A0A096MA42_POEFO Loading...

Calcium/calmodulin-dependent protein kinase type II delta 1 chain-like

AlphaFold DB , UniProt , Accession A0A096MA42, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 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	41	Very low	70	Confident	235 Å²	235	119.1 Å²	119.1	100%	1.158	66%	0.66	S	S	*	*				0	113.1	0	-152.4	171.1	-175.3	0	0	107
2	K	41.6	Very low	71.6	Confident	209 Å²	209	115.4 Å²	115.4	91%	0.909	63%	0.632	S	S	*	*			trans	-85.5	109.5	-177.7	-91.5	-176.5	174.7	179.4	0	109.2
3	I	54.7	Low	73	Confident	118 Å²	118	114.7 Å²	114.7	61%	0.605	63%	0.626	S	S	*	*			trans	-87.8	106.8	168	-55.3	178.9	0	0	0	106.8	T5	I3-T5 HydrophobicContact CG2-CG2 3.72Å; I3-T5 WeakPolarHBondContact CG2-OG1 3.49Å
4	S	55.3	Low	74.2	Confident	116 Å²	116	108.6 Å²	108.6	81%	0.811	59%	0.592	S	S	*	*			trans	-103.8	44.4	178.5	52.1	0	0	0	0	110.9
5	T	66.3	Low	75.3	Confident	75 Å²	75	104.9 Å²	104.9	46%	0.46	57%	0.571	S	S	.	*	S	Bend	trans	-85.6	-11.9	177.3	57.9	0	0	0	0	112.6	I3 H7	I3-T5 HydrophobicContact CG2-CG2 3.72Å; I3-T5 WeakPolarHBondContact CG2-OG1 3.49Å; T5-H7 PolarHBondContact O-N 3.18Å; T5-H7 PolarHBondContact O-ND1 2.8Å
6	G	73	Confident	76.2	Confident	80 Å²	80	99.4 Å²	99.4	83%	0.825	54%	0.542	S	S	*	.			trans	66.6	8.3	-174.2	0	0	0	0	0	114.2
7	H	81.1	Confident	77	Confident	130 Å²	130	102.6 Å²	102.6	60%	0.602	55%	0.549	S	S	*	.			trans	-89	137	178.4	-69	69.6	0	0	0	110.1	T5 Y9	T5-H7 PolarHBondContact O-N 3.18Å; T5-H7 PolarHBondContact O-ND1 2.8Å; H7-Y9 HydrophobicContact CB-CE2 3.67Å; H7-Y9 WeakPolarHBondContact O-CD2 3.37Å; H7-Y9 WeakPolarHBondContact O-CE2 3.36Å
8	E	86.8	Confident	77.4	Confident	160 Å²	160	106.8 Å²	106.8	75%	0.748	56%	0.562	S	S	*	*			trans	-91.1	143.5	178.5	-58.8	-178.3	121.1	0	0	110.8	L61	E8-L61 HydrophobicContact CB-CD2 3.59Å
9	Y	90.6	Very high	77.9	Confident	92 Å²	92	103.8 Å²	103.8	36%	0.361	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.7	-177	-62.6	-81.4	0	0	0	110.7	H7 H46 V58	H7-Y9 HydrophobicContact CB-CE2 3.67Å; H7-Y9 WeakPolarHBondContact O-CD2 3.37Å; H7-Y9 WeakPolarHBondContact O-CE2 3.36Å; Y9-H46 AromaticContact CD1-CD2 3.59Å; Y9-H46 AromaticContact CD1-NE2 3.96Å; Y9-H46 HydrophobicContact CE1-CB 4.45Å; Y9-H46 AromaticContact CE1-CD2 3.56Å; Y9-H46 AromaticContact CE1-CE1 3.87Å; Y9-H46 AromaticContact CE1-CG 3.72Å; Y9-H46 AromaticContact CE1-ND1 3.94Å; Y9-H46 AromaticContact CE1-NE2 3.65Å; Y9-V58 HydrophobicContact CD1-CG1 4.15Å; Y9-V58 HydrophobicContact CG-CG1 3.86Å
10	A	89.8	Confident	78.4	Confident	35 Å²	35	101.4 Å²	101.4	29%	0.289	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.3	169.6	0	0	0	0	0	109.7	F59 L61	A10-F59 HydrophobicContact CB-CB 4.48Å; A10-F59 PolarHBondContact N-O 3.14Å; A10-F59 PolarHBondContact O-N 3.34Å; A10-L61 HydrophobicContact CB-CD1 4.22Å
11	A	90.1	Very high	78.8	Confident	60 Å²	60	100.5 Å²	100.5	50%	0.496	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115	178.1	0	0	0	0	0	110.9	I13 L57	A11-I13 PolarHBondContact O-N 2.67Å; A11-L57 CarbonylContact C-O 3.48Å; A11-L57 WeakPolarHBondContact CA-O 3.33Å
12	K	89.1	Confident	80.8	Confident	75 Å²	75	97.9 Å²	97.9	33%	0.326	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	109.6	169.8	-174	176.3	-179.3	178.3	0	108.1	I14 E30 Y56 L57 F59 D128	K12-I14 HydrophobicContact CD-CD1 4.39Å; K12-I14 HydrophobicContact CG-CD1 4.25Å; K12-I14 HydrophobicContact CG-CG1 4.2Å; K12-E30 IonicContact NZ-OE1 2.67Å; K12-E30 PolarHBondContact NZ-OE1 3.34Å; K12-E30 IonicContact NZ-OE2 3.74Å; K12-Y56 WeakPolarHBondContact O-CA 3.35Å; K12-L57 HydrophobicContact CB-CB 4.28Å; K12-L57 PolarHBondContact N-O 3.48Å; K12-L57 PolarHBondContact O-N 2.93Å; K12-F59 HydrophobicContact CB-CD2 4.37Å; K12-F59 HydrophobicContact CB-CE2 4.01Å; K12-F59 HydrophobicContact CD-CE2 4.36Å; K12-D128 IonicContact NZ-OD1 3.48Å; K12-D128 PolarHBondContact NZ-OD1 3.13Å
13	I	90.4	Very high	82.9	Confident	106 Å²	106	90.6 Å²	90.6	54%	0.544	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.9	-177.4	-49	179.6	0	0	0	109.2	A11 F54 Y56	A11-I13 PolarHBondContact O-N 2.67Å; I13-F54 HydrophobicContact CG2-CD1 3.99Å; I13-Y56 HydrophobicContact CB-CD1 4.39Å; I13-Y56 HydrophobicContact CB-CE1 4.5Å; I13-Y56 HydrophobicContact CD1-CD1 4.4Å; I13-Y56 HydrophobicContact CD1-CE1 4.22Å; I13-Y56 HydrophobicContact CG1-CD1 3.89Å; I13-Y56 HydrophobicContact CG1-CE1 4.12Å; I13-Y56 HydrophobicContact CG2-CD1 4.05Å; I13-Y56 HydrophobicContact CG2-CE1 3.77Å
14	I	89.4	Confident	84.4	Confident	29 Å²	29	88.2 Å²	88.2	15%	0.149	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.2	-174.2	-58	169.2	0	0	0	108.8	K12 T16 L19 L27 F54 H55 L57	K12-I14 HydrophobicContact CD-CD1 4.39Å; K12-I14 HydrophobicContact CG-CD1 4.25Å; K12-I14 HydrophobicContact CG-CG1 4.2Å; I14-T16 PolarHBondContact O-N 2.86Å; I14-L19 HydrophobicContact CG2-CD1 3.9Å; I14-L19 HydrophobicContact CG2-CD2 4.46Å; I14-L27 HydrophobicContact CD1-CD1 3.4Å; I14-L27 VanDerWaalsContact CD1-CD1 3.4Å; I14-L27 HydrophobicContact CD1-CD2 4.48Å; I14-L27 HydrophobicContact CG2-CD2 4.28Å; I14-F54 CarbonylContact O-C 3.55Å; I14-F54 VanDerWaalsContact O-CA 3.27Å; I14-F54 WeakPolarHBondContact O-CA 3.34Å; I14-H55 HydrophobicContact CB-CB 4.45Å; I14-H55 PolarHBondContact N-O 3.09Å; I14-H55 PolarHBondContact O-N 3.5Å; I14-L57 HydrophobicContact CD1-CD1 4.19Å
15	N	91.1	Very high	85.9	Confident	53 Å²	53	89 Å²	89	28%	0.283	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	102.6	177.6	-174.9	-36.5	0	0	0	110.2	K17 K18 G53 F54	N15-K17 VanDerWaalsContact C-N 3.32Å; N15-K17 PolarHBondContact O-N 3.37Å; N15-K17 WeakPolarHBondContact OD1-CB 3.19Å; N15-K17 PolarHBondContact OD1-N 2.8Å; N15-K17 VanDerWaalsContact OD1-N 3.09Å; N15-K18 PolarHBondContact O-N 2.74Å; N15-G53 PolarHBondContact OD1-O 2.96Å; N15-F54 HydrophobicContact CB-CD1 4.23Å; N15-F54 HydrophobicContact CB-CE1 3.98Å
16	T	89.8	Confident	86.8	Confident	18 Å²	18	88.8 Å²	88.8	11%	0.11	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-74.6	-20.2	-175.4	58.1	0	0	0	0	113.1	I14 K18 L19 L27 G53 F54 H55	I14-T16 PolarHBondContact O-N 2.86Å; T16-K18 PolarHBondContact O-N 3.31Å; T16-L19 HydrophobicContact CG2-CD1 4.23Å; T16-L19 PolarHBondContact O-N 2.86Å; T16-L27 HydrophobicContact CG2-CD2 4.29Å; T16-G53 PolarHBondContact N-O 3.37Å; T16-G53 WeakPolarHBondContact OG1-CA 3.46Å; T16-G53 PolarHBondContact OG1-O 3.1Å; T16-F54 PolarHBondContact OG1-N 3.23Å; T16-H55 HydrophobicContact CG2-CB 3.67Å
17	K	88.9	Confident	87.5	Confident	153 Å²	153	85.3 Å²	85.3	67%	0.665	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-65	-24.3	177.1	-58.3	-173.5	175	179.8	0	113	N15	N15-K17 VanDerWaalsContact C-N 3.32Å; N15-K17 PolarHBondContact O-N 3.37Å; N15-K17 WeakPolarHBondContact OD1-CB 3.19Å; N15-K17 PolarHBondContact OD1-N 2.8Å; N15-K17 VanDerWaalsContact OD1-N 3.09Å
18	K	84.9	Confident	87.8	Confident	178 Å²	178	84.7 Å²	84.7	77%	0.774	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-97.1	-4.3	-179.4	-64.9	-175.2	178.6	-177.4	0	113.4	N15 T16	N15-K18 PolarHBondContact O-N 2.74Å; T16-K18 PolarHBondContact O-N 3.31Å
19	L	85.9	Confident	87.9	Confident	50 Å²	50	80 Å²	80	26%	0.262	40%	0.399	S	S	.	.			trans	-82.7	136.2	-176.1	-64.9	-177.6	0	0	0	111.1	I14 T16 D23 L27	I14-L19 HydrophobicContact CG2-CD1 3.9Å; I14-L19 HydrophobicContact CG2-CD2 4.46Å; T16-L19 HydrophobicContact CG2-CD1 4.23Å; T16-L19 PolarHBondContact O-N 2.86Å; L19-D23 HydrophobicContact CB-CB 4.23Å; L19-D23 HydrophobicContact CD2-CB 3.94Å; L19-L27 HydrophobicContact CD1-CD2 4.01Å
20	S	88.9	Confident	87.9	Confident	55 Å²	55	76.4 Å²	76.4	39%	0.385	39%	0.385	S	S	.	.			trans	-67	161.8	164.7	75	0	0	0	0	110.5	R22 D23 H24	S20-R22 PolarHBondContact O-N 2.89Å; S20-R22 PolarHBondContact OG-N 2.85Å; S20-D23 PolarHBondContact O-N 3.34Å; S20-D23 VanDerWaalsContact OG-CG 3.26Å; S20-D23 PolarHBondContact OG-N 3.09Å; S20-D23 VanDerWaalsContact OG-N 3.16Å; S20-D23 PolarHBondContact OG-OD2 3.18Å; S20-H24 PolarHBondContact O-N 3.24Å
21	A	86.2	Confident	87.9	Confident	84 Å²	84	75.2 Å²	75.2	69%	0.694	38%	0.375	S	S	*	.	H	α-helix	trans	-55.4	-34.8	173.6	0	0	0	0	0	112.2	Q25	A21-Q25 PolarHBondContact O-N 2.88Å
22	R	83.8	Confident	87.9	Confident	180 Å²	180	78 Å²	78	68%	0.679	37%	0.373	S	S	*	.	H	α-helix	trans	-67.2	-39.4	176.2	-174.2	-179.2	-179.2	-171.2	0.7	112.1	S20 Q25 K26	S20-R22 PolarHBondContact O-N 2.89Å; S20-R22 PolarHBondContact OG-N 2.85Å; R22-Q25 PolarHBondContact O-N 3Å; R22-K26 WeakPolarHBondContact O-CG 3.39Å; R22-K26 PolarHBondContact O-N 3.13Å; R22-K26 VanDerWaalsContact O-N 3.16Å
23	D	85.5	Confident	88	Confident	55 Å²	55	74.4 Å²	74.4	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-76.2	-29	-179.8	-58.3	-47.5	0	0	0	111.9	L19 S20 K26 L27	L19-D23 HydrophobicContact CB-CB 4.23Å; L19-D23 HydrophobicContact CD2-CB 3.94Å; S20-D23 PolarHBondContact O-N 3.34Å; S20-D23 VanDerWaalsContact OG-CG 3.26Å; S20-D23 PolarHBondContact OG-N 3.09Å; S20-D23 VanDerWaalsContact OG-N 3.16Å; S20-D23 PolarHBondContact OG-OD2 3.18Å; D23-K26 PolarHBondContact O-N 3.04Å; D23-K26 IonicContact OD1-NZ 2.72Å; D23-K26 PolarHBondContact OD1-NZ 3.04Å; D23-L27 PolarHBondContact O-N 2.85Å
24	H	85.6	Confident	88.1	Confident	68 Å²	68	69.5 Å²	69.5	32%	0.315	33%	0.333	S	S	.	.	H	α-helix	trans	-58.4	-46.7	166.2	-106.6	88.9	0	0	0	112	S20 K26 L27 E28	S20-H24 PolarHBondContact O-N 3.24Å; H24-K26 VanDerWaalsContact C-N 3.29Å; H24-K26 PolarHBondContact O-N 3.36Å; H24-L27 WeakPolarHBondContact O-CB 3.33Å; H24-L27 PolarHBondContact O-N 2.98Å; H24-L27 VanDerWaalsContact O-N 3.17Å; H24-E28 PolarHBondContact O-N 3.45Å
25	Q	86.8	Confident	88.2	Confident	132 Å²	132	77 Å²	77	62%	0.617	36%	0.359	S	S	*	.	H	α-helix	trans	-62.5	-35.5	176.9	-72	179	-20	0	0	112.7	A21 R22 R29	A21-Q25 PolarHBondContact O-N 2.88Å; R22-Q25 PolarHBondContact O-N 3Å; Q25-R29 WeakPolarHBondContact O-CB 3.49Å; Q25-R29 PolarHBondContact O-N 3.19Å
26	K	85.2	Confident	88.2	Confident	71 Å²	71	78.1 Å²	78.1	31%	0.309	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-43.4	174	-68.9	176.1	-169.2	160	0	111.4	R22 D23 H24 R29 E30	R22-K26 WeakPolarHBondContact O-CG 3.39Å; R22-K26 PolarHBondContact O-N 3.13Å; R22-K26 VanDerWaalsContact O-N 3.16Å; D23-K26 PolarHBondContact O-N 3.04Å; D23-K26 IonicContact OD1-NZ 2.72Å; D23-K26 PolarHBondContact OD1-NZ 3.04Å; H24-K26 VanDerWaalsContact C-N 3.29Å; H24-K26 PolarHBondContact O-N 3.36Å; K26-R29 WeakPolarHBondContact O-CB 3.36Å; K26-R29 PolarHBondContact O-N 2.92Å; K26-E30 WeakPolarHBondContact O-CB 3.38Å; K26-E30 PolarHBondContact O-N 3.16Å
27	L	87.4	Confident	88.3	Confident	8 Å²	8	77.3 Å²	77.3	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-60.9	-46.9	177.3	172.4	57.6	0	0	0	111.9	I14 T16 L19 D23 H24 R29 E30 A31 H55 L57	I14-L27 HydrophobicContact CD1-CD1 3.4Å; I14-L27 VanDerWaalsContact CD1-CD1 3.4Å; I14-L27 HydrophobicContact CD1-CD2 4.48Å; I14-L27 HydrophobicContact CG2-CD2 4.28Å; T16-L27 HydrophobicContact CG2-CD2 4.29Å; L19-L27 HydrophobicContact CD1-CD2 4.01Å; D23-L27 PolarHBondContact O-N 2.85Å; H24-L27 WeakPolarHBondContact O-CB 3.33Å; H24-L27 PolarHBondContact O-N 2.98Å; H24-L27 VanDerWaalsContact O-N 3.17Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 2.77Å; L27-E30 PolarHBondContact O-N 2.85Å; L27-A31 PolarHBondContact O-N 3.21Å; L27-H55 HydrophobicContact CD2-CB 3.78Å; L27-L57 HydrophobicContact CD1-CD1 3.98Å
28	E	88.3	Confident	88.5	Confident	117 Å²	117	76.5 Å²	76.5	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-61.5	-38.4	176.3	-72.2	-179.3	174.2	0	0	112.2	H24 R32	H24-E28 PolarHBondContact O-N 3.45Å; E28-R32 WeakPolarHBondContact O-CB 3.43Å; E28-R32 PolarHBondContact O-N 2.99Å
29	R	88.8	Confident	88.9	Confident	62 Å²	62	70.8 Å²	70.8	23%	0.234	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-46.3	174.4	-178.3	176.6	72.9	-148.9	-2.7	111.6	Q25 K26 L27 A31 R32 I33 A132	Q25-R29 WeakPolarHBondContact O-CB 3.49Å; Q25-R29 PolarHBondContact O-N 3.19Å; K26-R29 WeakPolarHBondContact O-CB 3.36Å; K26-R29 PolarHBondContact O-N 2.92Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 2.77Å; R29-A31 PolarHBondContact O-N 2.88Å; R29-R32 PolarHBondContact O-N 2.84Å; R29-I33 HydrophobicContact CG-CD1 3.7Å; R29-I33 HydrophobicContact CG-CG1 4.28Å; R29-I33 WeakPolarHBondContact O-CB 3.5Å; R29-I33 WeakPolarHBondContact O-CG1 3.5Å; R29-I33 PolarHBondContact O-N 2.84Å; R29-A132 PolarHBondContact NE-O 3.5Å
30	E	89.5	Confident	89.2	Confident	15 Å²	15	71.7 Å²	71.7	7%	0.07	35%	0.347	C	S	.	.	H	α-helix	trans	-57.2	-50.5	176.9	-178.1	-178	170.6	0	0	110.6	K12 K26 L27 R32 I33 C34	K12-E30 IonicContact NZ-OE1 2.67Å; K12-E30 PolarHBondContact NZ-OE1 3.34Å; K12-E30 IonicContact NZ-OE2 3.74Å; K26-E30 WeakPolarHBondContact O-CB 3.38Å; K26-E30 PolarHBondContact O-N 3.16Å; L27-E30 PolarHBondContact O-N 2.85Å; E30-R32 VanDerWaalsContact C-N 3.31Å; E30-R32 PolarHBondContact O-N 3.35Å; E30-I33 PolarHBondContact O-N 3.22Å; E30-C34 WeakPolarHBondContact O-CB 3.29Å; E30-C34 PolarHBondContact O-N 3.25Å; E30-C34 PolarHBondContact O-SG 3.48Å
31	A	89.9	Confident	89.3	Confident	11 Å²	11	69.5 Å²	69.5	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-41	178.2	0	0	0	0	0	112.3	L27 R29 R35 L57	L27-A31 PolarHBondContact O-N 3.21Å; R29-A31 PolarHBondContact O-N 2.88Å; A31-R35 WeakPolarHBondContact O-CB 3.23Å; A31-R35 PolarHBondContact O-N 2.92Å; A31-R35 VanDerWaalsContact O-N 3.09Å; A31-L57 HydrophobicContact CB-CD2 3.88Å
32	R	91.4	Very high	89.6	Confident	117 Å²	117	65.6 Å²	65.6	44%	0.442	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-49.4	176.5	179.2	177.1	62.2	-107.7	5.6	111.9	E28 R29 E30 R35 L36 E134	E28-R32 WeakPolarHBondContact O-CB 3.43Å; E28-R32 PolarHBondContact O-N 2.99Å; R29-R32 PolarHBondContact O-N 2.84Å; E30-R32 VanDerWaalsContact C-N 3.31Å; E30-R32 PolarHBondContact O-N 3.35Å; R32-R35 PolarHBondContact O-N 3.2Å; R32-L36 PolarHBondContact O-N 2.88Å; R32-L36 VanDerWaalsContact O-N 3.13Å; R32-E134 IonicContact CZ-OE2 2.66Å; R32-E134 IonicContact NE-OE1 3.99Å; R32-E134 PolarHBondContact NE-OE1 3.22Å; R32-E134 IonicContact NE-OE2 2.91Å; R32-E134 PolarHBondContact NE-OE2 3.03Å; R32-E134 IonicContact NH2-OE2 3.93Å; R32-E134 PolarHBondContact NH2-OE2 3.04Å
33	I	91.3	Very high	90	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-50.3	179.4	-72.5	173.7	0	0	0	110.1	R29 E30 R35 L36 L37 V101 F129 A132 E134	R29-I33 HydrophobicContact CG-CD1 3.7Å; R29-I33 HydrophobicContact CG-CG1 4.28Å; R29-I33 WeakPolarHBondContact O-CB 3.5Å; R29-I33 WeakPolarHBondContact O-CG1 3.5Å; R29-I33 PolarHBondContact O-N 2.84Å; E30-I33 PolarHBondContact O-N 3.22Å; I33-R35 PolarHBondContact O-N 3.28Å; I33-L36 WeakPolarHBondContact O-CB 3.49Å; I33-L36 PolarHBondContact O-N 3.29Å; I33-L37 HydrophobicContact CG2-CD1 3.7Å; I33-L37 HydrophobicContact CG2-CG 4.29Å; I33-L37 WeakPolarHBondContact O-CG 3.35Å; I33-L37 PolarHBondContact O-N 3.35Å; I33-V101 HydrophobicContact CD1-CG1 4.43Å; I33-V101 HydrophobicContact CG1-CG2 4.46Å; I33-V101 HydrophobicContact CG2-CG1 3.69Å; I33-V101 HydrophobicContact CG2-CG2 4.11Å; I33-F129 HydrophobicContact CG2-CB 4.15Å; I33-F129 HydrophobicContact CG2-CD1 3.98Å; I33-F129 HydrophobicContact CG2-CG 4.25Å; I33-A132 HydrophobicContact CD1-CB 3.77Å; I33-A132 HydrophobicContact CG2-CB 4.19Å; I33-E134 HydrophobicContact CD1-CG 4.21Å; I33-E134 HydrophobicContact CG1-CG 4.02Å
34	C	91.1	Very high	90.2	Very high	4 Å²	4	60.6 Å²	60.6	3%	0.027	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-28.9	179.1	-69.7	0	0	0	0	113	E30 L45 F59	E30-C34 WeakPolarHBondContact O-CB 3.29Å; E30-C34 PolarHBondContact O-N 3.25Å; E30-C34 PolarHBondContact O-SG 3.48Å; C34-L45 HydrophobicContact CB-CB 3.76Å; C34-L45 HydrophobicContact CB-CD2 3.85Å; C34-L45 HydrophobicContact CB-CG 4.35Å; C34-F59 HydrophobicContact CB-CE1 4.23Å
35	R	91.3	Very high	90.6	Very high	187 Å²	187	58 Å²	58	71%	0.706	27%	0.265	S	S	*	.	H	α-helix	trans	-76.2	-28.6	175.4	-165.1	159	79	171.4	4.1	113.2	A31 R32 I33 L45	A31-R35 WeakPolarHBondContact O-CB 3.23Å; A31-R35 PolarHBondContact O-N 2.92Å; A31-R35 VanDerWaalsContact O-N 3.09Å; R32-R35 PolarHBondContact O-N 3.2Å; I33-R35 PolarHBondContact O-N 3.28Å; R35-L45 HydrophobicContact CB-CD2 4.42Å
36	L	91.9	Very high	90.7	Very high	76 Å²	76	55.3 Å²	55.3	40%	0.398	25%	0.252	S	S	.	.	H	α-helix	trans	-73.8	-40.1	176.2	-177.9	65.2	0	0	0	111.5	R32 I33 K38 M99 V101	R32-L36 PolarHBondContact O-N 2.88Å; R32-L36 VanDerWaalsContact O-N 3.13Å; I33-L36 WeakPolarHBondContact O-CB 3.49Å; I33-L36 PolarHBondContact O-N 3.29Å; L36-K38 PolarHBondContact O-N 2.94Å; L36-M99 HydrophobicContact CD2-CB 3.97Å; L36-M99 HydrophobicContact CG-CB 4.24Å; L36-M99 HydrophobicContact CG-CG 4.45Å; L36-V101 HydrophobicContact CD2-CG2 4.24Å
37	L	92.1	Very high	91	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	26%	0.255	C	S	.	.			trans	-80.1	111.3	-174.5	-60.4	175.3	0	0	0	111.7	I33 I42 C96 M99 V101 F129	I33-L37 HydrophobicContact CG2-CD1 3.7Å; I33-L37 HydrophobicContact CG2-CG 4.29Å; I33-L37 WeakPolarHBondContact O-CG 3.35Å; I33-L37 PolarHBondContact O-N 3.35Å; L37-I42 HydrophobicContact CB-CD1 4.17Å; L37-I42 HydrophobicContact CB-CG2 4.29Å; L37-I42 HydrophobicContact CD1-CD1 4.48Å; L37-C96 HydrophobicContact CD2-CB 4.45Å; L37-M99 HydrophobicContact CD2-CB 3.99Å; L37-M99 HydrophobicContact CD2-CG 4.11Å; L37-V101 HydrophobicContact CD1-CG1 4.37Å; L37-V101 HydrophobicContact CD2-CB 4.46Å; L37-V101 HydrophobicContact CD2-CG2 4.24Å; L37-F129 HydrophobicContact CD1-CD1 3.57Å; L37-F129 HydrophobicContact CD1-CE1 3.15Å; L37-F129 HydrophobicContact CD1-CE2 4.24Å; L37-F129 HydrophobicContact CD1-CG 4.26Å; L37-F129 HydrophobicContact CD1-CZ 3.54Å
38	K	92.3	Very high	91.1	Very high	136 Å²	136	56.9 Å²	56.9	59%	0.591	27%	0.267	S	S	*	.			trans	-127.6	95.3	176.7	-65.1	178.3	-175.8	173.9	0	109.3	L36	L36-K38 PolarHBondContact O-N 2.94Å
39	H	93.4	Very high	91.3	Very high	57 Å²	57	54.5 Å²	54.5	26%	0.264	26%	0.257	S	S	.	.			trans	-144.8	151.3	-178.2	-169.2	-99.2	0	0	0	110.5	N41 I42 H95	H39-N41 VanDerWaalsContact C-N 3.26Å; H39-N41 PolarHBondContact CE1-OD1 3.48Å; H39-N41 PolarHBondContact ND1-N 3.25Å; H39-N41 VanDerWaalsContact ND1-N 3.16Å; H39-N41 PolarHBondContact O-N 3.5Å; H39-I42 HydrophobicContact CB-CB 4.15Å; H39-I42 HydrophobicContact CB-CD1 3.77Å; H39-I42 HydrophobicContact CB-CG1 3.91Å; H39-I42 PolarHBondContact O-N 3.44Å; H39-H95 HydrophobicContact CB-CB 4.26Å; H39-H95 AromaticContact CD2-CG 3.96Å
40	A	92.6	Very high	91.3	Very high	69 Å²	69	55.8 Å²	55.8	57%	0.57	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.7	-178.4	0	0	0	0	0	112.3	I42 K125	A40-I42 VanDerWaalsContact C-N 3.35Å; A40-K125 PolarHBondContact O-NZ 2.83Å
41	N	91.9	Very high	91.3	Very high	10 Å²	10	60.2 Å²	60.2	5%	0.053	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	19.5	179.9	-53.2	95.5	0	0	0	113.8	H39 Q88 A92 V124 K125 L126	H39-N41 VanDerWaalsContact C-N 3.26Å; H39-N41 PolarHBondContact CE1-OD1 3.48Å; H39-N41 PolarHBondContact ND1-N 3.25Å; H39-N41 VanDerWaalsContact ND1-N 3.16Å; H39-N41 PolarHBondContact O-N 3.5Å; N41-Q88 WeakPolarHBondContact CB-O 3.5Å; N41-Q88 WeakPolarHBondContact ND2-CB 3.35Å; N41-Q88 PolarHBondContact ND2-OE1 3.2Å; N41-A92 HydrophobicContact CB-CB 3.95Å; N41-A92 WeakPolarHBondContact O-CB 3.14Å; N41-V124 WeakPolarHBondContact CA-O 3.4Å; N41-V124 VanDerWaalsContact CB-O 3.29Å; N41-V124 WeakPolarHBondContact CB-O 3.27Å; N41-V124 PolarHBondContact ND2-O 3.39Å; N41-K125 CarbonylContact O-C 3.49Å; N41-K125 WeakPolarHBondContact O-CA 3.3Å; N41-L126 PolarHBondContact O-N 3.36Å
42	I	92.3	Very high	91.3	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.01	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-123.1	138.1	171.6	-63.3	176	0	0	0	108.2	L37 H39 A40 R44 A92 L126 F129	L37-I42 HydrophobicContact CB-CD1 4.17Å; L37-I42 HydrophobicContact CB-CG2 4.29Å; L37-I42 HydrophobicContact CD1-CD1 4.48Å; H39-I42 HydrophobicContact CB-CB 4.15Å; H39-I42 HydrophobicContact CB-CD1 3.77Å; H39-I42 HydrophobicContact CB-CG1 3.91Å; H39-I42 PolarHBondContact O-N 3.44Å; A40-I42 VanDerWaalsContact C-N 3.35Å; I42-R44 PolarHBondContact O-N 3.1Å; I42-A92 HydrophobicContact CD1-CB 4.41Å; I42-A92 HydrophobicContact CG1-CB 3.84Å; I42-L126 HydrophobicContact CG1-CB 4.45Å; I42-F129 HydrophobicContact CD1-CZ 4.44Å; I42-F129 HydrophobicContact CG2-CE2 3.63Å; I42-F129 HydrophobicContact CG2-CZ 3.65Å
43	V	90.6	Very high	91.2	Very high	12 Å²	12	63 Å²	63	7%	0.073	32%	0.315	C	S	.	.			trans	-66.5	115.6	173.2	176.9	0	0	0	0	108.9	F59 D60 V62 K125 L126 A127	V43-F59 HydrophobicContact CG1-CB 3.8Å; V43-F59 HydrophobicContact CG1-CD1 3.97Å; V43-F59 HydrophobicContact CG1-CG 4.22Å; V43-D60 HydrophobicContact CG1-CB 4.19Å; V43-V62 HydrophobicContact CG2-CG2 4Å; V43-K125 HydrophobicContact CG2-CB 3.86Å; V43-L126 PolarHBondContact N-O 3.06Å; V43-A127 HydrophobicContact CB-CB 4.36Å; V43-A127 HydrophobicContact CG2-CB 3.75Å
44	R	91.2	Very high	91.2	Very high	118 Å²	118	66.7 Å²	66.7	45%	0.445	33%	0.331	S	S	.	.			trans	-78.3	135.2	-174.7	-179	175.7	173.2	167.2	-4.7	111.3	I42 F59 D60	I42-R44 PolarHBondContact O-N 3.1Å; R44-F59 CarbonylContact O-C 3.52Å; R44-F59 VanDerWaalsContact O-CA 3.23Å; R44-F59 WeakPolarHBondContact O-CA 3.1Å; R44-D60 WeakPolarHBondContact CB-OD2 3.08Å; R44-D60 PolarHBondContact N-OD2 2.94Å; R44-D60 VanDerWaalsContact N-OD2 3.14Å; R44-D60 PolarHBondContact O-N 3.45Å
45	L	92.3	Very high	91.2	Very high	13 Å²	13	67.5 Å²	67.5	7%	0.068	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	119.2	163	-175.8	75.4	0	0	0	109.6	C34 R35 D47 L57 V58 F59	C34-L45 HydrophobicContact CB-CB 3.76Å; C34-L45 HydrophobicContact CB-CD2 3.85Å; C34-L45 HydrophobicContact CB-CG 4.35Å; R35-L45 HydrophobicContact CB-CD2 4.42Å; L45-D47 WeakPolarHBondContact CD1-O 3.35Å; L45-L57 HydrophobicContact CD1-CB 3.77Å; L45-L57 HydrophobicContact CD1-CD2 4.16Å; L45-V58 CarbonylContact C-O 3.59Å; L45-F59 HydrophobicContact CB-CD1 4.09Å; L45-F59 HydrophobicContact CB-CE1 3.92Å; L45-F59 HydrophobicContact CD1-CD1 3.96Å; L45-F59 HydrophobicContact CD1-CD2 4.38Å; L45-F59 HydrophobicContact CD1-CE1 3.65Å; L45-F59 HydrophobicContact CD1-CE2 4.11Å; L45-F59 HydrophobicContact CD1-CG 4.33Å; L45-F59 HydrophobicContact CD1-CZ 3.73Å; L45-F59 HydrophobicContact CG-CE1 4.39Å
46	H	90.7	Very high	91.2	Very high	75 Å²	75	61.4 Å²	61.4	35%	0.347	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-45.6	175	-70.6	-80.2	0	0	0	111.8	Y9 V58 D60	Y9-H46 AromaticContact CD1-CD2 3.59Å; Y9-H46 AromaticContact CD1-NE2 3.96Å; Y9-H46 HydrophobicContact CE1-CB 4.45Å; Y9-H46 AromaticContact CE1-CD2 3.56Å; Y9-H46 AromaticContact CE1-CE1 3.87Å; Y9-H46 AromaticContact CE1-CG 3.72Å; Y9-H46 AromaticContact CE1-ND1 3.94Å; Y9-H46 AromaticContact CE1-NE2 3.65Å; H46-V58 HydrophobicContact CB-CG1 4.37Å; H46-V58 PolarHBondContact N-O 3.03Å; H46-D60 IonicContact CD2-OD1 3.04Å; H46-D60 IonicContact CE1-OD1 3.7Å; H46-D60 PolarHBondContact CE1-OD1 2.83Å; H46-D60 IonicContact NE2-OD1 2.77Å; H46-D60 PolarHBondContact NE2-OD1 2.93Å
47	D	90.4	Very high	91.1	Very high	70 Å²	70	57.8 Å²	57.8	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155.8	-175.3	-151.4	-8	0	0	0	112.3	L45 V58	L45-D47 WeakPolarHBondContact CD1-O 3.35Å; D47-V58 HydrophobicContact CB-CB 4.12Å; D47-V58 HydrophobicContact CB-CG2 4.21Å; D47-V58 PolarHBondContact N-O 3.26Å; D47-V58 PolarHBondContact O-N 3.38Å
48	S	90.8	Very high	91.1	Very high	42 Å²	42	59 Å²	59	29%	0.294	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	106.2	177.1	164.2	0	0	0	0	108.7	H55 Y56	S48-H55 PolarHBondContact OG-NE2 2.88Å; S48-Y56 CarbonylContact C-O 3.59Å; S48-Y56 WeakPolarHBondContact CA-O 3.32Å
49	I	90.9	Very high	91.1	Very high	67 Å²	67	53.8 Å²	53.8	34%	0.344	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.4	-172.8	-52.9	169.3	0	0	0	108.5	E51 H55 Y56	I49-E51 HydrophobicContact CG2-CG 4.15Å; I49-H55 WeakPolarHBondContact O-CA 3.39Å; I49-Y56 HydrophobicContact CB-CD2 4.43Å; I49-Y56 PolarHBondContact N-O 3.48Å; I49-Y56 PolarHBondContact O-N 3.26Å
50	S	89.3	Confident	90.9	Very high	89 Å²	89	53 Å²	53	62%	0.622	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.5	172.9	-174.7	0	0	0	0	109.3
51	E	90.4	Very high	90.7	Very high	109 Å²	109	53 Å²	53	51%	0.509	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	175.2	173.5	-63.6	-170	149.9	0	0	110.6	I49 G53 F54 Y56	I49-E51 HydrophobicContact CG2-CG 4.15Å; E51-G53 PolarHBondContact O-N 3.26Å; E51-F54 CarbonylContact C-O 3.6Å; E51-F54 PolarHBondContact N-O 3.01Å; E51-F54 PolarHBondContact O-N 3.07Å; E51-Y56 HydrophobicContact CB-CE2 4.05Å; E51-Y56 HydrophobicContact CG-CD2 4.37Å; E51-Y56 HydrophobicContact CG-CE2 3.85Å; E51-Y56 WeakPolarHBondContact OE2-CE2 3.31Å; E51-Y56 PolarHBondContact OE2-OH 2.66Å; E51-Y56 VanDerWaalsContact OE2-OH 3.13Å
52	E	89.4	Confident	90.5	Very high	177 Å²	177	53.9 Å²	53.9	83%	0.827	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	100.1	-178.7	-166.2	-179.2	171.7	0	0	111.6
53	G	88.6	Confident	90.2	Very high	9 Å²	9	57.6 Å²	57.6	9%	0.093	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	1.5	177.9	0	0	0	0	0	116.2	N15 T16 E51	N15-G53 PolarHBondContact OD1-O 2.96Å; T16-G53 PolarHBondContact N-O 3.37Å; T16-G53 WeakPolarHBondContact OG1-CA 3.46Å; T16-G53 PolarHBondContact OG1-O 3.1Å; E51-G53 PolarHBondContact O-N 3.26Å
54	F	91.6	Very high	89.8	Confident	77 Å²	77	57.6 Å²	57.6	34%	0.338	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.6	175.4	-65.8	-83	0	0	0	111.7	I13 I14 N15 T16 E51 Y56	I13-F54 HydrophobicContact CG2-CD1 3.99Å; I14-F54 CarbonylContact O-C 3.55Å; I14-F54 VanDerWaalsContact O-CA 3.27Å; I14-F54 WeakPolarHBondContact O-CA 3.34Å; N15-F54 HydrophobicContact CB-CD1 4.23Å; N15-F54 HydrophobicContact CB-CE1 3.98Å; T16-F54 PolarHBondContact OG1-N 3.23Å; E51-F54 CarbonylContact C-O 3.6Å; E51-F54 PolarHBondContact N-O 3.01Å; E51-F54 PolarHBondContact O-N 3.07Å; F54-Y56 HydrophobicContact CB-CE2 3.79Å
55	H	91.2	Very high	89.5	Confident	22 Å²	22	53.4 Å²	53.4	10%	0.102	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.4	170.5	-159.8	116.3	0	0	0	108.7	I14 T16 L27 S48 I49	I14-H55 HydrophobicContact CB-CB 4.45Å; I14-H55 PolarHBondContact N-O 3.09Å; I14-H55 PolarHBondContact O-N 3.5Å; T16-H55 HydrophobicContact CG2-CB 3.67Å; L27-H55 HydrophobicContact CD2-CB 3.78Å; S48-H55 PolarHBondContact OG-NE2 2.88Å; I49-H55 WeakPolarHBondContact O-CA 3.39Å
56	Y	91	Very high	89	Confident	58 Å²	58	54.6 Å²	54.6	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.8	-178.2	-53	-97.9	0	0	0	108.9	K12 I13 S48 I49 E51 F54	K12-Y56 WeakPolarHBondContact O-CA 3.35Å; I13-Y56 HydrophobicContact CB-CD1 4.39Å; I13-Y56 HydrophobicContact CB-CE1 4.5Å; I13-Y56 HydrophobicContact CD1-CD1 4.4Å; I13-Y56 HydrophobicContact CD1-CE1 4.22Å; I13-Y56 HydrophobicContact CG1-CD1 3.89Å; I13-Y56 HydrophobicContact CG1-CE1 4.12Å; I13-Y56 HydrophobicContact CG2-CD1 4.05Å; I13-Y56 HydrophobicContact CG2-CE1 3.77Å; S48-Y56 CarbonylContact C-O 3.59Å; S48-Y56 WeakPolarHBondContact CA-O 3.32Å; I49-Y56 HydrophobicContact CB-CD2 4.43Å; I49-Y56 PolarHBondContact N-O 3.48Å; I49-Y56 PolarHBondContact O-N 3.26Å; E51-Y56 HydrophobicContact CB-CE2 4.05Å; E51-Y56 HydrophobicContact CG-CD2 4.37Å; E51-Y56 HydrophobicContact CG-CE2 3.85Å; E51-Y56 WeakPolarHBondContact OE2-CE2 3.31Å; E51-Y56 PolarHBondContact OE2-OH 2.66Å; E51-Y56 VanDerWaalsContact OE2-OH 3.13Å; F54-Y56 HydrophobicContact CB-CE2 3.79Å
57	L	90.9	Very high	88.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.8	170.4	-60.1	177	0	0	0	108.1	A11 K12 I14 L27 A31 L45 F59	A11-L57 CarbonylContact C-O 3.48Å; A11-L57 WeakPolarHBondContact CA-O 3.33Å; K12-L57 HydrophobicContact CB-CB 4.28Å; K12-L57 PolarHBondContact N-O 3.48Å; K12-L57 PolarHBondContact O-N 2.93Å; I14-L57 HydrophobicContact CD1-CD1 4.19Å; L27-L57 HydrophobicContact CD1-CD1 3.98Å; A31-L57 HydrophobicContact CB-CD2 3.88Å; L45-L57 HydrophobicContact CD1-CB 3.77Å; L45-L57 HydrophobicContact CD1-CD2 4.16Å; L57-F59 HydrophobicContact CB-CD2 4.14Å; L57-F59 HydrophobicContact CB-CE2 3.37Å; L57-F59 HydrophobicContact CB-CZ 3.88Å; L57-F59 HydrophobicContact CD1-CE2 4.25Å; L57-F59 HydrophobicContact CD1-CZ 4.19Å; L57-F59 HydrophobicContact CG-CE2 4.46Å; L57-F59 WeakPolarHBondContact O-CD2 3.37Å
58	V	91.8	Very high	87.9	Confident	27 Å²	27	49.2 Å²	49.2	16%	0.164	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.5	-175.1	-175.3	0	0	0	0	108.9	Y9 L45 H46 D47	Y9-V58 HydrophobicContact CD1-CG1 4.15Å; Y9-V58 HydrophobicContact CG-CG1 3.86Å; L45-V58 CarbonylContact C-O 3.59Å; H46-V58 HydrophobicContact CB-CG1 4.37Å; H46-V58 PolarHBondContact N-O 3.03Å; D47-V58 HydrophobicContact CB-CB 4.12Å; D47-V58 HydrophobicContact CB-CG2 4.21Å; D47-V58 PolarHBondContact N-O 3.26Å; D47-V58 PolarHBondContact O-N 3.38Å
59	F	91.3	Very high	87.2	Confident	27 Å²	27	53.2 Å²	53.2	12%	0.118	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	165.2	-175.2	-67	-82	0	0	0	112.6	A10 K12 C34 V43 R44 L45 L57 L61	A10-F59 HydrophobicContact CB-CB 4.48Å; A10-F59 PolarHBondContact N-O 3.14Å; A10-F59 PolarHBondContact O-N 3.34Å; K12-F59 HydrophobicContact CB-CD2 4.37Å; K12-F59 HydrophobicContact CB-CE2 4.01Å; K12-F59 HydrophobicContact CD-CE2 4.36Å; C34-F59 HydrophobicContact CB-CE1 4.23Å; V43-F59 HydrophobicContact CG1-CB 3.8Å; V43-F59 HydrophobicContact CG1-CD1 3.97Å; V43-F59 HydrophobicContact CG1-CG 4.22Å; R44-F59 CarbonylContact O-C 3.52Å; R44-F59 VanDerWaalsContact O-CA 3.23Å; R44-F59 WeakPolarHBondContact O-CA 3.1Å; L45-F59 HydrophobicContact CB-CD1 4.09Å; L45-F59 HydrophobicContact CB-CE1 3.92Å; L45-F59 HydrophobicContact CD1-CD1 3.96Å; L45-F59 HydrophobicContact CD1-CD2 4.38Å; L45-F59 HydrophobicContact CD1-CE1 3.65Å; L45-F59 HydrophobicContact CD1-CE2 4.11Å; L45-F59 HydrophobicContact CD1-CG 4.33Å; L45-F59 HydrophobicContact CD1-CZ 3.73Å; L45-F59 HydrophobicContact CG-CE1 4.39Å; L57-F59 HydrophobicContact CB-CD2 4.14Å; L57-F59 HydrophobicContact CB-CE2 3.37Å; L57-F59 HydrophobicContact CB-CZ 3.88Å; L57-F59 HydrophobicContact CD1-CE2 4.25Å; L57-F59 HydrophobicContact CD1-CZ 4.19Å; L57-F59 HydrophobicContact CG-CE2 4.46Å; L57-F59 WeakPolarHBondContact O-CD2 3.37Å; F59-L61 PolarHBondContact O-N 3.33Å
60	D	89.9	Confident	86.6	Confident	39 Å²	39	51.9 Å²	51.9	21%	0.209	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	130.5	163.9	-74.4	-28.6	0	0	0	109.9	V43 R44 H46 V62 K125	V43-D60 HydrophobicContact CG1-CB 4.19Å; R44-D60 WeakPolarHBondContact CB-OD2 3.08Å; R44-D60 PolarHBondContact N-OD2 2.94Å; R44-D60 VanDerWaalsContact N-OD2 3.14Å; R44-D60 PolarHBondContact O-N 3.45Å; H46-D60 IonicContact CD2-OD1 3.04Å; H46-D60 IonicContact CE1-OD1 3.7Å; H46-D60 PolarHBondContact CE1-OD1 2.83Å; H46-D60 IonicContact NE2-OD1 2.77Å; H46-D60 PolarHBondContact NE2-OD1 2.93Å; D60-V62 HydrophobicContact CB-CG2 4.49Å; D60-V62 PolarHBondContact O-N 2.91Å; D60-K125 IonicContact OD2-NZ 2.79Å
61	L	88	Confident	85.8	Confident	71 Å²	71	49 Å²	49	37%	0.372	25%	0.253	S	S	.	.			trans	-74.6	118	168.3	-179.1	62.8	0	0	0	109	E8 A10 F59 T63	E8-L61 HydrophobicContact CB-CD2 3.59Å; A10-L61 HydrophobicContact CB-CD1 4.22Å; F59-L61 PolarHBondContact O-N 3.33Å; L61-T63 HydrophobicContact CD2-CG2 4.1Å; L61-T63 HydrophobicContact CG-CG2 3.89Å
62	V	87.6	Confident	84.9	Confident	28 Å²	28	50 Å²	50	17%	0.17	27%	0.266	C	S	.	.			trans	-109.1	124	177	-175.5	0	0	0	0	109	V43 D60 L114 L115 K125	V43-V62 HydrophobicContact CG2-CG2 4Å; D60-V62 HydrophobicContact CB-CG2 4.49Å; D60-V62 PolarHBondContact O-N 2.91Å; V62-L114 HydrophobicContact CB-CB 4.31Å; V62-L114 HydrophobicContact CB-CD1 4.14Å; V62-L114 HydrophobicContact CG1-CB 3.55Å; V62-L114 HydrophobicContact CG1-CD1 4.27Å; V62-L114 HydrophobicContact CG2-CD1 4.48Å; V62-L115 WeakPolarHBondContact CG1-O 3.48Å; V62-K125 HydrophobicContact CG2-CD 3.93Å
63	T	86.8	Confident	84.1	Confident	80 Å²	80	45.4 Å²	45.4	49%	0.491	26%	0.258	S	S	.	.			trans	-118.2	-2.9	-169.2	60.4	0	0	0	0	114.6	L61 G65	L61-T63 HydrophobicContact CD2-CG2 4.1Å; L61-T63 HydrophobicContact CG-CG2 3.89Å; T63-G65 VanDerWaalsContact C-N 3.26Å; T63-G65 PolarHBondContact O-N 3.45Å
64	G	81.8	Confident	83.2	Confident	11 Å²	11	47.8 Å²	47.8	11%	0.113	26%	0.264	C	S	.	.	S	Bend	trans	-76.3	-11.1	178.6	0	0	0	0	0	114.4	L115 S117	G64-L115 WeakPolarHBondContact CA-O 3.46Å; G64-L115 PolarHBondContact N-O 2.81Å; G64-S117 WeakPolarHBondContact CA-O 3.3Å
65	G	84.1	Confident	81.8	Confident	30 Å²	30	52.8 Å²	52.8	31%	0.309	29%	0.289	S	S	.	.			trans	77	-157.9	-177.4	0	0	0	0	0	112.2	T63 L114 L115	T63-G65 VanDerWaalsContact C-N 3.26Å; T63-G65 PolarHBondContact O-N 3.45Å; G65-L114 WeakPolarHBondContact O-CA 2.9Å; G65-L115 PolarHBondContact O-N 2.71Å
66	E	82.8	Confident	80.7	Confident	38 Å²	38	61.1 Å²	61.1	18%	0.178	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-86.7	138.2	-172.1	-58	-178	169.6	0	0	111.5	F68 E69 D70 P110	E66-F68 VanDerWaalsContact C-N 3.28Å; E66-F68 PolarHBondContact O-N 3.39Å; E66-E69 HydrophobicContact CB-CB 4.27Å; E66-E69 HydrophobicContact CB-CG 4.05Å; E66-E69 PolarHBondContact O-N 3.04Å; E66-D70 PolarHBondContact O-N 2.75Å; E66-D70 VanDerWaalsContact O-N 3.14Å; E66-P110 WeakPolarHBondContact CB-O 3.49Å; E66-P110 VanDerWaalsContact CD-C 3.46Å; E66-P110 WeakPolarHBondContact CG-O 3.44Å; E66-P110 WeakPolarHBondContact OE2-CB 3.19Å; E66-P110 WeakPolarHBondContact OE2-CG 3.48Å
67	L	80.9	Confident	79.8	Confident	2 Å²	2	61 Å²	61	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-56.8	-41.5	179	177.7	64.9	0	0	0	112.2	D70 I71 I89 L113 L115 V124 L179	L67-D70 PolarHBondContact O-N 3.39Å; L67-I71 HydrophobicContact CD1-CD1 4.15Å; L67-I71 HydrophobicContact CD1-CG1 4.47Å; L67-I71 HydrophobicContact CG-CD1 3.92Å; L67-I71 VanDerWaalsContact O-CG1 3.24Å; L67-I71 WeakPolarHBondContact O-CG1 3.33Å; L67-I71 PolarHBondContact O-N 3.22Å; L67-I89 HydrophobicContact CD2-CD1 4.36Å; L67-L113 HydrophobicContact CB-CB 3.91Å; L67-L113 WeakPolarHBondContact CB-O 3.43Å; L67-L113 HydrophobicContact CD2-CB 4.1Å; L67-L113 HydrophobicContact CD2-CD1 3.91Å; L67-L113 PolarHBondContact N-O 2.92Å; L67-L115 HydrophobicContact CD1-CD2 3.99Å; L67-V124 HydrophobicContact CD1-CG2 4.22Å; L67-V124 HydrophobicContact CD2-CG1 4.49Å; L67-L179 HydrophobicContact CD2-CD2 4.24Å
68	F	75.9	Confident	79.3	Confident	31 Å²	31	63.6 Å²	63.6	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-71.1	-36.2	-177.4	-66.7	-72.7	0	0	0	112.5	E66 D70 I71 V72 K107 L113 I175 I178 L179	E66-F68 VanDerWaalsContact C-N 3.28Å; E66-F68 PolarHBondContact O-N 3.39Å; F68-D70 VanDerWaalsContact C-N 3.34Å; F68-I71 PolarHBondContact O-N 3.27Å; F68-V72 VanDerWaalsContact O-CG2 3.3Å; F68-V72 WeakPolarHBondContact O-CG2 3.38Å; F68-V72 PolarHBondContact O-N 3.39Å; F68-K107 HydrophobicContact CE2-CD 3.69Å; F68-K107 HydrophobicContact CZ-CD 4.01Å; F68-L113 HydrophobicContact CE2-CD1 4.13Å; F68-L113 HydrophobicContact CZ-CD1 4.36Å; F68-I175 HydrophobicContact CZ-CG2 4.37Å; F68-I178 HydrophobicContact CD1-CG2 3.94Å; F68-I178 HydrophobicContact CE1-CB 4.19Å; F68-I178 HydrophobicContact CE1-CG2 3.51Å; F68-L179 HydrophobicContact CE1-CD2 4.4Å
69	E	76.9	Confident	78.8	Confident	125 Å²	125	67.6 Å²	67.6	58%	0.584	36%	0.355	S	S	*	.	H	α-helix	trans	-64.3	-41.7	174.4	-69.2	-169.1	151.5	0	0	111.3	E66 I71 V72 A73	E66-E69 HydrophobicContact CB-CB 4.27Å; E66-E69 HydrophobicContact CB-CG 4.05Å; E66-E69 PolarHBondContact O-N 3.04Å; E69-I71 PolarHBondContact O-N 3.44Å; E69-V72 PolarHBondContact O-N 3.29Å; E69-A73 VanDerWaalsContact O-CB 3.3Å; E69-A73 WeakPolarHBondContact O-CB 3.45Å; E69-A73 PolarHBondContact O-N 3.11Å
70	D	78	Confident	78.4	Confident	40 Å²	40	69.7 Å²	69.7	21%	0.214	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-39.6	176.5	-178.1	69.7	0	0	0	112	E66 L67 F68 A73 R74 L115	E66-D70 PolarHBondContact O-N 2.75Å; E66-D70 VanDerWaalsContact O-N 3.14Å; L67-D70 PolarHBondContact O-N 3.39Å; F68-D70 VanDerWaalsContact C-N 3.34Å; D70-A73 PolarHBondContact O-N 2.8Å; D70-R74 VanDerWaalsContact O-CG 3.25Å; D70-R74 WeakPolarHBondContact O-CG 3.41Å; D70-R74 PolarHBondContact O-N 2.72Å; D70-R74 VanDerWaalsContact O-N 3.17Å; D70-R74 IonicContact OD1-NE 2.93Å; D70-R74 IonicContact OD2-CZ 3.38Å; D70-R74 IonicContact OD2-NE 2.66Å; D70-R74 PolarHBondContact OD2-NE 3.22Å; D70-R74 IonicContact OD2-NH2 3.62Å; D70-R74 PolarHBondContact OD2-NH2 3.48Å; D70-L115 HydrophobicContact CB-CD1 3.42Å; D70-L115 VanDerWaalsContact CB-CD1 3.42Å; D70-L115 VanDerWaalsContact CG-CD1 3.42Å; D70-L115 WeakPolarHBondContact OD2-CD1 3.3Å
71	I	72.6	Confident	78	Confident	29 Å²	29	70.1 Å²	70.1	15%	0.149	38%	0.38	C	S	.	.	H	α-helix	trans	-62.8	-45.7	175.2	-67.8	166	0	0	0	111	L67 F68 E69 A73 R74 Y77 L179	L67-I71 HydrophobicContact CD1-CD1 4.15Å; L67-I71 HydrophobicContact CD1-CG1 4.47Å; L67-I71 HydrophobicContact CG-CD1 3.92Å; L67-I71 VanDerWaalsContact O-CG1 3.24Å; L67-I71 WeakPolarHBondContact O-CG1 3.33Å; L67-I71 PolarHBondContact O-N 3.22Å; F68-I71 PolarHBondContact O-N 3.27Å; E69-I71 PolarHBondContact O-N 3.44Å; I71-A73 VanDerWaalsContact C-N 3.28Å; I71-A73 PolarHBondContact O-N 2.91Å; I71-R74 PolarHBondContact O-N 3.48Å; I71-Y77 HydrophobicContact CD1-CE2 4.21Å; I71-Y77 HydrophobicContact CG1-CD2 4.11Å; I71-Y77 HydrophobicContact CG1-CE2 3.67Å; I71-Y77 HydrophobicContact CG2-CD1 4.33Å; I71-Y77 HydrophobicContact CG2-CD2 4.34Å; I71-Y77 HydrophobicContact CG2-CG 4.23Å; I71-L179 HydrophobicContact CD1-CD2 3.24Å
72	V	72	Confident	77.7	Confident	128 Å²	128	66.8 Å²	66.8	78%	0.776	36%	0.363	S	S	*	.	H	α-helix	trans	-65.4	-33	178.8	171.8	0	0	0	0	111.7	F68 E69	F68-V72 VanDerWaalsContact O-CG2 3.3Å; F68-V72 WeakPolarHBondContact O-CG2 3.38Å; F68-V72 PolarHBondContact O-N 3.39Å; E69-V72 PolarHBondContact O-N 3.29Å
73	A	71.9	Confident	77.5	Confident	81 Å²	81	68.9 Å²	68.9	67%	0.669	38%	0.378	S	S	*	.	H	α-helix	trans	-78.5	-16.9	-179.7	0	0	0	0	0	114	E69 D70 I71	E69-A73 VanDerWaalsContact O-CB 3.3Å; E69-A73 WeakPolarHBondContact O-CB 3.45Å; E69-A73 PolarHBondContact O-N 3.11Å; D70-A73 PolarHBondContact O-N 2.8Å; I71-A73 VanDerWaalsContact C-N 3.28Å; I71-A73 PolarHBondContact O-N 2.91Å
74	R	70.2	Confident	77.4	Confident	59 Å²	59	69.4 Å²	69.4	22%	0.223	38%	0.375	C	S	.	.			trans	-80.6	131	-179.5	-77.1	170.9	-173.7	-153.9	11.3	111.1	D70 I71 Y76	D70-R74 VanDerWaalsContact O-CG 3.25Å; D70-R74 WeakPolarHBondContact O-CG 3.41Å; D70-R74 PolarHBondContact O-N 2.72Å; D70-R74 VanDerWaalsContact O-N 3.17Å; D70-R74 IonicContact OD1-NE 2.93Å; D70-R74 IonicContact OD2-CZ 3.38Å; D70-R74 IonicContact OD2-NE 2.66Å; D70-R74 PolarHBondContact OD2-NE 3.22Å; D70-R74 IonicContact OD2-NH2 3.62Å; D70-R74 PolarHBondContact OD2-NH2 3.48Å; I71-R74 PolarHBondContact O-N 3.48Å; R74-Y76 PolarHBondContact O-N 3.44Å
75	E	62	Low	77.5	Confident	182 Å²	182	69.5 Å²	69.5	85%	0.85	37%	0.374	S	S	*	.	S	Bend	trans	-65.8	-29.1	171.5	-67.5	-176.5	161.2	0	0	112.7
76	Y	67.4	Low	77.6	Confident	197 Å²	197	68.9 Å²	68.9	77%	0.773	36%	0.363	S	S	*	.			trans	-135.4	123.5	-179.7	-65.2	-83	0	0	0	110.6	R74	R74-Y76 PolarHBondContact O-N 3.44Å
77	Y	73.9	Confident	77.8	Confident	56 Å²	56	71.6 Å²	71.6	22%	0.22	38%	0.376	C	S	.	.			trans	-133.9	123.5	173.3	-169.4	-99.1	0	0	0	108.5	I71 D81 A82 C85 L179	I71-Y77 HydrophobicContact CD1-CE2 4.21Å; I71-Y77 HydrophobicContact CG1-CD2 4.11Å; I71-Y77 HydrophobicContact CG1-CE2 3.67Å; I71-Y77 HydrophobicContact CG2-CD1 4.33Å; I71-Y77 HydrophobicContact CG2-CD2 4.34Å; I71-Y77 HydrophobicContact CG2-CG 4.23Å; Y77-D81 HydrophobicContact CD2-CB 3.89Å; Y77-D81 HydrophobicContact CE1-CB 4.46Å; Y77-D81 HydrophobicContact CE2-CB 3.61Å; Y77-D81 HydrophobicContact CG-CB 4.42Å; Y77-A82 HydrophobicContact CE1-CB 3.84Å; Y77-A82 VanDerWaalsContact OH-CA 3.3Å; Y77-A82 WeakPolarHBondContact OH-CA 3.47Å; Y77-A82 PolarHBondContact OH-N 3.31Å; Y77-C85 PolarHBondContact OH-SG 3.43Å; Y77-L179 WeakPolarHBondContact CE1-O 3.46Å
78	S	80.1	Confident	78.2	Confident	54 Å²	54	72.2 Å²	72.2	38%	0.378	38%	0.379	S	S	.	.			trans	-106.3	162.8	-174.7	69	0	0	0	0	112.5	A80 D81 A82	S78-A80 PolarHBondContact O-N 2.91Å; S78-A80 PolarHBondContact OG-N 3.09Å; S78-D81 WeakPolarHBondContact CB-OD2 3.33Å; S78-D81 PolarHBondContact N-OD2 3.29Å; S78-D81 WeakPolarHBondContact O-CA 3.33Å; S78-D81 WeakPolarHBondContact O-CB 3.19Å; S78-D81 PolarHBondContact O-N 3.46Å; S78-D81 PolarHBondContact OG-N 3.21Å; S78-D81 PolarHBondContact OG-OD2 3.03Å; S78-A82 PolarHBondContact O-N 3.25Å
79	E	81.4	Confident	78.8	Confident	112 Å²	112	70.9 Å²	70.9	52%	0.523	37%	0.373	S	S	.	.	H	α-helix	trans	-57.9	-29.6	170.6	-67.8	-178.9	-145.5	0	0	112.4	A82 S83 L180 C213	E79-A82 PolarHBondContact O-N 2.87Å; E79-S83 VanDerWaalsContact O-CB 3.3Å; E79-S83 WeakPolarHBondContact O-CB 3.39Å; E79-S83 PolarHBondContact O-N 3.37Å; E79-L180 HydrophobicContact CG-CD2 4.07Å; E79-C213 PolarHBondContact OE1-SG 3.4Å
80	A	81.7	Confident	79.3	Confident	70 Å²	70	68 Å²	68	58%	0.579	36%	0.362	S	S	*	.	H	α-helix	trans	-66.9	-38.8	174.2	0	0	0	0	0	111.7	S78 S83 H84	S78-A80 PolarHBondContact O-N 2.91Å; S78-A80 PolarHBondContact OG-N 3.09Å; A80-S83 PolarHBondContact O-N 3.23Å; A80-H84 WeakPolarHBondContact O-CB 3.48Å; A80-H84 PolarHBondContact O-N 3.05Å
81	D	81.1	Confident	79.9	Confident	49 Å²	49	69.6 Å²	69.6	26%	0.262	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-42.2	173.5	-60.5	-64	0	0	0	110.9	Y77 S78 H84 C85	Y77-D81 HydrophobicContact CD2-CB 3.89Å; Y77-D81 HydrophobicContact CE1-CB 4.46Å; Y77-D81 HydrophobicContact CE2-CB 3.61Å; Y77-D81 HydrophobicContact CG-CB 4.42Å; S78-D81 WeakPolarHBondContact CB-OD2 3.33Å; S78-D81 PolarHBondContact N-OD2 3.29Å; S78-D81 WeakPolarHBondContact O-CA 3.33Å; S78-D81 WeakPolarHBondContact O-CB 3.19Å; S78-D81 PolarHBondContact O-N 3.46Å; S78-D81 PolarHBondContact OG-N 3.21Å; S78-D81 PolarHBondContact OG-OD2 3.03Å; D81-H84 PolarHBondContact O-N 2.8Å; D81-C85 PolarHBondContact O-N 2.97Å; D81-C85 PolarHBondContact O-SG 2.88Å
82	A	81.9	Confident	80.7	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-45.9	174.9	0	0	0	0	0	111.9	Y77 S78 E79 H84 C85 I86 L179 L180	Y77-A82 HydrophobicContact CE1-CB 3.84Å; Y77-A82 VanDerWaalsContact OH-CA 3.3Å; Y77-A82 WeakPolarHBondContact OH-CA 3.47Å; Y77-A82 PolarHBondContact OH-N 3.31Å; S78-A82 PolarHBondContact O-N 3.25Å; E79-A82 PolarHBondContact O-N 2.87Å; A82-H84 PolarHBondContact O-N 3.19Å; A82-C85 PolarHBondContact O-N 3.22Å; A82-I86 WeakPolarHBondContact O-CG2 3.28Å; A82-I86 PolarHBondContact O-N 3.21Å; A82-L179 HydrophobicContact CB-CB 4.01Å; A82-L180 HydrophobicContact CB-CD2 3.82Å
83	S	84.3	Confident	81.5	Confident	72 Å²	72	62.3 Å²	62.3	50%	0.503	33%	0.325	S	S	.	.	H	α-helix	trans	-59.8	-44.3	176.5	-177.7	0	0	0	0	111.6	E79 A80 I86 Q87	E79-S83 VanDerWaalsContact O-CB 3.3Å; E79-S83 WeakPolarHBondContact O-CB 3.39Å; E79-S83 PolarHBondContact O-N 3.37Å; A80-S83 PolarHBondContact O-N 3.23Å; S83-I86 WeakPolarHBondContact O-CG2 3.5Å; S83-Q87 WeakPolarHBondContact O-CB 3.43Å; S83-Q87 PolarHBondContact O-N 3.37Å
84	H	83.6	Confident	82.3	Confident	91 Å²	91	63 Å²	63	42%	0.421	32%	0.317	S	S	.	.	H	α-helix	trans	-66	-39.6	177.5	-169.8	58.2	0	0	0	112.4	A80 D81 A82 Q88	A80-H84 WeakPolarHBondContact O-CB 3.48Å; A80-H84 PolarHBondContact O-N 3.05Å; D81-H84 PolarHBondContact O-N 2.8Å; A82-H84 PolarHBondContact O-N 3.19Å; H84-Q88 PolarHBondContact CD2-NE2 3.28Å; H84-Q88 PolarHBondContact CE1-NE2 3.16Å; H84-Q88 PolarHBondContact NE2-NE2 3.38Å; H84-Q88 WeakPolarHBondContact O-CG 3.46Å; H84-Q88 PolarHBondContact O-N 2.85Å
85	C	85.2	Confident	83.4	Confident	13 Å²	13	61.6 Å²	61.6	9%	0.088	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-49.6	176.7	-67.1	0	0	0	0	111.5	Y77 D81 A82 Q87 Q88 I89 L179	Y77-C85 PolarHBondContact OH-SG 3.43Å; D81-C85 PolarHBondContact O-N 2.97Å; D81-C85 PolarHBondContact O-SG 2.88Å; A82-C85 PolarHBondContact O-N 3.22Å; C85-Q87 VanDerWaalsContact C-N 3.3Å; C85-Q87 PolarHBondContact O-N 3.38Å; C85-Q88 PolarHBondContact O-N 3.17Å; C85-I89 WeakPolarHBondContact O-CG1 3.49Å; C85-I89 PolarHBondContact O-N 2.99Å; C85-L179 HydrophobicContact CB-CD1 4.03Å
86	I	86	Confident	84.8	Confident	17 Å²	17	53 Å²	53	9%	0.087	27%	0.273	C	S	.	.	H	α-helix	trans	-66.9	-33.5	-177.9	-162.8	64.3	0	0	0	111.8	A82 S83 Q88 I89 L90 C172 I175 L176 L179	A82-I86 WeakPolarHBondContact O-CG2 3.28Å; A82-I86 PolarHBondContact O-N 3.21Å; S83-I86 WeakPolarHBondContact O-CG2 3.5Å; I86-Q88 VanDerWaalsContact C-N 3.35Å; I86-Q88 PolarHBondContact O-N 2.97Å; I86-I89 HydrophobicContact CD1-CB 4.44Å; I86-I89 HydrophobicContact CD1-CD1 4.33Å; I86-I89 PolarHBondContact O-N 3.41Å; I86-L90 HydrophobicContact CG1-CD1 4.1Å; I86-L90 HydrophobicContact CG1-CG 4.27Å; I86-L90 WeakPolarHBondContact O-CB 3.41Å; I86-L90 VanDerWaalsContact O-CG 3.25Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 3.45Å; I86-C172 HydrophobicContact CD1-CB 4.48Å; I86-I175 HydrophobicContact CD1-CG2 4.31Å; I86-L176 HydrophobicContact CB-CD1 4.17Å; I86-L176 HydrophobicContact CD1-CB 4.07Å; I86-L176 HydrophobicContact CG1-CB 4.19Å; I86-L176 HydrophobicContact CG1-CD1 4.24Å; I86-L176 HydrophobicContact CG2-CD1 4.07Å; I86-L179 HydrophobicContact CB-CD1 4.29Å
87	Q	87.6	Confident	85.8	Confident	94 Å²	94	44.7 Å²	44.7	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-56.5	-49.5	174.5	-179.3	-175.6	0.9	0	0	111.2	S83 C85 I89 L90 E91	S83-Q87 WeakPolarHBondContact O-CB 3.43Å; S83-Q87 PolarHBondContact O-N 3.37Å; C85-Q87 VanDerWaalsContact C-N 3.3Å; C85-Q87 PolarHBondContact O-N 3.38Å; Q87-I89 VanDerWaalsContact C-N 3.31Å; Q87-I89 PolarHBondContact O-N 2.83Å; Q87-L90 PolarHBondContact O-N 2.9Å; Q87-E91 HydrophobicContact CG-CG 4.5Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.29Å; Q87-E91 PolarHBondContact NE2-OE1 2.96Å; Q87-E91 WeakPolarHBondContact O-CG 3.37Å; Q87-E91 PolarHBondContact O-N 3.18Å
88	Q	88.4	Confident	86.6	Confident	16 Å²	16	48 Å²	48	8%	0.075	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-35.6	-179.6	-69	-175.5	34.4	0	0	112.8	N41 H84 C85 I86 A92 A123 V124	N41-Q88 WeakPolarHBondContact CB-O 3.5Å; N41-Q88 WeakPolarHBondContact ND2-CB 3.35Å; N41-Q88 PolarHBondContact ND2-OE1 3.2Å; H84-Q88 PolarHBondContact CD2-NE2 3.28Å; H84-Q88 PolarHBondContact CE1-NE2 3.16Å; H84-Q88 PolarHBondContact NE2-NE2 3.38Å; H84-Q88 WeakPolarHBondContact O-CG 3.46Å; H84-Q88 PolarHBondContact O-N 2.85Å; C85-Q88 PolarHBondContact O-N 3.17Å; I86-Q88 VanDerWaalsContact C-N 3.35Å; I86-Q88 PolarHBondContact O-N 2.97Å; Q88-A92 PolarHBondContact O-N 3.36Å; Q88-A92 VanDerWaalsContact O-N 3.11Å; Q88-A123 VanDerWaalsContact OE1-CA 3.26Å; Q88-V124 HydrophobicContact CB-CB 4.23Å
89	I	88.5	Confident	87.2	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-65.5	-47	174.5	-64.2	169.7	0	0	0	109.9	L67 C85 I86 Q87 E91 A92 V93 L113 V124 I175	L67-I89 HydrophobicContact CD2-CD1 4.36Å; C85-I89 WeakPolarHBondContact O-CG1 3.49Å; C85-I89 PolarHBondContact O-N 2.99Å; I86-I89 HydrophobicContact CD1-CB 4.44Å; I86-I89 HydrophobicContact CD1-CD1 4.33Å; I86-I89 PolarHBondContact O-N 3.41Å; Q87-I89 VanDerWaalsContact C-N 3.31Å; Q87-I89 PolarHBondContact O-N 2.83Å; I89-E91 VanDerWaalsContact C-N 3.33Å; I89-E91 PolarHBondContact O-N 2.77Å; I89-A92 WeakPolarHBondContact O-CB 3.35Å; I89-A92 PolarHBondContact O-N 2.95Å; I89-V93 HydrophobicContact CG2-CG2 4.4Å; I89-V93 WeakPolarHBondContact O-CG2 3.49Å; I89-V93 PolarHBondContact O-N 2.66Å; I89-L113 HydrophobicContact CD1-CD1 3.71Å; I89-L113 HydrophobicContact CD1-CD2 3.87Å; I89-L113 HydrophobicContact CD1-CG 4.44Å; I89-L113 HydrophobicContact CG1-CD2 3.8Å; I89-V124 HydrophobicContact CG1-CG1 3.99Å; I89-I175 HydrophobicContact CD1-CG2 3.94Å
90	L	87.9	Confident	87.6	Confident	65 Å²	65	44.4 Å²	44.4	34%	0.34	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-38.1	178.7	-71.9	170.4	0	0	0	112	I86 Q87 V93 L94 M169 C172	I86-L90 HydrophobicContact CG1-CD1 4.1Å; I86-L90 HydrophobicContact CG1-CG 4.27Å; I86-L90 WeakPolarHBondContact O-CB 3.41Å; I86-L90 VanDerWaalsContact O-CG 3.25Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 3.45Å; Q87-L90 PolarHBondContact O-N 2.9Å; L90-V93 PolarHBondContact O-N 2.92Å; L90-L94 WeakPolarHBondContact O-CB 3.35Å; L90-L94 PolarHBondContact O-N 2.9Å; L90-M169 HydrophobicContact CD2-CE 3.66Å; L90-M169 HydrophobicContact CD2-SD 4.36Å; L90-C172 HydrophobicContact CD2-CB 4.16Å
91	E	89.4	Confident	88	Confident	72 Å²	72	41 Å²	41	34%	0.336	21%	0.212	S	C	.	.	H	α-helix	trans	-62.5	-43	174.1	-73.7	170	-176.7	0	0	111.5	Q87 I89 H95	Q87-E91 HydrophobicContact CG-CG 4.5Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.29Å; Q87-E91 PolarHBondContact NE2-OE1 2.96Å; Q87-E91 WeakPolarHBondContact O-CG 3.37Å; Q87-E91 PolarHBondContact O-N 3.18Å; I89-E91 VanDerWaalsContact C-N 3.33Å; I89-E91 PolarHBondContact O-N 2.77Å; E91-H95 PolarHBondContact O-N 2.79Å
92	A	90.6	Very high	88.3	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-46.4	173.7	0	0	0	0	0	112.4	N41 I42 Q88 I89 H95 C96 L126	N41-A92 HydrophobicContact CB-CB 3.95Å; N41-A92 WeakPolarHBondContact O-CB 3.14Å; I42-A92 HydrophobicContact CD1-CB 4.41Å; I42-A92 HydrophobicContact CG1-CB 3.84Å; Q88-A92 PolarHBondContact O-N 3.36Å; Q88-A92 VanDerWaalsContact O-N 3.11Å; I89-A92 WeakPolarHBondContact O-CB 3.35Å; I89-A92 PolarHBondContact O-N 2.95Å; A92-H95 PolarHBondContact O-N 3.31Å; A92-C96 PolarHBondContact O-N 3.13Å; A92-C96 PolarHBondContact O-SG 2.77Å; A92-L126 HydrophobicContact CB-CB 4.18Å; A92-L126 HydrophobicContact CB-CD2 4.26Å
93	V	88.5	Confident	88.5	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-42.4	179.5	171.3	0	0	0	0	111	I89 L90 H95 C96 H97 L106 D168 M169	I89-V93 HydrophobicContact CG2-CG2 4.4Å; I89-V93 WeakPolarHBondContact O-CG2 3.49Å; I89-V93 PolarHBondContact O-N 2.66Å; L90-V93 PolarHBondContact O-N 2.92Å; V93-H95 VanDerWaalsContact C-N 3.33Å; V93-H95 PolarHBondContact O-N 3.28Å; V93-C96 WeakPolarHBondContact O-CB 3.48Å; V93-C96 PolarHBondContact O-N 3.46Å; V93-H97 VanDerWaalsContact CG1-CE1 3.43Å; V93-H97 WeakPolarHBondContact CG1-CE1 3.45Å; V93-H97 PolarHBondContact O-CD2 2.95Å; V93-H97 PolarHBondContact O-N 3.45Å; V93-L106 HydrophobicContact CG2-CD1 3.88Å; V93-L106 HydrophobicContact CG2-CD2 4Å; V93-D168 HydrophobicContact CG1-CB 3.95Å; V93-M169 HydrophobicContact CG1-SD 4.17Å
94	L	89.4	Confident	88.3	Confident	96 Å²	96	36.3 Å²	36.3	50%	0.503	18%	0.179	S	C	.	.	H	α-helix	trans	-58.5	-45.9	175.1	177.6	62.6	0	0	0	111	L90 C96 H97 Q98	L90-L94 WeakPolarHBondContact O-CB 3.35Å; L90-L94 PolarHBondContact O-N 2.9Å; L94-C96 VanDerWaalsContact C-N 3.34Å; L94-C96 PolarHBondContact O-N 2.66Å; L94-H97 PolarHBondContact O-N 2.91Å; L94-Q98 HydrophobicContact CD1-CG 4.26Å; L94-Q98 HydrophobicContact CG-CG 4.46Å; L94-Q98 WeakPolarHBondContact O-CB 3.28Å; L94-Q98 VanDerWaalsContact O-CG 3.29Å; L94-Q98 WeakPolarHBondContact O-CG 3.25Å; L94-Q98 PolarHBondContact O-N 3.14Å
95	H	92.4	Very high	88	Confident	30 Å²	30	32.5 Å²	32.5	14%	0.139	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-43.5	176.2	-175.7	79.7	0	0	0	111.7	H39 E91 A92 V93 H97 Q98 M99	H39-H95 HydrophobicContact CB-CB 4.26Å; H39-H95 AromaticContact CD2-CG 3.96Å; E91-H95 PolarHBondContact O-N 2.79Å; A92-H95 PolarHBondContact O-N 3.31Å; V93-H95 VanDerWaalsContact C-N 3.33Å; V93-H95 PolarHBondContact O-N 3.28Å; H95-H97 PolarHBondContact O-N 3.3Å; H95-Q98 PolarHBondContact O-N 2.99Å; H95-M99 VanDerWaalsContact O-CG 3.32Å; H95-M99 WeakPolarHBondContact O-CG 3.39Å; H95-M99 PolarHBondContact O-N 2.98Å; H95-M99 VanDerWaalsContact O-N 3.1Å
96	C	91.3	Very high	87.1	Confident	1 Å²	1	32 Å²	32	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-56.9	-50.3	173.5	-66.8	0	0	0	0	111.4	L37 A92 V93 L94 Q98 M99 G100 V101	L37-C96 HydrophobicContact CD2-CB 4.45Å; A92-C96 PolarHBondContact O-N 3.13Å; A92-C96 PolarHBondContact O-SG 2.77Å; V93-C96 WeakPolarHBondContact O-CB 3.48Å; V93-C96 PolarHBondContact O-N 3.46Å; L94-C96 VanDerWaalsContact C-N 3.34Å; L94-C96 PolarHBondContact O-N 2.66Å; C96-Q98 VanDerWaalsContact C-N 3.34Å; C96-Q98 PolarHBondContact O-N 3.47Å; C96-M99 CarbonylContact O-C 3.59Å; C96-M99 PolarHBondContact O-N 3.05Å; C96-M99 VanDerWaalsContact O-N 3.09Å; C96-G100 PolarHBondContact O-N 3.41Å; C96-V101 CarbonylContact C-O 3.49Å; C96-V101 VanDerWaalsContact C-O 3.23Å; C96-V101 HydrophobicContact CB-CB 4.3Å; C96-V101 WeakPolarHBondContact O-CA 3.36Å; C96-V101 WeakPolarHBondContact O-CB 3.38Å; C96-V101 PolarHBondContact O-N 3.14Å
97	H	89.4	Confident	85.9	Confident	22 Å²	22	32.3 Å²	32.3	10%	0.102	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-37.1	-177.1	-70.9	-174.4	0	0	0	112.7	V93 L94 H95 M99 G100 V101 K165 D168	V93-H97 VanDerWaalsContact CG1-CE1 3.43Å; V93-H97 WeakPolarHBondContact CG1-CE1 3.45Å; V93-H97 PolarHBondContact O-CD2 2.95Å; V93-H97 PolarHBondContact O-N 3.45Å; L94-H97 PolarHBondContact O-N 2.91Å; H95-H97 PolarHBondContact O-N 3.3Å; H97-M99 VanDerWaalsContact C-N 3.3Å; H97-M99 PolarHBondContact O-N 3.48Å; H97-G100 PolarHBondContact O-N 2.91Å; H97-G100 VanDerWaalsContact O-N 3.1Å; H97-V101 PolarHBondContact CD2-O 3.28Å; H97-K165 HydrophobicContact CB-CD 3.97Å; H97-K165 HydrophobicContact CB-CG 4.22Å; H97-K165 PolarHBondContact CE1-O 3.33Å; H97-K165 PolarHBondContact NE2-O 2.95Å; H97-K165 WeakPolarHBondContact O-CE 3.25Å; H97-D168 IonicContact CD2-OD2 3.72Å; H97-D168 IonicContact CE1-OD2 2.83Å; H97-D168 IonicContact NE2-OD2 2.83Å; H97-D168 PolarHBondContact NE2-OD2 3.2Å
98	Q	90.3	Very high	83.7	Confident	125 Å²	125	29.6 Å²	29.6	58%	0.584	15%	0.151	S	C	*	.	H	α-helix	trans	-64.3	-35	173.6	-75.1	175.6	-10.1	0	0	112.1	L94 H95 C96 G100	L94-Q98 HydrophobicContact CD1-CG 4.26Å; L94-Q98 HydrophobicContact CG-CG 4.46Å; L94-Q98 WeakPolarHBondContact O-CB 3.28Å; L94-Q98 VanDerWaalsContact O-CG 3.29Å; L94-Q98 WeakPolarHBondContact O-CG 3.25Å; L94-Q98 PolarHBondContact O-N 3.14Å; H95-Q98 PolarHBondContact O-N 2.99Å; C96-Q98 VanDerWaalsContact C-N 3.34Å; C96-Q98 PolarHBondContact O-N 3.47Å; Q98-G100 PolarHBondContact O-N 3.31Å
99	M	92.1	Very high	81.8	Confident	78 Å²	78	33.7 Å²	33.7	38%	0.384	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	6.7	174.6	-63	-59	102.4	0	0	113.1	L36 L37 H95 C96 H97 V101	L36-M99 HydrophobicContact CD2-CB 3.97Å; L36-M99 HydrophobicContact CG-CB 4.24Å; L36-M99 HydrophobicContact CG-CG 4.45Å; L37-M99 HydrophobicContact CD2-CB 3.99Å; L37-M99 HydrophobicContact CD2-CG 4.11Å; H95-M99 VanDerWaalsContact O-CG 3.32Å; H95-M99 WeakPolarHBondContact O-CG 3.39Å; H95-M99 PolarHBondContact O-N 2.98Å; H95-M99 VanDerWaalsContact O-N 3.1Å; C96-M99 CarbonylContact O-C 3.59Å; C96-M99 PolarHBondContact O-N 3.05Å; C96-M99 VanDerWaalsContact O-N 3.09Å; H97-M99 VanDerWaalsContact C-N 3.3Å; H97-M99 PolarHBondContact O-N 3.48Å; M99-V101 VanDerWaalsContact C-N 3.3Å; M99-V101 HydrophobicContact CB-CG2 4.4Å; M99-V101 PolarHBondContact O-N 3Å
100	G	89.8	Confident	79.7	Confident	13 Å²	13	36.5 Å²	36.5	13%	0.134	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	27.4	-178.5	0	0	0	0	0	113	C96 H97 Q98 E134 V135	C96-G100 PolarHBondContact O-N 3.41Å; H97-G100 PolarHBondContact O-N 2.91Å; H97-G100 VanDerWaalsContact O-N 3.1Å; Q98-G100 PolarHBondContact O-N 3.31Å; G100-E134 CarbonylContact O-C 3.52Å; G100-E134 VanDerWaalsContact O-CA 3.28Å; G100-E134 WeakPolarHBondContact O-CA 3.45Å; G100-V135 PolarHBondContact O-N 3.09Å
101	V	89.9	Confident	78.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.6	179.1	178.7	0	0	0	0	109.7	I33 L36 L37 C96 H97 M99 A132 I133	I33-V101 HydrophobicContact CD1-CG1 4.43Å; I33-V101 HydrophobicContact CG1-CG2 4.46Å; I33-V101 HydrophobicContact CG2-CG1 3.69Å; I33-V101 HydrophobicContact CG2-CG2 4.11Å; L36-V101 HydrophobicContact CD2-CG2 4.24Å; L37-V101 HydrophobicContact CD1-CG1 4.37Å; L37-V101 HydrophobicContact CD2-CB 4.46Å; L37-V101 HydrophobicContact CD2-CG2 4.24Å; C96-V101 CarbonylContact C-O 3.49Å; C96-V101 VanDerWaalsContact C-O 3.23Å; C96-V101 HydrophobicContact CB-CB 4.3Å; C96-V101 WeakPolarHBondContact O-CA 3.36Å; C96-V101 WeakPolarHBondContact O-CB 3.38Å; C96-V101 PolarHBondContact O-N 3.14Å; H97-V101 PolarHBondContact CD2-O 3.28Å; M99-V101 VanDerWaalsContact C-N 3.3Å; M99-V101 HydrophobicContact CB-CG2 4.4Å; M99-V101 PolarHBondContact O-N 3Å; V101-A132 HydrophobicContact CG1-CB 4.05Å; V101-I133 WeakPolarHBondContact CA-O 3.45Å
102	V	88.1	Confident	77	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.4	168.7	-171.9	0	0	0	0	107.9	R104 A132 I133 V135 K165 V167 D168	V102-R104 HydrophobicContact CB-CG 4.15Å; V102-R104 HydrophobicContact CG1-CG 3.62Å; V102-A132 VanDerWaalsContact O-CA 3.25Å; V102-A132 WeakPolarHBondContact O-CA 3.33Å; V102-I133 HydrophobicContact CB-CG1 4.04Å; V102-I133 PolarHBondContact N-O 3.45Å; V102-I133 PolarHBondContact O-N 3.15Å; V102-V135 HydrophobicContact CG2-CB 4.38Å; V102-V135 HydrophobicContact CG2-CG1 3.72Å; V102-V135 HydrophobicContact CG2-CG2 3.69Å; V102-K165 HydrophobicContact CG2-CG 4Å; V102-V167 HydrophobicContact CG1-CG2 3.61Å; V102-D168 WeakPolarHBondContact CG1-OD2 3.43Å
103	H	85.8	Confident	76.2	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.177	C	C	.	.			trans	-73.4	-44.2	-175.5	-166.8	-65.1	0	0	0	111.7	D105 L106 A127 D128 F129 L131 A132 D168	H103-D105 VanDerWaalsContact CE1-C 3.47Å; H103-D105 PolarHBondContact CE1-O 3.45Å; H103-D105 PolarHBondContact ND1-N 3.18Å; H103-D105 PolarHBondContact ND1-O 2.99Å; H103-D105 PolarHBondContact O-N 3.19Å; H103-D105 VanDerWaalsContact O-N 3.08Å; H103-L106 HydrophobicContact CB-CD2 3.7Å; H103-L106 HydrophobicContact CB-CG 4.24Å; H103-L106 PolarHBondContact ND1-N 3.13Å; H103-A127 PolarHBondContact NE2-O 3.34Å; H103-D128 PolarHBondContact CE1-O 3.33Å; H103-D128 PolarHBondContact NE2-O 2.89Å; H103-F129 AromaticContact CD2-CD1 3.72Å; H103-F129 AromaticContact CD2-CE1 3.48Å; H103-F129 VanDerWaalsContact CD2-CE1 3.48Å; H103-F129 WeakPolarHBondContact CD2-CE1 2.87Å; H103-F129 AromaticContact CD2-CZ 3.99Å; H103-L131 CarbonylContact O-C 3.52Å; H103-A132 WeakPolarHBondContact O-CA 3.41Å; H103-A132 PolarHBondContact O-N 2.87Å; H103-D168 PolarHBondContact N-OD1 3.42Å; H103-D168 PolarHBondContact N-OD2 2.62Å
104	R	80.9	Confident	75.8	Confident	22 Å²	22	36.2 Å²	36.2	8%	0.083	19%	0.185	C	C	.	.	S	Bend	trans	63.8	3	179.4	-51.2	-169.9	-64.3	158.3	2.5	116.1	V102 L131 I133 A144 Y163 V167 D168	V102-R104 HydrophobicContact CB-CG 4.15Å; V102-R104 HydrophobicContact CG1-CG 3.62Å; R104-L131 PolarHBondContact NE-O 2.93Å; R104-L131 PolarHBondContact NH2-O 3.34Å; R104-I133 HydrophobicContact CG-CG1 4.29Å; R104-I133 VanDerWaalsContact NH2-CG2 3.28Å; R104-A144 VanDerWaalsContact NH1-C 3.34Å; R104-A144 PolarHBondContact NH1-O 3.06Å; R104-Y163 HydrophobicContact CG-CE2 4.34Å; R104-Y163 PolarHBondContact NH1-OH 3.46Å; R104-V167 HydrophobicContact CG-CG2 4.31Å; R104-D168 PolarHBondContact N-OD1 2.87Å
105	D	76.1	Confident	75.4	Confident	10 Å²	10	32 Å²	32	5%	0.053	16%	0.162	C	C	.	.			trans	-157.4	46.1	-173.8	-163.2	37.7	0	0	0	112	H103 K107 S108 N112 L131	H103-D105 VanDerWaalsContact CE1-C 3.47Å; H103-D105 PolarHBondContact CE1-O 3.45Å; H103-D105 PolarHBondContact ND1-N 3.18Å; H103-D105 PolarHBondContact ND1-O 2.99Å; H103-D105 PolarHBondContact O-N 3.19Å; H103-D105 VanDerWaalsContact O-N 3.08Å; D105-K107 PolarHBondContact O-N 3.33Å; D105-S108 WeakPolarHBondContact OD1-CA 3.49Å; D105-S108 WeakPolarHBondContact OD1-CB 3.4Å; D105-S108 PolarHBondContact OD1-N 2.91Å; D105-S108 VanDerWaalsContact OD1-N 3.16Å; D105-S108 WeakPolarHBondContact OD2-CB 3.25Å; D105-S108 PolarHBondContact OD2-OG 2.83Å; D105-N112 PolarHBondContact O-ND2 3.47Å; D105-N112 VanDerWaalsContact O-ND2 3.09Å; D105-L131 HydrophobicContact CB-CB 3.9Å; D105-L131 HydrophobicContact CB-CD1 3.79Å; D105-L131 HydrophobicContact CB-CG 4.32Å
106	L	66.6	Low	75	Confident	3 Å²	3	32 Å²	32	2%	0.016	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-13.3	178.7	-67.3	-179.1	0	0	0	112.8	V93 H103 L126 D168 A171 I175	V93-L106 HydrophobicContact CG2-CD1 3.88Å; V93-L106 HydrophobicContact CG2-CD2 4Å; H103-L106 HydrophobicContact CB-CD2 3.7Å; H103-L106 HydrophobicContact CB-CG 4.24Å; H103-L106 PolarHBondContact ND1-N 3.13Å; L106-L126 HydrophobicContact CD2-CD1 3.7Å; L106-L126 HydrophobicContact CD2-CD2 3.78Å; L106-L126 HydrophobicContact CD2-CG 4.39Å; L106-D168 HydrophobicContact CD1-CB 3.83Å; L106-D168 VanDerWaalsContact CD1-O 3.23Å; L106-D168 WeakPolarHBondContact CD1-O 3.49Å; L106-D168 HydrophobicContact CG-CB 4.47Å; L106-A171 HydrophobicContact CB-CB 4.12Å; L106-A171 HydrophobicContact CD1-CB 4.03Å; L106-A171 HydrophobicContact CG-CB 4.48Å; L106-I175 HydrophobicContact CB-CD1 4.38Å
107	K	60.6	Low	74.6	Confident	23 Å²	23	33.5 Å²	33.5	10%	0.1	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-154.4	63.3	177.9	-167.4	149.5	167.6	-160.7	0	112.8	F68 D105 T149 Y152 I175 I178	F68-K107 HydrophobicContact CE2-CD 3.69Å; F68-K107 HydrophobicContact CZ-CD 4.01Å; D105-K107 PolarHBondContact O-N 3.33Å; K107-T149 VanDerWaalsContact O-CB 3.24Å; K107-T149 WeakPolarHBondContact O-CB 3.33Å; K107-Y152 HydrophobicContact CB-CD1 3.8Å; K107-Y152 HydrophobicContact CB-CD2 3.82Å; K107-Y152 HydrophobicContact CB-CE1 3.98Å; K107-Y152 HydrophobicContact CB-CE2 4Å; K107-Y152 HydrophobicContact CB-CG 3.78Å; K107-Y152 HydrophobicContact CD-CD1 4.07Å; K107-Y152 HydrophobicContact CD-CD2 4.47Å; K107-Y152 HydrophobicContact CD-CE1 3.35Å; K107-Y152 HydrophobicContact CD-CE2 3.84Å; K107-Y152 WeakPolarHBondContact CD-OH 3.34Å; K107-Y152 WeakPolarHBondContact CE-OH 3.48Å; K107-Y152 HydrophobicContact CG-CD1 4.21Å; K107-Y152 HydrophobicContact CG-CD2 3.94Å; K107-Y152 HydrophobicContact CG-CE1 3.87Å; K107-Y152 HydrophobicContact CG-CE2 3.59Å; K107-Y152 HydrophobicContact CG-CG 4.28Å; K107-Y152 PolarHBondContact NZ-OH 3.16Å; K107-Y152 WeakPolarHBondContact O-CD2 3.08Å; K107-I175 HydrophobicContact CD-CG1 4.25Å; K107-I178 VanDerWaalsContact NZ-CD1 3.34Å
108	S	40.9	Very low	74.1	Confident	38 Å²	38	41 Å²	41	27%	0.266	21%	0.211	S	C	.	.	S	Bend	trans	-71.4	-27.8	164.4	51.7	0	0	0	0	113.2	D105 T149	D105-S108 WeakPolarHBondContact OD1-CA 3.49Å; D105-S108 WeakPolarHBondContact OD1-CB 3.4Å; D105-S108 PolarHBondContact OD1-N 2.91Å; D105-S108 VanDerWaalsContact OD1-N 3.16Å; D105-S108 WeakPolarHBondContact OD2-CB 3.25Å; D105-S108 PolarHBondContact OD2-OG 2.83Å; S108-T149 WeakPolarHBondContact CA-OG1 3.38Å; S108-T149 WeakPolarHBondContact CB-OG1 3.41Å; S108-T149 PolarHBondContact O-OG1 2.91Å
109	K	49.6	Very low	73.6	Confident	101 Å²	101	41.4 Å²	41.4	44%	0.439	22%	0.216	S	C	.	.	S	Bend	trans	-144.6	157.9	-173.8	-62.8	-159	-176.1	177.1	0	110.3	E111 N112	K109-E111 HydrophobicContact CB-CB 4.05Å; K109-E111 HydrophobicContact CB-CG 3.9Å; K109-E111 HydrophobicContact CD-CG 4.18Å; K109-E111 WeakPolarHBondContact CD-OE1 3.23Å; K109-E111 IonicContact NZ-OE1 3.32Å; K109-E111 PolarHBondContact NZ-OE1 3.46Å; K109-E111 IonicContact NZ-OE2 2.84Å; K109-E111 PolarHBondContact O-N 3.43Å; K109-N112 PolarHBondContact O-N 3.13Å
110	P	43.7	Very low	72.7	Confident	63 Å²	63	46.8 Å²	46.8	41%	0.409	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-65.8	-6.7	174	35.2	-39.4	0	0	0	112.3	E66	E66-P110 WeakPolarHBondContact CB-O 3.49Å; E66-P110 VanDerWaalsContact CD-C 3.46Å; E66-P110 WeakPolarHBondContact CG-O 3.44Å; E66-P110 WeakPolarHBondContact OE2-CB 3.19Å; E66-P110 WeakPolarHBondContact OE2-CG 3.48Å
111	E	54.1	Low	71.9	Confident	91 Å²	91	48.6 Å²	48.6	43%	0.425	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-73.9	-13.5	176.6	-47.8	178.1	-138.5	0	0	116.8	K109 L114	K109-E111 HydrophobicContact CB-CB 4.05Å; K109-E111 HydrophobicContact CB-CG 3.9Å; K109-E111 HydrophobicContact CD-CG 4.18Å; K109-E111 WeakPolarHBondContact CD-OE1 3.23Å; K109-E111 IonicContact NZ-OE1 3.32Å; K109-E111 PolarHBondContact NZ-OE1 3.46Å; K109-E111 IonicContact NZ-OE2 2.84Å; K109-E111 PolarHBondContact O-N 3.43Å; E111-L114 WeakPolarHBondContact O-CD2 3.25Å; E111-L114 WeakPolarHBondContact O-CG 3.47Å
112	N	67.7	Low	71.5	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-90.2	-16.5	-169	-70.7	-0.2	0	0	0	115	D105 K109 L126 A127 D128	D105-N112 PolarHBondContact O-ND2 3.47Å; D105-N112 VanDerWaalsContact O-ND2 3.09Å; K109-N112 PolarHBondContact O-N 3.13Å; N112-L126 WeakPolarHBondContact O-CA 3.34Å; N112-A127 PolarHBondContact O-N 3.4Å; N112-D128 WeakPolarHBondContact OD1-CB 3.39Å
113	L	72.6	Confident	71.5	Confident	5 Å²	5	51 Å²	51	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	93.1	172.8	-67	175.9	0	0	0	108	L67 F68 I89 V124 L126 I175	L67-L113 HydrophobicContact CB-CB 3.91Å; L67-L113 WeakPolarHBondContact CB-O 3.43Å; L67-L113 HydrophobicContact CD2-CB 4.1Å; L67-L113 HydrophobicContact CD2-CD1 3.91Å; L67-L113 PolarHBondContact N-O 2.92Å; F68-L113 HydrophobicContact CE2-CD1 4.13Å; F68-L113 HydrophobicContact CZ-CD1 4.36Å; I89-L113 HydrophobicContact CD1-CD1 3.71Å; I89-L113 HydrophobicContact CD1-CD2 3.87Å; I89-L113 HydrophobicContact CD1-CG 4.44Å; I89-L113 HydrophobicContact CG1-CD2 3.8Å; L113-V124 HydrophobicContact CB-CG1 4.35Å; L113-V124 HydrophobicContact CD2-CG1 4.04Å; L113-L126 HydrophobicContact CD2-CD1 4.17Å; L113-I175 HydrophobicContact CD1-CD1 4.09Å; L113-I175 HydrophobicContact CD1-CG1 4.48Å; L113-I175 HydrophobicContact CD1-CG2 4.14Å
114	L	81.2	Confident	71.6	Confident	36 Å²	36	51.2 Å²	51.2	19%	0.188	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143	-173.9	-60.2	176.6	0	0	0	111	V62 G65 E111 V124 K125 A127	V62-L114 HydrophobicContact CB-CB 4.31Å; V62-L114 HydrophobicContact CB-CD1 4.14Å; V62-L114 HydrophobicContact CG1-CB 3.55Å; V62-L114 HydrophobicContact CG1-CD1 4.27Å; V62-L114 HydrophobicContact CG2-CD1 4.48Å; G65-L114 WeakPolarHBondContact O-CA 2.9Å; E111-L114 WeakPolarHBondContact O-CD2 3.25Å; E111-L114 WeakPolarHBondContact O-CG 3.47Å; L114-V124 CarbonylContact O-C 3.23Å; L114-V124 WeakPolarHBondContact O-CA 3.5Å; L114-K125 PolarHBondContact N-O 2.96Å; L114-K125 PolarHBondContact O-N 3.11Å; L114-A127 HydrophobicContact CD1-CB 3.88Å; L114-A127 HydrophobicContact CG-CB 4.36Å
115	L	81.2	Confident	72	Confident	6 Å²	6	51.8 Å²	51.8	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.5	170.7	-68	175.1	0	0	0	109.8	V62 G64 G65 L67 D70 S117 A122 V124	V62-L115 WeakPolarHBondContact CG1-O 3.48Å; G64-L115 WeakPolarHBondContact CA-O 3.46Å; G64-L115 PolarHBondContact N-O 2.81Å; G65-L115 PolarHBondContact O-N 2.71Å; L67-L115 HydrophobicContact CD1-CD2 3.99Å; D70-L115 HydrophobicContact CB-CD1 3.42Å; D70-L115 VanDerWaalsContact CB-CD1 3.42Å; D70-L115 VanDerWaalsContact CG-CD1 3.42Å; D70-L115 WeakPolarHBondContact OD2-CD1 3.3Å; L115-S117 PolarHBondContact O-N 2.65Å; L115-A122 HydrophobicContact CB-CB 4.36Å; L115-V124 HydrophobicContact CD2-CG2 4.14Å
116	A	82.3	Confident	72.6	Confident	31 Å²	31	51.4 Å²	51.4	26%	0.256	28%	0.279	S	S	.	.	S	Bend	trans	-52.1	-33.4	-179.4	0	0	0	0	0	113.2	A123 K125	A116-A123 HydrophobicContact CB-CB 4.3Å; A116-A123 WeakPolarHBondContact CB-O 3.24Å; A116-A123 PolarHBondContact N-O 2.84Å; A116-K125 HydrophobicContact CB-CD 4.25Å
117	S	83.9	Confident	73.5	Confident	32 Å²	32	51.9 Å²	51.9	22%	0.224	28%	0.282	C	S	.	.	S	Bend	trans	-156.5	172.8	177	70.9	0	0	0	0	110.7	G64 L115 L119 A122	G64-S117 WeakPolarHBondContact CA-O 3.3Å; L115-S117 PolarHBondContact O-N 2.65Å; S117-L119 PolarHBondContact O-N 3.16Å; S117-L119 WeakPolarHBondContact OG-CB 3.32Å; S117-L119 PolarHBondContact OG-N 3.02Å; S117-A122 WeakPolarHBondContact O-CB 3.3Å
118	K	79.4	Confident	74.6	Confident	181 Å²	181	53.6 Å²	53.6	79%	0.787	29%	0.293	S	S	*	.	S	Bend	trans	-77.6	2.6	174.5	-62.6	-172.8	176.9	-173.9	0	114.1
119	L	79.4	Confident	76.7	Confident	132 Å²	132	52 Å²	52	69%	0.691	28%	0.281	S	S	*	.	S	Bend	trans	-72.2	143.3	179.1	-61.9	176.4	0	0	0	110.1	S117 G121 A122	S117-L119 PolarHBondContact O-N 3.16Å; S117-L119 WeakPolarHBondContact OG-CB 3.32Å; S117-L119 PolarHBondContact OG-N 3.02Å; L119-G121 PolarHBondContact O-N 3.46Å; L119-A122 VanDerWaalsContact O-CB 3.31Å; L119-A122 WeakPolarHBondContact O-CB 3.08Å; L119-A122 PolarHBondContact O-N 3.19Å
120	K	72.8	Confident	78.3	Confident	191 Å²	191	48 Å²	48	83%	0.83	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	127	174.9	-170.4	176	-178.6	176.8	0	109.6
121	G	72.3	Confident	80.2	Confident	51 Å²	51	47.7 Å²	47.7	53%	0.526	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	18.6	-176.8	0	0	0	0	0	114.4	L119	L119-G121 PolarHBondContact O-N 3.46Å
122	A	83.3	Confident	81.8	Confident	15 Å²	15	43.4 Å²	43.4	12%	0.124	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-56	143.8	171.3	0	0	0	0	0	111.7	L115 S117 L119	L115-A122 HydrophobicContact CB-CB 4.36Å; S117-A122 WeakPolarHBondContact O-CB 3.3Å; L119-A122 VanDerWaalsContact O-CB 3.31Å; L119-A122 WeakPolarHBondContact O-CB 3.08Å; L119-A122 PolarHBondContact O-N 3.19Å
123	A	86.4	Confident	82.8	Confident	37 Å²	37	43.9 Å²	43.9	31%	0.306	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-64.8	135.8	178.1	0	0	0	0	0	111.4	Q88 A116	Q88-A123 VanDerWaalsContact OE1-CA 3.26Å; A116-A123 HydrophobicContact CB-CB 4.3Å; A116-A123 WeakPolarHBondContact CB-O 3.24Å; A116-A123 PolarHBondContact N-O 2.84Å
124	V	88.1	Confident	83.5	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	131.4	168.1	-175.3	0	0	0	0	108.5	N41 L67 Q88 I89 L113 L114 L115	N41-V124 WeakPolarHBondContact CA-O 3.4Å; N41-V124 VanDerWaalsContact CB-O 3.29Å; N41-V124 WeakPolarHBondContact CB-O 3.27Å; N41-V124 PolarHBondContact ND2-O 3.39Å; L67-V124 HydrophobicContact CD1-CG2 4.22Å; L67-V124 HydrophobicContact CD2-CG1 4.49Å; Q88-V124 HydrophobicContact CB-CB 4.23Å; I89-V124 HydrophobicContact CG1-CG1 3.99Å; L113-V124 HydrophobicContact CB-CG1 4.35Å; L113-V124 HydrophobicContact CD2-CG1 4.04Å; L114-V124 CarbonylContact O-C 3.23Å; L114-V124 WeakPolarHBondContact O-CA 3.5Å; L115-V124 HydrophobicContact CD2-CG2 4.14Å
125	K	88.9	Confident	83.7	Confident	34 Å²	34	46.8 Å²	46.8	15%	0.148	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.1	177.5	-72.2	-179.2	169.5	-75.9	0	109.8	A40 N41 V43 D60 V62 L114 A116	A40-K125 PolarHBondContact O-NZ 2.83Å; N41-K125 CarbonylContact O-C 3.49Å; N41-K125 WeakPolarHBondContact O-CA 3.3Å; V43-K125 HydrophobicContact CG2-CB 3.86Å; D60-K125 IonicContact OD2-NZ 2.79Å; V62-K125 HydrophobicContact CG2-CD 3.93Å; L114-K125 PolarHBondContact N-O 2.96Å; L114-K125 PolarHBondContact O-N 3.11Å; A116-K125 HydrophobicContact CB-CD 4.25Å
126	L	88.9	Confident	83.7	Confident	3 Å²	3	54 Å²	54	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.8	171.9	-174.1	62.2	0	0	0	110	N41 I42 V43 A92 L106 N112 L113 F129	N41-L126 PolarHBondContact O-N 3.36Å; I42-L126 HydrophobicContact CG1-CB 4.45Å; V43-L126 PolarHBondContact N-O 3.06Å; A92-L126 HydrophobicContact CB-CB 4.18Å; A92-L126 HydrophobicContact CB-CD2 4.26Å; L106-L126 HydrophobicContact CD2-CD1 3.7Å; L106-L126 HydrophobicContact CD2-CD2 3.78Å; L106-L126 HydrophobicContact CD2-CG 4.39Å; N112-L126 WeakPolarHBondContact O-CA 3.34Å; L113-L126 HydrophobicContact CD2-CD1 4.17Å; L126-F129 HydrophobicContact CD2-CE1 4.48Å; L126-F129 HydrophobicContact CD2-CZ 4.11Å; L126-F129 HydrophobicContact CG-CZ 4.24Å
127	A	86.4	Confident	83.4	Confident	12 Å²	12	54.9 Å²	54.9	10%	0.099	31%	0.305	C	S	.	.			trans	-122.8	167.9	-179.6	0	0	0	0	0	111.8	V43 H103 N112 L114	V43-A127 HydrophobicContact CB-CB 4.36Å; V43-A127 HydrophobicContact CG2-CB 3.75Å; H103-A127 PolarHBondContact NE2-O 3.34Å; N112-A127 PolarHBondContact O-N 3.4Å; L114-A127 HydrophobicContact CD1-CB 3.88Å; L114-A127 HydrophobicContact CG-CB 4.36Å
128	D	83.3	Confident	82.8	Confident	59 Å²	59	60 Å²	60	32%	0.316	33%	0.33	S	S	.	.			trans	60.9	89.5	174.5	-160.2	3.6	0	0	0	117.1	K12 H103 N112 G130	K12-D128 IonicContact NZ-OD1 3.48Å; K12-D128 PolarHBondContact NZ-OD1 3.13Å; H103-D128 PolarHBondContact CE1-O 3.33Å; H103-D128 PolarHBondContact NE2-O 2.89Å; N112-D128 WeakPolarHBondContact OD1-CB 3.39Å; D128-G130 PolarHBondContact OD1-N 3.17Å; D128-G130 VanDerWaalsContact OD1-N 3.15Å
129	F	85.9	Confident	82.5	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.018	32%	0.322	C	S	.	.			trans	-95.3	20.3	176.1	-65.8	-95	0	0	0	113.2	I33 L37 I42 H103 L126 L131 A132	I33-F129 HydrophobicContact CG2-CB 4.15Å; I33-F129 HydrophobicContact CG2-CD1 3.98Å; I33-F129 HydrophobicContact CG2-CG 4.25Å; L37-F129 HydrophobicContact CD1-CD1 3.57Å; L37-F129 HydrophobicContact CD1-CE1 3.15Å; L37-F129 HydrophobicContact CD1-CE2 4.24Å; L37-F129 HydrophobicContact CD1-CG 4.26Å; L37-F129 HydrophobicContact CD1-CZ 3.54Å; I42-F129 HydrophobicContact CD1-CZ 4.44Å; I42-F129 HydrophobicContact CG2-CE2 3.63Å; I42-F129 HydrophobicContact CG2-CZ 3.65Å; H103-F129 AromaticContact CD2-CD1 3.72Å; H103-F129 AromaticContact CD2-CE1 3.48Å; H103-F129 VanDerWaalsContact CD2-CE1 3.48Å; H103-F129 WeakPolarHBondContact CD2-CE1 2.87Å; H103-F129 AromaticContact CD2-CZ 3.99Å; L126-F129 HydrophobicContact CD2-CE1 4.48Å; L126-F129 HydrophobicContact CD2-CZ 4.11Å; L126-F129 HydrophobicContact CG-CZ 4.24Å; F129-L131 PolarHBondContact O-N 3.42Å; F129-A132 HydrophobicContact CB-CB 3.85Å; F129-A132 HydrophobicContact CD1-CB 3.92Å; F129-A132 HydrophobicContact CG-CB 4.41Å; F129-A132 VanDerWaalsContact O-CB 3.28Å; F129-A132 WeakPolarHBondContact O-CB 3.36Å; F129-A132 PolarHBondContact O-N 3.33Å
130	G	83.1	Confident	82.2	Confident	17 Å²	17	56.7 Å²	56.7	18%	0.175	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.5	-177.6	0	0	0	0	0	114.4	D128	D128-G130 PolarHBondContact OD1-N 3.17Å; D128-G130 VanDerWaalsContact OD1-N 3.15Å
131	L	83.3	Confident	81.9	Confident	58 Å²	58	48.9 Å²	48.9	30%	0.304	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	0.1	173.8	-65.6	-173.5	0	0	0	113.9	H103 R104 D105 F129 A147	H103-L131 CarbonylContact O-C 3.52Å; R104-L131 PolarHBondContact NE-O 2.93Å; R104-L131 PolarHBondContact NH2-O 3.34Å; D105-L131 HydrophobicContact CB-CB 3.9Å; D105-L131 HydrophobicContact CB-CD1 3.79Å; D105-L131 HydrophobicContact CB-CG 4.32Å; F129-L131 PolarHBondContact O-N 3.42Å; L131-A147 HydrophobicContact CD1-CB 4.19Å; L131-A147 HydrophobicContact CD2-CB 4.48Å
132	A	87.4	Confident	81.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.			trans	-66.1	151.2	-179.3	0	0	0	0	0	112.2	R29 I33 V101 V102 H103 F129	R29-A132 PolarHBondContact NE-O 3.5Å; I33-A132 HydrophobicContact CD1-CB 3.77Å; I33-A132 HydrophobicContact CG2-CB 4.19Å; V101-A132 HydrophobicContact CG1-CB 4.05Å; V102-A132 VanDerWaalsContact O-CA 3.25Å; V102-A132 WeakPolarHBondContact O-CA 3.33Å; H103-A132 WeakPolarHBondContact O-CA 3.41Å; H103-A132 PolarHBondContact O-N 2.87Å; F129-A132 HydrophobicContact CB-CB 3.85Å; F129-A132 HydrophobicContact CD1-CB 3.92Å; F129-A132 HydrophobicContact CG-CB 4.41Å; F129-A132 VanDerWaalsContact O-CB 3.28Å; F129-A132 WeakPolarHBondContact O-CB 3.36Å; F129-A132 PolarHBondContact O-N 3.33Å
133	I	87.9	Confident	80.2	Confident	14 Å²	14	64.9 Å²	64.9	7%	0.072	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.7	175.4	58.1	169.5	0	0	0	110.7	V101 V102 R104 V135 A141 A144	V101-I133 WeakPolarHBondContact CA-O 3.45Å; V102-I133 HydrophobicContact CB-CG1 4.04Å; V102-I133 PolarHBondContact N-O 3.45Å; V102-I133 PolarHBondContact O-N 3.15Å; R104-I133 HydrophobicContact CG-CG1 4.29Å; R104-I133 VanDerWaalsContact NH2-CG2 3.28Å; I133-V135 HydrophobicContact CD1-CG1 3.99Å; I133-V135 HydrophobicContact CG1-CG1 4.28Å; I133-A141 HydrophobicContact CD1-CB 4.14Å; I133-A144 HydrophobicContact CD1-CB 3.73Å
134	E	88.4	Confident	79	Confident	86 Å²	86	64 Å²	64	40%	0.402	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.9	168.9	-68.6	162.3	110.5	0	0	109.1	R32 I33 G100	R32-E134 IonicContact CZ-OE2 2.66Å; R32-E134 IonicContact NE-OE1 3.99Å; R32-E134 PolarHBondContact NE-OE1 3.22Å; R32-E134 IonicContact NE-OE2 2.91Å; R32-E134 PolarHBondContact NE-OE2 3.03Å; R32-E134 IonicContact NH2-OE2 3.93Å; R32-E134 PolarHBondContact NH2-OE2 3.04Å; I33-E134 HydrophobicContact CD1-CG 4.21Å; I33-E134 HydrophobicContact CG1-CG 4.02Å; G100-E134 CarbonylContact O-C 3.52Å; G100-E134 VanDerWaalsContact O-CA 3.28Å; G100-E134 WeakPolarHBondContact O-CA 3.45Å
135	V	84.8	Confident	78	Confident	16 Å²	16	65.9 Å²	65.9	10%	0.097	35%	0.346	C	S	.	.			trans	-124	142.9	176.5	-63.1	0	0	0	0	109.3	G100 V102 I133 A141 K165	G100-V135 PolarHBondContact O-N 3.09Å; V102-V135 HydrophobicContact CG2-CB 4.38Å; V102-V135 HydrophobicContact CG2-CG1 3.72Å; V102-V135 HydrophobicContact CG2-CG2 3.69Å; I133-V135 HydrophobicContact CD1-CG1 3.99Å; I133-V135 HydrophobicContact CG1-CG1 4.28Å; V135-A141 HydrophobicContact CG1-CB 4.43Å; V135-K165 HydrophobicContact CG2-CG 4.45Å
136	Q	80.6	Confident	77.5	Confident	156 Å²	156	70 Å²	70	73%	0.729	36%	0.364	S	S	*	.			trans	-90	113.6	177.6	-69	-168.7	-4.1	0	0	110.3	D138 Q139	Q136-D138 PolarHBondContact O-N 3.43Å; Q136-Q139 WeakPolarHBondContact O-CB 3.49Å; Q136-Q139 WeakPolarHBondContact O-CG 3.44Å; Q136-Q139 PolarHBondContact O-N 3.38Å; Q136-Q139 VanDerWaalsContact O-N 3.13Å
137	G	76.7	Confident	76.9	Confident	51 Å²	51	70.9 Å²	70.9	53%	0.526	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-126.6	-178.8	0	0	0	0	0	111.5	K165	G137-K165 VanDerWaalsContact O-CE 3.25Å; G137-K165 WeakPolarHBondContact O-CE 3.06Å; G137-K165 PolarHBondContact O-NZ 3.28Å
138	D	72.3	Confident	76.5	Confident	138 Å²	138	71.4 Å²	71.4	74%	0.738	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	16.5	177.8	-59.1	-37.7	0	0	0	112.8	Q136 Q140 K165	Q136-D138 PolarHBondContact O-N 3.43Å; D138-Q140 PolarHBondContact O-N 3.2Å; D138-K165 IonicContact OD1-NZ 3.21Å; D138-K165 PolarHBondContact OD1-NZ 3.19Å
139	Q	72.8	Confident	76.4	Confident	135 Å²	135	70.5 Å²	70.5	63%	0.631	37%	0.374	S	S	*	.			trans	-66	129.4	176.3	-68.1	-175.9	2.2	0	0	111	Q136	Q136-Q139 WeakPolarHBondContact O-CB 3.49Å; Q136-Q139 WeakPolarHBondContact O-CG 3.44Å; Q136-Q139 PolarHBondContact O-N 3.38Å; Q136-Q139 VanDerWaalsContact O-N 3.13Å
140	Q	72.9	Confident	76.3	Confident	109 Å²	109	72 Å²	72	51%	0.509	39%	0.385	S	S	.	.			trans	-76.7	134.3	171.3	-67.3	175.7	-11.6	0	0	110.1	D138 W142 P162 Y163	D138-Q140 PolarHBondContact O-N 3.2Å; Q140-W142 PolarHBondContact O-N 3.37Å; Q140-P162 HydrophobicContact CB-CB 3.77Å; Q140-P162 PolarHBondContact OE1-O 2.96Å; Q140-Y163 CarbonylContact C-O 3.57Å; Q140-Y163 WeakPolarHBondContact CA-O 3.28Å
141	A	66.6	Low	76.3	Confident	27 Å²	27	72 Å²	72	22%	0.223	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-91.7	102.7	-174.5	0	0	0	0	0	111	I133 V135 F143 A144 Y163	I133-A141 HydrophobicContact CD1-CB 4.14Å; V135-A141 HydrophobicContact CG1-CB 4.43Å; A141-F143 PolarHBondContact O-N 3Å; A141-A144 HydrophobicContact CB-CB 3.96Å; A141-A144 PolarHBondContact O-N 3.46Å; A141-Y163 PolarHBondContact N-O 2.83Å
142	W	60.2	Low	76.3	Confident	198 Å²	198	70.9 Å²	70.9	75%	0.75	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.1	175.7	-71.9	76.8	0	0	0	113.8	Q140 P162	Q140-W142 PolarHBondContact O-N 3.37Å; W142-P162 HydrophobicContact CD2-CB 4.12Å; W142-P162 HydrophobicContact CD2-CG 3.52Å; W142-P162 HydrophobicContact CE3-CG 3.78Å; W142-P162 HydrophobicContact CG-CB 4.25Å; W142-P162 HydrophobicContact CG-CG 4.17Å; W142-P162 HydrophobicContact CH2-CG 3.62Å; W142-P162 HydrophobicContact CZ2-CB 4.4Å; W142-P162 HydrophobicContact CZ2-CG 3.34Å; W142-P162 HydrophobicContact CZ3-CG 3.82Å
143	F	59.3	Low	76.2	Confident	204 Å²	204	71.2 Å²	71.2	90%	0.895	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	7.6	-171.8	-56.8	-75	0	0	0	114.3	A141 G145	A141-F143 PolarHBondContact O-N 3Å; F143-G145 PolarHBondContact O-N 2.83Å
144	A	60.9	Low	76	Confident	18 Å²	18	70.6 Å²	70.6	15%	0.149	38%	0.375	C	S	.	.	S	Bend	trans	-67.6	-23	-173.9	0	0	0	0	0	112.3	R104 I133 A141 Y163	R104-A144 VanDerWaalsContact NH1-C 3.34Å; R104-A144 PolarHBondContact NH1-O 3.06Å; I133-A144 HydrophobicContact CD1-CB 3.73Å; A141-A144 HydrophobicContact CB-CB 3.96Å; A141-A144 PolarHBondContact O-N 3.46Å; A144-Y163 VanDerWaalsContact C-OH 3.31Å; A144-Y163 HydrophobicContact CB-CE1 3.93Å; A144-Y163 HydrophobicContact CB-CE2 3.62Å; A144-Y163 WeakPolarHBondContact CB-OH 3.4Å; A144-Y163 PolarHBondContact O-OH 3.37Å
145	G	68.3	Low	75.8	Confident	45 Å²	45	67 Å²	67	46%	0.464	36%	0.359	S	S	.	.			trans	76.6	174.8	174.9	0	0	0	0	0	113.4	F143 A147 Y163	F143-G145 PolarHBondContact O-N 2.83Å; G145-A147 PolarHBondContact O-N 3.35Å; G145-Y163 PolarHBondContact O-OH 3.24Å
146	F	78.4	Confident	75.7	Confident	120 Å²	120	68.2 Å²	68.2	53%	0.526	36%	0.363	S	S	.	.	S	Bend	trans	-84.7	110.2	177.3	-172.9	-91.9	0	0	0	109.7	L153 V157 L158	F146-L153 HydrophobicContact CE1-CD1 4.19Å; F146-L153 HydrophobicContact CE2-CD1 3.99Å; F146-L153 HydrophobicContact CZ-CD1 3.5Å; F146-V157 HydrophobicContact CD2-CG1 4.16Å; F146-V157 HydrophobicContact CE2-CG1 4.46Å; F146-L158 HydrophobicContact CE2-CD2 3.83Å; F146-L158 HydrophobicContact CZ-CD2 4.17Å
147	A	75.9	Confident	76	Confident	22 Å²	22	61.1 Å²	61.1	18%	0.182	33%	0.331	C	S	.	.			trans	-152.3	151	-178.8	0	0	0	0	0	110.4	L131 G145 L153	L131-A147 HydrophobicContact CD1-CB 4.19Å; L131-A147 HydrophobicContact CD2-CB 4.48Å; G145-A147 PolarHBondContact O-N 3.35Å; A147-L153 VanDerWaalsContact O-CD2 3.32Å; A147-L153 WeakPolarHBondContact O-CD2 3.24Å
148	G	78.1	Confident	76.4	Confident	22 Å²	22	59.7 Å²	59.7	23%	0.227	31%	0.311	C	S	.	.	S	Bend	trans	118.7	170.6	-176.2	0	0	0	0	0	112.2
149	T	80.1	Confident	77	Confident	40 Å²	40	59 Å²	59	25%	0.245	30%	0.298	C	S	.	.			trans	-89.5	134	179.9	-87.4	0	0	0	0	113.1	K107 S108 G151 Y152 L153	K107-T149 VanDerWaalsContact O-CB 3.24Å; K107-T149 WeakPolarHBondContact O-CB 3.33Å; S108-T149 WeakPolarHBondContact CA-OG1 3.38Å; S108-T149 WeakPolarHBondContact CB-OG1 3.41Å; S108-T149 PolarHBondContact O-OG1 2.91Å; T149-G151 VanDerWaalsContact C-N 3.33Å; T149-G151 PolarHBondContact O-N 2.86Å; T149-Y152 HydrophobicContact CG2-CD2 3.8Å; T149-Y152 HydrophobicContact CG2-CE2 4.19Å; T149-Y152 PolarHBondContact O-N 3.06Å; T149-L153 PolarHBondContact O-N 2.56Å
150	P	83.9	Confident	77.6	Confident	37 Å²	37	61.1 Å²	61.1	24%	0.24	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-42.2	-45.1	-170.7	-36.3	37	0	0	0	117.3	Y152 L194 Y195 I198	P150-Y152 VanDerWaalsContact C-N 3.28Å; P150-Y152 PolarHBondContact O-N 3.36Å; P150-L194 HydrophobicContact CB-CD2 3.88Å; P150-Y195 HydrophobicContact CB-CE1 3.9Å; P150-I198 WeakPolarHBondContact O-CD1 3.48Å
151	G	83.2	Confident	78.2	Confident	15 Å²	15	59.4 Å²	59.4	16%	0.155	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-75.4	-9.3	-178.1	0	0	0	0	0	115.7	T149	T149-G151 VanDerWaalsContact C-N 3.33Å; T149-G151 PolarHBondContact O-N 2.86Å
152	Y	83.6	Confident	78.9	Confident	36 Å²	36	59.2 Å²	59.2	14%	0.141	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-118	-2	-178.8	-56.8	-88.1	0	0	0	112.2	K107 T149 P150 S154 V174 I175 I178	K107-Y152 HydrophobicContact CB-CD1 3.8Å; K107-Y152 HydrophobicContact CB-CD2 3.82Å; K107-Y152 HydrophobicContact CB-CE1 3.98Å; K107-Y152 HydrophobicContact CB-CE2 4Å; K107-Y152 HydrophobicContact CB-CG 3.78Å; K107-Y152 HydrophobicContact CD-CD1 4.07Å; K107-Y152 HydrophobicContact CD-CD2 4.47Å; K107-Y152 HydrophobicContact CD-CE1 3.35Å; K107-Y152 HydrophobicContact CD-CE2 3.84Å; K107-Y152 WeakPolarHBondContact CD-OH 3.34Å; K107-Y152 WeakPolarHBondContact CE-OH 3.48Å; K107-Y152 HydrophobicContact CG-CD1 4.21Å; K107-Y152 HydrophobicContact CG-CD2 3.94Å; K107-Y152 HydrophobicContact CG-CE1 3.87Å; K107-Y152 HydrophobicContact CG-CE2 3.59Å; K107-Y152 HydrophobicContact CG-CG 4.28Å; K107-Y152 PolarHBondContact NZ-OH 3.16Å; K107-Y152 WeakPolarHBondContact O-CD2 3.08Å; T149-Y152 HydrophobicContact CG2-CD2 3.8Å; T149-Y152 HydrophobicContact CG2-CE2 4.19Å; T149-Y152 PolarHBondContact O-N 3.06Å; P150-Y152 VanDerWaalsContact C-N 3.28Å; P150-Y152 PolarHBondContact O-N 3.36Å; Y152-S154 PolarHBondContact O-N 3.18Å; Y152-V174 HydrophobicContact CD1-CB 3.81Å; Y152-V174 HydrophobicContact CD1-CG1 3.49Å; Y152-V174 VanDerWaalsContact CD1-CG1 3.49Å; Y152-V174 HydrophobicContact CE1-CB 3.99Å; Y152-V174 HydrophobicContact CE1-CG1 3.28Å; Y152-V174 HydrophobicContact CG-CG1 4.42Å; Y152-I175 HydrophobicContact CE1-CG1 4.34Å; Y152-I178 HydrophobicContact CE1-CD1 3.99Å; Y152-I178 WeakPolarHBondContact OH-CD1 3.28Å
153	L	86	Confident	79.9	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.031	26%	0.263	C	S	.	.			trans	-64.4	134.9	175.2	-67.9	177.3	0	0	0	109.4	F146 A147 T149 V157 L158 W170 Y195 I198	F146-L153 HydrophobicContact CE1-CD1 4.19Å; F146-L153 HydrophobicContact CE2-CD1 3.99Å; F146-L153 HydrophobicContact CZ-CD1 3.5Å; A147-L153 VanDerWaalsContact O-CD2 3.32Å; A147-L153 WeakPolarHBondContact O-CD2 3.24Å; T149-L153 PolarHBondContact O-N 2.56Å; L153-V157 HydrophobicContact CD2-CG1 4Å; L153-L158 HydrophobicContact CB-CD2 3.96Å; L153-L158 HydrophobicContact CB-CG 4.19Å; L153-L158 HydrophobicContact CD1-CD2 3.63Å; L153-L158 HydrophobicContact CG-CD2 4.44Å; L153-W170 PolarHBondContact O-NE1 2.66Å; L153-Y195 HydrophobicContact CD1-CE1 4.19Å; L153-I198 VanDerWaalsContact O-CG2 3.24Å; L153-I198 WeakPolarHBondContact O-CG2 3.5Å
154	S	83.2	Confident	81.1	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.007	22%	0.222	C	C	.	.			trans	-80.3	157	175.1	70.1	0	0	0	0	111.9	Y152 E156 V157 L158 V167	Y152-S154 PolarHBondContact O-N 3.18Å; S154-E156 VanDerWaalsContact C-N 3.29Å; S154-E156 WeakPolarHBondContact CB-OE1 3.48Å; S154-E156 WeakPolarHBondContact CB-OE2 2.9Å; S154-E156 PolarHBondContact O-N 3.04Å; S154-E156 PolarHBondContact OG-OE1 3.25Å; S154-E156 PolarHBondContact OG-OE2 2.93Å; S154-V157 PolarHBondContact O-N 3.31Å; S154-V157 VanDerWaalsContact O-N 3.16Å; S154-V157 WeakPolarHBondContact OG-CG2 3.13Å; S154-L158 PolarHBondContact O-N 3.26Å; S154-V167 WeakPolarHBondContact OG-CG1 3.28Å
155	P	84.7	Confident	82.2	Confident	11 Å²	11	42 Å²	42	7%	0.071	22%	0.224	C	C	.	.	H	α-helix	trans	-55.7	-40.4	-178.1	-28.1	36.7	0	0	0	113.8	L158 R159 W170 I198	P155-L158 PolarHBondContact O-N 3.48Å; P155-R159 WeakPolarHBondContact O-CB 3.12Å; P155-R159 VanDerWaalsContact O-CG 3.31Å; P155-R159 WeakPolarHBondContact O-CG 3.35Å; P155-R159 PolarHBondContact O-N 3.4Å; P155-W170 HydrophobicContact CG-CD2 4.48Å; P155-W170 HydrophobicContact CG-CE3 4.08Å; P155-W170 HydrophobicContact CG-CH2 3.54Å; P155-W170 HydrophobicContact CG-CZ2 3.99Å; P155-W170 HydrophobicContact CG-CZ3 3.59Å; P155-I198 HydrophobicContact CG-CG2 4.24Å
156	E	83	Confident	83.1	Confident	41 Å²	41	43.5 Å²	43.5	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-37.5	178.9	61.8	-80.3	-176.1	0	0	112.5	S154 L158 R159 K160 D161 V167	S154-E156 VanDerWaalsContact C-N 3.29Å; S154-E156 WeakPolarHBondContact CB-OE1 3.48Å; S154-E156 WeakPolarHBondContact CB-OE2 2.9Å; S154-E156 PolarHBondContact O-N 3.04Å; S154-E156 PolarHBondContact OG-OE1 3.25Å; S154-E156 PolarHBondContact OG-OE2 2.93Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.06Å; E156-R159 PolarHBondContact O-N 3.01Å; E156-K160 PolarHBondContact O-N 3.48Å; E156-D161 HydrophobicContact CB-CB 4.09Å; E156-D161 PolarHBondContact O-N 3.37Å; E156-V167 HydrophobicContact CG-CG1 4.37Å; E156-V167 WeakPolarHBondContact OE1-CG1 3.47Å
157	V	85.6	Confident	83.4	Confident	8 Å²	8	38.2 Å²	38.2	5%	0.048	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-40.9	173.9	176.6	0	0	0	0	110.7	F146 L153 S154 K160 Y163 V167	F146-V157 HydrophobicContact CD2-CG1 4.16Å; F146-V157 HydrophobicContact CE2-CG1 4.46Å; L153-V157 HydrophobicContact CD2-CG1 4Å; S154-V157 PolarHBondContact O-N 3.31Å; S154-V157 VanDerWaalsContact O-N 3.16Å; S154-V157 WeakPolarHBondContact OG-CG2 3.13Å; V157-K160 PolarHBondContact O-N 3.08Å; V157-Y163 HydrophobicContact CG2-CD1 3.81Å; V157-Y163 HydrophobicContact CG2-CD2 4.2Å; V157-Y163 HydrophobicContact CG2-CE1 4.01Å; V157-Y163 HydrophobicContact CG2-CE2 4.4Å; V157-Y163 HydrophobicContact CG2-CG 3.89Å; V157-V167 HydrophobicContact CG2-CG1 3.86Å
158	L	86	Confident	83.8	Confident	21 Å²	21	37.3 Å²	37.3	11%	0.11	20%	0.195	C	C	.	.	H	α-helix	trans	-69.9	-33.2	177.2	-64	-176.9	0	0	0	113.1	F146 L153 S154 P155 E156 Y195 I198 K199	F146-L158 HydrophobicContact CE2-CD2 3.83Å; F146-L158 HydrophobicContact CZ-CD2 4.17Å; L153-L158 HydrophobicContact CB-CD2 3.96Å; L153-L158 HydrophobicContact CB-CG 4.19Å; L153-L158 HydrophobicContact CD1-CD2 3.63Å; L153-L158 HydrophobicContact CG-CD2 4.44Å; S154-L158 PolarHBondContact O-N 3.26Å; P155-L158 PolarHBondContact O-N 3.48Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.06Å; L158-Y195 HydrophobicContact CD1-CD1 3.88Å; L158-Y195 HydrophobicContact CD1-CG 4.11Å; L158-Y195 HydrophobicContact CD2-CD1 3.61Å; L158-Y195 HydrophobicContact CD2-CD2 4.36Å; L158-Y195 HydrophobicContact CD2-CE1 3.85Å; L158-Y195 HydrophobicContact CD2-CG 3.9Å; L158-Y195 HydrophobicContact CG-CD1 4.43Å; L158-I198 HydrophobicContact CD1-CB 3.69Å; L158-I198 HydrophobicContact CD1-CD1 4.2Å; L158-I198 HydrophobicContact CD1-CG2 3.44Å; L158-I198 VanDerWaalsContact CD1-CG2 3.44Å; L158-I198 HydrophobicContact CG-CG2 4.49Å; L158-K199 HydrophobicContact CB-CD 4.12Å; L158-K199 HydrophobicContact CB-CG 3.9Å; L158-K199 HydrophobicContact CD1-CG 4.06Å
159	R	84.8	Confident	84.2	Confident	122 Å²	122	38.9 Å²	38.9	46%	0.46	20%	0.197	S	C	.	.	H	α-helix	trans	-76.9	-11.4	174.5	-70.1	-177.6	-158	115.5	0.4	113	P155 E156 D161 K199	P155-R159 WeakPolarHBondContact O-CB 3.12Å; P155-R159 VanDerWaalsContact O-CG 3.31Å; P155-R159 WeakPolarHBondContact O-CG 3.35Å; P155-R159 PolarHBondContact O-N 3.4Å; E156-R159 PolarHBondContact O-N 3.01Å; R159-D161 WeakPolarHBondContact CB-OD2 3.45Å; R159-K199 HydrophobicContact CG-CD 4.18Å; R159-K199 HydrophobicContact CG-CG 4.34Å; R159-K199 PolarHBondContact NH2-O 3.47Å
160	K	85	Confident	84.5	Confident	180 Å²	180	40.1 Å²	40.1	78%	0.783	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	30	-173.3	-50.2	176.8	179.5	177.9	0	112.3	E156 V157	E156-K160 PolarHBondContact O-N 3.48Å; V157-K160 PolarHBondContact O-N 3.08Å
161	D	84.6	Confident	84.6	Confident	73 Å²	73	38.6 Å²	38.6	39%	0.39	19%	0.188	S	C	.	.			trans	-77.5	160	172.9	-64	-31.7	0	0	0	109.7	E156 R159 Y163	E156-D161 HydrophobicContact CB-CB 4.09Å; E156-D161 PolarHBondContact O-N 3.37Å; R159-D161 WeakPolarHBondContact CB-OD2 3.45Å; D161-Y163 PolarHBondContact O-N 3.09Å
162	P	81.4	Confident	84.7	Confident	23 Å²	23	38.1 Å²	38.1	15%	0.149	18%	0.182	C	C	.	.			trans	-59.9	135.4	170.4	-18	31.9	0	0	0	109.8	Q140 W142	Q140-P162 HydrophobicContact CB-CB 3.77Å; Q140-P162 PolarHBondContact OE1-O 2.96Å; W142-P162 HydrophobicContact CD2-CB 4.12Å; W142-P162 HydrophobicContact CD2-CG 3.52Å; W142-P162 HydrophobicContact CE3-CG 3.78Å; W142-P162 HydrophobicContact CG-CB 4.25Å; W142-P162 HydrophobicContact CG-CG 4.17Å; W142-P162 HydrophobicContact CH2-CG 3.62Å; W142-P162 HydrophobicContact CZ2-CB 4.4Å; W142-P162 HydrophobicContact CZ2-CG 3.34Å; W142-P162 HydrophobicContact CZ3-CG 3.82Å
163	Y	81.2	Confident	84.8	Confident	13 Å²	13	37.4 Å²	37.4	5%	0.051	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-137.4	163.6	-176.6	68.2	-101.6	0	0	0	111.5	R104 Q140 A141 A144 G145 V157 D161 V167	R104-Y163 HydrophobicContact CG-CE2 4.34Å; R104-Y163 PolarHBondContact NH1-OH 3.46Å; Q140-Y163 CarbonylContact C-O 3.57Å; Q140-Y163 WeakPolarHBondContact CA-O 3.28Å; A141-Y163 PolarHBondContact N-O 2.83Å; A144-Y163 VanDerWaalsContact C-OH 3.31Å; A144-Y163 HydrophobicContact CB-CE1 3.93Å; A144-Y163 HydrophobicContact CB-CE2 3.62Å; A144-Y163 WeakPolarHBondContact CB-OH 3.4Å; A144-Y163 PolarHBondContact O-OH 3.37Å; G145-Y163 PolarHBondContact O-OH 3.24Å; V157-Y163 HydrophobicContact CG2-CD1 3.81Å; V157-Y163 HydrophobicContact CG2-CD2 4.2Å; V157-Y163 HydrophobicContact CG2-CE1 4.01Å; V157-Y163 HydrophobicContact CG2-CE2 4.4Å; V157-Y163 HydrophobicContact CG2-CG 3.89Å; D161-Y163 PolarHBondContact O-N 3.09Å; Y163-V167 HydrophobicContact CD2-CG1 3.53Å; Y163-V167 HydrophobicContact CD2-CG2 4.47Å; Y163-V167 HydrophobicContact CE2-CG1 4.43Å; Y163-V167 HydrophobicContact CG-CG1 3.87Å
164	G	84.4	Confident	84.7	Confident	4 Å²	4	37.3 Å²	37.3	4%	0.041	19%	0.185	C	C	.	.			trans	-156.5	-144.2	-175.7	0	0	0	0	0	111.4	P166 V167	G164-P166 VanDerWaalsContact C-N 3.27Å; G164-P166 WeakPolarHBondContact O-CD 3.48Å; G164-P166 VanDerWaalsContact O-N 3.11Å; G164-V167 WeakPolarHBondContact O-CG1 3.42Å; G164-V167 VanDerWaalsContact O-CG2 3.28Å; G164-V167 WeakPolarHBondContact O-CG2 3.41Å; G164-V167 PolarHBondContact O-N 3.13Å
165	K	85.9	Confident	84.7	Confident	42 Å²	42	37.2 Å²	37.2	18%	0.183	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-37.4	178.6	-64	169.9	-173.8	168.2	0	115.4	H97 V102 V135 G137 D138 V167 D168	H97-K165 HydrophobicContact CB-CD 3.97Å; H97-K165 HydrophobicContact CB-CG 4.22Å; H97-K165 PolarHBondContact CE1-O 3.33Å; H97-K165 PolarHBondContact NE2-O 2.95Å; H97-K165 WeakPolarHBondContact O-CE 3.25Å; V102-K165 HydrophobicContact CG2-CG 4Å; V135-K165 HydrophobicContact CG2-CG 4.45Å; G137-K165 VanDerWaalsContact O-CE 3.25Å; G137-K165 WeakPolarHBondContact O-CE 3.06Å; G137-K165 PolarHBondContact O-NZ 3.28Å; D138-K165 IonicContact OD1-NZ 3.21Å; D138-K165 PolarHBondContact OD1-NZ 3.19Å; K165-V167 PolarHBondContact O-N 3.04Å; K165-V167 VanDerWaalsContact O-N 3.11Å; K165-D168 PolarHBondContact O-N 2.77Å
166	P	86.3	Confident	84.7	Confident	76 Å²	76	37.9 Å²	37.9	49%	0.494	19%	0.187	S	C	.	.	H	α-helix	trans	-60	-22.8	-178.2	-27.7	37.4	0	0	0	115.7	G164 D168 M169 W170	G164-P166 VanDerWaalsContact C-N 3.27Å; G164-P166 WeakPolarHBondContact O-CD 3.48Å; G164-P166 VanDerWaalsContact O-N 3.11Å; P166-D168 PolarHBondContact O-N 3.22Å; P166-M169 WeakPolarHBondContact O-CB 3.49Å; P166-M169 PolarHBondContact O-N 3.46Å; P166-W170 PolarHBondContact O-N 2.93Å; P166-W170 VanDerWaalsContact O-N 3.09Å
167	V	85.1	Confident	84.6	Confident	10 Å²	10	37.5 Å²	37.5	6%	0.061	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-34.7	178.6	-53.4	0	0	0	0	112.1	V102 R104 S154 E156 V157 Y163 G164 K165 M169 W170 A171	V102-V167 HydrophobicContact CG1-CG2 3.61Å; R104-V167 HydrophobicContact CG-CG2 4.31Å; S154-V167 WeakPolarHBondContact OG-CG1 3.28Å; E156-V167 HydrophobicContact CG-CG1 4.37Å; E156-V167 WeakPolarHBondContact OE1-CG1 3.47Å; V157-V167 HydrophobicContact CG2-CG1 3.86Å; Y163-V167 HydrophobicContact CD2-CG1 3.53Å; Y163-V167 HydrophobicContact CD2-CG2 4.47Å; Y163-V167 HydrophobicContact CE2-CG1 4.43Å; Y163-V167 HydrophobicContact CG-CG1 3.87Å; G164-V167 WeakPolarHBondContact O-CG1 3.42Å; G164-V167 VanDerWaalsContact O-CG2 3.28Å; G164-V167 WeakPolarHBondContact O-CG2 3.41Å; G164-V167 PolarHBondContact O-N 3.13Å; K165-V167 PolarHBondContact O-N 3.04Å; K165-V167 VanDerWaalsContact O-N 3.11Å; V167-M169 VanDerWaalsContact C-N 3.31Å; V167-W170 PolarHBondContact O-N 3.25Å; V167-A171 PolarHBondContact O-N 3.43Å
168	D	84.6	Confident	84.4	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.011	19%	0.186	C	C	.	.	H	α-helix	trans	-70.7	-32.6	178.2	-69.8	-22.4	0	0	0	110.4	V93 H97 V102 H103 R104 L106 K165 P166 A171 C172	V93-D168 HydrophobicContact CG1-CB 3.95Å; H97-D168 IonicContact CD2-OD2 3.72Å; H97-D168 IonicContact CE1-OD2 2.83Å; H97-D168 IonicContact NE2-OD2 2.83Å; H97-D168 PolarHBondContact NE2-OD2 3.2Å; V102-D168 WeakPolarHBondContact CG1-OD2 3.43Å; H103-D168 PolarHBondContact N-OD1 3.42Å; H103-D168 PolarHBondContact N-OD2 2.62Å; R104-D168 PolarHBondContact N-OD1 2.87Å; L106-D168 HydrophobicContact CD1-CB 3.83Å; L106-D168 VanDerWaalsContact CD1-O 3.23Å; L106-D168 WeakPolarHBondContact CD1-O 3.49Å; L106-D168 HydrophobicContact CG-CB 4.47Å; K165-D168 PolarHBondContact O-N 2.77Å; P166-D168 PolarHBondContact O-N 3.22Å; D168-A171 PolarHBondContact O-N 3.44Å; D168-C172 PolarHBondContact O-N 3.45Å; D168-C172 PolarHBondContact O-SG 2.92Å
169	M	85.3	Confident	84.1	Confident	56 Å²	56	37.2 Å²	37.2	28%	0.276	18%	0.182	S	C	.	.	H	α-helix	trans	-70.3	-37.8	177	-60.8	-53.8	-57.8	0	0	112	L90 V93 P166 V167 A171 C172 G173 L234	L90-M169 HydrophobicContact CD2-CE 3.66Å; L90-M169 HydrophobicContact CD2-SD 4.36Å; V93-M169 HydrophobicContact CG1-SD 4.17Å; P166-M169 WeakPolarHBondContact O-CB 3.49Å; P166-M169 PolarHBondContact O-N 3.46Å; V167-M169 VanDerWaalsContact C-N 3.31Å; M169-A171 VanDerWaalsContact C-N 3.35Å; M169-C172 WeakPolarHBondContact O-CB 3.08Å; M169-C172 PolarHBondContact O-N 3.17Å; M169-G173 PolarHBondContact O-N 3.21Å; M169-L234 HydrophobicContact CB-CD2 3.92Å; M169-L234 HydrophobicContact CE-CD2 3.83Å
170	W	86.5	Confident	83.8	Confident	66 Å²	66	34.3 Å²	34.3	25%	0.25	18%	0.176	C	C	.	.	H	α-helix	trans	-57	-50.2	170.7	176.9	-88.2	0	0	0	111	L153 P155 P166 V167 C172 G173 V174 F186 I198	L153-W170 PolarHBondContact O-NE1 2.66Å; P155-W170 HydrophobicContact CG-CD2 4.48Å; P155-W170 HydrophobicContact CG-CE3 4.08Å; P155-W170 HydrophobicContact CG-CH2 3.54Å; P155-W170 HydrophobicContact CG-CZ2 3.99Å; P155-W170 HydrophobicContact CG-CZ3 3.59Å; P166-W170 PolarHBondContact O-N 2.93Å; P166-W170 VanDerWaalsContact O-N 3.09Å; V167-W170 PolarHBondContact O-N 3.25Å; W170-C172 VanDerWaalsContact C-N 3.3Å; W170-C172 PolarHBondContact O-N 2.82Å; W170-G173 PolarHBondContact O-N 3.07Å; W170-V174 PolarHBondContact O-N 2.88Å; W170-F186 HydrophobicContact CH2-CE2 4.1Å; W170-F186 AromaticContact CH2-CZ 3.87Å; W170-F186 HydrophobicContact CH2-CZ 3.87Å; W170-F186 HydrophobicContact CZ2-CD2 4.31Å; W170-F186 AromaticContact CZ2-CE2 3.41Å; W170-F186 HydrophobicContact CZ2-CE2 3.41Å; W170-F186 VanDerWaalsContact CZ2-CE2 3.41Å; W170-F186 AromaticContact CZ2-CZ 3.64Å; W170-F186 HydrophobicContact CZ2-CZ 3.64Å; W170-I198 HydrophobicContact CZ2-CG2 3.78Å
171	A	85.4	Confident	83.4	Confident	5 Å²	5	27.4 Å²	27.4	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-36	178.1	0	0	0	0	0	112.5	L106 V167 D168 M169 G173 V174 I175	L106-A171 HydrophobicContact CB-CB 4.12Å; L106-A171 HydrophobicContact CD1-CB 4.03Å; L106-A171 HydrophobicContact CG-CB 4.48Å; V167-A171 PolarHBondContact O-N 3.43Å; D168-A171 PolarHBondContact O-N 3.44Å; M169-A171 VanDerWaalsContact C-N 3.35Å; A171-G173 VanDerWaalsContact C-N 3.33Å; A171-G173 PolarHBondContact O-N 3.35Å; A171-V174 PolarHBondContact O-N 3.21Å; A171-I175 WeakPolarHBondContact O-CD1 3.31Å; A171-I175 VanDerWaalsContact O-CG1 3.28Å; A171-I175 WeakPolarHBondContact O-CG1 3.38Å; A171-I175 PolarHBondContact O-N 3.44Å
172	C	86.5	Confident	82.9	Confident	5 Å²	5	27 Å²	27	3%	0.034	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-40.2	171.5	-68.4	0	0	0	0	112.4	I86 L90 D168 M169 W170 I175 L176	I86-C172 HydrophobicContact CD1-CB 4.48Å; L90-C172 HydrophobicContact CD2-CB 4.16Å; D168-C172 PolarHBondContact O-N 3.45Å; D168-C172 PolarHBondContact O-SG 2.92Å; M169-C172 WeakPolarHBondContact O-CB 3.08Å; M169-C172 PolarHBondContact O-N 3.17Å; W170-C172 VanDerWaalsContact C-N 3.3Å; W170-C172 PolarHBondContact O-N 2.82Å; C172-I175 PolarHBondContact O-N 3.17Å; C172-L176 WeakPolarHBondContact O-CB 3.48Å; C172-L176 PolarHBondContact O-N 3.17Å
173	G	84.4	Confident	82.7	Confident	20 Å²	20	31.1 Å²	31.1	21%	0.206	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-43.8	174.7	0	0	0	0	0	112.6	M169 W170 A171 I175 L176 Y177	M169-G173 PolarHBondContact O-N 3.21Å; W170-G173 PolarHBondContact O-N 3.07Å; A171-G173 VanDerWaalsContact C-N 3.33Å; A171-G173 PolarHBondContact O-N 3.35Å; G173-I175 VanDerWaalsContact C-N 3.33Å; G173-I175 PolarHBondContact O-N 2.98Å; G173-L176 PolarHBondContact O-N 3.47Å; G173-Y177 PolarHBondContact O-N 2.92Å
174	V	84.1	Confident	82.7	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-42	174.4	-178.1	0	0	0	0	111	Y152 W170 A171 Y177 I178 P185 F186	Y152-V174 HydrophobicContact CD1-CB 3.81Å; Y152-V174 HydrophobicContact CD1-CG1 3.49Å; Y152-V174 VanDerWaalsContact CD1-CG1 3.49Å; Y152-V174 HydrophobicContact CE1-CB 3.99Å; Y152-V174 HydrophobicContact CE1-CG1 3.28Å; Y152-V174 HydrophobicContact CG-CG1 4.42Å; W170-V174 PolarHBondContact O-N 2.88Å; A171-V174 PolarHBondContact O-N 3.21Å; V174-Y177 PolarHBondContact O-N 2.7Å; V174-I178 HydrophobicContact CG1-CD1 4.17Å; V174-I178 WeakPolarHBondContact O-CD1 3.23Å; V174-I178 VanDerWaalsContact O-CG1 3.31Å; V174-I178 WeakPolarHBondContact O-CG1 3.16Å; V174-I178 PolarHBondContact O-N 2.85Å; V174-I178 VanDerWaalsContact O-N 3.17Å; V174-P185 HydrophobicContact CB-CG 4.29Å; V174-P185 HydrophobicContact CG1-CG 3.84Å; V174-P185 HydrophobicContact CG2-CG 4.24Å; V174-F186 HydrophobicContact CG2-CD2 4.4Å; V174-F186 HydrophobicContact CG2-CE2 4.24Å
175	I	84.4	Confident	82.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-49.9	176.1	-69.5	158.5	0	0	0	110.6	F68 I86 I89 L106 K107 L113 Y152 A171 C172 G173 Y177 I178 L179	F68-I175 HydrophobicContact CZ-CG2 4.37Å; I86-I175 HydrophobicContact CD1-CG2 4.31Å; I89-I175 HydrophobicContact CD1-CG2 3.94Å; L106-I175 HydrophobicContact CB-CD1 4.38Å; K107-I175 HydrophobicContact CD-CG1 4.25Å; L113-I175 HydrophobicContact CD1-CD1 4.09Å; L113-I175 HydrophobicContact CD1-CG1 4.48Å; L113-I175 HydrophobicContact CD1-CG2 4.14Å; Y152-I175 HydrophobicContact CE1-CG1 4.34Å; A171-I175 WeakPolarHBondContact O-CD1 3.31Å; A171-I175 VanDerWaalsContact O-CG1 3.28Å; A171-I175 WeakPolarHBondContact O-CG1 3.38Å; A171-I175 PolarHBondContact O-N 3.44Å; C172-I175 PolarHBondContact O-N 3.17Å; G173-I175 VanDerWaalsContact C-N 3.33Å; G173-I175 PolarHBondContact O-N 2.98Å; I175-Y177 VanDerWaalsContact C-N 3.3Å; I175-Y177 PolarHBondContact O-N 3.5Å; I175-I178 WeakPolarHBondContact O-CB 3.38Å; I175-I178 PolarHBondContact O-N 3.4Å; I175-L179 HydrophobicContact CG2-CD1 4.11Å; I175-L179 HydrophobicContact CG2-CG 4.17Å; I175-L179 WeakPolarHBondContact O-CG 3.34Å; I175-L179 PolarHBondContact O-N 2.9Å
176	L	84.8	Confident	82.5	Confident	25 Å²	25	31.8 Å²	31.8	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-57.5	-43.3	179.4	177.7	58.3	0	0	0	111.9	I86 C172 G173 I178 L179 L180 I230	I86-L176 HydrophobicContact CB-CD1 4.17Å; I86-L176 HydrophobicContact CD1-CB 4.07Å; I86-L176 HydrophobicContact CG1-CB 4.19Å; I86-L176 HydrophobicContact CG1-CD1 4.24Å; I86-L176 HydrophobicContact CG2-CD1 4.07Å; C172-L176 WeakPolarHBondContact O-CB 3.48Å; C172-L176 PolarHBondContact O-N 3.17Å; G173-L176 PolarHBondContact O-N 3.47Å; L176-I178 VanDerWaalsContact C-N 3.3Å; L176-I178 PolarHBondContact O-N 3.29Å; L176-L179 WeakPolarHBondContact O-CB 2.9Å; L176-L179 PolarHBondContact O-N 3.12Å; L176-L179 VanDerWaalsContact O-N 3.17Å; L176-L180 HydrophobicContact CD1-CD1 4Å; L176-L180 HydrophobicContact CD1-CG 4.15Å; L176-L180 HydrophobicContact CG-CD1 4.11Å; L176-L180 WeakPolarHBondContact O-CG 3.49Å; L176-L180 PolarHBondContact O-N 3.32Å; L176-L180 VanDerWaalsContact O-N 3.07Å; L176-I230 HydrophobicContact CD2-CG2 4.39Å
177	Y	80.6	Confident	82.4	Confident	32 Å²	32	36.3 Å²	36.3	13%	0.125	19%	0.19	C	C	.	.	H	α-helix	trans	-57.1	-46.3	175.1	-171.4	-75.5	0	0	0	111.1	G173 V174 I175 L179 L180 V181 Y183 P185 Y203 D204	G173-Y177 PolarHBondContact O-N 2.92Å; V174-Y177 PolarHBondContact O-N 2.7Å; I175-Y177 VanDerWaalsContact C-N 3.3Å; I175-Y177 PolarHBondContact O-N 3.5Å; Y177-L179 VanDerWaalsContact C-N 3.34Å; Y177-L179 PolarHBondContact O-N 3.32Å; Y177-L180 PolarHBondContact O-N 3.06Å; Y177-V181 HydrophobicContact CD1-CB 4.31Å; Y177-V181 HydrophobicContact CD1-CG2 4.1Å; Y177-V181 HydrophobicContact CE1-CB 4Å; Y177-V181 HydrophobicContact CE1-CG1 4.48Å; Y177-V181 HydrophobicContact CE1-CG2 3.91Å; Y177-V181 HydrophobicContact CG-CG2 4.48Å; Y177-V181 WeakPolarHBondContact O-CG2 3.11Å; Y177-V181 PolarHBondContact O-N 2.88Å; Y177-Y183 VanDerWaalsContact CD1-O 3.27Å; Y177-Y183 WeakPolarHBondContact CD1-O 3.32Å; Y177-Y183 AromaticContact CE1-CD2 3.98Å; Y177-Y183 HydrophobicContact CE1-CD2 3.98Å; Y177-Y183 AromaticContact CE1-CE2 3.72Å; Y177-Y183 HydrophobicContact CE1-CE2 3.72Å; Y177-Y183 WeakPolarHBondContact CE1-O 3.37Å; Y177-Y183 WeakPolarHBondContact OH-CE2 2.93Å; Y177-P185 HydrophobicContact CD1-CB 3.77Å; Y177-P185 HydrophobicContact CD1-CG 4.1Å; Y177-P185 HydrophobicContact CD2-CB 3.83Å; Y177-P185 HydrophobicContact CE1-CB 3.99Å; Y177-P185 HydrophobicContact CE2-CB 4.02Å; Y177-P185 HydrophobicContact CG-CB 3.7Å; Y177-P185 HydrophobicContact CG-CG 3.98Å; Y177-Y203 HydrophobicContact CE2-CD2 4.4Å; Y177-D204 PolarHBondContact OH-O 3.3Å
178	I	81.3	Confident	82.6	Confident	16 Å²	16	37.5 Å²	37.5	8%	0.082	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-38.1	178	-63.2	163.7	0	0	0	111.5	F68 K107 Y152 V174 I175 L176 L180 G182 P184	F68-I178 HydrophobicContact CD1-CG2 3.94Å; F68-I178 HydrophobicContact CE1-CB 4.19Å; F68-I178 HydrophobicContact CE1-CG2 3.51Å; K107-I178 VanDerWaalsContact NZ-CD1 3.34Å; Y152-I178 HydrophobicContact CE1-CD1 3.99Å; Y152-I178 WeakPolarHBondContact OH-CD1 3.28Å; V174-I178 HydrophobicContact CG1-CD1 4.17Å; V174-I178 WeakPolarHBondContact O-CD1 3.23Å; V174-I178 VanDerWaalsContact O-CG1 3.31Å; V174-I178 WeakPolarHBondContact O-CG1 3.16Å; V174-I178 PolarHBondContact O-N 2.85Å; V174-I178 VanDerWaalsContact O-N 3.17Å; I175-I178 WeakPolarHBondContact O-CB 3.38Å; I175-I178 PolarHBondContact O-N 3.4Å; L176-I178 VanDerWaalsContact C-N 3.3Å; L176-I178 PolarHBondContact O-N 3.29Å; I178-L180 PolarHBondContact O-N 3.22Å; I178-G182 VanDerWaalsContact O-CA 3.23Å; I178-G182 WeakPolarHBondContact O-CA 3.24Å; I178-G182 PolarHBondContact O-N 3.02Å; I178-P184 HydrophobicContact CD1-CB 4.16Å; I178-P184 HydrophobicContact CG1-CB 4.3Å
179	L	79.2	Confident	82.7	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-33.4	176.9	-65.6	179	0	0	0	112	L67 F68 I71 Y77 A82 C85 I86 I175 L176 Y177	L67-L179 HydrophobicContact CD2-CD2 4.24Å; F68-L179 HydrophobicContact CE1-CD2 4.4Å; I71-L179 HydrophobicContact CD1-CD2 3.24Å; Y77-L179 WeakPolarHBondContact CE1-O 3.46Å; A82-L179 HydrophobicContact CB-CB 4.01Å; C85-L179 HydrophobicContact CB-CD1 4.03Å; I86-L179 HydrophobicContact CB-CD1 4.29Å; I175-L179 HydrophobicContact CG2-CD1 4.11Å; I175-L179 HydrophobicContact CG2-CG 4.17Å; I175-L179 WeakPolarHBondContact O-CG 3.34Å; I175-L179 PolarHBondContact O-N 2.9Å; L176-L179 WeakPolarHBondContact O-CB 2.9Å; L176-L179 PolarHBondContact O-N 3.12Å; L176-L179 VanDerWaalsContact O-N 3.17Å; Y177-L179 VanDerWaalsContact C-N 3.34Å; Y177-L179 PolarHBondContact O-N 3.32Å
180	L	79.3	Confident	83	Confident	62 Å²	62	45.6 Å²	45.6	33%	0.325	24%	0.236	S	C	.	.	H	α-helix	trans	-86.6	-37.6	-177.7	-66	173	0	0	0	113	E79 A82 L176 Y177 I178 L227	E79-L180 HydrophobicContact CG-CD2 4.07Å; A82-L180 HydrophobicContact CB-CD2 3.82Å; L176-L180 HydrophobicContact CD1-CD1 4Å; L176-L180 HydrophobicContact CD1-CG 4.15Å; L176-L180 HydrophobicContact CG-CD1 4.11Å; L176-L180 WeakPolarHBondContact O-CG 3.49Å; L176-L180 PolarHBondContact O-N 3.32Å; L176-L180 VanDerWaalsContact O-N 3.07Å; Y177-L180 PolarHBondContact O-N 3.06Å; I178-L180 PolarHBondContact O-N 3.22Å; L180-L227 HydrophobicContact CD1-CD2 4.02Å
181	V	75.7	Confident	83.1	Confident	34 Å²	34	48.1 Å²	48.1	21%	0.206	25%	0.25	C	S	.	.	H	α-helix	trans	-113.8	-16.2	-167.9	-157.1	0	0	0	0	113	Y177 Y183 F207	Y177-V181 HydrophobicContact CD1-CB 4.31Å; Y177-V181 HydrophobicContact CD1-CG2 4.1Å; Y177-V181 HydrophobicContact CE1-CB 4Å; Y177-V181 HydrophobicContact CE1-CG1 4.48Å; Y177-V181 HydrophobicContact CE1-CG2 3.91Å; Y177-V181 HydrophobicContact CG-CG2 4.48Å; Y177-V181 WeakPolarHBondContact O-CG2 3.11Å; Y177-V181 PolarHBondContact O-N 2.88Å; V181-Y183 VanDerWaalsContact C-N 3.26Å; V181-Y183 HydrophobicContact CB-CD1 4.43Å; V181-Y183 HydrophobicContact CB-CE1 4.22Å; V181-Y183 HydrophobicContact CG1-CD1 3.78Å; V181-Y183 HydrophobicContact CG1-CE1 3.17Å; V181-Y183 HydrophobicContact CG1-CE2 4.18Å; V181-Y183 WeakPolarHBondContact O-CD1 3.18Å; V181-Y183 PolarHBondContact O-N 3.37Å; V181-F207 HydrophobicContact CB-CZ 4.41Å; V181-F207 HydrophobicContact CG1-CE2 4.01Å; V181-F207 HydrophobicContact CG1-CZ 3.81Å; V181-F207 HydrophobicContact CG2-CE2 3.8Å; V181-F207 HydrophobicContact CG2-CZ 3.93Å
182	G	74.8	Confident	83.4	Confident	64 Å²	64	53.5 Å²	53.5	66%	0.66	27%	0.274	S	S	*	.	S	Bend	trans	80.2	-4.8	178.4	0	0	0	0	0	115.3	I178	I178-G182 VanDerWaalsContact O-CA 3.23Å; I178-G182 WeakPolarHBondContact O-CA 3.24Å; I178-G182 PolarHBondContact O-N 3.02Å
183	Y	76.1	Confident	83.6	Confident	111 Å²	111	59 Å²	59	44%	0.435	29%	0.294	S	S	.	.	S	Bend	trans	-131	155.1	175	62.3	-101.9	0	0	0	111.7	Y177 V181	Y177-Y183 VanDerWaalsContact CD1-O 3.27Å; Y177-Y183 WeakPolarHBondContact CD1-O 3.32Å; Y177-Y183 AromaticContact CE1-CD2 3.98Å; Y177-Y183 HydrophobicContact CE1-CD2 3.98Å; Y177-Y183 AromaticContact CE1-CE2 3.72Å; Y177-Y183 HydrophobicContact CE1-CE2 3.72Å; Y177-Y183 WeakPolarHBondContact CE1-O 3.37Å; Y177-Y183 WeakPolarHBondContact OH-CE2 2.93Å; V181-Y183 VanDerWaalsContact C-N 3.26Å; V181-Y183 HydrophobicContact CB-CD1 4.43Å; V181-Y183 HydrophobicContact CB-CE1 4.22Å; V181-Y183 HydrophobicContact CG1-CD1 3.78Å; V181-Y183 HydrophobicContact CG1-CE1 3.17Å; V181-Y183 HydrophobicContact CG1-CE2 4.18Å; V181-Y183 WeakPolarHBondContact O-CD1 3.18Å; V181-Y183 PolarHBondContact O-N 3.37Å
184	P	81.9	Confident	83.8	Confident	46 Å²	46	58.8 Å²	58.8	30%	0.299	29%	0.288	S	S	.	.			trans	-70.1	144.1	-178.9	28.5	-35.6	0	0	0	112.5	I178 F186 W187	I178-P184 HydrophobicContact CD1-CB 4.16Å; I178-P184 HydrophobicContact CG1-CB 4.3Å; P184-F186 PolarHBondContact O-N 2.7Å; P184-W187 HydrophobicContact CG-CB 4.1Å; P184-W187 HydrophobicContact CG-CG 4.45Å
185	P	80.6	Confident	84.1	Confident	16 Å²	16	60.8 Å²	60.8	10%	0.104	30%	0.296	C	S	.	.	S	Bend	trans	-67.8	-23.9	178.6	25.8	-33.3	0	0	0	113.6	V174 Y177	V174-P185 HydrophobicContact CB-CG 4.29Å; V174-P185 HydrophobicContact CG1-CG 3.84Å; V174-P185 HydrophobicContact CG2-CG 4.24Å; Y177-P185 HydrophobicContact CD1-CB 3.77Å; Y177-P185 HydrophobicContact CD1-CG 4.1Å; Y177-P185 HydrophobicContact CD2-CB 3.83Å; Y177-P185 HydrophobicContact CE1-CB 3.99Å; Y177-P185 HydrophobicContact CE2-CB 4.02Å; Y177-P185 HydrophobicContact CG-CB 3.7Å; Y177-P185 HydrophobicContact CG-CG 3.98Å
186	F	85.6	Confident	84.3	Confident	10 Å²	10	64.8 Å²	64.8	4%	0.044	31%	0.314	C	S	.	.	S	Bend	trans	-126.9	122.8	177.8	-48.1	-72.3	0	0	0	108.9	W170 V174 P184 L194 Q197 I198 Y203	W170-F186 HydrophobicContact CH2-CE2 4.1Å; W170-F186 AromaticContact CH2-CZ 3.87Å; W170-F186 HydrophobicContact CH2-CZ 3.87Å; W170-F186 HydrophobicContact CZ2-CD2 4.31Å; W170-F186 AromaticContact CZ2-CE2 3.41Å; W170-F186 HydrophobicContact CZ2-CE2 3.41Å; W170-F186 VanDerWaalsContact CZ2-CE2 3.41Å; W170-F186 AromaticContact CZ2-CZ 3.64Å; W170-F186 HydrophobicContact CZ2-CZ 3.64Å; V174-F186 HydrophobicContact CG2-CD2 4.4Å; V174-F186 HydrophobicContact CG2-CE2 4.24Å; P184-F186 PolarHBondContact O-N 2.7Å; F186-L194 HydrophobicContact CB-CD1 3.73Å; F186-Q197 HydrophobicContact CD1-CB 4.27Å; F186-I198 HydrophobicContact CB-CD1 4.46Å; F186-I198 HydrophobicContact CB-CG1 3.82Å; F186-I198 HydrophobicContact CD1-CG1 4.22Å; F186-I198 HydrophobicContact CD2-CG1 3.94Å; F186-I198 HydrophobicContact CG-CG1 3.73Å; F186-Y203 HydrophobicContact CE1-CD1 4.12Å; F186-Y203 HydrophobicContact CE1-CG 4.4Å; F186-Y203 AromaticContact CZ-CD1 3.97Å; F186-Y203 HydrophobicContact CZ-CD1 3.97Å; F186-Y203 HydrophobicContact CZ-CG 4.41Å
187	W	85.4	Confident	84.3	Confident	171 Å²	171	66 Å²	66	65%	0.648	32%	0.32	S	S	*	.			trans	-155.2	135.8	177.5	-172	86.2	0	0	0	110.7	P184 E189 Q197	P184-W187 HydrophobicContact CG-CB 4.1Å; P184-W187 HydrophobicContact CG-CG 4.45Å; W187-E189 HydrophobicContact CH2-CG 3.67Å; W187-E189 HydrophobicContact CZ2-CG 4.15Å; W187-E189 HydrophobicContact CZ3-CG 4.33Å; W187-Q197 PolarHBondContact O-NE2 2.68Å; W187-Q197 PolarHBondContact O-OE1 2.99Å
188	D	87.7	Confident	84.5	Confident	35 Å²	35	64.5 Å²	64.5	19%	0.187	31%	0.314	C	S	.	.			trans	-157.2	147.5	169.5	-156.7	-60.3	0	0	0	107.8	D190 R193 L194 Q197	D188-D190 PolarHBondContact O-N 3.18Å; D188-D190 PolarHBondContact OD1-N 3.48Å; D188-R193 HydrophobicContact CB-CB 4.15Å; D188-R193 IonicContact OD1-CZ 2.99Å; D188-R193 IonicContact OD1-NE 3.02Å; D188-R193 PolarHBondContact OD1-NE 3.02Å; D188-R193 IonicContact OD1-NH2 3.48Å; D188-R193 PolarHBondContact OD1-NH2 3.26Å; D188-R193 WeakPolarHBondContact OD2-CB 3.27Å; D188-R193 IonicContact OD2-NE 3.71Å; D188-R193 PolarHBondContact OD2-NE 3.21Å; D188-L194 HydrophobicContact CB-CB 4.09Å; D188-Q197 PolarHBondContact OD2-NE2 2.88Å
189	E	88.3	Confident	84.7	Confident	168 Å²	168	66.4 Å²	66.4	79%	0.785	32%	0.321	S	S	*	.	S	Bend	trans	-66.4	-30.4	171.8	-62.9	-176.2	167.3	0	0	111.4	W187	W187-E189 HydrophobicContact CH2-CG 3.67Å; W187-E189 HydrophobicContact CZ2-CG 4.15Å; W187-E189 HydrophobicContact CZ3-CG 4.33Å
190	D	91.4	Very high	84.9	Confident	61 Å²	61	69.8 Å²	69.8	33%	0.326	35%	0.35	S	S	.	.	S	Bend	trans	-90	112.6	175.2	-174.9	-24.1	0	0	0	110.3	D188 H192 R193 L194	D188-D190 PolarHBondContact O-N 3.18Å; D188-D190 PolarHBondContact OD1-N 3.48Å; D190-H192 PolarHBondContact O-N 2.63Å; D190-H192 WeakPolarHBondContact OD1-CA 3.42Å; D190-H192 VanDerWaalsContact OD1-CB 3.23Å; D190-H192 WeakPolarHBondContact OD1-CB 3.48Å; D190-H192 PolarHBondContact OD1-N 3.28Å; D190-R193 HydrophobicContact CB-CB 4.17Å; D190-R193 HydrophobicContact CB-CG 4.08Å; D190-R193 VanDerWaalsContact CB-NH2 3.3Å; D190-R193 PolarHBondContact O-N 3.32Å; D190-R193 IonicContact OD2-CZ 3.74Å; D190-R193 IonicContact OD2-NH1 3.32Å; D190-R193 PolarHBondContact OD2-NH1 3.48Å; D190-L194 PolarHBondContact O-N 3.3Å
191	Q	88.5	Confident	85.1	Confident	119 Å²	119	68.3 Å²	68.3	56%	0.556	35%	0.35	S	S	*	.	H	α-helix	trans	-55	-34.8	177.6	-69.8	-172.1	-31.1	0	0	113	Y195	Q191-Y195 HydrophobicContact CB-CE2 4.47Å; Q191-Y195 WeakPolarHBondContact O-CB 3.42Å; Q191-Y195 WeakPolarHBondContact O-CD2 3.42Å; Q191-Y195 PolarHBondContact O-N 3.32Å
192	H	90.3	Very high	85.4	Confident	117 Å²	117	69.4 Å²	69.4	54%	0.542	36%	0.363	S	S	.	.	H	α-helix	trans	-65.2	-44.3	178	-170.4	79.2	0	0	0	110.7	D190 Y195 Q196	D190-H192 PolarHBondContact O-N 2.63Å; D190-H192 WeakPolarHBondContact OD1-CA 3.42Å; D190-H192 VanDerWaalsContact OD1-CB 3.23Å; D190-H192 WeakPolarHBondContact OD1-CB 3.48Å; D190-H192 PolarHBondContact OD1-N 3.28Å; H192-Y195 PolarHBondContact O-N 2.68Å; H192-Q196 PolarHBondContact NE2-NE2 3.16Å; H192-Q196 VanDerWaalsContact NE2-NE2 3.19Å; H192-Q196 WeakPolarHBondContact O-CG 3.22Å; H192-Q196 PolarHBondContact O-N 3.33Å
193	R	90.9	Very high	85.5	Confident	122 Å²	122	71.2 Å²	71.2	46%	0.46	35%	0.35	S	S	.	.	H	α-helix	trans	-66.8	-42.9	177.3	-67.8	-165	-63.7	-101.8	2.4	111.8	D188 D190 Y195 Q196 Q197	D188-R193 HydrophobicContact CB-CB 4.15Å; D188-R193 IonicContact OD1-CZ 2.99Å; D188-R193 IonicContact OD1-NE 3.02Å; D188-R193 PolarHBondContact OD1-NE 3.02Å; D188-R193 IonicContact OD1-NH2 3.48Å; D188-R193 PolarHBondContact OD1-NH2 3.26Å; D188-R193 WeakPolarHBondContact OD2-CB 3.27Å; D188-R193 IonicContact OD2-NE 3.71Å; D188-R193 PolarHBondContact OD2-NE 3.21Å; D190-R193 HydrophobicContact CB-CB 4.17Å; D190-R193 HydrophobicContact CB-CG 4.08Å; D190-R193 VanDerWaalsContact CB-NH2 3.3Å; D190-R193 PolarHBondContact O-N 3.32Å; D190-R193 IonicContact OD2-CZ 3.74Å; D190-R193 IonicContact OD2-NH1 3.32Å; D190-R193 PolarHBondContact OD2-NH1 3.48Å; R193-Y195 VanDerWaalsContact C-N 3.29Å; R193-Y195 PolarHBondContact O-N 3.47Å; R193-Q196 WeakPolarHBondContact O-CB 3.18Å; R193-Q196 PolarHBondContact O-N 3.01Å; R193-Q197 WeakPolarHBondContact O-CG 3.48Å; R193-Q197 PolarHBondContact O-N 2.93Å
194	L	88.4	Confident	85.1	Confident	15 Å²	15	70.8 Å²	70.8	8%	0.079	36%	0.356	C	S	.	.	H	α-helix	trans	-52.8	-48.5	172.4	174.5	61.8	0	0	0	111.2	P150 F186 D188 D190 Q196 Q197 I198	P150-L194 HydrophobicContact CB-CD2 3.88Å; F186-L194 HydrophobicContact CB-CD1 3.73Å; D188-L194 HydrophobicContact CB-CB 4.09Å; D190-L194 PolarHBondContact O-N 3.3Å; L194-Q196 VanDerWaalsContact C-N 3.3Å; L194-Q196 PolarHBondContact O-N 3.34Å; L194-Q197 WeakPolarHBondContact O-CB 3.46Å; L194-Q197 PolarHBondContact O-N 3Å; L194-I198 HydrophobicContact CD1-CD1 4Å; L194-I198 HydrophobicContact CD1-CG1 4.34Å; L194-I198 HydrophobicContact CG-CD1 4Å; L194-I198 WeakPolarHBondContact O-CG1 3.49Å; L194-I198 PolarHBondContact O-N 3.23Å
195	Y	90.4	Very high	84	Confident	45 Å²	45	73 Å²	73	18%	0.176	37%	0.368	C	S	.	.	H	α-helix	trans	-64.7	-32.4	178.2	-64.9	-18.9	0	0	0	113.1	P150 L153 L158 Q191 H192 R193 K199	P150-Y195 HydrophobicContact CB-CE1 3.9Å; L153-Y195 HydrophobicContact CD1-CE1 4.19Å; L158-Y195 HydrophobicContact CD1-CD1 3.88Å; L158-Y195 HydrophobicContact CD1-CG 4.11Å; L158-Y195 HydrophobicContact CD2-CD1 3.61Å; L158-Y195 HydrophobicContact CD2-CD2 4.36Å; L158-Y195 HydrophobicContact CD2-CE1 3.85Å; L158-Y195 HydrophobicContact CD2-CG 3.9Å; L158-Y195 HydrophobicContact CG-CD1 4.43Å; Q191-Y195 HydrophobicContact CB-CE2 4.47Å; Q191-Y195 WeakPolarHBondContact O-CB 3.42Å; Q191-Y195 WeakPolarHBondContact O-CD2 3.42Å; Q191-Y195 PolarHBondContact O-N 3.32Å; H192-Y195 PolarHBondContact O-N 2.68Å; R193-Y195 VanDerWaalsContact C-N 3.29Å; R193-Y195 PolarHBondContact O-N 3.47Å; Y195-K199 WeakPolarHBondContact O-CB 3.2Å; Y195-K199 WeakPolarHBondContact O-CE 3.31Å; Y195-K199 VanDerWaalsContact O-CG 3.25Å; Y195-K199 WeakPolarHBondContact O-CG 3.39Å; Y195-K199 PolarHBondContact O-N 2.66Å
196	Q	89.6	Confident	82.5	Confident	85 Å²	85	75.8 Å²	75.8	40%	0.397	39%	0.388	S	S	.	.	H	α-helix	trans	-68.5	-41.9	172.8	-63	-59.6	-9.7	0	0	111.8	H192 R193 L194 I198 K199 A200	H192-Q196 PolarHBondContact NE2-NE2 3.16Å; H192-Q196 VanDerWaalsContact NE2-NE2 3.19Å; H192-Q196 WeakPolarHBondContact O-CG 3.22Å; H192-Q196 PolarHBondContact O-N 3.33Å; R193-Q196 WeakPolarHBondContact O-CB 3.18Å; R193-Q196 PolarHBondContact O-N 3.01Å; L194-Q196 VanDerWaalsContact C-N 3.3Å; L194-Q196 PolarHBondContact O-N 3.34Å; Q196-I198 PolarHBondContact O-N 2.7Å; Q196-K199 VanDerWaalsContact CD-NZ 3.3Å; Q196-K199 VanDerWaalsContact NE2-NZ 3.13Å; Q196-K199 PolarHBondContact O-N 2.91Å; Q196-A200 VanDerWaalsContact O-CB 3.27Å; Q196-A200 WeakPolarHBondContact O-CB 3.49Å; Q196-A200 PolarHBondContact O-N 3.25Å
197	Q	83.7	Confident	80.7	Confident	51 Å²	51	81.2 Å²	81.2	24%	0.238	41%	0.412	C	S	.	.	H	α-helix	trans	-58.3	-49	175.7	-66.3	176.1	24.9	0	0	111	F186 W187 D188 R193 L194 A200 G201 A202	F186-Q197 HydrophobicContact CD1-CB 4.27Å; W187-Q197 PolarHBondContact O-NE2 2.68Å; W187-Q197 PolarHBondContact O-OE1 2.99Å; D188-Q197 PolarHBondContact OD2-NE2 2.88Å; R193-Q197 WeakPolarHBondContact O-CG 3.48Å; R193-Q197 PolarHBondContact O-N 2.93Å; L194-Q197 WeakPolarHBondContact O-CB 3.46Å; L194-Q197 PolarHBondContact O-N 3Å; Q197-A200 PolarHBondContact O-N 2.78Å; Q197-G201 PolarHBondContact O-N 3.27Å; Q197-A202 PolarHBondContact O-N 3.47Å
198	I	85.8	Confident	78.3	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-59.9	-50.7	177.8	-67.6	169.3	0	0	0	110.5	P150 L153 P155 L158 W170 F186 L194 Q196 A200 G201	P150-I198 WeakPolarHBondContact O-CD1 3.48Å; L153-I198 VanDerWaalsContact O-CG2 3.24Å; L153-I198 WeakPolarHBondContact O-CG2 3.5Å; P155-I198 HydrophobicContact CG-CG2 4.24Å; L158-I198 HydrophobicContact CD1-CB 3.69Å; L158-I198 HydrophobicContact CD1-CD1 4.2Å; L158-I198 HydrophobicContact CD1-CG2 3.44Å; L158-I198 VanDerWaalsContact CD1-CG2 3.44Å; L158-I198 HydrophobicContact CG-CG2 4.49Å; W170-I198 HydrophobicContact CZ2-CG2 3.78Å; F186-I198 HydrophobicContact CB-CD1 4.46Å; F186-I198 HydrophobicContact CB-CG1 3.82Å; F186-I198 HydrophobicContact CD1-CG1 4.22Å; F186-I198 HydrophobicContact CD2-CG1 3.94Å; F186-I198 HydrophobicContact CG-CG1 3.73Å; L194-I198 HydrophobicContact CD1-CD1 4Å; L194-I198 HydrophobicContact CD1-CG1 4.34Å; L194-I198 HydrophobicContact CG-CD1 4Å; L194-I198 WeakPolarHBondContact O-CG1 3.49Å; L194-I198 PolarHBondContact O-N 3.23Å; Q196-I198 PolarHBondContact O-N 2.7Å; I198-A200 PolarHBondContact O-N 3.16Å; I198-G201 PolarHBondContact O-N 3.36Å
199	K	84.8	Confident	76	Confident	55 Å²	55	85.4 Å²	85.4	24%	0.239	45%	0.451	C	S	.	.	H	α-helix	trans	-62	-29.9	179.9	-77.1	179.7	-68.7	167.3	0	113.3	L158 R159 Y195 Q196	L158-K199 HydrophobicContact CB-CD 4.12Å; L158-K199 HydrophobicContact CB-CG 3.9Å; L158-K199 HydrophobicContact CD1-CG 4.06Å; R159-K199 HydrophobicContact CG-CD 4.18Å; R159-K199 HydrophobicContact CG-CG 4.34Å; R159-K199 PolarHBondContact NH2-O 3.47Å; Y195-K199 WeakPolarHBondContact O-CB 3.2Å; Y195-K199 WeakPolarHBondContact O-CE 3.31Å; Y195-K199 VanDerWaalsContact O-CG 3.25Å; Y195-K199 WeakPolarHBondContact O-CG 3.39Å; Y195-K199 PolarHBondContact O-N 2.66Å; Q196-K199 VanDerWaalsContact CD-NZ 3.3Å; Q196-K199 VanDerWaalsContact NE2-NZ 3.13Å; Q196-K199 PolarHBondContact O-N 2.91Å
200	A	84.8	Confident	73.3	Confident	78 Å²	78	81.1 Å²	81.1	65%	0.645	45%	0.451	S	S	*	.	H	α-helix	trans	-84.4	-12.4	176.5	0	0	0	0	0	113	Q196 Q197 I198 A202	Q196-A200 VanDerWaalsContact O-CB 3.27Å; Q196-A200 WeakPolarHBondContact O-CB 3.49Å; Q196-A200 PolarHBondContact O-N 3.25Å; Q197-A200 PolarHBondContact O-N 2.78Å; I198-A200 PolarHBondContact O-N 3.16Å; A200-A202 HydrophobicContact CB-CB 4.12Å; A200-A202 PolarHBondContact O-N 3.48Å
201	G	82.5	Confident	70.5	Confident	32 Å²	32	81.7 Å²	81.7	33%	0.33	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	29.4	-169	0	0	0	0	0	112.2	Q197 I198 Y203	Q197-G201 PolarHBondContact O-N 3.27Å; I198-G201 PolarHBondContact O-N 3.36Å; G201-Y203 WeakPolarHBondContact O-CD1 3.32Å; G201-Y203 PolarHBondContact O-N 3.09Å; G201-Y203 VanDerWaalsContact O-N 3.09Å
202	A	81.6	Confident	67.8	Low	56 Å²	56	83 Å²	83	46%	0.463	49%	0.487	S	S	.	.			trans	-83.9	82	-176.6	0	0	0	0	0	110.2	Q197 A200	Q197-A202 PolarHBondContact O-N 3.47Å; A200-A202 HydrophobicContact CB-CB 4.12Å; A200-A202 PolarHBondContact O-N 3.48Å
203	Y	76.9	Confident	65.1	Low	102 Å²	102	81.4 Å²	81.4	40%	0.4	49%	0.489	S	S	.	.			trans	-113.5	148	168.6	62.7	-83.7	0	0	0	109.3	Y177 F186 G201 V205	Y177-Y203 HydrophobicContact CE2-CD2 4.4Å; F186-Y203 HydrophobicContact CE1-CD1 4.12Å; F186-Y203 HydrophobicContact CE1-CG 4.4Å; F186-Y203 AromaticContact CZ-CD1 3.97Å; F186-Y203 HydrophobicContact CZ-CD1 3.97Å; F186-Y203 HydrophobicContact CZ-CG 4.41Å; G201-Y203 WeakPolarHBondContact O-CD1 3.32Å; G201-Y203 PolarHBondContact O-N 3.09Å; G201-Y203 VanDerWaalsContact O-N 3.09Å; Y203-V205 HydrophobicContact CD2-CG2 3.94Å; Y203-V205 HydrophobicContact CE2-CG2 3.73Å
204	D	68.3	Low	62.2	Low	103 Å²	103	80 Å²	80	55%	0.551	50%	0.503	S	S	*	.			trans	-100.7	145.1	176.8	-159.5	-10.4	0	0	0	110.6	Y177 S206	Y177-D204 PolarHBondContact OH-O 3.3Å; D204-S206 VanDerWaalsContact OD1-CB 3.26Å; D204-S206 WeakPolarHBondContact OD1-CB 3.27Å; D204-S206 PolarHBondContact OD1-N 2.94Å; D204-S206 PolarHBondContact OD1-OG 3.03Å; D204-S206 WeakPolarHBondContact OD2-CB 3.04Å; D204-S206 PolarHBondContact OD2-OG 3.34Å
205	V	58	Low	59.2	Low	92 Å²	92	85 Å²	85	56%	0.558	54%	0.538	S	S	*	.			trans	-117.3	23.7	174.3	-156.5	0	0	0	0	109.6	Y203 F207	Y203-V205 HydrophobicContact CD2-CG2 3.94Å; Y203-V205 HydrophobicContact CE2-CG2 3.73Å; V205-F207 PolarHBondContact O-N 2.92Å
206	S	49.6	Very low	56.3	Low	74 Å²	74	90 Å²	90	52%	0.517	57%	0.573	S	S	.	*			trans	-66.2	68.3	-176.5	49.8	0	0	0	0	113.3	D204 T208	D204-S206 VanDerWaalsContact OD1-CB 3.26Å; D204-S206 WeakPolarHBondContact OD1-CB 3.27Å; D204-S206 PolarHBondContact OD1-N 2.94Å; D204-S206 PolarHBondContact OD1-OG 3.03Å; D204-S206 WeakPolarHBondContact OD2-CB 3.04Å; D204-S206 PolarHBondContact OD2-OG 3.34Å; S206-T208 PolarHBondContact O-N 2.99Å
207	F	48.1	Very low	53.1	Low	125 Å²	125	95.2 Å²	95.2	55%	0.548	59%	0.59	S	S	.	*			trans	-74.5	105.4	155.2	-84.4	-91.4	0	0	0	107.7	V181 V205 L209	V181-F207 HydrophobicContact CB-CZ 4.41Å; V181-F207 HydrophobicContact CG1-CE2 4.01Å; V181-F207 HydrophobicContact CG1-CZ 3.81Å; V181-F207 HydrophobicContact CG2-CE2 3.8Å; V181-F207 HydrophobicContact CG2-CZ 3.93Å; V205-F207 PolarHBondContact O-N 2.92Å; F207-L209 PolarHBondContact O-N 2.79Å; F207-L209 VanDerWaalsContact O-N 3.16Å
208	T	35.2	Very low	50.2	Low	136 Å²	136	98.4 Å²	98.4	83%	0.834	62%	0.617	S	S	*	*			trans	-66.1	109.2	148.9	16.7	0	0	0	0	105.8	S206 G210	S206-T208 PolarHBondContact O-N 2.99Å; T208-G210 PolarHBondContact O-N 3.17Å
209	L	39.7	Very low	47.4	Very low	158 Å²	158	106 Å²	106	83%	0.827	66%	0.657	S	S	*	*			trans	-61.6	72.9	170	-81.1	159.3	0	0	0	109.5	F207	F207-L209 PolarHBondContact O-N 2.79Å; F207-L209 VanDerWaalsContact O-N 3.16Å
210	G	31.4	Very low	44.8	Very low	77 Å²	77	106.8 Å²	106.8	79%	0.794	68%	0.681	S	S	*	*			trans	-100.7	56.5	177.2	0	0	0	0	0	111	T208	T208-G210 PolarHBondContact O-N 3.17Å
211	G	32	Very low	42	Very low	73 Å²	73	111.9 Å²	111.9	75%	0.753	69%	0.692	S	S	*	*	S	Bend	trans	102	-0.8	148.2	0	0	0	0	0	120
212	V	32.9	Very low	39.3	Very low	146 Å²	146	115 Å²	115	89%	0.885	71%	0.714	S	S	*	*			trans	-145.7	128.1	168.9	-161.8	0	0	0	0	111.6
213	C	31.7	Very low	36.6	Very low	85 Å²	85	120.1 Å²	120.1	57%	0.574	73%	0.729	S	S	*	*			trans	105.5	78.8	170.5	-141.6	0	0	0	0	116.4	E79	E79-C213 PolarHBondContact OE1-SG 3.4Å
214	A	30.6	Very low	34.7	Very low	91 Å²	91	121.6 Å²	121.6	75%	0.752	75%	0.748	S	S	*	*			trans	-163.4	76.4	149.8	0	0	0	0	0	108
215	C	24.9	Very low	32.9	Very low	121 Å²	121	123 Å²	123	82%	0.818	75%	0.751	S	S	*	*			trans	-142.9	98.4	166.5	-98.2	0	0	0	0	109.8
216	V	30.3	Very low	31.8	Very low	149 Å²	149	120.5 Å²	120.5	90%	0.903	74%	0.738	S	S	*	*			trans	-125.5	105.4	148.7	-177.2	0	0	0	0	106.4
217	Y	22.6	Very low	31.4	Very low	196 Å²	196	122.1 Å²	122.1	77%	0.769	74%	0.74	S	S	*	*			trans	-102.3	127.7	167.6	-126.2	-90.3	0	0	0	106.9
218	C	23.1	Very low	30.7	Very low	117 Å²	117	121.5 Å²	121.5	79%	0.791	74%	0.743	S	S	*	*			trans	-164.5	127	143.9	-97	0	0	0	0	110.7
219	N	26.9	Very low	30.6	Very low	159 Å²	159	121.7 Å²	121.7	85%	0.85	73%	0.728	S	S	*	*	S	Bend	trans	82.7	42.2	167.1	-62.1	-15.8	0	0	0	120.4	Q221	N219-Q221 VanDerWaalsContact C-N 3.33Å; N219-Q221 PolarHBondContact O-N 2.95Å
220	G	30.7	Very low	30.4	Very low	72 Å²	72	119.1 Å²	119.1	74%	0.742	71%	0.714	S	S	*	*	S	Bend	trans	79.3	-1.7	138.4	0	0	0	0	0	118.5
221	Q	24.8	Very low	30.6	Very low	185 Å²	185	118.9 Å²	118.9	86%	0.864	69%	0.693	S	S	*	*			trans	-138.3	101.7	159	-72	-168.7	-30.9	0	0	108.2	N219 E223	N219-Q221 VanDerWaalsContact C-N 3.33Å; N219-Q221 PolarHBondContact O-N 2.95Å; Q221-E223 PolarHBondContact O-N 2.99Å
222	A	26.2	Very low	30.6	Very low	98 Å²	98	121.8 Å²	121.8	81%	0.81	69%	0.685	S	S	*	*			trans	-78.6	99.9	175.7	0	0	0	0	0	109
223	E	24.8	Very low	30.4	Very low	164 Å²	164	122.3 Å²	122.3	77%	0.766	68%	0.676	S	S	*	*			trans	-103.3	113.6	156.3	-84.6	-170.8	166.8	0	0	108.8	Q221 Q225	Q221-E223 PolarHBondContact O-N 2.99Å; E223-Q225 PolarHBondContact O-N 3Å
224	V	36.1	Very low	30.4	Very low	132 Å²	132	121.5 Å²	121.5	80%	0.8	67%	0.666	S	S	*	*			trans	-58.3	102.5	167.2	178.2	0	0	0	0	107.6	S226	V224-S226 PolarHBondContact O-N 3.37Å
225	Q	30.6	Very low	30.4	Very low	132 Å²	132	120.1 Å²	120.1	62%	0.617	65%	0.651	S	S	*	*			trans	-88.2	90.5	161.7	-66.8	-162.3	8.7	0	0	106.8	E223 R229	E223-Q225 PolarHBondContact O-N 3Å; Q225-R229 VanDerWaalsContact CD-NH1 3.34Å
226	S	36.3	Very low	30.6	Very low	41 Å²	41	117.3 Å²	117.3	29%	0.287	64%	0.636	S	S	.	*			trans	-61.1	153	-174.1	52.6	0	0	0	0	112.2	V224 D228 R229	V224-S226 PolarHBondContact O-N 3.37Å; S226-D228 WeakPolarHBondContact CB-OD2 3.25Å; S226-D228 PolarHBondContact O-N 3.49Å; S226-D228 VanDerWaalsContact OG-CB 3.28Å; S226-D228 WeakPolarHBondContact OG-CB 3.33Å; S226-D228 PolarHBondContact OG-OD2 3.25Å; S226-R229 PolarHBondContact O-N 3Å
227	L	39.8	Very low	30.5	Very low	107 Å²	107	115.1 Å²	115.1	56%	0.56	63%	0.627	S	S	*	*	H	α-helix	trans	-39.5	-26.4	160.6	-88.9	141	0	0	0	113	L180 R229 I230 M231	L180-L227 HydrophobicContact CD1-CD2 4.02Å; L227-R229 VanDerWaalsContact C-N 3.28Å; L227-R229 PolarHBondContact O-N 3.2Å; L227-I230 PolarHBondContact O-N 2.93Å; L227-M231 PolarHBondContact O-N 3.37Å; L227-M231 VanDerWaalsContact O-N 3.12Å
228	D	34.2	Very low	31	Very low	112 Å²	112	117.3 Å²	117.3	60%	0.599	64%	0.644	S	S	*	*	H	α-helix	trans	-56	-36.6	172.7	-50.6	-47	0	0	0	112.6	S226 F232	S226-D228 WeakPolarHBondContact CB-OD2 3.25Å; S226-D228 PolarHBondContact O-N 3.49Å; S226-D228 VanDerWaalsContact OG-CB 3.28Å; S226-D228 WeakPolarHBondContact OG-CB 3.33Å; S226-D228 PolarHBondContact OG-OD2 3.25Å; D228-F232 WeakPolarHBondContact O-CA 3.26Å; D228-F232 WeakPolarHBondContact O-CB 3.37Å; D228-F232 PolarHBondContact O-N 2.99Å
229	R	32.4	Very low	31.4	Very low	141 Å²	141	117.3 Å²	117.3	53%	0.532	64%	0.637	S	S	.	*	H	α-helix	trans	-70.6	-35.8	-179.3	-81.3	-172.1	177.2	-174.3	1.4	113.5	Q225 S226 L227 F232 F233	Q225-R229 VanDerWaalsContact CD-NH1 3.34Å; S226-R229 PolarHBondContact O-N 3Å; L227-R229 VanDerWaalsContact C-N 3.28Å; L227-R229 PolarHBondContact O-N 3.2Å; R229-F232 PolarHBondContact O-N 3.05Å; R229-F233 WeakPolarHBondContact O-CD2 3.2Å; R229-F233 PolarHBondContact O-N 3.35Å
230	I	36.3	Very low	31.6	Very low	103 Å²	103	115.1 Å²	115.1	53%	0.528	63%	0.626	S	S	.	*	H	α-helix	trans	-71.1	-41.7	177.3	-64.7	175.2	0	0	0	109.7	L176 L227 F233 L234	L176-I230 HydrophobicContact CD2-CG2 4.39Å; L227-I230 PolarHBondContact O-N 2.93Å; I230-F233 PolarHBondContact O-N 2.63Å; I230-L234 PolarHBondContact O-N 3.15Å
231	M	34.7	Very low	31.7	Very low	72 Å²	72	117.5 Å²	117.5	36%	0.355	62%	0.619	S	S	.	*	H	α-helix	trans	-71.6	-30.9	174.3	-65.6	-62.4	-74.4	0	0	112.5	L227 L234 S235	L227-M231 PolarHBondContact O-N 3.37Å; L227-M231 VanDerWaalsContact O-N 3.12Å; M231-L234 WeakPolarHBondContact O-CB 3.45Å; M231-L234 PolarHBondContact O-N 2.83Å; M231-L234 HydrophobicContact SD-CD1 4.03Å; M231-S235 PolarHBondContact O-N 2.91Å
232	F	33	Very low	32.1	Very low	135 Å²	135	113.5 Å²	113.5	59%	0.592	61%	0.605	S	S	*	*	H	α-helix	trans	-71.1	-34.2	176	-169.3	-92.2	0	0	0	111.4	D228 R229 L234 S235 A236	D228-F232 WeakPolarHBondContact O-CA 3.26Å; D228-F232 WeakPolarHBondContact O-CB 3.37Å; D228-F232 PolarHBondContact O-N 2.99Å; R229-F232 PolarHBondContact O-N 3.05Å; F232-L234 VanDerWaalsContact C-N 3.25Å; F232-L234 PolarHBondContact O-N 3.36Å; F232-S235 WeakPolarHBondContact CA-OG 3.37Å; F232-S235 PolarHBondContact O-N 3.02Å; F232-S235 PolarHBondContact O-OG 3.02Å; F232-S235 VanDerWaalsContact O-OG 3.13Å; F232-A236 HydrophobicContact CD1-CB 4.03Å; F232-A236 HydrophobicContact CE1-CB 3.94Å; F232-A236 WeakPolarHBondContact O-CB 3.23Å; F232-A236 PolarHBondContact O-N 3.32Å
233	F	28.8	Very low	32.4	Very low	157 Å²	157	114.5 Å²	114.5	69%	0.689	59%	0.592	S	S	*	*	H	α-helix	trans	-62.8	-33.1	169.3	-101.5	-81.6	0	0	0	112.2	R229 I230 S237	R229-F233 WeakPolarHBondContact O-CD2 3.2Å; R229-F233 PolarHBondContact O-N 3.35Å; I230-F233 PolarHBondContact O-N 2.63Å; F233-S237 PolarHBondContact O-OG 3.19Å
234	L	31.9	Very low	32.9	Very low	68 Å²	68	111.2 Å²	111.2	36%	0.356	58%	0.58	S	S	.	*	H	α-helix	trans	-74.3	-30.4	173.8	-65.4	171.5	0	0	0	112.7	M169 I230 M231 F232	M169-L234 HydrophobicContact CB-CD2 3.92Å; M169-L234 HydrophobicContact CE-CD2 3.83Å; I230-L234 PolarHBondContact O-N 3.15Å; M231-L234 WeakPolarHBondContact O-CB 3.45Å; M231-L234 PolarHBondContact O-N 2.83Å; M231-L234 HydrophobicContact SD-CD1 4.03Å; F232-L234 VanDerWaalsContact C-N 3.25Å; F232-L234 PolarHBondContact O-N 3.36Å
235	S	30.3	Very low	32.7	Very low	62 Å²	62	109.7 Å²	109.7	43%	0.434	57%	0.565	S	S	.	*	H	α-helix	trans	-86.7	-27.9	176.5	67.1	0	0	0	0	114.6	M231 F232 S237	M231-S235 PolarHBondContact O-N 2.91Å; F232-S235 WeakPolarHBondContact CA-OG 3.37Å; F232-S235 PolarHBondContact O-N 3.02Å; F232-S235 PolarHBondContact O-OG 3.02Å; F232-S235 VanDerWaalsContact O-OG 3.13Å; S235-S237 VanDerWaalsContact C-N 3.33Å
236	A	28.1	Very low	32.9	Very low	62 Å²	62	108 Å²	108	51%	0.512	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.7	6.4	-174.6	0	0	0	0	0	114	F232 Q238	F232-A236 HydrophobicContact CD1-CB 4.03Å; F232-A236 HydrophobicContact CE1-CB 3.94Å; F232-A236 WeakPolarHBondContact O-CB 3.23Å; F232-A236 PolarHBondContact O-N 3.32Å; A236-Q238 VanDerWaalsContact C-N 3.31Å
237	S	29.2	Very low	32.6	Very low	103 Å²	103	113.6 Å²	113.6	72%	0.72	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	18	172.7	-55	0	0	0	0	113	F233 S235	F233-S237 PolarHBondContact O-OG 3.19Å; S235-S237 VanDerWaalsContact C-N 3.33Å
238	Q	32.4	Very low	31.9	Very low	241 Å²	241	114.2 Å²	114.2	100%	1.126	59%	0.586	S	S	*	*			trans	-84.6	0	169.8	-74.4	-178.2	46.4	0	0	111.6	A236	A236-Q238 VanDerWaalsContact C-N 3.31Å

Retrieved 238 of 238 residues in 417.7 ms (Link to these results)

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