O-CG1 3.41Å; D75-I79 PolarHBondContact O-N 2.8Å; A77-I79 PolarHBondContact O-N 2.84Å; I79-I81 VanDerWaalsContact C-N 3.35Å; I79-I81 PolarHBondContact O-N 3.2Å; I79-T82 PolarHBondContact O-N 2.88Å; I79-R83 HydrophobicContact CG2-CG 4.05Å; I79-R83 VanDerWaalsContact O-CB 3.27Å; I79-R83 WeakPolarHBondContact O-CB 3.45Å; I79-R83 VanDerWaalsContact O-CG 3.26Å; I79-R83 WeakPolarHBondContact O-CG 3.47Å; I79-R83 PolarHBondContact O-N 3.42Å
80	R	94.4	Very high	94.2	Very high	161 Å²	161	64.5 Å²	64.5	61%	0.608	34%	0.344	S	S	*	.	H	α-helix	trans	-59.2	-46.6	176.6	-78.5	178	176.2	-153.4	-0.1	111.6	L63 V76 A77 L78 N84	L63-R80 HydrophobicContact CD1-CG 3.55Å; V76-R80 WeakPolarHBondContact O-CB 3.28Å; V76-R80 VanDerWaalsContact O-CG 3.28Å; V76-R80 WeakPolarHBondContact O-CG 3.04Å; V76-R80 PolarHBondContact O-N 3.31Å; V76-R80 VanDerWaalsContact O-N 3.08Å; A77-R80 PolarHBondContact O-N 2.74Å; L78-R80 VanDerWaalsContact C-N 3.35Å; L78-R80 PolarHBondContact O-N 3.02Å; R80-N84 WeakPolarHBondContact O-CB 3.5Å; R80-N84 PolarHBondContact O-N 3.07Å
81	I	95.3	Very high	94.5	Very high	102 Å²	102	64.3 Å²	64.3	52%	0.523	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-49.1	178.8	-65.1	166.2	0	0	0	110.1	A77 L78 I79 R83 N84 N85	A77-I81 WeakPolarHBondContact O-CG1 3.31Å; A77-I81 PolarHBondContact O-N 3.41Å; L78-I81 PolarHBondContact O-N 3.02Å; I79-I81 VanDerWaalsContact C-N 3.35Å; I79-I81 PolarHBondContact O-N 3.2Å; I81-R83 PolarHBondContact O-N 3.32Å; I81-N84 WeakPolarHBondContact O-CB 3.36Å; I81-N84 PolarHBondContact O-N 3.41Å; I81-N85 VanDerWaalsContact O-CG 3.27Å; I81-N85 PolarHBondContact O-N 3.45Å; I81-N85 PolarHBondContact O-ND2 3.46Å
82	T	95.8	Very high	94.7	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-44.9	-179.9	-60.4	0	0	0	0	111.8	L47 I50 L51 L78 I79 N84 N85 I86	L47-T82 HydrophobicContact CB-CG2 4.01Å; L47-T82 HydrophobicContact CD2-CG2 4.01Å; L47-T82 WeakPolarHBondContact O-CG2 3.35Å; I50-T82 HydrophobicContact CB-CG2 4.45Å; I50-T82 HydrophobicContact CG2-CG2 4.33Å; L51-T82 HydrophobicContact CD1-CG2 4.35Å; L51-T82 HydrophobicContact CD2-CG2 3.63Å; L51-T82 HydrophobicContact CG-CG2 3.65Å; L78-T82 WeakPolarHBondContact O-CB 3.47Å; L78-T82 PolarHBondContact O-N 3.25Å; L78-T82 PolarHBondContact O-OG1 2.75Å; I79-T82 PolarHBondContact O-N 2.88Å; T82-N84 VanDerWaalsContact C-N 3.34Å; T82-N84 PolarHBondContact O-N 2.9Å; T82-N85 PolarHBondContact O-N 2.89Å; T82-I86 HydrophobicContact CG2-CD1 4.05Å; T82-I86 WeakPolarHBondContact O-CG1 3.37Å; T82-I86 PolarHBondContact O-N 3.26Å
83	R	95.6	Very high	95.1	Very high	19 Å²	19	59.5 Å²	59.5	7%	0.072	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-41	175.5	-77.6	178.7	174.6	-179.9	1.6	112.4	L51 G58 L59 T61 I79 I81 I86 R87	L51-R83 HydrophobicContact CD2-CG 4.48Å; G58-R83 PolarHBondContact O-NE 3.05Å; G58-R83 PolarHBondContact O-NH2 3.38Å; L59-R83 HydrophobicContact CD2-CG 4.1Å; L59-R83 VanDerWaalsContact O-CD 3.27Å; L59-R83 WeakPolarHBondContact O-CD 3.34Å; L59-R83 VanDerWaalsContact O-CZ 3.3Å; L59-R83 PolarHBondContact O-NE 3.45Å; L59-R83 VanDerWaalsContact O-NE 3.1Å; T61-R83 VanDerWaalsContact O-CZ 3.3Å; T61-R83 PolarHBondContact O-NH1 3.34Å; T61-R83 PolarHBondContact O-NH2 3.31Å; T61-R83 PolarHBondContact OG1-NH2 3.03Å; I79-R83 HydrophobicContact CG2-CG 4.05Å; I79-R83 VanDerWaalsContact O-CB 3.27Å; I79-R83 WeakPolarHBondContact O-CB 3.45Å; I79-R83 VanDerWaalsContact O-CG 3.26Å; I79-R83 WeakPolarHBondContact O-CG 3.47Å; I79-R83 PolarHBondContact O-N 3.42Å; I81-R83 PolarHBondContact O-N 3.32Å; R83-I86 PolarHBondContact O-N 2.99Å; R83-R87 WeakPolarHBondContact O-CG 3.47Å; R83-R87 PolarHBondContact O-N 2.95Å
84	N	96.3	Very high	95.4	Very high	90 Å²	90	60.3 Å²	60.3	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-47.1	176.3	-172.3	58.6	0	0	0	110.8	R80 I81 T82 I86 R87 C88	R80-N84 WeakPolarHBondContact O-CB 3.5Å; R80-N84 PolarHBondContact O-N 3.07Å; I81-N84 WeakPolarHBondContact O-CB 3.36Å; I81-N84 PolarHBondContact O-N 3.41Å; T82-N84 VanDerWaalsContact C-N 3.34Å; T82-N84 PolarHBondContact O-N 2.9Å; N84-I86 VanDerWaalsContact C-N 3.34Å; N84-I86 PolarHBondContact O-N 3.47Å; N84-R87 PolarHBondContact O-N 3.31Å; N84-R87 VanDerWaalsContact O-N 3.16Å; N84-C88 PolarHBondContact O-N 3.26Å; N84-C88 PolarHBondContact O-SG 3.16Å; N84-C88 VanDerWaalsContact O-SG 3.34Å
85	N	96.8	Very high	95.8	Very high	64 Å²	64	64.9 Å²	64.9	34%	0.342	33%	0.33	S	S	.	.	H	α-helix	trans	-59.9	-42.8	177.7	-67.2	-16.7	0	0	0	112.2	L47 I81 T82 C88 L89	L47-N85 HydrophobicContact CD1-CB 3.74Å; L47-N85 HydrophobicContact CD2-CB 4.41Å; I81-N85 VanDerWaalsContact O-CG 3.27Å; I81-N85 PolarHBondContact O-N 3.45Å; I81-N85 PolarHBondContact O-ND2 3.46Å; T82-N85 PolarHBondContact O-N 2.89Å; N85-C88 PolarHBondContact O-N 2.85Å; N85-L89 WeakPolarHBondContact O-CB 3.45Å; N85-L89 WeakPolarHBondContact O-CG 3.43Å; N85-L89 PolarHBondContact O-N 2.76Å
86	I	97.1	Very high	96	Very high	10 Å²	10	62 Å²	62	5%	0.051	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-43.2	176	-69.4	166.6	0	0	0	111	L44 L47 L51 L59 T82 R83 N84 L89 N90	L44-I86 HydrophobicContact CD2-CB 4.36Å; L44-I86 HydrophobicContact CD2-CG1 4.42Å; L44-I86 HydrophobicContact CD2-CG2 3.87Å; L47-I86 HydrophobicContact CB-CD1 3.86Å; L47-I86 HydrophobicContact CB-CG1 3.61Å; L47-I86 HydrophobicContact CD1-CG1 3.92Å; L47-I86 HydrophobicContact CG-CG1 4.41Å; L51-I86 HydrophobicContact CD1-CD1 3.47Å; L51-I86 VanDerWaalsContact CD1-CD1 3.47Å; L51-I86 HydrophobicContact CG-CD1 4.2Å; L59-I86 HydrophobicContact CD1-CG2 3.95Å; L59-I86 HydrophobicContact CD2-CB 4.06Å; L59-I86 HydrophobicContact CD2-CD1 3.79Å; L59-I86 HydrophobicContact CD2-CG2 3.78Å; T82-I86 HydrophobicContact CG2-CD1 4.05Å; T82-I86 WeakPolarHBondContact O-CG1 3.37Å; T82-I86 PolarHBondContact O-N 3.26Å; R83-I86 PolarHBondContact O-N 2.99Å; N84-I86 VanDerWaalsContact C-N 3.34Å; N84-I86 PolarHBondContact O-N 3.47Å; I86-L89 PolarHBondContact O-N 3.44Å; I86-N90 WeakPolarHBondContact CG2-ND2 3.47Å; I86-N90 WeakPolarHBondContact O-CB 3.29Å; I86-N90 VanDerWaalsContact O-CG 3.26Å; I86-N90 PolarHBondContact O-N 3.48Å; I86-N90 PolarHBondContact O-ND2 3.45Å
87	R	96.7	Very high	96.2	Very high	108 Å²	108	65 Å²	65	41%	0.408	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-43.8	177.3	-74.1	-176.2	-174.4	98.5	5.1	112.1	L59 D60 R83 N84 N90 T91	L59-R87 PolarHBondContact O-NH2 2.83Å; D60-R87 IonicContact OD1-NH2 3.82Å; D60-R87 PolarHBondContact OD1-NH2 3.45Å; R83-R87 WeakPolarHBondContact O-CG 3.47Å; R83-R87 PolarHBondContact O-N 2.95Å; N84-R87 PolarHBondContact O-N 3.31Å; N84-R87 VanDerWaalsContact O-N 3.16Å; R87-N90 PolarHBondContact O-N 2.96Å; R87-T91 PolarHBondContact O-N 3.22Å; R87-T91 PolarHBondContact O-OG1 2.93Å
88	C	97.2	Very high	96.4	Very high	60 Å²	60	66.1 Å²	66.1	41%	0.405	33%	0.325	S	S	.	.	H	α-helix	trans	-58.6	-53	174	-65.6	0	0	0	0	110.9	N84 N85 N90 T91 D92	N84-C88 PolarHBondContact O-N 3.26Å; N84-C88 PolarHBondContact O-SG 3.16Å; N84-C88 VanDerWaalsContact O-SG 3.34Å; N85-C88 PolarHBondContact O-N 2.85Å; C88-N90 VanDerWaalsContact C-N 3.34Å; C88-N90 PolarHBondContact O-N 3.09Å; C88-T91 WeakPolarHBondContact O-CA 3.35Å; C88-T91 WeakPolarHBondContact O-CB 3.45Å; C88-T91 PolarHBondContact O-N 2.77Å; C88-D92 PolarHBondContact O-N 2.71Å
89	L	97.8	Very high	96.5	Very high	23 Å²	23	67 Å²	67	12%	0.12	33%	0.327	C	S	.	.	H	α-helix	trans	-62.6	-36.8	-179.6	-72.6	172	0	0	0	113.3	I40 K43 L44 L47 N85 I86 T91 D92 H93	I40-L89 HydrophobicContact CG1-CD2 4.38Å; I40-L89 HydrophobicContact CG2-CB 4.14Å; I40-L89 HydrophobicContact CG2-CD2 4.17Å; K43-L89 HydrophobicContact CB-CD1 3.83Å; K43-L89 HydrophobicContact CD-CD2 4.43Å; L44-L89 HydrophobicContact CD2-CB 3.76Å; L44-L89 HydrophobicContact CD2-CD1 4.37Å; L44-L89 HydrophobicContact CG-CB 4.01Å; L44-L89 HydrophobicContact CG-CD1 4.41Å; L47-L89 HydrophobicContact CD1-CD1 3.5Å; N85-L89 WeakPolarHBondContact O-CB 3.45Å; N85-L89 WeakPolarHBondContact O-CG 3.43Å; N85-L89 PolarHBondContact O-N 2.76Å; I86-L89 PolarHBondContact O-N 3.44Å; L89-T91 VanDerWaalsContact C-N 3.31Å; L89-D92 PolarHBondContact O-N 2.88Å; L89-H93 VanDerWaalsContact O-CB 3.25Å; L89-H93 WeakPolarHBondContact O-CB 3.46Å; L89-H93 PolarHBondContact O-N 3.44Å
90	N	97.2	Very high	96.6	Very high	69 Å²	69	68 Å²	68	37%	0.369	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-37.3	174.1	-78.3	-22.4	0	0	0	111.7	L44 I86 R87 C88 K94	L44-N90 WeakPolarHBondContact CD1-OD1 3.35Å; L44-N90 VanDerWaalsContact CD2-OD1 3.31Å; L44-N90 WeakPolarHBondContact CD2-OD1 3.39Å; I86-N90 WeakPolarHBondContact CG2-ND2 3.47Å; I86-N90 WeakPolarHBondContact O-CB 3.29Å; I86-N90 VanDerWaalsContact O-CG 3.26Å; I86-N90 PolarHBondContact O-N 3.48Å; I86-N90 PolarHBondContact O-ND2 3.45Å; R87-N90 PolarHBondContact O-N 2.96Å; C88-N90 VanDerWaalsContact C-N 3.34Å; C88-N90 PolarHBondContact O-N 3.09Å; N90-K94 WeakPolarHBondContact O-CB 3.25Å; N90-K94 PolarHBondContact O-N 3.03Å
91	T	97.4	Very high	96.7	Very high	84 Å²	84	65.2 Å²	65.2	52%	0.515	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-45.8	175.6	-54.3	0	0	0	0	110.2	R87 C88 L89 K94 Q95	R87-T91 PolarHBondContact O-N 3.22Å; R87-T91 PolarHBondContact O-OG1 2.93Å; C88-T91 WeakPolarHBondContact O-CA 3.35Å; C88-T91 WeakPolarHBondContact O-CB 3.45Å; C88-T91 PolarHBondContact O-N 2.77Å; L89-T91 VanDerWaalsContact C-N 3.31Å; T91-K94 WeakPolarHBondContact O-CB 3.37Å; T91-K94 PolarHBondContact O-N 3.48Å; T91-Q95 WeakPolarHBondContact O-CG 3.4Å; T91-Q95 PolarHBondContact O-N 2.85Å; T91-Q95 VanDerWaalsContact O-N 3.1Å
92	D	97.4	Very high	96.7	Very high	79 Å²	79	63 Å²	63	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-44.3	177.3	-62.7	-21.7	0	0	0	111.6	I40 C88 L89 K94 Q95 I96	I40-D92 HydrophobicContact CD1-CB 4.04Å; C88-D92 PolarHBondContact O-N 2.71Å; L89-D92 PolarHBondContact O-N 2.88Å; D92-K94 VanDerWaalsContact C-N 3.31Å; D92-K94 PolarHBondContact O-N 3.28Å; D92-Q95 WeakPolarHBondContact O-CB 3.22Å; D92-Q95 PolarHBondContact O-N 2.95Å; D92-I96 PolarHBondContact O-N 3.37Å
93	H	97.3	Very high	96.6	Very high	30 Å²	30	63 Å²	63	14%	0.139	32%	0.32	C	S	.	.	H	α-helix	trans	-56.9	-45.1	175.3	-178.6	-98.8	0	0	0	111.4	I40 E41 L89 Q95 I96 M97	I40-H93 HydrophobicContact CG2-CB 3.91Å; E41-H93 IonicContact OE1-CD2 3.19Å; E41-H93 IonicContact OE1-CE1 2.82Å; E41-H93 IonicContact OE1-NE2 2.56Å; E41-H93 PolarHBondContact OE1-NE2 3.36Å; L89-H93 VanDerWaalsContact O-CB 3.25Å; L89-H93 WeakPolarHBondContact O-CB 3.46Å; L89-H93 PolarHBondContact O-N 3.44Å; H93-Q95 VanDerWaalsContact C-N 3.32Å; H93-Q95 PolarHBondContact O-N 3.42Å; H93-I96 PolarHBondContact O-N 3.42Å; H93-M97 PolarHBondContact CE1-SD 3.05Å; H93-M97 WeakPolarHBondContact O-CG 3.47Å; H93-M97 PolarHBondContact O-N 2.98Å
94	K	97.3	Very high	96.5	Very high	127 Å²	127	65.5 Å²	65.5	55%	0.552	33%	0.334	S	S	*	.	H	α-helix	trans	-59.6	-41.2	174.8	-174.7	178.2	179.1	179.1	0	112	N90 T91 D92 M97 L98	N90-K94 WeakPolarHBondContact O-CB 3.25Å; N90-K94 PolarHBondContact O-N 3.03Å; T91-K94 WeakPolarHBondContact O-CB 3.37Å; T91-K94 PolarHBondContact O-N 3.48Å; D92-K94 VanDerWaalsContact C-N 3.31Å; D92-K94 PolarHBondContact O-N 3.28Å; K94-M97 PolarHBondContact O-N 3.11Å; K94-L98 WeakPolarHBondContact O-CG 3.37Å; K94-L98 PolarHBondContact O-N 3.36Å; K94-L98 VanDerWaalsContact O-N 3.16Å
95	Q	97.3	Very high	96.3	Very high	112 Å²	112	66 Å²	66	52%	0.523	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-44.2	176.6	-65.1	-55.7	-50.1	0	0	111.9	T91 D92 H93 M97 L98 E99	T91-Q95 WeakPolarHBondContact O-CG 3.4Å; T91-Q95 PolarHBondContact O-N 2.85Å; T91-Q95 VanDerWaalsContact O-N 3.1Å; D92-Q95 WeakPolarHBondContact O-CB 3.22Å; D92-Q95 PolarHBondContact O-N 2.95Å; H93-Q95 VanDerWaalsContact C-N 3.32Å; H93-Q95 PolarHBondContact O-N 3.42Å; Q95-M97 VanDerWaalsContact C-N 3.33Å; Q95-M97 PolarHBondContact O-N 3.11Å; Q95-L98 PolarHBondContact O-N 2.66Å; Q95-E99 PolarHBondContact O-N 2.73Å
96	I	96.9	Very high	96.1	Very high	19 Å²	19	67.1 Å²	67.1	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-37.8	178.4	-73.9	152.9	0	0	0	111.7	L33 E36 K37 I40 D92 H93 E99 L100	L33-I96 HydrophobicContact CD2-CG2 4.33Å; E36-I96 HydrophobicContact CG-CD1 3.52Å; E36-I96 HydrophobicContact CG-CG1 4.34Å; K37-I96 HydrophobicContact CB-CG2 4.1Å; I40-I96 HydrophobicContact CD1-CD1 3.15Å; I40-I96 HydrophobicContact CG1-CD1 4.47Å; D92-I96 PolarHBondContact O-N 3.37Å; H93-I96 PolarHBondContact O-N 3.42Å; I96-E99 PolarHBondContact O-N 2.97Å; I96-L100 HydrophobicContact CG2-CD1 4.07Å; I96-L100 HydrophobicContact CG2-CG 4.45Å; I96-L100 WeakPolarHBondContact O-CB 3.49Å; I96-L100 WeakPolarHBondContact O-CG 3.39Å; I96-L100 PolarHBondContact O-N 2.94Å
97	M	96.6	Very high	95.8	Very high	85 Å²	85	68.1 Å²	68.1	42%	0.419	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-43	174.4	-72.7	-163.9	-54.6	0	0	112.3	H93 K94 Q95 E99 L100 E101	H93-M97 PolarHBondContact CE1-SD 3.05Å; H93-M97 WeakPolarHBondContact O-CG 3.47Å; H93-M97 PolarHBondContact O-N 2.98Å; K94-M97 PolarHBondContact O-N 3.11Å; Q95-M97 VanDerWaalsContact C-N 3.33Å; Q95-M97 PolarHBondContact O-N 3.11Å; M97-E99 VanDerWaalsContact C-N 3.3Å; M97-E99 PolarHBondContact O-N 3.22Å; M97-L100 WeakPolarHBondContact O-CB 3.45Å; M97-L100 PolarHBondContact O-N 2.88Å; M97-E101 PolarHBondContact O-N 3.44Å
98	L	97	Very high	95.5	Very high	85 Å²	85	68.6 Å²	68.6	45%	0.445	35%	0.347	S	S	.	.	H	α-helix	trans	-63.3	-37.6	175.2	-68.3	170.2	0	0	0	111.6	K94 Q95 S102	K94-L98 WeakPolarHBondContact O-CG 3.37Å; K94-L98 PolarHBondContact O-N 3.36Å; K94-L98 VanDerWaalsContact O-N 3.16Å; Q95-L98 PolarHBondContact O-N 2.66Å; L98-S102 PolarHBondContact O-N 3.4Å; L98-S102 VanDerWaalsContact O-N 3.1Å
99	E	95.8	Very high	95.1	Very high	75 Å²	75	71 Å²	71	35%	0.35	35%	0.352	S	S	.	.	H	α-helix	trans	-68.4	-41.8	175.7	-164.6	177.1	178.2	0	0	112	K29 L33 Q95 I96 M97 E101 S102 V103	K29-E99 WeakPolarHBondContact CE-OE1 3.42Å; K29-E99 IonicContact NZ-OE1 3.8Å; K29-E99 PolarHBondContact NZ-OE1 3.22Å; L33-E99 HydrophobicContact CD1-CB 4.16Å; L33-E99 HydrophobicContact CD1-CG 3.68Å; L33-E99 HydrophobicContact CD2-CB 4.27Å; L33-E99 HydrophobicContact CD2-CG 4.13Å; L33-E99 WeakPolarHBondContact CD2-OE2 3.22Å; Q95-E99 PolarHBondContact O-N 2.73Å; I96-E99 PolarHBondContact O-N 2.97Å; M97-E99 VanDerWaalsContact C-N 3.3Å; M97-E99 PolarHBondContact O-N 3.22Å; E99-E101 VanDerWaalsContact C-N 3.33Å; E99-E101 PolarHBondContact O-N 3.19Å; E99-S102 PolarHBondContact O-N 2.9Å; E99-V103 WeakPolarHBondContact O-CG2 3.37Å; E99-V103 PolarHBondContact O-N 3.07Å
100	L	96	Very high	94.6	Very high	21 Å²	21	72.3 Å²	72.3	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-57.8	-45.2	173.9	-83.7	167.9	0	0	0	111.5	Y30 L33 V34 K37 I96 M97 V103 L104	Y30-L100 HydrophobicContact CD2-CD2 3.77Å; Y30-L100 HydrophobicContact CE2-CD2 3.79Å; L33-L100 HydrophobicContact CB-CD2 3.46Å; L33-L100 VanDerWaalsContact CB-CD2 3.46Å; L33-L100 HydrophobicContact CB-CG 3.76Å; L33-L100 HydrophobicContact CD1-CD2 4.29Å; L33-L100 HydrophobicContact CD1-CG 4.41Å; V34-L100 HydrophobicContact CG2-CD2 3.8Å; K37-L100 HydrophobicContact CB-CD1 4.34Å; K37-L100 HydrophobicContact CD-CD1 4.1Å; I96-L100 HydrophobicContact CG2-CD1 4.07Å; I96-L100 HydrophobicContact CG2-CG 4.45Å; I96-L100 WeakPolarHBondContact O-CB 3.49Å; I96-L100 WeakPolarHBondContact O-CG 3.39Å; I96-L100 PolarHBondContact O-N 2.94Å; M97-L100 WeakPolarHBondContact O-CB 3.45Å; M97-L100 PolarHBondContact O-N 2.88Å; L100-V103 PolarHBondContact O-N 3.39Å; L100-L104 VanDerWaalsContact O-CB 3.29Å; L100-L104 WeakPolarHBondContact O-CB 3.42Å; L100-L104 PolarHBondContact O-N 3.1Å
101	E	95.8	Very high	94	Very high	104 Å²	104	71.5 Å²	71.5	49%	0.486	36%	0.359	S	S	.	.	H	α-helix	trans	-57.3	-49.8	175.1	-179.1	-179.2	-171.1	0	0	110.9	M97 E99 V103 L104 H105	M97-E101 PolarHBondContact O-N 3.44Å; E99-E101 VanDerWaalsContact C-N 3.33Å; E99-E101 PolarHBondContact O-N 3.19Å; E101-V103 VanDerWaalsContact C-N 3.35Å; E101-V103 PolarHBondContact O-N 3.48Å; E101-L104 PolarHBondContact O-N 3.25Å; E101-H105 PolarHBondContact O-CD2 2.93Å; E101-H105 PolarHBondContact O-N 3.3Å; E101-H105 IonicContact OE1-NE2 3.9Å
102	S	95	Very high	93.5	Very high	56 Å²	56	76.2 Å²	76.2	39%	0.392	37%	0.367	S	S	.	.	H	α-helix	trans	-59.6	-42	177.3	-176.5	0	0	0	0	113	L98 E99 K106	L98-S102 PolarHBondContact O-N 3.4Å; L98-S102 VanDerWaalsContact O-N 3.1Å; E99-S102 PolarHBondContact O-N 2.9Å; S102-K106 WeakPolarHBondContact O-CG 3.48Å; S102-K106 PolarHBondContact O-N 3.04Å
103	V	94.1	Very high	92.8	Very high	2 Å²	2	78.8 Å²	78.8	1%	0.012	38%	0.377	C	S	.	.	H	α-helix	trans	-68.3	-40.5	178.3	173.4	0	0	0	0	111	I26 K29 Y30 L33 E99 L100 E101 K106 I107	I26-V103 HydrophobicContact CG2-CG1 3.84Å; K29-V103 HydrophobicContact CD-CG2 3.91Å; K29-V103 HydrophobicContact CG-CG2 4.15Å; Y30-V103 HydrophobicContact CD2-CG1 4.24Å; Y30-V103 HydrophobicContact CG-CG1 4.48Å; L33-V103 HydrophobicContact CD1-CG2 3.84Å; E99-V103 WeakPolarHBondContact O-CG2 3.37Å; E99-V103 PolarHBondContact O-N 3.07Å; L100-V103 PolarHBondContact O-N 3.39Å; E101-V103 VanDerWaalsContact C-N 3.35Å; E101-V103 PolarHBondContact O-N 3.48Å; V103-K106 WeakPolarHBondContact O-CB 3.48Å; V103-K106 PolarHBondContact O-N 2.91Å; V103-I107 HydrophobicContact CG1-CD1 4.26Å; V103-I107 WeakPolarHBondContact O-CG1 3.42Å; V103-I107 PolarHBondContact O-N 2.82Å
104	L	93.6	Very high	91.5	Very high	72 Å²	72	80.5 Å²	80.5	38%	0.377	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-43	177.1	-174.9	61.2	0	0	0	111.3	L100 E101 K106 I107 H108	L100-L104 VanDerWaalsContact O-CB 3.29Å; L100-L104 WeakPolarHBondContact O-CB 3.42Å; L100-L104 PolarHBondContact O-N 3.1Å; E101-L104 PolarHBondContact O-N 3.25Å; L104-K106 VanDerWaalsContact C-N 3.31Å; L104-K106 PolarHBondContact O-N 3.36Å; L104-I107 PolarHBondContact O-N 3.05Å; L104-H108 PolarHBondContact O-CD2 3.45Å; L104-H108 PolarHBondContact O-N 3.48Å
105	H	93	Very high	90.1	Very high	101 Å²	101	79.5 Å²	79.5	47%	0.468	39%	0.394	S	S	.	.	H	α-helix	trans	-55.2	-46.2	172	-80.1	-65.1	0	0	0	111.8	E101 I107 H108 E109	E101-H105 PolarHBondContact O-CD2 2.93Å; E101-H105 PolarHBondContact O-N 3.3Å; E101-H105 IonicContact OE1-NE2 3.9Å; H105-I107 PolarHBondContact O-N 2.96Å; H105-H108 PolarHBondContact O-N 3.13Å; H105-E109 WeakPolarHBondContact O-CG 3.47Å; H105-E109 PolarHBondContact O-N 2.75Å
106	K	92.2	Very high	88.3	Confident	87 Å²	87	79.6 Å²	79.6	38%	0.378	41%	0.406	S	S	.	.	H	α-helix	trans	-58.4	-49.2	175.6	-69.1	170.6	-176	175.8	0	111.2	I26 S102 V103 L104 H108 E109 Y110	I26-K106 HydrophobicContact CG2-CB 4.28Å; S102-K106 WeakPolarHBondContact O-CG 3.48Å; S102-K106 PolarHBondContact O-N 3.04Å; V103-K106 WeakPolarHBondContact O-CB 3.48Å; V103-K106 PolarHBondContact O-N 2.91Å; L104-K106 VanDerWaalsContact C-N 3.31Å; L104-K106 PolarHBondContact O-N 3.36Å; K106-H108 VanDerWaalsContact C-N 3.28Å; K106-H108 PolarHBondContact O-N 2.7Å; K106-E109 WeakPolarHBondContact O-CB 3.36Å; K106-E109 PolarHBondContact O-N 3.44Å; K106-E109 VanDerWaalsContact O-N 3.09Å; K106-Y110 HydrophobicContact CB-CD2 4.48Å; K106-Y110 HydrophobicContact CB-CE2 4.34Å; K106-Y110 WeakPolarHBondContact O-CD2 3.3Å; K106-Y110 PolarHBondContact O-N 2.56Å
107	I	91	Very high	86.3	Confident	32 Å²	32	87.6 Å²	87.6	16%	0.164	44%	0.441	C	S	.	.	H	α-helix	trans	-54.8	-45.3	178.3	-66.9	171.9	0	0	0	111	F23 I26 Y30 V103 L104 H105 Y110 A111	F23-I107 HydrophobicContact CE2-CG2 4.25Å; I26-I107 HydrophobicContact CG2-CD1 4.17Å; I26-I107 HydrophobicContact CG2-CG1 3.46Å; I26-I107 VanDerWaalsContact CG2-CG1 3.46Å; Y30-I107 HydrophobicContact CD2-CD1 4.31Å; Y30-I107 HydrophobicContact CG-CD1 4.18Å; V103-I107 HydrophobicContact CG1-CD1 4.26Å; V103-I107 WeakPolarHBondContact O-CG1 3.42Å; V103-I107 PolarHBondContact O-N 2.82Å; L104-I107 PolarHBondContact O-N 3.05Å; H105-I107 PolarHBondContact O-N 2.96Å; I107-Y110 PolarHBondContact O-N 2.96Å; I107-A111 PolarHBondContact O-N 3.2Å
108	H	89.5	Confident	84	Confident	117 Å²	117	90.3 Å²	90.3	54%	0.542	46%	0.457	S	S	.	.	H	α-helix	trans	-66.6	-38.1	177.1	-76.9	-69.6	0	0	0	113.1	L104 H105 K106 A111 R112	L104-H108 PolarHBondContact O-CD2 3.45Å; L104-H108 PolarHBondContact O-N 3.48Å; H105-H108 PolarHBondContact O-N 3.13Å; K106-H108 VanDerWaalsContact C-N 3.28Å; K106-H108 PolarHBondContact O-N 2.7Å; H108-A111 PolarHBondContact O-N 3.44Å; H108-R112 WeakPolarHBondContact O-CB 3.3Å; H108-R112 PolarHBondContact O-N 3.18Å
109	E	89.8	Confident	81.5	Confident	111 Å²	111	93 Å²	93	52%	0.519	48%	0.476	S	S	.	.	H	α-helix	trans	-62	-44.5	173.2	-73.1	176.6	171.1	0	0	111.7	H105 K106 A111 R112 Q113	H105-E109 WeakPolarHBondContact O-CG 3.47Å; H105-E109 PolarHBondContact O-N 2.75Å; K106-E109 WeakPolarHBondContact O-CB 3.36Å; K106-E109 PolarHBondContact O-N 3.44Å; K106-E109 VanDerWaalsContact O-N 3.09Å; E109-A111 VanDerWaalsContact C-N 3.35Å; E109-A111 PolarHBondContact O-N 2.72Å; E109-R112 PolarHBondContact O-N 3.46Å; E109-Q113 WeakPolarHBondContact O-CG 3.41Å; E109-Q113 PolarHBondContact O-N 3.19Å
110	Y	86	Confident	79.2	Confident	51 Å²	51	96.3 Å²	96.3	20%	0.2	50%	0.496	C	S	.	.	H	α-helix	trans	-61.2	-41.9	174.4	-79.3	-75.6	0	0	0	112	H19 N22 I26 K106 I107 R112 Q113 N114	H19-Y110 AromaticContact CE1-CD1 3.83Å; N22-Y110 WeakPolarHBondContact ND2-CE1 3.26Å; N22-Y110 VanDerWaalsContact ND2-CZ 3.28Å; N22-Y110 PolarHBondContact ND2-OH 3.17Å; I26-Y110 HydrophobicContact CD1-CD2 3.38Å; I26-Y110 HydrophobicContact CD1-CE2 2.97Å; I26-Y110 HydrophobicContact CD1-CG 4.39Å; I26-Y110 HydrophobicContact CG1-CE2 4.45Å; K106-Y110 HydrophobicContact CB-CD2 4.48Å; K106-Y110 HydrophobicContact CB-CE2 4.34Å; K106-Y110 WeakPolarHBondContact O-CD2 3.3Å; K106-Y110 PolarHBondContact O-N 2.56Å; I107-Y110 PolarHBondContact O-N 2.96Å; Y110-R112 VanDerWaalsContact C-N 3.34Å; Y110-Q113 PolarHBondContact O-N 3.31Å; Y110-N114 PolarHBondContact O-N 2.95Å; Y110-N114 VanDerWaalsContact O-N 3.16Å; Y110-N114 PolarHBondContact O-ND2 2.92Å
111	A	85.7	Confident	76.5	Confident	52 Å²	52	101.6 Å²	101.6	43%	0.43	53%	0.529	S	S	.	.	H	α-helix	trans	-65	-37.2	176.4	0	0	0	0	0	112.2	I107 H108 E109 N114	I107-A111 PolarHBondContact O-N 3.2Å; H108-A111 PolarHBondContact O-N 3.44Å; E109-A111 VanDerWaalsContact C-N 3.35Å; E109-A111 PolarHBondContact O-N 2.72Å; A111-N114 CarbonylContact O-C 3.54Å; A111-N114 PolarHBondContact O-N 3.36Å
112	R	85.5	Confident	73.9	Confident	182 Å²	182	103.9 Å²	103.9	69%	0.687	55%	0.545	S	S	*	.	H	α-helix	trans	-69.9	-36.2	177.4	-173.3	178.7	178.3	-164.4	-0.8	112.7	H108 E109 Y110 N114	H108-R112 WeakPolarHBondContact O-CB 3.3Å; H108-R112 PolarHBondContact O-N 3.18Å; E109-R112 PolarHBondContact O-N 3.46Å; Y110-R112 VanDerWaalsContact C-N 3.34Å; R112-N114 VanDerWaalsContact C-N 3.29Å
113	Q	82.6	Confident	71.1	Confident	134 Å²	134	104.9 Å²	104.9	63%	0.626	56%	0.563	S	S	*	*	H	α-helix	trans	-72.1	-24.6	176.2	-69.5	175.8	22.8	0	0	112.6	E109 Y110 P115	E109-Q113 WeakPolarHBondContact O-CG 3.41Å; E109-Q113 PolarHBondContact O-N 3.19Å; Y110-Q113 PolarHBondContact O-N 3.31Å; Q113-P115 VanDerWaalsContact O-CD 3.26Å; Q113-P115 WeakPolarHBondContact O-CD 3.14Å
114	N	70.9	Confident	68.6	Low	65 Å²	65	111.7 Å²	111.7	35%	0.348	60%	0.6	S	S	.	*			trans	-121.2	68	-179.4	-60.2	-84.8	0	0	0	111.9	H19 Y110 A111 R112 S116	H19-N114 PolarHBondContact CE1-ND2 3.25Å; H19-N114 PolarHBondContact NE2-ND2 3.19Å; Y110-N114 PolarHBondContact O-N 2.95Å; Y110-N114 VanDerWaalsContact O-N 3.16Å; Y110-N114 PolarHBondContact O-ND2 2.92Å; A111-N114 CarbonylContact O-C 3.54Å; A111-N114 PolarHBondContact O-N 3.36Å; R112-N114 VanDerWaalsContact C-N 3.29Å; N114-S116 PolarHBondContact O-N 3.36Å
115	P	68.7	Low	66	Low	107 Å²	107	112.8 Å²	112.8	70%	0.695	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-11.9	177.4	26.8	-33.7	0	0	0	113	Q113 K117	Q113-P115 VanDerWaalsContact O-CD 3.26Å; Q113-P115 WeakPolarHBondContact O-CD 3.14Å; P115-K117 PolarHBondContact O-N 3.48Å
116	S	58.1	Low	63.5	Low	113 Å²	113	114 Å²	114	79%	0.79	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	6.3	-168.9	-43.4	0	0	0	0	116.1	N114	N114-S116 PolarHBondContact O-N 3.36Å
117	K	55.5	Low	61.1	Low	188 Å²	188	114.7 Å²	114.7	82%	0.817	65%	0.654	S	S	*	*	S	Bend	trans	-132.5	10.4	-171.4	-98.9	-175.4	-178.1	-179.6	0	118.8	P115	P115-K117 PolarHBondContact O-N 3.48Å
118	N	49	Very low	59.1	Low	141 Å²	141	117.6 Å²	117.6	75%	0.754	68%	0.677	S	S	*	*			trans	-133.6	78	175.6	-94.3	-35.8	0	0	0	113.5
119	V	44.1	Very low	57	Low	142 Å²	142	119.6 Å²	119.6	86%	0.861	69%	0.686	S	S	*	*			trans	-107.7	82.9	150.2	174.4	0	0	0	0	106.3
120	L	48	Very low	54.8	Low	144 Å²	144	122 Å²	122	75%	0.754	70%	0.703	S	S	*	*			trans	-160.4	91.3	158.6	-70.9	-173.1	0	0	0	106.7
121	T	37.9	Very low	52.7	Low	132 Å²	132	128 Å²	128	81%	0.81	73%	0.73	S	S	*	*				55.5	89.4	112.3	62.5	0	0	0	0	114.7
122	D	41.7	Very low	50.9	Low	153 Å²	153	132.6 Å²	132.6	82%	0.818	75%	0.746	S	S	*	*				-148	104	125.7	-155.6	7.9	0	0	0	109.1	N124	D122-N124 PolarHBondContact O-N 2.9Å
123	G	36.1	Very low	49.1	Very low	76 Å²	76	130.7 Å²	130.7	78%	0.784	75%	0.748	S	S	*	*			trans	-80.3	90.3	174.1	0	0	0	0	0	108.5
124	N	41.4	Very low	47.1	Very low	145 Å²	145	131.7 Å²	131.7	78%	0.775	75%	0.753	S	S	*	*			trans	-122.3	85.4	161.1	-128.3	6.5	0	0	0	109.5	D122 C126	D122-N124 PolarHBondContact O-N 2.9Å; N124-C126 PolarHBondContact O-N 3.39Å
125	A	38.8	Very low	45.5	Very low	96 Å²	96	136.4 Å²	136.4	79%	0.793	78%	0.779	S	S	*	*			trans	-61.1	109.6	158.2	0	0	0	0	0	108.3
126	C	40.2	Very low	44.3	Very low	125 Å²	125	140 Å²	140	85%	0.845	79%	0.786	S	S	*	*			trans	-124.8	103.9	153.7	-146.5	0	0	0	0	107.1	N124	N124-C126 PolarHBondContact O-N 3.39Å
127	S	43.5	Very low	43.5	Very low	103 Å²	103	139.8 Å²	139.8	72%	0.72	79%	0.785	S	S	*	*			trans	-47.8	164	169.1	-53.7	0	0	0	0	111.7
128	S	48.3	Very low	42.8	Very low	93 Å²	93	134.8 Å²	134.8	65%	0.65	78%	0.778	S	S	*	*			trans	102.4	113.9	141.5	-105.2	0	0	0	0	117.3
129	E	45.2	Very low	42.6	Very low	158 Å²	158	134.1 Å²	134.1	74%	0.738	77%	0.771	S	S	*	*			trans	68.6	90.4	136.2	27.2	-168	144.3	0	0	118.5
130	N	43	Very low	43	Very low	163 Å²	163	131.9 Å²	131.9	87%	0.872	75%	0.753	S	S	*	*				-173.9	94.2	112	-90.9	-37.6	0	0	0	110.3
131	K	43.2	Very low	43.5	Very low	177 Å²	177	129.9 Å²	129.9	77%	0.77	75%	0.746	S	S	*	*			trans	-100.6	89.5	176.3	-147.1	-168.7	-165	-153.9	0	107.9
132	L	47.9	Very low	44.9	Very low	147 Å²	147	128.3 Å²	128.3	77%	0.77	73%	0.728	S	S	*	*			trans	-142.8	108.4	168	-83.1	178	0	0	0	110.2
133	I	46.4	Very low	47	Very low	142 Å²	142	128.7 Å²	128.7	73%	0.728	72%	0.723	S	S	*	*	S	Bend	trans	93.5	113.4	142	-48.7	157.5	0	0	0	115
134	E	40.5	Very low	49.4	Very low	155 Å²	155	126.3 Å²	126.3	72%	0.724	70%	0.695	S	S	*	*			trans	96.9	54	157.8	-41.3	-165.7	161.5	0	0	121.5	Q136	E134-Q136 PolarHBondContact O-N 2.8Å
135	D	39.1	Very low	51.8	Low	165 Å²	165	120 Å²	120	88%	0.882	66%	0.661	S	S	*	*			trans	-85.5	87.7	152.4	-92.2	-33.8	0	0	0	110.2
136	Q	42.5	Very low	54.3	Low	183 Å²	183	115.5 Å²	115.5	86%	0.855	62%	0.624	S	S	*	*			trans	-107.8	11.1	171.3	-87.4	-166	70.4	0	0	114.1	E134	E134-Q136 PolarHBondContact O-N 2.8Å
137	S	41.2	Very low	56.8	Low	108 Å²	108	113.9 Å²	113.9	76%	0.755	60%	0.602	S	S	*	*			trans	-140.6	51.5	-165.3	51.1	0	0	0	0	115.4
138	A	40.7	Very low	59.1	Low	83 Å²	83	109 Å²	109	69%	0.686	57%	0.568	S	S	*	*			trans	-157.5	77.9	156.4	0	0	0	0	0	111.8	I140	A138-I140 PolarHBondContact O-N 2.89Å
139	Q	44.8	Very low	61.2	Low	127 Å²	127	107.7 Å²	107.7	59%	0.593	55%	0.554	S	S	*	*			trans	-64.1	78.3	161.3	-85.7	175.6	-5.7	0	0	110.3	V141 I209	Q139-V141 PolarHBondContact O-N 2.82Å; Q139-I209 VanDerWaalsContact NE2-CA 3.3Å
140	I	53.9	Low	63.5	Low	94 Å²	94	106.1 Å²	106.1	48%	0.482	55%	0.546	S	S	.	.			trans	-74.5	108.3	149.1	-57.2	167.7	0	0	0	103.7	A138 K142	A138-I140 PolarHBondContact O-N 2.89Å; I140-K142 HydrophobicContact CG2-CG 4.32Å; I140-K142 PolarHBondContact O-N 2.77Å
141	V	57	Low	65.9	Low	103 Å²	103	100.1 Å²	100.1	62%	0.624	51%	0.514	S	S	*	.			trans	-64.5	78.5	-179.1	-161.2	0	0	0	0	108.5	Q139 K143 I208	Q139-V141 PolarHBondContact O-N 2.82Å; V141-K143 PolarHBondContact O-N 3.24Å; V141-I208 HydrophobicContact CG1-CD1 4.4Å; V141-I208 HydrophobicContact CG1-CG2 3.51Å
142	K	68.6	Low	68.1	Low	98 Å²	98	94.8 Å²	94.8	43%	0.426	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-71.8	127	-179.9	-74	-177.3	175.9	-179.4	0	108.1	I140 A144 I169	I140-K142 HydrophobicContact CG2-CG 4.32Å; I140-K142 PolarHBondContact O-N 2.77Å; K142-A144 PolarHBondContact O-N 3.34Å; K142-I169 HydrophobicContact CB-CG2 3.18Å; K142-I169 HydrophobicContact CD-CG2 4Å; K142-I169 HydrophobicContact CG-CG2 4.24Å
143	K	84.4	Confident	70.1	Confident	162 Å²	162	92.4 Å²	92.4	70%	0.704	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-66.5	129.9	-178.9	-177.1	179.8	176.5	-172.8	0	110	V141 A176	V141-K143 PolarHBondContact O-N 3.24Å; K143-A176 HydrophobicContact CB-CB 4.1Å; K143-A176 HydrophobicContact CG-CB 4.49Å; K143-A176 WeakPolarHBondContact O-CB 3.42Å
144	A	87	Confident	72	Confident	25 Å²	25	92.4 Å²	92.4	21%	0.207	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-74.7	139.4	169.5	0	0	0	0	0	110.5	K142 R167 I168 I169 I232	K142-A144 PolarHBondContact O-N 3.34Å; A144-R167 HydrophobicContact CB-CB 3.73Å; A144-I168 WeakPolarHBondContact CA-O 3.48Å; A144-I169 HydrophobicContact CB-CG1 4.22Å; A144-I232 HydrophobicContact CB-CD1 4.42Å
145	F	90.8	Very high	74.3	Confident	14 Å²	14	85.7 Å²	85.7	6%	0.061	46%	0.464	C	S	.	.			trans	-126.9	-12.8	-174.9	65.6	-85.9	0	0	0	113.9	I168 I169 V174 A176 F179 I185 I232	F145-I168 PolarHBondContact N-O 3.03Å; F145-I169 VanDerWaalsContact CE1-O 3.24Å; F145-I169 WeakPolarHBondContact CE1-O 3.43Å; F145-V174 HydrophobicContact CE2-CG1 3.97Å; F145-V174 HydrophobicContact CZ-CG1 3.87Å; F145-A176 HydrophobicContact CB-CB 3.97Å; F145-A176 HydrophobicContact CD1-CB 3.92Å; F145-A176 HydrophobicContact CG-CB 4.24Å; F145-F179 HydrophobicContact CD2-CB 3.68Å; F145-F179 AromaticContact CD2-CD1 3.65Å; F145-F179 HydrophobicContact CD2-CD1 3.65Å; F145-F179 AromaticContact CD2-CD2 3.66Å; F145-F179 HydrophobicContact CD2-CD2 3.66Å; F145-F179 HydrophobicContact CD2-CE1 4.17Å; F145-F179 HydrophobicContact CD2-CE2 4.17Å; F145-F179 AromaticContact CD2-CG 3.35Å; F145-F179 HydrophobicContact CD2-CG 3.35Å; F145-F179 HydrophobicContact CD2-CZ 4.41Å; F145-F179 HydrophobicContact CE2-CB 3.88Å; F145-F179 HydrophobicContact CE2-CD1 4.35Å; F145-F179 AromaticContact CE2-CD2 3.49Å; F145-F179 HydrophobicContact CE2-CD2 3.49Å; F145-F179 VanDerWaalsContact CE2-CD2 3.49Å; F145-F179 HydrophobicContact CE2-CE2 4.08Å; F145-F179 AromaticContact CE2-CG 3.64Å; F145-F179 HydrophobicContact CE2-CG 3.64Å; F145-F179 HydrophobicContact CG-CB 4.34Å; F145-F179 HydrophobicContact CG-CD1 4.48Å; F145-F179 HydrophobicContact CG-CG 4.35Å; F145-I185 HydrophobicContact CE2-CD1 4.21Å; F145-I185 HydrophobicContact CZ-CD1 4.42Å; F145-I232 PolarHBondContact O-N 3.11Å; F145-I232 VanDerWaalsContact O-N 3.14Å
146	L	91.7	Very high	76.6	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.005	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.4	174.7	-70	163.5	0	0	0	110.2	R167 I168 F179 L182 I185 V229 V230 P231 I232	L146-R167 CarbonylContact O-C 3.49Å; L146-R167 VanDerWaalsContact O-CA 3.32Å; L146-R167 WeakPolarHBondContact O-CA 3.42Å; L146-I168 HydrophobicContact CB-CB 4.1Å; L146-I168 HydrophobicContact CB-CD1 4.22Å; L146-I168 HydrophobicContact CB-CG1 4.46Å; L146-I168 PolarHBondContact O-N 3.16Å; L146-F179 HydrophobicContact CD1-CE2 4.21Å; L146-F179 HydrophobicContact CD2-CE1 4.48Å; L146-F179 HydrophobicContact CD2-CE2 4.18Å; L146-F179 HydrophobicContact CD2-CZ 3.79Å; L146-F179 HydrophobicContact CG-CE2 4.38Å; L146-F179 HydrophobicContact CG-CZ 4.3Å; L146-L182 HydrophobicContact CD2-CD2 3.52Å; L146-I185 HydrophobicContact CD1-CD1 3.9Å; L146-I185 HydrophobicContact CD1-CG1 3.89Å; L146-V229 HydrophobicContact CD1-CG2 4.42Å; L146-V229 HydrophobicContact CD2-CB 4.33Å; L146-V229 HydrophobicContact CD2-CG2 4.26Å; L146-V230 CarbonylContact C-O 3.6Å; L146-V230 WeakPolarHBondContact CA-O 3.46Å; L146-P231 HydrophobicContact CD2-CB 4.39Å; L146-I232 WeakPolarHBondContact O-CD1 3.32Å
147	K	92.5	Very high	78.9	Confident	91 Å²	91	70.4 Å²	70.4	40%	0.396	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.7	172.1	-178.4	-177.1	175.6	-170.2	0	109.6	D149 V229 V230 I232	K147-D149 PolarHBondContact O-N 3.38Å; K147-V229 CarbonylContact O-C 3.46Å; K147-V229 VanDerWaalsContact O-CA 3.32Å; K147-V229 WeakPolarHBondContact O-CA 3.47Å; K147-V230 HydrophobicContact CB-CG2 3.99Å; K147-V230 PolarHBondContact N-O 3.11Å; K147-V230 PolarHBondContact O-N 3.35Å; K147-I232 HydrophobicContact CB-CD1 3.94Å; K147-I232 HydrophobicContact CB-CG1 3.81Å
148	I	92.8	Very high	81.2	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	120.3	172.6	-55.8	-175.7	0	0	0	109	I151 L162 G165 D166 I168 V229	I148-I151 HydrophobicContact CG2-CD1 3.99Å; I148-I151 HydrophobicContact CG2-CG1 3.65Å; I148-L162 HydrophobicContact CD1-CB 4.02Å; I148-L162 HydrophobicContact CD1-CD1 4.17Å; I148-L162 HydrophobicContact CD1-CD2 4Å; I148-L162 HydrophobicContact CD1-CG 4.31Å; I148-G165 PolarHBondContact O-N 2.83Å; I148-D166 HydrophobicContact CD1-CB 4.07Å; I148-D166 HydrophobicContact CG1-CB 4.43Å; I148-D166 PolarHBondContact N-O 2.94Å; I148-I168 HydrophobicContact CG1-CD1 4.14Å; I148-I168 HydrophobicContact CG1-CG1 4.27Å; I148-V229 HydrophobicContact CG1-CG1 4.19Å
149	D	92.9	Very high	83.5	Confident	65 Å²	65	72.9 Å²	72.9	35%	0.348	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-40.2	-177.9	-178	62.5	0	0	0	111.8	K147 V164 H228 V230	K147-D149 PolarHBondContact O-N 3.38Å; D149-V164 VanDerWaalsContact O-CG1 3.22Å; D149-V164 WeakPolarHBondContact O-CG1 3.4Å; D149-H228 PolarHBondContact N-O 2.96Å; D149-H228 IonicContact OD2-CE1 2.81Å; D149-H228 IonicContact OD2-ND1 3.62Å; D149-H228 PolarHBondContact OD2-ND1 3.19Å; D149-V230 HydrophobicContact CB-CG1 4.05Å; D149-V230 HydrophobicContact CB-CG2 4.32Å
150	Q	92.6	Very high	85.5	Confident	125 Å²	125	67.8 Å²	67.8	58%	0.584	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.5	177.8	-59.8	-177	5.4	0	0	111.2	H228	Q150-H228 HydrophobicContact CB-CB 3.96Å; Q150-H228 PolarHBondContact N-O 3.27Å; Q150-H228 PolarHBondContact O-N 3.49Å
151	I	92.5	Very high	87.2	Confident	37 Å²	37	67 Å²	67	19%	0.19	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.8	173.9	-61.8	-179.7	0	0	0	107.8	I148 A157 E158 L162 K163 V164	I148-I151 HydrophobicContact CG2-CD1 3.99Å; I148-I151 HydrophobicContact CG2-CG1 3.65Å; I151-A157 HydrophobicContact CG2-CB 4.13Å; I151-E158 HydrophobicContact CG2-CB 3.97Å; I151-L162 HydrophobicContact CD1-CB 3.89Å; I151-L162 WeakPolarHBondContact CD1-O 3.45Å; I151-K163 VanDerWaalsContact CD1-C 3.47Å; I151-V164 HydrophobicContact CB-CG2 4.5Å; I151-V164 HydrophobicContact CG1-CG2 4.21Å
152	S	91.1	Very high	88.8	Confident	65 Å²	65	62.2 Å²	62.2	46%	0.455	32%	0.32	S	S	.	.			trans	-78.1	139.6	177.2	-62.2	0	0	0	0	110.7	S155 G226	S152-S155 WeakPolarHBondContact O-CB 3.25Å; S152-S155 PolarHBondContact O-N 3.04Å; S152-S155 PolarHBondContact O-OG 3.35Å; S152-G226 PolarHBondContact N-O 3.09Å
153	P	89.3	Confident	89.8	Confident	98 Å²	98	62 Å²	62	64%	0.636	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	145.6	175.1	27.8	-34.4	0	0	0	111	S155	P153-S155 PolarHBondContact O-N 3.04Å
154	N	87	Confident	90.2	Very high	142 Å²	142	59 Å²	59	76%	0.759	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	26.8	-175.8	-54.8	-63.8	0	0	0	114.5	E158	N154-E158 WeakPolarHBondContact CA-OE2 3.02Å; N154-E158 PolarHBondContact N-OE2 2.7Å
155	S	88.3	Confident	90.3	Very high	13 Å²	13	59.2 Å²	59.2	9%	0.091	32%	0.32	C	S	.	.	S	Bend	trans	-94.1	164.6	178	66.9	0	0	0	0	113.3	S152 P153 A157 E158 Q159 G226	S152-S155 WeakPolarHBondContact O-CB 3.25Å; S152-S155 PolarHBondContact O-N 3.04Å; S152-S155 PolarHBondContact O-OG 3.35Å; P153-S155 PolarHBondContact O-N 3.04Å; S155-A157 PolarHBondContact O-N 3.49Å; S155-E158 PolarHBondContact O-N 2.91Å; S155-E158 PolarHBondContact OG-N 3.36Å; S155-Q159 WeakPolarHBondContact O-CG 3.37Å; S155-Q159 PolarHBondContact O-N 3.49Å; S155-G226 PolarHBondContact OG-O 2.85Å
156	I	87.9	Confident	90.3	Very high	27 Å²	27	58.8 Å²	58.8	14%	0.138	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-35.8	174.5	-63.4	157.6	0	0	0	110.5	Q159 A160 L216 P219 L225	I156-Q159 PolarHBondContact O-N 2.96Å; I156-A160 VanDerWaalsContact O-CB 3.22Å; I156-A160 WeakPolarHBondContact O-CB 3.33Å; I156-A160 PolarHBondContact O-N 3.21Å; I156-L216 HydrophobicContact CG2-CB 4.23Å; I156-L216 HydrophobicContact CG2-CD2 4.21Å; I156-P219 HydrophobicContact CD1-CB 4.17Å; I156-P219 HydrophobicContact CD1-CG 3.68Å; I156-L225 HydrophobicContact CB-CD2 4.38Å; I156-L225 HydrophobicContact CD1-CD2 4.27Å; I156-L225 HydrophobicContact CG2-CD2 4.12Å
157	A	90.1	Very high	90.3	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-45	175.6	0	0	0	0	0	112.1	I151 S155 A160 L162 L225 M227	I151-A157 HydrophobicContact CG2-CB 4.13Å; S155-A157 PolarHBondContact O-N 3.49Å; A157-A160 PolarHBondContact O-N 3.38Å; A157-L162 HydrophobicContact CB-CB 4.48Å; A157-L162 HydrophobicContact CB-CD1 4Å; A157-L162 VanDerWaalsContact O-CB 3.31Å; A157-L162 WeakPolarHBondContact O-CB 3.43Å; A157-L162 PolarHBondContact O-N 3.37Å; A157-L225 WeakPolarHBondContact CB-O 3.43Å; A157-L225 PolarHBondContact N-O 2.83Å; A157-M227 HydrophobicContact CB-CB 3.91Å; A157-M227 HydrophobicContact CB-CE 3.71Å
158	E	90	Very high	90.2	Very high	89 Å²	89	58.8 Å²	58.8	42%	0.416	32%	0.315	S	S	.	.	H	α-helix	trans	-67	-43.9	176.9	-174.8	178.4	-123.1	0	0	111.8	I151 N154 S155 A160 D161	I151-E158 HydrophobicContact CG2-CB 3.97Å; N154-E158 WeakPolarHBondContact CA-OE2 3.02Å; N154-E158 PolarHBondContact N-OE2 2.7Å; S155-E158 PolarHBondContact O-N 2.91Å; S155-E158 PolarHBondContact OG-N 3.36Å; E158-A160 PolarHBondContact O-N 3.11Å; E158-D161 PolarHBondContact O-N 2.99Å
159	Q	89.3	Confident	90.1	Very high	154 Å²	154	59 Å²	59	72%	0.72	32%	0.317	S	S	*	.	H	α-helix	trans	-61.3	-30.3	176.8	-71.2	174.4	0.3	0	0	112.8	S155 I156 D161	S155-Q159 WeakPolarHBondContact O-CG 3.37Å; S155-Q159 PolarHBondContact O-N 3.49Å; I156-Q159 PolarHBondContact O-N 2.96Å; Q159-D161 PolarHBondContact O-N 3.48Å
160	A	86.5	Confident	89.9	Confident	20 Å²	20	57.8 Å²	57.8	17%	0.165	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	12.2	176.6	0	0	0	0	0	113.8	I156 A157 E158 L162 I214 L216	I156-A160 VanDerWaalsContact O-CB 3.22Å; I156-A160 WeakPolarHBondContact O-CB 3.33Å; I156-A160 PolarHBondContact O-N 3.21Å; A157-A160 PolarHBondContact O-N 3.38Å; E158-A160 PolarHBondContact O-N 3.11Å; A160-L162 VanDerWaalsContact C-N 3.27Å; A160-L162 PolarHBondContact O-N 3.36Å; A160-I214 HydrophobicContact CB-CG2 3.61Å; A160-I214 VanDerWaalsContact O-CG2 3.28Å; A160-I214 WeakPolarHBondContact O-CG2 3.45Å; A160-L216 HydrophobicContact CB-CD2 3.34Å
161	D	89.4	Confident	89.8	Confident	77 Å²	77	52 Å²	52	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	28.4	-178.4	-164.7	53.3	0	0	0	114.9	E158 Q159 K163 R204	E158-D161 PolarHBondContact O-N 2.99Å; Q159-D161 PolarHBondContact O-N 3.48Å; D161-K163 WeakPolarHBondContact OD1-CE 3.49Å; D161-K163 IonicContact OD1-NZ 2.77Å; D161-K163 PolarHBondContact OD1-NZ 3.48Å; D161-R204 PolarHBondContact O-NH2 3.11Å; D161-R204 IonicContact OD2-CZ 3.75Å; D161-R204 IonicContact OD2-NH1 3.65Å; D161-R204 PolarHBondContact OD2-NH1 2.83Å; D161-R204 VanDerWaalsContact OD2-NH1 3.09Å; D161-R204 IonicContact OD2-NH2 2.83Å
162	L	90	Very high	89.5	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	28%	0.282	C	S	.	.			trans	-70.2	144	167.8	-65.7	171.9	0	0	0	110	I148 I151 A157 A160 I202 I214 L216 M227	I148-L162 HydrophobicContact CD1-CB 4.02Å; I148-L162 HydrophobicContact CD1-CD1 4.17Å; I148-L162 HydrophobicContact CD1-CD2 4Å; I148-L162 HydrophobicContact CD1-CG 4.31Å; I151-L162 HydrophobicContact CD1-CB 3.89Å; I151-L162 WeakPolarHBondContact CD1-O 3.45Å; A157-L162 HydrophobicContact CB-CB 4.48Å; A157-L162 HydrophobicContact CB-CD1 4Å; A157-L162 VanDerWaalsContact O-CB 3.31Å; A157-L162 WeakPolarHBondContact O-CB 3.43Å; A157-L162 PolarHBondContact O-N 3.37Å; A160-L162 VanDerWaalsContact C-N 3.27Å; A160-L162 PolarHBondContact O-N 3.36Å; L162-I202 HydrophobicContact CD2-CD1 3.92Å; L162-I202 HydrophobicContact CD2-CG2 3.96Å; L162-I214 HydrophobicContact CD2-CD1 3.45Å; L162-I214 VanDerWaalsContact CD2-CD1 3.45Å; L162-I214 HydrophobicContact CD2-CG2 4.5Å; L162-I214 HydrophobicContact CG-CD1 4.22Å; L162-L216 HydrophobicContact CD1-CD1 4.45Å; L162-L216 HydrophobicContact CD1-CD2 3.94Å; L162-M227 HydrophobicContact CD1-CE 3.21Å; L162-M227 HydrophobicContact CD1-SD 4.28Å
163	K	90.4	Very high	89.3	Confident	95 Å²	95	52.2 Å²	52.2	41%	0.413	29%	0.289	S	S	.	.			trans	-123.2	153.7	178.1	-57.6	-62.2	177.7	-153.2	0	111.2	I151 D161 G165 D166	I151-K163 VanDerWaalsContact CD1-C 3.47Å; D161-K163 WeakPolarHBondContact OD1-CE 3.49Å; D161-K163 IonicContact OD1-NZ 2.77Å; D161-K163 PolarHBondContact OD1-NZ 3.48Å; K163-G165 PolarHBondContact O-N 2.94Å; K163-D166 PolarHBondContact N-OD2 3.18Å; K163-D166 WeakPolarHBondContact O-CB 3.34Å; K163-D166 PolarHBondContact O-N 3.44Å
164	V	92.3	Very high	89.2	Confident	97 Å²	97	47.7 Å²	47.7	59%	0.588	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	130	170.6	175.1	0	0	0	0	109	D149 I151	D149-V164 VanDerWaalsContact O-CG1 3.22Å; D149-V164 WeakPolarHBondContact O-CG1 3.4Å; I151-V164 HydrophobicContact CB-CG2 4.5Å; I151-V164 HydrophobicContact CG1-CG2 4.21Å
165	G	89.7	Confident	89.4	Confident	31 Å²	31	42.1 Å²	42.1	32%	0.32	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	-10.3	-177	0	0	0	0	0	115.3	I148 K163	I148-G165 PolarHBondContact O-N 2.83Å; K163-G165 PolarHBondContact O-N 2.94Å
166	D	90.8	Very high	89.3	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-62.1	138.6	174.2	-73	-21.8	0	0	0	110.3	I148 K163 I202 R204	I148-D166 HydrophobicContact CD1-CB 4.07Å; I148-D166 HydrophobicContact CG1-CB 4.43Å; I148-D166 PolarHBondContact N-O 2.94Å; K163-D166 PolarHBondContact N-OD2 3.18Å; K163-D166 WeakPolarHBondContact O-CB 3.34Å; K163-D166 PolarHBondContact O-N 3.44Å; D166-I202 HydrophobicContact CB-CB 4.49Å; D166-I202 HydrophobicContact CB-CD1 3.87Å; D166-I202 WeakPolarHBondContact OD2-CD1 3.35Å; D166-R204 WeakPolarHBondContact OD1-CG 3.46Å; D166-R204 IonicContact OD1-CZ 3.97Å; D166-R204 IonicContact OD1-NE 3.09Å; D166-R204 PolarHBondContact OD1-NE 3.35Å; D166-R204 IonicContact OD1-NH2 3.05Å; D166-R204 IonicContact OD2-CZ 3.19Å; D166-R204 IonicContact OD2-NE 3.91Å; D166-R204 IonicContact OD2-NH2 3.54Å; D166-R204 PolarHBondContact OD2-NH2 3.43Å
167	R	90.9	Very high	89.2	Confident	90 Å²	90	49.4 Å²	49.4	34%	0.34	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.4	178.3	-50.1	178.3	-178	157.7	7.6	109.8	A144 L146 I202 S203 D206 I232	A144-R167 HydrophobicContact CB-CB 3.73Å; L146-R167 CarbonylContact O-C 3.49Å; L146-R167 VanDerWaalsContact O-CA 3.32Å; L146-R167 WeakPolarHBondContact O-CA 3.42Å; R167-I202 CarbonylContact O-C 3.44Å; R167-I202 WeakPolarHBondContact O-CA 3.47Å; R167-S203 PolarHBondContact N-O 3.02Å; R167-S203 PolarHBondContact O-N 3Å; R167-D206 IonicContact CZ-OD1 2.89Å; R167-D206 IonicContact NH1-OD1 3.61Å; R167-D206 IonicContact NH2-OD1 3.86Å; R167-D206 PolarHBondContact NH2-OD1 3.47Å; R167-I232 HydrophobicContact CB-CD1 4.16Å; R167-I232 HydrophobicContact CG-CD1 4.09Å
168	I	90.6	Very high	89	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.4	-177.8	-53.9	171	0	0	0	109.3	A144 F145 L146 I148 F171 V200 I202 V229	A144-I168 WeakPolarHBondContact CA-O 3.48Å; F145-I168 PolarHBondContact N-O 3.03Å; L146-I168 HydrophobicContact CB-CB 4.1Å; L146-I168 HydrophobicContact CB-CD1 4.22Å; L146-I168 HydrophobicContact CB-CG1 4.46Å; L146-I168 PolarHBondContact O-N 3.16Å; I148-I168 HydrophobicContact CG1-CD1 4.14Å; I148-I168 HydrophobicContact CG1-CG1 4.27Å; I168-F171 HydrophobicContact CG2-CB 4.27Å; I168-V200 HydrophobicContact CG2-CG1 3.94Å; I168-I202 HydrophobicContact CG1-CG2 4.1Å; I168-V229 HydrophobicContact CD1-CG1 3.74Å
169	I	90.3	Very high	88.8	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-35.5	179.7	-62	175.9	0	0	0	110.8	K142 A144 F145 S201 V211	K142-I169 HydrophobicContact CB-CG2 3.18Å; K142-I169 HydrophobicContact CD-CG2 4Å; K142-I169 HydrophobicContact CG-CG2 4.24Å; A144-I169 HydrophobicContact CB-CG1 4.22Å; F145-I169 VanDerWaalsContact CE1-O 3.24Å; F145-I169 WeakPolarHBondContact CE1-O 3.43Å; I169-S201 WeakPolarHBondContact CB-O 3.46Å; I169-S201 PolarHBondContact N-O 3.29Å; I169-V211 HydrophobicContact CD1-CB 4.4Å; I169-V211 HydrophobicContact CD1-CG1 4.05Å; I169-V211 HydrophobicContact CD1-CG2 3.64Å
170	Q	89.9	Confident	88.7	Confident	40 Å²	40	50.9 Å²	50.9	19%	0.187	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	137.6	178.7	-176.8	175	-25.9	0	0	109.4	G172 V174 V200 S201	Q170-G172 PolarHBondContact NE2-O 2.92Å; Q170-V174 CarbonylContact C-O 3.53Å; Q170-V174 WeakPolarHBondContact CA-O 3.33Å; Q170-V200 CarbonylContact O-C 3.57Å; Q170-V200 WeakPolarHBondContact O-CA 3.44Å; Q170-V200 WeakPolarHBondContact O-CG1 3.31Å; Q170-S201 PolarHBondContact N-O 3.4Å; Q170-S201 PolarHBondContact O-N 3.46Å
171	F	89.4	Confident	88.8	Confident	3 Å²	3	51.9 Å²	51.9	1%	0.013	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	104.7	173.6	-176.2	-85.5	0	0	0	109.2	I168 S173 V174 I185 V188 I198 V200 L216 L225	I168-F171 HydrophobicContact CG2-CB 4.27Å; F171-S173 PolarHBondContact O-N 3.28Å; F171-S173 VanDerWaalsContact O-N 3.07Å; F171-V174 PolarHBondContact N-O 3.04Å; F171-V174 PolarHBondContact O-N 3.45Å; F171-I185 HydrophobicContact CB-CD1 3.74Å; F171-I185 HydrophobicContact CD1-CD1 3.88Å; F171-I185 HydrophobicContact CD1-CG2 3.8Å; F171-I185 HydrophobicContact CD2-CG2 4.44Å; F171-I185 HydrophobicContact CE1-CG2 3.69Å; F171-I185 HydrophobicContact CE2-CG2 4.35Å; F171-I185 HydrophobicContact CG-CD1 3.93Å; F171-I185 HydrophobicContact CG-CG2 4.19Å; F171-I185 HydrophobicContact CZ-CG2 3.98Å; F171-V188 HydrophobicContact CD1-CB 4.45Å; F171-V188 HydrophobicContact CD1-CG1 4.17Å; F171-V188 HydrophobicContact CE1-CB 4.35Å; F171-V188 HydrophobicContact CE1-CG1 4.08Å; F171-I198 HydrophobicContact CD1-CG2 4.36Å; F171-I198 HydrophobicContact CE1-CG2 3.92Å; F171-I198 HydrophobicContact CE2-CG2 4.25Å; F171-I198 HydrophobicContact CZ-CD1 4.49Å; F171-I198 HydrophobicContact CZ-CG2 3.86Å; F171-V200 HydrophobicContact CD2-CG1 4.19Å; F171-V200 HydrophobicContact CD2-CG2 3.51Å; F171-V200 HydrophobicContact CE2-CG2 3.78Å; F171-V200 HydrophobicContact CG-CG2 4.35Å; F171-L216 HydrophobicContact CE2-CD1 4.09Å; F171-L225 HydrophobicContact CE2-CD1 3.96Å; F171-L225 HydrophobicContact CZ-CD1 3.73Å
172	G	86.6	Confident	88.7	Confident	20 Å²	20	51.8 Å²	51.8	21%	0.206	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	-114.4	-172.1	0	0	0	0	0	111	Q170 H199	Q170-G172 PolarHBondContact NE2-O 2.92Å; G172-H199 WeakPolarHBondContact CA-O 3.33Å; G172-H199 PolarHBondContact N-O 3.03Å
173	S	85.8	Confident	88.5	Confident	86 Å²	86	58.4 Å²	58.4	60%	0.601	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-7	176.9	50.8	0	0	0	0	114.7	F171 V188	F171-S173 PolarHBondContact O-N 3.28Å; F171-S173 VanDerWaalsContact O-N 3.07Å; S173-V188 VanDerWaalsContact OG-CG2 3.29Å; S173-V188 WeakPolarHBondContact OG-CG2 3.43Å
174	V	89.1	Confident	88.4	Confident	4 Å²	4	56 Å²	56	2%	0.024	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.8	-179.8	176.2	0	0	0	0	109.7	F145 Q170 F171 F179 D184 I185 V188	F145-V174 HydrophobicContact CE2-CG1 3.97Å; F145-V174 HydrophobicContact CZ-CG1 3.87Å; Q170-V174 CarbonylContact C-O 3.53Å; Q170-V174 WeakPolarHBondContact CA-O 3.33Å; F171-V174 PolarHBondContact N-O 3.04Å; F171-V174 PolarHBondContact O-N 3.45Å; V174-F179 HydrophobicContact CG1-CB 4.04Å; V174-F179 HydrophobicContact CG1-CD2 4.05Å; V174-D184 HydrophobicContact CG2-CB 4.12Å; V174-I185 HydrophobicContact CB-CD1 3.98Å; V174-I185 HydrophobicContact CG1-CD1 3.77Å; V174-I185 HydrophobicContact CG2-CD1 4.43Å; V174-V188 HydrophobicContact CG2-CG2 3.52Å
175	S	89.7	Confident	88.1	Confident	24 Å²	24	52.3 Å²	52.3	17%	0.168	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	173.7	172.8	-59	0	0	0	0	108.9	D177 N178 F179	S175-D177 PolarHBondContact O-N 3.39Å; S175-N178 PolarHBondContact O-N 2.88Å; S175-F179 PolarHBondContact O-N 3Å; S175-F179 VanDerWaalsContact O-N 3.16Å
176	A	86.6	Confident	87.9	Confident	30 Å²	30	53.6 Å²	53.6	25%	0.248	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-53.7	-29.7	178	0	0	0	0	0	113.7	K143 F145 N178	K143-A176 HydrophobicContact CB-CB 4.1Å; K143-A176 HydrophobicContact CG-CB 4.49Å; K143-A176 WeakPolarHBondContact O-CB 3.42Å; F145-A176 HydrophobicContact CB-CB 3.97Å; F145-A176 HydrophobicContact CD1-CB 3.92Å; F145-A176 HydrophobicContact CG-CB 4.24Å; A176-N178 VanDerWaalsContact C-N 3.33Å; A176-N178 PolarHBondContact O-N 3.31Å
177	D	85.1	Confident	87.7	Confident	163 Å²	163	56.5 Å²	56.5	87%	0.872	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-73.2	-23.2	-179.5	-51.7	-46.6	0	0	0	113.6	S175	S175-D177 PolarHBondContact O-N 3.39Å
178	N	86.1	Confident	87.4	Confident	106 Å²	106	53.1 Å²	53.1	57%	0.567	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-121.7	15.4	-174.8	-167.3	26.7	0	0	0	112.6	S175 A176	S175-N178 PolarHBondContact O-N 2.88Å; A176-N178 VanDerWaalsContact C-N 3.33Å; A176-N178 PolarHBondContact O-N 3.31Å
179	F	86.6	Confident	87.1	Confident	43 Å²	43	54.7 Å²	54.7	19%	0.189	32%	0.315	C	S	.	.			trans	-95.6	114.2	-180	177.1	-102.5	0	0	0	110.1	F145 L146 V174 S175 S181 L182 I185 P231	F145-F179 HydrophobicContact CD2-CB 3.68Å; F145-F179 AromaticContact CD2-CD1 3.65Å; F145-F179 HydrophobicContact CD2-CD1 3.65Å; F145-F179 AromaticContact CD2-CD2 3.66Å; F145-F179 HydrophobicContact CD2-CD2 3.66Å; F145-F179 HydrophobicContact CD2-CE1 4.17Å; F145-F179 HydrophobicContact CD2-CE2 4.17Å; F145-F179 AromaticContact CD2-CG 3.35Å; F145-F179 HydrophobicContact CD2-CG 3.35Å; F145-F179 HydrophobicContact CD2-CZ 4.41Å; F145-F179 HydrophobicContact CE2-CB 3.88Å; F145-F179 HydrophobicContact CE2-CD1 4.35Å; F145-F179 AromaticContact CE2-CD2 3.49Å; F145-F179 HydrophobicContact CE2-CD2 3.49Å; F145-F179 VanDerWaalsContact CE2-CD2 3.49Å; F145-F179 HydrophobicContact CE2-CE2 4.08Å; F145-F179 AromaticContact CE2-CG 3.64Å; F145-F179 HydrophobicContact CE2-CG 3.64Å; F145-F179 HydrophobicContact CG-CB 4.34Å; F145-F179 HydrophobicContact CG-CD1 4.48Å; F145-F179 HydrophobicContact CG-CG 4.35Å; L146-F179 HydrophobicContact CD1-CE2 4.21Å; L146-F179 HydrophobicContact CD2-CE1 4.48Å; L146-F179 HydrophobicContact CD2-CE2 4.18Å; L146-F179 HydrophobicContact CD2-CZ 3.79Å; L146-F179 HydrophobicContact CG-CE2 4.38Å; L146-F179 HydrophobicContact CG-CZ 4.3Å; V174-F179 HydrophobicContact CG1-CB 4.04Å; V174-F179 HydrophobicContact CG1-CD2 4.05Å; S175-F179 PolarHBondContact O-N 3Å; S175-F179 VanDerWaalsContact O-N 3.16Å; F179-S181 WeakPolarHBondContact CE2-O 3.37Å; F179-L182 HydrophobicContact CE2-CD2 4.32Å; F179-L182 HydrophobicContact CZ-CD2 4.06Å; F179-I185 HydrophobicContact CD2-CG1 4.5Å; F179-I185 HydrophobicContact CE2-CG1 4.17Å; F179-P231 HydrophobicContact CE1-CB 4.23Å; F179-P231 HydrophobicContact CZ-CB 4.5Å
180	T	86.1	Confident	86.8	Confident	125 Å²	125	63.6 Å²	63.6	77%	0.767	35%	0.349	S	S	*	.			trans	-106.1	-45.4	174.8	-53.5	0	0	0	0	110.8	D184	T180-D184 PolarHBondContact N-OD2 3.22Å
181	S	88.5	Confident	86.6	Confident	41 Å²	41	68 Å²	68	29%	0.287	37%	0.374	S	S	.	.	S	Bend	trans	-149.8	165.8	-179.5	77.1	0	0	0	0	112.2	F179 Q183 D184	F179-S181 WeakPolarHBondContact CE2-O 3.37Å; S181-Q183 PolarHBondContact O-N 2.96Å; S181-Q183 WeakPolarHBondContact OG-CB 3.37Å; S181-Q183 PolarHBondContact OG-N 3.43Å; S181-D184 PolarHBondContact N-OD2 3.48Å; S181-D184 WeakPolarHBondContact O-CB 3.42Å; S181-D184 PolarHBondContact O-N 2.98Å
182	L	87.3	Confident	86.3	Confident	76 Å²	76	69.5 Å²	69.5	40%	0.398	38%	0.383	S	S	.	.	H	α-helix	trans	-58.7	-14.5	174.6	-64.4	177.5	0	0	0	113.7	L146 F179 D184 S186 V229	L146-L182 HydrophobicContact CD2-CD2 3.52Å; F179-L182 HydrophobicContact CE2-CD2 4.32Å; F179-L182 HydrophobicContact CZ-CD2 4.06Å; L182-D184 VanDerWaalsContact C-N 3.27Å; L182-D184 PolarHBondContact O-N 3.21Å; L182-S186 PolarHBondContact O-N 3.41Å; L182-S186 PolarHBondContact O-OG 3.34Å; L182-V229 HydrophobicContact CD2-CG2 4.05Å
183	Q	86.8	Confident	86.1	Confident	142 Å²	142	71.8 Å²	71.8	66%	0.664	40%	0.396	S	S	*	.	H	α-helix	trans	-67.6	-27.8	174.3	-57.7	-176.1	3.3	0	0	112.1	S181 S186 T187	S181-Q183 PolarHBondContact O-N 2.96Å; S181-Q183 WeakPolarHBondContact OG-CB 3.37Å; S181-Q183 PolarHBondContact OG-N 3.43Å; Q183-S186 WeakPolarHBondContact O-CB 3.3Å; Q183-S186 PolarHBondContact O-N 2.67Å; Q183-T187 WeakPolarHBondContact O-CB 3.36Å; Q183-T187 PolarHBondContact O-N 3.27Å; Q183-T187 PolarHBondContact O-OG1 3.36Å
184	D	87.2	Confident	85.9	Confident	44 Å²	44	71.6 Å²	71.6	24%	0.235	39%	0.392	C	S	.	.	H	α-helix	trans	-66.1	-44	-179.2	-58.3	-30	0	0	0	110.4	V174 T180 S181 L182 S186 T187 V188	V174-D184 HydrophobicContact CG2-CB 4.12Å; T180-D184 PolarHBondContact N-OD2 3.22Å; S181-D184 PolarHBondContact N-OD2 3.48Å; S181-D184 WeakPolarHBondContact O-CB 3.42Å; S181-D184 PolarHBondContact O-N 2.98Å; L182-D184 VanDerWaalsContact C-N 3.27Å; L182-D184 PolarHBondContact O-N 3.21Å; D184-S186 VanDerWaalsContact C-N 3.33Å; D184-S186 PolarHBondContact O-N 2.89Å; D184-T187 WeakPolarHBondContact O-CB 3.26Å; D184-T187 PolarHBondContact O-N 3.21Å; D184-T187 VanDerWaalsContact O-N 3.16Å; D184-V188 WeakPolarHBondContact O-CG2 3.27Å; D184-V188 PolarHBondContact O-N 3.08Å
185	I	87.7	Confident	85.6	Confident	20 Å²	20	73.8 Å²	73.8	10%	0.103	42%	0.416	C	S	.	.	H	α-helix	trans	-59.8	-45.1	173.8	-56.7	-60.6	0	0	0	110.9	F145 L146 F171 V174 F179 T187 V188 F189	F145-I185 HydrophobicContact CE2-CD1 4.21Å; F145-I185 HydrophobicContact CZ-CD1 4.42Å; L146-I185 HydrophobicContact CD1-CD1 3.9Å; L146-I185 HydrophobicContact CD1-CG1 3.89Å; F171-I185 HydrophobicContact CB-CD1 3.74Å; F171-I185 HydrophobicContact CD1-CD1 3.88Å; F171-I185 HydrophobicContact CD1-CG2 3.8Å; F171-I185 HydrophobicContact CD2-CG2 4.44Å; F171-I185 HydrophobicContact CE1-CG2 3.69Å; F171-I185 HydrophobicContact CE2-CG2 4.35Å; F171-I185 HydrophobicContact CG-CD1 3.93Å; F171-I185 HydrophobicContact CG-CG2 4.19Å; F171-I185 HydrophobicContact CZ-CG2 3.98Å; V174-I185 HydrophobicContact CB-CD1 3.98Å; V174-I185 HydrophobicContact CG1-CD1 3.77Å; V174-I185 HydrophobicContact CG2-CD1 4.43Å; F179-I185 HydrophobicContact CD2-CG1 4.5Å; F179-I185 HydrophobicContact CE2-CG1 4.17Å; I185-T187 VanDerWaalsContact C-N 3.28Å; I185-T187 PolarHBondContact O-N 3.46Å; I185-V188 PolarHBondContact O-N 2.96Å; I185-F189 WeakPolarHBondContact O-CB 3.39Å; I185-F189 PolarHBondContact O-N 2.83Å
186	S	84.9	Confident	85.3	Confident	58 Å²	58	74.5 Å²	74.5	41%	0.406	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-36.4	177.6	-58.7	0	0	0	0	111.8	L182 Q183 D184 F189 R190	L182-S186 PolarHBondContact O-N 3.41Å; L182-S186 PolarHBondContact O-OG 3.34Å; Q183-S186 WeakPolarHBondContact O-CB 3.3Å; Q183-S186 PolarHBondContact O-N 2.67Å; D184-S186 VanDerWaalsContact C-N 3.33Å; D184-S186 PolarHBondContact O-N 2.89Å; S186-F189 PolarHBondContact O-N 3.41Å; S186-R190 WeakPolarHBondContact O-CB 3.49Å; S186-R190 VanDerWaalsContact O-CG 3.25Å; S186-R190 WeakPolarHBondContact O-CG 3.44Å; S186-R190 PolarHBondContact O-N 3.01Å
187	T	86.3	Confident	85.3	Confident	65 Å²	65	80.6 Å²	80.6	40%	0.399	44%	0.439	S	S	.	.	H	α-helix	trans	-69.7	-44.7	178.7	-58.9	0	0	0	0	111	Q183 D184 I185 F189 R190 N191	Q183-T187 WeakPolarHBondContact O-CB 3.36Å; Q183-T187 PolarHBondContact O-N 3.27Å; Q183-T187 PolarHBondContact O-OG1 3.36Å; D184-T187 WeakPolarHBondContact O-CB 3.26Å; D184-T187 PolarHBondContact O-N 3.21Å; D184-T187 VanDerWaalsContact O-N 3.16Å; I185-T187 VanDerWaalsContact C-N 3.28Å; I185-T187 PolarHBondContact O-N 3.46Å; T187-F189 VanDerWaalsContact C-N 3.32Å; T187-F189 PolarHBondContact O-N 3.15Å; T187-R190 PolarHBondContact O-N 3.41Å; T187-N191 WeakPolarHBondContact O-CB 3.27Å; T187-N191 VanDerWaalsContact O-CG 3.24Å; T187-N191 PolarHBondContact O-N 3.29Å
188	V	85	Confident	85.5	Confident	18 Å²	18	73.1 Å²	73.1	11%	0.109	40%	0.398	C	S	.	.	H	α-helix	trans	-59	-45.1	172.8	172.6	0	0	0	0	111.1	F171 S173 V174 D184 I185 R190 N191 T192	F171-V188 HydrophobicContact CD1-CB 4.45Å; F171-V188 HydrophobicContact CD1-CG1 4.17Å; F171-V188 HydrophobicContact CE1-CB 4.35Å; F171-V188 HydrophobicContact CE1-CG1 4.08Å; S173-V188 VanDerWaalsContact OG-CG2 3.29Å; S173-V188 WeakPolarHBondContact OG-CG2 3.43Å; V174-V188 HydrophobicContact CG2-CG2 3.52Å; D184-V188 WeakPolarHBondContact O-CG2 3.27Å; D184-V188 PolarHBondContact O-N 3.08Å; I185-V188 PolarHBondContact O-N 2.96Å; V188-R190 VanDerWaalsContact C-N 3.35Å; V188-R190 PolarHBondContact O-N 2.89Å; V188-N191 PolarHBondContact O-N 2.7Å; V188-T192 PolarHBondContact O-N 3.47Å; V188-T192 VanDerWaalsContact O-N 3.09Å; V188-T192 PolarHBondContact O-OG1 2.75Å
189	F	84.3	Confident	85.6	Confident	35 Å²	35	71 Å²	71	15%	0.154	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-44.6	176.8	-178.8	-103.1	0	0	0	111.5	I185 S186 T187 I198 K218 V223 L225	I185-F189 WeakPolarHBondContact O-CB 3.39Å; I185-F189 PolarHBondContact O-N 2.83Å; S186-F189 PolarHBondContact O-N 3.41Å; T187-F189 VanDerWaalsContact C-N 3.32Å; T187-F189 PolarHBondContact O-N 3.15Å; F189-I198 HydrophobicContact CD2-CD1 3.52Å; F189-I198 HydrophobicContact CE2-CD1 4.13Å; F189-I198 HydrophobicContact CG-CD1 4.5Å; F189-K218 HydrophobicContact CE2-CD 4.41Å; F189-K218 HydrophobicContact CE2-CG 4.04Å; F189-K218 HydrophobicContact CZ-CG 4.26Å; F189-K218 WeakPolarHBondContact O-CE 3.28Å; F189-K218 PolarHBondContact O-NZ 3.48Å; F189-V223 WeakPolarHBondContact CZ-O 3.11Å; F189-L225 HydrophobicContact CD2-CD1 3.78Å; F189-L225 HydrophobicContact CD2-CD2 4.22Å; F189-L225 HydrophobicContact CD2-CG 3.9Å; F189-L225 HydrophobicContact CE2-CD1 4.01Å; F189-L225 HydrophobicContact CE2-CD2 3.64Å; F189-L225 HydrophobicContact CE2-CG 3.59Å; F189-L225 HydrophobicContact CZ-CG 4.32Å
190	R	84.7	Confident	85.8	Confident	193 Å²	193	68.9 Å²	68.9	73%	0.728	38%	0.376	S	S	*	.	H	α-helix	trans	-65.5	-44	178.7	-74.9	172.4	-168.7	-123.1	3.8	112.8	S186 T187 V188 T192 K218	S186-R190 WeakPolarHBondContact O-CB 3.49Å; S186-R190 VanDerWaalsContact O-CG 3.25Å; S186-R190 WeakPolarHBondContact O-CG 3.44Å; S186-R190 PolarHBondContact O-N 3.01Å; T187-R190 PolarHBondContact O-N 3.41Å; V188-R190 VanDerWaalsContact C-N 3.35Å; V188-R190 PolarHBondContact O-N 2.89Å; R190-T192 VanDerWaalsContact C-N 3.31Å; R190-T192 PolarHBondContact O-N 3.45Å; R190-K218 PolarHBondContact O-NZ 3.1Å
191	N	85.2	Confident	86	Confident	133 Å²	133	63.6 Å²	63.6	71%	0.711	34%	0.344	S	S	*	.	H	α-helix	trans	-74.4	-19.2	-176	-68.9	-8.7	0	0	0	113.7	T187 V188	T187-N191 WeakPolarHBondContact O-CB 3.27Å; T187-N191 VanDerWaalsContact O-CG 3.24Å; T187-N191 PolarHBondContact O-N 3.29Å; V188-N191 PolarHBondContact O-N 2.7Å
192	T	83	Confident	86.1	Confident	33 Å²	33	61.7 Å²	61.7	20%	0.202	33%	0.33	C	S	.	.	S	Bend	trans	-69.8	135.8	174.1	-57.7	0	0	0	0	110.1	V188 R190 I198 K218	V188-T192 PolarHBondContact O-N 3.47Å; V188-T192 VanDerWaalsContact O-N 3.09Å; V188-T192 PolarHBondContact O-OG1 2.75Å; R190-T192 VanDerWaalsContact C-N 3.31Å; R190-T192 PolarHBondContact O-N 3.45Å; T192-I198 HydrophobicContact CG2-CD1 4.35Å; T192-I198 HydrophobicContact CG2-CG1 3.83Å; T192-K218 HydrophobicContact CG2-CD 4.24Å; T192-K218 WeakPolarHBondContact O-CD 3.48Å; T192-K218 VanDerWaalsContact O-CE 3.3Å; T192-K218 WeakPolarHBondContact O-CE 3.48Å; T192-K218 PolarHBondContact O-NZ 2.74Å
193	S	82.7	Confident	86.2	Confident	68 Å²	68	58.3 Å²	58.3	48%	0.476	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-65	143.6	177	33.8	0	0	0	0	112.2	G195 S196	S193-G195 PolarHBondContact O-N 2.93Å; S193-S196 VanDerWaalsContact O-CB 3.3Å; S193-S196 WeakPolarHBondContact O-CB 3.32Å; S193-S196 PolarHBondContact O-N 3.46Å; S193-S196 VanDerWaalsContact O-N 3.13Å; S193-S196 PolarHBondContact O-OG 2.58Å; S193-S196 PolarHBondContact OG-OG 2.71Å
194	P	81.4	Confident	86.1	Confident	82 Å²	82	55.1 Å²	55.1	53%	0.532	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	138.5	172.9	25.6	-33.2	0	0	0	110.5	S196 A220	P194-S196 VanDerWaalsContact C-N 3.28Å; P194-S196 PolarHBondContact O-N 3.29Å; P194-A220 HydrophobicContact CB-CB 4.48Å
195	G	81.3	Confident	85.7	Confident	50 Å²	50	55.4 Å²	55.4	52%	0.515	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-3	-175	0	0	0	0	0	115	S193 K218	S193-G195 PolarHBondContact O-N 2.93Å; G195-K218 PolarHBondContact N-O 3.23Å
196	S	85	Confident	84.8	Confident	40 Å²	40	60.7 Å²	60.7	28%	0.28	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-89.4	151.7	173.3	-55.9	0	0	0	0	112	S193 P194 K218	S193-S196 VanDerWaalsContact O-CB 3.3Å; S193-S196 WeakPolarHBondContact O-CB 3.32Å; S193-S196 PolarHBondContact O-N 3.46Å; S193-S196 VanDerWaalsContact O-N 3.13Å; S193-S196 PolarHBondContact O-OG 2.58Å; S193-S196 PolarHBondContact OG-OG 2.71Å; P194-S196 VanDerWaalsContact C-N 3.28Å; P194-S196 PolarHBondContact O-N 3.29Å; S196-K218 WeakPolarHBondContact O-CB 3.47Å; S196-K218 PolarHBondContact O-N 3.37Å
197	Y	86.5	Confident	83.7	Confident	158 Å²	158	60.8 Å²	60.8	62%	0.62	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	133	176.7	-66.1	-82.7	0	0	0	111.2	L216 L217	Y197-L216 CarbonylContact C-O 3.58Å; Y197-L216 WeakPolarHBondContact CA-O 3.16Å; Y197-L217 HydrophobicContact CD1-CB 4.25Å; Y197-L217 HydrophobicContact CD1-CD1 4.24Å; Y197-L217 HydrophobicContact CE1-CB 4.06Å; Y197-L217 HydrophobicContact CE1-CD1 3.94Å; Y197-L217 HydrophobicContact CE2-CD1 4.47Å
198	I	87.9	Confident	82.6	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.026	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.5	170.8	-58.8	170.1	0	0	0	107.6	F171 F189 T192 V200 L216 K218	F171-I198 HydrophobicContact CD1-CG2 4.36Å; F171-I198 HydrophobicContact CE1-CG2 3.92Å; F171-I198 HydrophobicContact CE2-CG2 4.25Å; F171-I198 HydrophobicContact CZ-CD1 4.49Å; F171-I198 HydrophobicContact CZ-CG2 3.86Å; F189-I198 HydrophobicContact CD2-CD1 3.52Å; F189-I198 HydrophobicContact CE2-CD1 4.13Å; F189-I198 HydrophobicContact CG-CD1 4.5Å; T192-I198 HydrophobicContact CG2-CD1 4.35Å; T192-I198 HydrophobicContact CG2-CG1 3.83Å; I198-V200 HydrophobicContact CG2-CG2 4.3Å; I198-L216 HydrophobicContact CB-CB 4.42Å; I198-L216 PolarHBondContact N-O 3.24Å; I198-L216 PolarHBondContact O-N 3.22Å; I198-K218 HydrophobicContact CD1-CB 4.48Å
199	H	90.2	Very high	81.6	Confident	61 Å²	61	66.7 Å²	66.7	28%	0.282	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.9	-179.9	-165.3	-89.3	0	0	0	110.9	G172 S213	G172-H199 WeakPolarHBondContact CA-O 3.33Å; G172-H199 PolarHBondContact N-O 3.03Å; H199-S213 PolarHBondContact CE1-OG 3.28Å; H199-S213 PolarHBondContact NE2-OG 3.35Å
200	V	90.2	Very high	80.9	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.1	-179.6	-173.7	0	0	0	0	108.9	I168 Q170 F171 I198 I202 I214 L216	I168-V200 HydrophobicContact CG2-CG1 3.94Å; Q170-V200 CarbonylContact O-C 3.57Å; Q170-V200 WeakPolarHBondContact O-CA 3.44Å; Q170-V200 WeakPolarHBondContact O-CG1 3.31Å; F171-V200 HydrophobicContact CD2-CG1 4.19Å; F171-V200 HydrophobicContact CD2-CG2 3.51Å; F171-V200 HydrophobicContact CE2-CG2 3.78Å; F171-V200 HydrophobicContact CG-CG2 4.35Å; I198-V200 HydrophobicContact CG2-CG2 4.3Å; V200-I202 HydrophobicContact CG1-CG2 3.92Å; V200-I214 PolarHBondContact N-O 3.15Å; V200-I214 PolarHBondContact O-N 2.92Å; V200-L216 HydrophobicContact CG2-CD1 3.6Å; V200-L216 HydrophobicContact CG2-CG 4.02Å
201	S	89.9	Confident	80.6	Confident	14 Å²	14	63.6 Å²	63.6	10%	0.098	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.9	174.1	-57.8	0	0	0	0	109.1	I169 Q170 L212	I169-S201 WeakPolarHBondContact CB-O 3.46Å; I169-S201 PolarHBondContact N-O 3.29Å; Q170-S201 PolarHBondContact N-O 3.4Å; Q170-S201 PolarHBondContact O-N 3.46Å; S201-L212 CarbonylContact C-O 3.32Å; S201-L212 WeakPolarHBondContact CA-O 2.99Å
202	I	90.8	Very high	80.6	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.5	-178.9	65.3	159.5	0	0	0	111.2	L162 D166 R167 I168 V200 V211 L212 I214	L162-I202 HydrophobicContact CD2-CD1 3.92Å; L162-I202 HydrophobicContact CD2-CG2 3.96Å; D166-I202 HydrophobicContact CB-CB 4.49Å; D166-I202 HydrophobicContact CB-CD1 3.87Å; D166-I202 WeakPolarHBondContact OD2-CD1 3.35Å; R167-I202 CarbonylContact O-C 3.44Å; R167-I202 WeakPolarHBondContact O-CA 3.47Å; I168-I202 HydrophobicContact CG1-CG2 4.1Å; V200-I202 HydrophobicContact CG1-CG2 3.92Å; I202-V211 CarbonylContact O-C 3.53Å; I202-V211 VanDerWaalsContact O-CA 3.28Å; I202-V211 WeakPolarHBondContact O-CA 3.33Å; I202-L212 HydrophobicContact CD1-CB 4.3Å; I202-L212 HydrophobicContact CD1-CD1 4.2Å; I202-L212 HydrophobicContact CG1-CB 3.79Å; I202-L212 HydrophobicContact CG1-CD1 4.48Å; I202-L212 PolarHBondContact N-O 3.27Å; I202-L212 PolarHBondContact O-N 3.38Å; I202-I214 HydrophobicContact CD1-CD1 3.53Å; I202-I214 HydrophobicContact CG1-CD1 3.9Å
203	S	89.2	Confident	80.7	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.7	162.2	57	0	0	0	0	110	R167	R167-S203 PolarHBondContact N-O 3.02Å; R167-S203 PolarHBondContact O-N 3Å
204	R	85.4	Confident	80.9	Confident	75 Å²	75	60.3 Å²	60.3	28%	0.283	35%	0.347	S	S	.	.			trans	-102.2	120.8	176.1	-176.6	168.3	-68.1	164.2	4.6	110	D161 D166 L212	D161-R204 PolarHBondContact O-NH2 3.11Å; D161-R204 IonicContact OD2-CZ 3.75Å; D161-R204 IonicContact OD2-NH1 3.65Å; D161-R204 PolarHBondContact OD2-NH1 2.83Å; D161-R204 VanDerWaalsContact OD2-NH1 3.09Å; D161-R204 IonicContact OD2-NH2 2.83Å; D166-R204 WeakPolarHBondContact OD1-CG 3.46Å; D166-R204 IonicContact OD1-CZ 3.97Å; D166-R204 IonicContact OD1-NE 3.09Å; D166-R204 PolarHBondContact OD1-NE 3.35Å; D166-R204 IonicContact OD1-NH2 3.05Å; D166-R204 IonicContact OD2-CZ 3.19Å; D166-R204 IonicContact OD2-NE 3.91Å; D166-R204 IonicContact OD2-NH2 3.54Å; D166-R204 PolarHBondContact OD2-NH2 3.43Å; R204-L212 HydrophobicContact CB-CD1 4.11Å
205	G	78.2	Confident	81.2	Confident	49 Å²	49	59.5 Å²	59.5	51%	0.505	34%	0.343	S	S	.	.	S	Bend	trans	86	-168.6	-174.5	0	0	0	0	0	113.8	S207	G205-S207 VanDerWaalsContact C-N 3.28Å
206	D	68.5	Low	81.4	Confident	131 Å²	131	57.1 Å²	57.1	70%	0.701	32%	0.319	S	S	*	.	S	Bend	trans	-83.7	-2.8	177.1	-85	-32.8	0	0	0	113.7	R167 I208	R167-D206 IonicContact CZ-OD1 2.89Å; R167-D206 IonicContact NH1-OD1 3.61Å; R167-D206 IonicContact NH2-OD1 3.86Å; R167-D206 PolarHBondContact NH2-OD1 3.47Å; D206-I208 PolarHBondContact O-N 3.01Å
207	S	63.1	Low	81.3	Confident	61 Å²	61	59 Å²	59	43%	0.427	33%	0.325	S	S	.	.			trans	-84.4	102.2	177.5	-62.2	0	0	0	0	110.6	G205 I209 N210	G205-S207 VanDerWaalsContact C-N 3.28Å; S207-I209 PolarHBondContact O-N 3.04Å; S207-N210 PolarHBondContact O-N 3.41Å
208	I	63	Low	81.1	Confident	94 Å²	94	52.6 Å²	52.6	48%	0.482	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.4	171.6	-49.9	165.8	0	0	0	111.6	V141 D206 N210	V141-I208 HydrophobicContact CG1-CD1 4.4Å; V141-I208 HydrophobicContact CG1-CG2 3.51Å; D206-I208 PolarHBondContact O-N 3.01Å; I208-N210 VanDerWaalsContact C-N 3.3Å; I208-N210 PolarHBondContact O-N 2.93Å
209	I	63.6	Low	80.7	Confident	112 Å²	112	53.8 Å²	53.8	57%	0.574	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-32.3	179.5	-61	-178.7	0	0	0	112.1	Q139 S207 V211	Q139-I209 VanDerWaalsContact NE2-CA 3.3Å; S207-I209 PolarHBondContact O-N 3.04Å; I209-V211 PolarHBondContact O-N 3.37Å
210	N	68.4	Low	79.9	Confident	89 Å²	89	55.1 Å²	55.1	48%	0.476	33%	0.33	S	S	.	.			trans	-96.9	75.6	-171.7	-65.7	-16.5	0	0	0	110.4	S207 I208 L212	S207-N210 PolarHBondContact O-N 3.41Å; I208-N210 VanDerWaalsContact C-N 3.3Å; I208-N210 PolarHBondContact O-N 2.93Å; N210-L212 PolarHBondContact O-N 3.1Å
211	V	80	Confident	78.8	Confident	75 Å²	75	61.8 Å²	61.8	46%	0.455	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	113	172.5	-177.8	0	0	0	0	109.2	I169 I202 I209	I169-V211 HydrophobicContact CD1-CB 4.4Å; I169-V211 HydrophobicContact CD1-CG1 4.05Å; I169-V211 HydrophobicContact CD1-CG2 3.64Å; I202-V211 CarbonylContact O-C 3.53Å; I202-V211 VanDerWaalsContact O-CA 3.28Å; I202-V211 WeakPolarHBondContact O-CA 3.33Å; I209-V211 PolarHBondContact O-N 3.37Å
212	L	83.7	Confident	77.8	Confident	71 Å²	71	69.4 Å²	69.4	37%	0.372	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.4	172.6	-61.2	167.1	0	0	0	109.5	S201 I202 R204 N210	S201-L212 CarbonylContact C-O 3.32Å; S201-L212 WeakPolarHBondContact CA-O 2.99Å; I202-L212 HydrophobicContact CD1-CB 4.3Å; I202-L212 HydrophobicContact CD1-CD1 4.2Å; I202-L212 HydrophobicContact CG1-CB 3.79Å; I202-L212 HydrophobicContact CG1-CD1 4.48Å; I202-L212 PolarHBondContact N-O 3.27Å; I202-L212 PolarHBondContact O-N 3.38Å; R204-L212 HydrophobicContact CB-CD1 4.11Å; N210-L212 PolarHBondContact O-N 3.1Å
213	S	85.8	Confident	77.1	Confident	74 Å²	74	73 Å²	73	52%	0.517	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.5	-179.8	-163.1	0	0	0	0	109.4	H199	H199-S213 PolarHBondContact CE1-OG 3.28Å; H199-S213 PolarHBondContact NE2-OG 3.35Å
214	I	87.1	Confident	76.7	Confident	20 Å²	20	77 Å²	77	10%	0.103	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.2	-171.6	-64.6	172.5	0	0	0	109.2	A160 L162 V200 I202 L216	A160-I214 HydrophobicContact CB-CG2 3.61Å; A160-I214 VanDerWaalsContact O-CG2 3.28Å; A160-I214 WeakPolarHBondContact O-CG2 3.45Å; L162-I214 HydrophobicContact CD2-CD1 3.45Å; L162-I214 VanDerWaalsContact CD2-CD1 3.45Å; L162-I214 HydrophobicContact CD2-CG2 4.5Å; L162-I214 HydrophobicContact CG-CD1 4.22Å; V200-I214 PolarHBondContact N-O 3.15Å; V200-I214 PolarHBondContact O-N 2.92Å; I202-I214 HydrophobicContact CD1-CD1 3.53Å; I202-I214 HydrophobicContact CG1-CD1 3.9Å; I214-L216 HydrophobicContact CG2-CD2 4.24Å
215	S	87	Confident	76.6	Confident	65 Å²	65	74.1 Å²	74.1	46%	0.455	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.7	178.1	-66.9	0	0	0	0	110
216	L	85.2	Confident	77	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.9	176.2	-57	174.8	0	0	0	109.6	I156 A160 L162 F171 Y197 I198 V200 I214 K218 L225 M227	I156-L216 HydrophobicContact CG2-CB 4.23Å; I156-L216 HydrophobicContact CG2-CD2 4.21Å; A160-L216 HydrophobicContact CB-CD2 3.34Å; L162-L216 HydrophobicContact CD1-CD1 4.45Å; L162-L216 HydrophobicContact CD1-CD2 3.94Å; F171-L216 HydrophobicContact CE2-CD1 4.09Å; Y197-L216 CarbonylContact C-O 3.58Å; Y197-L216 WeakPolarHBondContact CA-O 3.16Å; I198-L216 HydrophobicContact CB-CB 4.42Å; I198-L216 PolarHBondContact N-O 3.24Å; I198-L216 PolarHBondContact O-N 3.22Å; V200-L216 HydrophobicContact CG2-CD1 3.6Å; V200-L216 HydrophobicContact CG2-CG 4.02Å; I214-L216 HydrophobicContact CG2-CD2 4.24Å; L216-K218 PolarHBondContact O-N 2.81Å; L216-L225 HydrophobicContact CB-CD2 4.14Å; L216-L225 HydrophobicContact CD1-CD1 3.93Å; L216-L225 HydrophobicContact CD1-CD2 4.22Å; L216-M227 HydrophobicContact CD1-CE 3.5Å; L216-M227 HydrophobicContact CD2-CE 4.4Å
217	L	84.8	Confident	78	Confident	78 Å²	78	67.8 Å²	67.8	41%	0.408	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.5	174.6	-178.9	63.8	0	0	0	109.9	Y197 P219	Y197-L217 HydrophobicContact CD1-CB 4.25Å; Y197-L217 HydrophobicContact CD1-CD1 4.24Å; Y197-L217 HydrophobicContact CE1-CB 4.06Å; Y197-L217 HydrophobicContact CE1-CD1 3.94Å; Y197-L217 HydrophobicContact CE2-CD1 4.47Å; L217-P219 WeakPolarHBondContact O-CD 3.41Å
218	K	81.6	Confident	79.4	Confident	25 Å²	25	69.4 Å²	69.4	11%	0.109	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-74.2	121.8	173.2	-178.9	171.6	172.1	167.3	0	110.3	F189 R190 T192 G195 S196 I198 L216	F189-K218 HydrophobicContact CE2-CD 4.41Å; F189-K218 HydrophobicContact CE2-CG 4.04Å; F189-K218 HydrophobicContact CZ-CG 4.26Å; F189-K218 WeakPolarHBondContact O-CE 3.28Å; F189-K218 PolarHBondContact O-NZ 3.48Å; R190-K218 PolarHBondContact O-NZ 3.1Å; T192-K218 HydrophobicContact CG2-CD 4.24Å; T192-K218 WeakPolarHBondContact O-CD 3.48Å; T192-K218 VanDerWaalsContact O-CE 3.3Å; T192-K218 WeakPolarHBondContact O-CE 3.48Å; T192-K218 PolarHBondContact O-NZ 2.74Å; G195-K218 PolarHBondContact N-O 3.23Å; S196-K218 WeakPolarHBondContact O-CB 3.47Å; S196-K218 PolarHBondContact O-N 3.37Å; I198-K218 HydrophobicContact CD1-CB 4.48Å; L216-K218 PolarHBondContact O-N 2.81Å
219	P	79.3	Confident	80.8	Confident	29 Å²	29	66 Å²	66	19%	0.188	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-70.3	156.2	176.7	30.5	-31.9	0	0	0	110.6	I156 L217 E221 V223	I156-P219 HydrophobicContact CD1-CB 4.17Å; I156-P219 HydrophobicContact CD1-CG 3.68Å; L217-P219 WeakPolarHBondContact O-CD 3.41Å; P219-E221 VanDerWaalsContact C-N 3.26Å; P219-E221 PolarHBondContact O-N 3.17Å; P219-V223 HydrophobicContact CB-CB 4.33Å; P219-V223 HydrophobicContact CG-CB 3.85Å; P219-V223 HydrophobicContact CG-CG1 4.34Å
220	A	72.5	Confident	82.1	Confident	90 Å²	90	62.8 Å²	62.8	74%	0.744	37%	0.367	S	S	*	.	S	Bend	trans	-67	-30.2	178.6	0	0	0	0	0	112.9	P194	P194-A220 HydrophobicContact CB-CB 4.48Å
221	E	68.2	Low	83.2	Confident	140 Å²	140	62.3 Å²	62.3	65%	0.654	37%	0.368	S	S	*	.	S	Bend	trans	-86.7	165.4	-179.3	-67.5	-63.8	152.4	0	0	111.9	P219 V223	P219-E221 VanDerWaalsContact C-N 3.26Å; P219-E221 PolarHBondContact O-N 3.17Å; E221-V223 HydrophobicContact CB-CB 4.47Å; E221-V223 HydrophobicContact CB-CG2 3.62Å; E221-V223 PolarHBondContact O-N 2.93Å
222	N	69.4	Low	83.5	Confident	174 Å²	174	65.5 Å²	65.5	93%	0.93	38%	0.381	S	S	*	.	S	Bend	trans	-69	38	170.7	-85.7	-15.6	0	0	0	113
223	V	74.4	Confident	83.5	Confident	76 Å²	76	65.2 Å²	65.2	46%	0.461	38%	0.381	S	S	.	.			trans	-82	134.5	-179.8	174.3	0	0	0	0	108.9	F189 P219 E221	F189-V223 WeakPolarHBondContact CZ-O 3.11Å; P219-V223 HydrophobicContact CB-CB 4.33Å; P219-V223 HydrophobicContact CG-CB 3.85Å; P219-V223 HydrophobicContact CG-CG1 4.34Å; E221-V223 HydrophobicContact CB-CB 4.47Å; E221-V223 HydrophobicContact CB-CG2 3.62Å; E221-V223 PolarHBondContact O-N 2.93Å
224	S	82	Confident	83.4	Confident	88 Å²	88	64.7 Å²	64.7	62%	0.615	37%	0.374	S	S	*	.			trans	-72.3	154.5	176.3	62.6	0	0	0	0	110.8	G226	S224-G226 PolarHBondContact O-N 3.31Å; S224-G226 VanDerWaalsContact O-N 3.11Å
225	L	83.5	Confident	83.2	Confident	16 Å²	16	67.2 Å²	67.2	8%	0.084	39%	0.389	C	S	.	.			trans	-63.7	-15.4	175.5	-68.3	169	0	0	0	113.2	I156 A157 F171 F189 L216 M227	I156-L225 HydrophobicContact CB-CD2 4.38Å; I156-L225 HydrophobicContact CD1-CD2 4.27Å; I156-L225 HydrophobicContact CG2-CD2 4.12Å; A157-L225 WeakPolarHBondContact CB-O 3.43Å; A157-L225 PolarHBondContact N-O 2.83Å; F171-L225 HydrophobicContact CE2-CD1 3.96Å; F171-L225 HydrophobicContact CZ-CD1 3.73Å; F189-L225 HydrophobicContact CD2-CD1 3.78Å; F189-L225 HydrophobicContact CD2-CD2 4.22Å; F189-L225 HydrophobicContact CD2-CG 3.9Å; F189-L225 HydrophobicContact CE2-CD1 4.01Å; F189-L225 HydrophobicContact CE2-CD2 3.64Å; F189-L225 HydrophobicContact CE2-CG 3.59Å; F189-L225 HydrophobicContact CZ-CG 4.32Å; L216-L225 HydrophobicContact CB-CD2 4.14Å; L216-L225 HydrophobicContact CD1-CD1 3.93Å; L216-L225 HydrophobicContact CD1-CD2 4.22Å; L225-M227 HydrophobicContact CB-CE 4.11Å; L225-M227 HydrophobicContact CB-CG 4.42Å; L225-M227 HydrophobicContact CD1-CE 4.34Å
226	G	86.8	Confident	82.9	Confident	9 Å²	9	67.4 Å²	67.4	9%	0.093	39%	0.386	C	S	.	.	S	Bend	trans	73.5	29.4	-179.3	0	0	0	0	0	114.6	S152 S155 S224	S152-G226 PolarHBondContact N-O 3.09Å; S155-G226 PolarHBondContact OG-O 2.85Å; S224-G226 PolarHBondContact O-N 3.31Å; S224-G226 VanDerWaalsContact O-N 3.11Å
227	M	89.4	Confident	82.8	Confident	37 Å²	37	71.6 Å²	71.6	18%	0.182	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142	169.2	65.4	-178.9	74.2	0	0	110.6	A157 L162 L216 L225 V229	A157-M227 HydrophobicContact CB-CB 3.91Å; A157-M227 HydrophobicContact CB-CE 3.71Å; L162-M227 HydrophobicContact CD1-CE 3.21Å; L162-M227 HydrophobicContact CD1-SD 4.28Å; L216-M227 HydrophobicContact CD1-CE 3.5Å; L216-M227 HydrophobicContact CD2-CE 4.4Å; L225-M227 HydrophobicContact CB-CE 4.11Å; L225-M227 HydrophobicContact CB-CG 4.42Å; L225-M227 HydrophobicContact CD1-CE 4.34Å; M227-V229 HydrophobicContact CG-CG1 4.22Å; M227-V229 HydrophobicContact SD-CG1 4.1Å
228	H	91.8	Very high	82.7	Confident	95 Å²	95	71.1 Å²	71.1	44%	0.44	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.4	167.6	-176	-114.4	0	0	0	108.7	D149 Q150	D149-H228 PolarHBondContact N-O 2.96Å; D149-H228 IonicContact OD2-CE1 2.81Å; D149-H228 IonicContact OD2-ND1 3.62Å; D149-H228 PolarHBondContact OD2-ND1 3.19Å; Q150-H228 HydrophobicContact CB-CB 3.96Å; Q150-H228 PolarHBondContact N-O 3.27Å; Q150-H228 PolarHBondContact O-N 3.49Å
229	V	91.8	Very high	82.7	Confident	23 Å²	23	74.4 Å²	74.4	14%	0.139	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.1	-177.3	-64.8	0	0	0	0	110.6	L146 K147 I148 I168 L182 M227	L146-V229 HydrophobicContact CD1-CG2 4.42Å; L146-V229 HydrophobicContact CD2-CB 4.33Å; L146-V229 HydrophobicContact CD2-CG2 4.26Å; K147-V229 CarbonylContact O-C 3.46Å; K147-V229 VanDerWaalsContact O-CA 3.32Å; K147-V229 WeakPolarHBondContact O-CA 3.47Å; I148-V229 HydrophobicContact CG1-CG1 4.19Å; I168-V229 HydrophobicContact CD1-CG1 3.74Å; L182-V229 HydrophobicContact CD2-CG2 4.05Å; M227-V229 HydrophobicContact CG-CG1 4.22Å; M227-V229 HydrophobicContact SD-CG1 4.1Å
230	V	92	Very high	83	Confident	45 Å²	45	77.9 Å²	77.9	27%	0.273	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.8	177.1	-62.7	0	0	0	0	109.8	L146 K147 D149	L146-V230 CarbonylContact C-O 3.6Å; L146-V230 WeakPolarHBondContact CA-O 3.46Å; K147-V230 HydrophobicContact CB-CG2 3.99Å; K147-V230 PolarHBondContact N-O 3.11Å; K147-V230 PolarHBondContact O-N 3.35Å; D149-V230 HydrophobicContact CB-CG1 4.05Å; D149-V230 HydrophobicContact CB-CG2 4.32Å
231	P	90.5	Very high	83.9	Confident	78 Å²	78	76.9 Å²	76.9	51%	0.506	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144.3	172.8	27.5	-33.1	0	0	0	110.9	L146 F179	L146-P231 HydrophobicContact CD2-CB 4.39Å; F179-P231 HydrophobicContact CE1-CB 4.23Å; F179-P231 HydrophobicContact CZ-CB 4.5Å
232	I	86.8	Confident	85.3	Confident	142 Å²	142	71.2 Å²	71.2	73%	0.728	41%	0.405	S	S	*	.			trans	-95.5	0	175.9	-56.6	173.2	0	0	0	109.9	A144 F145 L146 K147 R167	A144-I232 HydrophobicContact CB-CD1 4.42Å; F145-I232 PolarHBondContact O-N 3.11Å; F145-I232 VanDerWaalsContact O-N 3.14Å; L146-I232 WeakPolarHBondContact O-CD1 3.32Å; K147-I232 HydrophobicContact CB-CD1 3.94Å; K147-I232 HydrophobicContact CB-CG1 3.81Å; R167-I232 HydrophobicContact CB-CD1 4.16Å; R167-I232 HydrophobicContact CG-CD1 4.09Å

Retrieved 232 of 232 residues in 152.2 ms (Link to these results)

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