A0A077ZQH3_TRITR Loading...

Nickase

AlphaFold DB , UniProt , Accession A0A077ZQH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 114 aa.

						>A0A077ZQH3_TRITR|A0A077ZQH3
MAIYHLSMKIISRSSGYSAVASAAYRSGSLMLDERTGLTHDYTRKSGVAEAVILTPATAPAWCTNRAELWNAVEKAERRKNSQLAREIELAIPHELPQDAARETVLAFVRENFV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	56	Low	87.6	Confident	208 Å²	208	99.4 Å²	99.4	100%	1.025	49%	0.49	S	S	*	.				0	102.7	0	-172.5	174	-85.5	0	0	108.6	I3 E95	M1-I3 PolarHBondContact O-N 3.41Å; M1-E95 PolarHBondContact N-OE1 2.92Å
2	A	65.1	Low	88.4	Confident	46 Å²	46	92.3 Å²	92.3	38%	0.38	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-65.1	125.4	170.6	0	0	0	0	0	109.7	P93	A2-P93 HydrophobicContact CB-CB 4.09Å; A2-P93 HydrophobicContact CB-CG 4.17Å
3	I	79.9	Confident	89.1	Confident	149 Å²	149	87.9 Å²	87.9	76%	0.764	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-73.3	127.2	166.2	-61.8	172.5	0	0	0	106.1	M1 H5	M1-I3 PolarHBondContact O-N 3.41Å; I3-H5 PolarHBondContact O-N 3.33Å; I3-H5 VanDerWaalsContact O-N 3.16Å
4	Y	88.2	Confident	89.7	Confident	187 Å²	187	87.4 Å²	87.4	73%	0.733	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-54.7	121.9	174	168.6	-98	0	0	0	109.8	L6	Y4-L6 HydrophobicContact CE2-CB 4.07Å
5	H	93.2	Very high	90.2	Very high	82 Å²	82	86.7 Å²	86.7	38%	0.38	45%	0.448	S	S	.	.			trans	-138	117.5	170.7	-174.3	77.4	0	0	0	108.9	I3 E89 L90 A91	I3-H5 PolarHBondContact O-N 3.33Å; I3-H5 VanDerWaalsContact O-N 3.16Å; H5-E89 IonicContact NE2-OE2 3.59Å; H5-L90 WeakPolarHBondContact O-CA 3.22Å; H5-A91 HydrophobicContact CB-CB 3.83Å; H5-A91 PolarHBondContact O-N 3.07Å
6	L	94.2	Very high	90.5	Very high	91 Å²	91	85.7 Å²	85.7	48%	0.476	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	122.8	168.7	176.5	66.9	0	0	0	106.9	Y4 I88 E89 L90	Y4-L6 HydrophobicContact CE2-CB 4.07Å; L6-I88 HydrophobicContact CD1-CG2 3.95Å; L6-E89 CarbonylContact C-O 3.56Å; L6-E89 VanDerWaalsContact CA-O 3.31Å; L6-E89 WeakPolarHBondContact CA-O 3.33Å; L6-L90 HydrophobicContact CD1-CB 4.1Å
7	S	96.7	Very high	90.9	Very high	26 Å²	26	88.1 Å²	88.1	18%	0.182	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.2	173.6	83.8	0	0	0	0	111.1	I88 E89	S7-I88 WeakPolarHBondContact O-CA 3.47Å; S7-E89 PolarHBondContact N-O 2.96Å; S7-E89 PolarHBondContact O-N 3.33Å
8	M	96.9	Very high	91.3	Very high	130 Å²	130	83.8 Å²	83.8	64%	0.64	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.7	173.8	-175.9	177.5	64.9	0	0	109.4	E87 I88	M8-E87 CarbonylContact C-O 3.55Å; M8-E87 WeakPolarHBondContact CA-O 3.28Å; M8-E87 WeakPolarHBondContact CG-O 3.38Å; M8-I88 HydrophobicContact CG-CG1 4.19Å
9	K	97	Very high	91.7	Very high	105 Å²	105	79.5 Å²	79.5	46%	0.457	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.3	-178.3	-61.2	172.3	-166.8	152.6	0	110.4	R86 E87 E89	K9-R86 WeakPolarHBondContact O-CA 3.31Å; K9-E87 HydrophobicContact CB-CB 4.49Å; K9-E87 PolarHBondContact N-O 2.73Å; K9-E87 PolarHBondContact O-N 2.68Å; K9-E89 IonicContact NZ-OE2 3.76Å
10	I	98.1	Very high	92	Very high	55 Å²	55	75.5 Å²	75.5	28%	0.282	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.6	175.2	-57.9	-67.9	0	0	0	109.3	S12 Q83 R86	I10-S12 PolarHBondContact O-N 2.91Å; I10-S12 VanDerWaalsContact O-N 3.11Å; I10-Q83 HydrophobicContact CG2-CB 3.71Å; I10-Q83 HydrophobicContact CG2-CG 3.68Å; I10-R86 HydrophobicContact CD1-CG 3.66Å
11	I	98	Very high	92.3	Very high	14 Å²	14	72.8 Å²	72.8	7%	0.072	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	91.2	166.5	-61.9	171.1	0	0	0	106.3	Y17 L84 A85	I11-Y17 HydrophobicContact CG2-CG 4.42Å; I11-L84 HydrophobicContact CG2-CB 4.44Å; I11-L84 HydrophobicContact CG2-CD1 4.45Å; I11-L84 WeakPolarHBondContact O-CB 3.22Å; I11-L84 PolarHBondContact O-N 3.48Å; I11-A85 HydrophobicContact CB-CB 4.18Å; I11-A85 HydrophobicContact CD1-CB 3.97Å; I11-A85 HydrophobicContact CG1-CB 4.5Å; I11-A85 PolarHBondContact N-O 2.79Å; I11-A85 PolarHBondContact O-N 3.03Å
12	S	98	Very high	94.3	Very high	15 Å²	15	63.5 Å²	63.5	11%	0.105	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.6	-178.4	57.8	0	0	0	0	112.1	I10 S14 S15 Y17 S82	I10-S12 PolarHBondContact O-N 2.91Å; I10-S12 VanDerWaalsContact O-N 3.11Å; S12-S14 VanDerWaalsContact C-N 3.32Å; S12-S14 PolarHBondContact O-N 2.85Å; S12-S15 PolarHBondContact O-N 3.29Å; S12-S15 WeakPolarHBondContact OG-CB 3.39Å; S12-S15 PolarHBondContact OG-OG 3.41Å; S12-Y17 WeakPolarHBondContact O-CB 3.37Å; S12-Y17 PolarHBondContact O-N 3.24Å; S12-S82 WeakPolarHBondContact CA-O 3.42Å
13	R	97.4	Very high	95.9	Very high	35 Å²	35	61.8 Å²	61.8	13%	0.132	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-62.5	-38.9	178.4	-175.8	178.4	-66.7	148.8	-7.7	112.6	S15 G16 E74 E77 R79 K80 S82 L84	R13-S15 PolarHBondContact O-N 3.21Å; R13-G16 PolarHBondContact O-N 3.23Å; R13-E74 IonicContact CZ-OE2 3.66Å; R13-E74 IonicContact NE-OE2 3.62Å; R13-E74 PolarHBondContact NH2-O 3.01Å; R13-E74 IonicContact NH2-OE2 2.71Å; R13-E74 PolarHBondContact NH2-OE2 3.41Å; R13-E77 PolarHBondContact NH1-O 2.99Å; R13-E77 PolarHBondContact NH2-O 3.1Å; R13-R79 PolarHBondContact NH1-O 2.99Å; R13-K80 WeakPolarHBondContact CG-O 3.36Å; R13-S82 PolarHBondContact N-O 2.96Å; R13-L84 HydrophobicContact CB-CD1 4.31Å
14	S	97.1	Very high	96.8	Very high	80 Å²	80	54.7 Å²	54.7	56%	0.559	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66.3	-20.9	-179.9	49.5	0	0	0	0	113.5	S12 K80	S12-S14 VanDerWaalsContact C-N 3.32Å; S12-S14 PolarHBondContact O-N 2.85Å; S14-K80 PolarHBondContact N-O 3.13Å
15	S	96.9	Very high	97.3	Very high	77 Å²	77	51.3 Å²	51.3	54%	0.538	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-88.4	9.1	173.7	-51	0	0	0	0	112.5	S12 R13	S12-S15 PolarHBondContact O-N 3.29Å; S12-S15 WeakPolarHBondContact OG-CB 3.39Å; S12-S15 PolarHBondContact OG-OG 3.41Å; R13-S15 PolarHBondContact O-N 3.21Å
16	G	95.8	Very high	97.5	Very high	71 Å²	71	52.1 Å²	52.1	73%	0.732	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	7.2	-179.9	0	0	0	0	0	114.7	R13	R13-G16 PolarHBondContact O-N 3.23Å
17	Y	97.2	Very high	97.7	Very high	127 Å²	127	48.4 Å²	48.4	50%	0.498	26%	0.263	S	S	.	.			trans	-81.1	149.5	177.8	-63	-66	0	0	0	112.5	I11 S12	I11-Y17 HydrophobicContact CG2-CG 4.42Å; S12-Y17 WeakPolarHBondContact O-CB 3.37Å; S12-Y17 PolarHBondContact O-N 3.24Å
18	S	97.8	Very high	97.8	Very high	10 Å²	10	48 Å²	48	7%	0.07	26%	0.263	C	S	.	.			trans	-116.5	138.9	166.6	155.8	0	0	0	0	108.9	V20 A21 S22 D33 E74	S18-V20 VanDerWaalsContact C-N 3.3Å; S18-V20 PolarHBondContact OG-N 3.07Å; S18-V20 VanDerWaalsContact OG-N 3.15Å; S18-A21 PolarHBondContact OG-N 3.32Å; S18-S22 WeakPolarHBondContact O-CB 3.46Å; S18-S22 PolarHBondContact O-N 2.97Å; S18-S22 PolarHBondContact O-OG 3.08Å; S18-D33 WeakPolarHBondContact CB-OD2 3.14Å; S18-D33 PolarHBondContact OG-OD2 3.38Å; S18-E74 VanDerWaalsContact CA-OE1 3.25Å; S18-E74 WeakPolarHBondContact CA-OE1 3.49Å; S18-E74 PolarHBondContact OG-OE1 2.75Å
19	A	98.3	Very high	97.9	Very high	2 Å²	2	43 Å²	43	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-37.7	173.9	0	0	0	0	0	110.9	S22 A23 W70 V73 E74 L84	A19-S22 WeakPolarHBondContact O-CB 3.5Å; A19-S22 PolarHBondContact O-N 2.74Å; A19-A23 VanDerWaalsContact O-CB 3.32Å; A19-A23 WeakPolarHBondContact O-CB 3.42Å; A19-A23 PolarHBondContact O-N 3.24Å; A19-W70 HydrophobicContact CB-CE3 3.86Å; A19-V73 HydrophobicContact CB-CG1 4.37Å; A19-E74 HydrophobicContact CB-CG 4.15Å; A19-E74 PolarHBondContact N-OE1 3.2Å; A19-L84 HydrophobicContact CB-CB 3.97Å; A19-L84 HydrophobicContact CB-CD1 4.18Å
20	V	98.7	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-48.5	178.2	178.1	0	0	0	0	110.6	S18 S22 A23 A24 M31 D33 W70 N71 E74	S18-V20 VanDerWaalsContact C-N 3.3Å; S18-V20 PolarHBondContact OG-N 3.07Å; S18-V20 VanDerWaalsContact OG-N 3.15Å; V20-S22 VanDerWaalsContact C-N 3.28Å; V20-S22 PolarHBondContact O-N 2.87Å; V20-A23 PolarHBondContact O-N 3.29Å; V20-A24 WeakPolarHBondContact O-CB 3.34Å; V20-A24 PolarHBondContact O-N 2.61Å; V20-M31 HydrophobicContact CB-CE 4.46Å; V20-M31 HydrophobicContact CG1-CB 3.79Å; V20-M31 HydrophobicContact CG1-CE 3.78Å; V20-D33 HydrophobicContact CB-CB 3.95Å; V20-D33 HydrophobicContact CG1-CB 3.9Å; V20-D33 HydrophobicContact CG2-CB 4.39Å; V20-W70 HydrophobicContact CG2-CB 4.1Å; V20-N71 WeakPolarHBondContact CG2-OD1 3.46Å; V20-E74 HydrophobicContact CG2-CG 4.05Å
21	A	98.4	Very high	97.9	Very high	18 Å²	18	40.5 Å²	40.5	15%	0.149	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-43.2	175.5	0	0	0	0	0	111.6	S18 A24 Y25	S18-A21 PolarHBondContact OG-N 3.32Å; A21-A24 PolarHBondContact O-N 3.05Å; A21-Y25 WeakPolarHBondContact O-CB 3.47Å; A21-Y25 PolarHBondContact O-N 3.42Å
22	S	98.3	Very high	98	Very high	13 Å²	13	43.8 Å²	43.8	9%	0.091	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-43.3	178.7	-71.9	0	0	0	0	112.4	S18 A19 V20 R26	S18-S22 WeakPolarHBondContact O-CB 3.46Å; S18-S22 PolarHBondContact O-N 2.97Å; S18-S22 PolarHBondContact O-OG 3.08Å; A19-S22 WeakPolarHBondContact O-CB 3.5Å; A19-S22 PolarHBondContact O-N 2.74Å; V20-S22 VanDerWaalsContact C-N 3.28Å; V20-S22 PolarHBondContact O-N 2.87Å; S22-R26 VanDerWaalsContact C-NH1 3.3Å; S22-R26 VanDerWaalsContact CA-NH1 3.25Å; S22-R26 WeakPolarHBondContact O-CG 3.46Å; S22-R26 PolarHBondContact O-N 2.91Å; S22-R26 PolarHBondContact O-NH1 3.46Å
23	A	98.5	Very high	98	Very high	10 Å²	10	43.1 Å²	43.1	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-44.3	177.5	0	0	0	0	0	112	A19 V20 Y25 R26 S27 M31 R66 W70	A19-A23 VanDerWaalsContact O-CB 3.32Å; A19-A23 WeakPolarHBondContact O-CB 3.42Å; A19-A23 PolarHBondContact O-N 3.24Å; V20-A23 PolarHBondContact O-N 3.29Å; A23-Y25 VanDerWaalsContact C-N 3.33Å; A23-Y25 PolarHBondContact O-N 2.75Å; A23-R26 PolarHBondContact O-N 2.83Å; A23-S27 WeakPolarHBondContact O-CB 3.46Å; A23-S27 PolarHBondContact O-N 3.28Å; A23-S27 PolarHBondContact O-OG 3.03Å; A23-M31 HydrophobicContact CB-CE 4.06Å; A23-M31 HydrophobicContact CB-SD 4.14Å; A23-R66 HydrophobicContact CB-CG 4.41Å; A23-W70 HydrophobicContact CB-CB 4.27Å; A23-W70 HydrophobicContact CB-CD2 3.99Å; A23-W70 HydrophobicContact CB-CG 3.54Å; A23-W70 VanDerWaalsContact CB-NE1 3.29Å
24	A	98.6	Very high	98.1	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-45.2	177.8	0	0	0	0	0	111.2	V20 A21 S27 G28 S29 M31 H40 Y42	V20-A24 WeakPolarHBondContact O-CB 3.34Å; V20-A24 PolarHBondContact O-N 2.61Å; A21-A24 PolarHBondContact O-N 3.05Å; A24-S27 PolarHBondContact O-OG 3.06Å; A24-G28 PolarHBondContact O-N 2.84Å; A24-S29 PolarHBondContact O-N 3.15Å; A24-M31 HydrophobicContact CB-CB 4.06Å; A24-M31 HydrophobicContact CB-CG 4.15Å; A24-M31 HydrophobicContact CB-SD 3.98Å; A24-H40 HydrophobicContact CB-CB 3.86Å; A24-Y42 HydrophobicContact CB-CD2 3.78Å; A24-Y42 HydrophobicContact CB-CE2 4.2Å
25	Y	98.3	Very high	98	Very high	117 Å²	117	49.7 Å²	49.7	46%	0.459	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-49.1	178.8	179.2	-103.3	0	0	0	112.8	A21 A23 S27 G28 Y42 K45	A21-Y25 WeakPolarHBondContact O-CB 3.47Å; A21-Y25 PolarHBondContact O-N 3.42Å; A23-Y25 VanDerWaalsContact C-N 3.33Å; A23-Y25 PolarHBondContact O-N 2.75Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 2.99Å; Y25-G28 PolarHBondContact O-N 3.34Å; Y25-Y42 VanDerWaalsContact CA-CD2 3.45Å; Y25-Y42 AromaticContact CD2-CD1 3.76Å; Y25-Y42 HydrophobicContact CD2-CD1 3.76Å; Y25-Y42 AromaticContact CD2-CE1 3.57Å; Y25-Y42 HydrophobicContact CD2-CE1 3.57Å; Y25-Y42 HydrophobicContact CD2-CE2 4.41Å; Y25-Y42 HydrophobicContact CD2-CG 4.27Å; Y25-Y42 AromaticContact CD2-CZ 3.9Å; Y25-Y42 HydrophobicContact CE2-CE1 4.36Å; Y25-Y42 VanDerWaalsContact N-CD2 3.32Å; Y25-K45 HydrophobicContact CD2-CD 4.31Å; Y25-K45 HydrophobicContact CE2-CD 4.19Å; Y25-K45 WeakPolarHBondContact O-CD 3.36Å
26	R	97.6	Very high	98	Very high	99 Å²	99	48.9 Å²	48.9	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-70.7	-30.8	-176.4	-70.6	175.4	-172.5	74	-2.3	112.8	S22 A23 E87	S22-R26 VanDerWaalsContact C-NH1 3.3Å; S22-R26 VanDerWaalsContact CA-NH1 3.25Å; S22-R26 WeakPolarHBondContact O-CG 3.46Å; S22-R26 PolarHBondContact O-N 2.91Å; S22-R26 PolarHBondContact O-NH1 3.46Å; A23-R26 PolarHBondContact O-N 2.83Å; R26-E87 IonicContact CZ-OE2 3.94Å; R26-E87 IonicContact NE-OE2 2.61Å; R26-E87 PolarHBondContact NE-OE2 2.81Å; R26-E87 IonicContact NH2-OE1 3.03Å; R26-E87 PolarHBondContact NH2-OE1 2.71Å; R26-E87 IonicContact NH2-OE2 2.83Å; R26-E87 PolarHBondContact NH2-OE2 3.01Å
27	S	98.3	Very high	98.1	Very high	13 Å²	13	48 Å²	48	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-92.2	-2.1	178.4	62.2	0	0	0	0	114.6	A23 A24 Y25 S29 R66	A23-S27 WeakPolarHBondContact O-CB 3.46Å; A23-S27 PolarHBondContact O-N 3.28Å; A23-S27 PolarHBondContact O-OG 3.03Å; A24-S27 PolarHBondContact O-OG 3.06Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 2.99Å; S27-S29 PolarHBondContact O-N 2.83Å; S27-S29 PolarHBondContact O-OG 3.36Å; S27-S29 WeakPolarHBondContact OG-CB 3.35Å; S27-S29 PolarHBondContact OG-OG 3.48Å; S27-S29 VanDerWaalsContact OG-OG 3.1Å; S27-R66 WeakPolarHBondContact OG-CD 3.36Å
28	G	98.3	Very high	98.2	Very high	18 Å²	18	46.9 Å²	46.9	19%	0.186	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	35.5	-175.3	0	0	0	0	0	113	A24 Y25 Y42	A24-G28 PolarHBondContact O-N 2.84Å; Y25-G28 PolarHBondContact O-N 3.34Å; G28-Y42 CarbonylContact C-O 3.39Å; G28-Y42 WeakPolarHBondContact CA-O 3.12Å
29	S	98.3	Very high	98.2	Very high	25 Å²	25	50.4 Å²	50.4	18%	0.175	27%	0.27	C	S	.	.			trans	-109.9	166.3	-172	-65.7	0	0	0	0	112.4	A24 S27 Y42 R66	A24-S29 PolarHBondContact O-N 3.15Å; S27-S29 PolarHBondContact O-N 2.83Å; S27-S29 PolarHBondContact O-OG 3.36Å; S27-S29 WeakPolarHBondContact OG-CB 3.35Å; S27-S29 PolarHBondContact OG-OG 3.48Å; S27-S29 VanDerWaalsContact OG-OG 3.1Å; S29-Y42 PolarHBondContact O-N 3.28Å; S29-R66 PolarHBondContact OG-NH1 2.67Å
30	L	98.5	Very high	98.2	Very high	100 Å²	100	51.8 Å²	51.8	52%	0.524	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.1	166.1	-176.5	155.6	0	0	0	109.3	T39 H40 D41 T43	L30-T39 HydrophobicContact CD1-CG2 4.38Å; L30-T39 HydrophobicContact CD2-CG2 3.89Å; L30-T39 HydrophobicContact CG-CG2 3.94Å; L30-H40 WeakPolarHBondContact CA-O 3.37Å; L30-D41 HydrophobicContact CD1-CB 4.12Å; L30-D41 HydrophobicContact CG-CB 4.27Å; L30-T43 HydrophobicContact CB-CG2 3.92Å
31	M	98.5	Very high	98.2	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.3	177.8	-65.9	172.9	55.3	0	0	111.5	V20 A23 A24 H40 R66 A67 W70	V20-M31 HydrophobicContact CB-CE 4.46Å; V20-M31 HydrophobicContact CG1-CB 3.79Å; V20-M31 HydrophobicContact CG1-CE 3.78Å; A23-M31 HydrophobicContact CB-CE 4.06Å; A23-M31 HydrophobicContact CB-SD 4.14Å; A24-M31 HydrophobicContact CB-CB 4.06Å; A24-M31 HydrophobicContact CB-CG 4.15Å; A24-M31 HydrophobicContact CB-SD 3.98Å; M31-H40 PolarHBondContact N-O 3.11Å; M31-H40 PolarHBondContact O-N 2.88Å; M31-R66 HydrophobicContact CE-CG 4.19Å; M31-R66 HydrophobicContact SD-CG 3.86Å; M31-A67 HydrophobicContact CE-CB 4.4Å; M31-W70 HydrophobicContact CE-CB 4.06Å; M31-W70 HydrophobicContact CE-CG 4.47Å
32	L	98.7	Very high	98.2	Very high	84 Å²	84	57.8 Å²	57.8	44%	0.44	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	126.1	169.3	178.3	67	0	0	0	109.3	E34 N71	L32-E34 PolarHBondContact O-N 2.93Å; L32-N71 PolarHBondContact O-ND2 3.17Å; L32-N71 PolarHBondContact O-OD1 2.63Å
33	D	98.5	Very high	98.2	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	102.8	166.6	-179.8	-47.2	0	0	0	108	S18 V20 R35 T36 G37 L38	S18-D33 WeakPolarHBondContact CB-OD2 3.14Å; S18-D33 PolarHBondContact OG-OD2 3.38Å; V20-D33 HydrophobicContact CB-CB 3.95Å; V20-D33 HydrophobicContact CG1-CB 3.9Å; V20-D33 HydrophobicContact CG2-CB 4.39Å; D33-R35 PolarHBondContact O-N 2.98Å; D33-R35 WeakPolarHBondContact OD1-CA 3.43Å; D33-R35 WeakPolarHBondContact OD1-CB 3.2Å; D33-R35 PolarHBondContact OD1-N 2.94Å; D33-R35 IonicContact OD2-NH2 3.28Å; D33-T36 WeakPolarHBondContact CB-OG1 3.46Å; D33-T36 PolarHBondContact O-N 2.99Å; D33-T36 PolarHBondContact OD1-N 3.07Å; D33-T36 PolarHBondContact OD1-OG1 3.48Å; D33-G37 WeakPolarHBondContact O-CA 3.25Å; D33-G37 PolarHBondContact O-N 2.99Å; D33-L38 PolarHBondContact N-O 3.17Å
34	E	98.4	Very high	98.2	Very high	137 Å²	137	70.9 Å²	70.9	64%	0.64	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.4	-176	-67.1	178.8	176.5	0	0	112.8	L32 N71	L32-E34 PolarHBondContact O-N 2.93Å; E34-N71 WeakPolarHBondContact CB-OD1 3.25Å; E34-N71 HydrophobicContact CG-CB 4.37Å; E34-N71 WeakPolarHBondContact CG-OD1 3.26Å; E34-N71 PolarHBondContact N-OD1 2.81Å
35	R	96.9	Very high	98.1	Very high	116 Å²	116	74.1 Å²	74.1	44%	0.438	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-36.1	-179.9	-177.1	-177.6	59.9	64.2	6.2	111.6	D33 E74	D33-R35 PolarHBondContact O-N 2.98Å; D33-R35 WeakPolarHBondContact OD1-CA 3.43Å; D33-R35 WeakPolarHBondContact OD1-CB 3.2Å; D33-R35 PolarHBondContact OD1-N 2.94Å; D33-R35 IonicContact OD2-NH2 3.28Å; R35-E74 IonicContact CZ-OE2 3.68Å; R35-E74 IonicContact NE-OE2 2.85Å; R35-E74 PolarHBondContact NE-OE2 3.4Å; R35-E74 IonicContact NH2-OE1 3.85Å; R35-E74 IonicContact NH2-OE2 3.67Å
36	T	96.6	Very high	98	Very high	59 Å²	59	73.5 Å²	73.5	36%	0.362	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-17.2	-176.4	60.4	0	0	0	0	113.7	D33 L38	D33-T36 WeakPolarHBondContact CB-OG1 3.46Å; D33-T36 PolarHBondContact O-N 2.99Å; D33-T36 PolarHBondContact OD1-N 3.07Å; D33-T36 PolarHBondContact OD1-OG1 3.48Å; T36-L38 PolarHBondContact O-N 2.99Å; T36-L38 PolarHBondContact OG1-N 2.92Å
37	G	97.9	Very high	97.9	Very high	53 Å²	53	72.5 Å²	72.5	55%	0.546	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	4.3	-171	0	0	0	0	0	113.9	D33	D33-G37 WeakPolarHBondContact O-CA 3.25Å; D33-G37 PolarHBondContact O-N 2.99Å
38	L	98.1	Very high	97.9	Very high	103 Å²	103	74 Å²	74	54%	0.539	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.3	-178.5	-64.4	175.2	0	0	0	111	D33 T36	D33-L38 PolarHBondContact N-O 3.17Å; T36-L38 PolarHBondContact O-N 2.99Å; T36-L38 PolarHBondContact OG1-N 2.92Å
39	T	98.6	Very high	97.7	Very high	85 Å²	85	77.2 Å²	77.2	52%	0.521	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.1	169.7	-55.1	0	0	0	0	110.1	L30	L30-T39 HydrophobicContact CD1-CG2 4.38Å; L30-T39 HydrophobicContact CD2-CG2 3.89Å; L30-T39 HydrophobicContact CG-CG2 3.94Å
40	H	98.4	Very high	97.5	Very high	31 Å²	31	80.6 Å²	80.6	14%	0.144	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	101.4	175.2	-60.7	-67	0	0	0	109.2	A24 L30 M31 Y42	A24-H40 HydrophobicContact CB-CB 3.86Å; L30-H40 WeakPolarHBondContact CA-O 3.37Å; M31-H40 PolarHBondContact N-O 3.11Å; M31-H40 PolarHBondContact O-N 2.88Å; H40-Y42 HydrophobicContact CB-CD2 4.36Å; H40-Y42 HydrophobicContact CB-CE2 3.97Å
41	D	98.5	Very high	97.5	Very high	63 Å²	63	77.6 Å²	77.6	34%	0.337	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	104.6	179.4	177.8	11.9	0	0	0	111.1	L30 T43 R44	L30-D41 HydrophobicContact CD1-CB 4.12Å; L30-D41 HydrophobicContact CG-CB 4.27Å; D41-T43 VanDerWaalsContact OD1-CB 3.31Å; D41-T43 WeakPolarHBondContact OD1-CB 3.31Å; D41-T43 VanDerWaalsContact OD1-CG2 3.25Å; D41-T43 WeakPolarHBondContact OD1-CG2 3.35Å; D41-T43 PolarHBondContact OD1-N 2.89Å; D41-T43 PolarHBondContact OD1-OG1 3.3Å; D41-R44 IonicContact OD2-NH1 3.85Å
42	Y	98.3	Very high	97.4	Very high	80 Å²	80	80.6 Å²	80.6	31%	0.314	46%	0.457	S	S	.	.			trans	-113.5	23.2	173.7	-64.1	-74.7	0	0	0	112.7	A24 Y25 G28 S29 H40 R44 K45	A24-Y42 HydrophobicContact CB-CD2 3.78Å; A24-Y42 HydrophobicContact CB-CE2 4.2Å; Y25-Y42 VanDerWaalsContact CA-CD2 3.45Å; Y25-Y42 AromaticContact CD2-CD1 3.76Å; Y25-Y42 HydrophobicContact CD2-CD1 3.76Å; Y25-Y42 AromaticContact CD2-CE1 3.57Å; Y25-Y42 HydrophobicContact CD2-CE1 3.57Å; Y25-Y42 HydrophobicContact CD2-CE2 4.41Å; Y25-Y42 HydrophobicContact CD2-CG 4.27Å; Y25-Y42 AromaticContact CD2-CZ 3.9Å; Y25-Y42 HydrophobicContact CE2-CE1 4.36Å; Y25-Y42 VanDerWaalsContact N-CD2 3.32Å; G28-Y42 CarbonylContact C-O 3.39Å; G28-Y42 WeakPolarHBondContact CA-O 3.12Å; S29-Y42 PolarHBondContact O-N 3.28Å; H40-Y42 HydrophobicContact CB-CD2 4.36Å; H40-Y42 HydrophobicContact CB-CE2 3.97Å; Y42-R44 PolarHBondContact O-N 3.46Å; Y42-K45 WeakPolarHBondContact O-CB 3.43Å; Y42-K45 PolarHBondContact O-N 3.47Å
43	T	98.1	Very high	97.4	Very high	83 Å²	83	78.9 Å²	78.9	51%	0.509	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23	-179.5	56.7	0	0	0	0	113.6	L30 D41 K45	L30-T43 HydrophobicContact CB-CG2 3.92Å; D41-T43 VanDerWaalsContact OD1-CB 3.31Å; D41-T43 WeakPolarHBondContact OD1-CB 3.31Å; D41-T43 VanDerWaalsContact OD1-CG2 3.25Å; D41-T43 WeakPolarHBondContact OD1-CG2 3.35Å; D41-T43 PolarHBondContact OD1-N 2.89Å; D41-T43 PolarHBondContact OD1-OG1 3.3Å; T43-K45 VanDerWaalsContact C-N 3.32Å
44	R	97.9	Very high	97.3	Very high	215 Å²	215	81.6 Å²	81.6	81%	0.811	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.6	174.8	-56.7	-172.2	-169.8	85.4	3	113.6	D41 Y42 S46	D41-R44 IonicContact OD2-NH1 3.85Å; Y42-R44 PolarHBondContact O-N 3.46Å; R44-S46 PolarHBondContact O-N 2.96Å
45	K	97.6	Very high	97.3	Very high	68 Å²	68	77.3 Å²	77.3	30%	0.296	45%	0.445	S	S	.	.			trans	-70.9	125.1	-178.2	-173.5	-171.1	174.6	-61.1	0	109.9	Y25 Y42 T43 V48	Y25-K45 HydrophobicContact CD2-CD 4.31Å; Y25-K45 HydrophobicContact CE2-CD 4.19Å; Y25-K45 WeakPolarHBondContact O-CD 3.36Å; Y42-K45 WeakPolarHBondContact O-CB 3.43Å; Y42-K45 PolarHBondContact O-N 3.47Å; T43-K45 VanDerWaalsContact C-N 3.32Å; K45-V48 HydrophobicContact CD-CG2 4.17Å
46	S	96.7	Very high	97.2	Very high	104 Å²	104	74.4 Å²	74.4	73%	0.727	44%	0.441	S	S	*	.			trans	-87.3	168.7	171.3	59.9	0	0	0	0	112.3	R44 V48	R44-S46 PolarHBondContact O-N 2.96Å; S46-V48 PolarHBondContact O-N 3.01Å
47	G	95.5	Very high	97.2	Very high	78 Å²	78	77 Å²	77	80%	0.804	47%	0.468	S	S	*	.			trans	78.2	13.8	174.6	0	0	0	0	0	115.2
48	V	96.5	Very high	97.1	Very high	46 Å²	46	81 Å²	81	28%	0.279	48%	0.482	S	S	.	.			trans	-93.6	102.3	166.7	-177.2	0	0	0	0	107.3	K45 S46 A51	K45-V48 HydrophobicContact CD-CG2 4.17Å; S46-V48 PolarHBondContact O-N 3.01Å; V48-A51 HydrophobicContact CG1-CB 4.33Å
49	A	94.4	Very high	97	Very high	84 Å²	84	77.5 Å²	77.5	69%	0.694	47%	0.468	S	S	*	.			trans	-71.5	-41	177	0	0	0	0	0	111.5
50	E	95.6	Very high	97	Very high	96 Å²	96	76.7 Å²	76.7	45%	0.449	47%	0.465	S	S	.	.			trans	-158.8	155	179.2	-163.4	-173.7	-163.5	0	0	109.9	V52 R102	E50-V52 HydrophobicContact CG-CG1 3.9Å; E50-V52 WeakPolarHBondContact OE1-CG1 3.35Å; E50-R102 IonicContact OE1-CZ 3.47Å; E50-R102 IonicContact OE1-NE 3.33Å; E50-R102 PolarHBondContact OE1-NE 3.43Å; E50-R102 IonicContact OE1-NH2 2.73Å; E50-R102 PolarHBondContact OE1-NH2 3.45Å; E50-R102 WeakPolarHBondContact OE2-CD 3.48Å; E50-R102 IonicContact OE2-CZ 3.51Å; E50-R102 IonicContact OE2-NE 2.68Å; E50-R102 PolarHBondContact OE2-NE 2.91Å; E50-R102 IonicContact OE2-NH2 3.48Å; E50-R102 PolarHBondContact OE2-NH2 3.25Å
51	A	97.2	Very high	96.9	Very high	38 Å²	38	79.2 Å²	79.2	31%	0.314	49%	0.491	S	S	.	.			trans	-141.9	100.4	172.9	0	0	0	0	0	111.1	V48 R66	V48-A51 HydrophobicContact CG1-CB 4.33Å; A51-R66 PolarHBondContact O-NH2 3.28Å
52	V	97.5	Very high	96.9	Very high	69 Å²	69	81.7 Å²	81.7	42%	0.418	50%	0.495	S	S	.	.			trans	-106.2	157.8	-179.2	-58.8	0	0	0	0	112.2	E50 L106	E50-V52 HydrophobicContact CG-CG1 3.9Å; E50-V52 WeakPolarHBondContact OE1-CG1 3.35Å; V52-L106 HydrophobicContact CG2-CD2 3.74Å
53	I	98	Very high	96.8	Very high	47 Å²	47	78.6 Å²	78.6	24%	0.241	49%	0.485	C	S	.	.			trans	-116.2	127.3	168.2	-68.3	170.3	0	0	0	107.3	T55 R66 L69	I53-T55 HydrophobicContact CG2-CG2 3.88Å; I53-R66 HydrophobicContact CD1-CB 3.7Å; I53-R66 HydrophobicContact CD1-CG 4.1Å; I53-L69 HydrophobicContact CD1-CD2 4.19Å; I53-L69 HydrophobicContact CG2-CD2 4.18Å
54	L	97.4	Very high	96.8	Very high	58 Å²	58	78.9 Å²	78.9	30%	0.304	49%	0.487	S	S	.	.			trans	-106.8	132.5	172.6	-58.4	178.8	0	0	0	108.4	L106 V109 R110 V114	L54-L106 HydrophobicContact CD1-CD2 4.1Å; L54-V109 HydrophobicContact CD1-CB 4.11Å; L54-V109 HydrophobicContact CD1-CG1 3.74Å; L54-R110 HydrophobicContact CD1-CG 3.95Å; L54-V114 HydrophobicContact CB-CG2 3.78Å; L54-V114 HydrophobicContact CD1-CG2 4.45Å
55	T	96.9	Very high	96.8	Very high	47 Å²	47	71.8 Å²	71.8	29%	0.288	47%	0.465	S	S	.	.			trans	-129.3	148.2	-180	60.1	0	0	0	0	110.3	I53 A59 C63 T64	I53-T55 HydrophobicContact CG2-CG2 3.88Å; T55-A59 HydrophobicContact CG2-CB 4.29Å; T55-C63 HydrophobicContact CG2-CB 3.86Å; T55-T64 HydrophobicContact CG2-CG2 4.38Å
56	P	96.2	Very high	96.8	Very high	56 Å²	56	71.8 Å²	71.8	36%	0.364	46%	0.463	S	S	.	.			trans	-57.4	153.9	168	-21.4	31	0	0	0	110.9	T58 A59 V114	P56-T58 PolarHBondContact O-N 2.83Å; P56-T58 VanDerWaalsContact O-N 3.07Å; P56-A59 VanDerWaalsContact O-CB 3.22Å; P56-A59 WeakPolarHBondContact O-CB 3.17Å; P56-A59 PolarHBondContact O-N 3.38Å; P56-V114 HydrophobicContact CG-CG1 4.37Å
57	A	95.2	Very high	96.9	Very high	113 Å²	113	68.5 Å²	68.5	93%	0.934	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.6	180	0	0	0	0	0	113.7
58	T	96.3	Very high	97.1	Very high	136 Å²	136	69.3 Å²	69.3	83%	0.834	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-4.1	178.3	54	0	0	0	0	113.6	P56	P56-T58 PolarHBondContact O-N 2.83Å; P56-T58 VanDerWaalsContact O-N 3.07Å
59	A	96.8	Very high	97.2	Very high	31 Å²	31	68.8 Å²	68.8	26%	0.256	42%	0.421	S	S	.	.	S	Bend	trans	-69.1	140.1	-178.4	0	0	0	0	0	111.2	T55 P56 C63	T55-A59 HydrophobicContact CG2-CB 4.29Å; P56-A59 VanDerWaalsContact O-CB 3.22Å; P56-A59 WeakPolarHBondContact O-CB 3.17Å; P56-A59 PolarHBondContact O-N 3.38Å; A59-C63 HydrophobicContact CB-CB 4.34Å
60	P	97.7	Very high	97.4	Very high	68 Å²	68	68 Å²	68	44%	0.442	40%	0.4	S	S	.	.			trans	-56.1	146	169	-25.6	34.8	0	0	0	112.3	W62 C63	P60-W62 HydrophobicContact CB-CD2 4.42Å; P60-W62 HydrophobicContact CB-CG 4.16Å; P60-W62 HydrophobicContact CG-CZ2 4.41Å; P60-W62 PolarHBondContact O-N 3.4Å; P60-W62 VanDerWaalsContact O-N 3.13Å; P60-C63 VanDerWaalsContact O-CB 3.28Å; P60-C63 WeakPolarHBondContact O-CB 3.44Å; P60-C63 PolarHBondContact O-N 3.28Å
61	A	97.1	Very high	97.5	Very high	83 Å²	83	63.9 Å²	63.9	69%	0.686	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-56.6	-34.1	-176.9	0	0	0	0	0	113.8	C63 T64	A61-C63 PolarHBondContact O-N 2.87Å; A61-T64 PolarHBondContact O-N 3.12Å; A61-T64 VanDerWaalsContact O-N 3.14Å; A61-T64 PolarHBondContact O-OG1 3.24Å
62	W	97.5	Very high	97.6	Very high	116 Å²	116	63.7 Å²	63.7	44%	0.439	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-62.4	-21.9	178.9	63.9	-103.2	0	0	0	113.3	P60 T64 N65 E68 L69 A72	P60-W62 HydrophobicContact CB-CD2 4.42Å; P60-W62 HydrophobicContact CB-CG 4.16Å; P60-W62 HydrophobicContact CG-CZ2 4.41Å; P60-W62 PolarHBondContact O-N 3.4Å; P60-W62 VanDerWaalsContact O-N 3.13Å; W62-T64 PolarHBondContact O-N 3.48Å; W62-T64 VanDerWaalsContact O-N 3.1Å; W62-N65 PolarHBondContact O-N 2.87Å; W62-E68 WeakPolarHBondContact CB-OE2 3.47Å; W62-E68 HydrophobicContact CE3-CB 4.45Å; W62-L69 HydrophobicContact CZ3-CD1 4.38Å; W62-A72 HydrophobicContact CH2-CB 3.88Å; W62-A72 HydrophobicContact CZ3-CB 3.66Å
63	C	97.7	Very high	97.6	Very high	15 Å²	15	62 Å²	62	10%	0.101	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-63.3	-16.6	176.5	-66.8	0	0	0	0	112.9	T55 A59 P60 A61 L69	T55-C63 HydrophobicContact CG2-CB 3.86Å; A59-C63 HydrophobicContact CB-CB 4.34Å; P60-C63 VanDerWaalsContact O-CB 3.28Å; P60-C63 WeakPolarHBondContact O-CB 3.44Å; P60-C63 PolarHBondContact O-N 3.28Å; A61-C63 PolarHBondContact O-N 2.87Å; C63-L69 HydrophobicContact CB-CD1 4.33Å
64	T	97.3	Very high	97.7	Very high	88 Å²	88	60 Å²	60	54%	0.54	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-81.5	-16	174.7	63.6	0	0	0	0	113.2	T55 A61 W62	T55-T64 HydrophobicContact CG2-CG2 4.38Å; A61-T64 PolarHBondContact O-N 3.12Å; A61-T64 VanDerWaalsContact O-N 3.14Å; A61-T64 PolarHBondContact O-OG1 3.24Å; W62-T64 PolarHBondContact O-N 3.48Å; W62-T64 VanDerWaalsContact O-N 3.1Å
65	N	98.2	Very high	97.7	Very high	66 Å²	66	65.3 Å²	65.3	35%	0.353	38%	0.379	S	S	.	.	S	Bend	trans	-83.5	115.9	171.4	-178.3	-31.3	0	0	0	109.4	W62 A67 E68 L69	W62-N65 PolarHBondContact O-N 2.87Å; N65-A67 PolarHBondContact O-N 2.71Å; N65-A67 PolarHBondContact OD1-N 3.06Å; N65-E68 HydrophobicContact CB-CB 4Å; N65-E68 HydrophobicContact CB-CG 4.04Å; N65-E68 PolarHBondContact ND2-OE1 3.29Å; N65-E68 PolarHBondContact O-N 2.82Å; N65-E68 PolarHBondContact OD1-N 2.61Å; N65-L69 VanDerWaalsContact O-CB 3.24Å; N65-L69 WeakPolarHBondContact O-CB 3.48Å; N65-L69 PolarHBondContact O-N 2.93Å
66	R	98.1	Very high	97.7	Very high	68 Å²	68	66.3 Å²	66.3	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-57.5	-44.8	-178.2	-166	176.7	-51	95.6	5.4	113.2	A23 S27 S29 M31 A51 I53 W70	A23-R66 HydrophobicContact CB-CG 4.41Å; S27-R66 WeakPolarHBondContact OG-CD 3.36Å; S29-R66 PolarHBondContact OG-NH1 2.67Å; M31-R66 HydrophobicContact CE-CG 4.19Å; M31-R66 HydrophobicContact SD-CG 3.86Å; A51-R66 PolarHBondContact O-NH2 3.28Å; I53-R66 HydrophobicContact CD1-CB 3.7Å; I53-R66 HydrophobicContact CD1-CG 4.1Å; R66-W70 PolarHBondContact O-N 3.31Å; R66-W70 VanDerWaalsContact O-N 3.13Å
67	A	98.5	Very high	97.8	Very high	35 Å²	35	67.3 Å²	67.3	29%	0.289	39%	0.392	S	S	.	.	H	α-helix	trans	-67.7	-43.7	-177.6	0	0	0	0	0	111.3	M31 N65 N71	M31-A67 HydrophobicContact CE-CB 4.4Å; N65-A67 PolarHBondContact O-N 2.71Å; N65-A67 PolarHBondContact OD1-N 3.06Å; A67-N71 WeakPolarHBondContact O-CB 3.32Å; A67-N71 PolarHBondContact O-N 3.41Å; A67-N71 PolarHBondContact O-ND2 3.13Å
68	E	98.5	Very high	97.8	Very high	95 Å²	95	72.6 Å²	72.6	44%	0.444	39%	0.388	S	S	.	.	H	α-helix	trans	-65.2	-46.5	176.7	-66	178.6	-129	0	0	111.2	W62 N65 W70 A72	W62-E68 WeakPolarHBondContact CB-OE2 3.47Å; W62-E68 HydrophobicContact CE3-CB 4.45Å; N65-E68 HydrophobicContact CB-CB 4Å; N65-E68 HydrophobicContact CB-CG 4.04Å; N65-E68 PolarHBondContact ND2-OE1 3.29Å; N65-E68 PolarHBondContact O-N 2.82Å; N65-E68 PolarHBondContact OD1-N 2.61Å; E68-W70 PolarHBondContact O-N 3.41Å; E68-A72 VanDerWaalsContact O-CB 3.22Å; E68-A72 WeakPolarHBondContact O-CB 3.32Å; E68-A72 PolarHBondContact O-N 2.85Å
69	L	98.6	Very high	97.9	Very high	36 Å²	36	75 Å²	75	19%	0.188	38%	0.382	C	S	.	.	H	α-helix	trans	-55.4	-55	179.9	177.6	63.7	0	0	0	112	I53 W62 C63 N65 A72 V73	I53-L69 HydrophobicContact CD1-CD2 4.19Å; I53-L69 HydrophobicContact CG2-CD2 4.18Å; W62-L69 HydrophobicContact CZ3-CD1 4.38Å; C63-L69 HydrophobicContact CB-CD1 4.33Å; N65-L69 VanDerWaalsContact O-CB 3.24Å; N65-L69 WeakPolarHBondContact O-CB 3.48Å; N65-L69 PolarHBondContact O-N 2.93Å; L69-A72 WeakPolarHBondContact O-CB 3.39Å; L69-A72 PolarHBondContact O-N 3.35Å; L69-V73 WeakPolarHBondContact O-CG2 3.34Å; L69-V73 PolarHBondContact O-N 3.46Å
70	W	98.7	Very high	97.8	Very high	67 Å²	67	82.3 Å²	82.3	25%	0.254	41%	0.408	S	S	.	.	H	α-helix	trans	-77.1	-29.1	-172.3	-66.2	112.8	0	0	0	113.3	A19 V20 A23 M31 R66 E68 V73 E74 A85	A19-W70 HydrophobicContact CB-CE3 3.86Å; V20-W70 HydrophobicContact CG2-CB 4.1Å; A23-W70 HydrophobicContact CB-CB 4.27Å; A23-W70 HydrophobicContact CB-CD2 3.99Å; A23-W70 HydrophobicContact CB-CG 3.54Å; A23-W70 VanDerWaalsContact CB-NE1 3.29Å; M31-W70 HydrophobicContact CE-CB 4.06Å; M31-W70 HydrophobicContact CE-CG 4.47Å; R66-W70 PolarHBondContact O-N 3.31Å; R66-W70 VanDerWaalsContact O-N 3.13Å; E68-W70 PolarHBondContact O-N 3.41Å; W70-V73 HydrophobicContact CE3-CB 4.34Å; W70-V73 HydrophobicContact CE3-CG2 4.11Å; W70-V73 HydrophobicContact CZ3-CG2 4.39Å; W70-V73 PolarHBondContact O-N 3.32Å; W70-E74 PolarHBondContact O-N 3.1Å; W70-E74 VanDerWaalsContact O-N 3.12Å; W70-A85 HydrophobicContact CH2-CB 4.17Å; W70-A85 HydrophobicContact CZ3-CB 3.86Å
71	N	98.7	Very high	97.8	Very high	10 Å²	10	84 Å²	84	5%	0.053	41%	0.413	C	S	.	.	H	α-helix	trans	-68.8	-36.6	168.6	-80.8	-65.6	0	0	0	111.6	V20 L32 E34 A67 V73 E74 K75	V20-N71 WeakPolarHBondContact CG2-OD1 3.46Å; L32-N71 PolarHBondContact O-ND2 3.17Å; L32-N71 PolarHBondContact O-OD1 2.63Å; E34-N71 WeakPolarHBondContact CB-OD1 3.25Å; E34-N71 HydrophobicContact CG-CB 4.37Å; E34-N71 WeakPolarHBondContact CG-OD1 3.26Å; E34-N71 PolarHBondContact N-OD1 2.81Å; A67-N71 WeakPolarHBondContact O-CB 3.32Å; A67-N71 PolarHBondContact O-N 3.41Å; A67-N71 PolarHBondContact O-ND2 3.13Å; N71-V73 VanDerWaalsContact C-N 3.33Å; N71-V73 PolarHBondContact O-N 2.65Å; N71-E74 PolarHBondContact O-N 3.37Å; N71-K75 WeakPolarHBondContact O-CB 3.22Å; N71-K75 PolarHBondContact O-N 3.47Å
72	A	98.6	Very high	97.8	Very high	34 Å²	34	80.4 Å²	80.4	28%	0.281	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-40	174.1	0	0	0	0	0	112	W62 E68 L69 K75 A76	W62-A72 HydrophobicContact CH2-CB 3.88Å; W62-A72 HydrophobicContact CZ3-CB 3.66Å; E68-A72 VanDerWaalsContact O-CB 3.22Å; E68-A72 WeakPolarHBondContact O-CB 3.32Å; E68-A72 PolarHBondContact O-N 2.85Å; L69-A72 WeakPolarHBondContact O-CB 3.39Å; L69-A72 PolarHBondContact O-N 3.35Å; A72-K75 PolarHBondContact O-N 2.88Å; A72-A76 VanDerWaalsContact O-CB 3.3Å; A72-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 PolarHBondContact O-N 2.88Å
73	V	98.5	Very high	97.9	Very high	34 Å²	34	80.7 Å²	80.7	21%	0.206	39%	0.389	C	S	.	.	H	α-helix	trans	-60.3	-50.5	172.8	171.1	0	0	0	0	111.2	A19 L69 W70 N71 K75 A76 E77 L84	A19-V73 HydrophobicContact CB-CG1 4.37Å; L69-V73 WeakPolarHBondContact O-CG2 3.34Å; L69-V73 PolarHBondContact O-N 3.46Å; W70-V73 HydrophobicContact CE3-CB 4.34Å; W70-V73 HydrophobicContact CE3-CG2 4.11Å; W70-V73 HydrophobicContact CZ3-CG2 4.39Å; W70-V73 PolarHBondContact O-N 3.32Å; N71-V73 VanDerWaalsContact C-N 3.33Å; N71-V73 PolarHBondContact O-N 2.65Å; V73-K75 PolarHBondContact O-N 2.93Å; V73-A76 PolarHBondContact O-N 3.16Å; V73-E77 WeakPolarHBondContact O-CB 3.49Å; V73-E77 PolarHBondContact O-N 3.27Å; V73-L84 HydrophobicContact CG1-CB 4.28Å; V73-L84 VanDerWaalsContact CG1-O 3.32Å; V73-L84 WeakPolarHBondContact CG1-O 3.36Å
74	E	98.3	Very high	97.9	Very high	4 Å²	4	80.6 Å²	80.6	2%	0.019	39%	0.388	C	S	.	.	H	α-helix	trans	-57.7	-37.8	178.1	-78.5	-74.7	-177.8	0	0	112.7	R13 S18 A19 V20 R35 W70 N71 E77 L84	R13-E74 IonicContact CZ-OE2 3.66Å; R13-E74 IonicContact NE-OE2 3.62Å; R13-E74 PolarHBondContact NH2-O 3.01Å; R13-E74 IonicContact NH2-OE2 2.71Å; R13-E74 PolarHBondContact NH2-OE2 3.41Å; S18-E74 VanDerWaalsContact CA-OE1 3.25Å; S18-E74 WeakPolarHBondContact CA-OE1 3.49Å; S18-E74 PolarHBondContact OG-OE1 2.75Å; A19-E74 HydrophobicContact CB-CG 4.15Å; A19-E74 PolarHBondContact N-OE1 3.2Å; V20-E74 HydrophobicContact CG2-CG 4.05Å; R35-E74 IonicContact CZ-OE2 3.68Å; R35-E74 IonicContact NE-OE2 2.85Å; R35-E74 PolarHBondContact NE-OE2 3.4Å; R35-E74 IonicContact NH2-OE1 3.85Å; R35-E74 IonicContact NH2-OE2 3.67Å; W70-E74 PolarHBondContact O-N 3.1Å; W70-E74 VanDerWaalsContact O-N 3.12Å; N71-E74 PolarHBondContact O-N 3.37Å; E74-E77 VanDerWaalsContact O-O 3.1Å; E74-L84 VanDerWaalsContact OE1-CD1 3.26Å; E74-L84 WeakPolarHBondContact OE1-CD1 3.2Å
75	K	98.1	Very high	97.9	Very high	169 Å²	169	77.2 Å²	77.2	74%	0.735	37%	0.369	S	S	*	.	H	α-helix	trans	-74.1	-38.5	178.7	-173.7	178	-177.3	175.7	0	113	N71 A72 V73	N71-K75 WeakPolarHBondContact O-CB 3.22Å; N71-K75 PolarHBondContact O-N 3.47Å; A72-K75 PolarHBondContact O-N 2.88Å; V73-K75 PolarHBondContact O-N 2.93Å
76	A	98.1	Very high	97.9	Very high	69 Å²	69	82.7 Å²	82.7	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-67.9	-39.8	178.5	0	0	0	0	0	111.3	A72 V73 R78	A72-A76 VanDerWaalsContact O-CB 3.3Å; A72-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 PolarHBondContact O-N 2.88Å; V73-A76 PolarHBondContact O-N 3.16Å; A76-R78 PolarHBondContact O-N 2.74Å
77	E	97.8	Very high	97.9	Very high	76 Å²	76	81.4 Å²	81.4	36%	0.355	38%	0.381	S	S	.	.			trans	-82	102.5	179.8	-75.7	-56.8	145.2	0	0	111.7	R13 V73 E74 S82 L84	R13-E77 PolarHBondContact NH1-O 2.99Å; R13-E77 PolarHBondContact NH2-O 3.1Å; V73-E77 WeakPolarHBondContact O-CB 3.49Å; V73-E77 PolarHBondContact O-N 3.27Å; E74-E77 VanDerWaalsContact O-O 3.1Å; E77-S82 WeakPolarHBondContact OE2-CB 3.42Å; E77-S82 PolarHBondContact OE2-OG 2.75Å; E77-L84 HydrophobicContact CB-CD2 3.65Å; E77-L84 HydrophobicContact CG-CD2 4Å
78	R	95.6	Very high	97.8	Very high	224 Å²	224	82.7 Å²	82.7	85%	0.845	38%	0.383	S	S	*	.			trans	-93.6	-19.5	-170.3	-62.6	178.6	-174.7	161.5	1.5	115.3	A76	A76-R78 PolarHBondContact O-N 2.74Å
79	R	97.6	Very high	97.6	Very high	186 Å²	186	82.3 Å²	82.3	70%	0.702	38%	0.381	S	S	*	.	S	Bend	trans	-84.7	146	-171.2	-64.2	-67.6	-171.2	168.3	2	110.7	R13 N81 S82	R13-R79 PolarHBondContact NH1-O 2.99Å; R79-N81 WeakPolarHBondContact CB-OD1 3.24Å; R79-N81 PolarHBondContact O-N 2.96Å; R79-N81 VanDerWaalsContact O-N 3.07Å; R79-S82 PolarHBondContact N-OG 3.14Å; R79-S82 WeakPolarHBondContact O-CB 3.46Å; R79-S82 PolarHBondContact O-N 3.4Å; R79-S82 VanDerWaalsContact O-N 3.08Å; R79-S82 PolarHBondContact O-OG 3.18Å
80	K	95.3	Very high	97.4	Very high	185 Å²	185	83.7 Å²	83.7	80%	0.804	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22	178.7	65.9	179.5	-178.2	177.9	0	114.1	R13 S14	R13-K80 WeakPolarHBondContact CG-O 3.36Å; S14-K80 PolarHBondContact N-O 3.13Å
81	N	96.3	Very high	97.2	Very high	103 Å²	103	82.9 Å²	82.9	55%	0.551	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	21.6	179.4	64.5	-25.7	0	0	0	113.2	R79	R79-N81 WeakPolarHBondContact CB-OD1 3.24Å; R79-N81 PolarHBondContact O-N 2.96Å; R79-N81 VanDerWaalsContact O-N 3.07Å
82	S	98.4	Very high	96.9	Very high	8 Å²	8	85.1 Å²	85.1	6%	0.056	41%	0.407	C	S	.	.			trans	-56.5	139.9	176.2	-79.5	0	0	0	0	112.1	S12 R13 E77 R79	S12-S82 WeakPolarHBondContact CA-O 3.42Å; R13-S82 PolarHBondContact N-O 2.96Å; E77-S82 WeakPolarHBondContact OE2-CB 3.42Å; E77-S82 PolarHBondContact OE2-OG 2.75Å; R79-S82 PolarHBondContact N-OG 3.14Å; R79-S82 WeakPolarHBondContact O-CB 3.46Å; R79-S82 PolarHBondContact O-N 3.4Å; R79-S82 VanDerWaalsContact O-N 3.08Å; R79-S82 PolarHBondContact O-OG 3.18Å
83	Q	98.1	Very high	96.5	Very high	122 Å²	122	86.1 Å²	86.1	57%	0.57	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	101.6	168.7	-60.4	-170.6	-13.6	0	0	107.5	I10	I10-Q83 HydrophobicContact CG2-CB 3.71Å; I10-Q83 HydrophobicContact CG2-CG 3.68Å
84	L	98.3	Very high	96.1	Very high	13 Å²	13	93.1 Å²	93.1	7%	0.068	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-37	-168.3	-54.3	167.9	0	0	0	111.7	I11 R13 A19 V73 E74 E77	I11-L84 HydrophobicContact CG2-CB 4.44Å; I11-L84 HydrophobicContact CG2-CD1 4.45Å; I11-L84 WeakPolarHBondContact O-CB 3.22Å; I11-L84 PolarHBondContact O-N 3.48Å; R13-L84 HydrophobicContact CB-CD1 4.31Å; A19-L84 HydrophobicContact CB-CB 3.97Å; A19-L84 HydrophobicContact CB-CD1 4.18Å; V73-L84 HydrophobicContact CG1-CB 4.28Å; V73-L84 VanDerWaalsContact CG1-O 3.32Å; V73-L84 WeakPolarHBondContact CG1-O 3.36Å; E74-L84 VanDerWaalsContact OE1-CD1 3.26Å; E74-L84 WeakPolarHBondContact OE1-CD1 3.2Å; E77-L84 HydrophobicContact CB-CD2 3.65Å; E77-L84 HydrophobicContact CG-CD2 4Å
85	A	98.1	Very high	95.8	Very high	17 Å²	17	98.8 Å²	98.8	14%	0.14	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	164.9	179.7	0	0	0	0	0	111.4	I11 W70	I11-A85 HydrophobicContact CB-CB 4.18Å; I11-A85 HydrophobicContact CD1-CB 3.97Å; I11-A85 HydrophobicContact CG1-CB 4.5Å; I11-A85 PolarHBondContact N-O 2.79Å; I11-A85 PolarHBondContact O-N 3.03Å; W70-A85 HydrophobicContact CH2-CB 4.17Å; W70-A85 HydrophobicContact CZ3-CB 3.86Å
86	R	97.7	Very high	95.5	Very high	182 Å²	182	94.2 Å²	94.2	69%	0.687	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.2	165.7	-69.9	173.7	-174.5	161	3.5	108.3	K9 I10	K9-R86 WeakPolarHBondContact O-CA 3.31Å; I10-R86 HydrophobicContact CD1-CG 3.66Å
87	E	97.4	Very high	95.3	Very high	40 Å²	40	95.2 Å²	95.2	19%	0.187	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.7	166.4	168.7	172.7	54.5	0	0	108.7	M8 K9 R26	M8-E87 CarbonylContact C-O 3.55Å; M8-E87 WeakPolarHBondContact CA-O 3.28Å; M8-E87 WeakPolarHBondContact CG-O 3.38Å; K9-E87 HydrophobicContact CB-CB 4.49Å; K9-E87 PolarHBondContact N-O 2.73Å; K9-E87 PolarHBondContact O-N 2.68Å; R26-E87 IonicContact CZ-OE2 3.94Å; R26-E87 IonicContact NE-OE2 2.61Å; R26-E87 PolarHBondContact NE-OE2 2.81Å; R26-E87 IonicContact NH2-OE1 3.03Å; R26-E87 PolarHBondContact NH2-OE1 2.71Å; R26-E87 IonicContact NH2-OE2 2.83Å; R26-E87 PolarHBondContact NH2-OE2 3.01Å
88	I	96.6	Very high	95.1	Very high	62 Å²	62	98.3 Å²	98.3	32%	0.318	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.8	167	-58.3	174.9	0	0	0	106.7	L6 S7 M8 L90 F113	L6-I88 HydrophobicContact CD1-CG2 3.95Å; S7-I88 WeakPolarHBondContact O-CA 3.47Å; M8-I88 HydrophobicContact CG-CG1 4.19Å; I88-L90 HydrophobicContact CG2-CD2 4.19Å; I88-F113 HydrophobicContact CD1-CE1 3.72Å; I88-F113 HydrophobicContact CD1-CE2 3.85Å; I88-F113 HydrophobicContact CD1-CZ 3.25Å
89	E	95.9	Very high	95.1	Very high	87 Å²	87	93.5 Å²	93.5	41%	0.407	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.1	176.6	-175.6	175.7	-165.7	0	0	108.1	H5 L6 S7 K9	H5-E89 IonicContact NE2-OE2 3.59Å; L6-E89 CarbonylContact C-O 3.56Å; L6-E89 VanDerWaalsContact CA-O 3.31Å; L6-E89 WeakPolarHBondContact CA-O 3.33Å; S7-E89 PolarHBondContact N-O 2.96Å; S7-E89 PolarHBondContact O-N 3.33Å; K9-E89 IonicContact NZ-OE2 3.76Å
90	L	93.9	Very high	95	Very high	65 Å²	65	86.7 Å²	86.7	34%	0.34	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.3	179.6	61.2	134.6	0	0	0	111.2	H5 L6 I88 I92 V105	H5-L90 WeakPolarHBondContact O-CA 3.22Å; L6-L90 HydrophobicContact CD1-CB 4.1Å; I88-L90 HydrophobicContact CG2-CD2 4.19Å; L90-I92 HydrophobicContact CD1-CD1 3.55Å; L90-I92 HydrophobicContact CD1-CG1 4.3Å; L90-V105 HydrophobicContact CD1-CG2 4.28Å
91	A	94	Very high	95	Very high	51 Å²	51	78.6 Å²	78.6	42%	0.421	41%	0.408	S	S	.	.			trans	-90	136.2	170.8	0	0	0	0	0	110.7	H5	H5-A91 HydrophobicContact CB-CB 3.83Å; H5-A91 PolarHBondContact O-N 3.07Å
92	I	91.6	Very high	94.9	Very high	57 Å²	57	78 Å²	78	29%	0.292	40%	0.398	S	S	.	.			trans	-105.2	137.8	173.3	-58.4	-62.8	0	0	0	109.1	L90 H94 L96 A101 V105	L90-I92 HydrophobicContact CD1-CD1 3.55Å; L90-I92 HydrophobicContact CD1-CG1 4.3Å; I92-H94 PolarHBondContact O-N 3.4Å; I92-L96 HydrophobicContact CG2-CD1 3.91Å; I92-A101 HydrophobicContact CG2-CB 3.58Å; I92-V105 HydrophobicContact CD1-CG2 3.66Å; I92-V105 HydrophobicContact CG1-CG2 3.84Å
93	P	90.6	Very high	94.9	Very high	54 Å²	54	81.9 Å²	81.9	35%	0.351	42%	0.415	S	S	.	.			trans	-56.2	130.9	176.5	-25.4	34.1	0	0	0	112.9	A2 E95 L96	A2-P93 HydrophobicContact CB-CB 4.09Å; A2-P93 HydrophobicContact CB-CG 4.17Å; P93-E95 WeakPolarHBondContact CB-OE2 3.28Å; P93-E95 PolarHBondContact O-N 3.36Å; P93-L96 HydrophobicContact CB-CG 4.46Å; P93-L96 WeakPolarHBondContact O-CB 3.36Å; P93-L96 PolarHBondContact O-N 3.35Å; P93-L96 VanDerWaalsContact O-N 3.09Å
94	H	90	Very high	94.7	Very high	181 Å²	181	79.7 Å²	79.7	84%	0.838	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.9	179.7	-173.6	64.5	0	0	0	112.2	I92 L96	I92-H94 PolarHBondContact O-N 3.4Å; H94-L96 PolarHBondContact O-N 3.07Å
95	E	91.6	Very high	94.6	Very high	124 Å²	124	81.1 Å²	81.1	58%	0.579	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-17	173	-58.5	85	171.4	0	0	112.5	M1 P93	M1-E95 PolarHBondContact N-OE1 2.92Å; P93-E95 WeakPolarHBondContact CB-OE2 3.28Å; P93-E95 PolarHBondContact O-N 3.36Å
96	L	92.4	Very high	94.6	Very high	73 Å²	73	80.8 Å²	80.8	38%	0.382	42%	0.415	S	S	.	.	S	Bend	trans	-82.5	131.3	173.4	-68.2	176.8	0	0	0	111	I92 P93 H94 A101	I92-L96 HydrophobicContact CG2-CD1 3.91Å; P93-L96 HydrophobicContact CB-CG 4.46Å; P93-L96 WeakPolarHBondContact O-CB 3.36Å; P93-L96 PolarHBondContact O-N 3.35Å; P93-L96 VanDerWaalsContact O-N 3.09Å; H94-L96 PolarHBondContact O-N 3.07Å; L96-A101 HydrophobicContact CB-CB 4.33Å
97	P	95	Very high	94.5	Very high	90 Å²	90	74.6 Å²	74.6	58%	0.584	40%	0.403	S	S	*	.			trans	-54.9	145.7	168.3	-24.2	33.9	0	0	0	111.3	D99 A100 A101	P97-D99 VanDerWaalsContact C-N 3.27Å; P97-D99 PolarHBondContact O-N 3.28Å; P97-A100 HydrophobicContact CB-CB 4.47Å; P97-A100 PolarHBondContact O-N 3.39Å; P97-A101 PolarHBondContact O-N 3.5Å
98	Q	93	Very high	94.4	Very high	140 Å²	140	76.7 Å²	76.7	65%	0.654	41%	0.412	S	S	*	.	H	α-helix	trans	-54.4	-40.4	-173.9	-175.2	175.6	-6.4	0	0	113.3	A101 R102	Q98-A101 WeakPolarHBondContact O-CB 3.36Å; Q98-A101 PolarHBondContact O-N 2.93Å; Q98-R102 WeakPolarHBondContact O-CB 3.47Å; Q98-R102 PolarHBondContact O-N 3.14Å
99	D	95.8	Very high	94.4	Very high	124 Å²	124	75.6 Å²	75.6	66%	0.663	41%	0.408	S	S	*	.	H	α-helix	trans	-67.9	-40	178.3	-63.9	-28.6	0	0	0	112.2	P97 R102 E103	P97-D99 VanDerWaalsContact C-N 3.27Å; P97-D99 PolarHBondContact O-N 3.28Å; D99-R102 WeakPolarHBondContact O-CB 3.47Å; D99-R102 PolarHBondContact O-N 2.94Å; D99-E103 WeakPolarHBondContact O-CG 3.46Å; D99-E103 PolarHBondContact O-N 3.37Å
100	A	95.9	Very high	94.5	Very high	42 Å²	42	77.1 Å²	77.1	35%	0.347	41%	0.41	S	S	.	.	H	α-helix	trans	-68.1	-39	176.1	0	0	0	0	0	111.4	P97 T104	P97-A100 HydrophobicContact CB-CB 4.47Å; P97-A100 PolarHBondContact O-N 3.39Å; A100-T104 WeakPolarHBondContact O-CB 3.36Å; A100-T104 PolarHBondContact O-N 3.42Å; A100-T104 PolarHBondContact O-OG1 2.93Å
101	A	94.3	Very high	94.6	Very high	16 Å²	16	81.6 Å²	81.6	13%	0.132	43%	0.429	C	S	.	.	H	α-helix	trans	-59.7	-47.8	172.6	0	0	0	0	0	111	I92 L96 P97 Q98 T104 V105	I92-A101 HydrophobicContact CG2-CB 3.58Å; L96-A101 HydrophobicContact CB-CB 4.33Å; P97-A101 PolarHBondContact O-N 3.5Å; Q98-A101 WeakPolarHBondContact O-CB 3.36Å; Q98-A101 PolarHBondContact O-N 2.93Å; A101-T104 PolarHBondContact O-N 3.48Å; A101-V105 WeakPolarHBondContact O-CG2 3.38Å; A101-V105 PolarHBondContact O-N 3.43Å
102	R	95.4	Very high	94.7	Very high	90 Å²	90	83.4 Å²	83.4	34%	0.34	43%	0.432	S	S	.	.	H	α-helix	trans	-57.5	-54.9	175.9	179.1	-167.1	-175.9	-99.5	3.1	111.7	E50 Q98 D99 T104 V105 L106	E50-R102 IonicContact OE1-CZ 3.47Å; E50-R102 IonicContact OE1-NE 3.33Å; E50-R102 PolarHBondContact OE1-NE 3.43Å; E50-R102 IonicContact OE1-NH2 2.73Å; E50-R102 PolarHBondContact OE1-NH2 3.45Å; E50-R102 WeakPolarHBondContact OE2-CD 3.48Å; E50-R102 IonicContact OE2-CZ 3.51Å; E50-R102 IonicContact OE2-NE 2.68Å; E50-R102 PolarHBondContact OE2-NE 2.91Å; E50-R102 IonicContact OE2-NH2 3.48Å; E50-R102 PolarHBondContact OE2-NH2 3.25Å; Q98-R102 WeakPolarHBondContact O-CB 3.47Å; Q98-R102 PolarHBondContact O-N 3.14Å; D99-R102 WeakPolarHBondContact O-CB 3.47Å; D99-R102 PolarHBondContact O-N 2.94Å; R102-T104 VanDerWaalsContact C-N 3.27Å; R102-T104 PolarHBondContact O-N 3.36Å; R102-V105 PolarHBondContact O-N 3.19Å; R102-V105 VanDerWaalsContact O-N 3.14Å; R102-L106 HydrophobicContact CG-CD1 4Å; R102-L106 HydrophobicContact CG-CG 4.41Å; R102-L106 WeakPolarHBondContact O-CG 3.42Å; R102-L106 PolarHBondContact O-N 3.42Å
103	E	96.8	Very high	94.9	Very high	89 Å²	89	86.2 Å²	86.2	42%	0.416	44%	0.442	S	S	.	.	H	α-helix	trans	-61.7	-36.6	-178.4	-71.4	-48.7	122.3	0	0	112.2	D99 L106 A107	D99-E103 WeakPolarHBondContact O-CG 3.46Å; D99-E103 PolarHBondContact O-N 3.37Å; E103-L106 PolarHBondContact O-N 2.92Å; E103-A107 VanDerWaalsContact O-CB 3.25Å; E103-A107 WeakPolarHBondContact O-CB 3.47Å; E103-A107 PolarHBondContact O-N 3.26Å
104	T	95.3	Very high	95	Very high	76 Å²	76	87.7 Å²	87.7	47%	0.466	45%	0.45	S	S	.	.	H	α-helix	trans	-60.1	-47.2	174.4	-58.8	0	0	0	0	111.4	A100 A101 R102 A107 F108	A100-T104 WeakPolarHBondContact O-CB 3.36Å; A100-T104 PolarHBondContact O-N 3.42Å; A100-T104 PolarHBondContact O-OG1 2.93Å; A101-T104 PolarHBondContact O-N 3.48Å; R102-T104 VanDerWaalsContact C-N 3.27Å; R102-T104 PolarHBondContact O-N 3.36Å; T104-A107 PolarHBondContact O-N 3.09Å; T104-F108 WeakPolarHBondContact O-CB 3.47Å; T104-F108 PolarHBondContact O-N 2.87Å
105	V	95.4	Very high	95.2	Very high	43 Å²	43	83 Å²	83	26%	0.261	43%	0.43	S	S	.	.	H	α-helix	trans	-63.5	-45.5	177.5	174.3	0	0	0	0	110.8	L90 I92 A101 R102 A107 F108 V109	L90-V105 HydrophobicContact CD1-CG2 4.28Å; I92-V105 HydrophobicContact CD1-CG2 3.66Å; I92-V105 HydrophobicContact CG1-CG2 3.84Å; A101-V105 WeakPolarHBondContact O-CG2 3.38Å; A101-V105 PolarHBondContact O-N 3.43Å; R102-V105 PolarHBondContact O-N 3.19Å; R102-V105 VanDerWaalsContact O-N 3.14Å; V105-A107 PolarHBondContact O-N 2.81Å; V105-F108 PolarHBondContact O-N 3.17Å; V105-V109 HydrophobicContact CG1-CG2 4.35Å; V105-V109 VanDerWaalsContact O-CG2 3.28Å; V105-V109 WeakPolarHBondContact O-CG2 3.48Å; V105-V109 PolarHBondContact O-N 2.88Å
106	L	97	Very high	95.4	Very high	11 Å²	11	80.8 Å²	80.8	6%	0.058	42%	0.422	C	S	.	.	H	α-helix	trans	-65.1	-40.5	-179.8	-66.1	178.6	0	0	0	112.2	V52 L54 R102 E103 V109 R110	V52-L106 HydrophobicContact CG2-CD2 3.74Å; L54-L106 HydrophobicContact CD1-CD2 4.1Å; R102-L106 HydrophobicContact CG-CD1 4Å; R102-L106 HydrophobicContact CG-CG 4.41Å; R102-L106 WeakPolarHBondContact O-CG 3.42Å; R102-L106 PolarHBondContact O-N 3.42Å; E103-L106 PolarHBondContact O-N 2.92Å; L106-V109 PolarHBondContact O-N 3.01Å; L106-R110 WeakPolarHBondContact O-CB 3.33Å; L106-R110 VanDerWaalsContact O-CG 3.27Å; L106-R110 WeakPolarHBondContact O-CG 3.43Å; L106-R110 PolarHBondContact O-N 3.48Å
107	A	96.9	Very high	95.6	Very high	52 Å²	52	81.3 Å²	81.3	43%	0.43	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-49.6	175.2	0	0	0	0	0	111	E103 T104 V105 V109 R110 E111	E103-A107 VanDerWaalsContact O-CB 3.25Å; E103-A107 WeakPolarHBondContact O-CB 3.47Å; E103-A107 PolarHBondContact O-N 3.26Å; T104-A107 PolarHBondContact O-N 3.09Å; V105-A107 PolarHBondContact O-N 2.81Å; A107-V109 VanDerWaalsContact C-N 3.32Å; A107-V109 PolarHBondContact O-N 2.7Å; A107-R110 PolarHBondContact O-N 3.33Å; A107-E111 WeakPolarHBondContact O-CB 3.25Å; A107-E111 PolarHBondContact O-N 3.36Å
108	F	95.8	Very high	95.6	Very high	83 Å²	83	80.8 Å²	80.8	36%	0.364	42%	0.415	S	S	.	.	H	α-helix	trans	-56.8	-45.2	176.3	173.4	-104.2	0	0	0	112.1	T104 V105 E111 N112 F113	T104-F108 WeakPolarHBondContact O-CB 3.47Å; T104-F108 PolarHBondContact O-N 2.87Å; V105-F108 PolarHBondContact O-N 3.17Å; F108-E111 PolarHBondContact O-N 2.83Å; F108-N112 WeakPolarHBondContact CD2-ND2 3.44Å; F108-N112 WeakPolarHBondContact O-CB 3.27Å; F108-N112 PolarHBondContact O-N 2.89Å; F108-N112 PolarHBondContact O-ND2 2.97Å; F108-F113 HydrophobicContact CD1-CE2 4.38Å; F108-F113 AromaticContact CE1-CE2 3.7Å; F108-F113 HydrophobicContact CE1-CE2 3.7Å; F108-F113 HydrophobicContact CE1-CZ 4.4Å; F108-F113 HydrophobicContact CZ-CE2 4.1Å; F108-F113 HydrophobicContact CZ-CZ 4.44Å
109	V	96.6	Very high	95.8	Very high	40 Å²	40	77.1 Å²	77.1	24%	0.242	40%	0.4	C	S	.	.	H	α-helix	trans	-67.3	-42.2	-179.2	175.5	0	0	0	0	111.7	L54 V105 L106 A107 E111 N112 F113	L54-V109 HydrophobicContact CD1-CB 4.11Å; L54-V109 HydrophobicContact CD1-CG1 3.74Å; V105-V109 HydrophobicContact CG1-CG2 4.35Å; V105-V109 VanDerWaalsContact O-CG2 3.28Å; V105-V109 WeakPolarHBondContact O-CG2 3.48Å; V105-V109 PolarHBondContact O-N 2.88Å; L106-V109 PolarHBondContact O-N 3.01Å; A107-V109 VanDerWaalsContact C-N 3.32Å; A107-V109 PolarHBondContact O-N 2.7Å; V109-E111 VanDerWaalsContact C-N 3.34Å; V109-E111 PolarHBondContact O-N 2.98Å; V109-N112 PolarHBondContact O-N 3.01Å; V109-F113 HydrophobicContact CB-CD2 4.48Å; V109-F113 HydrophobicContact CG1-CB 4.41Å; V109-F113 HydrophobicContact CG1-CD2 4.26Å; V109-F113 PolarHBondContact O-N 3.44Å
110	R	96.6	Very high	95.8	Very high	119 Å²	119	73.9 Å²	73.9	45%	0.449	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-39.6	177	-73.5	179.8	-167.7	120.5	-1.2	112.4	L54 L106 A107	L54-R110 HydrophobicContact CD1-CG 3.95Å; L106-R110 WeakPolarHBondContact O-CB 3.33Å; L106-R110 VanDerWaalsContact O-CG 3.27Å; L106-R110 WeakPolarHBondContact O-CG 3.43Å; L106-R110 PolarHBondContact O-N 3.48Å; A107-R110 PolarHBondContact O-N 3.33Å
111	E	97.1	Very high	95.8	Very high	159 Å²	159	76.2 Å²	76.2	74%	0.743	39%	0.385	S	S	*	.	H	α-helix	trans	-70.4	-32.3	-178.6	-177.4	178.2	-174.5	0	0	112.7	A107 F108 V109	A107-E111 WeakPolarHBondContact O-CB 3.25Å; A107-E111 PolarHBondContact O-N 3.36Å; F108-E111 PolarHBondContact O-N 2.83Å; V109-E111 VanDerWaalsContact C-N 3.34Å; V109-E111 PolarHBondContact O-N 2.98Å
112	N	96.2	Very high	95.9	Very high	88 Å²	88	80.8 Å²	80.8	47%	0.471	41%	0.405	S	S	.	.	H	α-helix	trans	-110.3	-20.6	-167.9	-68.1	-88.6	0	0	0	114.9	F108 V109	F108-N112 WeakPolarHBondContact CD2-ND2 3.44Å; F108-N112 WeakPolarHBondContact O-CB 3.27Å; F108-N112 PolarHBondContact O-N 2.89Å; F108-N112 PolarHBondContact O-ND2 2.97Å; V109-N112 PolarHBondContact O-N 3.01Å
113	F	95	Very high	95.9	Very high	117 Å²	117	80.1 Å²	80.1	51%	0.513	41%	0.41	S	S	.	.	H	α-helix	trans	-135.2	-2.9	-169.4	-52.8	-67.1	0	0	0	115.5	I88 F108 V109	I88-F113 HydrophobicContact CD1-CE1 3.72Å; I88-F113 HydrophobicContact CD1-CE2 3.85Å; I88-F113 HydrophobicContact CD1-CZ 3.25Å; F108-F113 HydrophobicContact CD1-CE2 4.38Å; F108-F113 AromaticContact CE1-CE2 3.7Å; F108-F113 HydrophobicContact CE1-CE2 3.7Å; F108-F113 HydrophobicContact CE1-CZ 4.4Å; F108-F113 HydrophobicContact CZ-CE2 4.1Å; F108-F113 HydrophobicContact CZ-CZ 4.44Å; V109-F113 HydrophobicContact CB-CD2 4.48Å; V109-F113 HydrophobicContact CG1-CB 4.41Å; V109-F113 HydrophobicContact CG1-CD2 4.26Å; V109-F113 PolarHBondContact O-N 3.44Å
114	V	92.5	Very high	95.9	Very high	84 Å²	84	79.3 Å²	79.3	51%	0.509	41%	0.41	S	S	.	.			trans	-113.5	0	178.1	-177.5	0	0	0	0	109.5	L54 P56	L54-V114 HydrophobicContact CB-CG2 3.78Å; L54-V114 HydrophobicContact CD1-CG2 4.45Å; P56-V114 HydrophobicContact CG-CG1 4.37Å

Retrieved 114 of 114 residues in 51.3 ms (Link to these results)

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