A0A087WUG3_HUMAN Loading...

Asparaginase and isoaspartyl peptidase 1

AlphaFold DB , UniProt , Accession A0A087WUG3, Species HUMAN (Homo sapiens, Human), Gene ASRGL1, Length 164 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	90.6	Very high	97.2	Very high	229 Å²	229	101.5 Å²	101.5	100%	1.128	63%	0.628	S	S	*	*				0	137.4	0	-72.8	-70.7	-84.5	0	0	107.5
2	N	97.1	Very high	97	Very high	150 Å²	150	100.8 Å²	100.8	80%	0.802	64%	0.639	S	S	*	*			trans	-73.6	126	171.9	-67.2	2.6	0	0	0	107.8
3	P	98.1	Very high	96.4	Very high	59 Å²	59	97.3 Å²	97.3	38%	0.383	63%	0.634	S	S	.	*			trans	-65	147.6	-178.1	-19	30.9	0	0	0	111.9	L38	P3-L38 HydrophobicContact CB-CB 3.73Å; P3-L38 HydrophobicContact CB-CD1 3.91Å; P3-L38 HydrophobicContact CB-CD2 4.45Å; P3-L38 HydrophobicContact CB-CG 4.24Å; P3-L38 HydrophobicContact CG-CB 4.41Å
4	I	98.7	Very high	96.2	Very high	138 Å²	138	100.4 Å²	100.4	71%	0.708	65%	0.654	S	S	*	*			trans	-138.8	137.8	176.8	-61.2	172.9	0	0	0	107.5	V6	I4-V6 HydrophobicContact CG2-CG2 4.12Å
5	V	98.8	Very high	96.2	Very high	28 Å²	28	98.1 Å²	98.1	17%	0.17	63%	0.633	C	S	.	*			trans	-126.1	139.2	166.3	67.4	0	0	0	0	108.5	V7 Y35 L38	V5-V7 HydrophobicContact CG2-CG1 4.41Å; V5-Y35 HydrophobicContact CG1-CD2 4.17Å; V5-Y35 HydrophobicContact CG1-CG 4.46Å; V5-L38 HydrophobicContact CB-CD1 3.95Å
6	V	98.8	Very high	96.1	Very high	126 Å²	126	95.4 Å²	95.4	76%	0.764	62%	0.617	S	S	*	*			trans	-127.9	135.1	173.9	-178.7	0	0	0	0	107.3	I4	I4-V6 HydrophobicContact CG2-CG2 4.12Å
7	V	98.8	Very high	95.9	Very high	35 Å²	35	100.9 Å²	100.9	21%	0.212	63%	0.629	C	S	.	*			trans	-125.3	155	178.7	-60.4	0	0	0	0	109.5	V5 A30 A31 A51	V5-V7 HydrophobicContact CG2-CG1 4.41Å; V7-A30 HydrophobicContact CB-CB 4.48Å; V7-A30 HydrophobicContact CG1-CB 4.2Å; V7-A30 HydrophobicContact CG2-CB 4.38Å; V7-A31 HydrophobicContact CG2-CB 3.96Å; V7-A51 HydrophobicContact CG1-CB 3.83Å
8	H	98.8	Very high	95.6	Very high	157 Å²	157	100.7 Å²	100.7	73%	0.727	62%	0.623	S	S	*	*			trans	-143.6	153.7	176.9	68.3	83	0	0	0	111.6
9	G	97.6	Very high	95.6	Very high	28 Å²	28	97.4 Å²	97.4	29%	0.289	60%	0.598	S	S	.	*			trans	-92.1	-153.1	164.8	0	0	0	0	0	111.3	M27	G9-M27 PolarHBondContact N-SD 3.08Å; G9-M27 VanDerWaalsContact N-SD 3.4Å
10	G	96	Very high	95.7	Very high	72 Å²	72	98.8 Å²	98.8	74%	0.742	60%	0.595	S	S	*	*			trans	-78.3	130.2	174.7	0	0	0	0	0	113.1	A12	G10-A12 PolarHBondContact O-N 3.41Å; G10-A12 VanDerWaalsContact O-N 3.09Å
11	G	95.8	Very high	95.7	Very high	95 Å²	95	99 Å²	99	98%	0.979	59%	0.59	S	S	*	*			trans	-78.1	81.6	168.9	0	0	0	0	0	111.3
12	A	94.5	Very high	96.1	Very high	92 Å²	92	93 Å²	93	76%	0.76	56%	0.555	S	S	*	*			trans	-132.3	-161.9	-170.8	0	0	0	0	0	113	G10	G10-A12 PolarHBondContact O-N 3.41Å; G10-A12 VanDerWaalsContact O-N 3.09Å
13	G	89.8	Confident	96.1	Very high	56 Å²	56	87 Å²	87	58%	0.577	52%	0.523	S	S	*	.	S	Bend	trans	-69.5	-177.7	176.9	0	0	0	0	0	114.7
14	P	93.8	Very high	96.1	Very high	140 Å²	140	89.1 Å²	89.1	91%	0.909	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-57.6	139.2	-174.2	-24.3	33.8	0	0	0	113.8
15	I	95.8	Very high	96.1	Very high	67 Å²	67	86.4 Å²	86.4	34%	0.344	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-94.1	128.4	173.9	-56.3	176.2	0	0	0	109.1	R19 K20 V23	I15-R19 HydrophobicContact CG2-CB 3.62Å; I15-K20 HydrophobicContact CB-CG 4.27Å; I15-K20 HydrophobicContact CG2-CG 3.94Å; I15-K20 VanDerWaalsContact O-CE 3.28Å; I15-K20 WeakPolarHBondContact O-CE 3.45Å; I15-V23 HydrophobicContact CD1-CG1 4.43Å; I15-V23 HydrophobicContact CG2-CG2 4.49Å
16	S	94.3	Very high	96.1	Very high	54 Å²	54	85.1 Å²	85.1	38%	0.378	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-62.9	150.4	176.8	61.1	0	0	0	0	111.9	D18 R19 K20	S16-D18 VanDerWaalsContact C-N 3.28Å; S16-D18 WeakPolarHBondContact CB-OD1 3.47Å; S16-D18 PolarHBondContact O-N 3.28Å; S16-D18 PolarHBondContact OG-OD1 2.91Å; S16-R19 PolarHBondContact O-N 2.78Å; S16-R19 WeakPolarHBondContact OG-CD 3.41Å; S16-R19 WeakPolarHBondContact OG-CG 3.4Å; S16-K20 PolarHBondContact O-N 3.44Å
17	K	93.2	Very high	96.1	Very high	190 Å²	190	80.8 Å²	80.8	83%	0.826	48%	0.476	S	S	*	.	H	α-helix	trans	-57.4	-40	-174.9	-72.7	-174.7	178.3	178.8	0	112.9	R19 K20	K17-R19 PolarHBondContact O-N 3.32Å; K17-K20 PolarHBondContact O-N 3.26Å
18	D	91.1	Very high	96.1	Very high	97 Å²	97	82.4 Å²	82.4	52%	0.519	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-29.2	179.6	67.3	-66.4	0	0	0	112.9	S16 R22	S16-D18 VanDerWaalsContact C-N 3.28Å; S16-D18 WeakPolarHBondContact CB-OD1 3.47Å; S16-D18 PolarHBondContact O-N 3.28Å; S16-D18 PolarHBondContact OG-OD1 2.91Å; D18-R22 VanDerWaalsContact O-CZ 3.26Å; D18-R22 PolarHBondContact O-NH1 3.08Å; D18-R22 PolarHBondContact O-NH2 3.1Å; D18-R22 IonicContact OD2-NH2 4Å; D18-R22 PolarHBondContact OD2-NH2 2.66Å; D18-R22 VanDerWaalsContact OD2-NH2 3.13Å
19	R	95.3	Very high	96.1	Very high	38 Å²	38	80.3 Å²	80.3	14%	0.143	47%	0.472	C	S	.	.	H	α-helix	trans	-87.7	-28.4	179.4	-71.4	-175.9	65.9	-157.2	7.8	113.9	I15 S16 K17 E21 R22 V23 E60 R143	I15-R19 HydrophobicContact CG2-CB 3.62Å; S16-R19 PolarHBondContact O-N 2.78Å; S16-R19 WeakPolarHBondContact OG-CD 3.41Å; S16-R19 WeakPolarHBondContact OG-CG 3.4Å; K17-R19 PolarHBondContact O-N 3.32Å; R19-E21 PolarHBondContact O-N 3.4Å; R19-R22 PolarHBondContact O-N 3.19Å; R19-R22 VanDerWaalsContact O-N 3.09Å; R19-V23 WeakPolarHBondContact O-CG2 3.39Å; R19-V23 PolarHBondContact O-N 3Å; R19-E60 IonicContact CZ-OE1 2.79Å; R19-E60 IonicContact NE-OE1 3.19Å; R19-E60 PolarHBondContact NE-OE1 3.33Å; R19-E60 PolarHBondContact NH2-O 2.98Å; R19-E60 IonicContact NH2-OE1 2.78Å; R19-E60 PolarHBondContact NH2-OE1 2.94Å; R19-R143 VanDerWaalsContact CD-NH1 3.3Å; R19-R143 VanDerWaalsContact CZ-CZ 3.46Å; R19-R143 VanDerWaalsContact NE-CZ 3.29Å
20	K	96.7	Very high	96.2	Very high	124 Å²	124	79 Å²	79	54%	0.539	46%	0.458	S	S	.	.	H	α-helix	trans	-54.1	-41.6	-172.4	-79.6	-173.8	176.7	-172.3	0	112.2	I15 S16 K17 H24	I15-K20 HydrophobicContact CB-CG 4.27Å; I15-K20 HydrophobicContact CG2-CG 3.94Å; I15-K20 VanDerWaalsContact O-CE 3.28Å; I15-K20 WeakPolarHBondContact O-CE 3.45Å; S16-K20 PolarHBondContact O-N 3.44Å; K17-K20 PolarHBondContact O-N 3.26Å; K20-H24 VanDerWaalsContact O-CB 3.29Å; K20-H24 WeakPolarHBondContact O-CB 2.92Å; K20-H24 PolarHBondContact O-N 3.25Å
21	E	97.1	Very high	96.3	Very high	104 Å²	104	77.1 Å²	77.1	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-67.6	-43.9	179.3	-175.1	53.4	-144.6	0	0	112.2	R19 V23 H24 Q25	R19-E21 PolarHBondContact O-N 3.4Å; E21-V23 PolarHBondContact O-N 3.47Å; E21-H24 WeakPolarHBondContact O-CB 3.39Å; E21-H24 PolarHBondContact O-N 2.95Å; E21-H24 IonicContact OE1-ND1 3.44Å; E21-Q25 VanDerWaalsContact O-CG 3.28Å; E21-Q25 WeakPolarHBondContact O-CG 3.37Å; E21-Q25 PolarHBondContact O-N 3.22Å; E21-Q25 WeakPolarHBondContact OE1-CG 3.1Å; E21-Q25 PolarHBondContact OE1-NE2 2.91Å
22	R	97.8	Very high	96.5	Very high	104 Å²	104	76.9 Å²	76.9	39%	0.392	42%	0.415	S	S	.	.	H	α-helix	trans	-62.6	-43.1	176.5	-67.9	-170.2	-66	-80.4	-1.1	111.9	D18 R19 Q25 G26 E60	D18-R22 VanDerWaalsContact O-CZ 3.26Å; D18-R22 PolarHBondContact O-NH1 3.08Å; D18-R22 PolarHBondContact O-NH2 3.1Å; D18-R22 IonicContact OD2-NH2 4Å; D18-R22 PolarHBondContact OD2-NH2 2.66Å; D18-R22 VanDerWaalsContact OD2-NH2 3.13Å; R19-R22 PolarHBondContact O-N 3.19Å; R19-R22 VanDerWaalsContact O-N 3.09Å; R22-Q25 PolarHBondContact O-N 3.44Å; R22-G26 PolarHBondContact O-N 3.03Å; R22-E60 HydrophobicContact CB-CG 3.98Å; R22-E60 IonicContact CZ-OE2 2.76Å; R22-E60 IonicContact NE-OE2 3.64Å; R22-E60 PolarHBondContact NE-OE2 3.23Å; R22-E60 IonicContact NH2-OE2 2.72Å
23	V	98.1	Very high	96.7	Very high	22 Å²	22	75.5 Å²	75.5	13%	0.133	40%	0.397	C	S	.	.	H	α-helix	trans	-62.2	-45.8	175.1	173.3	0	0	0	0	110.7	I15 R19 E21 Q25 G26 M27 E60 F61	I15-V23 HydrophobicContact CD1-CG1 4.43Å; I15-V23 HydrophobicContact CG2-CG2 4.49Å; R19-V23 WeakPolarHBondContact O-CG2 3.39Å; R19-V23 PolarHBondContact O-N 3Å; E21-V23 PolarHBondContact O-N 3.47Å; V23-Q25 PolarHBondContact O-N 3.31Å; V23-G26 PolarHBondContact O-N 2.88Å; V23-M27 HydrophobicContact CG1-CG 4.28Å; V23-M27 WeakPolarHBondContact O-CG 3.49Å; V23-M27 PolarHBondContact O-N 3.29Å; V23-E60 HydrophobicContact CG2-CG 3.75Å; V23-F61 HydrophobicContact CG1-CE1 4.39Å; V23-F61 HydrophobicContact CG1-CZ 4.37Å
24	H	98.3	Very high	97.1	Very high	104 Å²	104	72.9 Å²	72.9	48%	0.481	37%	0.37	S	S	.	.	H	α-helix	trans	-57.1	-49.1	176.9	170.7	-104.2	0	0	0	111.4	K20 E21 G26 M27 V28	K20-H24 VanDerWaalsContact O-CB 3.29Å; K20-H24 WeakPolarHBondContact O-CB 2.92Å; K20-H24 PolarHBondContact O-N 3.25Å; E21-H24 WeakPolarHBondContact O-CB 3.39Å; E21-H24 PolarHBondContact O-N 2.95Å; E21-H24 IonicContact OE1-ND1 3.44Å; H24-G26 VanDerWaalsContact C-N 3.35Å; H24-G26 PolarHBondContact O-N 2.74Å; H24-M27 PolarHBondContact O-N 3.45Å; H24-V28 WeakPolarHBondContact O-CG2 3.46Å; H24-V28 PolarHBondContact O-N 2.98Å
25	Q	98.5	Very high	97.3	Very high	81 Å²	81	71.3 Å²	71.3	38%	0.379	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-42.2	178.4	-68.6	170.8	7.8	0	0	112.4	E21 R22 V23 V28 R29	E21-Q25 VanDerWaalsContact O-CG 3.28Å; E21-Q25 WeakPolarHBondContact O-CG 3.37Å; E21-Q25 PolarHBondContact O-N 3.22Å; E21-Q25 WeakPolarHBondContact OE1-CG 3.1Å; E21-Q25 PolarHBondContact OE1-NE2 2.91Å; R22-Q25 PolarHBondContact O-N 3.44Å; V23-Q25 PolarHBondContact O-N 3.31Å; Q25-V28 PolarHBondContact O-N 2.76Å; Q25-R29 WeakPolarHBondContact O-CB 3.48Å; Q25-R29 WeakPolarHBondContact O-CG 3.45Å; Q25-R29 PolarHBondContact O-N 3.41Å
26	G	98.7	Very high	97.5	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-43.5	176.2	0	0	0	0	0	113.2	R22 V23 H24 V28 R29 A30 D58	R22-G26 PolarHBondContact O-N 3.03Å; V23-G26 PolarHBondContact O-N 2.88Å; H24-G26 VanDerWaalsContact C-N 3.35Å; H24-G26 PolarHBondContact O-N 2.74Å; G26-V28 PolarHBondContact O-N 3.05Å; G26-R29 PolarHBondContact O-N 3.15Å; G26-A30 PolarHBondContact O-N 2.93Å; G26-D58 WeakPolarHBondContact CA-OD2 3.49Å
27	M	98.8	Very high	97.7	Very high	36 Å²	36	68.8 Å²	68.8	18%	0.177	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-43	175.6	-63.1	-77.7	77.4	0	0	111.9	G9 V23 H24 A30 A31 L55 F61	G9-M27 PolarHBondContact N-SD 3.08Å; G9-M27 VanDerWaalsContact N-SD 3.4Å; V23-M27 HydrophobicContact CG1-CG 4.28Å; V23-M27 WeakPolarHBondContact O-CG 3.49Å; V23-M27 PolarHBondContact O-N 3.29Å; H24-M27 PolarHBondContact O-N 3.45Å; M27-A30 PolarHBondContact O-N 3.29Å; M27-A31 WeakPolarHBondContact O-CB 3.33Å; M27-A31 PolarHBondContact O-N 3.47Å; M27-L55 HydrophobicContact CE-CD1 3.69Å; M27-L55 HydrophobicContact CE-CD2 3.27Å; M27-L55 HydrophobicContact CE-CG 4.13Å; M27-F61 HydrophobicContact CE-CD1 4.03Å; M27-F61 HydrophobicContact CE-CE1 3.19Å; M27-F61 HydrophobicContact CE-CZ 3.55Å; M27-F61 HydrophobicContact CG-CE1 4.3Å; M27-F61 HydrophobicContact CG-CZ 4.2Å; M27-F61 HydrophobicContact SD-CE1 4Å; M27-F61 HydrophobicContact SD-CZ 4.44Å
28	V	98.8	Very high	98	Very high	68 Å²	68	60.9 Å²	60.9	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-42.3	176.5	171.1	0	0	0	0	111.1	H24 Q25 G26 T32	H24-V28 WeakPolarHBondContact O-CG2 3.46Å; H24-V28 PolarHBondContact O-N 2.98Å; Q25-V28 PolarHBondContact O-N 2.76Å; G26-V28 PolarHBondContact O-N 3.05Å; V28-T32 WeakPolarHBondContact O-CB 3.36Å; V28-T32 PolarHBondContact O-N 3Å; V28-T32 PolarHBondContact O-OG1 3.22Å
29	R	98.9	Very high	98.3	Very high	114 Å²	114	65.6 Å²	65.6	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-59.3	-52.2	175.4	-78.7	-170.6	-65.5	-91.8	2.6	111.3	Q25 G26 A31 T32 V33 D58	Q25-R29 WeakPolarHBondContact O-CB 3.48Å; Q25-R29 WeakPolarHBondContact O-CG 3.45Å; Q25-R29 PolarHBondContact O-N 3.41Å; G26-R29 PolarHBondContact O-N 3.15Å; R29-A31 PolarHBondContact O-N 3.06Å; R29-T32 PolarHBondContact O-N 3.44Å; R29-T32 VanDerWaalsContact O-N 3.16Å; R29-V33 WeakPolarHBondContact O-CG2 3.45Å; R29-V33 PolarHBondContact O-N 3.17Å; R29-D58 IonicContact CZ-OD2 2.66Å; R29-D58 IonicContact NE-OD2 3.93Å; R29-D58 IonicContact NH2-OD2 4Å; R29-D58 PolarHBondContact NH2-OD2 2.94Å
30	A	98.9	Very high	98.5	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.6	-45.6	179.9	0	0	0	0	0	112.5	V7 G26 M27 T32 V33 G34 A51 A54 L55	V7-A30 HydrophobicContact CB-CB 4.48Å; V7-A30 HydrophobicContact CG1-CB 4.2Å; V7-A30 HydrophobicContact CG2-CB 4.38Å; G26-A30 PolarHBondContact O-N 2.93Å; M27-A30 PolarHBondContact O-N 3.29Å; A30-T32 VanDerWaalsContact C-N 3.31Å; A30-T32 PolarHBondContact O-N 3.47Å; A30-V33 PolarHBondContact O-N 3.43Å; A30-G34 PolarHBondContact O-N 2.98Å; A30-A51 WeakPolarHBondContact CB-O 3.29Å; A30-A51 WeakPolarHBondContact O-CB 3.45Å; A30-A54 HydrophobicContact CB-CB 4.31Å; A30-L55 HydrophobicContact CB-CD1 4.2Å; A30-L55 HydrophobicContact CB-CD2 3.58Å; A30-L55 HydrophobicContact CB-CG 3.69Å
31	A	98.9	Very high	98.6	Very high	32 Å²	32	69.5 Å²	69.5	26%	0.264	35%	0.353	S	S	.	.	H	α-helix	trans	-61.9	-40.5	176.1	0	0	0	0	0	111.9	V7 M27 R29 Y35	V7-A31 HydrophobicContact CG2-CB 3.96Å; M27-A31 WeakPolarHBondContact O-CB 3.33Å; M27-A31 PolarHBondContact O-N 3.47Å; R29-A31 PolarHBondContact O-N 3.06Å; A31-Y35 WeakPolarHBondContact O-CB 3.42Å; A31-Y35 PolarHBondContact O-N 3.09Å
32	T	98.8	Very high	98.6	Very high	91 Å²	91	65.9 Å²	65.9	56%	0.558	34%	0.344	S	S	*	.	H	α-helix	trans	-67.5	-42.5	-180	-61.9	0	0	0	0	111.6	V28 R29 A30 G36	V28-T32 WeakPolarHBondContact O-CB 3.36Å; V28-T32 PolarHBondContact O-N 3Å; V28-T32 PolarHBondContact O-OG1 3.22Å; R29-T32 PolarHBondContact O-N 3.44Å; R29-T32 VanDerWaalsContact O-N 3.16Å; A30-T32 VanDerWaalsContact C-N 3.31Å; A30-T32 PolarHBondContact O-N 3.47Å; T32-G36 PolarHBondContact O-N 3.02Å
33	V	98.9	Very high	98.7	Very high	63 Å²	63	63.4 Å²	63.4	38%	0.382	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-54	175.7	169.8	0	0	0	0	110.3	R29 A30 Y35 G36 I37 G50 A54	R29-V33 WeakPolarHBondContact O-CG2 3.45Å; R29-V33 PolarHBondContact O-N 3.17Å; A30-V33 PolarHBondContact O-N 3.43Å; V33-Y35 VanDerWaalsContact C-N 3.33Å; V33-Y35 PolarHBondContact O-N 2.88Å; V33-G36 PolarHBondContact O-N 3.24Å; V33-I37 HydrophobicContact CG1-CD1 4.41Å; V33-I37 PolarHBondContact O-N 2.91Å; V33-G50 WeakPolarHBondContact CG1-O 3.43Å; V33-A54 HydrophobicContact CG2-CB 4.4Å
34	G	98.8	Very high	98.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.8	-41.9	180	0	0	0	0	0	112.5	A30 I37 L38 A47	A30-G34 PolarHBondContact O-N 2.98Å; G34-I37 PolarHBondContact O-N 3.07Å; G34-L38 WeakPolarHBondContact O-CG 3.28Å; G34-L38 PolarHBondContact O-N 2.85Å; G34-A47 WeakPolarHBondContact CA-O 3.49Å; G34-A47 WeakPolarHBondContact O-CB 3.4Å
35	Y	98.8	Very high	98.7	Very high	107 Å²	107	61 Å²	61	42%	0.42	34%	0.342	S	S	.	.	H	α-helix	trans	-70.6	-32.6	178.6	-162.7	-112.7	0	0	0	112.5	V5 A31 V33 L38 R39	V5-Y35 HydrophobicContact CG1-CD2 4.17Å; V5-Y35 HydrophobicContact CG1-CG 4.46Å; A31-Y35 WeakPolarHBondContact O-CB 3.42Å; A31-Y35 PolarHBondContact O-N 3.09Å; V33-Y35 VanDerWaalsContact C-N 3.33Å; V33-Y35 PolarHBondContact O-N 2.88Å; Y35-L38 HydrophobicContact CD2-CD1 4.44Å; Y35-L38 PolarHBondContact O-N 2.83Å; Y35-R39 HydrophobicContact CD1-CG 3.93Å; Y35-R39 HydrophobicContact CE1-CG 3.77Å; Y35-R39 WeakPolarHBondContact O-CB 2.76Å; Y35-R39 VanDerWaalsContact O-CG 3.32Å; Y35-R39 WeakPolarHBondContact O-CG 3.49Å; Y35-R39 PolarHBondContact O-N 3.14Å
36	G	98.8	Very high	98.7	Very high	26 Å²	26	59.7 Å²	59.7	27%	0.268	34%	0.337	S	S	.	.	H	α-helix	trans	-57.6	-49.6	173	0	0	0	0	0	111.8	T32 V33 L38 R39 E40	T32-G36 PolarHBondContact O-N 3.02Å; V33-G36 PolarHBondContact O-N 3.24Å; G36-L38 VanDerWaalsContact C-N 3.33Å; G36-L38 PolarHBondContact O-N 3.13Å; G36-R39 WeakPolarHBondContact O-CB 3.25Å; G36-R39 PolarHBondContact O-N 3.25Å; G36-R39 VanDerWaalsContact O-N 3.12Å; G36-E40 PolarHBondContact O-N 3.06Å; G36-E40 VanDerWaalsContact O-N 3.12Å
37	I	98.9	Very high	98.7	Very high	43 Å²	43	59.7 Å²	59.7	22%	0.221	34%	0.338	C	S	.	.	H	α-helix	trans	-57.2	-46.6	176.2	-66.3	168.5	0	0	0	111	V33 G34 R39 E40 G41 G42 D46 A47	V33-I37 HydrophobicContact CG1-CD1 4.41Å; V33-I37 PolarHBondContact O-N 2.91Å; G34-I37 PolarHBondContact O-N 3.07Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 2.82Å; I37-E40 PolarHBondContact O-N 3.12Å; I37-G41 PolarHBondContact O-N 3.27Å; I37-G42 WeakPolarHBondContact O-CA 3.28Å; I37-G42 PolarHBondContact O-N 3.07Å; I37-D46 WeakPolarHBondContact CD1-O 3.07Å; I37-D46 HydrophobicContact CG2-CB 3.64Å; I37-A47 HydrophobicContact CB-CB 4.41Å; I37-A47 HydrophobicContact CG2-CB 4.24Å
38	L	98.8	Very high	98.8	Very high	24 Å²	24	61.2 Å²	61.2	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-37.2	177.8	-66.9	174.9	0	0	0	112.9	P3 V5 G34 Y35 G36 E40 G41 A47	P3-L38 HydrophobicContact CB-CB 3.73Å; P3-L38 HydrophobicContact CB-CD1 3.91Å; P3-L38 HydrophobicContact CB-CD2 4.45Å; P3-L38 HydrophobicContact CB-CG 4.24Å; P3-L38 HydrophobicContact CG-CB 4.41Å; V5-L38 HydrophobicContact CB-CD1 3.95Å; G34-L38 WeakPolarHBondContact O-CG 3.28Å; G34-L38 PolarHBondContact O-N 2.85Å; Y35-L38 HydrophobicContact CD2-CD1 4.44Å; Y35-L38 PolarHBondContact O-N 2.83Å; G36-L38 VanDerWaalsContact C-N 3.33Å; G36-L38 PolarHBondContact O-N 3.13Å; L38-E40 VanDerWaalsContact C-N 3.27Å; L38-E40 PolarHBondContact O-N 3.01Å; L38-G41 PolarHBondContact O-N 3.3Å; L38-A47 HydrophobicContact CD1-CB 4.14Å; L38-A47 HydrophobicContact CD2-CB 3.59Å; L38-A47 HydrophobicContact CG-CB 3.57Å
39	R	98.5	Very high	98.8	Very high	196 Å²	196	59.5 Å²	59.5	74%	0.74	34%	0.336	S	S	*	.	H	α-helix	trans	-67.2	-29.2	178.1	-78.7	-174.9	68.7	-167.8	-1.8	112.9	Y35 G36 I37	Y35-R39 HydrophobicContact CD1-CG 3.93Å; Y35-R39 HydrophobicContact CE1-CG 3.77Å; Y35-R39 WeakPolarHBondContact O-CB 2.76Å; Y35-R39 VanDerWaalsContact O-CG 3.32Å; Y35-R39 WeakPolarHBondContact O-CG 3.49Å; Y35-R39 PolarHBondContact O-N 3.14Å; G36-R39 WeakPolarHBondContact O-CB 3.25Å; G36-R39 PolarHBondContact O-N 3.25Å; G36-R39 VanDerWaalsContact O-N 3.12Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 2.82Å
40	E	98.5	Very high	98.8	Very high	174 Å²	174	54.8 Å²	54.8	81%	0.813	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	1.2	177.4	-67.8	176.1	-176.8	0	0	112.7	G36 I37 L38	G36-E40 PolarHBondContact O-N 3.06Å; G36-E40 VanDerWaalsContact O-N 3.12Å; I37-E40 PolarHBondContact O-N 3.12Å; L38-E40 VanDerWaalsContact C-N 3.27Å; L38-E40 PolarHBondContact O-N 3.01Å
41	G	98.2	Very high	98.8	Very high	69 Å²	69	55 Å²	55	71%	0.711	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	14.2	-179.6	0	0	0	0	0	114.2	I37 L38	I37-G41 PolarHBondContact O-N 3.27Å; L38-G41 PolarHBondContact O-N 3.3Å
42	G	98.4	Very high	98.8	Very high	29 Å²	29	56 Å²	56	30%	0.299	33%	0.327	S	S	.	.			trans	-64.9	165.5	172.5	0	0	0	0	0	113.1	I37	I37-G42 WeakPolarHBondContact O-CA 3.28Å; I37-G42 PolarHBondContact O-N 3.07Å
43	S	98.7	Very high	98.8	Very high	51 Å²	51	52.9 Å²	52.9	36%	0.357	31%	0.309	S	S	.	.			trans	-77.7	165.3	-177.7	74.5	0	0	0	0	112.7	V45 D46 A47	S43-V45 VanDerWaalsContact C-N 3.28Å; S43-V45 PolarHBondContact O-N 2.98Å; S43-V45 PolarHBondContact OG-N 3.36Å; S43-D46 VanDerWaalsContact CB-OD2 3.32Å; S43-D46 WeakPolarHBondContact CB-OD2 3.35Å; S43-D46 PolarHBondContact N-OD2 3.38Å; S43-D46 PolarHBondContact O-N 3.37Å; S43-D46 PolarHBondContact OG-N 3.03Å; S43-D46 VanDerWaalsContact OG-N 3.09Å; S43-D46 PolarHBondContact OG-OD2 3.29Å; S43-A47 PolarHBondContact O-N 3.17Å; S43-A47 VanDerWaalsContact O-N 3.08Å
44	A	98.8	Very high	98.8	Very high	69 Å²	69	51 Å²	51	57%	0.57	30%	0.3	S	S	*	.	H	α-helix	trans	-60.9	-38.3	172.6	0	0	0	0	0	111.9	A47 V48	A44-A47 PolarHBondContact O-N 2.91Å; A44-V48 WeakPolarHBondContact O-CG2 3.5Å; A44-V48 PolarHBondContact O-N 3.44Å; A44-V48 VanDerWaalsContact O-N 3.09Å
45	V	98.9	Very high	98.8	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.048	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-45.7	177	176.5	0	0	0	0	110.8	S43 A47 V48 E49 I81 D83 M109	S43-V45 VanDerWaalsContact C-N 3.28Å; S43-V45 PolarHBondContact O-N 2.98Å; S43-V45 PolarHBondContact OG-N 3.36Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.39Å; V45-V48 WeakPolarHBondContact O-CG2 3.32Å; V45-V48 PolarHBondContact O-N 3.01Å; V45-E49 WeakPolarHBondContact O-CB 3.48Å; V45-E49 PolarHBondContact O-N 3.26Å; V45-I81 HydrophobicContact CG1-CD1 3.75Å; V45-I81 HydrophobicContact CG1-CG1 4.36Å; V45-D83 HydrophobicContact CG2-CB 3.76Å; V45-M109 HydrophobicContact CG1-CE 4.02Å
46	D	98.9	Very high	98.8	Very high	52 Å²	52	46.9 Å²	46.9	28%	0.278	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-42.3	176.9	-58.4	-43.3	0	0	0	111.2	I37 S43 G50 R106	I37-D46 WeakPolarHBondContact CD1-O 3.07Å; I37-D46 HydrophobicContact CG2-CB 3.64Å; S43-D46 VanDerWaalsContact CB-OD2 3.32Å; S43-D46 WeakPolarHBondContact CB-OD2 3.35Å; S43-D46 PolarHBondContact N-OD2 3.38Å; S43-D46 PolarHBondContact O-N 3.37Å; S43-D46 PolarHBondContact OG-N 3.03Å; S43-D46 VanDerWaalsContact OG-N 3.09Å; S43-D46 PolarHBondContact OG-OD2 3.29Å; D46-G50 PolarHBondContact O-N 2.91Å; D46-R106 IonicContact OD1-CZ 3.11Å; D46-R106 IonicContact OD1-NH1 3.7Å; D46-R106 PolarHBondContact OD1-NH1 2.86Å; D46-R106 IonicContact OD1-NH2 2.8Å; D46-R106 PolarHBondContact OD1-NH2 3.5Å
47	A	98.9	Very high	98.8	Very high	2 Å²	2	50 Å²	50	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-64.9	-43.6	-178.2	0	0	0	0	0	112.8	G34 I37 L38 S43 A44 V45 A51	G34-A47 WeakPolarHBondContact CA-O 3.49Å; G34-A47 WeakPolarHBondContact O-CB 3.4Å; I37-A47 HydrophobicContact CB-CB 4.41Å; I37-A47 HydrophobicContact CG2-CB 4.24Å; L38-A47 HydrophobicContact CD1-CB 4.14Å; L38-A47 HydrophobicContact CD2-CB 3.59Å; L38-A47 HydrophobicContact CG-CB 3.57Å; S43-A47 PolarHBondContact O-N 3.17Å; S43-A47 VanDerWaalsContact O-N 3.08Å; A44-A47 PolarHBondContact O-N 2.91Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.39Å; A47-A51 WeakPolarHBondContact O-CB 3.27Å; A47-A51 PolarHBondContact O-N 3.24Å
48	V	98.9	Very high	98.8	Very high	67 Å²	67	48.8 Å²	48.8	41%	0.406	29%	0.289	S	S	.	.	H	α-helix	trans	-74.4	-37.4	179.2	-59.8	0	0	0	0	111.9	A44 V45 A51 V52 I81	A44-V48 WeakPolarHBondContact O-CG2 3.5Å; A44-V48 PolarHBondContact O-N 3.44Å; A44-V48 VanDerWaalsContact O-N 3.09Å; V45-V48 WeakPolarHBondContact O-CG2 3.32Å; V45-V48 PolarHBondContact O-N 3.01Å; V48-A51 PolarHBondContact O-N 3.12Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.39Å; V48-V52 PolarHBondContact O-N 2.86Å; V48-I81 HydrophobicContact CG2-CD1 4Å; V48-I81 HydrophobicContact CG2-CG1 4.26Å
49	E	98.9	Very high	98.7	Very high	32 Å²	32	51 Å²	51	15%	0.15	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-51.8	172.6	-176.7	-171.8	-141	0	0	110.1	V45 A51 V52 V53 I81 I102 K103 R106	V45-E49 WeakPolarHBondContact O-CB 3.48Å; V45-E49 PolarHBondContact O-N 3.26Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 3.04Å; E49-V52 PolarHBondContact O-N 3.44Å; E49-V53 HydrophobicContact CG-CG2 4.26Å; E49-V53 WeakPolarHBondContact O-CB 3.41Å; E49-V53 VanDerWaalsContact O-CG2 3.28Å; E49-V53 WeakPolarHBondContact O-CG2 3.43Å; E49-V53 PolarHBondContact O-N 2.78Å; E49-I81 HydrophobicContact CB-CD1 4.06Å; E49-I102 HydrophobicContact CG-CG2 4.31Å; E49-K103 HydrophobicContact CG-CG 4.4Å; E49-R106 WeakPolarHBondContact OE1-CD 3.29Å; E49-R106 WeakPolarHBondContact OE2-CD 3.49Å; E49-R106 IonicContact OE2-CZ 2.62Å; E49-R106 IonicContact OE2-NE 3.13Å; E49-R106 IonicContact OE2-NH1 3.73Å; E49-R106 PolarHBondContact OE2-NH1 3.44Å
50	G	98.9	Very high	98.7	Very high	16 Å²	16	42.8 Å²	42.8	17%	0.165	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-40.1	-179.5	0	0	0	0	0	113.3	V33 D46 A54	V33-G50 WeakPolarHBondContact CG1-O 3.43Å; D46-G50 PolarHBondContact O-N 2.91Å; G50-A54 PolarHBondContact O-N 2.8Å
51	A	98.9	Very high	98.7	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-41.9	176.3	0	0	0	0	0	112.4	V7 A30 A47 V48 E49 A54 L55	V7-A51 HydrophobicContact CG1-CB 3.83Å; A30-A51 WeakPolarHBondContact CB-O 3.29Å; A30-A51 WeakPolarHBondContact O-CB 3.45Å; A47-A51 WeakPolarHBondContact O-CB 3.27Å; A47-A51 PolarHBondContact O-N 3.24Å; V48-A51 PolarHBondContact O-N 3.12Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 3.04Å; A51-A54 PolarHBondContact O-N 2.99Å; A51-L55 PolarHBondContact O-N 2.81Å
52	V	98.9	Very high	98.8	Very high	53 Å²	53	37 Å²	37	32%	0.321	23%	0.233	S	C	.	.	H	α-helix	trans	-72.6	-39.1	179.3	174.7	0	0	0	0	111.5	V48 E49 A54 L55 E56 I102	V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.39Å; V48-V52 PolarHBondContact O-N 2.86Å; E49-V52 PolarHBondContact O-N 3.44Å; V52-A54 PolarHBondContact O-N 2.94Å; V52-L55 CarbonylContact O-C 3.57Å; V52-L55 WeakPolarHBondContact O-CA 3.44Å; V52-L55 WeakPolarHBondContact O-CB 3.35Å; V52-L55 PolarHBondContact O-N 2.95Å; V52-E56 HydrophobicContact CG1-CG 4.18Å; V52-E56 PolarHBondContact O-N 2.99Å; V52-I102 HydrophobicContact CB-CB 4.43Å; V52-I102 HydrophobicContact CB-CG1 4.14Å; V52-I102 HydrophobicContact CB-CG2 4.26Å; V52-I102 HydrophobicContact CG1-CB 3.82Å; V52-I102 HydrophobicContact CG1-CD1 4.41Å; V52-I102 HydrophobicContact CG1-CG1 3.91Å; V52-I102 HydrophobicContact CG1-CG2 3.93Å
53	V	98.9	Very high	98.8	Very high	27 Å²	27	37.2 Å²	37.2	16%	0.164	23%	0.231	C	C	.	.	H	α-helix	trans	-54.7	-43.6	172.6	167.7	0	0	0	0	110.7	E49 L55 E56 D57 I102 K103	E49-V53 HydrophobicContact CG-CG2 4.26Å; E49-V53 WeakPolarHBondContact O-CB 3.41Å; E49-V53 VanDerWaalsContact O-CG2 3.28Å; E49-V53 WeakPolarHBondContact O-CG2 3.43Å; E49-V53 PolarHBondContact O-N 2.78Å; V53-L55 PolarHBondContact O-N 3.17Å; V53-E56 PolarHBondContact O-N 2.97Å; V53-D57 WeakPolarHBondContact O-CB 3.25Å; V53-D57 PolarHBondContact O-N 2.83Å; V53-I102 HydrophobicContact CG2-CG2 3.62Å; V53-K103 HydrophobicContact CG2-CD 3.9Å; V53-K103 HydrophobicContact CG2-CG 3.71Å
54	A	98.9	Very high	98.8	Very high	24 Å²	24	34.9 Å²	34.9	20%	0.198	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-25.5	176.8	0	0	0	0	0	113.7	A30 V33 G50 A51 V52 D58	A30-A54 HydrophobicContact CB-CB 4.31Å; V33-A54 HydrophobicContact CG2-CB 4.4Å; G50-A54 PolarHBondContact O-N 2.8Å; A51-A54 PolarHBondContact O-N 2.99Å; V52-A54 PolarHBondContact O-N 2.94Å; A54-D58 WeakPolarHBondContact O-CB 3.37Å
55	L	98.9	Very high	98.7	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-86.4	-35.4	174.5	-61.6	178.6	0	0	0	112.4	M27 A30 A51 V52 V53 D57 D58 F61	M27-L55 HydrophobicContact CE-CD1 3.69Å; M27-L55 HydrophobicContact CE-CD2 3.27Å; M27-L55 HydrophobicContact CE-CG 4.13Å; A30-L55 HydrophobicContact CB-CD1 4.2Å; A30-L55 HydrophobicContact CB-CD2 3.58Å; A30-L55 HydrophobicContact CB-CG 3.69Å; A51-L55 PolarHBondContact O-N 2.81Å; V52-L55 CarbonylContact O-C 3.57Å; V52-L55 WeakPolarHBondContact O-CA 3.44Å; V52-L55 WeakPolarHBondContact O-CB 3.35Å; V52-L55 PolarHBondContact O-N 2.95Å; V53-L55 PolarHBondContact O-N 3.17Å; L55-D57 VanDerWaalsContact C-N 3.28Å; L55-D57 PolarHBondContact O-N 2.71Å; L55-D58 PolarHBondContact O-N 3.31Å; L55-F61 HydrophobicContact CB-CG 4.46Å; L55-F61 HydrophobicContact CD2-CD1 4.12Å; L55-F61 HydrophobicContact CD2-CD2 4Å; L55-F61 HydrophobicContact CD2-CE1 4Å; L55-F61 HydrophobicContact CD2-CE2 3.87Å; L55-F61 HydrophobicContact CD2-CG 4.12Å; L55-F61 HydrophobicContact CD2-CZ 3.87Å
56	E	98.9	Very high	98.7	Very high	4 Å²	4	33 Å²	33	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-32.8	174.1	-73.6	178	156.2	0	0	112.4	V52 V53 D58 A63 G64 C65 N100 P101 I102	V52-E56 HydrophobicContact CG1-CG 4.18Å; V52-E56 PolarHBondContact O-N 2.99Å; V53-E56 PolarHBondContact O-N 2.97Å; E56-D58 VanDerWaalsContact C-N 3.31Å; E56-A63 HydrophobicContact CG-CB 3.94Å; E56-G64 CarbonylContact O-C 3.55Å; E56-G64 WeakPolarHBondContact O-CA 3.33Å; E56-C65 PolarHBondContact O-N 3.03Å; E56-N100 WeakPolarHBondContact OE2-CA 3.4Å; E56-N100 WeakPolarHBondContact OE2-CB 3.44Å; E56-N100 PolarHBondContact OE2-ND2 2.96Å; E56-N100 VanDerWaalsContact OE2-ND2 3.16Å; E56-P101 VanDerWaalsContact OE1-CD 3.28Å; E56-P101 WeakPolarHBondContact OE1-CD 3.36Å; E56-I102 WeakPolarHBondContact OE1-CB 3.35Å; E56-I102 PolarHBondContact OE1-N 3.43Å; E56-I102 VanDerWaalsContact OE2-CG2 3.29Å; E56-I102 WeakPolarHBondContact OE2-CG2 3.4Å
57	D	98.8	Very high	98.7	Very high	91 Å²	91	30.7 Å²	30.7	49%	0.487	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.8	177.6	-67.6	-14.9	0	0	0	112.7	V53 L55 N100	V53-D57 WeakPolarHBondContact O-CB 3.25Å; V53-D57 PolarHBondContact O-N 2.83Å; L55-D57 VanDerWaalsContact C-N 3.28Å; L55-D57 PolarHBondContact O-N 2.71Å; D57-N100 PolarHBondContact OD1-ND2 3.46Å
58	D	98.6	Very high	98.6	Very high	17 Å²	17	33.8 Å²	33.8	9%	0.091	21%	0.205	C	C	.	.			trans	-98.2	110.5	-177.5	-173.2	-24.7	0	0	0	111.4	G26 R29 A54 L55 E56 E60 F61	G26-D58 WeakPolarHBondContact CA-OD2 3.49Å; R29-D58 IonicContact CZ-OD2 2.66Å; R29-D58 IonicContact NE-OD2 3.93Å; R29-D58 IonicContact NH2-OD2 4Å; R29-D58 PolarHBondContact NH2-OD2 2.94Å; A54-D58 WeakPolarHBondContact O-CB 3.37Å; L55-D58 PolarHBondContact O-N 3.31Å; E56-D58 VanDerWaalsContact C-N 3.31Å; D58-E60 PolarHBondContact O-N 3.13Å; D58-E60 VanDerWaalsContact OD1-CB 3.3Å; D58-E60 WeakPolarHBondContact OD1-CB 3.36Å; D58-E60 PolarHBondContact OD1-N 3.12Å; D58-F61 HydrophobicContact CB-CD2 3.75Å; D58-F61 HydrophobicContact CB-CE2 4.17Å; D58-F61 PolarHBondContact O-N 3.32Å; D58-F61 WeakPolarHBondContact OD2-CE2 3.29Å
59	P	98.2	Very high	98.6	Very high	71 Å²	71	31.8 Å²	31.8	46%	0.461	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-4.6	-173.8	28.8	-36.9	0	0	0	114.6	F61 C65 T141	P59-F61 VanDerWaalsContact C-N 3.31Å; P59-C65 WeakPolarHBondContact CA-O 3.39Å; P59-T141 HydrophobicContact CB-CG2 4.13Å
60	E	98.2	Very high	98.6	Very high	23 Å²	23	31.7 Å²	31.7	11%	0.107	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.7	174.2	-163.3	58.7	-119.7	0	0	113	R19 R22 V23 D58 R143	R19-E60 IonicContact CZ-OE1 2.79Å; R19-E60 IonicContact NE-OE1 3.19Å; R19-E60 PolarHBondContact NE-OE1 3.33Å; R19-E60 PolarHBondContact NH2-O 2.98Å; R19-E60 IonicContact NH2-OE1 2.78Å; R19-E60 PolarHBondContact NH2-OE1 2.94Å; R22-E60 HydrophobicContact CB-CG 3.98Å; R22-E60 IonicContact CZ-OE2 2.76Å; R22-E60 IonicContact NE-OE2 3.64Å; R22-E60 PolarHBondContact NE-OE2 3.23Å; R22-E60 IonicContact NH2-OE2 2.72Å; V23-E60 HydrophobicContact CG2-CG 3.75Å; D58-E60 PolarHBondContact O-N 3.13Å; D58-E60 VanDerWaalsContact OD1-CB 3.3Å; D58-E60 WeakPolarHBondContact OD1-CB 3.36Å; D58-E60 PolarHBondContact OD1-N 3.12Å; E60-R143 IonicContact OE1-CZ 2.75Å; E60-R143 IonicContact OE1-NH1 3.81Å; E60-R143 PolarHBondContact OE1-NH1 2.97Å; E60-R143 IonicContact OE2-NH1 2.77Å
61	F	98.6	Very high	98.5	Very high	19 Å²	19	35.8 Å²	35.8	8%	0.083	21%	0.214	C	C	.	.	S	Bend	trans	-105.1	160.6	-178.4	-62.8	-89.2	0	0	0	112.5	V23 M27 L55 D58 P59 A63 G66	V23-F61 HydrophobicContact CG1-CE1 4.39Å; V23-F61 HydrophobicContact CG1-CZ 4.37Å; M27-F61 HydrophobicContact CE-CD1 4.03Å; M27-F61 HydrophobicContact CE-CE1 3.19Å; M27-F61 HydrophobicContact CE-CZ 3.55Å; M27-F61 HydrophobicContact CG-CE1 4.3Å; M27-F61 HydrophobicContact CG-CZ 4.2Å; M27-F61 HydrophobicContact SD-CE1 4Å; M27-F61 HydrophobicContact SD-CZ 4.44Å; L55-F61 HydrophobicContact CB-CG 4.46Å; L55-F61 HydrophobicContact CD2-CD1 4.12Å; L55-F61 HydrophobicContact CD2-CD2 4Å; L55-F61 HydrophobicContact CD2-CE1 4Å; L55-F61 HydrophobicContact CD2-CE2 3.87Å; L55-F61 HydrophobicContact CD2-CG 4.12Å; L55-F61 HydrophobicContact CD2-CZ 3.87Å; D58-F61 HydrophobicContact CB-CD2 3.75Å; D58-F61 HydrophobicContact CB-CE2 4.17Å; D58-F61 PolarHBondContact O-N 3.32Å; D58-F61 WeakPolarHBondContact OD2-CE2 3.29Å; P59-F61 VanDerWaalsContact C-N 3.31Å; F61-A63 PolarHBondContact O-N 3.19Å; F61-G66 CarbonylContact O-C 3.55Å; F61-G66 VanDerWaalsContact O-C 3.24Å; F61-G66 VanDerWaalsContact O-O 3.06Å
62	N	98.6	Very high	98.5	Very high	104 Å²	104	41.3 Å²	41.3	56%	0.556	24%	0.243	S	C	*	.	S	Bend	trans	-98.7	63.9	-179.6	-177.7	42.8	0	0	0	110.5	S67 V68	N62-S67 WeakPolarHBondContact OD1-CA 3.37Å; N62-V68 WeakPolarHBondContact OD1-CG1 3.25Å; N62-V68 WeakPolarHBondContact OD1-CG2 3.42Å; N62-V68 PolarHBondContact OD1-N 3.34Å
63	A	98.5	Very high	98.4	Very high	33 Å²	33	40 Å²	40	27%	0.273	24%	0.241	S	C	.	.	S	Bend	trans	-160.7	149.4	174.1	0	0	0	0	0	107.6	E56 F61 C65 S67	E56-A63 HydrophobicContact CG-CB 3.94Å; F61-A63 PolarHBondContact O-N 3.19Å; A63-C65 PolarHBondContact O-N 2.93Å; A63-C65 VanDerWaalsContact O-O 3.12Å; A63-S67 VanDerWaalsContact C-OG 3.25Å; A63-S67 WeakPolarHBondContact CA-OG 3.39Å
64	G	98.6	Very high	98.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.01	25%	0.254	C	S	.	.	S	Bend	trans	54	-129	-178.2	0	0	0	0	0	112.2	E56 G66 S67 M77	E56-G64 CarbonylContact O-C 3.55Å; E56-G64 WeakPolarHBondContact O-CA 3.33Å; G64-G66 PolarHBondContact O-N 3.49Å; G64-S67 PolarHBondContact N-OG 3.17Å; G64-S67 WeakPolarHBondContact O-CB 3.46Å; G64-S67 PolarHBondContact O-N 2.85Å; G64-S67 PolarHBondContact O-OG 3.43Å; G64-M77 VanDerWaalsContact CA-SD 3.51Å
65	C	98.3	Very high	98.4	Very high	34 Å²	34	42.5 Å²	42.5	23%	0.23	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	126.7	170.2	-177.6	0	0	0	0	110.7	E56 P59 A63 K138 L139	E56-C65 PolarHBondContact O-N 3.03Å; P59-C65 WeakPolarHBondContact CA-O 3.39Å; A63-C65 PolarHBondContact O-N 2.93Å; A63-C65 VanDerWaalsContact O-O 3.12Å; C65-K138 PolarHBondContact SG-O 2.96Å; C65-L139 HydrophobicContact CB-CD2 4.36Å
66	G	97.7	Very high	98.4	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.031	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	2.2	-173.7	0	0	0	0	0	114.2	F61 G64 L139 N144	F61-G66 CarbonylContact O-C 3.55Å; F61-G66 VanDerWaalsContact O-C 3.24Å; F61-G66 VanDerWaalsContact O-O 3.06Å; G64-G66 PolarHBondContact O-N 3.49Å; G66-L139 PolarHBondContact N-O 3.05Å; G66-N144 PolarHBondContact O-ND2 2.66Å
67	S	98.7	Very high	98.4	Very high	5 Å²	5	46 Å²	46	4%	0.035	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-54.6	142.4	166.2	-64.1	0	0	0	0	111.9	N62 A63 G64 N144	N62-S67 WeakPolarHBondContact OD1-CA 3.37Å; A63-S67 VanDerWaalsContact C-OG 3.25Å; A63-S67 WeakPolarHBondContact CA-OG 3.39Å; G64-S67 PolarHBondContact N-OG 3.17Å; G64-S67 WeakPolarHBondContact O-CB 3.46Å; G64-S67 PolarHBondContact O-N 2.85Å; G64-S67 PolarHBondContact O-OG 3.43Å; S67-N144 PolarHBondContact O-ND2 2.99Å
68	V	98.5	Very high	98.4	Very high	66 Å²	66	47.4 Å²	47.4	40%	0.4	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-67.8	159.1	174.4	-66.8	0	0	0	0	110.9	N62	N62-V68 WeakPolarHBondContact OD1-CG1 3.25Å; N62-V68 WeakPolarHBondContact OD1-CG2 3.42Å; N62-V68 PolarHBondContact OD1-N 3.34Å
69	L	98.7	Very high	98.4	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.131	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-91.2	142.2	-177.1	-54.3	-178.2	0	0	0	111	E74 V75 V140 N144 K145 L148	L69-E74 CarbonylContact C-O 3.6Å; L69-E74 WeakPolarHBondContact CA-O 3.37Å; L69-V75 HydrophobicContact CD2-CG2 3.75Å; L69-V140 HydrophobicContact CD1-CG1 4.48Å; L69-V140 HydrophobicContact CD2-CG1 4.13Å; L69-V140 HydrophobicContact CD2-CG2 3.94Å; L69-N144 HydrophobicContact CG-CB 4.2Å; L69-K145 HydrophobicContact CD1-CG 4.13Å; L69-L148 HydrophobicContact CB-CB 4.3Å; L69-L148 HydrophobicContact CB-CD2 3.79Å; L69-L148 HydrophobicContact CD1-CB 4.27Å; L69-L148 HydrophobicContact CD1-CD2 4.04Å
70	N	98.4	Very high	98.4	Very high	31 Å²	31	48.3 Å²	48.3	17%	0.166	28%	0.281	C	S	.	.			trans	-70	-178.1	167.4	75.3	10.2	0	0	0	111.1	N72 G73 E74 E76 L148	N70-N72 PolarHBondContact O-N 3.32Å; N70-N72 VanDerWaalsContact O-N 3.15Å; N70-N72 WeakPolarHBondContact OD1-CA 3.36Å; N70-N72 WeakPolarHBondContact OD1-CB 3.37Å; N70-N72 PolarHBondContact OD1-N 2.83Å; N70-G73 PolarHBondContact O-N 3.39Å; N70-G73 PolarHBondContact OD1-N 2.98Å; N70-E74 PolarHBondContact N-O 3.19Å; N70-E74 PolarHBondContact OD1-N 2.74Å; N70-E74 PolarHBondContact OD1-O 3.1Å; N70-E76 WeakPolarHBondContact CB-OE2 3.41Å; N70-E76 PolarHBondContact ND2-OE2 3.45Å; N70-L148 WeakPolarHBondContact O-CD1 3.48Å; N70-L148 WeakPolarHBondContact O-CD2 3.28Å
71	T	97.5	Very high	98.5	Very high	101 Å²	101	47.8 Å²	47.8	62%	0.62	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.9	-178.3	-159.7	0	0	0	0	113.6	K152	T71-K152 WeakPolarHBondContact O-CE 3.4Å; T71-K152 PolarHBondContact O-NZ 2.91Å
72	N	97.3	Very high	98.5	Very high	119 Å²	119	52.2 Å²	52.2	64%	0.636	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.7	179.3	-64.3	-23.7	0	0	0	112.8	N70 E74	N70-N72 PolarHBondContact O-N 3.32Å; N70-N72 VanDerWaalsContact O-N 3.15Å; N70-N72 WeakPolarHBondContact OD1-CA 3.36Å; N70-N72 WeakPolarHBondContact OD1-CB 3.37Å; N70-N72 PolarHBondContact OD1-N 2.83Å; N72-E74 HydrophobicContact CB-CG 4.43Å
73	G	97.8	Very high	98.5	Very high	27 Å²	27	49.5 Å²	49.5	28%	0.278	29%	0.287	S	S	.	.	S	Bend	trans	89.9	13.2	-177.1	0	0	0	0	0	114.1	N70	N70-G73 PolarHBondContact O-N 3.39Å; N70-G73 PolarHBondContact OD1-N 2.98Å
74	E	98.6	Very high	98.5	Very high	93 Å²	93	51.2 Å²	51.2	44%	0.435	31%	0.307	S	S	.	.			trans	-101.8	155.3	-178.9	-57.2	173	169.1	0	0	111	L69 N70 N72 Q96	L69-E74 CarbonylContact C-O 3.6Å; L69-E74 WeakPolarHBondContact CA-O 3.37Å; N70-E74 PolarHBondContact N-O 3.19Å; N70-E74 PolarHBondContact OD1-N 2.74Å; N70-E74 PolarHBondContact OD1-O 3.1Å; N72-E74 HydrophobicContact CB-CG 4.43Å; E74-Q96 PolarHBondContact OE2-NE2 3.11Å
75	V	98.8	Very high	98.5	Very high	10 Å²	10	59.7 Å²	59.7	6%	0.061	34%	0.344	C	S	.	.			trans	-90.3	120.8	171.7	168.3	0	0	0	0	108.7	L69 M77 Q96 L139 V140	L69-V75 HydrophobicContact CD2-CG2 3.75Å; V75-M77 HydrophobicContact CG1-CE 4.14Å; V75-M77 HydrophobicContact CG1-CG 3.61Å; V75-M77 HydrophobicContact CG1-SD 3.81Å; V75-Q96 WeakPolarHBondContact O-CG 3.28Å; V75-L139 HydrophobicContact CB-CB 4.23Å; V75-L139 HydrophobicContact CB-CD1 4.43Å; V75-L139 HydrophobicContact CG1-CB 4.16Å; V75-L139 HydrophobicContact CG1-CD1 4.02Å; V75-L139 HydrophobicContact CG2-CB 4.06Å; V75-V140 HydrophobicContact CG2-CG2 4.02Å
76	E	98.9	Very high	98.5	Very high	87 Å²	87	62.9 Å²	62.9	41%	0.407	36%	0.359	S	S	.	.			trans	-121.7	130.6	168.6	-72	175	116.2	0	0	107.8	N70 Q96	N70-E76 WeakPolarHBondContact CB-OE2 3.41Å; N70-E76 PolarHBondContact ND2-OE2 3.45Å; E76-Q96 HydrophobicContact CG-CG 4.01Å
77	M	98.9	Very high	98.5	Very high	7 Å²	7	68.5 Å²	68.5	3%	0.034	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.1	-171.3	-60.8	168.8	-68.4	0	0	111.6	G64 V75 A94 V95 I98 P101 L139	G64-M77 VanDerWaalsContact CA-SD 3.51Å; V75-M77 HydrophobicContact CG1-CE 4.14Å; V75-M77 HydrophobicContact CG1-CG 3.61Å; V75-M77 HydrophobicContact CG1-SD 3.81Å; M77-A94 PolarHBondContact O-N 2.85Å; M77-A94 VanDerWaalsContact O-N 3.12Å; M77-V95 HydrophobicContact CB-CG2 4.09Å; M77-V95 PolarHBondContact N-O 3.24Å; M77-V95 WeakPolarHBondContact O-CG2 3.04Å; M77-V95 PolarHBondContact O-N 2.72Å; M77-I98 HydrophobicContact CE-CG1 4.27Å; M77-I98 WeakPolarHBondContact CE-O 3.44Å; M77-P101 HydrophobicContact CB-CB 4.37Å; M77-P101 HydrophobicContact CB-CG 3.61Å; M77-P101 HydrophobicContact CE-CG 3.8Å; M77-P101 HydrophobicContact CG-CG 4.19Å; M77-P101 HydrophobicContact SD-CG 3.6Å; M77-L139 HydrophobicContact CE-CD1 3.7Å; M77-L139 HydrophobicContact SD-CD1 4.33Å
78	D	98.9	Very high	98.5	Very high	120 Å²	120	70.1 Å²	70.1	64%	0.642	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	145.1	174.8	-54.2	-33.5	0	0	0	109.1	V92 S93 A94	D78-V92 WeakPolarHBondContact CA-O 3.25Å; D78-S93 WeakPolarHBondContact OD1-CA 3.42Å; D78-S93 VanDerWaalsContact OD1-CB 3.27Å; D78-S93 WeakPolarHBondContact OD1-CB 3.47Å; D78-A94 PolarHBondContact OD1-N 3.27Å
79	A	98.9	Very high	98.6	Very high	19 Å²	19	68.3 Å²	68.3	16%	0.157	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.5	173.3	0	0	0	0	0	111.6	A91 V92 P101 I102 A105	A79-A91 CarbonylContact O-C 3.53Å; A79-A91 VanDerWaalsContact O-CA 3.25Å; A79-A91 WeakPolarHBondContact O-CA 3.33Å; A79-V92 HydrophobicContact CB-CG2 4.28Å; A79-V92 PolarHBondContact N-O 3.33Å; A79-V92 PolarHBondContact O-N 2.87Å; A79-P101 HydrophobicContact CB-CB 3.67Å; A79-I102 HydrophobicContact CB-CB 4.43Å; A79-I102 HydrophobicContact CB-CD1 4.2Å; A79-A105 HydrophobicContact CB-CB 4.37Å
80	S	98.9	Very high	98.6	Very high	87 Å²	87	67.1 Å²	67.1	61%	0.608	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.6	173.4	63.8	0	0	0	0	111.7	G90 I102	S80-G90 CarbonylContact C-O 3.35Å; S80-G90 VanDerWaalsContact CA-O 3.23Å; S80-G90 WeakPolarHBondContact CA-O 3.49Å; S80-I102 VanDerWaalsContact O-CD1 3.25Å; S80-I102 WeakPolarHBondContact O-CD1 3.36Å
81	I	98.9	Very high	98.6	Very high	12 Å²	12	66.3 Å²	66.3	6%	0.062	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150	177.2	-164.6	163.9	0	0	0	109.6	V45 V48 E49 A89 G90 I102 A105 R106 M109	V45-I81 HydrophobicContact CG1-CD1 3.75Å; V45-I81 HydrophobicContact CG1-CG1 4.36Å; V48-I81 HydrophobicContact CG2-CD1 4Å; V48-I81 HydrophobicContact CG2-CG1 4.26Å; E49-I81 HydrophobicContact CB-CD1 4.06Å; I81-A89 WeakPolarHBondContact O-CA 3.33Å; I81-G90 PolarHBondContact N-O 3.29Å; I81-G90 PolarHBondContact O-N 3.49Å; I81-I102 HydrophobicContact CB-CD1 4.12Å; I81-A105 HydrophobicContact CG2-CB 4.38Å; I81-R106 HydrophobicContact CG2-CB 4.19Å; I81-M109 HydrophobicContact CG2-SD 4.2Å
82	M	98.9	Very high	98.7	Very high	112 Å²	112	61.6 Å²	61.6	55%	0.552	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.9	135.3	-177.2	-173.8	177.1	-170.3	0	0	111	L87 S88 A89	M82-L87 HydrophobicContact CE-CB 3.62Å; M82-L87 HydrophobicContact CE-CD2 3.68Å; M82-L87 HydrophobicContact CE-CG 4.19Å; M82-S88 CarbonylContact C-O 3.57Å; M82-S88 WeakPolarHBondContact CA-O 3.44Å; M82-A89 HydrophobicContact CB-CB 4.3Å; M82-A89 HydrophobicContact CG-CB 4.12Å
83	D	98.9	Very high	98.7	Very high	47 Å²	47	57 Å²	57	25%	0.251	33%	0.33	S	S	.	.			trans	-93.2	123.7	169.8	-168.8	-14.6	0	0	0	110.3	V45 K85 L87 S88	V45-D83 HydrophobicContact CG2-CB 3.76Å; D83-K85 PolarHBondContact O-N 3.24Å; D83-K85 WeakPolarHBondContact OD1-CB 3.46Å; D83-K85 PolarHBondContact OD1-N 2.93Å; D83-L87 WeakPolarHBondContact O-CA 3.42Å; D83-L87 PolarHBondContact O-N 3.43Å; D83-S88 WeakPolarHBondContact CB-OG 3.28Å; D83-S88 PolarHBondContact N-O 3.14Å
84	G	98.6	Very high	98.8	Very high	69 Å²	69	56.8 Å²	56.8	71%	0.711	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.4	178.4	0	0	0	0	0	114.6
85	K	98.4	Very high	98.8	Very high	179 Å²	179	52.6 Å²	52.6	78%	0.778	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-46.5	180	177.8	-179.5	170.9	-178.9	0	112.6	D83	D83-K85 PolarHBondContact O-N 3.24Å; D83-K85 WeakPolarHBondContact OD1-CB 3.46Å; D83-K85 PolarHBondContact OD1-N 2.93Å
86	D	98.3	Very high	98.8	Very high	102 Å²	102	55.5 Å²	55.5	55%	0.545	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	6.2	-173.8	60.5	10.5	0	0	0	113.5	S88	D86-S88 PolarHBondContact O-N 3.33Å; D86-S88 WeakPolarHBondContact OD1-CB 3.33Å; D86-S88 PolarHBondContact OD1-N 2.92Å; D86-S88 PolarHBondContact OD1-OG 3.42Å
87	L	98.6	Very high	98.8	Very high	120 Å²	120	53.1 Å²	53.1	63%	0.628	31%	0.312	S	S	*	.			trans	65	17.9	-178.3	-44.8	179.4	0	0	0	113.7	M82 D83 A89	M82-L87 HydrophobicContact CE-CB 3.62Å; M82-L87 HydrophobicContact CE-CD2 3.68Å; M82-L87 HydrophobicContact CE-CG 4.19Å; D83-L87 WeakPolarHBondContact O-CA 3.42Å; D83-L87 PolarHBondContact O-N 3.43Å; L87-A89 PolarHBondContact O-N 3.12Å
88	S	98.7	Very high	98.8	Very high	40 Å²	40	53.2 Å²	53.2	28%	0.28	31%	0.313	S	S	.	.			trans	-57.4	136.7	167.7	54.4	0	0	0	0	109.9	M82 D83 D86	M82-S88 CarbonylContact C-O 3.57Å; M82-S88 WeakPolarHBondContact CA-O 3.44Å; D83-S88 WeakPolarHBondContact CB-OG 3.28Å; D83-S88 PolarHBondContact N-O 3.14Å; D86-S88 PolarHBondContact O-N 3.33Å; D86-S88 WeakPolarHBondContact OD1-CB 3.33Å; D86-S88 PolarHBondContact OD1-N 2.92Å; D86-S88 PolarHBondContact OD1-OG 3.42Å
89	A	98.9	Very high	98.8	Very high	27 Å²	27	49.2 Å²	49.2	22%	0.223	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	152.5	-173.2	0	0	0	0	0	111.2	I81 M82 L87	I81-A89 WeakPolarHBondContact O-CA 3.33Å; M82-A89 HydrophobicContact CB-CB 4.3Å; M82-A89 HydrophobicContact CG-CB 4.12Å; L87-A89 PolarHBondContact O-N 3.12Å
90	G	98.9	Very high	98.8	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	143.9	173.8	0	0	0	0	0	110.8	S80 I81 A105 C115	S80-G90 CarbonylContact C-O 3.35Å; S80-G90 VanDerWaalsContact CA-O 3.23Å; S80-G90 WeakPolarHBondContact CA-O 3.49Å; I81-G90 PolarHBondContact N-O 3.29Å; I81-G90 PolarHBondContact O-N 3.49Å; G90-A105 CarbonylContact C-O 3.55Å; G90-A105 WeakPolarHBondContact CA-O 3.06Å; G90-C115 CarbonylContact C-O 3.59Å; G90-C115 VanDerWaalsContact CA-O 3.29Å; G90-C115 WeakPolarHBondContact CA-O 3.3Å
91	A	98.9	Very high	98.8	Very high	14 Å²	14	45.6 Å²	45.6	12%	0.116	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153	-176.8	0	0	0	0	0	111.3	A79 C115 F116 L117	A79-A91 CarbonylContact O-C 3.53Å; A79-A91 VanDerWaalsContact O-CA 3.25Å; A79-A91 WeakPolarHBondContact O-CA 3.33Å; A91-C115 PolarHBondContact N-O 3.21Å; A91-F116 HydrophobicContact CB-CB 4.26Å; A91-F116 HydrophobicContact CB-CD1 4.36Å; A91-F116 HydrophobicContact CB-CD2 3.54Å; A91-F116 HydrophobicContact CB-CE2 3.9Å; A91-F116 HydrophobicContact CB-CG 3.8Å; A91-F116 HydrophobicContact CB-CZ 4.45Å; A91-F116 WeakPolarHBondContact O-CA 3.49Å; A91-F116 WeakPolarHBondContact O-CD2 3.23Å; A91-L117 PolarHBondContact O-N 3.44Å; A91-L117 VanDerWaalsContact O-N 3.12Å
92	V	98.9	Very high	98.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.8	171.6	-64.2	0	0	0	0	111.2	D78 A79 V95 P101 L104 A105 V108 L117 A122	D78-V92 WeakPolarHBondContact CA-O 3.25Å; A79-V92 HydrophobicContact CB-CG2 4.28Å; A79-V92 PolarHBondContact N-O 3.33Å; A79-V92 PolarHBondContact O-N 2.87Å; V92-V95 HydrophobicContact CB-CG1 3.71Å; V92-V95 HydrophobicContact CG1-CG1 4.45Å; V92-V95 HydrophobicContact CG2-CG1 4.01Å; V92-V95 HydrophobicContact CG2-CG2 4.04Å; V92-P101 HydrophobicContact CG2-CB 4.3Å; V92-L104 HydrophobicContact CG1-CB 4.4Å; V92-L104 HydrophobicContact CG1-CD2 3.9Å; V92-L104 HydrophobicContact CG1-CG 3.85Å; V92-A105 HydrophobicContact CG2-CB 4.43Å; V92-V108 HydrophobicContact CG1-CG2 3.94Å; V92-L117 VanDerWaalsContact CA-O 3.25Å; V92-L117 WeakPolarHBondContact CA-O 3.22Å; V92-A122 HydrophobicContact CG1-CB 4.3Å
93	S	98.9	Very high	98.8	Very high	22 Å²	22	45 Å²	45	15%	0.154	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.5	177.5	59.1	0	0	0	0	113.1	D78 V95 F116 L117 T118 D119	D78-S93 WeakPolarHBondContact OD1-CA 3.42Å; D78-S93 VanDerWaalsContact OD1-CB 3.27Å; D78-S93 WeakPolarHBondContact OD1-CB 3.47Å; S93-V95 PolarHBondContact O-N 3.23Å; S93-F116 WeakPolarHBondContact OG-CE2 3.46Å; S93-F116 WeakPolarHBondContact OG-CZ 3.35Å; S93-L117 PolarHBondContact N-O 3.05Å; S93-T118 CarbonylContact O-C 3.58Å; S93-T118 WeakPolarHBondContact O-CA 3.4Å; S93-T118 PolarHBondContact O-OG1 2.97Å; S93-T118 VanDerWaalsContact O-OG1 3.09Å; S93-T118 VanDerWaalsContact OG-CB 3.28Å; S93-T118 WeakPolarHBondContact OG-CB 3.29Å; S93-T118 PolarHBondContact OG-OG1 3.33Å; S93-D119 PolarHBondContact O-N 2.8Å
94	A	98.8	Very high	98.8	Very high	24 Å²	24	42.8 Å²	42.8	20%	0.198	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	51.4	36.5	-174.6	0	0	0	0	0	112.8	M77 D78 D119	M77-A94 PolarHBondContact O-N 2.85Å; M77-A94 VanDerWaalsContact O-N 3.12Å; D78-A94 PolarHBondContact OD1-N 3.27Å; A94-D119 HydrophobicContact CB-CB 4.35Å
95	V	98.8	Very high	98.8	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	141.9	177.1	-60.3	0	0	0	0	110.6	M77 V92 S93 I98 P101 L104 A122	M77-V95 HydrophobicContact CB-CG2 4.09Å; M77-V95 PolarHBondContact N-O 3.24Å; M77-V95 WeakPolarHBondContact O-CG2 3.04Å; M77-V95 PolarHBondContact O-N 2.72Å; V92-V95 HydrophobicContact CB-CG1 3.71Å; V92-V95 HydrophobicContact CG1-CG1 4.45Å; V92-V95 HydrophobicContact CG2-CG1 4.01Å; V92-V95 HydrophobicContact CG2-CG2 4.04Å; S93-V95 PolarHBondContact O-N 3.23Å; V95-I98 HydrophobicContact CB-CD1 4.17Å; V95-I98 HydrophobicContact CG2-CD1 3.85Å; V95-I98 HydrophobicContact CG2-CG1 4.29Å; V95-P101 HydrophobicContact CG2-CB 3.99Å; V95-P101 HydrophobicContact CG2-CG 4.04Å; V95-L104 HydrophobicContact CG1-CD2 4.27Å; V95-A122 HydrophobicContact CG1-CB 3.53Å
96	Q	98.8	Very high	98.8	Very high	71 Å²	71	32.7 Å²	32.7	33%	0.332	19%	0.186	S	C	.	.			trans	-126.2	165.1	-178.2	-57.3	-170.6	-45.6	0	0	110.2	E74 V75 E76 I98	E74-Q96 PolarHBondContact OE2-NE2 3.11Å; V75-Q96 WeakPolarHBondContact O-CG 3.28Å; E76-Q96 HydrophobicContact CG-CG 4.01Å; Q96-I98 PolarHBondContact O-N 3.46Å
97	C	98.5	Very high	98.8	Very high	36 Å²	36	29.9 Å²	29.9	24%	0.243	17%	0.17	C	C	.	.	S	Bend	trans	55.6	25.5	168.7	-60.5	0	0	0	0	116.3	E133 I134	C97-E133 HydrophobicContact CB-CG 3.88Å; C97-E133 CarbonylContact O-C 3.24Å; C97-E133 WeakPolarHBondContact O-CA 3.35Å; C97-I134 WeakPolarHBondContact CA-O 3.46Å; C97-I134 VanDerWaalsContact CB-O 3.29Å; C97-I134 WeakPolarHBondContact CB-O 3.36Å; C97-I134 WeakPolarHBondContact O-CG1 3.2Å; C97-I134 PolarHBondContact O-N 3.18Å
98	I	98.7	Very high	98.8	Very high	10 Å²	10	24.1 Å²	24.1	5%	0.051	14%	0.141	C	C	.	.			trans	-126.6	147.7	171.7	62.7	173.6	0	0	0	109.9	M77 V95 Q96 P101 L104 V131	M77-I98 HydrophobicContact CE-CG1 4.27Å; M77-I98 WeakPolarHBondContact CE-O 3.44Å; V95-I98 HydrophobicContact CB-CD1 4.17Å; V95-I98 HydrophobicContact CG2-CD1 3.85Å; V95-I98 HydrophobicContact CG2-CG1 4.29Å; Q96-I98 PolarHBondContact O-N 3.46Å; I98-P101 HydrophobicContact CG1-CG 4.49Å; I98-L104 HydrophobicContact CD1-CB 4.09Å; I98-L104 HydrophobicContact CD1-CD2 3.64Å; I98-V131 HydrophobicContact CB-CG1 4.22Å; I98-V131 HydrophobicContact CG2-CG1 3.84Å
99	A	98.6	Very high	98.8	Very high	35 Å²	35	23.4 Å²	23.4	29%	0.289	13%	0.133	S	C	.	.	S	Bend	trans	-73.3	-42.3	-178	0	0	0	0	0	112.6	P101 I134	A99-P101 WeakPolarHBondContact O-CD 3.46Å; A99-I134 HydrophobicContact CB-CD1 4.07Å
100	N	98.9	Very high	98.8	Very high	30 Å²	30	26.6 Å²	26.6	16%	0.16	14%	0.143	C	C	.	.			trans	-127.6	86.2	-168.3	-55.3	114.9	0	0	0	112.8	E56 D57 I102 K103 L104	E56-N100 WeakPolarHBondContact OE2-CA 3.4Å; E56-N100 WeakPolarHBondContact OE2-CB 3.44Å; E56-N100 PolarHBondContact OE2-ND2 2.96Å; E56-N100 VanDerWaalsContact OE2-ND2 3.16Å; D57-N100 PolarHBondContact OD1-ND2 3.46Å; N100-I102 PolarHBondContact O-N 3.26Å; N100-K103 HydrophobicContact CB-CB 4.21Å; N100-K103 HydrophobicContact CB-CD 3.76Å; N100-K103 HydrophobicContact CB-CG 3.85Å; N100-K103 PolarHBondContact O-N 3.45Å; N100-L104 PolarHBondContact O-N 2.75Å
101	P	98.9	Very high	98.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-52.6	-36.3	173.4	-28.9	35.6	0	0	0	114.5	E56 M77 A79 V92 V95 I98 A99 K103 L104 A105	E56-P101 VanDerWaalsContact OE1-CD 3.28Å; E56-P101 WeakPolarHBondContact OE1-CD 3.36Å; M77-P101 HydrophobicContact CB-CB 4.37Å; M77-P101 HydrophobicContact CB-CG 3.61Å; M77-P101 HydrophobicContact CE-CG 3.8Å; M77-P101 HydrophobicContact CG-CG 4.19Å; M77-P101 HydrophobicContact SD-CG 3.6Å; A79-P101 HydrophobicContact CB-CB 3.67Å; V92-P101 HydrophobicContact CG2-CB 4.3Å; V95-P101 HydrophobicContact CG2-CB 3.99Å; V95-P101 HydrophobicContact CG2-CG 4.04Å; I98-P101 HydrophobicContact CG1-CG 4.49Å; A99-P101 WeakPolarHBondContact O-CD 3.46Å; P101-K103 VanDerWaalsContact C-N 3.28Å; P101-K103 PolarHBondContact O-N 2.87Å; P101-L104 PolarHBondContact O-N 2.77Å; P101-L104 VanDerWaalsContact O-N 3.12Å; P101-A105 PolarHBondContact O-N 3.18Å
102	I	98.9	Very high	98.8	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.046	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-34.9	-179.4	-163.1	62.5	0	0	0	112.7	E49 V52 V53 E56 A79 S80 I81 N100 L104 A105 R106	E49-I102 HydrophobicContact CG-CG2 4.31Å; V52-I102 HydrophobicContact CB-CB 4.43Å; V52-I102 HydrophobicContact CB-CG1 4.14Å; V52-I102 HydrophobicContact CB-CG2 4.26Å; V52-I102 HydrophobicContact CG1-CB 3.82Å; V52-I102 HydrophobicContact CG1-CD1 4.41Å; V52-I102 HydrophobicContact CG1-CG1 3.91Å; V52-I102 HydrophobicContact CG1-CG2 3.93Å; V53-I102 HydrophobicContact CG2-CG2 3.62Å; E56-I102 WeakPolarHBondContact OE1-CB 3.35Å; E56-I102 PolarHBondContact OE1-N 3.43Å; E56-I102 VanDerWaalsContact OE2-CG2 3.29Å; E56-I102 WeakPolarHBondContact OE2-CG2 3.4Å; A79-I102 HydrophobicContact CB-CB 4.43Å; A79-I102 HydrophobicContact CB-CD1 4.2Å; S80-I102 VanDerWaalsContact O-CD1 3.25Å; S80-I102 WeakPolarHBondContact O-CD1 3.36Å; I81-I102 HydrophobicContact CB-CD1 4.12Å; N100-I102 PolarHBondContact O-N 3.26Å; I102-L104 VanDerWaalsContact C-N 3.35Å; I102-A105 WeakPolarHBondContact O-CB 3.14Å; I102-A105 PolarHBondContact O-N 3.07Å; I102-R106 PolarHBondContact O-N 3.27Å
103	K	98.9	Very high	98.8	Very high	101 Å²	101	39.2 Å²	39.2	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-69.3	-36.7	176.5	-63	-176.2	67.5	176.7	0	111.1	E49 V53 N100 P101 R106 L107	E49-K103 HydrophobicContact CG-CG 4.4Å; V53-K103 HydrophobicContact CG2-CD 3.9Å; V53-K103 HydrophobicContact CG2-CG 3.71Å; N100-K103 HydrophobicContact CB-CB 4.21Å; N100-K103 HydrophobicContact CB-CD 3.76Å; N100-K103 HydrophobicContact CB-CG 3.85Å; N100-K103 PolarHBondContact O-N 3.45Å; P101-K103 VanDerWaalsContact C-N 3.28Å; P101-K103 PolarHBondContact O-N 2.87Å; K103-R106 PolarHBondContact O-N 2.56Å; K103-L107 WeakPolarHBondContact O-CG 3.21Å; K103-L107 PolarHBondContact O-N 3.01Å
104	L	98.9	Very high	98.8	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-40	174	-172.8	63.5	0	0	0	111.2	V92 V95 I98 N100 P101 I102 R106 L107 V108 A122 F125 A126 V131	V92-L104 HydrophobicContact CG1-CB 4.4Å; V92-L104 HydrophobicContact CG1-CD2 3.9Å; V92-L104 HydrophobicContact CG1-CG 3.85Å; V95-L104 HydrophobicContact CG1-CD2 4.27Å; I98-L104 HydrophobicContact CD1-CB 4.09Å; I98-L104 HydrophobicContact CD1-CD2 3.64Å; N100-L104 PolarHBondContact O-N 2.75Å; P101-L104 PolarHBondContact O-N 2.77Å; P101-L104 VanDerWaalsContact O-N 3.12Å; I102-L104 VanDerWaalsContact C-N 3.35Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-R106 PolarHBondContact O-N 2.62Å; L104-L107 HydrophobicContact CD1-CD1 4.3Å; L104-L107 WeakPolarHBondContact O-CB 3.43Å; L104-L107 PolarHBondContact O-N 3.09Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L104-V108 WeakPolarHBondContact O-CG2 3.45Å; L104-V108 PolarHBondContact O-N 2.98Å; L104-A122 HydrophobicContact CD2-CB 4.43Å; L104-F125 HydrophobicContact CD1-CD1 3.71Å; L104-F125 HydrophobicContact CD1-CE1 3.99Å; L104-A126 HydrophobicContact CD1-CB 3.73Å; L104-A126 HydrophobicContact CD2-CB 3.9Å; L104-A126 HydrophobicContact CG-CB 4.49Å; L104-V131 HydrophobicContact CD1-CG2 4.38Å
105	A	98.9	Very high	98.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-41.6	172.9	0	0	0	0	0	111.8	A79 I81 G90 V92 P101 I102 V108 M109	A79-A105 HydrophobicContact CB-CB 4.37Å; I81-A105 HydrophobicContact CG2-CB 4.38Å; G90-A105 CarbonylContact C-O 3.55Å; G90-A105 WeakPolarHBondContact CA-O 3.06Å; V92-A105 HydrophobicContact CG2-CB 4.43Å; P101-A105 PolarHBondContact O-N 3.18Å; I102-A105 WeakPolarHBondContact O-CB 3.14Å; I102-A105 PolarHBondContact O-N 3.07Å; A105-V108 WeakPolarHBondContact O-CB 3.33Å; A105-V108 PolarHBondContact O-N 3.16Å; A105-M109 PolarHBondContact O-N 2.98Å; A105-M109 VanDerWaalsContact O-N 3.11Å
106	R	98.9	Very high	98.8	Very high	36 Å²	36	51.7 Å²	51.7	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-40.5	173.3	-171.5	177	-178.5	166.1	4.1	112.7	D46 E49 I81 I102 K103 L104 V108 M109 E110	D46-R106 IonicContact OD1-CZ 3.11Å; D46-R106 IonicContact OD1-NH1 3.7Å; D46-R106 PolarHBondContact OD1-NH1 2.86Å; D46-R106 IonicContact OD1-NH2 2.8Å; D46-R106 PolarHBondContact OD1-NH2 3.5Å; E49-R106 WeakPolarHBondContact OE1-CD 3.29Å; E49-R106 WeakPolarHBondContact OE2-CD 3.49Å; E49-R106 IonicContact OE2-CZ 2.62Å; E49-R106 IonicContact OE2-NE 3.13Å; E49-R106 IonicContact OE2-NH1 3.73Å; E49-R106 PolarHBondContact OE2-NH1 3.44Å; I81-R106 HydrophobicContact CG2-CB 4.19Å; I102-R106 PolarHBondContact O-N 3.27Å; K103-R106 PolarHBondContact O-N 2.56Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-R106 PolarHBondContact O-N 2.62Å; R106-V108 VanDerWaalsContact C-N 3.3Å; R106-V108 PolarHBondContact O-N 2.84Å; R106-M109 HydrophobicContact CG-CE 4.27Å; R106-M109 WeakPolarHBondContact O-CB 3.43Å; R106-M109 PolarHBondContact O-N 3.32Å; R106-E110 HydrophobicContact CG-CG 4.49Å; R106-E110 IonicContact CZ-OE1 2.69Å; R106-E110 IonicContact NE-OE1 3.72Å; R106-E110 PolarHBondContact NE-OE1 2.86Å; R106-E110 IonicContact NH2-OE1 3.89Å; R106-E110 PolarHBondContact NH2-OE1 3.3Å; R106-E110 PolarHBondContact O-N 2.85Å
107	L	98.9	Very high	98.8	Very high	42 Å²	42	50 Å²	50	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-38.3	174	-72.1	168.4	0	0	0	111.9	K103 L104 M109 E110 K111 F125 M129 V131	K103-L107 WeakPolarHBondContact O-CG 3.21Å; K103-L107 PolarHBondContact O-N 3.01Å; L104-L107 HydrophobicContact CD1-CD1 4.3Å; L104-L107 WeakPolarHBondContact O-CB 3.43Å; L104-L107 PolarHBondContact O-N 3.09Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L107-M109 VanDerWaalsContact C-N 3.34Å; L107-M109 PolarHBondContact O-N 2.99Å; L107-E110 PolarHBondContact O-N 3.37Å; L107-K111 HydrophobicContact CD2-CG 3.97Å; L107-K111 WeakPolarHBondContact O-CA 3.3Å; L107-K111 WeakPolarHBondContact O-CB 3.49Å; L107-K111 PolarHBondContact O-N 2.84Å; L107-F125 HydrophobicContact CB-CE1 3.78Å; L107-F125 HydrophobicContact CB-CZ 4.05Å; L107-M129 HydrophobicContact CB-CG 4.49Å; L107-M129 HydrophobicContact CD1-CB 3.85Å; L107-M129 HydrophobicContact CD1-CG 4.11Å; L107-M129 HydrophobicContact CD2-SD 4.5Å; L107-V131 HydrophobicContact CD1-CG2 3.88Å
108	V	98.9	Very high	98.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-48.5	173.2	171.7	0	0	0	0	110.3	V92 L104 A105 R106 E110 T112 H114 L117 F125	V92-V108 HydrophobicContact CG1-CG2 3.94Å; L104-V108 WeakPolarHBondContact O-CG2 3.45Å; L104-V108 PolarHBondContact O-N 2.98Å; A105-V108 WeakPolarHBondContact O-CB 3.33Å; A105-V108 PolarHBondContact O-N 3.16Å; R106-V108 VanDerWaalsContact C-N 3.3Å; R106-V108 PolarHBondContact O-N 2.84Å; V108-E110 PolarHBondContact O-N 2.67Å; V108-T112 PolarHBondContact O-N 2.92Å; V108-T112 PolarHBondContact O-OG1 3.26Å; V108-H114 WeakPolarHBondContact CG1-O 3.19Å; V108-L117 HydrophobicContact CG1-CG 4.43Å; V108-L117 HydrophobicContact CG2-CB 4.41Å; V108-L117 HydrophobicContact CG2-CD1 3.84Å; V108-L117 HydrophobicContact CG2-CG 4Å; V108-F125 HydrophobicContact CB-CE1 4.48Å; V108-F125 HydrophobicContact CG2-CD1 3.95Å; V108-F125 HydrophobicContact CG2-CE1 3.72Å
109	M	98.8	Very high	98.8	Very high	25 Å²	25	55.1 Å²	55.1	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-45	179.3	-174.3	177.4	77.8	0	0	113.2	V45 I81 A105 R106 L107	V45-M109 HydrophobicContact CG1-CE 4.02Å; I81-M109 HydrophobicContact CG2-SD 4.2Å; A105-M109 PolarHBondContact O-N 2.98Å; A105-M109 VanDerWaalsContact O-N 3.11Å; R106-M109 HydrophobicContact CG-CE 4.27Å; R106-M109 WeakPolarHBondContact O-CB 3.43Å; R106-M109 PolarHBondContact O-N 3.32Å; L107-M109 VanDerWaalsContact C-N 3.34Å; L107-M109 PolarHBondContact O-N 2.99Å
110	E	98.7	Very high	98.8	Very high	94 Å²	94	60.1 Å²	60.1	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-96.8	-22.3	-169.5	-66.6	-179.8	-174.2	0	0	114.4	R106 L107 V108	R106-E110 HydrophobicContact CG-CG 4.49Å; R106-E110 IonicContact CZ-OE1 2.69Å; R106-E110 IonicContact NE-OE1 3.72Å; R106-E110 PolarHBondContact NE-OE1 2.86Å; R106-E110 IonicContact NH2-OE1 3.89Å; R106-E110 PolarHBondContact NH2-OE1 3.3Å; R106-E110 PolarHBondContact O-N 2.85Å; L107-E110 PolarHBondContact O-N 3.37Å; V108-E110 PolarHBondContact O-N 2.67Å
111	K	98.8	Very high	98.8	Very high	130 Å²	130	60.3 Å²	60.3	57%	0.565	32%	0.315	S	S	*	.	H	α-helix	trans	-117.1	2.9	-170.4	-51.2	-62.7	177.8	-174.8	0	113.7	L107 F125 M129	L107-K111 HydrophobicContact CD2-CG 3.97Å; L107-K111 WeakPolarHBondContact O-CA 3.3Å; L107-K111 WeakPolarHBondContact O-CB 3.49Å; L107-K111 PolarHBondContact O-N 2.84Å; K111-F125 HydrophobicContact CB-CZ 4.17Å; K111-M129 HydrophobicContact CB-SD 4.06Å; K111-M129 HydrophobicContact CG-SD 4.14Å
112	T	98.7	Very high	98.8	Very high	29 Å²	29	60.2 Å²	60.2	18%	0.178	31%	0.314	C	S	.	.	S	Bend	trans	-135.3	158.4	177.5	84.7	0	0	0	0	110.8	V108 H114 F125	V108-T112 PolarHBondContact O-N 2.92Å; V108-T112 PolarHBondContact O-OG1 3.26Å; T112-H114 PolarHBondContact O-N 3.2Å; T112-H114 PolarHBondContact OG1-N 3.5Å; T112-H114 VanDerWaalsContact OG1-N 3.1Å; T112-H114 PolarHBondContact OG1-O 2.97Å; T112-F125 HydrophobicContact CG2-CD2 4.07Å; T112-F125 HydrophobicContact CG2-CE1 4.17Å; T112-F125 HydrophobicContact CG2-CE2 3.34Å; T112-F125 HydrophobicContact CG2-CZ 3.4Å
113	P	98.4	Very high	98.8	Very high	122 Å²	122	62.5 Å²	62.5	79%	0.792	33%	0.334	S	S	*	.	S	Bend	trans	-80.8	8.3	169.5	35	-36	0	0	0	112.9
114	H	98.8	Very high	98.8	Very high	112 Å²	112	64.3 Å²	64.3	52%	0.519	34%	0.344	S	S	.	.			trans	-114.2	155.5	-174.2	-54.6	-53.4	0	0	0	110.7	V108 T112	V108-H114 WeakPolarHBondContact CG1-O 3.19Å; T112-H114 PolarHBondContact O-N 3.2Å; T112-H114 PolarHBondContact OG1-N 3.5Å; T112-H114 VanDerWaalsContact OG1-N 3.1Å; T112-H114 PolarHBondContact OG1-O 2.97Å
115	C	98.8	Very high	98.8	Very high	79 Å²	79	65.5 Å²	65.5	53%	0.534	35%	0.35	S	S	.	.	S	Bend	trans	-100.6	-12.8	179.4	-54.7	0	0	0	0	113.4	G90 A91	G90-C115 CarbonylContact C-O 3.59Å; G90-C115 VanDerWaalsContact CA-O 3.29Å; G90-C115 WeakPolarHBondContact CA-O 3.3Å; A91-C115 PolarHBondContact N-O 3.21Å
116	F	98.9	Very high	98.7	Very high	121 Å²	121	65.7 Å²	65.7	53%	0.531	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	123.1	-171.2	-159.2	174.1	0	0	0	111.6	A91 S93	A91-F116 HydrophobicContact CB-CB 4.26Å; A91-F116 HydrophobicContact CB-CD1 4.36Å; A91-F116 HydrophobicContact CB-CD2 3.54Å; A91-F116 HydrophobicContact CB-CE2 3.9Å; A91-F116 HydrophobicContact CB-CG 3.8Å; A91-F116 HydrophobicContact CB-CZ 4.45Å; A91-F116 WeakPolarHBondContact O-CA 3.49Å; A91-F116 WeakPolarHBondContact O-CD2 3.23Å; S93-F116 WeakPolarHBondContact OG-CE2 3.46Å; S93-F116 WeakPolarHBondContact OG-CZ 3.35Å
117	L	98.9	Very high	98.7	Very high	36 Å²	36	67.3 Å²	67.3	19%	0.188	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	155.9	169.3	-59.1	-178.2	0	0	0	110.5	A91 V92 S93 V108 A122 F125	A91-L117 PolarHBondContact O-N 3.44Å; A91-L117 VanDerWaalsContact O-N 3.12Å; V92-L117 VanDerWaalsContact CA-O 3.25Å; V92-L117 WeakPolarHBondContact CA-O 3.22Å; S93-L117 PolarHBondContact N-O 3.05Å; V108-L117 HydrophobicContact CG1-CG 4.43Å; V108-L117 HydrophobicContact CG2-CB 4.41Å; V108-L117 HydrophobicContact CG2-CD1 3.84Å; V108-L117 HydrophobicContact CG2-CG 4Å; L117-A122 HydrophobicContact CB-CB 3.94Å; L117-F125 HydrophobicContact CD1-CB 3.62Å; L117-F125 HydrophobicContact CD1-CD1 3.67Å; L117-F125 HydrophobicContact CD1-CD2 4.36Å; L117-F125 HydrophobicContact CD1-CE1 4.45Å; L117-F125 HydrophobicContact CD1-CG 3.61Å
118	T	98.9	Very high	98.7	Very high	77 Å²	77	68.9 Å²	68.9	47%	0.472	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.7	180	-170.7	0	0	0	0	111.5	S93 Q120 G121 A122	S93-T118 CarbonylContact O-C 3.58Å; S93-T118 WeakPolarHBondContact O-CA 3.4Å; S93-T118 PolarHBondContact O-OG1 2.97Å; S93-T118 VanDerWaalsContact O-OG1 3.09Å; S93-T118 VanDerWaalsContact OG-CB 3.28Å; S93-T118 WeakPolarHBondContact OG-CB 3.29Å; S93-T118 PolarHBondContact OG-OG1 3.33Å; T118-Q120 PolarHBondContact O-N 2.9Å; T118-G121 PolarHBondContact O-N 3.47Å; T118-A122 PolarHBondContact O-N 3.03Å; T118-A122 VanDerWaalsContact O-N 3.17Å
119	D	98.7	Very high	98.7	Very high	76 Å²	76	72.7 Å²	72.7	41%	0.406	41%	0.41	S	S	.	.	H	α-helix	trans	43	-118.2	168	-176.4	13.4	0	0	0	112	S93 A94 G121 A122 A123	S93-D119 PolarHBondContact O-N 2.8Å; A94-D119 HydrophobicContact CB-CB 4.35Å; D119-G121 VanDerWaalsContact C-N 3.29Å; D119-G121 PolarHBondContact O-N 2.92Å; D119-A122 PolarHBondContact O-N 3.39Å; D119-A122 VanDerWaalsContact O-N 3.07Å; D119-A123 PolarHBondContact O-N 3.13Å
120	Q	98.5	Very high	98.7	Very high	140 Å²	140	74.4 Å²	74.4	65%	0.654	43%	0.434	S	S	*	.	H	α-helix	trans	-57.7	-39.3	-175.3	-58.9	-176.9	-46	0	0	113	T118 A123 Q124	T118-Q120 PolarHBondContact O-N 2.9Å; Q120-A123 PolarHBondContact O-N 2.87Å; Q120-Q124 VanDerWaalsContact O-CG 3.25Å; Q120-Q124 WeakPolarHBondContact O-CG 3.28Å; Q120-Q124 PolarHBondContact O-N 3.4Å
121	G	98.6	Very high	98.7	Very high	34 Å²	34	71.8 Å²	71.8	35%	0.351	42%	0.424	S	S	.	.	H	α-helix	trans	-69	-38.8	179.3	0	0	0	0	0	112	T118 D119 F125	T118-G121 PolarHBondContact O-N 3.47Å; D119-G121 VanDerWaalsContact C-N 3.29Å; D119-G121 PolarHBondContact O-N 2.92Å; G121-F125 WeakPolarHBondContact O-CB 3.36Å; G121-F125 PolarHBondContact O-N 3.3Å
122	A	98.8	Very high	98.7	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-68.1	-39.4	174.8	0	0	0	0	0	111.6	V92 V95 L104 L117 T118 D119 F125 A126	V92-A122 HydrophobicContact CG1-CB 4.3Å; V95-A122 HydrophobicContact CG1-CB 3.53Å; L104-A122 HydrophobicContact CD2-CB 4.43Å; L117-A122 HydrophobicContact CB-CB 3.94Å; T118-A122 PolarHBondContact O-N 3.03Å; T118-A122 VanDerWaalsContact O-N 3.17Å; D119-A122 PolarHBondContact O-N 3.39Å; D119-A122 VanDerWaalsContact O-N 3.07Å; A122-F125 PolarHBondContact O-N 3.19Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 2.72Å
123	A	98.6	Very high	98.6	Very high	56 Å²	56	76.8 Å²	76.8	46%	0.463	46%	0.456	S	S	.	.	H	α-helix	trans	-64.7	-44.9	176.8	0	0	0	0	0	112.5	D119 Q120 F125 A126 A127	D119-A123 PolarHBondContact O-N 3.13Å; Q120-A123 PolarHBondContact O-N 2.87Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.79Å; A123-A126 WeakPolarHBondContact O-CB 3.16Å; A123-A126 PolarHBondContact O-N 2.88Å; A123-A127 PolarHBondContact O-N 3.32Å
124	Q	98.8	Very high	98.6	Very high	139 Å²	139	72.4 Å²	72.4	65%	0.65	43%	0.426	S	S	*	.	H	α-helix	trans	-61.7	-41.3	175.1	-71.6	168.3	28.6	0	0	111.6	Q120 A127 A128	Q120-Q124 VanDerWaalsContact O-CG 3.25Å; Q120-Q124 WeakPolarHBondContact O-CG 3.28Å; Q120-Q124 PolarHBondContact O-N 3.4Å; Q124-A127 PolarHBondContact O-N 3.09Å; Q124-A128 PolarHBondContact O-N 3.2Å
125	F	98.9	Very high	98.6	Very high	28 Å²	28	70.7 Å²	70.7	12%	0.123	43%	0.425	C	S	.	.	H	α-helix	trans	-65.1	-41.7	175.9	178.1	-112.5	0	0	0	112.1	L104 L107 V108 K111 T112 L117 G121 A122 A123 A127 A128 M129	L104-F125 HydrophobicContact CD1-CD1 3.71Å; L104-F125 HydrophobicContact CD1-CE1 3.99Å; L107-F125 HydrophobicContact CB-CE1 3.78Å; L107-F125 HydrophobicContact CB-CZ 4.05Å; V108-F125 HydrophobicContact CB-CE1 4.48Å; V108-F125 HydrophobicContact CG2-CD1 3.95Å; V108-F125 HydrophobicContact CG2-CE1 3.72Å; K111-F125 HydrophobicContact CB-CZ 4.17Å; T112-F125 HydrophobicContact CG2-CD2 4.07Å; T112-F125 HydrophobicContact CG2-CE1 4.17Å; T112-F125 HydrophobicContact CG2-CE2 3.34Å; T112-F125 HydrophobicContact CG2-CZ 3.4Å; L117-F125 HydrophobicContact CD1-CB 3.62Å; L117-F125 HydrophobicContact CD1-CD1 3.67Å; L117-F125 HydrophobicContact CD1-CD2 4.36Å; L117-F125 HydrophobicContact CD1-CE1 4.45Å; L117-F125 HydrophobicContact CD1-CG 3.61Å; G121-F125 WeakPolarHBondContact O-CB 3.36Å; G121-F125 PolarHBondContact O-N 3.3Å; A122-F125 PolarHBondContact O-N 3.19Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.79Å; F125-A127 VanDerWaalsContact C-N 3.33Å; F125-A127 PolarHBondContact O-N 2.76Å; F125-A128 PolarHBondContact O-N 3.39Å; F125-M129 HydrophobicContact CD1-CG 4.47Å; F125-M129 HydrophobicContact CD2-CG 4.18Å; F125-M129 HydrophobicContact CE1-CG 4.01Å; F125-M129 HydrophobicContact CE2-CE 3.97Å; F125-M129 HydrophobicContact CE2-CG 3.69Å; F125-M129 HydrophobicContact CE2-SD 3.89Å; F125-M129 HydrophobicContact CZ-CG 3.59Å; F125-M129 HydrophobicContact CZ-SD 3.95Å; F125-M129 WeakPolarHBondContact O-CG 3.5Å; F125-M129 PolarHBondContact O-N 2.97Å
126	A	98.7	Very high	98.5	Very high	3 Å²	3	68.3 Å²	68.3	3%	0.025	41%	0.413	C	S	.	.	H	α-helix	trans	-57.6	-46.1	174.7	0	0	0	0	0	111.4	L104 A122 A123 A128 M129 G130 V131	L104-A126 HydrophobicContact CD1-CB 3.73Å; L104-A126 HydrophobicContact CD2-CB 3.9Å; L104-A126 HydrophobicContact CG-CB 4.49Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 2.72Å; A123-A126 WeakPolarHBondContact O-CB 3.16Å; A123-A126 PolarHBondContact O-N 2.88Å; A126-A128 PolarHBondContact O-N 3.43Å; A126-M129 PolarHBondContact O-N 2.93Å; A126-G130 PolarHBondContact O-N 2.69Å; A126-V131 HydrophobicContact CB-CB 4.01Å; A126-V131 HydrophobicContact CB-CG1 4.47Å; A126-V131 HydrophobicContact CB-CG2 4.33Å; A126-V131 WeakPolarHBondContact O-CB 3.39Å; A126-V131 PolarHBondContact O-N 3.09Å
127	A	98.6	Very high	98.4	Very high	71 Å²	71	69.2 Å²	69.2	59%	0.587	42%	0.419	S	S	*	.	H	α-helix	trans	-61.3	-43.8	175.4	0	0	0	0	0	112.1	A123 Q124 F125 M129 G130	A123-A127 PolarHBondContact O-N 3.32Å; Q124-A127 PolarHBondContact O-N 3.09Å; F125-A127 VanDerWaalsContact C-N 3.33Å; F125-A127 PolarHBondContact O-N 2.76Å; A127-M129 VanDerWaalsContact C-N 3.25Å; A127-M129 PolarHBondContact O-N 3.2Å; A127-G130 PolarHBondContact O-N 3.36Å
128	A	98.6	Very high	98.3	Very high	74 Å²	74	74 Å²	74	61%	0.612	44%	0.438	S	S	*	.	H	α-helix	trans	-62.9	-31	177.4	0	0	0	0	0	113.1	Q124 F125 A126 G130	Q124-A128 PolarHBondContact O-N 3.2Å; F125-A128 PolarHBondContact O-N 3.39Å; A126-A128 PolarHBondContact O-N 3.43Å; A128-G130 VanDerWaalsContact C-N 3.32Å
129	M	98.7	Very high	98.3	Very high	80 Å²	80	70.5 Å²	70.5	39%	0.394	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.7	175.4	-63.2	-62.1	97.8	0	0	113.5	L107 K111 F125 A126 A127 V131	L107-M129 HydrophobicContact CB-CG 4.49Å; L107-M129 HydrophobicContact CD1-CB 3.85Å; L107-M129 HydrophobicContact CD1-CG 4.11Å; L107-M129 HydrophobicContact CD2-SD 4.5Å; K111-M129 HydrophobicContact CB-SD 4.06Å; K111-M129 HydrophobicContact CG-SD 4.14Å; F125-M129 HydrophobicContact CD1-CG 4.47Å; F125-M129 HydrophobicContact CD2-CG 4.18Å; F125-M129 HydrophobicContact CE1-CG 4.01Å; F125-M129 HydrophobicContact CE2-CE 3.97Å; F125-M129 HydrophobicContact CE2-CG 3.69Å; F125-M129 HydrophobicContact CE2-SD 3.89Å; F125-M129 HydrophobicContact CZ-CG 3.59Å; F125-M129 HydrophobicContact CZ-SD 3.95Å; F125-M129 WeakPolarHBondContact O-CG 3.5Å; F125-M129 PolarHBondContact O-N 2.97Å; A126-M129 PolarHBondContact O-N 2.93Å; A127-M129 VanDerWaalsContact C-N 3.25Å; A127-M129 PolarHBondContact O-N 3.2Å; M129-V131 HydrophobicContact CB-CG2 4.35Å
130	G	98.4	Very high	98.3	Very high	61 Å²	61	68.1 Å²	68.1	63%	0.629	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	23.3	-179.1	0	0	0	0	0	114.2	A126 A127 A128	A126-G130 PolarHBondContact O-N 2.69Å; A127-G130 PolarHBondContact O-N 3.36Å; A128-G130 VanDerWaalsContact C-N 3.32Å
131	V	98.4	Very high	98.3	Very high	40 Å²	40	62.6 Å²	62.6	24%	0.242	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-67.8	127.3	173.4	178	0	0	0	0	108.8	I98 L104 L107 A126 M129 E133	I98-V131 HydrophobicContact CB-CG1 4.22Å; I98-V131 HydrophobicContact CG2-CG1 3.84Å; L104-V131 HydrophobicContact CD1-CG2 4.38Å; L107-V131 HydrophobicContact CD1-CG2 3.88Å; A126-V131 HydrophobicContact CB-CB 4.01Å; A126-V131 HydrophobicContact CB-CG1 4.47Å; A126-V131 HydrophobicContact CB-CG2 4.33Å; A126-V131 WeakPolarHBondContact O-CB 3.39Å; A126-V131 PolarHBondContact O-N 3.09Å; M129-V131 HydrophobicContact CB-CG2 4.35Å; V131-E133 PolarHBondContact O-N 3.36Å
132	P	98.2	Very high	98.3	Very high	95 Å²	95	66.5 Å²	66.5	62%	0.617	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-63.7	128.2	-179.8	-23.5	34.1	0	0	0	112.2
133	E	98.3	Very high	98.2	Very high	168 Å²	168	70 Å²	70	79%	0.785	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-76.1	129.5	164.8	-168.4	-176.9	166.1	0	0	109.3	C97 V131	C97-E133 HydrophobicContact CB-CG 3.88Å; C97-E133 CarbonylContact O-C 3.24Å; C97-E133 WeakPolarHBondContact O-CA 3.35Å; V131-E133 PolarHBondContact O-N 3.36Å
134	I	98.2	Very high	98.2	Very high	31 Å²	31	67.5 Å²	67.5	16%	0.159	38%	0.382	C	S	.	.			trans	-119.1	146.8	177.8	58.1	164.8	0	0	0	110.7	C97 A99 G136 K138 L139	C97-I134 WeakPolarHBondContact CA-O 3.46Å; C97-I134 VanDerWaalsContact CB-O 3.29Å; C97-I134 WeakPolarHBondContact CB-O 3.36Å; C97-I134 WeakPolarHBondContact O-CG1 3.2Å; C97-I134 PolarHBondContact O-N 3.18Å; A99-I134 HydrophobicContact CB-CD1 4.07Å; I134-G136 PolarHBondContact O-N 3.46Å; I134-K138 HydrophobicContact CB-CD 4.34Å; I134-K138 HydrophobicContact CD1-CB 4.4Å; I134-L139 HydrophobicContact CD1-CD1 4.48Å; I134-L139 HydrophobicContact CD1-CD2 3.75Å; I134-L139 HydrophobicContact CD1-CG 3.99Å
135	P	98.1	Very high	98.1	Very high	76 Å²	76	64 Å²	64	49%	0.494	36%	0.364	S	S	.	.			trans	-56.2	133.9	173.9	-24.9	33.5	0	0	0	111.6	E137 K138	P135-E137 PolarHBondContact O-N 3.44Å; P135-K138 WeakPolarHBondContact O-CB 3.47Å; P135-K138 PolarHBondContact O-N 3.01Å
136	G	96.1	Very high	98.1	Very high	28 Å²	28	69.4 Å²	69.4	29%	0.289	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-52.5	-38.3	-179.4	0	0	0	0	0	113.4	I134 K138 L139 V140	I134-G136 PolarHBondContact O-N 3.46Å; G136-K138 PolarHBondContact O-N 3.45Å; G136-L139 WeakPolarHBondContact O-CB 3.38Å; G136-L139 PolarHBondContact O-N 3.06Å; G136-V140 PolarHBondContact O-N 2.91Å
137	E	97.1	Very high	98	Very high	141 Å²	141	74.5 Å²	74.5	66%	0.659	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-50.5	-29.6	173.2	-107.8	65.1	-156.3	0	0	114.8	P135 L139 V140	P135-E137 PolarHBondContact O-N 3.44Å; E137-L139 PolarHBondContact O-N 3.09Å; E137-V140 PolarHBondContact O-N 3.44Å
138	K	97.8	Very high	97.9	Very high	137 Å²	137	72.4 Å²	72.4	60%	0.596	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-68.9	-23.3	178.1	-69.1	-169.4	178.2	178	0	112.9	C65 I134 P135 G136	C65-K138 PolarHBondContact SG-O 2.96Å; I134-K138 HydrophobicContact CB-CD 4.34Å; I134-K138 HydrophobicContact CD1-CB 4.4Å; P135-K138 WeakPolarHBondContact O-CB 3.47Å; P135-K138 PolarHBondContact O-N 3.01Å; G136-K138 PolarHBondContact O-N 3.45Å
139	L	98.4	Very high	97.9	Very high	2 Å²	2	74.3 Å²	74.3	1%	0.01	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-22	176.9	-60	174.4	0	0	0	111.9	C65 G66 V75 M77 I134 G136 E137	C65-L139 HydrophobicContact CB-CD2 4.36Å; G66-L139 PolarHBondContact N-O 3.05Å; V75-L139 HydrophobicContact CB-CB 4.23Å; V75-L139 HydrophobicContact CB-CD1 4.43Å; V75-L139 HydrophobicContact CG1-CB 4.16Å; V75-L139 HydrophobicContact CG1-CD1 4.02Å; V75-L139 HydrophobicContact CG2-CB 4.06Å; M77-L139 HydrophobicContact CE-CD1 3.7Å; M77-L139 HydrophobicContact SD-CD1 4.33Å; I134-L139 HydrophobicContact CD1-CD1 4.48Å; I134-L139 HydrophobicContact CD1-CD2 3.75Å; I134-L139 HydrophobicContact CD1-CG 3.99Å; G136-L139 WeakPolarHBondContact O-CB 3.38Å; G136-L139 PolarHBondContact O-N 3.06Å; E137-L139 PolarHBondContact O-N 3.09Å
140	V	98.4	Very high	97.7	Very high	26 Å²	26	76.6 Å²	76.6	16%	0.158	39%	0.389	C	S	.	.			trans	-82.7	134.8	-175.6	179.1	0	0	0	0	110.9	L69 V75 G136 E137 K145	L69-V140 HydrophobicContact CD1-CG1 4.48Å; L69-V140 HydrophobicContact CD2-CG1 4.13Å; L69-V140 HydrophobicContact CD2-CG2 3.94Å; V75-V140 HydrophobicContact CG2-CG2 4.02Å; G136-V140 PolarHBondContact O-N 2.91Å; E137-V140 PolarHBondContact O-N 3.44Å; V140-K145 HydrophobicContact CG1-CD 4.2Å; V140-K145 VanDerWaalsContact CG1-CE 3.46Å; V140-K145 HydrophobicContact CG1-CG 3.77Å
141	T	98.3	Very high	97.5	Very high	25 Å²	25	77.5 Å²	77.5	15%	0.153	38%	0.377	C	S	.	.			trans	-113.1	147.8	172.3	67.2	0	0	0	0	111.4	P59 R143 N144 K145	P59-T141 HydrophobicContact CB-CG2 4.13Å; T141-R143 PolarHBondContact O-N 3.41Å; T141-R143 VanDerWaalsContact O-N 3.12Å; T141-N144 PolarHBondContact O-N 3.44Å; T141-N144 PolarHBondContact OG1-N 3.3Å; T141-N144 PolarHBondContact OG1-ND2 3.42Å; T141-K145 PolarHBondContact O-N 2.92Å
142	E	98.1	Very high	97.2	Very high	115 Å²	115	80.6 Å²	80.6	54%	0.537	39%	0.387	S	S	.	.	H	α-helix	trans	-55.6	-31.2	174.2	-70.7	-54.5	125.9	0	0	112.8	K145 K146	E142-K145 WeakPolarHBondContact OE1-CD 3.47Å; E142-K145 WeakPolarHBondContact OE1-CE 3.37Å; E142-K145 IonicContact OE1-NZ 3.56Å; E142-K145 PolarHBondContact OE1-NZ 3.39Å; E142-K146 WeakPolarHBondContact O-CG 3.49Å; E142-K146 PolarHBondContact O-N 2.95Å; E142-K146 VanDerWaalsContact O-N 3.14Å
143	R	97.3	Very high	96.8	Very high	74 Å²	74	83 Å²	83	28%	0.279	39%	0.39	S	S	.	.	H	α-helix	trans	-60.6	-46.4	173.5	177.6	-169.5	179.2	135.6	8	112.2	R19 E60 T141 R147	R19-R143 VanDerWaalsContact CD-NH1 3.3Å; R19-R143 VanDerWaalsContact CZ-CZ 3.46Å; R19-R143 VanDerWaalsContact NE-CZ 3.29Å; E60-R143 IonicContact OE1-CZ 2.75Å; E60-R143 IonicContact OE1-NH1 3.81Å; E60-R143 PolarHBondContact OE1-NH1 2.97Å; E60-R143 IonicContact OE2-NH1 2.77Å; T141-R143 PolarHBondContact O-N 3.41Å; T141-R143 VanDerWaalsContact O-N 3.12Å; R143-R147 VanDerWaalsContact NE-CZ 3.34Å; R143-R147 WeakPolarHBondContact O-CG 3.35Å; R143-R147 PolarHBondContact O-N 3.43Å; R143-R147 VanDerWaalsContact O-N 3.13Å
144	N	98.1	Very high	96.2	Very high	4 Å²	4	79.2 Å²	79.2	2%	0.021	37%	0.372	C	S	.	.	H	α-helix	trans	-77.4	-29.4	-177.4	-70.9	-26.9	0	0	0	112.2	G66 S67 L69 T141 R147 L148	G66-N144 PolarHBondContact O-ND2 2.66Å; S67-N144 PolarHBondContact O-ND2 2.99Å; L69-N144 HydrophobicContact CG-CB 4.2Å; T141-N144 PolarHBondContact O-N 3.44Å; T141-N144 PolarHBondContact OG1-N 3.3Å; T141-N144 PolarHBondContact OG1-ND2 3.42Å; N144-R147 WeakPolarHBondContact O-CB 3.41Å; N144-R147 PolarHBondContact O-N 3.49Å; N144-R147 WeakPolarHBondContact OD1-CD 3.45Å; N144-R147 PolarHBondContact OD1-NH1 3.29Å; N144-L148 PolarHBondContact O-N 3.28Å
145	K	98.3	Very high	95	Very high	65 Å²	65	83.2 Å²	83.2	28%	0.283	39%	0.389	S	S	.	.	H	α-helix	trans	-55.6	-54.6	167	-67.6	-177.6	-176.4	168.5	0	111.4	L69 V140 T141 E142 R147 L148 E149	L69-K145 HydrophobicContact CD1-CG 4.13Å; V140-K145 HydrophobicContact CG1-CD 4.2Å; V140-K145 VanDerWaalsContact CG1-CE 3.46Å; V140-K145 HydrophobicContact CG1-CG 3.77Å; T141-K145 PolarHBondContact O-N 2.92Å; E142-K145 WeakPolarHBondContact OE1-CD 3.47Å; E142-K145 WeakPolarHBondContact OE1-CE 3.37Å; E142-K145 IonicContact OE1-NZ 3.56Å; E142-K145 PolarHBondContact OE1-NZ 3.39Å; K145-R147 VanDerWaalsContact C-N 3.27Å; K145-R147 PolarHBondContact O-N 3.41Å; K145-L148 PolarHBondContact O-N 2.96Å; K145-L148 VanDerWaalsContact O-N 3.13Å; K145-E149 WeakPolarHBondContact O-CG 3.36Å; K145-E149 PolarHBondContact O-N 3.08Å
146	K	97.7	Very high	93.4	Very high	141 Å²	141	81.6 Å²	81.6	61%	0.613	39%	0.385	S	S	*	.	H	α-helix	trans	-58.7	-36.1	177.5	-71.5	177.8	-178.4	179	0	113.3	E142 K150	E142-K146 WeakPolarHBondContact O-CG 3.49Å; E142-K146 PolarHBondContact O-N 2.95Å; E142-K146 VanDerWaalsContact O-N 3.14Å; K146-K150 VanDerWaalsContact O-CB 3.28Å; K146-K150 WeakPolarHBondContact O-CB 3.34Å; K146-K150 PolarHBondContact O-N 3.49Å
147	R	96.6	Very high	91.6	Very high	110 Å²	110	82.9 Å²	82.9	42%	0.415	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-47.8	175.7	-79	168	160.2	-176.9	-14.3	111.6	R143 N144 K145 K150 E151	R143-R147 VanDerWaalsContact NE-CZ 3.34Å; R143-R147 WeakPolarHBondContact O-CG 3.35Å; R143-R147 PolarHBondContact O-N 3.43Å; R143-R147 VanDerWaalsContact O-N 3.13Å; N144-R147 WeakPolarHBondContact O-CB 3.41Å; N144-R147 PolarHBondContact O-N 3.49Å; N144-R147 WeakPolarHBondContact OD1-CD 3.45Å; N144-R147 PolarHBondContact OD1-NH1 3.29Å; K145-R147 VanDerWaalsContact C-N 3.27Å; K145-R147 PolarHBondContact O-N 3.41Å; R147-K150 PolarHBondContact O-N 3.22Å; R147-E151 WeakPolarHBondContact O-CB 3.32Å; R147-E151 PolarHBondContact O-N 3.44Å
148	L	97.7	Very high	89.6	Confident	28 Å²	28	82.8 Å²	82.8	15%	0.147	39%	0.393	C	S	.	.	H	α-helix	trans	-64.8	-44.6	179.4	179.6	64.4	0	0	0	111.7	L69 N70 N144 K145 K150 E151 K152	L69-L148 HydrophobicContact CB-CB 4.3Å; L69-L148 HydrophobicContact CB-CD2 3.79Å; L69-L148 HydrophobicContact CD1-CB 4.27Å; L69-L148 HydrophobicContact CD1-CD2 4.04Å; N70-L148 WeakPolarHBondContact O-CD1 3.48Å; N70-L148 WeakPolarHBondContact O-CD2 3.28Å; N144-L148 PolarHBondContact O-N 3.28Å; K145-L148 PolarHBondContact O-N 2.96Å; K145-L148 VanDerWaalsContact O-N 3.13Å; L148-K150 PolarHBondContact O-N 3.46Å; L148-E151 PolarHBondContact O-N 2.94Å; L148-K152 HydrophobicContact CD1-CG 4.35Å; L148-K152 HydrophobicContact CG-CD 4.36Å; L148-K152 WeakPolarHBondContact O-CG 3.38Å; L148-K152 PolarHBondContact O-N 3.27Å
149	E	97	Very high	87.5	Confident	114 Å²	114	84 Å²	84	53%	0.533	40%	0.398	S	S	.	.	H	α-helix	trans	-56.6	-50	176.6	-72.1	168.7	-179	0	0	111.2	K145 E151 K152 H153	K145-E149 WeakPolarHBondContact O-CG 3.36Å; K145-E149 PolarHBondContact O-N 3.08Å; E149-E151 PolarHBondContact O-N 3.36Å; E149-K152 PolarHBondContact O-N 2.6Å; E149-H153 PolarHBondContact O-CD2 3.17Å; E149-H153 PolarHBondContact O-N 3.05Å; E149-H153 VanDerWaalsContact O-N 3.08Å
150	K	95.8	Very high	85.1	Confident	127 Å²	127	88.5 Å²	88.5	55%	0.552	43%	0.426	S	S	*	.	H	α-helix	trans	-58.5	-47.2	177.4	-177.8	179	171	-177.7	0	111.7	K146 R147 L148 K152 H153 E154	K146-K150 VanDerWaalsContact O-CB 3.28Å; K146-K150 WeakPolarHBondContact O-CB 3.34Å; K146-K150 PolarHBondContact O-N 3.49Å; R147-K150 PolarHBondContact O-N 3.22Å; L148-K150 PolarHBondContact O-N 3.46Å; K150-K152 VanDerWaalsContact C-N 3.34Å; K150-K152 PolarHBondContact O-N 3.38Å; K150-H153 PolarHBondContact O-N 3.2Å; K150-E154 WeakPolarHBondContact CE-OE1 3.44Å; K150-E154 HydrophobicContact CG-CG 4.45Å; K150-E154 IonicContact NZ-OE1 3.19Å; K150-E154 WeakPolarHBondContact O-CG 3.49Å; K150-E154 PolarHBondContact O-N 2.9Å
151	E	94.7	Very high	82.8	Confident	81 Å²	81	93.7 Å²	93.7	38%	0.379	45%	0.452	S	S	.	.	H	α-helix	trans	-60.7	-41.3	179.3	-177	68	-161.9	0	0	112	R147 L148 E149 E154 K155	R147-E151 WeakPolarHBondContact O-CB 3.32Å; R147-E151 PolarHBondContact O-N 3.44Å; L148-E151 PolarHBondContact O-N 2.94Å; E149-E151 PolarHBondContact O-N 3.36Å; E151-E154 PolarHBondContact O-N 2.84Å; E151-K155 HydrophobicContact CG-CD 4.23Å; E151-K155 WeakPolarHBondContact O-CB 3.2Å; E151-K155 PolarHBondContact O-N 3.16Å; E151-K155 WeakPolarHBondContact OE1-CD 3.22Å; E151-K155 WeakPolarHBondContact OE1-CE 3.45Å; E151-K155 IonicContact OE1-NZ 2.66Å; E151-K155 PolarHBondContact OE1-NZ 2.7Å
152	K	91.7	Very high	80.5	Confident	105 Å²	105	97.9 Å²	97.9	46%	0.457	48%	0.482	S	S	.	.	H	α-helix	trans	-63.5	-41.1	176.3	-75	-176.7	178.7	-172.8	0	111.9	T71 L148 E149 K150 G156	T71-K152 WeakPolarHBondContact O-CE 3.4Å; T71-K152 PolarHBondContact O-NZ 2.91Å; L148-K152 HydrophobicContact CD1-CG 4.35Å; L148-K152 HydrophobicContact CG-CD 4.36Å; L148-K152 WeakPolarHBondContact O-CG 3.38Å; L148-K152 PolarHBondContact O-N 3.27Å; E149-K152 PolarHBondContact O-N 2.6Å; K150-K152 VanDerWaalsContact C-N 3.34Å; K150-K152 PolarHBondContact O-N 3.38Å; K152-G156 PolarHBondContact O-N 2.87Å
153	H	88.9	Confident	77.9	Confident	146 Å²	146	100.5 Å²	100.5	68%	0.676	49%	0.494	S	S	*	.	H	α-helix	trans	-67	-45.2	176.6	-76.8	-66	0	0	0	112.5	E149 K150 G156 A157	E149-H153 PolarHBondContact O-CD2 3.17Å; E149-H153 PolarHBondContact O-N 3.05Å; E149-H153 VanDerWaalsContact O-N 3.08Å; K150-H153 PolarHBondContact O-N 3.2Å; H153-G156 PolarHBondContact O-N 2.93Å; H153-A157 WeakPolarHBondContact O-CB 3.49Å; H153-A157 PolarHBondContact O-N 3.21Å
154	E	85.5	Confident	75.3	Confident	88 Å²	88	109.2 Å²	109.2	41%	0.411	53%	0.534	S	S	.	.	H	α-helix	trans	-64.6	-42	179.9	-72	178.6	165.4	0	0	111.7	K150 E151 A157 Q158	K150-E154 WeakPolarHBondContact CE-OE1 3.44Å; K150-E154 HydrophobicContact CG-CG 4.45Å; K150-E154 IonicContact NZ-OE1 3.19Å; K150-E154 WeakPolarHBondContact O-CG 3.49Å; K150-E154 PolarHBondContact O-N 2.9Å; E151-E154 PolarHBondContact O-N 2.84Å; E154-A157 PolarHBondContact O-N 3.44Å; E154-Q158 WeakPolarHBondContact O-CG 3.32Å; E154-Q158 PolarHBondContact O-N 3.12Å; E154-Q158 VanDerWaalsContact O-N 3.08Å
155	K	73.8	Confident	74.2	Confident	115 Å²	115	114.5 Å²	114.5	50%	0.5	56%	0.559	S	S	.	*	H	α-helix	trans	-69.4	-33.4	174	-77.5	177.5	163.4	150.8	0	113.3	E151 K159	E151-K155 HydrophobicContact CG-CD 4.23Å; E151-K155 WeakPolarHBondContact O-CB 3.2Å; E151-K155 PolarHBondContact O-N 3.16Å; E151-K155 WeakPolarHBondContact OE1-CD 3.22Å; E151-K155 WeakPolarHBondContact OE1-CE 3.45Å; E151-K155 IonicContact OE1-NZ 2.66Å; E151-K155 PolarHBondContact OE1-NZ 2.7Å; K155-K159 WeakPolarHBondContact O-CG 3.47Å; K155-K159 PolarHBondContact O-N 2.9Å
156	G	64.8	Low	72.9	Confident	41 Å²	41	117.1 Å²	117.1	42%	0.423	57%	0.574	S	S	.	*	H	α-helix	trans	-63.3	-46.2	172.7	0	0	0	0	0	111.9	K152 H153 K159 T160	K152-G156 PolarHBondContact O-N 2.87Å; H153-G156 PolarHBondContact O-N 2.93Å; G156-K159 PolarHBondContact O-N 3.26Å; G156-T160 PolarHBondContact O-N 3.42Å; G156-T160 PolarHBondContact O-OG1 3.43Å
157	A	58.4	Low	71.5	Confident	55 Å²	55	115.7 Å²	115.7	46%	0.455	57%	0.572	S	S	.	*	H	α-helix	trans	-64.6	-40.6	178.7	0	0	0	0	0	112.7	H153 E154 K159 T160 D161	H153-A157 WeakPolarHBondContact O-CB 3.49Å; H153-A157 PolarHBondContact O-N 3.21Å; E154-A157 PolarHBondContact O-N 3.44Å; A157-K159 VanDerWaalsContact C-N 3.33Å; A157-K159 PolarHBondContact O-N 3.12Å; A157-T160 WeakPolarHBondContact CA-OG1 3.48Å; A157-T160 PolarHBondContact O-N 2.91Å; A157-T160 PolarHBondContact O-OG1 3.39Å; A157-D161 PolarHBondContact O-N 3.33Å
158	Q	54.3	Low	70	Confident	139 Å²	139	116.1 Å²	116.1	65%	0.65	58%	0.581	S	S	*	*	H	α-helix	trans	-65.9	-32	176.7	-75.5	174	4.5	0	0	113.2	E154	E154-Q158 WeakPolarHBondContact O-CG 3.32Å; E154-Q158 PolarHBondContact O-N 3.12Å; E154-Q158 VanDerWaalsContact O-N 3.08Å
159	K	53	Low	68.3	Low	163 Å²	163	121.6 Å²	121.6	71%	0.709	61%	0.608	S	S	*	*	H	α-helix	trans	-69.5	-30.8	175.5	-77.7	-176.6	179.6	-174.8	0	113	K155 G156 A157	K155-K159 WeakPolarHBondContact O-CG 3.47Å; K155-K159 PolarHBondContact O-N 2.9Å; G156-K159 PolarHBondContact O-N 3.26Å; A157-K159 VanDerWaalsContact C-N 3.33Å; A157-K159 PolarHBondContact O-N 3.12Å
160	T	48.6	Very low	66.4	Low	96 Å²	96	122.1 Å²	122.1	59%	0.589	61%	0.613	S	S	*	*	H	α-helix	trans	-73.2	-29	175.9	21	0	0	0	0	113.8	G156 A157	G156-T160 PolarHBondContact O-N 3.42Å; G156-T160 PolarHBondContact O-OG1 3.43Å; A157-T160 WeakPolarHBondContact CA-OG1 3.48Å; A157-T160 PolarHBondContact O-N 2.91Å; A157-T160 PolarHBondContact O-OG1 3.39Å
161	D	50.9	Low	64.3	Low	135 Å²	135	121.7 Å²	121.7	72%	0.722	62%	0.618	S	S	*	*	H	α-helix	trans	-83.3	-15.8	-179.6	-91.4	-17.5	0	0	0	114.1	A157	A157-D161 PolarHBondContact O-N 3.33Å
162	C	49	Very low	62	Low	114 Å²	114	124.8 Å²	124.8	77%	0.77	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	6.4	-179.9	-147.7	0	0	0	0	113.6
163	Q	44.2	Very low	59.5	Low	170 Å²	170	126.5 Å²	126.5	79%	0.794	65%	0.651	S	S	*	*			trans	-103.4	29.7	179.8	-72.7	-171.7	-22	0	0	114.2
164	K	42.5	Very low	56.8	Low	256 Å²	256	124.7 Å²	124.7	100%	1.113	65%	0.649	S	S	*	*			trans	-116	0	173.2	-72.6	-174.7	-177.6	173.9	0	112.3

Retrieved 164 of 164 residues in 136.8 ms (Link to these results)

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