A0A087Y4R4_POEFO Loading...

Cyclin B1 interacting protein 1

AlphaFold DB , UniProt , Accession A0A087Y4R4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 198 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	41.2	Very low	70	Confident	242 Å²	242	85.7 Å²	85.7	100%	1.192	49%	0.489	S	S	*	.				0	122.7	0	-75.8	176.7	174.5	0	0	106.6	L3	M1-L3 PolarHBondContact O-N 3.34Å
2	S	37.8	Very low	72.2	Confident	110 Å²	110	84.3 Å²	84.3	77%	0.769	47%	0.47	S	S	*	.			trans	-61.1	130.4	-172.7	-176.3	0	0	0	0	111	G4	S2-G4 PolarHBondContact O-N 3.45Å
3	L	44.8	Very low	73.8	Confident	189 Å²	189	83.5 Å²	83.5	99%	0.99	47%	0.471	S	S	*	.	S	Bend	trans	-73.5	32.6	172	-83.7	159.3	0	0	0	112.4	M1	M1-L3 PolarHBondContact O-N 3.34Å
4	G	46.3	Very low	75	Confident	47 Å²	47	92.5 Å²	92.5	49%	0.485	50%	0.503	S	S	.	.			trans	-160.4	36.9	-162.4	0	0	0	0	0	115.6	S2	S2-G4 PolarHBondContact O-N 3.45Å
5	D	57.4	Low	76.3	Confident	100 Å²	100	88.9 Å²	88.9	54%	0.535	49%	0.486	S	S	.	.			trans	-115.4	71.8	163.2	-146	28.4	0	0	0	106.4	T7 K18	D5-T7 PolarHBondContact O-N 3.4Å; D5-T7 PolarHBondContact O-OG1 3.26Å; D5-K18 IonicContact OD2-NZ 3.74Å; D5-K18 PolarHBondContact OD2-NZ 3.48Å
6	D	70	Confident	77.3	Confident	123 Å²	123	88.4 Å²	88.4	66%	0.658	48%	0.475	S	S	*	.			trans	-62.8	74.6	176.1	-75.7	-26.3	0	0	0	109	W96	D6-W96 HydrophobicContact CB-CZ3 4.29Å; D6-W96 WeakPolarHBondContact O-CH2 3.38Å
7	T	87.8	Confident	78.4	Confident	52 Å²	52	85.6 Å²	85.6	32%	0.319	47%	0.467	S	S	.	.			trans	-113.2	124.6	-173.7	42	0	0	0	0	107.7	D5 L9	D5-T7 PolarHBondContact O-N 3.4Å; D5-T7 PolarHBondContact O-OG1 3.26Å; T7-L9 PolarHBondContact O-N 3.17Å
8	L	94.8	Very high	79.3	Confident	8 Å²	8	88.1 Å²	88.1	4%	0.042	47%	0.472	C	S	.	.			trans	-63.9	136.8	172.7	-65.9	175.9	0	0	0	109	L19 V31 L66 F95 W96 Q99	L8-L19 HydrophobicContact CB-CB 4.18Å; L8-L19 HydrophobicContact CB-CD1 3.98Å; L8-L19 HydrophobicContact CB-CG 4.36Å; L8-L19 WeakPolarHBondContact O-CB 3.41Å; L8-L19 WeakPolarHBondContact O-CG 3.48Å; L8-L19 PolarHBondContact O-N 3.41Å; L8-V31 HydrophobicContact CB-CG1 4.28Å; L8-V31 HydrophobicContact CD1-CG2 4.41Å; L8-V31 HydrophobicContact CD2-CG1 4.49Å; L8-L66 HydrophobicContact CD1-CD1 4.48Å; L8-L66 HydrophobicContact CD1-CD2 3.84Å; L8-F95 HydrophobicContact CD1-CE1 4.06Å; L8-F95 HydrophobicContact CD1-CZ 4.49Å; L8-F95 HydrophobicContact CD2-CE1 4.09Å; L8-W96 HydrophobicContact CD1-CH2 4.23Å; L8-W96 HydrophobicContact CD1-CZ2 4.04Å; L8-W96 HydrophobicContact CD2-CD2 4.22Å; L8-W96 HydrophobicContact CD2-CE3 3.83Å; L8-W96 HydrophobicContact CD2-CH2 3.82Å; L8-W96 HydrophobicContact CD2-CZ2 4.16Å; L8-W96 HydrophobicContact CD2-CZ3 3.63Å; L8-W96 HydrophobicContact CG-CE3 4.48Å; L8-W96 HydrophobicContact CG-CH2 3.54Å; L8-W96 HydrophobicContact CG-CZ2 3.86Å; L8-W96 HydrophobicContact CG-CZ3 3.87Å; L8-Q99 HydrophobicContact CD2-CB 3.84Å; L8-Q99 HydrophobicContact CD2-CG 3.79Å
9	L	96	Very high	80.2	Confident	29 Å²	29	84.3 Å²	84.3	15%	0.152	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-109.9	143.5	175.4	-58.6	-177.3	0	0	0	109.3	T7 N11 A17 K18 E103	T7-L9 PolarHBondContact O-N 3.17Å; L9-N11 PolarHBondContact O-N 3.18Å; L9-N11 VanDerWaalsContact O-N 3.16Å; L9-A17 WeakPolarHBondContact CA-O 3.36Å; L9-K18 HydrophobicContact CD2-CB 4.35Å; L9-K18 HydrophobicContact CD2-CG 3.74Å; L9-E103 HydrophobicContact CD1-CG 4.34Å
10	C	97.1	Very high	80.8	Confident	4 Å²	4	85.2 Å²	85.2	3%	0.027	47%	0.465	C	S	.	.			trans	-59.1	121.4	175	-175	0	0	0	0	110.7	Y12 C15 A17 L19 C33	C10-Y12 PolarHBondContact O-N 3.49Å; C10-Y12 VanDerWaalsContact SG-CB 3.53Å; C10-Y12 PolarHBondContact SG-N 2.95Å; C10-C15 HydrophobicContact CB-CB 4.17Å; C10-A17 HydrophobicContact CB-CB 4.49Å; C10-A17 PolarHBondContact N-O 3.3Å; C10-L19 HydrophobicContact CB-CD2 3.95Å; C10-C33 HydrophobicContact CB-CB 4.38Å; C10-C33 PolarHBondContact SG-N 2.76Å; C10-C33 VanDerWaalsContact SG-N 3.42Å
11	N	97	Very high	81.4	Confident	39 Å²	39	82.9 Å²	82.9	21%	0.209	46%	0.461	C	S	.	.			trans	-77.9	2.9	177.3	-58.3	142.4	0	0	0	113.3	L9 H30 V31 F32 A50 Q99	L9-N11 PolarHBondContact O-N 3.18Å; L9-N11 VanDerWaalsContact O-N 3.16Å; N11-H30 HydrophobicContact CB-CB 4.35Å; N11-H30 VanDerWaalsContact OD1-CA 3.3Å; N11-H30 WeakPolarHBondContact OD1-CA 3.49Å; N11-V31 WeakPolarHBondContact CB-O 3.42Å; N11-V31 PolarHBondContact N-O 3.17Å; N11-V31 PolarHBondContact OD1-N 3Å; N11-V31 PolarHBondContact OD1-O 3.34Å; N11-F32 HydrophobicContact CB-CE1 4.09Å; N11-F32 HydrophobicContact CB-CZ 4.35Å; N11-A50 HydrophobicContact CB-CB 4.21Å; N11-Q99 PolarHBondContact ND2-OE1 3.41Å; N11-Q99 VanDerWaalsContact ND2-OE1 3.17Å; N11-Q99 PolarHBondContact OD1-NE2 3.27Å; N11-Q99 PolarHBondContact OD1-OE1 2.99Å
12	Y	96.7	Very high	84	Confident	68 Å²	68	75.3 Å²	75.3	27%	0.267	42%	0.422	S	S	.	.	S	Bend	trans	-65.4	132.4	172.8	-166.7	-91	0	0	0	109.7	C10 K14 C15 H36 E40 P49	C10-Y12 PolarHBondContact O-N 3.49Å; C10-Y12 VanDerWaalsContact SG-CB 3.53Å; C10-Y12 PolarHBondContact SG-N 2.95Å; Y12-K14 PolarHBondContact O-N 3.37Å; Y12-C15 HydrophobicContact CD1-CB 4.4Å; Y12-C15 PolarHBondContact O-N 3.48Å; Y12-H36 AromaticContact CD1-CD2 3.46Å; Y12-H36 VanDerWaalsContact CD1-CD2 3.46Å; Y12-H36 WeakPolarHBondContact CD1-CD2 3.35Å; Y12-H36 AromaticContact CD1-CE1 3.87Å; Y12-H36 AromaticContact CD1-NE2 3.36Å; Y12-H36 WeakPolarHBondContact CD1-NE2 3.38Å; Y12-H36 HydrophobicContact CD2-CB 3.91Å; Y12-H36 AromaticContact CD2-CD2 3.53Å; Y12-H36 AromaticContact CD2-CG 3.73Å; Y12-H36 AromaticContact CE1-CD2 3.7Å; Y12-H36 AromaticContact CE1-NE2 3.67Å; Y12-H36 AromaticContact CE2-CD2 3.76Å; Y12-H36 HydrophobicContact CG-CB 4.12Å; Y12-H36 AromaticContact CG-CD2 3.36Å; Y12-H36 AromaticContact CG-CG 3.52Å; Y12-H36 AromaticContact CG-ND1 3.91Å; Y12-H36 AromaticContact CG-NE2 3.72Å; Y12-H36 AromaticContact CZ-CD2 3.85Å; Y12-E40 HydrophobicContact CE2-CG 3.98Å; Y12-P49 HydrophobicContact CD2-CB 3.69Å; Y12-P49 HydrophobicContact CD2-CG 4.13Å; Y12-P49 HydrophobicContact CE2-CB 3.82Å; Y12-P49 HydrophobicContact CE2-CG 4.26Å
13	P	92.3	Very high	86.8	Confident	74 Å²	74	70.1 Å²	70.1	48%	0.481	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	126.4	-179.8	-28.2	35.2	0	0	0	111.8	C15	P13-C15 VanDerWaalsContact C-N 3.27Å; P13-C15 PolarHBondContact O-N 3.01Å
14	K	91	Very high	89.3	Confident	210 Å²	210	63.4 Å²	63.4	91%	0.913	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	-3.3	179.4	-46.4	173.6	-179.1	176.2	0	116.9	Y12	Y12-K14 PolarHBondContact O-N 3.37Å
15	C	95	Very high	91.8	Very high	38 Å²	38	62.6 Å²	62.6	26%	0.257	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-60.7	179.3	177.8	0	0	0	0	112.1	C10 Y12 P13 A17 H36	C10-C15 HydrophobicContact CB-CB 4.17Å; Y12-C15 HydrophobicContact CD1-CB 4.4Å; Y12-C15 PolarHBondContact O-N 3.48Å; P13-C15 VanDerWaalsContact C-N 3.27Å; P13-C15 PolarHBondContact O-N 3.01Å; C15-A17 PolarHBondContact O-N 3.1Å; C15-A17 VanDerWaalsContact SG-CB 3.58Å; C15-H36 VanDerWaalsContact CB-CE1 3.45Å; C15-H36 WeakPolarHBondContact CB-CE1 3.43Å; C15-H36 PolarHBondContact SG-CE1 3.27Å
16	R	92.4	Very high	93.7	Very high	81 Å²	81	58.1 Å²	58.1	31%	0.306	31%	0.309	S	S	.	.			trans	50.8	20.9	179.3	-58.1	-167.5	55.4	78.8	13.3	115.2	E103 Y106	R16-E103 IonicContact CZ-OE1 3.47Å; R16-E103 IonicContact CZ-OE2 3.28Å; R16-E103 IonicContact NH1-OE1 3.04Å; R16-E103 IonicContact NH1-OE2 3.41Å; R16-E103 PolarHBondContact NH1-OE2 2.95Å; R16-E103 IonicContact NH2-OE1 3.38Å; R16-E103 PolarHBondContact NH2-OE1 3.33Å; R16-E103 IonicContact NH2-OE2 2.89Å; R16-E103 PolarHBondContact NH2-OE2 3Å; R16-Y106 VanDerWaalsContact CZ-CD1 3.48Å; R16-Y106 VanDerWaalsContact NH1-CE1 3.25Å
17	A	95.1	Very high	95	Very high	41 Å²	41	55.3 Å²	55.3	34%	0.339	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-65	136.8	176.7	0	0	0	0	0	110	L9 C10 C15 L19	L9-A17 WeakPolarHBondContact CA-O 3.36Å; C10-A17 HydrophobicContact CB-CB 4.49Å; C10-A17 PolarHBondContact N-O 3.3Å; C15-A17 PolarHBondContact O-N 3.1Å; C15-A17 VanDerWaalsContact SG-CB 3.58Å; A17-L19 PolarHBondContact O-N 3.15Å
18	K	95.4	Very high	95.4	Very high	130 Å²	130	54.2 Å²	54.2	57%	0.565	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-61.6	131.6	168.7	-70	-171.9	173.6	-167.6	0	109.1	D5 L9	D5-K18 IonicContact OD2-NZ 3.74Å; D5-K18 PolarHBondContact OD2-NZ 3.48Å; L9-K18 HydrophobicContact CD2-CB 4.35Å; L9-K18 HydrophobicContact CD2-CG 3.74Å
19	L	95.8	Very high	95.5	Very high	17 Å²	17	55.8 Å²	55.8	9%	0.089	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-93	132	-179.2	-56.2	-175.7	0	0	0	110	L8 C10 A17 A23 V31 C33 L66	L8-L19 HydrophobicContact CB-CB 4.18Å; L8-L19 HydrophobicContact CB-CD1 3.98Å; L8-L19 HydrophobicContact CB-CG 4.36Å; L8-L19 WeakPolarHBondContact O-CB 3.41Å; L8-L19 WeakPolarHBondContact O-CG 3.48Å; L8-L19 PolarHBondContact O-N 3.41Å; C10-L19 HydrophobicContact CB-CD2 3.95Å; A17-L19 PolarHBondContact O-N 3.15Å; L19-A23 HydrophobicContact CD1-CB 4.04Å; L19-V31 HydrophobicContact CD1-CB 4.17Å; L19-V31 HydrophobicContact CD1-CG1 3.78Å; L19-V31 HydrophobicContact CD1-CG2 3.46Å; L19-V31 VanDerWaalsContact CD1-CG2 3.46Å; L19-C33 HydrophobicContact CD2-CB 3.52Å; L19-L66 HydrophobicContact CB-CD1 3.63Å
20	S	92.7	Very high	95.6	Very high	102 Å²	102	55 Å²	55	71%	0.713	30%	0.3	S	S	*	.			trans	-148.6	147.9	179.1	59.3	0	0	0	0	109.5	F22	S20-F22 PolarHBondContact O-N 2.98Å
21	G	92.4	Very high	95.6	Very high	36 Å²	36	54.8 Å²	54.8	37%	0.371	30%	0.298	S	S	.	.	S	Bend	trans	73.1	-106.3	-175.6	0	0	0	0	0	110.4	E65 L66	G21-E65 CarbonylContact O-C 3.57Å; G21-E65 WeakPolarHBondContact O-CA 3.44Å; G21-L66 WeakPolarHBondContact O-CB 3.4Å; G21-L66 PolarHBondContact O-N 3.47Å
22	F	95.3	Very high	95.7	Very high	84 Å²	84	53 Å²	53	37%	0.368	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	144.1	-179.1	-69.8	-85.1	0	0	0	113.1	S20 R63 T64 E65	S20-F22 PolarHBondContact O-N 2.98Å; F22-R63 HydrophobicContact CD1-CG 4.41Å; F22-R63 VanDerWaalsContact CG-CZ 3.45Å; F22-R63 VanDerWaalsContact CG-NH1 3.28Å; F22-T64 WeakPolarHBondContact CA-O 3.37Å; F22-E65 HydrophobicContact CD1-CB 4.04Å; F22-E65 HydrophobicContact CE1-CB 3.7Å; F22-E65 HydrophobicContact CE1-CG 4.24Å; F22-E65 HydrophobicContact CZ-CB 4.22Å; F22-E65 HydrophobicContact CZ-CG 4.29Å
23	A	97.4	Very high	95.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156.4	172.5	0	0	0	0	0	111.5	L19 V31 F32 R63 T64 L66	L19-A23 HydrophobicContact CD1-CB 4.04Å; A23-V31 HydrophobicContact CB-CG2 3.71Å; A23-F32 WeakPolarHBondContact CA-O 3.48Å; A23-R63 CarbonylContact O-C 3.57Å; A23-R63 WeakPolarHBondContact O-CA 3.45Å; A23-T64 PolarHBondContact N-O 3.37Å; A23-T64 PolarHBondContact O-N 2.89Å; A23-L66 HydrophobicContact CB-CD1 3.87Å; A23-L66 HydrophobicContact CB-CD2 4Å; A23-L66 HydrophobicContact CB-CG 3.98Å
24	W	97.7	Very high	95.9	Very high	48 Å²	48	50.2 Å²	50.2	18%	0.182	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.6	175.8	-68.1	74.3	0	0	0	109	V31 F32 D34 F41 I61 V62 R63	W24-V31 CarbonylContact O-C 3.6Å; W24-V31 VanDerWaalsContact O-CA 3.26Å; W24-V31 WeakPolarHBondContact O-CA 3.45Å; W24-F32 HydrophobicContact CB-CB 4.32Å; W24-F32 PolarHBondContact N-O 3.4Å; W24-F32 PolarHBondContact O-N 3.16Å; W24-D34 PolarHBondContact NE1-OD1 3.35Å; W24-F41 HydrophobicContact CB-CD2 4.14Å; W24-F41 HydrophobicContact CB-CE2 3.9Å; W24-F41 HydrophobicContact CD2-CD2 4.16Å; W24-F41 HydrophobicContact CE3-CB 4.37Å; W24-F41 AromaticContact CE3-CD2 3.66Å; W24-F41 HydrophobicContact CE3-CD2 3.66Å; W24-F41 HydrophobicContact CE3-CG 4.47Å; W24-F41 HydrophobicContact CG-CD2 4.4Å; W24-F41 HydrophobicContact CZ3-CB 4.24Å; W24-F41 HydrophobicContact CZ3-CD2 4.37Å; W24-I61 HydrophobicContact CE3-CG2 3.59Å; W24-I61 HydrophobicContact CZ3-CG2 3.94Å; W24-V62 CarbonylContact C-O 3.58Å; W24-V62 WeakPolarHBondContact CA-O 3.35Å; W24-R63 HydrophobicContact CD2-CB 4.16Å; W24-R63 HydrophobicContact CD2-CG 4.36Å; W24-R63 HydrophobicContact CE3-CB 4.36Å; W24-R63 HydrophobicContact CZ2-CB 4.44Å; W24-R63 HydrophobicContact CZ2-CG 4.45Å
25	V	97.7	Very high	96.1	Very high	30 Å²	30	47.4 Å²	47.4	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.3	-178.9	-174.9	0	0	0	0	109.1	H30 V31 I61 V62 T64 F95	V25-H30 CarbonylContact C-O 3.49Å; V25-H30 WeakPolarHBondContact CA-O 3.49Å; V25-V31 HydrophobicContact CG2-CG2 3.89Å; V25-I61 WeakPolarHBondContact O-CA 3.47Å; V25-V62 PolarHBondContact N-O 3.26Å; V25-V62 PolarHBondContact O-N 3.02Å; V25-T64 HydrophobicContact CG2-CG2 3.67Å; V25-F95 HydrophobicContact CG1-CD2 4.38Å; V25-F95 HydrophobicContact CG1-CE2 3.7Å; V25-F95 HydrophobicContact CG1-CZ 4.09Å
26	T	97.7	Very high	96.1	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.043	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	158	178.1	66.1	0	0	0	0	112.3	C28 S29 H30 F32 F41 L55 D60	T26-C28 PolarHBondContact O-N 3.49Å; T26-C28 PolarHBondContact OG1-SG 3.41Å; T26-S29 PolarHBondContact O-N 3Å; T26-H30 PolarHBondContact N-O 2.89Å; T26-H30 PolarHBondContact OG1-N 3.38Å; T26-H30 VanDerWaalsContact OG1-N 3.16Å; T26-H30 PolarHBondContact OG1-O 2.85Å; T26-F32 HydrophobicContact CG2-CD2 4.29Å; T26-F32 HydrophobicContact CG2-CE2 3.84Å; T26-F41 HydrophobicContact CG2-CE1 4.11Å; T26-F41 HydrophobicContact CG2-CE2 4.13Å; T26-F41 HydrophobicContact CG2-CZ 3.51Å; T26-L55 HydrophobicContact CG2-CD1 3.63Å; T26-D60 CarbonylContact C-O 3.43Å; T26-D60 WeakPolarHBondContact CA-O 3.44Å
27	S	96.9	Very high	96.3	Very high	63 Å²	63	43.3 Å²	43.3	44%	0.441	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.1	175.5	54.5	0	0	0	0	113.6	S29 D60	S27-S29 PolarHBondContact O-N 2.95Å; S27-D60 WeakPolarHBondContact CB-OD1 3.43Å; S27-D60 PolarHBondContact N-O 3.34Å; S27-D60 VanDerWaalsContact OG-CG 3.24Å; S27-D60 PolarHBondContact OG-OD1 3.32Å
28	C	97.1	Very high	96.2	Very high	29 Å²	29	43.8 Å²	43.8	20%	0.196	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	19.3	169.8	63.7	0	0	0	0	113.7	T26 H30 C51 T53	T26-C28 PolarHBondContact O-N 3.49Å; T26-C28 PolarHBondContact OG1-SG 3.41Å; C28-H30 VanDerWaalsContact C-N 3.3Å; C28-H30 PolarHBondContact O-N 3.5Å; C28-H30 PolarHBondContact O-ND1 3.39Å; C28-H30 VanDerWaalsContact O-ND1 3.17Å; C28-H30 PolarHBondContact SG-ND1 3.05Å; C28-H30 VanDerWaalsContact SG-ND1 3.36Å; C28-C51 PolarHBondContact SG-SG 2.95Å; C28-T53 HydrophobicContact CB-CG2 4.42Å
29	S	97.2	Very high	96	Very high	41 Å²	41	39.2 Å²	39.2	29%	0.287	24%	0.237	S	C	.	.	S	Bend	trans	62.2	26.9	175.6	-57.6	0	0	0	0	115.1	T26 S27 Y98 Q99	T26-S29 PolarHBondContact O-N 3Å; S27-S29 PolarHBondContact O-N 2.95Å; S29-Y98 WeakPolarHBondContact O-CD1 3.47Å; S29-Y98 VanDerWaalsContact O-CE1 3.32Å; S29-Y98 WeakPolarHBondContact O-CE1 3.46Å; S29-Q99 PolarHBondContact O-NE2 2.92Å
30	H	97.6	Very high	95.9	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.056	24%	0.244	C	C	.	.			trans	-100.9	151.8	171.6	-65.6	97.2	0	0	0	111.3	N11 V25 T26 C28 F32 A50 C51 Y98	N11-H30 HydrophobicContact CB-CB 4.35Å; N11-H30 VanDerWaalsContact OD1-CA 3.3Å; N11-H30 WeakPolarHBondContact OD1-CA 3.49Å; V25-H30 CarbonylContact C-O 3.49Å; V25-H30 WeakPolarHBondContact CA-O 3.49Å; T26-H30 PolarHBondContact N-O 2.89Å; T26-H30 PolarHBondContact OG1-N 3.38Å; T26-H30 VanDerWaalsContact OG1-N 3.16Å; T26-H30 PolarHBondContact OG1-O 2.85Å; C28-H30 VanDerWaalsContact C-N 3.3Å; C28-H30 PolarHBondContact O-N 3.5Å; C28-H30 PolarHBondContact O-ND1 3.39Å; C28-H30 VanDerWaalsContact O-ND1 3.17Å; C28-H30 PolarHBondContact SG-ND1 3.05Å; C28-H30 VanDerWaalsContact SG-ND1 3.36Å; H30-F32 HydrophobicContact CB-CE2 3.56Å; H30-F32 HydrophobicContact CB-CZ 3.66Å; H30-A50 HydrophobicContact CB-CB 4.25Å; H30-A50 WeakPolarHBondContact CD2-CB 3.48Å; H30-C51 PolarHBondContact CE1-SG 3.49Å; H30-Y98 PolarHBondContact CE1-OH 3.47Å; H30-Y98 PolarHBondContact NE2-OH 3.36Å; H30-Y98 VanDerWaalsContact NE2-OH 3.1Å
31	V	98	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.6	-176.9	67.8	0	0	0	0	112.1	L8 N11 L19 A23 W24 V25 F95	L8-V31 HydrophobicContact CB-CG1 4.28Å; L8-V31 HydrophobicContact CD1-CG2 4.41Å; L8-V31 HydrophobicContact CD2-CG1 4.49Å; N11-V31 WeakPolarHBondContact CB-O 3.42Å; N11-V31 PolarHBondContact N-O 3.17Å; N11-V31 PolarHBondContact OD1-N 3Å; N11-V31 PolarHBondContact OD1-O 3.34Å; L19-V31 HydrophobicContact CD1-CB 4.17Å; L19-V31 HydrophobicContact CD1-CG1 3.78Å; L19-V31 HydrophobicContact CD1-CG2 3.46Å; L19-V31 VanDerWaalsContact CD1-CG2 3.46Å; A23-V31 HydrophobicContact CB-CG2 3.71Å; W24-V31 CarbonylContact O-C 3.6Å; W24-V31 VanDerWaalsContact O-CA 3.26Å; W24-V31 WeakPolarHBondContact O-CA 3.45Å; V25-V31 HydrophobicContact CG2-CG2 3.89Å; V31-F95 HydrophobicContact CB-CZ 4.04Å; V31-F95 HydrophobicContact CG1-CZ 4.35Å
32	F	98	Very high	95.6	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.6	-171.8	-54.4	-86.6	0	0	0	111.5	N11 A23 W24 T26 H30 H36 F41 P49 A50	N11-F32 HydrophobicContact CB-CE1 4.09Å; N11-F32 HydrophobicContact CB-CZ 4.35Å; A23-F32 WeakPolarHBondContact CA-O 3.48Å; W24-F32 HydrophobicContact CB-CB 4.32Å; W24-F32 PolarHBondContact N-O 3.4Å; W24-F32 PolarHBondContact O-N 3.16Å; T26-F32 HydrophobicContact CG2-CD2 4.29Å; T26-F32 HydrophobicContact CG2-CE2 3.84Å; H30-F32 HydrophobicContact CB-CE2 3.56Å; H30-F32 HydrophobicContact CB-CZ 3.66Å; F32-H36 HydrophobicContact CB-CB 4.41Å; F32-F41 AromaticContact CD2-CE2 3.71Å; F32-F41 HydrophobicContact CD2-CE2 3.71Å; F32-F41 AromaticContact CD2-CZ 3.56Å; F32-F41 HydrophobicContact CD2-CZ 3.56Å; F32-F41 HydrophobicContact CE2-CE2 4.29Å; F32-F41 AromaticContact CE2-CZ 3.66Å; F32-F41 HydrophobicContact CE2-CZ 3.66Å; F32-F41 HydrophobicContact CG-CE2 4.3Å; F32-F41 HydrophobicContact CG-CZ 4.32Å; F32-F41 HydrophobicContact CZ-CZ 4.49Å; F32-P49 HydrophobicContact CE1-CB 4.13Å; F32-P49 HydrophobicContact CE1-CG 4.17Å; F32-P49 HydrophobicContact CZ-CG 4.37Å; F32-A50 HydrophobicContact CE1-CB 4.27Å; F32-A50 HydrophobicContact CZ-CB 3.94Å
33	C	97.4	Very high	95	Very high	18 Å²	18	43.5 Å²	43.5	12%	0.122	24%	0.241	C	C	.	.			trans	-69.3	164.1	171.3	69.2	0	0	0	0	110.7	C10 L19 Q35 H36 G37	C10-C33 HydrophobicContact CB-CB 4.38Å; C10-C33 PolarHBondContact SG-N 2.76Å; C10-C33 VanDerWaalsContact SG-N 3.42Å; L19-C33 HydrophobicContact CD2-CB 3.52Å; C33-Q35 VanDerWaalsContact C-N 3.25Å; C33-Q35 PolarHBondContact O-N 3.28Å; C33-H36 PolarHBondContact O-N 3.33Å; C33-H36 PolarHBondContact SG-ND1 3.07Å; C33-G37 PolarHBondContact O-N 3.01Å
34	D	95.6	Very high	94.4	Very high	67 Å²	67	49.4 Å²	49.4	36%	0.358	28%	0.282	S	S	.	.	H	α-helix	trans	-58.8	-36.7	-176.2	-156.8	61.2	0	0	0	112.9	W24 S38 R63	W24-D34 PolarHBondContact NE1-OD1 3.35Å; D34-S38 VanDerWaalsContact O-CB 3.28Å; D34-S38 WeakPolarHBondContact O-CB 3.39Å; D34-S38 PolarHBondContact O-N 2.97Å; D34-S38 PolarHBondContact O-OG 3.27Å; D34-R63 IonicContact OD1-CZ 2.69Å; D34-R63 IonicContact OD1-NE 3.64Å; D34-R63 PolarHBondContact OD1-NE 2.88Å; D34-R63 IonicContact OD1-NH2 3.67Å; D34-R63 PolarHBondContact OD1-NH2 3.1Å
35	Q	95.3	Very high	93.8	Very high	151 Å²	151	51.5 Å²	51.5	71%	0.706	30%	0.302	S	S	*	.	H	α-helix	trans	-59.9	-49.4	176.5	-177.3	-177.6	4.3	0	0	112.6	C33 S38 G39	C33-Q35 VanDerWaalsContact C-N 3.25Å; C33-Q35 PolarHBondContact O-N 3.28Å; Q35-S38 PolarHBondContact O-OG 3.44Å; Q35-G39 PolarHBondContact O-N 2.95Å
36	H	96.3	Very high	93.6	Very high	33 Å²	33	50.7 Å²	50.7	15%	0.153	30%	0.298	C	S	.	.	H	α-helix	trans	-77.5	-38.5	-178.8	-67.3	111.4	0	0	0	111.8	Y12 C15 F32 C33 G39 E40	Y12-H36 AromaticContact CD1-CD2 3.46Å; Y12-H36 VanDerWaalsContact CD1-CD2 3.46Å; Y12-H36 WeakPolarHBondContact CD1-CD2 3.35Å; Y12-H36 AromaticContact CD1-CE1 3.87Å; Y12-H36 AromaticContact CD1-NE2 3.36Å; Y12-H36 WeakPolarHBondContact CD1-NE2 3.38Å; Y12-H36 HydrophobicContact CD2-CB 3.91Å; Y12-H36 AromaticContact CD2-CD2 3.53Å; Y12-H36 AromaticContact CD2-CG 3.73Å; Y12-H36 AromaticContact CE1-CD2 3.7Å; Y12-H36 AromaticContact CE1-NE2 3.67Å; Y12-H36 AromaticContact CE2-CD2 3.76Å; Y12-H36 HydrophobicContact CG-CB 4.12Å; Y12-H36 AromaticContact CG-CD2 3.36Å; Y12-H36 AromaticContact CG-CG 3.52Å; Y12-H36 AromaticContact CG-ND1 3.91Å; Y12-H36 AromaticContact CG-NE2 3.72Å; Y12-H36 AromaticContact CZ-CD2 3.85Å; C15-H36 VanDerWaalsContact CB-CE1 3.45Å; C15-H36 WeakPolarHBondContact CB-CE1 3.43Å; C15-H36 PolarHBondContact SG-CE1 3.27Å; F32-H36 HydrophobicContact CB-CB 4.41Å; C33-H36 PolarHBondContact O-N 3.33Å; C33-H36 PolarHBondContact SG-ND1 3.07Å; H36-G39 PolarHBondContact O-N 3.39Å; H36-E40 WeakPolarHBondContact O-CB 3.49Å; H36-E40 WeakPolarHBondContact O-CG 3.5Å; H36-E40 PolarHBondContact O-N 2.86Å
37	G	95.3	Very high	93.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.6	-50.8	178.6	0	0	0	0	0	112.1	C33 G39 F41	C33-G37 PolarHBondContact O-N 3.01Å; G37-G39 VanDerWaalsContact C-N 3.34Å; G37-G39 PolarHBondContact O-N 3.46Å; G37-F41 VanDerWaalsContact O-CB 3.24Å; G37-F41 WeakPolarHBondContact O-CB 3.46Å; G37-F41 VanDerWaalsContact O-CD2 3.29Å; G37-F41 WeakPolarHBondContact O-CD2 3.47Å; G37-F41 WeakPolarHBondContact O-CG 3.45Å; G37-F41 PolarHBondContact O-N 2.82Å
38	S	93.2	Very high	93.6	Very high	50 Å²	50	51.1 Å²	51.1	35%	0.35	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-36.8	177.6	60.2	0	0	0	0	112.9	D34 Q35 S42	D34-S38 VanDerWaalsContact O-CB 3.28Å; D34-S38 WeakPolarHBondContact O-CB 3.39Å; D34-S38 PolarHBondContact O-N 2.97Å; D34-S38 PolarHBondContact O-OG 3.27Å; Q35-S38 PolarHBondContact O-OG 3.44Å; S38-S42 VanDerWaalsContact O-CB 3.3Å; S38-S42 WeakPolarHBondContact O-CB 3.41Å; S38-S42 PolarHBondContact O-OG 3.15Å
39	G	92.1	Very high	93.5	Very high	34 Å²	34	51.2 Å²	51.2	35%	0.351	30%	0.295	S	S	.	.	H	α-helix	trans	-72.8	-40.2	-179.8	0	0	0	0	0	114.8	Q35 H36 G37 R43	Q35-G39 PolarHBondContact O-N 2.95Å; H36-G39 PolarHBondContact O-N 3.39Å; G37-G39 VanDerWaalsContact C-N 3.34Å; G37-G39 PolarHBondContact O-N 3.46Å; G39-R43 PolarHBondContact O-NE 3.32Å
40	E	92.4	Very high	93.4	Very high	50 Å²	50	51.2 Å²	51.2	23%	0.234	30%	0.297	C	S	.	.	H	α-helix	trans	-90	-40.1	-174.4	-63.9	-57.9	143.3	0	0	112.5	Y12 H36 R43 P49	Y12-E40 HydrophobicContact CE2-CG 3.98Å; H36-E40 WeakPolarHBondContact O-CB 3.49Å; H36-E40 WeakPolarHBondContact O-CG 3.5Å; H36-E40 PolarHBondContact O-N 2.86Å; E40-R43 PolarHBondContact O-N 2.96Å; E40-P49 HydrophobicContact CB-CG 3.85Å; E40-P49 HydrophobicContact CG-CG 3.74Å
41	F	93.4	Very high	93.4	Very high	20 Å²	20	53.1 Å²	53.1	9%	0.088	31%	0.311	C	S	.	.	H	α-helix	trans	-85.8	-6.9	-174.6	-57.1	-42.9	0	0	0	114.5	W24 T26 F32 G37 R43 A46 L55 I61	W24-F41 HydrophobicContact CB-CD2 4.14Å; W24-F41 HydrophobicContact CB-CE2 3.9Å; W24-F41 HydrophobicContact CD2-CD2 4.16Å; W24-F41 HydrophobicContact CE3-CB 4.37Å; W24-F41 AromaticContact CE3-CD2 3.66Å; W24-F41 HydrophobicContact CE3-CD2 3.66Å; W24-F41 HydrophobicContact CE3-CG 4.47Å; W24-F41 HydrophobicContact CG-CD2 4.4Å; W24-F41 HydrophobicContact CZ3-CB 4.24Å; W24-F41 HydrophobicContact CZ3-CD2 4.37Å; T26-F41 HydrophobicContact CG2-CE1 4.11Å; T26-F41 HydrophobicContact CG2-CE2 4.13Å; T26-F41 HydrophobicContact CG2-CZ 3.51Å; F32-F41 AromaticContact CD2-CE2 3.71Å; F32-F41 HydrophobicContact CD2-CE2 3.71Å; F32-F41 AromaticContact CD2-CZ 3.56Å; F32-F41 HydrophobicContact CD2-CZ 3.56Å; F32-F41 HydrophobicContact CE2-CE2 4.29Å; F32-F41 AromaticContact CE2-CZ 3.66Å; F32-F41 HydrophobicContact CE2-CZ 3.66Å; F32-F41 HydrophobicContact CG-CE2 4.3Å; F32-F41 HydrophobicContact CG-CZ 4.32Å; F32-F41 HydrophobicContact CZ-CZ 4.49Å; G37-F41 VanDerWaalsContact O-CB 3.24Å; G37-F41 WeakPolarHBondContact O-CB 3.46Å; G37-F41 VanDerWaalsContact O-CD2 3.29Å; G37-F41 WeakPolarHBondContact O-CD2 3.47Å; G37-F41 WeakPolarHBondContact O-CG 3.45Å; G37-F41 PolarHBondContact O-N 2.82Å; F41-R43 PolarHBondContact O-N 3.38Å; F41-A46 HydrophobicContact CD1-CB 4.46Å; F41-L55 HydrophobicContact CD1-CD1 4.34Å; F41-L55 HydrophobicContact CE1-CD1 3.79Å; F41-L55 HydrophobicContact CZ-CD1 4.48Å; F41-I61 HydrophobicContact CB-CD1 3.94Å; F41-I61 HydrophobicContact CB-CG2 4.14Å; F41-I61 HydrophobicContact CD1-CD1 3.67Å; F41-I61 HydrophobicContact CD1-CG1 4.36Å; F41-I61 HydrophobicContact CD2-CG2 3.71Å; F41-I61 HydrophobicContact CE1-CD1 4.35Å; F41-I61 HydrophobicContact CE2-CG2 4.25Å; F41-I61 HydrophobicContact CG-CD1 3.85Å; F41-I61 HydrophobicContact CG-CG1 4.45Å; F41-I61 HydrophobicContact CG-CG2 3.9Å
42	S	86.7	Confident	93.3	Very high	100 Å²	100	57.7 Å²	57.7	70%	0.699	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.4	168.7	-61.7	0	0	0	0	113	S38	S38-S42 VanDerWaalsContact O-CB 3.3Å; S38-S42 WeakPolarHBondContact O-CB 3.41Å; S38-S42 PolarHBondContact O-OG 3.15Å
43	R	81.6	Confident	93.2	Very high	160 Å²	160	60.6 Å²	60.6	60%	0.604	36%	0.361	S	S	*	.	S	Bend	trans	-90.2	149.1	-178.4	-56.5	179.4	-173.7	-154.3	1.5	110.6	G39 E40 F41 P45 A46	G39-R43 PolarHBondContact O-NE 3.32Å; E40-R43 PolarHBondContact O-N 2.96Å; F41-R43 PolarHBondContact O-N 3.38Å; R43-P45 CarbonylContact O-C 3.38Å; R43-A46 WeakPolarHBondContact O-CA 3.48Å; R43-A46 PolarHBondContact O-N 2.9Å
44	S	84.9	Confident	93.2	Very high	123 Å²	123	63 Å²	63	86%	0.86	38%	0.382	S	S	*	.	S	Bend	trans	-118.2	127.2	174.2	-172.5	0	0	0	0	110.5
45	P	86.6	Confident	93.2	Very high	93 Å²	93	60.3 Å²	60.3	60%	0.604	37%	0.367	S	S	*	.	S	Bend	cis	-70.9	146.2	-4.9	31.1	-34.7	0	0	0	111.7	R43 I47	R43-P45 CarbonylContact O-C 3.38Å; P45-I47 HydrophobicContact CG-CD1 4.45Å
46	A	93.4	Very high	93	Very high	12 Å²	12	58.8 Å²	58.8	10%	0.099	37%	0.374	C	S	.	.			trans	-74.7	129.4	171.2	0	0	0	0	0	109.3	F41 R43 L55 I61	F41-A46 HydrophobicContact CD1-CB 4.46Å; R43-A46 WeakPolarHBondContact O-CA 3.48Å; R43-A46 PolarHBondContact O-N 2.9Å; A46-L55 HydrophobicContact CB-CB 4.31Å; A46-L55 PolarHBondContact O-N 3.47Å; A46-I61 HydrophobicContact CB-CD1 3.57Å
47	I	95.8	Very high	92.8	Very high	79 Å²	79	59 Å²	59	41%	0.405	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-127.3	134.7	-179.5	-61.8	176	0	0	0	107.7	P45 P49	P45-I47 HydrophobicContact CG-CD1 4.45Å; I47-P49 WeakPolarHBondContact O-CD 3.39Å
48	C	97.1	Very high	92.6	Very high	0 Å²	0	69 Å²	69	0%	0	43%	0.428	C	S	.	.			trans	-62.3	119.8	176.1	-178.6	0	0	0	0	110.7	A50 S52 T53 L55	C48-A50 PolarHBondContact O-N 2.93Å; C48-A50 VanDerWaalsContact O-N 3.14Å; C48-S52 VanDerWaalsContact O-CA 3.3Å; C48-S52 WeakPolarHBondContact O-CA 3.39Å; C48-S52 PolarHBondContact O-N 3.45Å; C48-T53 PolarHBondContact N-O 3.03Å; C48-L55 HydrophobicContact CB-CD1 4.07Å; C48-L55 HydrophobicContact CB-CG 4.49Å
49	P	96	Very high	92.6	Very high	32 Å²	32	73.5 Å²	73.5	21%	0.208	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.6	179.8	-23.1	34.2	0	0	0	114.6	Y12 F32 E40 I47	Y12-P49 HydrophobicContact CD2-CB 3.69Å; Y12-P49 HydrophobicContact CD2-CG 4.13Å; Y12-P49 HydrophobicContact CE2-CB 3.82Å; Y12-P49 HydrophobicContact CE2-CG 4.26Å; F32-P49 HydrophobicContact CE1-CB 4.13Å; F32-P49 HydrophobicContact CE1-CG 4.17Å; F32-P49 HydrophobicContact CZ-CG 4.37Å; E40-P49 HydrophobicContact CB-CG 3.85Å; E40-P49 HydrophobicContact CG-CG 3.74Å; I47-P49 WeakPolarHBondContact O-CD 3.39Å
50	A	95.9	Very high	92.7	Very high	41 Å²	41	73.6 Å²	73.6	34%	0.339	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-36.4	-177.1	0	0	0	0	0	113.4	N11 H30 F32 C48	N11-A50 HydrophobicContact CB-CB 4.21Å; H30-A50 HydrophobicContact CB-CB 4.25Å; H30-A50 WeakPolarHBondContact CD2-CB 3.48Å; F32-A50 HydrophobicContact CE1-CB 4.27Å; F32-A50 HydrophobicContact CZ-CB 3.94Å; C48-A50 PolarHBondContact O-N 2.93Å; C48-A50 VanDerWaalsContact O-N 3.14Å
51	C	96.3	Very high	92.9	Very high	51 Å²	51	73 Å²	73	35%	0.345	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	4.3	-173	68.4	0	0	0	0	114.7	C28 H30 T53	C28-C51 PolarHBondContact SG-SG 2.95Å; H30-C51 PolarHBondContact CE1-SG 3.49Å; C51-T53 PolarHBondContact O-N 3.24Å; C51-T53 PolarHBondContact SG-OG1 2.95Å
52	S	96.3	Very high	93	Very high	97 Å²	97	75.2 Å²	75.2	68%	0.678	45%	0.453	S	S	*	.			trans	61.6	12.8	178.1	-52	0	0	0	0	115.7	C48 A54	C48-S52 VanDerWaalsContact O-CA 3.3Å; C48-S52 WeakPolarHBondContact O-CA 3.39Å; C48-S52 PolarHBondContact O-N 3.45Å; S52-A54 PolarHBondContact O-N 2.98Å
53	T	96.8	Very high	93.5	Very high	62 Å²	62	75.7 Å²	75.7	38%	0.38	44%	0.439	S	S	.	.			trans	-64.6	131	172.6	-56	0	0	0	0	110	C28 C48 C51 L55	C28-T53 HydrophobicContact CB-CG2 4.42Å; C48-T53 PolarHBondContact N-O 3.03Å; C51-T53 PolarHBondContact O-N 3.24Å; C51-T53 PolarHBondContact SG-OG1 2.95Å; T53-L55 HydrophobicContact CG2-CD2 4.44Å
54	A	95.8	Very high	94.1	Very high	67 Å²	67	70.6 Å²	70.6	55%	0.554	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-71.3	133.3	171.8	0	0	0	0	0	110.3	S52	S52-A54 PolarHBondContact O-N 2.98Å
55	L	95.9	Very high	94.6	Very high	11 Å²	11	69 Å²	69	6%	0.058	41%	0.405	C	S	.	.			trans	-116.8	89.2	-174	-59.8	174	0	0	0	108.6	T26 F41 A46 C48 T53 D60 I61	T26-L55 HydrophobicContact CG2-CD1 3.63Å; F41-L55 HydrophobicContact CD1-CD1 4.34Å; F41-L55 HydrophobicContact CE1-CD1 3.79Å; F41-L55 HydrophobicContact CZ-CD1 4.48Å; A46-L55 HydrophobicContact CB-CB 4.31Å; A46-L55 PolarHBondContact O-N 3.47Å; C48-L55 HydrophobicContact CB-CD1 4.07Å; C48-L55 HydrophobicContact CB-CG 4.49Å; T53-L55 HydrophobicContact CG2-CD2 4.44Å; L55-D60 WeakPolarHBondContact CA-OD2 3.45Å; L55-D60 HydrophobicContact CB-CB 3.9Å; L55-D60 HydrophobicContact CD2-CB 4.06Å; L55-I61 HydrophobicContact CB-CD1 3.81Å; L55-I61 HydrophobicContact CB-CG1 3.93Å; L55-I61 HydrophobicContact CD1-CD1 3.87Å; L55-I61 HydrophobicContact CD1-CG1 3.68Å; L55-I61 HydrophobicContact CG-CG1 4.37Å
56	S	92.3	Very high	95	Very high	120 Å²	120	67.3 Å²	67.3	84%	0.839	39%	0.39	S	S	*	.			trans	-114.1	-12.7	-173.5	60.1	0	0	0	0	113.6	D60	S56-D60 PolarHBondContact N-OD2 3.4Å
57	G	92.1	Very high	94.9	Very high	37 Å²	37	70.8 Å²	70.8	38%	0.381	41%	0.414	S	S	.	.	S	Bend	trans	-73.2	148.5	175.2	0	0	0	0	0	112.6	L59 D60	G57-L59 PolarHBondContact O-N 3.26Å; G57-L59 VanDerWaalsContact O-N 3.12Å; G57-D60 WeakPolarHBondContact CA-OD2 3.39Å; G57-D60 PolarHBondContact N-OD2 3.31Å; G57-D60 WeakPolarHBondContact O-CB 3.3Å; G57-D60 PolarHBondContact O-N 2.95Å
58	K	89.6	Confident	94.8	Very high	211 Å²	211	68.2 Å²	68.2	92%	0.917	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.1	-179.4	-66.4	-175.8	-179.9	-179	0	114.2
59	L	93.5	Very high	94.8	Very high	144 Å²	144	71.4 Å²	71.4	75%	0.754	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	12.5	180	-61.6	176.7	0	0	0	112	G57 I61	G57-L59 PolarHBondContact O-N 3.26Å; G57-L59 VanDerWaalsContact O-N 3.12Å; L59-I61 PolarHBondContact O-N 3.49Å
60	D	95.1	Very high	94.8	Very high	35 Å²	35	75.9 Å²	75.9	19%	0.187	44%	0.442	C	S	.	.	S	Bend	trans	-70.6	-19.5	179	-82.8	-12.9	0	0	0	112.8	T26 S27 L55 S56 G57	T26-D60 CarbonylContact C-O 3.43Å; T26-D60 WeakPolarHBondContact CA-O 3.44Å; S27-D60 WeakPolarHBondContact CB-OD1 3.43Å; S27-D60 PolarHBondContact N-O 3.34Å; S27-D60 VanDerWaalsContact OG-CG 3.24Å; S27-D60 PolarHBondContact OG-OD1 3.32Å; L55-D60 WeakPolarHBondContact CA-OD2 3.45Å; L55-D60 HydrophobicContact CB-CB 3.9Å; L55-D60 HydrophobicContact CD2-CB 4.06Å; S56-D60 PolarHBondContact N-OD2 3.4Å; G57-D60 WeakPolarHBondContact CA-OD2 3.39Å; G57-D60 PolarHBondContact N-OD2 3.31Å; G57-D60 WeakPolarHBondContact O-CB 3.3Å; G57-D60 PolarHBondContact O-N 2.95Å
61	I	96.6	Very high	94.8	Very high	39 Å²	39	80.4 Å²	80.4	20%	0.2	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121.7	-179.5	-56	168	0	0	0	107.5	W24 V25 F41 A46 L55 L59	W24-I61 HydrophobicContact CE3-CG2 3.59Å; W24-I61 HydrophobicContact CZ3-CG2 3.94Å; V25-I61 WeakPolarHBondContact O-CA 3.47Å; F41-I61 HydrophobicContact CB-CD1 3.94Å; F41-I61 HydrophobicContact CB-CG2 4.14Å; F41-I61 HydrophobicContact CD1-CD1 3.67Å; F41-I61 HydrophobicContact CD1-CG1 4.36Å; F41-I61 HydrophobicContact CD2-CG2 3.71Å; F41-I61 HydrophobicContact CE1-CD1 4.35Å; F41-I61 HydrophobicContact CE2-CG2 4.25Å; F41-I61 HydrophobicContact CG-CD1 3.85Å; F41-I61 HydrophobicContact CG-CG1 4.45Å; F41-I61 HydrophobicContact CG-CG2 3.9Å; A46-I61 HydrophobicContact CB-CD1 3.57Å; L55-I61 HydrophobicContact CB-CD1 3.81Å; L55-I61 HydrophobicContact CB-CG1 3.93Å; L55-I61 HydrophobicContact CD1-CD1 3.87Å; L55-I61 HydrophobicContact CD1-CG1 3.68Å; L55-I61 HydrophobicContact CG-CG1 4.37Å; L59-I61 PolarHBondContact O-N 3.49Å
62	V	96.1	Very high	94.8	Very high	65 Å²	65	84.2 Å²	84.2	39%	0.394	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129	178.8	-178.6	0	0	0	0	109.1	W24 V25	W24-V62 CarbonylContact C-O 3.58Å; W24-V62 WeakPolarHBondContact CA-O 3.35Å; V25-V62 PolarHBondContact N-O 3.26Å; V25-V62 PolarHBondContact O-N 3.02Å
63	R	96.2	Very high	94.7	Very high	110 Å²	110	84.3 Å²	84.3	42%	0.415	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.2	166.1	-171.7	177.2	-177.8	-89.1	3.5	108.3	F22 A23 W24 D34	F22-R63 HydrophobicContact CD1-CG 4.41Å; F22-R63 VanDerWaalsContact CG-CZ 3.45Å; F22-R63 VanDerWaalsContact CG-NH1 3.28Å; A23-R63 CarbonylContact O-C 3.57Å; A23-R63 WeakPolarHBondContact O-CA 3.45Å; W24-R63 HydrophobicContact CD2-CB 4.16Å; W24-R63 HydrophobicContact CD2-CG 4.36Å; W24-R63 HydrophobicContact CE3-CB 4.36Å; W24-R63 HydrophobicContact CZ2-CB 4.44Å; W24-R63 HydrophobicContact CZ2-CG 4.45Å; D34-R63 IonicContact OD1-CZ 2.69Å; D34-R63 IonicContact OD1-NE 3.64Å; D34-R63 PolarHBondContact OD1-NE 2.88Å; D34-R63 IonicContact OD1-NH2 3.67Å; D34-R63 PolarHBondContact OD1-NH2 3.1Å
64	T	94.8	Very high	94.6	Very high	54 Å²	54	84.8 Å²	84.8	33%	0.331	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.5	-174.6	-163.2	0	0	0	0	111.4	F22 A23 V25 L66	F22-T64 WeakPolarHBondContact CA-O 3.37Å; A23-T64 PolarHBondContact N-O 3.37Å; A23-T64 PolarHBondContact O-N 2.89Å; V25-T64 HydrophobicContact CG2-CG2 3.67Å; T64-L66 HydrophobicContact CG2-CD2 4.15Å
65	E	95.3	Very high	94.7	Very high	89 Å²	89	88 Å²	88	42%	0.416	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.9	170	-171.1	170.2	-148.9	0	0	108.8	G21 F22 S67	G21-E65 CarbonylContact O-C 3.57Å; G21-E65 WeakPolarHBondContact O-CA 3.44Å; F22-E65 HydrophobicContact CD1-CB 4.04Å; F22-E65 HydrophobicContact CE1-CB 3.7Å; F22-E65 HydrophobicContact CE1-CG 4.24Å; F22-E65 HydrophobicContact CZ-CB 4.22Å; F22-E65 HydrophobicContact CZ-CG 4.29Å; E65-S67 VanDerWaalsContact C-N 3.29Å; E65-S67 PolarHBondContact O-N 3.08Å
66	L	93.8	Very high	94.7	Very high	57 Å²	57	90.8 Å²	90.8	30%	0.298	49%	0.486	S	S	.	.	S	Bend	trans	-76.3	-18	-177.3	-63.2	-177.6	0	0	0	113.1	L8 L19 G21 A23 T64	L8-L66 HydrophobicContact CD1-CD1 4.48Å; L8-L66 HydrophobicContact CD1-CD2 3.84Å; L19-L66 HydrophobicContact CB-CD1 3.63Å; G21-L66 WeakPolarHBondContact O-CB 3.4Å; G21-L66 PolarHBondContact O-N 3.47Å; A23-L66 HydrophobicContact CB-CD1 3.87Å; A23-L66 HydrophobicContact CB-CD2 4Å; A23-L66 HydrophobicContact CB-CG 3.98Å; T64-L66 HydrophobicContact CG2-CD2 4.15Å
67	S	92.4	Very high	94.9	Very high	86 Å²	86	87.7 Å²	87.7	60%	0.601	46%	0.459	S	S	*	.	S	Bend	trans	-138.9	71.1	178.6	-179.2	0	0	0	0	110.3	E65	E65-S67 VanDerWaalsContact C-N 3.29Å; E65-S67 PolarHBondContact O-N 3.08Å
68	P	94.3	Very high	95.1	Very high	25 Å²	25	88.9 Å²	88.9	16%	0.162	47%	0.466	C	S	.	.			trans	-69.8	164.2	-179.5	31.2	-35.9	0	0	0	111.8	Y72 K73	P68-Y72 HydrophobicContact CB-CD1 3.62Å; P68-Y72 HydrophobicContact CB-CE1 4.32Å; P68-Y72 HydrophobicContact CB-CG 4.14Å; P68-Y72 HydrophobicContact CG-CD1 3.96Å; P68-Y72 HydrophobicContact CG-CE1 4.48Å; P68-K73 HydrophobicContact CG-CG 4.15Å; P68-K73 VanDerWaalsContact O-CE 3.23Å; P68-K73 WeakPolarHBondContact O-CE 3.4Å
69	C	95.6	Very high	95.5	Very high	67 Å²	67	83 Å²	83	45%	0.453	47%	0.465	S	S	.	.			trans	-67.3	160.9	177.2	73.4	0	0	0	0	113	E71 Y72 K73	C69-E71 VanDerWaalsContact C-N 3.28Å; C69-E71 WeakPolarHBondContact CB-OE2 3.26Å; C69-E71 PolarHBondContact O-N 3.34Å; C69-E71 PolarHBondContact SG-OE2 3.44Å; C69-Y72 PolarHBondContact O-N 3.37Å; C69-Y72 PolarHBondContact SG-N 3.01Å; C69-Y72 VanDerWaalsContact SG-N 3.39Å; C69-K73 PolarHBondContact O-N 3.25Å; C69-K73 VanDerWaalsContact O-N 3.16Å
70	E	96	Very high	95.7	Very high	125 Å²	125	79.9 Å²	79.9	58%	0.584	45%	0.449	S	S	*	.	H	α-helix	trans	-63.3	-34.4	-179.2	-66.6	-54.7	122.2	0	0	112.2	Y72 K73 A74	E70-Y72 VanDerWaalsContact C-N 3.33Å; E70-Y72 PolarHBondContact O-N 3.34Å; E70-K73 PolarHBondContact O-N 2.89Å; E70-K73 IonicContact OE1-NZ 3.54Å; E70-K73 PolarHBondContact OE1-NZ 2.93Å; E70-A74 PolarHBondContact O-N 2.99Å
71	E	97.1	Very high	95.9	Very high	137 Å²	137	85.6 Å²	85.6	64%	0.64	47%	0.467	S	S	*	.	H	α-helix	trans	-63.2	-40.5	176.8	-59	74.8	-162.8	0	0	111.4	C69 A74 M75	C69-E71 VanDerWaalsContact C-N 3.28Å; C69-E71 WeakPolarHBondContact CB-OE2 3.26Å; C69-E71 PolarHBondContact O-N 3.34Å; C69-E71 PolarHBondContact SG-OE2 3.44Å; E71-A74 PolarHBondContact O-N 2.93Å; E71-M75 WeakPolarHBondContact O-CB 3.35Å; E71-M75 VanDerWaalsContact O-CG 3.29Å; E71-M75 WeakPolarHBondContact O-CG 3.29Å; E71-M75 PolarHBondContact O-N 2.99Å; E71-M75 VanDerWaalsContact O-N 3.17Å
72	Y	96.3	Very high	96	Very high	131 Å²	131	88.6 Å²	88.6	51%	0.514	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-45.2	176.3	-179.1	-91.1	0	0	0	111.2	P68 C69 E70 A74 M75 V76	P68-Y72 HydrophobicContact CB-CD1 3.62Å; P68-Y72 HydrophobicContact CB-CE1 4.32Å; P68-Y72 HydrophobicContact CB-CG 4.14Å; P68-Y72 HydrophobicContact CG-CD1 3.96Å; P68-Y72 HydrophobicContact CG-CE1 4.48Å; C69-Y72 PolarHBondContact O-N 3.37Å; C69-Y72 PolarHBondContact SG-N 3.01Å; C69-Y72 VanDerWaalsContact SG-N 3.39Å; E70-Y72 VanDerWaalsContact C-N 3.33Å; E70-Y72 PolarHBondContact O-N 3.34Å; Y72-A74 VanDerWaalsContact C-N 3.27Å; Y72-A74 PolarHBondContact O-N 3.31Å; Y72-M75 PolarHBondContact O-N 3.32Å; Y72-M75 VanDerWaalsContact O-N 3.15Å; Y72-V76 HydrophobicContact CD1-CB 4.33Å; Y72-V76 HydrophobicContact CE1-CB 3.94Å; Y72-V76 HydrophobicContact CE1-CG1 4.28Å; Y72-V76 HydrophobicContact CE1-CG2 3.9Å; Y72-V76 WeakPolarHBondContact O-CB 3.48Å; Y72-V76 PolarHBondContact O-N 3.28Å
73	K	94.2	Very high	96.1	Very high	99 Å²	99	89.3 Å²	89.3	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-58.4	-39.5	177.9	-66.8	174.9	-169	166	0	112	P68 C69 E70	P68-K73 HydrophobicContact CG-CG 4.15Å; P68-K73 VanDerWaalsContact O-CE 3.23Å; P68-K73 WeakPolarHBondContact O-CE 3.4Å; C69-K73 PolarHBondContact O-N 3.25Å; C69-K73 VanDerWaalsContact O-N 3.16Å; E70-K73 PolarHBondContact O-N 2.89Å; E70-K73 IonicContact OE1-NZ 3.54Å; E70-K73 PolarHBondContact OE1-NZ 2.93Å
74	A	93.9	Very high	96.2	Very high	72 Å²	72	87.1 Å²	87.1	60%	0.595	49%	0.487	S	S	*	.	H	α-helix	trans	-69	-34.6	178	0	0	0	0	0	113	E70 E71 Y72	E70-A74 PolarHBondContact O-N 2.99Å; E71-A74 PolarHBondContact O-N 2.93Å; Y72-A74 VanDerWaalsContact C-N 3.27Å; Y72-A74 PolarHBondContact O-N 3.31Å
75	M	97.3	Very high	96.4	Very high	133 Å²	133	86.5 Å²	86.5	66%	0.655	48%	0.483	S	S	*	.	H	α-helix	trans	-92.9	-29.4	-171.8	-68.6	-57.8	-59.4	0	0	114.3	E71 Y72 L77 A78	E71-M75 WeakPolarHBondContact O-CB 3.35Å; E71-M75 VanDerWaalsContact O-CG 3.29Å; E71-M75 WeakPolarHBondContact O-CG 3.29Å; E71-M75 PolarHBondContact O-N 2.99Å; E71-M75 VanDerWaalsContact O-N 3.17Å; Y72-M75 PolarHBondContact O-N 3.32Å; Y72-M75 VanDerWaalsContact O-N 3.15Å; M75-L77 PolarHBondContact O-N 3.43Å; M75-L77 VanDerWaalsContact O-N 3.09Å; M75-A78 WeakPolarHBondContact O-CB 3.25Å; M75-A78 PolarHBondContact O-N 3.32Å
76	V	96	Very high	96.5	Very high	71 Å²	71	88.2 Å²	88.2	43%	0.43	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.2	-168.9	67.4	0	0	0	0	114.4	Y72	Y72-V76 HydrophobicContact CD1-CB 4.33Å; Y72-V76 HydrophobicContact CE1-CB 3.94Å; Y72-V76 HydrophobicContact CE1-CG1 4.28Å; Y72-V76 HydrophobicContact CE1-CG2 3.9Å; Y72-V76 WeakPolarHBondContact O-CB 3.48Å; Y72-V76 PolarHBondContact O-N 3.28Å
77	L	96.8	Very high	96.7	Very high	55 Å²	55	88.8 Å²	88.8	29%	0.288	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	1.8	177.4	-56.6	-179.4	0	0	0	113.7	M75 G79 L80 V85 I88	M75-L77 PolarHBondContact O-N 3.43Å; M75-L77 VanDerWaalsContact O-N 3.09Å; L77-G79 PolarHBondContact O-N 3.37Å; L77-L80 HydrophobicContact CB-CD1 4.41Å; L77-L80 HydrophobicContact CD2-CD1 3.94Å; L77-L80 WeakPolarHBondContact O-CB 3.49Å; L77-L80 PolarHBondContact O-N 3.45Å; L77-V85 HydrophobicContact CB-CG2 4.37Å; L77-V85 HydrophobicContact CD1-CG1 4.15Å; L77-I88 HydrophobicContact CD2-CD1 3.87Å; L77-I88 HydrophobicContact CD2-CG2 4.19Å
78	A	97.1	Very high	97	Very high	62 Å²	62	88 Å²	88	51%	0.512	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	134.5	-176.4	0	0	0	0	0	111.3	M75 L80	M75-A78 WeakPolarHBondContact O-CB 3.25Å; M75-A78 PolarHBondContact O-N 3.32Å; A78-L80 VanDerWaalsContact C-N 3.31Å; A78-L80 PolarHBondContact O-N 2.99Å
79	G	97.7	Very high	97.1	Very high	88 Å²	88	89.2 Å²	89.2	91%	0.907	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-4.1	-178.6	0	0	0	0	0	115.1	L77	L77-G79 PolarHBondContact O-N 3.37Å
80	L	98.2	Very high	97.3	Very high	78 Å²	78	89.4 Å²	89.4	41%	0.408	50%	0.497	S	S	.	.			trans	-79.6	148.9	172.6	-58.7	-177.1	0	0	0	111.4	L77 A78 I84 V85 I88	L77-L80 HydrophobicContact CB-CD1 4.41Å; L77-L80 HydrophobicContact CD2-CD1 3.94Å; L77-L80 WeakPolarHBondContact O-CB 3.49Å; L77-L80 PolarHBondContact O-N 3.45Å; A78-L80 VanDerWaalsContact C-N 3.31Å; A78-L80 PolarHBondContact O-N 2.99Å; L80-I84 HydrophobicContact CB-CG2 4.47Å; L80-I84 HydrophobicContact CD1-CG2 4.14Å; L80-V85 HydrophobicContact CB-CG2 3.91Å; L80-I88 HydrophobicContact CD1-CD1 3.78Å
81	R	98.5	Very high	97.4	Very high	154 Å²	154	91.3 Å²	91.3	58%	0.581	50%	0.499	S	S	*	.			trans	-69	150.2	173.1	-61.7	-175.2	-55.8	153.7	11.9	110.6	D83 I84 V85	R81-D83 VanDerWaalsContact C-N 3.25Å; R81-D83 WeakPolarHBondContact CB-OD1 3.29Å; R81-D83 IonicContact CZ-OD1 3.41Å; R81-D83 IonicContact CZ-OD2 2.84Å; R81-D83 VanDerWaalsContact CZ-OD2 3.31Å; R81-D83 IonicContact NE-OD1 3.54Å; R81-D83 PolarHBondContact NE-OD1 2.98Å; R81-D83 IonicContact NE-OD2 2.79Å; R81-D83 IonicContact NH1-OD2 2.75Å; R81-D83 IonicContact NH2-OD1 2.91Å; R81-D83 PolarHBondContact NH2-OD1 2.85Å; R81-D83 IonicContact NH2-OD2 3.22Å; R81-D83 PolarHBondContact NH2-OD2 3.08Å; R81-D83 PolarHBondContact O-N 2.66Å; R81-D83 VanDerWaalsContact O-N 3.17Å; R81-I84 HydrophobicContact CB-CG1 4.45Å; R81-I84 PolarHBondContact O-N 2.85Å; R81-V85 PolarHBondContact O-N 3.45Å; R81-V85 VanDerWaalsContact O-N 3.11Å
82	P	98.2	Very high	97.3	Very high	103 Å²	103	87.2 Å²	87.2	67%	0.669	49%	0.489	S	S	*	.	H	α-helix	trans	-54.7	-35.8	-179	-28.6	35.8	0	0	0	114.7	I84 V85 L86	P82-I84 PolarHBondContact O-N 3.08Å; P82-V85 PolarHBondContact O-N 3.45Å; P82-L86 VanDerWaalsContact O-CG 3.32Å; P82-L86 WeakPolarHBondContact O-CG 3.43Å; P82-L86 PolarHBondContact O-N 3.46Å
83	D	98.3	Very high	97.3	Very high	80 Å²	80	86.6 Å²	86.6	43%	0.428	49%	0.494	S	S	.	.	H	α-helix	trans	-65.1	-38.7	178.3	62.4	-50.9	0	0	0	112.4	R81 D87	R81-D83 VanDerWaalsContact C-N 3.25Å; R81-D83 WeakPolarHBondContact CB-OD1 3.29Å; R81-D83 IonicContact CZ-OD1 3.41Å; R81-D83 IonicContact CZ-OD2 2.84Å; R81-D83 VanDerWaalsContact CZ-OD2 3.31Å; R81-D83 IonicContact NE-OD1 3.54Å; R81-D83 PolarHBondContact NE-OD1 2.98Å; R81-D83 IonicContact NE-OD2 2.79Å; R81-D83 IonicContact NH1-OD2 2.75Å; R81-D83 IonicContact NH2-OD1 2.91Å; R81-D83 PolarHBondContact NH2-OD1 2.85Å; R81-D83 IonicContact NH2-OD2 3.22Å; R81-D83 PolarHBondContact NH2-OD2 3.08Å; R81-D83 PolarHBondContact O-N 2.66Å; R81-D83 VanDerWaalsContact O-N 3.17Å; D83-D87 PolarHBondContact O-N 3.38Å
84	I	98.4	Very high	97.5	Very high	64 Å²	64	84.6 Å²	84.6	33%	0.328	50%	0.496	S	S	.	.	H	α-helix	trans	-69.4	-41.3	176	-57.9	-60	0	0	0	110.8	L80 R81 P82 L86 D87 I88	L80-I84 HydrophobicContact CB-CG2 4.47Å; L80-I84 HydrophobicContact CD1-CG2 4.14Å; R81-I84 HydrophobicContact CB-CG1 4.45Å; R81-I84 PolarHBondContact O-N 2.85Å; P82-I84 PolarHBondContact O-N 3.08Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 2.95Å; I84-D87 PolarHBondContact O-N 3.21Å; I84-I88 HydrophobicContact CG2-CD1 3.88Å; I84-I88 HydrophobicContact CG2-CG1 4.44Å; I84-I88 VanDerWaalsContact O-CG1 3.31Å; I84-I88 WeakPolarHBondContact O-CG1 3.35Å; I84-I88 PolarHBondContact O-N 3.34Å
85	V	98.3	Very high	97.7	Very high	40 Å²	40	82.6 Å²	82.6	24%	0.242	47%	0.474	C	S	.	.	H	α-helix	trans	-58.1	-48.2	176.1	170.8	0	0	0	0	110.5	L77 L80 R81 P82 D87 I88 S89	L77-V85 HydrophobicContact CB-CG2 4.37Å; L77-V85 HydrophobicContact CD1-CG1 4.15Å; L80-V85 HydrophobicContact CB-CG2 3.91Å; R81-V85 PolarHBondContact O-N 3.45Å; R81-V85 VanDerWaalsContact O-N 3.11Å; P82-V85 PolarHBondContact O-N 3.45Å; V85-D87 PolarHBondContact O-N 3.23Å; V85-I88 PolarHBondContact O-N 3.02Å; V85-S89 PolarHBondContact O-N 3.39Å; V85-S89 PolarHBondContact O-OG 3.21Å; V85-S89 VanDerWaalsContact O-OG 3.12Å
86	L	98.3	Very high	97.6	Very high	125 Å²	125	81 Å²	81	65%	0.654	46%	0.461	S	S	*	.	H	α-helix	trans	-64.8	-38.5	179	-69	173.2	0	0	0	112.6	P82 I84 S89 S90	P82-L86 VanDerWaalsContact O-CG 3.32Å; P82-L86 WeakPolarHBondContact O-CG 3.43Å; P82-L86 PolarHBondContact O-N 3.46Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-L86 PolarHBondContact O-N 2.95Å; L86-S89 PolarHBondContact O-N 2.98Å; L86-S90 VanDerWaalsContact O-CB 3.28Å; L86-S90 WeakPolarHBondContact O-CB 3.38Å; L86-S90 PolarHBondContact O-N 2.89Å
87	D	98.4	Very high	97.6	Very high	70 Å²	70	81.3 Å²	81.3	37%	0.374	47%	0.466	S	S	.	.	H	α-helix	trans	-62.4	-46	174.6	-175	46.8	0	0	0	111.6	D83 I84 V85 S89 S90 R91	D83-D87 PolarHBondContact O-N 3.38Å; I84-D87 PolarHBondContact O-N 3.21Å; V85-D87 PolarHBondContact O-N 3.23Å; D87-S89 PolarHBondContact O-N 3.49Å; D87-S90 PolarHBondContact O-N 3.28Å; D87-R91 VanDerWaalsContact CG-NE 3.34Å; D87-R91 WeakPolarHBondContact O-CG 3.38Å; D87-R91 PolarHBondContact O-N 3.06Å; D87-R91 IonicContact OD1-CZ 3.87Å; D87-R91 IonicContact OD1-NE 3.97Å; D87-R91 PolarHBondContact OD1-NE 3.39Å; D87-R91 VanDerWaalsContact OD1-NE 3.16Å; D87-R91 IonicContact OD1-NH2 2.65Å; D87-R91 IonicContact OD2-CZ 3.16Å; D87-R91 IonicContact OD2-NE 3.31Å; D87-R91 PolarHBondContact OD2-NE 3.06Å; D87-R91 IonicContact OD2-NH2 3.8Å; D87-R91 PolarHBondContact OD2-NH2 3.22Å
88	I	97.8	Very high	97.6	Very high	69 Å²	69	82.1 Å²	82.1	35%	0.354	47%	0.466	S	S	.	.	H	α-helix	trans	-60.6	-48.2	177.1	-67.3	166.8	0	0	0	110.7	L77 L80 I84 V85 S90 R91 A92	L77-I88 HydrophobicContact CD2-CD1 3.87Å; L77-I88 HydrophobicContact CD2-CG2 4.19Å; L80-I88 HydrophobicContact CD1-CD1 3.78Å; I84-I88 HydrophobicContact CG2-CD1 3.88Å; I84-I88 HydrophobicContact CG2-CG1 4.44Å; I84-I88 VanDerWaalsContact O-CG1 3.31Å; I84-I88 WeakPolarHBondContact O-CG1 3.35Å; I84-I88 PolarHBondContact O-N 3.34Å; V85-I88 PolarHBondContact O-N 3.02Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 2.96Å; I88-R91 PolarHBondContact O-N 3.42Å; I88-A92 PolarHBondContact O-N 2.91Å
89	S	97.9	Very high	97.5	Very high	50 Å²	50	79.8 Å²	79.8	35%	0.35	44%	0.444	S	S	.	.	H	α-helix	trans	-60.2	-43.6	177.5	-61.9	0	0	0	0	112	V85 L86 D87 R91 A92 L93	V85-S89 PolarHBondContact O-N 3.39Å; V85-S89 PolarHBondContact O-OG 3.21Å; V85-S89 VanDerWaalsContact O-OG 3.12Å; L86-S89 PolarHBondContact O-N 2.98Å; D87-S89 PolarHBondContact O-N 3.49Å; S89-R91 PolarHBondContact O-N 3Å; S89-A92 PolarHBondContact O-N 2.9Å; S89-L93 WeakPolarHBondContact O-CG 3.3Å; S89-L93 PolarHBondContact O-N 3.42Å
90	S	98.3	Very high	97.4	Very high	71 Å²	71	79.2 Å²	79.2	50%	0.497	42%	0.423	S	S	.	.	H	α-helix	trans	-58.9	-46.1	177.3	-176.6	0	0	0	0	111.8	L86 D87 I88 A92 L93 A94	L86-S90 VanDerWaalsContact O-CB 3.28Å; L86-S90 WeakPolarHBondContact O-CB 3.38Å; L86-S90 PolarHBondContact O-N 2.89Å; D87-S90 PolarHBondContact O-N 3.28Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 2.96Å; S90-A92 PolarHBondContact O-N 2.8Å; S90-L93 PolarHBondContact O-N 3.21Å; S90-A94 WeakPolarHBondContact O-CB 3.38Å; S90-A94 PolarHBondContact O-N 3.38Å
91	R	97.6	Very high	97.2	Very high	165 Å²	165	80 Å²	80	62%	0.623	42%	0.424	S	S	*	.	H	α-helix	trans	-64.6	-40	177.3	-68.2	171.6	-170.3	-107.8	4.4	112.6	D87 I88 S89 A94 F95	D87-R91 VanDerWaalsContact CG-NE 3.34Å; D87-R91 WeakPolarHBondContact O-CG 3.38Å; D87-R91 PolarHBondContact O-N 3.06Å; D87-R91 IonicContact OD1-CZ 3.87Å; D87-R91 IonicContact OD1-NE 3.97Å; D87-R91 PolarHBondContact OD1-NE 3.39Å; D87-R91 VanDerWaalsContact OD1-NE 3.16Å; D87-R91 IonicContact OD1-NH2 2.65Å; D87-R91 IonicContact OD2-CZ 3.16Å; D87-R91 IonicContact OD2-NE 3.31Å; D87-R91 PolarHBondContact OD2-NE 3.06Å; D87-R91 IonicContact OD2-NH2 3.8Å; D87-R91 PolarHBondContact OD2-NH2 3.22Å; I88-R91 PolarHBondContact O-N 3.42Å; S89-R91 PolarHBondContact O-N 3Å; R91-A94 PolarHBondContact O-N 2.95Å; R91-F95 PolarHBondContact O-N 2.98Å
92	A	96.3	Very high	96.9	Very high	52 Å²	52	76.3 Å²	76.3	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-41.6	176	0	0	0	0	0	111.9	I88 S89 S90 F95 W96	I88-A92 PolarHBondContact O-N 2.91Å; S89-A92 PolarHBondContact O-N 2.9Å; S90-A92 PolarHBondContact O-N 2.8Å; A92-F95 WeakPolarHBondContact O-CB 3.23Å; A92-F95 PolarHBondContact O-N 3.36Å; A92-W96 PolarHBondContact O-N 2.9Å; A92-W96 VanDerWaalsContact O-N 3.15Å
93	L	96.7	Very high	96.6	Very high	117 Å²	117	73.2 Å²	73.2	61%	0.613	39%	0.39	S	S	*	.	H	α-helix	trans	-67.2	-38.1	175	-69.3	173.4	0	0	0	112.2	S89 S90 F95 W96 S97	S89-L93 WeakPolarHBondContact O-CG 3.3Å; S89-L93 PolarHBondContact O-N 3.42Å; S90-L93 PolarHBondContact O-N 3.21Å; L93-F95 VanDerWaalsContact C-N 3.33Å; L93-W96 PolarHBondContact O-N 3.29Å; L93-S97 WeakPolarHBondContact O-CB 3.46Å; L93-S97 PolarHBondContact O-N 3.23Å; L93-S97 PolarHBondContact O-OG 3.3Å
94	A	97.8	Very high	96.3	Very high	57 Å²	57	76.5 Å²	76.5	47%	0.471	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-40.6	174.8	0	0	0	0	0	111.6	S90 R91 S97 Y98	S90-A94 WeakPolarHBondContact O-CB 3.38Å; S90-A94 PolarHBondContact O-N 3.38Å; R91-A94 PolarHBondContact O-N 2.95Å; A94-S97 PolarHBondContact O-N 3.48Å; A94-Y98 WeakPolarHBondContact O-CB 3.43Å; A94-Y98 PolarHBondContact O-N 3.48Å
95	F	97.3	Very high	96.1	Very high	30 Å²	30	76.9 Å²	76.9	13%	0.132	40%	0.398	C	S	.	.	H	α-helix	trans	-58.7	-49.8	173.2	170.5	-92	0	0	0	111.7	L8 V25 V31 R91 A92 L93 S97 Y98 Q99	L8-F95 HydrophobicContact CD1-CE1 4.06Å; L8-F95 HydrophobicContact CD1-CZ 4.49Å; L8-F95 HydrophobicContact CD2-CE1 4.09Å; V25-F95 HydrophobicContact CG1-CD2 4.38Å; V25-F95 HydrophobicContact CG1-CE2 3.7Å; V25-F95 HydrophobicContact CG1-CZ 4.09Å; V31-F95 HydrophobicContact CB-CZ 4.04Å; V31-F95 HydrophobicContact CG1-CZ 4.35Å; R91-F95 PolarHBondContact O-N 2.98Å; A92-F95 WeakPolarHBondContact O-CB 3.23Å; A92-F95 PolarHBondContact O-N 3.36Å; L93-F95 VanDerWaalsContact C-N 3.33Å; F95-S97 PolarHBondContact O-N 2.99Å; F95-Y98 WeakPolarHBondContact O-CB 3.42Å; F95-Y98 PolarHBondContact O-N 2.91Å; F95-Q99 HydrophobicContact CD1-CG 4.4Å; F95-Q99 HydrophobicContact CE1-CG 3.95Å; F95-Q99 HydrophobicContact CE2-CG 4.2Å; F95-Q99 HydrophobicContact CZ-CG 3.84Å; F95-Q99 WeakPolarHBondContact O-CG 3.49Å; F95-Q99 PolarHBondContact O-N 3.11Å
96	W	96.1	Very high	95.8	Very high	101 Å²	101	80.3 Å²	80.3	38%	0.383	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-42.2	177.4	-88.3	99.8	0	0	0	112.5	D6 L8 A92 L93 Y98 Q99 V100	D6-W96 HydrophobicContact CB-CZ3 4.29Å; D6-W96 WeakPolarHBondContact O-CH2 3.38Å; L8-W96 HydrophobicContact CD1-CH2 4.23Å; L8-W96 HydrophobicContact CD1-CZ2 4.04Å; L8-W96 HydrophobicContact CD2-CD2 4.22Å; L8-W96 HydrophobicContact CD2-CE3 3.83Å; L8-W96 HydrophobicContact CD2-CH2 3.82Å; L8-W96 HydrophobicContact CD2-CZ2 4.16Å; L8-W96 HydrophobicContact CD2-CZ3 3.63Å; L8-W96 HydrophobicContact CG-CE3 4.48Å; L8-W96 HydrophobicContact CG-CH2 3.54Å; L8-W96 HydrophobicContact CG-CZ2 3.86Å; L8-W96 HydrophobicContact CG-CZ3 3.87Å; A92-W96 PolarHBondContact O-N 2.9Å; A92-W96 VanDerWaalsContact O-N 3.15Å; L93-W96 PolarHBondContact O-N 3.29Å; W96-Y98 VanDerWaalsContact C-N 3.29Å; W96-Y98 PolarHBondContact O-N 2.84Å; W96-Q99 PolarHBondContact O-N 2.98Å; W96-Q99 VanDerWaalsContact O-N 3.16Å; W96-V100 WeakPolarHBondContact O-CG2 3.35Å; W96-V100 PolarHBondContact O-N 3.39Å
97	S	95.9	Very high	95.5	Very high	77 Å²	77	79.1 Å²	79.1	54%	0.538	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-41.6	176.6	-59.7	0	0	0	0	111.5	L93 A94 F95 H101	L93-S97 WeakPolarHBondContact O-CB 3.46Å; L93-S97 PolarHBondContact O-N 3.23Å; L93-S97 PolarHBondContact O-OG 3.3Å; A94-S97 PolarHBondContact O-N 3.48Å; F95-S97 PolarHBondContact O-N 2.99Å; S97-H101 VanDerWaalsContact O-CB 3.25Å; S97-H101 WeakPolarHBondContact O-CB 3.4Å; S97-H101 PolarHBondContact O-N 3.49Å
98	Y	96.4	Very high	95.4	Very high	72 Å²	72	79.8 Å²	79.8	28%	0.282	40%	0.399	S	S	.	.	H	α-helix	trans	-61.8	-47.2	173.9	175.3	-100.1	0	0	0	111.5	S29 H30 A94 F95 W96 V100 H101 Q102	S29-Y98 WeakPolarHBondContact O-CD1 3.47Å; S29-Y98 VanDerWaalsContact O-CE1 3.32Å; S29-Y98 WeakPolarHBondContact O-CE1 3.46Å; H30-Y98 PolarHBondContact CE1-OH 3.47Å; H30-Y98 PolarHBondContact NE2-OH 3.36Å; H30-Y98 VanDerWaalsContact NE2-OH 3.1Å; A94-Y98 WeakPolarHBondContact O-CB 3.43Å; A94-Y98 PolarHBondContact O-N 3.48Å; F95-Y98 WeakPolarHBondContact O-CB 3.42Å; F95-Y98 PolarHBondContact O-N 2.91Å; W96-Y98 VanDerWaalsContact C-N 3.29Å; W96-Y98 PolarHBondContact O-N 2.84Å; Y98-V100 PolarHBondContact O-N 3.49Å; Y98-H101 PolarHBondContact O-N 3.45Å; Y98-Q102 HydrophobicContact CD1-CG 4.15Å; Y98-Q102 HydrophobicContact CD2-CG 4.1Å; Y98-Q102 HydrophobicContact CE1-CG 3.76Å; Y98-Q102 HydrophobicContact CE2-CG 3.69Å; Y98-Q102 HydrophobicContact CG-CG 4.32Å; Y98-Q102 WeakPolarHBondContact O-CB 3.32Å; Y98-Q102 VanDerWaalsContact O-CG 3.27Å; Y98-Q102 WeakPolarHBondContact O-CG 3.35Å; Y98-Q102 PolarHBondContact O-N 2.91Å
99	Q	96.3	Very high	95.2	Very high	12 Å²	12	83.8 Å²	83.8	6%	0.056	41%	0.411	C	S	.	.	H	α-helix	trans	-61.4	-45.5	179.9	-70.6	-65.7	-38.3	0	0	112.4	L8 N11 S29 F95 W96 Q102 E103	L8-Q99 HydrophobicContact CD2-CB 3.84Å; L8-Q99 HydrophobicContact CD2-CG 3.79Å; N11-Q99 PolarHBondContact ND2-OE1 3.41Å; N11-Q99 VanDerWaalsContact ND2-OE1 3.17Å; N11-Q99 PolarHBondContact OD1-NE2 3.27Å; N11-Q99 PolarHBondContact OD1-OE1 2.99Å; S29-Q99 PolarHBondContact O-NE2 2.92Å; F95-Q99 HydrophobicContact CD1-CG 4.4Å; F95-Q99 HydrophobicContact CE1-CG 3.95Å; F95-Q99 HydrophobicContact CE2-CG 4.2Å; F95-Q99 HydrophobicContact CZ-CG 3.84Å; F95-Q99 WeakPolarHBondContact O-CG 3.49Å; F95-Q99 PolarHBondContact O-N 3.11Å; W96-Q99 PolarHBondContact O-N 2.98Å; W96-Q99 VanDerWaalsContact O-N 3.16Å; Q99-Q102 PolarHBondContact O-N 3.31Å; Q99-E103 WeakPolarHBondContact O-CB 3.41Å; Q99-E103 PolarHBondContact O-N 3.47Å
100	V	94.4	Very high	95.1	Very high	76 Å²	76	83.8 Å²	83.8	46%	0.461	41%	0.411	S	S	.	.	H	α-helix	trans	-63.2	-43.3	176.1	172.5	0	0	0	0	111.1	W96 Y98 E103 R104	W96-V100 WeakPolarHBondContact O-CG2 3.35Å; W96-V100 PolarHBondContact O-N 3.39Å; Y98-V100 PolarHBondContact O-N 3.49Å; V100-E103 PolarHBondContact O-N 3.35Å; V100-R104 WeakPolarHBondContact O-CB 3.3Å; V100-R104 PolarHBondContact O-N 3.46Å
101	H	93.8	Very high	95	Very high	94 Å²	94	86.2 Å²	86.2	44%	0.435	42%	0.418	S	S	.	.	H	α-helix	trans	-63.9	-47.1	178.8	-178.6	72.4	0	0	0	112.1	S97 Y98 E103 R104 M105	S97-H101 VanDerWaalsContact O-CB 3.25Å; S97-H101 WeakPolarHBondContact O-CB 3.4Å; S97-H101 PolarHBondContact O-N 3.49Å; Y98-H101 PolarHBondContact O-N 3.45Å; H101-E103 VanDerWaalsContact C-N 3.29Å; H101-E103 PolarHBondContact O-N 2.93Å; H101-R104 WeakPolarHBondContact O-CB 3.24Å; H101-R104 PolarHBondContact O-N 3.05Å; H101-M105 WeakPolarHBondContact O-CG 3.5Å; H101-M105 PolarHBondContact O-N 3.47Å
102	Q	92.3	Very high	95	Very high	78 Å²	78	81.9 Å²	81.9	36%	0.364	41%	0.412	S	S	.	.	H	α-helix	trans	-59.4	-42.4	177.4	-73.3	-65.5	98.1	0	0	111.6	Y98 Q99 M105 Y106	Y98-Q102 HydrophobicContact CD1-CG 4.15Å; Y98-Q102 HydrophobicContact CD2-CG 4.1Å; Y98-Q102 HydrophobicContact CE1-CG 3.76Å; Y98-Q102 HydrophobicContact CE2-CG 3.69Å; Y98-Q102 HydrophobicContact CG-CG 4.32Å; Y98-Q102 WeakPolarHBondContact O-CB 3.32Å; Y98-Q102 VanDerWaalsContact O-CG 3.27Å; Y98-Q102 WeakPolarHBondContact O-CG 3.35Å; Y98-Q102 PolarHBondContact O-N 2.91Å; Q99-Q102 PolarHBondContact O-N 3.31Å; Q102-M105 PolarHBondContact O-N 3.16Å; Q102-Y106 PolarHBondContact O-N 3.35Å
103	E	91.9	Very high	95.1	Very high	37 Å²	37	85.9 Å²	85.9	17%	0.173	42%	0.416	C	S	.	.	H	α-helix	trans	-65.1	-42.3	177.3	177.1	51.8	-158.9	0	0	112	L9 R16 Q99 V100 H101 Y106 Q107	L9-E103 HydrophobicContact CD1-CG 4.34Å; R16-E103 IonicContact CZ-OE1 3.47Å; R16-E103 IonicContact CZ-OE2 3.28Å; R16-E103 IonicContact NH1-OE1 3.04Å; R16-E103 IonicContact NH1-OE2 3.41Å; R16-E103 PolarHBondContact NH1-OE2 2.95Å; R16-E103 IonicContact NH2-OE1 3.38Å; R16-E103 PolarHBondContact NH2-OE1 3.33Å; R16-E103 IonicContact NH2-OE2 2.89Å; R16-E103 PolarHBondContact NH2-OE2 3Å; Q99-E103 WeakPolarHBondContact O-CB 3.41Å; Q99-E103 PolarHBondContact O-N 3.47Å; V100-E103 PolarHBondContact O-N 3.35Å; H101-E103 VanDerWaalsContact C-N 3.29Å; H101-E103 PolarHBondContact O-N 2.93Å; E103-Y106 WeakPolarHBondContact O-CB 3.42Å; E103-Y106 PolarHBondContact O-N 2.95Å; E103-Q107 WeakPolarHBondContact O-CG 3.28Å; E103-Q107 PolarHBondContact O-N 3.44Å; E103-Q107 WeakPolarHBondContact OE1-CG 3.42Å; E103-Q107 PolarHBondContact OE1-NE2 3.07Å
104	R	92.9	Very high	95.1	Very high	149 Å²	149	82.2 Å²	82.2	56%	0.562	40%	0.403	S	S	*	.	H	α-helix	trans	-59.7	-48.2	174.9	-178.7	-179.2	177.6	166.6	5.5	111.8	V100 H101 Y106 Q107 E108	V100-R104 WeakPolarHBondContact O-CB 3.3Å; V100-R104 PolarHBondContact O-N 3.46Å; H101-R104 WeakPolarHBondContact O-CB 3.24Å; H101-R104 PolarHBondContact O-N 3.05Å; R104-Y106 VanDerWaalsContact C-N 3.28Å; R104-Y106 PolarHBondContact O-N 3.43Å; R104-Q107 PolarHBondContact O-N 3.37Å; R104-E108 HydrophobicContact CG-CG 4.43Å; R104-E108 WeakPolarHBondContact CG-OE1 3.43Å; R104-E108 IonicContact CZ-OE1 2.73Å; R104-E108 IonicContact NE-OE1 3.7Å; R104-E108 PolarHBondContact NE-OE1 2.84Å; R104-E108 IonicContact NH2-OE1 2.67Å; R104-E108 WeakPolarHBondContact O-CG 3.42Å; R104-E108 PolarHBondContact O-N 2.9Å
105	M	93.4	Very high	95.1	Very high	73 Å²	73	82.9 Å²	82.9	36%	0.36	40%	0.399	S	S	.	.	H	α-helix	trans	-59.6	-40.6	177.9	-68.5	-63.4	102	0	0	111.6	H101 Q102 E108 Y109	H101-M105 WeakPolarHBondContact O-CG 3.5Å; H101-M105 PolarHBondContact O-N 3.47Å; Q102-M105 PolarHBondContact O-N 3.16Å; M105-E108 WeakPolarHBondContact CE-OE2 3.43Å; M105-Y109 WeakPolarHBondContact O-CB 3.43Å; M105-Y109 PolarHBondContact O-N 3.22Å
106	Y	91.8	Very high	95.2	Very high	111 Å²	111	85.4 Å²	85.4	44%	0.435	42%	0.417	S	S	.	.	H	α-helix	trans	-62.5	-46	175	177.5	-89.4	0	0	0	112.3	R16 Q102 E103 R104 Y109 S110	R16-Y106 VanDerWaalsContact CZ-CD1 3.48Å; R16-Y106 VanDerWaalsContact NH1-CE1 3.25Å; Q102-Y106 PolarHBondContact O-N 3.35Å; E103-Y106 WeakPolarHBondContact O-CB 3.42Å; E103-Y106 PolarHBondContact O-N 2.95Å; R104-Y106 VanDerWaalsContact C-N 3.28Å; R104-Y106 PolarHBondContact O-N 3.43Å; Y106-Y109 PolarHBondContact O-N 2.94Å; Y106-S110 WeakPolarHBondContact O-CB 3.39Å; Y106-S110 PolarHBondContact O-N 3.36Å
107	Q	92.3	Very high	95.3	Very high	101 Å²	101	85.8 Å²	85.8	47%	0.472	42%	0.423	S	S	.	.	H	α-helix	trans	-62.9	-44.4	178.4	-71.6	177.4	5.6	0	0	111.6	E103 R104 Y109 S110 L111	E103-Q107 WeakPolarHBondContact O-CG 3.28Å; E103-Q107 PolarHBondContact O-N 3.44Å; E103-Q107 WeakPolarHBondContact OE1-CG 3.42Å; E103-Q107 PolarHBondContact OE1-NE2 3.07Å; R104-Q107 PolarHBondContact O-N 3.37Å; Q107-Y109 PolarHBondContact O-N 3.31Å; Q107-S110 PolarHBondContact O-N 3.35Å; Q107-L111 WeakPolarHBondContact O-CB 3.48Å; Q107-L111 VanDerWaalsContact O-CG 3.28Å; Q107-L111 WeakPolarHBondContact O-CG 3.08Å; Q107-L111 PolarHBondContact O-N 3.48Å
108	E	95.8	Very high	95.4	Very high	83 Å²	83	87.9 Å²	87.9	39%	0.388	43%	0.427	S	S	.	.	H	α-helix	trans	-59.9	-44.6	176.7	-73.5	174.3	-174.7	0	0	111.6	R104 M105 L111 S112	R104-E108 HydrophobicContact CG-CG 4.43Å; R104-E108 WeakPolarHBondContact CG-OE1 3.43Å; R104-E108 IonicContact CZ-OE1 2.73Å; R104-E108 IonicContact NE-OE1 3.7Å; R104-E108 PolarHBondContact NE-OE1 2.84Å; R104-E108 IonicContact NH2-OE1 2.67Å; R104-E108 WeakPolarHBondContact O-CG 3.42Å; R104-E108 PolarHBondContact O-N 2.9Å; M105-E108 WeakPolarHBondContact CE-OE2 3.43Å; E108-L111 PolarHBondContact O-N 3.09Å; E108-S112 WeakPolarHBondContact O-CB 3.39Å; E108-S112 PolarHBondContact O-N 2.84Å
109	Y	95.1	Very high	95.5	Very high	154 Å²	154	90.2 Å²	90.2	60%	0.604	44%	0.439	S	S	*	.	H	α-helix	trans	-61.7	-46.2	174.3	174.8	-99.3	0	0	0	112.5	M105 Y106 Q107 L111 S112 R113	M105-Y109 WeakPolarHBondContact O-CB 3.43Å; M105-Y109 PolarHBondContact O-N 3.22Å; Y106-Y109 PolarHBondContact O-N 2.94Å; Q107-Y109 PolarHBondContact O-N 3.31Å; Y109-L111 VanDerWaalsContact C-N 3.35Å; Y109-L111 PolarHBondContact O-N 2.73Å; Y109-S112 PolarHBondContact O-N 3.48Å; Y109-R113 PolarHBondContact O-N 3.03Å
110	S	94.6	Very high	95.5	Very high	50 Å²	50	95.9 Å²	95.9	35%	0.35	47%	0.465	S	S	.	.	H	α-helix	trans	-60.7	-44.4	178.9	-172.2	0	0	0	0	111.7	Y106 Q107 R113 A114	Y106-S110 WeakPolarHBondContact O-CB 3.39Å; Y106-S110 PolarHBondContact O-N 3.36Å; Q107-S110 PolarHBondContact O-N 3.35Å; S110-R113 PolarHBondContact O-N 3.21Å; S110-A114 WeakPolarHBondContact O-CB 3.37Å; S110-A114 PolarHBondContact O-N 3.45Å
111	L	96.9	Very high	95.7	Very high	122 Å²	122	98.6 Å²	98.6	64%	0.639	47%	0.474	S	S	*	.	H	α-helix	trans	-62.5	-46.2	176.6	-74.8	171	0	0	0	111.7	Q107 E108 Y109 R113 A114 D115	Q107-L111 WeakPolarHBondContact O-CB 3.48Å; Q107-L111 VanDerWaalsContact O-CG 3.28Å; Q107-L111 WeakPolarHBondContact O-CG 3.08Å; Q107-L111 PolarHBondContact O-N 3.48Å; E108-L111 PolarHBondContact O-N 3.09Å; Y109-L111 VanDerWaalsContact C-N 3.35Å; Y109-L111 PolarHBondContact O-N 2.73Å; L111-R113 VanDerWaalsContact C-N 3.3Å; L111-R113 PolarHBondContact O-N 2.67Å; L111-A114 PolarHBondContact O-N 3.19Å; L111-D115 WeakPolarHBondContact O-CB 3.4Å; L111-D115 PolarHBondContact O-N 2.97Å
112	S	97.8	Very high	95.9	Very high	73 Å²	73	99.7 Å²	99.7	51%	0.51	48%	0.48	S	S	.	.	H	α-helix	trans	-59.4	-41.2	177	179.5	0	0	0	0	112.3	E108 Y109 D115 T116	E108-S112 WeakPolarHBondContact O-CB 3.39Å; E108-S112 PolarHBondContact O-N 2.84Å; Y109-S112 PolarHBondContact O-N 3.48Å; S112-D115 PolarHBondContact O-N 3.3Å; S112-T116 PolarHBondContact O-N 3.45Å; S112-T116 PolarHBondContact O-OG1 2.89Å
113	R	97.3	Very high	96.2	Very high	136 Å²	136	102.4 Å²	102.4	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-64.7	-44.4	175.4	-159.9	-173.7	98.2	-154.4	4.5	111.7	Y109 S110 L111 T116 Q117	Y109-R113 PolarHBondContact O-N 3.03Å; S110-R113 PolarHBondContact O-N 3.21Å; L111-R113 VanDerWaalsContact C-N 3.3Å; L111-R113 PolarHBondContact O-N 2.67Å; R113-T116 PolarHBondContact O-N 3.1Å; R113-Q117 WeakPolarHBondContact O-CG 3.39Å; R113-Q117 PolarHBondContact O-N 3.41Å; R113-Q117 VanDerWaalsContact O-N 3.1Å
114	A	97.5	Very high	96.5	Very high	41 Å²	41	103.3 Å²	103.3	34%	0.339	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-42.6	177.7	0	0	0	0	0	111.9	S110 L111 T116 Q117 L118	S110-A114 WeakPolarHBondContact O-CB 3.37Å; S110-A114 PolarHBondContact O-N 3.45Å; L111-A114 PolarHBondContact O-N 3.19Å; A114-T116 VanDerWaalsContact C-N 3.34Å; A114-T116 PolarHBondContact O-N 2.96Å; A114-Q117 PolarHBondContact O-N 3.39Å; A114-L118 WeakPolarHBondContact O-CG 3.4Å; A114-L118 PolarHBondContact O-N 3.47Å
115	D	98.1	Very high	96.8	Very high	71 Å²	71	100.4 Å²	100.4	38%	0.38	49%	0.494	S	S	.	.	H	α-helix	trans	-59.8	-43.2	175.6	178.6	71.3	0	0	0	111.9	L111 S112 Q117 L118 K119	L111-D115 WeakPolarHBondContact O-CB 3.4Å; L111-D115 PolarHBondContact O-N 2.97Å; S112-D115 PolarHBondContact O-N 3.3Å; D115-Q117 VanDerWaalsContact C-N 3.35Å; D115-Q117 PolarHBondContact O-N 3.04Å; D115-L118 PolarHBondContact O-N 2.85Å; D115-K119 WeakPolarHBondContact O-CG 3.35Å; D115-K119 PolarHBondContact O-N 2.94Å; D115-K119 IonicContact OD1-NZ 3.88Å; D115-K119 VanDerWaalsContact OD2-CE 3.24Å; D115-K119 WeakPolarHBondContact OD2-CE 3.47Å; D115-K119 IonicContact OD2-NZ 2.64Å; D115-K119 PolarHBondContact OD2-NZ 3.36Å
116	T	98.1	Very high	97	Very high	82 Å²	82	100.6 Å²	100.6	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-43.8	175.4	-57.8	0	0	0	0	111.7	S112 R113 A114 K119 Q120	S112-T116 PolarHBondContact O-N 3.45Å; S112-T116 PolarHBondContact O-OG1 2.89Å; R113-T116 PolarHBondContact O-N 3.1Å; A114-T116 VanDerWaalsContact C-N 3.34Å; A114-T116 PolarHBondContact O-N 2.96Å; T116-K119 PolarHBondContact O-N 3.21Å; T116-Q120 PolarHBondContact O-N 3.06Å
117	Q	97.9	Very high	97.3	Very high	109 Å²	109	100.3 Å²	100.3	51%	0.509	50%	0.499	S	S	.	.	H	α-helix	trans	-65.2	-40.7	177.4	-71.8	-179.3	-29.2	0	0	112.1	R113 A114 D115 Q120 M121	R113-Q117 WeakPolarHBondContact O-CG 3.39Å; R113-Q117 PolarHBondContact O-N 3.41Å; R113-Q117 VanDerWaalsContact O-N 3.1Å; A114-Q117 PolarHBondContact O-N 3.39Å; D115-Q117 VanDerWaalsContact C-N 3.35Å; D115-Q117 PolarHBondContact O-N 3.04Å; Q117-Q120 PolarHBondContact O-N 2.69Å; Q117-M121 WeakPolarHBondContact O-CB 3.37Å; Q117-M121 PolarHBondContact O-N 3.42Å
118	L	98.3	Very high	97.6	Very high	121 Å²	121	99.9 Å²	99.9	63%	0.634	50%	0.497	S	S	*	.	H	α-helix	trans	-61.4	-48.2	176.1	-76.4	172.7	0	0	0	111.4	A114 D115 Q120 M121 E122	A114-L118 WeakPolarHBondContact O-CG 3.4Å; A114-L118 PolarHBondContact O-N 3.47Å; D115-L118 PolarHBondContact O-N 2.85Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 2.75Å; L118-M121 PolarHBondContact O-N 2.69Å; L118-M121 VanDerWaalsContact O-N 3.16Å; L118-E122 WeakPolarHBondContact O-CB 3.41Å; L118-E122 PolarHBondContact O-N 2.84Å
119	K	98.3	Very high	97.7	Very high	121 Å²	121	99.4 Å²	99.4	53%	0.526	50%	0.497	S	S	.	.	H	α-helix	trans	-60	-39.8	177	-74.5	171.1	177.1	162.8	0	112.5	D115 T116 K123	D115-K119 WeakPolarHBondContact O-CG 3.35Å; D115-K119 PolarHBondContact O-N 2.94Å; D115-K119 IonicContact OD1-NZ 3.88Å; D115-K119 VanDerWaalsContact OD2-CE 3.24Å; D115-K119 WeakPolarHBondContact OD2-CE 3.47Å; D115-K119 IonicContact OD2-NZ 2.64Å; D115-K119 PolarHBondContact OD2-NZ 3.36Å; T116-K119 PolarHBondContact O-N 3.21Å; K119-K123 WeakPolarHBondContact O-CB 3.34Å; K119-K123 PolarHBondContact O-N 3.18Å
120	Q	98.1	Very high	97.8	Very high	131 Å²	131	98.1 Å²	98.1	61%	0.612	50%	0.496	S	S	*	.	H	α-helix	trans	-64.9	-44.2	175.6	-176	177.2	-1	0	0	111.5	T116 Q117 L118 K123 V124	T116-Q120 PolarHBondContact O-N 3.06Å; Q117-Q120 PolarHBondContact O-N 2.69Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 2.75Å; Q120-K123 PolarHBondContact O-N 3.34Å; Q120-V124 WeakPolarHBondContact O-CG2 3.39Å; Q120-V124 PolarHBondContact O-N 3.47Å; Q120-V124 VanDerWaalsContact O-N 3.09Å
121	M	98.1	Very high	98	Very high	133 Å²	133	98.5 Å²	98.5	66%	0.655	50%	0.499	S	S	*	.	H	α-helix	trans	-64.9	-42.5	178.8	-170	63.2	165.5	0	0	111.8	Q117 L118 K123 V124 L125	Q117-M121 WeakPolarHBondContact O-CB 3.37Å; Q117-M121 PolarHBondContact O-N 3.42Å; L118-M121 PolarHBondContact O-N 2.69Å; L118-M121 VanDerWaalsContact O-N 3.16Å; M121-K123 VanDerWaalsContact C-N 3.32Å; M121-K123 PolarHBondContact O-N 2.96Å; M121-V124 PolarHBondContact O-N 2.89Å; M121-L125 WeakPolarHBondContact O-CB 3.23Å; M121-L125 PolarHBondContact O-N 3.37Å
122	E	98.3	Very high	98	Very high	118 Å²	118	98.7 Å²	98.7	55%	0.551	49%	0.491	S	S	*	.	H	α-helix	trans	-59.2	-43.5	175.4	-174.5	179.8	-174.9	0	0	111.4	L118 V124 L125 N126	L118-E122 WeakPolarHBondContact O-CB 3.41Å; L118-E122 PolarHBondContact O-N 2.84Å; E122-V124 PolarHBondContact O-N 3.45Å; E122-L125 PolarHBondContact O-N 2.87Å; E122-N126 WeakPolarHBondContact O-CB 3.39Å; E122-N126 PolarHBondContact O-N 3.01Å; E122-N126 PolarHBondContact O-ND2 2.79Å
123	K	98.2	Very high	98.1	Very high	134 Å²	134	100.5 Å²	100.5	58%	0.583	49%	0.492	S	S	*	.	H	α-helix	trans	-59.8	-46.2	175	-176.5	178.6	178.4	-179.8	0	112	K119 Q120 M121 N126 Q127	K119-K123 WeakPolarHBondContact O-CB 3.34Å; K119-K123 PolarHBondContact O-N 3.18Å; Q120-K123 PolarHBondContact O-N 3.34Å; M121-K123 VanDerWaalsContact C-N 3.32Å; M121-K123 PolarHBondContact O-N 2.96Å; K123-N126 PolarHBondContact O-N 3.26Å; K123-Q127 VanDerWaalsContact O-CG 3.3Å; K123-Q127 WeakPolarHBondContact O-CG 3.49Å; K123-Q127 PolarHBondContact O-N 2.64Å
124	V	98.3	Very high	98.1	Very high	57 Å²	57	99.8 Å²	99.8	35%	0.345	50%	0.497	S	S	.	.	H	α-helix	trans	-63.5	-44.2	178.8	171.9	0	0	0	0	110.9	Q120 M121 E122 N126 Q127 Q128	Q120-V124 WeakPolarHBondContact O-CG2 3.39Å; Q120-V124 PolarHBondContact O-N 3.47Å; Q120-V124 VanDerWaalsContact O-N 3.09Å; M121-V124 PolarHBondContact O-N 2.89Å; E122-V124 PolarHBondContact O-N 3.45Å; V124-N126 PolarHBondContact O-N 3.36Å; V124-Q127 PolarHBondContact O-N 2.93Å; V124-Q128 WeakPolarHBondContact O-CG 3.41Å; V124-Q128 PolarHBondContact O-N 2.93Å
125	L	98.1	Very high	98.1	Very high	87 Å²	87	103 Å²	103	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-44.4	178.8	-176.3	64.1	0	0	0	111.6	M121 E122 Q127 Q128 N129	M121-L125 WeakPolarHBondContact O-CB 3.23Å; M121-L125 PolarHBondContact O-N 3.37Å; E122-L125 PolarHBondContact O-N 2.87Å; L125-Q127 PolarHBondContact O-N 3Å; L125-Q128 PolarHBondContact O-N 3.47Å; L125-N129 WeakPolarHBondContact O-CB 3.44Å; L125-N129 PolarHBondContact O-N 3.4Å
126	N	98.1	Very high	98.1	Very high	78 Å²	78	103.1 Å²	103.1	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-41.9	176.8	-78.1	-24.7	0	0	0	112.1	E122 K123 V124 N129 Q130	E122-N126 WeakPolarHBondContact O-CB 3.39Å; E122-N126 PolarHBondContact O-N 3.01Å; E122-N126 PolarHBondContact O-ND2 2.79Å; K123-N126 PolarHBondContact O-N 3.26Å; V124-N126 PolarHBondContact O-N 3.36Å; N126-N129 PolarHBondContact O-N 2.93Å; N126-Q130 WeakPolarHBondContact O-CG 3.34Å; N126-Q130 PolarHBondContact O-N 2.75Å
127	Q	98	Very high	98.2	Very high	105 Å²	105	103.3 Å²	103.3	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-63.2	-43.8	175.5	-73.5	174.6	-16.2	0	0	112.2	K123 V124 L125 Q130 S131	K123-Q127 VanDerWaalsContact O-CG 3.3Å; K123-Q127 WeakPolarHBondContact O-CG 3.49Å; K123-Q127 PolarHBondContact O-N 2.64Å; V124-Q127 PolarHBondContact O-N 2.93Å; L125-Q127 PolarHBondContact O-N 3Å; Q127-Q130 PolarHBondContact O-N 3.21Å; Q127-S131 PolarHBondContact O-N 3.28Å
128	Q	98.1	Very high	98.2	Very high	91 Å²	91	100.7 Å²	100.7	43%	0.425	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-41.2	176.6	-73.8	-175.5	-4.1	0	0	112.1	V124 L125 S131 R132	V124-Q128 WeakPolarHBondContact O-CG 3.41Å; V124-Q128 PolarHBondContact O-N 2.93Å; L125-Q128 PolarHBondContact O-N 3.47Å; Q128-S131 PolarHBondContact O-N 3.45Å; Q128-R132 WeakPolarHBondContact O-CG 3.38Å; Q128-R132 PolarHBondContact O-N 2.83Å
129	N	98.2	Very high	98.2	Very high	73 Å²	73	99.6 Å²	99.6	39%	0.39	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-42.6	176.6	-78	-13	0	0	0	111.5	L125 N126 S131 R132 E133	L125-N129 WeakPolarHBondContact O-CB 3.44Å; L125-N129 PolarHBondContact O-N 3.4Å; N126-N129 PolarHBondContact O-N 2.93Å; N129-S131 PolarHBondContact O-N 3.45Å; N129-R132 PolarHBondContact O-N 3.21Å; N129-E133 WeakPolarHBondContact O-CG 3.48Å; N129-E133 PolarHBondContact O-N 3.39Å
130	Q	98.2	Very high	98.2	Very high	128 Å²	128	101.7 Å²	101.7	60%	0.598	50%	0.501	S	S	*	.	H	α-helix	trans	-60.8	-43.8	174.5	-72.6	173.3	1.4	0	0	112.2	N126 Q127 R132 E133 I134	N126-Q130 WeakPolarHBondContact O-CG 3.34Å; N126-Q130 PolarHBondContact O-N 2.75Å; Q127-Q130 PolarHBondContact O-N 3.21Å; Q130-R132 PolarHBondContact O-N 3.37Å; Q130-E133 PolarHBondContact O-N 3.3Å; Q130-I134 WeakPolarHBondContact O-CG1 3.48Å; Q130-I134 PolarHBondContact O-N 3.45Å; Q130-I134 VanDerWaalsContact O-N 3.11Å
131	S	98.2	Very high	98.2	Very high	58 Å²	58	97.5 Å²	97.5	41%	0.406	49%	0.493	S	S	.	.	H	α-helix	trans	-59.7	-46.2	175.4	-165.6	0	0	0	0	111.8	Q127 Q128 N129 E133 I134 E135	Q127-S131 PolarHBondContact O-N 3.28Å; Q128-S131 PolarHBondContact O-N 3.45Å; N129-S131 PolarHBondContact O-N 3.45Å; S131-E133 PolarHBondContact O-N 3.49Å; S131-I134 PolarHBondContact O-N 2.9Å; S131-E135 WeakPolarHBondContact O-CG 3.37Å; S131-E135 PolarHBondContact O-N 3.21Å; S131-E135 PolarHBondContact OG-OE1 3.16Å
132	R	97.7	Very high	98.2	Very high	126 Å²	126	96.8 Å²	96.8	48%	0.475	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-40	178.5	-73.7	178.4	-178.6	122.5	3.8	112.3	Q128 N129 Q130 I134 E135 L136	Q128-R132 WeakPolarHBondContact O-CG 3.38Å; Q128-R132 PolarHBondContact O-N 2.83Å; N129-R132 PolarHBondContact O-N 3.21Å; Q130-R132 PolarHBondContact O-N 3.37Å; R132-I134 VanDerWaalsContact C-N 3.32Å; R132-I134 PolarHBondContact O-N 2.91Å; R132-E135 PolarHBondContact O-N 3.4Å; R132-L136 VanDerWaalsContact O-CB 3.3Å; R132-L136 WeakPolarHBondContact O-CB 3.25Å; R132-L136 VanDerWaalsContact O-CG 3.23Å; R132-L136 WeakPolarHBondContact O-CG 3.36Å; R132-L136 PolarHBondContact O-N 3.32Å
133	E	98.3	Very high	98.2	Very high	111 Å²	111	95.5 Å²	95.5	52%	0.519	48%	0.484	S	S	.	.	H	α-helix	trans	-62.3	-39.5	175.7	-78.8	-67.4	164.8	0	0	112	N129 Q130 S131 T137	N129-E133 WeakPolarHBondContact O-CG 3.48Å; N129-E133 PolarHBondContact O-N 3.39Å; Q130-E133 PolarHBondContact O-N 3.3Å; S131-E133 PolarHBondContact O-N 3.49Å; E133-T137 WeakPolarHBondContact O-CB 3.46Å; E133-T137 PolarHBondContact O-N 2.75Å; E133-T137 PolarHBondContact O-OG1 3.33Å
134	I	98.3	Very high	98.2	Very high	121 Å²	121	92 Å²	92	62%	0.621	48%	0.48	S	S	*	.	H	α-helix	trans	-64.4	-49.2	175	-66.3	165.8	0	0	0	110.5	Q130 S131 R132 L136 T137 A138	Q130-I134 WeakPolarHBondContact O-CG1 3.48Å; Q130-I134 PolarHBondContact O-N 3.45Å; Q130-I134 VanDerWaalsContact O-N 3.11Å; S131-I134 PolarHBondContact O-N 2.9Å; R132-I134 VanDerWaalsContact C-N 3.32Å; R132-I134 PolarHBondContact O-N 2.91Å; I134-L136 PolarHBondContact O-N 2.96Å; I134-T137 PolarHBondContact O-N 2.82Å; I134-A138 PolarHBondContact O-N 2.94Å
135	E	98.1	Very high	98.2	Very high	107 Å²	107	92.3 Å²	92.3	50%	0.5	48%	0.484	S	S	.	.	H	α-helix	trans	-60.5	-43.9	177.8	-73.6	170.1	-154.4	0	0	112.2	S131 R132 T137 A138 M139	S131-E135 WeakPolarHBondContact O-CG 3.37Å; S131-E135 PolarHBondContact O-N 3.21Å; S131-E135 PolarHBondContact OG-OE1 3.16Å; R132-E135 PolarHBondContact O-N 3.4Å; E135-T137 VanDerWaalsContact C-N 3.3Å; E135-T137 PolarHBondContact O-N 2.86Å; E135-A138 PolarHBondContact O-N 3.26Å; E135-M139 WeakPolarHBondContact O-CG 3.34Å; E135-M139 PolarHBondContact O-N 3.39Å
136	L	98.3	Very high	98.2	Very high	74 Å²	74	93.6 Å²	93.6	39%	0.387	49%	0.491	S	S	.	.	H	α-helix	trans	-60.3	-41.8	175.7	-78.3	171.3	0	0	0	111.6	R132 I134 M139 R140	R132-L136 VanDerWaalsContact O-CB 3.3Å; R132-L136 WeakPolarHBondContact O-CB 3.25Å; R132-L136 VanDerWaalsContact O-CG 3.23Å; R132-L136 WeakPolarHBondContact O-CG 3.36Å; R132-L136 PolarHBondContact O-N 3.32Å; I134-L136 PolarHBondContact O-N 2.96Å; L136-M139 HydrophobicContact CD2-CE 4.22Å; L136-R140 WeakPolarHBondContact O-CB 3.46Å; L136-R140 VanDerWaalsContact O-CG 3.25Å; L136-R140 WeakPolarHBondContact O-CG 3.45Å; L136-R140 PolarHBondContact O-N 2.9Å
137	T	98.4	Very high	98.2	Very high	87 Å²	87	96.2 Å²	96.2	53%	0.534	50%	0.499	S	S	.	.	H	α-helix	trans	-66.2	-42.2	177.5	-58.7	0	0	0	0	111.3	E133 I134 E135 R140 G141	E133-T137 WeakPolarHBondContact O-CB 3.46Å; E133-T137 PolarHBondContact O-N 2.75Å; E133-T137 PolarHBondContact O-OG1 3.33Å; I134-T137 PolarHBondContact O-N 2.82Å; E135-T137 VanDerWaalsContact C-N 3.3Å; E135-T137 PolarHBondContact O-N 2.86Å; T137-R140 PolarHBondContact O-N 3.37Å; T137-G141 PolarHBondContact O-N 3.47Å
138	A	98.4	Very high	98.2	Very high	54 Å²	54	98 Å²	98	45%	0.446	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-49.9	175.6	0	0	0	0	0	111.8	I134 E135 R140 G141 E142	I134-A138 PolarHBondContact O-N 2.94Å; E135-A138 PolarHBondContact O-N 3.26Å; A138-R140 VanDerWaalsContact C-N 3.32Å; A138-R140 PolarHBondContact O-N 3.27Å; A138-G141 WeakPolarHBondContact O-CA 3.36Å; A138-G141 PolarHBondContact O-N 3.49Å; A138-E142 PolarHBondContact O-N 3.4Å
139	M	98.3	Very high	98.2	Very high	98 Å²	98	96.6 Å²	96.6	48%	0.483	50%	0.503	S	S	.	.	H	α-helix	trans	-60.6	-39.1	177.2	-73.9	-160.8	-71	0	0	112.5	E135 L136 G141 E142 I143	E135-M139 WeakPolarHBondContact O-CG 3.34Å; E135-M139 PolarHBondContact O-N 3.39Å; L136-M139 HydrophobicContact CD2-CE 4.22Å; M139-G141 VanDerWaalsContact C-N 3.28Å; M139-G141 PolarHBondContact O-N 2.87Å; M139-E142 PolarHBondContact O-N 2.93Å; M139-I143 VanDerWaalsContact O-CG1 3.29Å; M139-I143 WeakPolarHBondContact O-CG1 3.3Å; M139-I143 PolarHBondContact O-N 2.98Å
140	R	98.2	Very high	98.2	Very high	165 Å²	165	97.7 Å²	97.7	62%	0.623	51%	0.506	S	S	*	.	H	α-helix	trans	-60.1	-39.8	173.1	-77.6	171.7	176.7	166.5	1.5	111.6	L136 T137 A138 A144	L136-R140 WeakPolarHBondContact O-CB 3.46Å; L136-R140 VanDerWaalsContact O-CG 3.25Å; L136-R140 WeakPolarHBondContact O-CG 3.45Å; L136-R140 PolarHBondContact O-N 2.9Å; T137-R140 PolarHBondContact O-N 3.37Å; A138-R140 VanDerWaalsContact C-N 3.32Å; A138-R140 PolarHBondContact O-N 3.27Å; R140-A144 PolarHBondContact O-N 3.47Å
141	G	98.3	Very high	98.1	Very high	43 Å²	43	96.9 Å²	96.9	44%	0.443	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-45.4	174.3	0	0	0	0	0	113	T137 A138 M139 A144 S145	T137-G141 PolarHBondContact O-N 3.47Å; A138-G141 WeakPolarHBondContact O-CA 3.36Å; A138-G141 PolarHBondContact O-N 3.49Å; M139-G141 VanDerWaalsContact C-N 3.28Å; M139-G141 PolarHBondContact O-N 2.87Å; G141-A144 WeakPolarHBondContact O-CB 3.49Å; G141-A144 PolarHBondContact O-N 2.91Å; G141-S145 PolarHBondContact O-N 3.17Å
142	E	98.3	Very high	98.1	Very high	117 Å²	117	98 Å²	98	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-63.1	-42.4	176.1	-69.7	177.8	-174.6	0	0	112.4	A138 M139 A144 S145 L146	A138-E142 PolarHBondContact O-N 3.4Å; M139-E142 PolarHBondContact O-N 2.93Å; E142-A144 VanDerWaalsContact C-N 3.28Å; E142-A144 PolarHBondContact O-N 3.03Å; E142-S145 PolarHBondContact O-N 3.43Å; E142-S145 PolarHBondContact O-OG 3.39Å; E142-L146 WeakPolarHBondContact O-CB 3.27Å; E142-L146 WeakPolarHBondContact O-CG 3.43Å; E142-L146 PolarHBondContact O-N 3.15Å
143	I	98.3	Very high	98.1	Very high	91 Å²	91	99.4 Å²	99.4	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-60.7	-41.8	174.9	-70.3	167	0	0	0	110.4	M139 K147	M139-I143 VanDerWaalsContact O-CG1 3.29Å; M139-I143 WeakPolarHBondContact O-CG1 3.3Å; M139-I143 PolarHBondContact O-N 2.98Å; I143-K147 HydrophobicContact CG2-CD 4.18Å; I143-K147 WeakPolarHBondContact O-CB 3.33Å; I143-K147 VanDerWaalsContact O-CG 3.26Å; I143-K147 WeakPolarHBondContact O-CG 3.4Å; I143-K147 PolarHBondContact O-N 3.34Å
144	A	98.3	Very high	98.1	Very high	61 Å²	61	99.5 Å²	99.5	50%	0.504	51%	0.507	S	S	.	.	H	α-helix	trans	-64.9	-41.9	178	0	0	0	0	0	112.1	R140 G141 E142 K147 K148	R140-A144 PolarHBondContact O-N 3.47Å; G141-A144 WeakPolarHBondContact O-CB 3.49Å; G141-A144 PolarHBondContact O-N 2.91Å; E142-A144 VanDerWaalsContact C-N 3.28Å; E142-A144 PolarHBondContact O-N 3.03Å; A144-K147 PolarHBondContact O-N 3.16Å; A144-K148 PolarHBondContact O-N 3.02Å
145	S	98.2	Very high	98.1	Very high	63 Å²	63	102.1 Å²	102.1	44%	0.441	51%	0.509	S	S	.	.	H	α-helix	trans	-66.5	-46.4	177.6	72.8	0	0	0	0	111.5	G141 E142 K147 K148 V149	G141-S145 PolarHBondContact O-N 3.17Å; E142-S145 PolarHBondContact O-N 3.43Å; E142-S145 PolarHBondContact O-OG 3.39Å; S145-K147 VanDerWaalsContact C-N 3.32Å; S145-K147 PolarHBondContact O-N 3.02Å; S145-K148 WeakPolarHBondContact O-CB 3.48Å; S145-K148 PolarHBondContact O-N 3.17Å; S145-K148 VanDerWaalsContact O-N 3.08Å; S145-V149 WeakPolarHBondContact O-CG2 3.29Å; S145-V149 PolarHBondContact O-N 3.06Å
146	L	98.1	Very high	98.1	Very high	115 Å²	115	102.1 Å²	102.1	60%	0.602	51%	0.507	S	S	*	.	H	α-helix	trans	-60.9	-38.8	176.9	-74.3	172.4	0	0	0	112.2	E142 K148 V149 M150	E142-L146 WeakPolarHBondContact O-CB 3.27Å; E142-L146 WeakPolarHBondContact O-CG 3.43Å; E142-L146 PolarHBondContact O-N 3.15Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 2.69Å; L146-V149 PolarHBondContact O-N 3.15Å; L146-M150 WeakPolarHBondContact O-CB 3.46Å; L146-M150 PolarHBondContact O-N 2.92Å
147	K	98	Very high	98.1	Very high	132 Å²	132	107 Å²	107	57%	0.574	52%	0.521	S	S	*	.	H	α-helix	trans	-59.5	-42.8	173.3	-80.5	176.6	179	-178	0	111.9	I143 A144 S145 M150 E151	I143-K147 HydrophobicContact CG2-CD 4.18Å; I143-K147 WeakPolarHBondContact O-CB 3.33Å; I143-K147 VanDerWaalsContact O-CG 3.26Å; I143-K147 WeakPolarHBondContact O-CG 3.4Å; I143-K147 PolarHBondContact O-N 3.34Å; A144-K147 PolarHBondContact O-N 3.16Å; S145-K147 VanDerWaalsContact C-N 3.32Å; S145-K147 PolarHBondContact O-N 3.02Å; K147-M150 PolarHBondContact O-N 3.46Å; K147-E151 PolarHBondContact O-N 3.32Å; K147-E151 VanDerWaalsContact O-N 3.08Å
148	K	98.1	Very high	98	Very high	143 Å²	143	105.6 Å²	105.6	62%	0.622	52%	0.515	S	S	*	.	H	α-helix	trans	-64.3	-46.2	177	-172	-178.4	177.1	-177	0	111.4	A144 S145 L146 M150 E151 E152	A144-K148 PolarHBondContact O-N 3.02Å; S145-K148 WeakPolarHBondContact O-CB 3.48Å; S145-K148 PolarHBondContact O-N 3.17Å; S145-K148 VanDerWaalsContact O-N 3.08Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 2.69Å; K148-M150 VanDerWaalsContact C-N 3.34Å; K148-M150 PolarHBondContact O-N 3.45Å; K148-E151 PolarHBondContact O-N 2.89Å; K148-E152 PolarHBondContact O-N 3.47Å
149	V	98	Very high	98	Very high	62 Å²	62	106.9 Å²	106.9	38%	0.376	51%	0.512	S	S	.	.	H	α-helix	trans	-60.5	-43.8	176.8	174.7	0	0	0	0	111.4	S145 L146 E151 E152 Y153	S145-V149 WeakPolarHBondContact O-CG2 3.29Å; S145-V149 PolarHBondContact O-N 3.06Å; L146-V149 PolarHBondContact O-N 3.15Å; V149-E151 VanDerWaalsContact C-N 3.31Å; V149-E151 PolarHBondContact O-N 2.83Å; V149-E152 WeakPolarHBondContact O-CB 3.45Å; V149-E152 PolarHBondContact O-N 3.29Å; V149-Y153 HydrophobicContact CG1-CD2 3.64Å; V149-Y153 HydrophobicContact CG1-CE2 3.53Å; V149-Y153 VanDerWaalsContact O-CD2 3.29Å; V149-Y153 WeakPolarHBondContact O-CD2 3.46Å; V149-Y153 PolarHBondContact O-N 2.76Å
150	M	97.8	Very high	97.9	Very high	95 Å²	95	106.7 Å²	106.7	47%	0.468	52%	0.516	S	S	.	.	H	α-helix	trans	-58.8	-42.5	176.3	-177.5	-169.7	62.5	0	0	111.7	L146 K147 K148 Y153 K154	L146-M150 WeakPolarHBondContact O-CB 3.46Å; L146-M150 PolarHBondContact O-N 2.92Å; K147-M150 PolarHBondContact O-N 3.46Å; K148-M150 VanDerWaalsContact C-N 3.34Å; K148-M150 PolarHBondContact O-N 3.45Å; M150-Y153 PolarHBondContact O-N 3.16Å; M150-K154 WeakPolarHBondContact O-CG 3.36Å; M150-K154 PolarHBondContact O-N 2.92Å
151	E	97.9	Very high	97.9	Very high	111 Å²	111	100.6 Å²	100.6	52%	0.519	50%	0.499	S	S	.	.	H	α-helix	trans	-66.7	-38.3	178.3	-161.1	58.4	-153.6	0	0	112.1	K147 K148 V149 K154 R155	K147-E151 PolarHBondContact O-N 3.32Å; K147-E151 VanDerWaalsContact O-N 3.08Å; K148-E151 PolarHBondContact O-N 2.89Å; V149-E151 VanDerWaalsContact C-N 3.31Å; V149-E151 PolarHBondContact O-N 2.83Å; E151-K154 PolarHBondContact O-N 2.81Å; E151-K154 IonicContact OE2-NZ 3.66Å; E151-R155 PolarHBondContact O-N 2.82Å
152	E	98	Very high	97.9	Very high	82 Å²	82	104.3 Å²	104.3	38%	0.383	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-42.2	172.2	-72.6	175.9	-167.5	0	0	112.3	K148 V149 R155 K156	K148-E152 PolarHBondContact O-N 3.47Å; V149-E152 WeakPolarHBondContact O-CB 3.45Å; V149-E152 PolarHBondContact O-N 3.29Å; E152-R155 PolarHBondContact O-N 3.06Å; E152-K156 WeakPolarHBondContact O-CG 3.28Å; E152-K156 PolarHBondContact O-N 3.2Å
153	Y	97.8	Very high	97.8	Very high	156 Å²	156	106.3 Å²	106.3	61%	0.612	51%	0.507	S	S	*	.	H	α-helix	trans	-64.3	-42.3	175.1	-87.4	-70.4	0	0	0	112.3	V149 M150 R155 K156 Y157	V149-Y153 HydrophobicContact CG1-CD2 3.64Å; V149-Y153 HydrophobicContact CG1-CE2 3.53Å; V149-Y153 VanDerWaalsContact O-CD2 3.29Å; V149-Y153 WeakPolarHBondContact O-CD2 3.46Å; V149-Y153 PolarHBondContact O-N 2.76Å; M150-Y153 PolarHBondContact O-N 3.16Å; Y153-R155 VanDerWaalsContact C-N 3.32Å; Y153-R155 PolarHBondContact O-N 3.19Å; Y153-K156 PolarHBondContact O-N 3.15Å; Y153-Y157 WeakPolarHBondContact O-CB 3.32Å; Y153-Y157 PolarHBondContact O-N 3.28Å
154	K	98	Very high	97.8	Very high	112 Å²	112	107 Å²	107	49%	0.487	51%	0.511	S	S	.	.	H	α-helix	trans	-58.4	-44.8	174.3	-76.7	179.3	-177.3	174.8	0	111.6	M150 E151 Y157 S158	M150-K154 WeakPolarHBondContact O-CG 3.36Å; M150-K154 PolarHBondContact O-N 2.92Å; E151-K154 PolarHBondContact O-N 2.81Å; E151-K154 IonicContact OE2-NZ 3.66Å; K154-Y157 PolarHBondContact O-N 3.42Å; K154-S158 PolarHBondContact O-N 3.28Å
155	R	97.8	Very high	97.7	Very high	177 Å²	177	109.4 Å²	109.4	67%	0.668	51%	0.513	S	S	*	.	H	α-helix	trans	-60.9	-48.3	177	-167.7	-176.9	72.9	164.5	2.7	111.6	E151 E152 Y153 Y157 S158 E159	E151-R155 PolarHBondContact O-N 2.82Å; E152-R155 PolarHBondContact O-N 3.06Å; Y153-R155 VanDerWaalsContact C-N 3.32Å; Y153-R155 PolarHBondContact O-N 3.19Å; R155-Y157 VanDerWaalsContact C-N 3.32Å; R155-Y157 PolarHBondContact O-N 2.87Å; R155-S158 PolarHBondContact O-N 3.24Å; R155-E159 PolarHBondContact O-N 2.89Å; R155-E159 VanDerWaalsContact O-N 3.08Å
156	K	97.8	Very high	97.6	Very high	106 Å²	106	110.3 Å²	110.3	46%	0.461	51%	0.511	S	S	.	.	H	α-helix	trans	-60.6	-40.9	177	-72.9	175.2	-176.6	173.1	0	112	E152 Y153 E159 V160	E152-K156 WeakPolarHBondContact O-CG 3.28Å; E152-K156 PolarHBondContact O-N 3.2Å; Y153-K156 PolarHBondContact O-N 3.15Å; K156-E159 PolarHBondContact O-N 2.67Å; K156-V160 WeakPolarHBondContact O-CG2 3.43Å; K156-V160 PolarHBondContact O-N 3.35Å
157	Y	97.8	Very high	97.6	Very high	176 Å²	176	113.1 Å²	113.1	69%	0.69	51%	0.513	S	S	*	.	H	α-helix	trans	-61.8	-45.3	177.1	179.2	-94.4	0	0	0	111.6	Y153 K154 R155 E159 V160 S161	Y153-Y157 WeakPolarHBondContact O-CB 3.32Å; Y153-Y157 PolarHBondContact O-N 3.28Å; K154-Y157 PolarHBondContact O-N 3.42Å; R155-Y157 VanDerWaalsContact C-N 3.32Å; R155-Y157 PolarHBondContact O-N 2.87Å; Y157-E159 PolarHBondContact O-N 2.97Å; Y157-V160 PolarHBondContact O-N 3Å; Y157-S161 VanDerWaalsContact O-CB 3.3Å; Y157-S161 WeakPolarHBondContact O-CB 3.44Å; Y157-S161 PolarHBondContact O-N 2.95Å
158	S	97.5	Very high	97.5	Very high	58 Å²	58	110.9 Å²	110.9	41%	0.406	51%	0.508	S	S	.	.	H	α-helix	trans	-58.2	-47	175.6	-162.1	0	0	0	0	111.7	K154 R155 V160 S161 E162	K154-S158 PolarHBondContact O-N 3.28Å; R155-S158 PolarHBondContact O-N 3.24Å; S158-V160 PolarHBondContact O-N 3.47Å; S158-S161 WeakPolarHBondContact O-CB 3.32Å; S158-S161 PolarHBondContact O-N 3.12Å; S158-E162 WeakPolarHBondContact O-CG 3.42Å; S158-E162 PolarHBondContact O-N 3.31Å
159	E	97.4	Very high	97.4	Very high	82 Å²	82	111.4 Å²	111.4	38%	0.383	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-43.4	179.6	-172.3	-174.5	165.5	0	0	112.3	R155 K156 Y157 R163	R155-E159 PolarHBondContact O-N 2.89Å; R155-E159 VanDerWaalsContact O-N 3.08Å; K156-E159 PolarHBondContact O-N 2.67Å; Y157-E159 PolarHBondContact O-N 2.97Å; E159-R163 WeakPolarHBondContact O-CG 3.28Å; E159-R163 PolarHBondContact O-N 3.29Å; E159-R163 VanDerWaalsContact O-N 3.1Å; E159-R163 IonicContact OE1-CZ 3.75Å; E159-R163 VanDerWaalsContact OE1-CZ 3.24Å; E159-R163 IonicContact OE1-NE 3.9Å; E159-R163 IonicContact OE1-NH1 2.66Å; E159-R163 IonicContact OE1-NH2 3.24Å; E159-R163 PolarHBondContact OE1-NH2 3.46Å
160	V	97.4	Very high	97.3	Very high	93 Å²	93	112.2 Å²	112.2	56%	0.564	51%	0.505	S	S	*	.	H	α-helix	trans	-67	-41.7	176.8	172.6	0	0	0	0	111.2	K156 Y157 S158 R163 L164	K156-V160 WeakPolarHBondContact O-CG2 3.43Å; K156-V160 PolarHBondContact O-N 3.35Å; Y157-V160 PolarHBondContact O-N 3Å; S158-V160 PolarHBondContact O-N 3.47Å; V160-R163 PolarHBondContact O-N 3.49Å; V160-L164 WeakPolarHBondContact O-CB 3.44Å; V160-L164 PolarHBondContact O-N 3.34Å
161	S	97.9	Very high	97.3	Very high	37 Å²	37	114.5 Å²	114.5	26%	0.259	51%	0.51	S	S	.	.	H	α-helix	trans	-59.6	-46.6	177.1	-173.8	0	0	0	0	111.6	Y157 S158 R163 L164 M165	Y157-S161 VanDerWaalsContact O-CB 3.3Å; Y157-S161 WeakPolarHBondContact O-CB 3.44Å; Y157-S161 PolarHBondContact O-N 2.95Å; S158-S161 WeakPolarHBondContact O-CB 3.32Å; S158-S161 PolarHBondContact O-N 3.12Å; S161-R163 PolarHBondContact O-N 3.5Å; S161-L164 WeakPolarHBondContact O-CB 3.38Å; S161-L164 PolarHBondContact O-N 3.35Å; S161-M165 WeakPolarHBondContact O-CG 3.35Å; S161-M165 PolarHBondContact O-N 2.89Å
162	E	97.4	Very high	97.2	Very high	122 Å²	122	115.8 Å²	115.8	57%	0.57	52%	0.516	S	S	*	.	H	α-helix	trans	-60.8	-45.5	176.1	-75.9	171.5	-157.9	0	0	112.2	S158 L164 M165 E166	S158-E162 WeakPolarHBondContact O-CG 3.42Å; S158-E162 PolarHBondContact O-N 3.31Å; E162-L164 VanDerWaalsContact C-N 3.31Å; E162-L164 PolarHBondContact O-N 3.45Å; E162-M165 PolarHBondContact O-N 3.32Å; E162-E166 PolarHBondContact O-N 3.28Å
163	R	96.9	Very high	97	Very high	159 Å²	159	119 Å²	119	60%	0.6	53%	0.528	S	S	*	.	H	α-helix	trans	-60.9	-39.5	175.8	-75.1	-179.4	179.9	168.1	8.5	112.4	E159 V160 S161 E166 R167	E159-R163 WeakPolarHBondContact O-CG 3.28Å; E159-R163 PolarHBondContact O-N 3.29Å; E159-R163 VanDerWaalsContact O-N 3.1Å; E159-R163 IonicContact OE1-CZ 3.75Å; E159-R163 VanDerWaalsContact OE1-CZ 3.24Å; E159-R163 IonicContact OE1-NE 3.9Å; E159-R163 IonicContact OE1-NH1 2.66Å; E159-R163 IonicContact OE1-NH2 3.24Å; E159-R163 PolarHBondContact OE1-NH2 3.46Å; V160-R163 PolarHBondContact O-N 3.49Å; S161-R163 PolarHBondContact O-N 3.5Å; R163-E166 PolarHBondContact O-N 3.34Å; R163-R167 WeakPolarHBondContact O-CB 3.38Å; R163-R167 WeakPolarHBondContact O-CG 3.4Å; R163-R167 PolarHBondContact O-N 3.47Å
164	L	97.3	Very high	96.9	Very high	104 Å²	104	117.2 Å²	117.2	55%	0.545	53%	0.529	S	S	.	.	H	α-helix	trans	-65.5	-43.7	177	-178	65	0	0	0	111.2	V160 S161 E162 E166 R167 N168	V160-L164 WeakPolarHBondContact O-CB 3.44Å; V160-L164 PolarHBondContact O-N 3.34Å; S161-L164 WeakPolarHBondContact O-CB 3.38Å; S161-L164 PolarHBondContact O-N 3.35Å; E162-L164 VanDerWaalsContact C-N 3.31Å; E162-L164 PolarHBondContact O-N 3.45Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-E166 PolarHBondContact O-N 3.29Å; L164-R167 PolarHBondContact O-N 3.46Å; L164-N168 PolarHBondContact O-N 3Å
165	M	97.3	Very high	96.8	Very high	112 Å²	112	115.8 Å²	115.8	55%	0.552	52%	0.524	S	S	*	.	H	α-helix	trans	-60.4	-43.9	175.6	-70.5	-171.7	-166.6	0	0	111.8	S161 E162 N168 R169	S161-M165 WeakPolarHBondContact O-CG 3.35Å; S161-M165 PolarHBondContact O-N 2.89Å; E162-M165 PolarHBondContact O-N 3.32Å; M165-N168 PolarHBondContact O-N 3.49Å; M165-R169 WeakPolarHBondContact O-CG 3.49Å; M165-R169 PolarHBondContact O-N 2.89Å
166	E	96.6	Very high	96.6	Very high	83 Å²	83	109 Å²	109	39%	0.388	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-42.5	177	-175.8	55.1	-150.5	0	0	111.7	E162 R163 L164 N168 R169 Q170	E162-E166 PolarHBondContact O-N 3.28Å; R163-E166 PolarHBondContact O-N 3.34Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-E166 PolarHBondContact O-N 3.29Å; E166-N168 PolarHBondContact O-N 3.47Å; E166-R169 WeakPolarHBondContact O-CB 3.49Å; E166-R169 PolarHBondContact O-N 2.99Å; E166-Q170 WeakPolarHBondContact O-CG 3.26Å; E166-Q170 PolarHBondContact O-N 3.09Å; E166-Q170 PolarHBondContact OE1-NE2 2.97Å
167	R	96.1	Very high	96.4	Very high	173 Å²	173	109.5 Å²	109.5	65%	0.653	52%	0.516	S	S	*	.	H	α-helix	trans	-61.7	-42.6	173.9	-80	-61.5	-167.5	-171	6.9	112.7	R163 L164 R169 Q170 Y171	R163-R167 WeakPolarHBondContact O-CB 3.38Å; R163-R167 WeakPolarHBondContact O-CG 3.4Å; R163-R167 PolarHBondContact O-N 3.47Å; L164-R167 PolarHBondContact O-N 3.46Å; R167-R169 VanDerWaalsContact C-N 3.33Å; R167-R169 PolarHBondContact O-N 3.1Å; R167-Q170 PolarHBondContact O-N 3.26Å; R167-Y171 WeakPolarHBondContact O-CB 3.29Å; R167-Y171 PolarHBondContact O-N 2.85Å
168	N	96.3	Very high	96.2	Very high	85 Å²	85	108.3 Å²	108.3	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-61.5	-40.8	175.5	-83.5	-16.8	0	0	0	111.9	L164 M165 E166 Y171 Q172	L164-N168 PolarHBondContact O-N 3Å; M165-N168 PolarHBondContact O-N 3.49Å; E166-N168 PolarHBondContact O-N 3.47Å; N168-Y171 PolarHBondContact O-N 3.31Å; N168-Q172 WeakPolarHBondContact O-CG 3.24Å; N168-Q172 PolarHBondContact O-N 3.16Å
169	R	96.9	Very high	96	Very high	154 Å²	154	108.3 Å²	108.3	58%	0.581	51%	0.507	S	S	*	.	H	α-helix	trans	-62.2	-44.8	174.2	-73.9	176.1	176.9	171.8	-0.4	112.1	M165 E166 R167 Q172 K173	M165-R169 WeakPolarHBondContact O-CG 3.49Å; M165-R169 PolarHBondContact O-N 2.89Å; E166-R169 WeakPolarHBondContact O-CB 3.49Å; E166-R169 PolarHBondContact O-N 2.99Å; R167-R169 VanDerWaalsContact C-N 3.33Å; R167-R169 PolarHBondContact O-N 3.1Å; R169-Q172 PolarHBondContact O-N 2.8Å; R169-K173 WeakPolarHBondContact O-CG 3.33Å; R169-K173 PolarHBondContact O-N 3.05Å; R169-K173 VanDerWaalsContact O-N 3.07Å
170	Q	96.3	Very high	95.7	Very high	79 Å²	79	107.9 Å²	107.9	37%	0.369	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-43.1	176.8	-70.9	175.5	6.2	0	0	111.7	E166 R167 K173 L174	E166-Q170 WeakPolarHBondContact O-CG 3.26Å; E166-Q170 PolarHBondContact O-N 3.09Å; E166-Q170 PolarHBondContact OE1-NE2 2.97Å; R167-Q170 PolarHBondContact O-N 3.26Å; Q170-K173 PolarHBondContact O-N 3.01Å; Q170-L174 PolarHBondContact O-N 3.4Å
171	Y	96.4	Very high	95.4	Very high	143 Å²	143	108.6 Å²	108.6	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-60.1	-47.9	176.3	180	-99.8	0	0	0	111.6	R167 N168 K173 L174 Q175	R167-Y171 WeakPolarHBondContact O-CB 3.29Å; R167-Y171 PolarHBondContact O-N 2.85Å; N168-Y171 PolarHBondContact O-N 3.31Å; Y171-K173 VanDerWaalsContact C-N 3.33Å; Y171-K173 PolarHBondContact O-N 2.98Å; Y171-L174 PolarHBondContact O-N 2.63Å; Y171-L174 VanDerWaalsContact O-N 3.15Å; Y171-Q175 WeakPolarHBondContact O-CB 3.49Å; Y171-Q175 PolarHBondContact O-N 3.38Å; Y171-Q175 PolarHBondContact OH-OE1 3.11Å
172	Q	95.6	Very high	95	Very high	138 Å²	138	113 Å²	113	65%	0.645	52%	0.524	S	S	*	.	H	α-helix	trans	-58.9	-41.5	176.3	-74.8	174.8	-4.9	0	0	112.7	N168 R169 Q175 G176	N168-Q172 WeakPolarHBondContact O-CG 3.24Å; N168-Q172 PolarHBondContact O-N 3.16Å; R169-Q172 PolarHBondContact O-N 2.8Å; Q172-Q175 PolarHBondContact O-N 2.87Å; Q172-G176 PolarHBondContact O-N 3.14Å
173	K	95.3	Very high	94.4	Very high	149 Å²	149	112.3 Å²	112.3	65%	0.648	52%	0.524	S	S	*	.	H	α-helix	trans	-61.2	-46.4	174.2	-73.2	176.4	-178.6	178.1	0	111.6	R169 Q170 Y171 G176 L177	R169-K173 WeakPolarHBondContact O-CG 3.33Å; R169-K173 PolarHBondContact O-N 3.05Å; R169-K173 VanDerWaalsContact O-N 3.07Å; Q170-K173 PolarHBondContact O-N 3.01Å; Y171-K173 VanDerWaalsContact C-N 3.33Å; Y171-K173 PolarHBondContact O-N 2.98Å; K173-G176 PolarHBondContact O-N 3.42Å; K173-L177 WeakPolarHBondContact O-CG 3.37Å; K173-L177 PolarHBondContact O-N 2.94Å
174	L	95.4	Very high	93.7	Very high	119 Å²	119	113.7 Å²	113.7	62%	0.623	53%	0.529	S	S	*	.	H	α-helix	trans	-65.2	-41.3	-179.6	-160.5	75.3	0	0	0	111.6	Q170 Y171 L177 Y178	Q170-L174 PolarHBondContact O-N 3.4Å; Y171-L174 PolarHBondContact O-N 2.63Å; Y171-L174 VanDerWaalsContact O-N 3.15Å; L174-L177 PolarHBondContact O-N 3.05Å; L174-Y178 WeakPolarHBondContact O-CB 3.3Å; L174-Y178 PolarHBondContact O-N 3.47Å
175	Q	94.9	Very high	92.6	Very high	82 Å²	82	113.5 Å²	113.5	38%	0.383	53%	0.528	S	S	.	.	H	α-helix	trans	-56.7	-50.5	173.4	-167.3	96.6	1.4	0	0	110.7	Y171 Q172 L177 Y178 D179	Y171-Q175 WeakPolarHBondContact O-CB 3.49Å; Y171-Q175 PolarHBondContact O-N 3.38Å; Y171-Q175 PolarHBondContact OH-OE1 3.11Å; Q172-Q175 PolarHBondContact O-N 2.87Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; Q175-L177 PolarHBondContact O-N 3.17Å; Q175-Y178 WeakPolarHBondContact O-CB 3.01Å; Q175-Y178 PolarHBondContact O-N 2.91Å; Q175-Y178 VanDerWaalsContact O-N 3.16Å; Q175-D179 PolarHBondContact O-N 3.3Å
176	G	93.8	Very high	91.4	Very high	34 Å²	34	114.1 Å²	114.1	35%	0.351	53%	0.532	S	S	.	.	H	α-helix	trans	-61.6	-38.9	178.7	0	0	0	0	0	113.3	Q172 K173 S180	Q172-G176 PolarHBondContact O-N 3.14Å; K173-G176 PolarHBondContact O-N 3.42Å; G176-S180 WeakPolarHBondContact O-CB 3.3Å; G176-S180 PolarHBondContact O-N 2.87Å; G176-S180 PolarHBondContact O-OG 3.04Å
177	L	94.3	Very high	89.9	Confident	117 Å²	117	115.2 Å²	115.2	61%	0.613	54%	0.543	S	S	*	.	H	α-helix	trans	-64.1	-45	173.1	-73	171.1	0	0	0	111.8	K173 L174 Q175 S180 L181	K173-L177 WeakPolarHBondContact O-CG 3.37Å; K173-L177 PolarHBondContact O-N 2.94Å; L174-L177 PolarHBondContact O-N 3.05Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; Q175-L177 PolarHBondContact O-N 3.17Å; L177-S180 WeakPolarHBondContact O-CB 3.34Å; L177-S180 PolarHBondContact O-N 3.03Å; L177-L181 WeakPolarHBondContact O-CB 3.31Å; L177-L181 PolarHBondContact O-N 3.04Å
178	Y	94.1	Very high	88.2	Confident	152 Å²	152	111 Å²	111	60%	0.596	54%	0.537	S	S	*	.	H	α-helix	trans	-61.1	-47	177.8	177.6	-95.3	0	0	0	111.7	L174 Q175 S180 L181 R182	L174-Y178 WeakPolarHBondContact O-CB 3.3Å; L174-Y178 PolarHBondContact O-N 3.47Å; Q175-Y178 WeakPolarHBondContact O-CB 3.01Å; Q175-Y178 PolarHBondContact O-N 2.91Å; Q175-Y178 VanDerWaalsContact O-N 3.16Å; Y178-S180 VanDerWaalsContact C-N 3.31Å; Y178-S180 PolarHBondContact O-N 2.96Å; Y178-L181 PolarHBondContact O-N 3.16Å; Y178-R182 WeakPolarHBondContact O-CB 3.13Å; Y178-R182 PolarHBondContact O-N 3.49Å
179	D	92.7	Very high	86.2	Confident	57 Å²	57	108.5 Å²	108.5	31%	0.305	53%	0.531	S	S	.	.	H	α-helix	trans	-60.9	-41.4	177.7	-71.9	-29.1	0	0	0	111.5	Q175 L181 R182 L183	Q175-D179 PolarHBondContact O-N 3.3Å; D179-L181 PolarHBondContact O-N 3.49Å; D179-R182 PolarHBondContact O-N 2.98Å; D179-L183 WeakPolarHBondContact O-CB 3.22Å; D179-L183 PolarHBondContact O-N 3.25Å
180	S	91.6	Very high	83.9	Confident	74 Å²	74	103.8 Å²	103.8	52%	0.517	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-43	174.9	-58.7	0	0	0	0	112.1	G176 L177 Y178 L183 R184	G176-S180 WeakPolarHBondContact O-CB 3.3Å; G176-S180 PolarHBondContact O-N 2.87Å; G176-S180 PolarHBondContact O-OG 3.04Å; L177-S180 WeakPolarHBondContact O-CB 3.34Å; L177-S180 PolarHBondContact O-N 3.03Å; Y178-S180 VanDerWaalsContact C-N 3.31Å; Y178-S180 PolarHBondContact O-N 2.96Å; S180-L183 PolarHBondContact O-N 3.25Å; S180-R184 WeakPolarHBondContact O-CB 3.33Å; S180-R184 PolarHBondContact O-N 3.17Å
181	L	90.1	Very high	81.5	Confident	107 Å²	107	102.3 Å²	102.3	56%	0.56	53%	0.531	S	S	*	.	H	α-helix	trans	-69	-38.5	179.4	-146	126.6	0	0	0	111.4	L177 Y178 D179 R184 N185	L177-L181 WeakPolarHBondContact O-CB 3.31Å; L177-L181 PolarHBondContact O-N 3.04Å; Y178-L181 PolarHBondContact O-N 3.16Å; D179-L181 PolarHBondContact O-N 3.49Å; L181-R184 PolarHBondContact O-N 3.46Å; L181-N185 PolarHBondContact O-N 3.06Å
182	R	90.4	Very high	79.1	Confident	130 Å²	130	103.1 Å²	103.1	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-61.5	-47.5	173.9	-166.7	-176.3	82.7	-174.8	2.7	111.5	Y178 D179 N185 M186	Y178-R182 WeakPolarHBondContact O-CB 3.13Å; Y178-R182 PolarHBondContact O-N 3.49Å; D179-R182 PolarHBondContact O-N 2.98Å; R182-N185 PolarHBondContact O-N 3.35Å; R182-M186 WeakPolarHBondContact O-CG 3.47Å; R182-M186 PolarHBondContact O-N 3.45Å
183	L	85.1	Confident	76.8	Confident	108 Å²	108	107.2 Å²	107.2	57%	0.565	55%	0.55	S	S	*	.	H	α-helix	trans	-58.3	-46	174.5	-88.8	153.1	0	0	0	111.4	D179 S180 N185 M186 V187	D179-L183 WeakPolarHBondContact O-CB 3.22Å; D179-L183 PolarHBondContact O-N 3.25Å; S180-L183 PolarHBondContact O-N 3.25Å; L183-N185 PolarHBondContact O-N 2.87Å; L183-M186 PolarHBondContact O-N 3.46Å; L183-V187 WeakPolarHBondContact O-CG2 3.38Å; L183-V187 PolarHBondContact O-N 3.36Å; L183-V187 VanDerWaalsContact O-N 3.1Å
184	R	80.9	Confident	74.3	Confident	188 Å²	188	108 Å²	108	71%	0.709	56%	0.556	S	S	*	*	H	α-helix	trans	-61.5	-44.2	178.2	-168	177	-174.2	176.2	1.6	112.5	S180 L181 V187 V188	S180-R184 WeakPolarHBondContact O-CB 3.33Å; S180-R184 PolarHBondContact O-N 3.17Å; L181-R184 PolarHBondContact O-N 3.46Å; R184-V187 PolarHBondContact O-N 3.12Å; R184-V188 WeakPolarHBondContact O-CG2 3.45Å; R184-V188 PolarHBondContact O-N 2.87Å
185	N	75.3	Confident	71.6	Confident	99 Å²	99	108 Å²	108	53%	0.529	56%	0.56	S	S	.	*	H	α-helix	trans	-69.4	-31.4	178.3	-74.1	-10.8	0	0	0	113	L181 R182 L183 V188 G189	L181-N185 PolarHBondContact O-N 3.06Å; R182-N185 PolarHBondContact O-N 3.35Å; L183-N185 PolarHBondContact O-N 2.87Å; N185-V188 PolarHBondContact O-N 3.12Å; N185-G189 PolarHBondContact O-N 3.41Å
186	M	71.9	Confident	69.1	Low	126 Å²	126	109.9 Å²	109.9	62%	0.621	58%	0.58	S	S	*	*	H	α-helix	trans	-64.8	-38.6	171.2	-78.4	178.3	148	0	0	112.1	R182 L183 A190	R182-M186 WeakPolarHBondContact O-CG 3.47Å; R182-M186 PolarHBondContact O-N 3.45Å; L183-M186 PolarHBondContact O-N 3.46Å; M186-A190 WeakPolarHBondContact O-CB 3.37Å; M186-A190 PolarHBondContact O-N 3.28Å; M186-A190 VanDerWaalsContact O-N 3.15Å
187	V	64.8	Low	66.9	Low	105 Å²	105	116.7 Å²	116.7	64%	0.636	61%	0.607	S	S	*	*	H	α-helix	trans	-68.7	-40.9	175.7	173.8	0	0	0	0	111.4	L183 R184 A190 G191	L183-V187 WeakPolarHBondContact O-CG2 3.38Å; L183-V187 PolarHBondContact O-N 3.36Å; L183-V187 VanDerWaalsContact O-N 3.1Å; R184-V187 PolarHBondContact O-N 3.12Å; V187-A190 PolarHBondContact O-N 2.65Å; V187-G191 PolarHBondContact O-N 2.71Å
188	V	59.6	Low	64.2	Low	84 Å²	84	123 Å²	123	51%	0.509	64%	0.641	S	S	.	*	H	α-helix	trans	-69.7	-40.1	177.5	175.2	0	0	0	0	112	R184 N185 A190 G191 E192	R184-V188 WeakPolarHBondContact O-CG2 3.45Å; R184-V188 PolarHBondContact O-N 2.87Å; N185-V188 PolarHBondContact O-N 3.12Å; V188-A190 VanDerWaalsContact C-N 3.29Å; V188-A190 PolarHBondContact O-N 2.74Å; V188-G191 PolarHBondContact O-N 3.06Å; V188-E192 PolarHBondContact O-N 2.87Å
189	G	54.3	Low	62.7	Low	33 Å²	33	121.6 Å²	121.6	34%	0.34	64%	0.643	S	S	.	*	H	α-helix	trans	-71.8	-17.3	176.3	0	0	0	0	0	114.9	N185	N185-G189 PolarHBondContact O-N 3.41Å
190	A	49.7	Very low	61.2	Low	56 Å²	56	125 Å²	125	46%	0.463	66%	0.661	S	S	.	*	H	α-helix	trans	-79.3	-33.9	168.1	0	0	0	0	0	111.8	M186 V187 V188 E192 R193	M186-A190 WeakPolarHBondContact O-CB 3.37Å; M186-A190 PolarHBondContact O-N 3.28Å; M186-A190 VanDerWaalsContact O-N 3.15Å; V187-A190 PolarHBondContact O-N 2.65Å; V188-A190 VanDerWaalsContact C-N 3.29Å; V188-A190 PolarHBondContact O-N 2.74Å; A190-E192 VanDerWaalsContact C-N 3.32Å; A190-E192 PolarHBondContact O-N 3.46Å; A190-R193 PolarHBondContact O-N 3Å
191	G	46.3	Very low	59.5	Low	48 Å²	48	127.8 Å²	127.8	50%	0.495	67%	0.669	S	S	.	*	H	α-helix	trans	-66.1	-27	176.3	0	0	0	0	0	114.6	V187 V188 R193	V187-G191 PolarHBondContact O-N 2.71Å; V188-G191 PolarHBondContact O-N 3.06Å; G191-R193 VanDerWaalsContact C-N 3.35Å
192	E	44.7	Very low	57.7	Low	159 Å²	159	129.1 Å²	129.1	74%	0.743	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-9.1	174.4	-71.5	-175.1	160.7	0	0	113.8	V188 A190	V188-E192 PolarHBondContact O-N 2.87Å; A190-E192 VanDerWaalsContact C-N 3.32Å; A190-E192 PolarHBondContact O-N 3.46Å
193	R	46.8	Very low	55.6	Low	225 Å²	225	129 Å²	129	85%	0.849	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-1.5	177.2	-69.3	-174.9	-174.7	-174	1.6	113.9	A190 G191	A190-R193 PolarHBondContact O-N 3Å; G191-R193 VanDerWaalsContact C-N 3.35Å
194	E	43.2	Very low	53.7	Low	166 Å²	166	130.4 Å²	130.4	78%	0.776	70%	0.695	S	S	*	*	S	Bend	trans	-116.4	33.5	-178.5	-75.6	-170.2	161.4	0	0	114.4
195	T	39.6	Very low	51.7	Low	117 Å²	117	126.3 Å²	126.3	72%	0.718	69%	0.694	S	S	*	*			trans	-116.1	101.9	160.7	46.3	0	0	0	0	110.6
196	P	42.7	Very low	49.9	Very low	122 Å²	122	128.4 Å²	128.4	79%	0.792	71%	0.706	S	S	*	*			trans	-69.9	136.3	167.8	-9.7	25.9	0	0	0	110.1	L198	P196-L198 PolarHBondContact O-N 3.19Å
197	L	47.1	Very low	48.1	Very low	177 Å²	177	128.6 Å²	128.6	93%	0.927	71%	0.713	S	S	*	*			trans	-49.3	123.2	166.6	-72.9	156.1	0	0	0	110.8
198	L	38.3	Very low	46.6	Very low	251 Å²	251	130.7 Å²	130.7	100%	1.314	72%	0.721	S	S	*	*			trans	-156.1	0	144.7	-95.2	170.7	0	0	0	108.9	P196	P196-L198 PolarHBondContact O-N 3.19Å

Retrieved 198 of 198 residues in 361.2 ms (Link to these results)

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