A0A077Z4W2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z4W2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 aa.

Structure Viewer

Loading PAE data...

(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	28.9	Very low	28.8	Very low	247 Å²	247	117.5 Å²	117.5	100%	1.217	62%	0.621	S	S	*	*				0	108.3	0	-66.4	177.8	-129	0	0	107.4	A3	M1-A3 PolarHBondContact O-N 3.09Å
2	R	25.5	Very low	29	Very low	245 Å²	245	111.6 Å²	111.6	93%	0.925	59%	0.59	S	S	*	*			trans	-77.9	120.3	173.8	-89	-178.8	172	171.5	-2.4	106.7	D4	R2-D4 PolarHBondContact O-N 3.49Å; R2-D4 VanDerWaalsContact O-N 3.09Å
3	A	26	Very low	29.3	Very low	100 Å²	100	105.5 Å²	105.5	83%	0.826	56%	0.561	S	S	*	*			trans	-59.8	112.9	170.9	0	0	0	0	0	107.5	M1 A5	M1-A3 PolarHBondContact O-N 3.09Å; A3-A5 PolarHBondContact O-N 2.88Å
4	D	25.1	Very low	29.3	Very low	149 Å²	149	109.1 Å²	109.1	80%	0.797	57%	0.57	S	S	*	*			trans	-54.7	122.9	170.5	-74.1	-49.4	0	0	0	107.6	R2 V6	R2-D4 PolarHBondContact O-N 3.49Å; R2-D4 VanDerWaalsContact O-N 3.09Å; D4-V6 PolarHBondContact O-N 3.17Å
5	A	27.5	Very low	29.1	Very low	72 Å²	72	104.7 Å²	104.7	60%	0.595	56%	0.556	S	S	*	*			trans	-63.1	102.7	-177.8	0	0	0	0	0	108.7	A3 Q7	A3-A5 PolarHBondContact O-N 2.88Å; A5-Q7 PolarHBondContact O-N 2.78Å; A5-Q7 VanDerWaalsContact O-N 3.09Å
6	V	25.7	Very low	29	Very low	114 Å²	114	109.4 Å²	109.4	69%	0.691	56%	0.564	S	S	*	*			trans	-64.7	109.4	171.8	-178.6	0	0	0	0	107.2	D4 V8	D4-V6 PolarHBondContact O-N 3.17Å; V6-V8 HydrophobicContact CG1-CG2 4.12Å; V6-V8 PolarHBondContact O-N 2.96Å
7	Q	28.4	Very low	28.9	Very low	64 Å²	64	114.1 Å²	114.1	30%	0.299	57%	0.573	S	S	.	*			trans	-83.6	101.6	174.5	-73.8	-177.4	-23	0	0	108.2	A5 V9	A5-Q7 PolarHBondContact O-N 2.78Å; A5-Q7 VanDerWaalsContact O-N 3.09Å; Q7-V9 PolarHBondContact O-N 3.18Å
8	V	26.9	Very low	28.8	Very low	107 Å²	107	113.4 Å²	113.4	65%	0.648	58%	0.58	S	S	*	*			trans	-83.3	108.2	175.1	-177.5	0	0	0	0	108.5	V6	V6-V8 HydrophobicContact CG1-CG2 4.12Å; V6-V8 PolarHBondContact O-N 2.96Å
9	V	33.3	Very low	28.9	Very low	35 Å²	35	109.8 Å²	109.8	21%	0.212	57%	0.565	C	S	.	*			trans	-98.7	109.4	174.3	-176.4	0	0	0	0	107.9	Q7 I11 L76 I78 I109	Q7-V9 PolarHBondContact O-N 3.18Å; V9-I11 HydrophobicContact CG1-CG1 4.21Å; V9-L76 HydrophobicContact CG2-CD2 3.59Å; V9-I78 HydrophobicContact CG1-CD1 4.3Å; V9-I109 HydrophobicContact CG1-CD1 4.18Å
10	R	31.2	Very low	29.1	Very low	148 Å²	148	107 Å²	107	56%	0.558	56%	0.555	S	S	*	*			trans	-96.5	119.8	174	-179.2	177.5	172	150.1	4.3	109	D12 F108	R10-D12 IonicContact CZ-OD1 3.36Å; R10-D12 IonicContact CZ-OD2 3.77Å; R10-D12 VanDerWaalsContact NE-CG 3.33Å; R10-D12 IonicContact NE-OD1 2.89Å; R10-D12 PolarHBondContact NE-OD1 3.27Å; R10-D12 IonicContact NE-OD2 2.99Å; R10-D12 PolarHBondContact NE-OD2 2.75Å; R10-D12 IonicContact NH2-OD1 2.92Å; R10-D12 PolarHBondContact NH2-OD1 2.86Å; R10-D12 IonicContact NH2-OD2 3.79Å; R10-F108 HydrophobicContact CB-CD1 4.36Å
11	I	38.2	Very low	29.1	Very low	12 Å²	12	105.6 Å²	105.6	6%	0.062	56%	0.559	C	S	.	*			trans	-107.1	105.7	173.8	-52.6	174.6	0	0	0	107.4	V9 M31 V60 I111	V9-I11 HydrophobicContact CG1-CG1 4.21Å; I11-M31 HydrophobicContact CB-CE 4.4Å; I11-M31 HydrophobicContact CB-SD 3.65Å; I11-M31 HydrophobicContact CD1-SD 4.09Å; I11-M31 HydrophobicContact CG1-SD 3.87Å; I11-M31 WeakPolarHBondContact O-CE 3.45Å; I11-V60 HydrophobicContact CD1-CG1 4.15Å; I11-I111 HydrophobicContact CG2-CB 4.45Å; I11-I111 HydrophobicContact CG2-CD1 4.32Å; I11-I111 HydrophobicContact CG2-CG1 4.41Å
12	D	30.8	Very low	29.2	Very low	46 Å²	46	97 Å²	97	25%	0.246	53%	0.527	C	S	.	.			trans	-89.9	110.9	172.9	-67	-59.6	0	0	0	109.2	R10 F14	R10-D12 IonicContact CZ-OD1 3.36Å; R10-D12 IonicContact CZ-OD2 3.77Å; R10-D12 VanDerWaalsContact NE-CG 3.33Å; R10-D12 IonicContact NE-OD1 2.89Å; R10-D12 PolarHBondContact NE-OD1 3.27Å; R10-D12 IonicContact NE-OD2 2.99Å; R10-D12 PolarHBondContact NE-OD2 2.75Å; R10-D12 IonicContact NH2-OD1 2.92Å; R10-D12 PolarHBondContact NH2-OD1 2.86Å; R10-D12 IonicContact NH2-OD2 3.79Å; D12-F14 HydrophobicContact CB-CD2 4.43Å; D12-F14 HydrophobicContact CB-CE2 3.78Å; D12-F14 HydrophobicContact CB-CZ 4.4Å
13	C	33.8	Very low	29.6	Very low	33 Å²	33	86.8 Å²	86.8	22%	0.223	49%	0.491	C	S	.	.			trans	-93.1	114.1	173.5	-61.3	0	0	0	0	109.7	L27	C13-L27 HydrophobicContact CB-CD1 3.69Å
14	F	28.6	Very low	29.9	Very low	155 Å²	155	85.2 Å²	85.2	68%	0.68	47%	0.471	S	S	*	.			trans	-95.6	110	172.6	-67.8	-88.8	0	0	0	109.4	D12	D12-F14 HydrophobicContact CB-CD2 4.43Å; D12-F14 HydrophobicContact CB-CE2 3.78Å; D12-F14 HydrophobicContact CB-CZ 4.4Å
15	A	27.2	Very low	30.3	Very low	43 Å²	43	81.3 Å²	81.3	36%	0.355	45%	0.453	S	S	.	.			trans	-84.9	125.9	165.6	0	0	0	0	0	108.3	R17 P19	A15-R17 PolarHBondContact O-N 3.37Å; A15-P19 HydrophobicContact CB-CB 4Å; A15-P19 HydrophobicContact CB-CG 4.37Å
16	W	26.7	Very low	30.5	Very low	180 Å²	180	79.6 Å²	79.6	68%	0.682	44%	0.438	S	S	*	.	S	Bend	trans	-75.8	10.1	-173.1	-150.3	-3	0	0	0	114.7	P136	W16-P136 HydrophobicContact CH2-CB 3.9Å; W16-P136 HydrophobicContact CH2-CG 3.99Å; W16-P136 HydrophobicContact CZ2-CB 4.27Å; W16-P136 HydrophobicContact CZ2-CG 3.95Å
17	R	27.6	Very low	31.1	Very low	190 Å²	190	75.1 Å²	75.1	72%	0.717	41%	0.411	S	S	*	.	S	Bend	trans	-141.4	128.2	164.3	-68.8	-173.4	175.7	-176.2	-4.7	106.6	A15 D49	A15-R17 PolarHBondContact O-N 3.37Å; R17-D49 IonicContact NH1-OD2 3.29Å; R17-D49 PolarHBondContact NH1-OD2 2.8Å
18	S	27.1	Very low	31.5	Very low	102 Å²	102	76 Å²	76	71%	0.713	42%	0.421	S	S	*	.			trans	-8.6	92.3	-173.8	-157.8	0	0	0	0	113.3	S20	S18-S20 PolarHBondContact O-N 3.09Å
19	P	30.4	Very low	31.9	Very low	45 Å²	45	76.5 Å²	76.5	29%	0.292	42%	0.416	S	S	.	.			trans	-57.8	120.9	171.3	22.6	-29	0	0	0	106.1	A15 A21 L23 V24	A15-P19 HydrophobicContact CB-CB 4Å; A15-P19 HydrophobicContact CB-CG 4.37Å; P19-A21 PolarHBondContact O-N 3.04Å; P19-L23 HydrophobicContact CB-CD2 4.26Å; P19-V24 HydrophobicContact CB-CG2 4.16Å; P19-V24 HydrophobicContact CG-CG2 4.24Å
20	S	33.3	Very low	32.1	Very low	53 Å²	53	77.2 Å²	77.2	37%	0.371	42%	0.418	S	S	.	.			trans	-49.9	132.7	169.2	63.5	0	0	0	0	106.8	S18 A22 L23	S18-S20 PolarHBondContact O-N 3.09Å; S20-A22 CarbonylContact O-C 3.58Å; S20-A22 PolarHBondContact O-N 3.23Å; S20-L23 WeakPolarHBondContact O-CB 3.18Å; S20-L23 PolarHBondContact O-N 3.36Å
21	A	29.6	Very low	32.4	Very low	77 Å²	77	71.9 Å²	71.9	64%	0.636	40%	0.4	S	S	*	.	H	α-helix	trans	-51.3	-23.5	-178.1	0	0	0	0	0	112.1	P19 T25	P19-A21 PolarHBondContact O-N 3.04Å; A21-T25 VanDerWaalsContact O-CB 3.32Å; A21-T25 WeakPolarHBondContact O-CB 3.46Å; A21-T25 PolarHBondContact O-N 3.36Å; A21-T25 PolarHBondContact O-OG1 3.12Å
22	A	29.9	Very low	32.3	Very low	66 Å²	66	74.6 Å²	74.6	55%	0.545	42%	0.42	S	S	.	.	H	α-helix	trans	-55.9	-43.8	169.6	0	0	0	0	0	113.9	S20 T25 A26	S20-A22 CarbonylContact O-C 3.58Å; S20-A22 PolarHBondContact O-N 3.23Å; A22-T25 PolarHBondContact O-N 2.91Å; A22-A26 WeakPolarHBondContact O-CB 3.13Å; A22-A26 PolarHBondContact O-N 3.03Å
23	L	34.1	Very low	32.5	Very low	32 Å²	32	81.5 Å²	81.5	17%	0.168	44%	0.443	C	S	.	.	H	α-helix	trans	-65	-45.7	-178.6	-166.8	75.6	0	0	0	111.7	P19 S20 T25 A26 L27 L45	P19-L23 HydrophobicContact CB-CD2 4.26Å; S20-L23 WeakPolarHBondContact O-CB 3.18Å; S20-L23 PolarHBondContact O-N 3.36Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-A26 PolarHBondContact O-N 2.75Å; L23-L27 PolarHBondContact O-N 3.27Å; L23-L27 VanDerWaalsContact O-N 3.09Å; L23-L45 HydrophobicContact CD1-CD2 4Å; L23-L45 HydrophobicContact CD2-CD2 4.12Å; L23-L45 HydrophobicContact CG-CD2 4.46Å
24	V	33.2	Very low	32.6	Very low	66 Å²	66	80.9 Å²	80.9	40%	0.4	44%	0.437	S	S	.	.	H	α-helix	trans	-65.8	-40.6	176.3	-179.5	0	0	0	0	110.3	P19 L27 V28	P19-V24 HydrophobicContact CB-CG2 4.16Å; P19-V24 HydrophobicContact CG-CG2 4.24Å; V24-L27 WeakPolarHBondContact O-CB 3.29Å; V24-L27 PolarHBondContact O-N 3.28Å; V24-V28 HydrophobicContact CG1-CG2 4.38Å; V24-V28 VanDerWaalsContact O-CG2 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.07Å; V24-V28 PolarHBondContact O-N 3.16Å
25	T	31.8	Very low	33	Very low	67 Å²	67	79.2 Å²	79.2	41%	0.411	44%	0.435	S	S	.	.	H	α-helix	trans	-64	-43.6	178.5	-56.7	0	0	0	0	111.6	A21 A22 L23 V28 Q29	A21-T25 VanDerWaalsContact O-CB 3.32Å; A21-T25 WeakPolarHBondContact O-CB 3.46Å; A21-T25 PolarHBondContact O-N 3.36Å; A21-T25 PolarHBondContact O-OG1 3.12Å; A22-T25 PolarHBondContact O-N 2.91Å; L23-T25 VanDerWaalsContact C-N 3.34Å; T25-V28 PolarHBondContact O-N 3.07Å; T25-Q29 HydrophobicContact CG2-CG 4.34Å; T25-Q29 WeakPolarHBondContact O-CB 3.49Å; T25-Q29 WeakPolarHBondContact O-CG 3.42Å; T25-Q29 PolarHBondContact O-N 3.03Å
26	A	33.2	Very low	33.6	Very low	36 Å²	36	83.1 Å²	83.1	30%	0.298	45%	0.45	S	S	.	.	H	α-helix	trans	-62.2	-44.1	176.6	0	0	0	0	0	111.6	A22 L23 V28 Q29 D30 L43	A22-A26 WeakPolarHBondContact O-CB 3.13Å; A22-A26 PolarHBondContact O-N 3.03Å; L23-A26 PolarHBondContact O-N 2.75Å; A26-V28 PolarHBondContact O-N 2.05Å; A26-Q29 PolarHBondContact O-N 3.44Å; A26-D30 PolarHBondContact O-N 3Å; A26-L43 HydrophobicContact CB-CD1 4.19Å
27	L	37.7	Very low	34.3	Very low	20 Å²	20	77 Å²	77	11%	0.105	43%	0.43	C	S	.	.	H	α-helix	trans	-55.9	-50.6	173.4	-99.6	154.9	0	0	0	112	C13 L23 V24 M31 L43	C13-L27 HydrophobicContact CB-CD1 3.69Å; L23-L27 PolarHBondContact O-N 3.27Å; L23-L27 VanDerWaalsContact O-N 3.09Å; V24-L27 WeakPolarHBondContact O-CB 3.29Å; V24-L27 PolarHBondContact O-N 3.28Å; L27-M31 VanDerWaalsContact O-CB 3.23Å; L27-M31 WeakPolarHBondContact O-CB 3.34Å; L27-M31 WeakPolarHBondContact O-CG 3.06Å; L27-M31 PolarHBondContact O-N 3.4Å; L27-L43 HydrophobicContact CD1-CD2 3.61Å; L27-L43 HydrophobicContact CD2-CD2 3.9Å; L27-L43 HydrophobicContact CG-CD1 3.85Å; L27-L43 HydrophobicContact CG-CD2 3.53Å; L27-L43 HydrophobicContact CG-CG 4.29Å
28	V	36.4	Very low	34.9	Very low	84 Å²	84	73.7 Å²	73.7	51%	0.509	43%	0.427	S	S	.	.	H	α-helix	trans	-66.2	-40.3	-178.7	173.1	0	0	0	0	111.2	V24 T25 A26 S32	V24-V28 HydrophobicContact CG1-CG2 4.38Å; V24-V28 VanDerWaalsContact O-CG2 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.07Å; V24-V28 PolarHBondContact O-N 3.16Å; T25-V28 PolarHBondContact O-N 3.07Å; A26-V28 PolarHBondContact O-N 2.05Å; V28-S32 WeakPolarHBondContact O-CB 3.42Å; V28-S32 PolarHBondContact O-N 3.17Å
29	Q	36.4	Very low	35.3	Very low	117 Å²	117	69.8 Å²	69.8	55%	0.547	40%	0.402	S	S	.	.	H	α-helix	trans	-66.5	-45.9	179.3	-76.8	-178.2	-8.5	0	0	111.8	T25 A26 S32 R33	T25-Q29 HydrophobicContact CG2-CG 4.34Å; T25-Q29 WeakPolarHBondContact O-CB 3.49Å; T25-Q29 WeakPolarHBondContact O-CG 3.42Å; T25-Q29 PolarHBondContact O-N 3.03Å; A26-Q29 PolarHBondContact O-N 3.44Å; Q29-S32 PolarHBondContact O-N 3.23Å; Q29-S32 PolarHBondContact O-OG 3.06Å; Q29-R33 PolarHBondContact O-N 3.28Å
30	D	36.6	Very low	35.6	Very low	50 Å²	50	72 Å²	72	27%	0.267	42%	0.418	S	S	.	.	H	α-helix	trans	-72.7	-34.8	179.2	-79.5	-17.1	0	0	0	112.1	A26 S32 R33 M34	A26-D30 PolarHBondContact O-N 3Å; D30-S32 VanDerWaalsContact C-N 3.3Å; D30-S32 PolarHBondContact O-N 3.35Å; D30-R33 WeakPolarHBondContact O-CB 3.33Å; D30-R33 PolarHBondContact O-N 2.9Å; D30-R33 VanDerWaalsContact O-N 3.17Å; D30-R33 IonicContact OD1-NH1 3.84Å; D30-M34 PolarHBondContact O-N 2.64Å
31	M	37.6	Very low	35.9	Very low	36 Å²	36	70.2 Å²	70.2	18%	0.177	41%	0.408	C	S	.	.	H	α-helix	trans	-63.6	-35.9	170.4	-74.4	-162.1	-65.7	0	0	112.4	I11 L27 R33 M34	I11-M31 HydrophobicContact CB-CE 4.4Å; I11-M31 HydrophobicContact CB-SD 3.65Å; I11-M31 HydrophobicContact CD1-SD 4.09Å; I11-M31 HydrophobicContact CG1-SD 3.87Å; I11-M31 WeakPolarHBondContact O-CE 3.45Å; L27-M31 VanDerWaalsContact O-CB 3.23Å; L27-M31 WeakPolarHBondContact O-CB 3.34Å; L27-M31 WeakPolarHBondContact O-CG 3.06Å; L27-M31 PolarHBondContact O-N 3.4Å; M31-R33 PolarHBondContact O-N 2.9Å; M31-M34 HydrophobicContact CB-CE 4.11Å; M31-M34 HydrophobicContact CG-CE 3.52Å; M31-M34 WeakPolarHBondContact O-CA 3.34Å; M31-M34 WeakPolarHBondContact O-CB 3.38Å; M31-M34 PolarHBondContact O-N 3.09Å
32	S	36.6	Very low	36.2	Very low	68 Å²	68	70.5 Å²	70.5	48%	0.476	41%	0.405	S	S	.	.	H	α-helix	trans	-64.4	-30.3	175.5	77.8	0	0	0	0	112.3	V28 Q29 D30 N35	V28-S32 WeakPolarHBondContact O-CB 3.42Å; V28-S32 PolarHBondContact O-N 3.17Å; Q29-S32 PolarHBondContact O-N 3.23Å; Q29-S32 PolarHBondContact O-OG 3.06Å; D30-S32 VanDerWaalsContact C-N 3.3Å; D30-S32 PolarHBondContact O-N 3.35Å; S32-N35 PolarHBondContact O-ND2 3.45Å
33	R	34.4	Very low	36.8	Very low	191 Å²	191	68.1 Å²	68.1	72%	0.721	38%	0.383	S	S	*	.	H	α-helix	trans	-74.5	-25.7	171.1	-66.7	175.9	172.9	179	-3.4	112.7	Q29 D30 M31 N35	Q29-R33 PolarHBondContact O-N 3.28Å; D30-R33 WeakPolarHBondContact O-CB 3.33Å; D30-R33 PolarHBondContact O-N 2.9Å; D30-R33 VanDerWaalsContact O-N 3.17Å; D30-R33 IonicContact OD1-NH1 3.84Å; M31-R33 PolarHBondContact O-N 2.9Å; R33-N35 PolarHBondContact O-N 2.94Å
34	M	35.6	Very low	36.8	Very low	20 Å²	20	70.9 Å²	70.9	10%	0.099	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	9.7	173.8	-69.9	-166.6	-70.5	0	0	114.4	D30 M31 D36 L62	D30-M34 PolarHBondContact O-N 2.64Å; M31-M34 HydrophobicContact CB-CE 4.11Å; M31-M34 HydrophobicContact CG-CE 3.52Å; M31-M34 WeakPolarHBondContact O-CA 3.34Å; M31-M34 WeakPolarHBondContact O-CB 3.38Å; M31-M34 PolarHBondContact O-N 3.09Å; M34-D36 CarbonylContact O-C 3.56Å; M34-D36 PolarHBondContact O-N 2.88Å; M34-L62 HydrophobicContact CB-CD1 4.2Å; M34-L62 HydrophobicContact CE-CD1 4.36Å; M34-L62 HydrophobicContact SD-CD1 4Å; M34-L62 HydrophobicContact SD-CG 4.11Å
35	N	38.7	Very low	37.1	Very low	120 Å²	120	69.2 Å²	69.2	64%	0.642	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-21.5	165.4	-86.5	-21.5	0	0	0	112.3	S32 R33 I37	S32-N35 PolarHBondContact O-ND2 3.45Å; R33-N35 PolarHBondContact O-N 2.94Å; N35-I37 PolarHBondContact O-N 2.89Å
36	D	38.5	Very low	37.2	Very low	125 Å²	125	69 Å²	69	67%	0.668	39%	0.392	S	S	*	.	S	Bend	trans	-75.8	110.4	162.7	-78.2	-30	0	0	0	110.6	M34 N38 G39	M34-D36 CarbonylContact O-C 3.56Å; M34-D36 PolarHBondContact O-N 2.88Å; D36-N38 PolarHBondContact O-N 2.96Å; D36-G39 PolarHBondContact O-N 2.87Å
37	I	42.7	Very low	37.2	Very low	53 Å²	53	68.8 Å²	68.8	27%	0.272	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	14.1	-177.8	-69.6	171.6	0	0	0	114	N35 K64	N35-I37 PolarHBondContact O-N 2.89Å; I37-K64 HydrophobicContact CG2-CB 3.65Å; I37-K64 HydrophobicContact CG2-CD 4Å; I37-K64 HydrophobicContact CG2-CG 3.96Å; I37-K64 PolarHBondContact O-N 3.02Å
38	N	39.5	Very low	37.2	Very low	120 Å²	120	73.4 Å²	73.4	64%	0.642	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	21.4	169.7	-68.8	-51.6	0	0	0	112.9	D36 L62	D36-N38 PolarHBondContact O-N 2.96Å; N38-L62 WeakPolarHBondContact CA-O 3.48Å
39	G	35	Very low	37.2	Very low	19 Å²	19	75.1 Å²	75.1	20%	0.196	42%	0.419	C	S	.	.			trans	-82.1	146.7	179.1	0	0	0	0	0	113.5	D36 L62	D36-G39 PolarHBondContact O-N 2.87Å; G39-L62 PolarHBondContact O-N 3.01Å
40	C	36.2	Very low	37.1	Very low	92 Å²	92	73.1 Å²	73.1	62%	0.622	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.7	162.1	-69.7	0	0	0	0	108.5	V60 C61	C40-V60 WeakPolarHBondContact CA-O 3.46Å; C40-C61 HydrophobicContact CB-CB 4.15Å; C40-C61 WeakPolarHBondContact CB-SG 3.4Å; C40-C61 WeakPolarHBondContact SG-CB 3.46Å; C40-C61 CovalentContact SG-SG 2.05Å; C40-C61 PolarHBondContact SG-SG 3.03Å
41	G	39.4	Very low	37.2	Very low	16 Å²	16	76 Å²	76	17%	0.165	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	152.8	167	0	0	0	0	0	110.4	A59 V60	G41-A59 CarbonylContact O-C 3.59Å; G41-A59 WeakPolarHBondContact O-CA 3.13Å; G41-V60 PolarHBondContact N-O 2.93Å; G41-V60 PolarHBondContact O-N 3Å
42	S	37.5	Very low	37.1	Very low	83 Å²	83	77.1 Å²	77.1	58%	0.58	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.8	171.5	59.9	0	0	0	0	109.6	L58	S42-L58 CarbonylContact C-O 3.56Å; S42-L58 WeakPolarHBondContact CA-O 3.45Å
43	L	41	Very low	37	Very low	16 Å²	16	75.5 Å²	75.5	8%	0.084	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.4	174.8	-172.1	73.6	0	0	0	109.2	A26 L27 L45 L58	A26-L43 HydrophobicContact CB-CD1 4.19Å; L27-L43 HydrophobicContact CD1-CD2 3.61Å; L27-L43 HydrophobicContact CD2-CD2 3.9Å; L27-L43 HydrophobicContact CG-CD1 3.85Å; L27-L43 HydrophobicContact CG-CD2 3.53Å; L27-L43 HydrophobicContact CG-CG 4.29Å; L43-L45 HydrophobicContact CD2-CD2 3.43Å; L43-L45 VanDerWaalsContact CD2-CD2 3.43Å; L43-L45 HydrophobicContact CD2-CG 4.18Å; L43-L45 HydrophobicContact CG-CD2 4.11Å; L43-L58 HydrophobicContact CB-CB 4.38Å; L43-L58 HydrophobicContact CD2-CD2 4.39Å; L43-L58 PolarHBondContact N-O 3.05Å; L43-L58 PolarHBondContact O-N 2.65Å
44	L	34.2	Very low	37	Very low	89 Å²	89	74.5 Å²	74.5	47%	0.466	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.2	168.8	-173.5	74.1	0	0	0	108.2	D57	L44-D57 WeakPolarHBondContact CD1-OD1 3.4Å
45	L	39.7	Very low	37.1	Very low	31 Å²	31	76.4 Å²	76.4	16%	0.162	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	110.4	173.6	-61.5	172	0	0	0	108.3	L23 L43 I55 L58	L23-L45 HydrophobicContact CD1-CD2 4Å; L23-L45 HydrophobicContact CD2-CD2 4.12Å; L23-L45 HydrophobicContact CG-CD2 4.46Å; L43-L45 HydrophobicContact CD2-CD2 3.43Å; L43-L45 VanDerWaalsContact CD2-CD2 3.43Å; L43-L45 HydrophobicContact CD2-CG 4.18Å; L43-L45 HydrophobicContact CG-CD2 4.11Å; L45-I55 VanDerWaalsContact CB-O 3.28Å; L45-I55 WeakPolarHBondContact CB-O 3.32Å; L45-I55 CarbonylContact O-C 3.24Å; L45-I55 VanDerWaalsContact O-C 3.24Å; L45-I55 WeakPolarHBondContact O-CA 3.43Å; L45-I55 PolarHBondContact O-N 3.27Å; L45-I55 VanDerWaalsContact O-O 3.07Å; L45-L58 HydrophobicContact CD1-CB 4.26Å; L45-L58 HydrophobicContact CD1-CD2 4.44Å; L45-L58 HydrophobicContact CG-CB 4.5Å
46	A	34	Very low	37.2	Very low	64 Å²	64	71.5 Å²	71.5	53%	0.529	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.7	169.7	0	0	0	0	0	109.5
47	S	34	Very low	37.2	Very low	31 Å²	31	68.7 Å²	68.7	22%	0.217	41%	0.405	C	S	.	.			trans	-83.4	133.5	168.8	-159.8	0	0	0	0	109.9	D49 D50 I55	S47-D49 VanDerWaalsContact C-N 3.27Å; S47-D50 CarbonylContact O-C 3.46Å; S47-I55 VanDerWaalsContact CB-CD1 3.47Å
48	D	36.9	Very low	37.1	Very low	117 Å²	117	66.3 Å²	66.3	63%	0.626	39%	0.393	S	S	*	.	S	Bend	trans	-68.4	-29.8	169.5	-74	-22.6	0	0	0	111.6	D50	D48-D50 VanDerWaalsContact C-N 3.33Å; D48-D50 PolarHBondContact O-N 3.36Å
49	D	36.5	Very low	37.2	Very low	120 Å²	120	61.9 Å²	61.9	64%	0.642	37%	0.373	S	S	*	.	S	Bend	trans	-77	-18.3	-176.5	-74.8	-30	0	0	0	112.8	R17 S47	R17-D49 IonicContact NH1-OD2 3.29Å; R17-D49 PolarHBondContact NH1-OD2 2.8Å; S47-D49 VanDerWaalsContact C-N 3.27Å
50	D	35.2	Very low	37.7	Very low	75 Å²	75	61.6 Å²	61.6	40%	0.401	37%	0.368	S	S	.	.			trans	-153.3	97.4	173.5	-178.8	-0.2	0	0	0	110.2	S47 D48 A52 A53	S47-D50 CarbonylContact O-C 3.46Å; D48-D50 VanDerWaalsContact C-N 3.33Å; D48-D50 PolarHBondContact O-N 3.36Å; D50-A52 PolarHBondContact O-N 2.88Å; D50-A52 VanDerWaalsContact O-N 3.11Å; D50-A52 WeakPolarHBondContact OD1-CA 3.23Å; D50-A52 VanDerWaalsContact OD1-CB 3.23Å; D50-A52 WeakPolarHBondContact OD1-CB 3.43Å; D50-A52 PolarHBondContact OD1-N 3.48Å; D50-A53 HydrophobicContact CB-CB 3.71Å; D50-A53 VanDerWaalsContact CG-N 3.31Å; D50-A53 CarbonylContact O-C 3.52Å; D50-A53 WeakPolarHBondContact O-CA 3.41Å; D50-A53 WeakPolarHBondContact O-CB 3.31Å; D50-A53 PolarHBondContact O-N 2.95Å; D50-A53 PolarHBondContact OD1-N 3.37Å; D50-A53 WeakPolarHBondContact OD2-CB 3.2Å; D50-A53 PolarHBondContact OD2-N 3.09Å
51	P	38.2	Very low	37.9	Very low	109 Å²	109	58.9 Å²	58.9	71%	0.708	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.8	177.6	19.6	-26.9	0	0	0	113.4
52	A	35.6	Very low	38	Very low	61 Å²	61	59 Å²	59	50%	0.504	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-25.4	171.5	0	0	0	0	0	112.6	D50 R54	D50-A52 PolarHBondContact O-N 2.88Å; D50-A52 VanDerWaalsContact O-N 3.11Å; D50-A52 WeakPolarHBondContact OD1-CA 3.23Å; D50-A52 VanDerWaalsContact OD1-CB 3.23Å; D50-A52 WeakPolarHBondContact OD1-CB 3.43Å; D50-A52 PolarHBondContact OD1-N 3.48Å; A52-R54 PolarHBondContact O-N 3.33Å
53	A	34	Very low	38	Very low	33 Å²	33	63.5 Å²	63.5	27%	0.273	35%	0.35	S	S	.	.			trans	-75.8	76.6	165.3	0	0	0	0	0	109.3	D50 I55	D50-A53 HydrophobicContact CB-CB 3.71Å; D50-A53 VanDerWaalsContact CG-N 3.31Å; D50-A53 CarbonylContact O-C 3.52Å; D50-A53 WeakPolarHBondContact O-CA 3.41Å; D50-A53 WeakPolarHBondContact O-CB 3.31Å; D50-A53 PolarHBondContact O-N 2.95Å; D50-A53 PolarHBondContact OD1-N 3.37Å; D50-A53 WeakPolarHBondContact OD2-CB 3.2Å; D50-A53 PolarHBondContact OD2-N 3.09Å; A53-I55 VanDerWaalsContact C-N 3.27Å; A53-I55 HydrophobicContact CB-CG1 4.35Å; A53-I55 WeakPolarHBondContact O-CG1 3.25Å; A53-I55 PolarHBondContact O-N 3.48Å
54	R	35.1	Very low	38.1	Very low	171 Å²	171	67.9 Å²	67.9	65%	0.645	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	95	162.5	-66.3	-174.4	-179.5	-173	-1.1	107.1	A52 S56	A52-R54 PolarHBondContact O-N 3.33Å; R54-S56 PolarHBondContact O-N 2.87Å
55	I	38.2	Very low	38.3	Very low	60 Å²	60	64.7 Å²	64.7	31%	0.308	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	74.2	-176.3	-55	-173.2	0	0	0	108.3	L45 S47 A53	L45-I55 VanDerWaalsContact CB-O 3.28Å; L45-I55 WeakPolarHBondContact CB-O 3.32Å; L45-I55 CarbonylContact O-C 3.24Å; L45-I55 VanDerWaalsContact O-C 3.24Å; L45-I55 WeakPolarHBondContact O-CA 3.43Å; L45-I55 PolarHBondContact O-N 3.27Å; L45-I55 VanDerWaalsContact O-O 3.07Å; S47-I55 VanDerWaalsContact CB-CD1 3.47Å; A53-I55 VanDerWaalsContact C-N 3.27Å; A53-I55 HydrophobicContact CB-CG1 4.35Å; A53-I55 WeakPolarHBondContact O-CG1 3.25Å; A53-I55 PolarHBondContact O-N 3.48Å
56	S	39.8	Very low	37.8	Very low	16 Å²	16	67.3 Å²	67.3	11%	0.112	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.4	127.8	160	-35.3	0	0	0	0	116.8	R54 L58 K83 R84	R54-S56 PolarHBondContact O-N 2.87Å; S56-L58 PolarHBondContact O-N 2.78Å; S56-K83 WeakPolarHBondContact CA-O 3.48Å; S56-K83 WeakPolarHBondContact CB-O 3.44Å; S56-K83 PolarHBondContact OG-O 3.21Å; S56-R84 WeakPolarHBondContact OG-CA 3.43Å
57	D	37.9	Very low	37.7	Very low	66 Å²	66	67.1 Å²	67.1	35%	0.353	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	118.5	163.9	-59.9	-37.4	0	0	0	107.5	L44 I81 K83	L44-D57 WeakPolarHBondContact CD1-OD1 3.4Å; D57-I81 VanDerWaalsContact O-O 3.13Å; D57-K83 HydrophobicContact CB-CB 4.44Å; D57-K83 PolarHBondContact O-N 3.3Å
58	L	42	Very low	37.4	Very low	3 Å²	3	69.6 Å²	69.6	2%	0.016	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	100.7	169.8	178	68.1	0	0	0	108.2	S42 L43 L45 S56 V60 M80 F82 I113	S42-L58 CarbonylContact C-O 3.56Å; S42-L58 WeakPolarHBondContact CA-O 3.45Å; L43-L58 HydrophobicContact CB-CB 4.38Å; L43-L58 HydrophobicContact CD2-CD2 4.39Å; L43-L58 PolarHBondContact N-O 3.05Å; L43-L58 PolarHBondContact O-N 2.65Å; L45-L58 HydrophobicContact CD1-CB 4.26Å; L45-L58 HydrophobicContact CD1-CD2 4.44Å; L45-L58 HydrophobicContact CG-CB 4.5Å; S56-L58 PolarHBondContact O-N 2.78Å; L58-V60 HydrophobicContact CD2-CG2 4.23Å; L58-V60 HydrophobicContact CG-CG2 4.11Å; L58-M80 HydrophobicContact CD1-CB 4.31Å; L58-M80 HydrophobicContact CD1-CE 3.56Å; L58-M80 HydrophobicContact CD2-CE 3.95Å; L58-M80 HydrophobicContact CG-CE 4.24Å; L58-F82 HydrophobicContact CD1-CD1 3.78Å; L58-F82 HydrophobicContact CD1-CE1 3.45Å; L58-F82 VanDerWaalsContact CD1-CE1 3.45Å; L58-F82 HydrophobicContact CD1-CE2 4.38Å; L58-F82 HydrophobicContact CD1-CG 4.39Å; L58-F82 HydrophobicContact CD1-CZ 3.79Å; L58-I113 HydrophobicContact CD1-CD1 4.49Å; L58-I113 HydrophobicContact CD2-CD1 3.71Å
59	A	39.9	Very low	36.9	Very low	28 Å²	28	66.9 Å²	66.9	23%	0.231	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.6	169.7	0	0	0	0	0	109.8	G41 M80 I81	G41-A59 CarbonylContact O-C 3.59Å; G41-A59 WeakPolarHBondContact O-CA 3.13Å; A59-M80 WeakPolarHBondContact O-CA 3.42Å; A59-I81 HydrophobicContact CB-CB 4.43Å; A59-I81 PolarHBondContact N-O 2.93Å; A59-I81 PolarHBondContact O-N 3.18Å
60	V	47.1	Very low	36.7	Very low	13 Å²	13	70.2 Å²	70.2	8%	0.079	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.1	173.6	-176.1	0	0	0	0	108	I11 C40 G41 L58 L62 I78 M80	I11-V60 HydrophobicContact CD1-CG1 4.15Å; C40-V60 WeakPolarHBondContact CA-O 3.46Å; G41-V60 PolarHBondContact N-O 2.93Å; G41-V60 PolarHBondContact O-N 3Å; L58-V60 HydrophobicContact CD2-CG2 4.23Å; L58-V60 HydrophobicContact CG-CG2 4.11Å; V60-L62 HydrophobicContact CG1-CD2 4.43Å; V60-I78 HydrophobicContact CG1-CG2 3.92Å; V60-M80 HydrophobicContact CG2-CE 4.36Å
61	C	40	Very low	36.5	Very low	35 Å²	35	75.1 Å²	75.1	24%	0.236	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.9	172.9	-70.7	0	0	0	0	110	C40 S79	C40-C61 HydrophobicContact CB-CB 4.15Å; C40-C61 WeakPolarHBondContact CB-SG 3.4Å; C40-C61 WeakPolarHBondContact SG-CB 3.46Å; C40-C61 CovalentContact SG-SG 2.05Å; C40-C61 PolarHBondContact SG-SG 3.03Å; C61-S79 PolarHBondContact N-O 2.68Å; C61-S79 PolarHBondContact O-N 2.77Å; C61-S79 VanDerWaalsContact O-N 3.09Å
62	L	41.7	Very low	36	Very low	17 Å²	17	77.8 Å²	77.8	9%	0.089	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.4	172.6	-60.9	-179.9	0	0	0	108.4	M34 N38 G39 V60 L76 I78	M34-L62 HydrophobicContact CB-CD1 4.2Å; M34-L62 HydrophobicContact CE-CD1 4.36Å; M34-L62 HydrophobicContact SD-CD1 4Å; M34-L62 HydrophobicContact SD-CG 4.11Å; N38-L62 WeakPolarHBondContact CA-O 3.48Å; G39-L62 PolarHBondContact O-N 3.01Å; V60-L62 HydrophobicContact CG1-CD2 4.43Å; L62-L76 HydrophobicContact CD2-CD2 4.38Å; L62-I78 HydrophobicContact CD2-CB 4.25Å; L62-I78 HydrophobicContact CD2-CD1 3.49Å; L62-I78 VanDerWaalsContact CD2-CD1 3.49Å; L62-I78 HydrophobicContact CD2-CG1 3.52Å; L62-I78 HydrophobicContact CD2-CG2 4.11Å
63	R	37.3	Very low	35.9	Very low	179 Å²	179	77.7 Å²	77.7	68%	0.675	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.9	176.4	-152.3	177	-175.5	-179.8	1.4	110.4	G65 T77	R63-G65 PolarHBondContact O-N 3.34Å; R63-T77 PolarHBondContact N-O 3.2Å; R63-T77 VanDerWaalsContact N-O 3.12Å; R63-T77 PolarHBondContact O-N 3.33Å
64	K	41.9	Very low	36	Very low	107 Å²	107	78.1 Å²	78.1	47%	0.465	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	120.1	166.5	-148.2	170.1	176.7	175.5	0	108.7	I37 G66 S74	I37-K64 HydrophobicContact CG2-CB 3.65Å; I37-K64 HydrophobicContact CG2-CD 4Å; I37-K64 HydrophobicContact CG2-CG 3.96Å; I37-K64 PolarHBondContact O-N 3.02Å; K64-G66 PolarHBondContact O-N 3.06Å; K64-S74 VanDerWaalsContact CE-CB 3.5Å; K64-S74 WeakPolarHBondContact CE-OG 3.29Å
65	G	38.3	Very low	36.1	Very low	22 Å²	22	70.9 Å²	70.9	23%	0.227	44%	0.438	C	S	.	.			trans	-61.6	117.8	167.3	0	0	0	0	0	109.1	R63 G67 A75	R63-G65 PolarHBondContact O-N 3.34Å; G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 3.44Å; G65-A75 WeakPolarHBondContact CA-O 3.36Å; G65-A75 PolarHBondContact N-O 3.27Å
66	G	31.1	Very low	36	Very low	87 Å²	87	68.6 Å²	68.6	90%	0.897	43%	0.426	S	S	*	.			trans	-71.1	84.9	170.7	0	0	0	0	0	109.6	K64	K64-G66 PolarHBondContact O-N 3.06Å
67	G	31.9	Very low	35.9	Very low	60 Å²	60	69.8 Å²	69.8	62%	0.619	43%	0.433	S	S	*	.			trans	-87.4	106.2	171	0	0	0	0	0	109.6	G65	G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 3.44Å
68	G	27.1	Very low	36.1	Very low	82 Å²	82	66.7 Å²	66.7	85%	0.845	42%	0.417	S	S	*	.			trans	-60.7	137.9	164.7	0	0	0	0	0	110.1
69	G	26.8	Very low	36	Very low	61 Å²	61	68 Å²	68	63%	0.629	43%	0.426	S	S	*	.	S	Bend	trans	94.4	123.8	175.3	0	0	0	0	0	113.8	Q71	G69-Q71 PolarHBondContact O-N 2.75Å
70	L	30.6	Very low	36.1	Very low	189 Å²	189	66.8 Å²	66.8	99%	0.99	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	23.1	-172.5	-88.7	152.4	0	0	0	117.4
71	Q	31.2	Very low	35.6	Very low	178 Å²	178	68.7 Å²	68.7	83%	0.832	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	-5.5	-173.8	-71.4	-169.8	-2.7	0	0	116.9	G69	G69-Q71 PolarHBondContact O-N 2.75Å
72	H	29	Very low	35.5	Very low	165 Å²	165	68.9 Å²	68.9	76%	0.764	42%	0.422	S	S	*	.	S	Bend	trans	-114.9	126.9	174.7	-81.1	-71.8	0	0	0	112.5	S74	H72-S74 PolarHBondContact O-N 2.84Å
73	P	33	Very low	35.2	Very low	59 Å²	59	71.1 Å²	71.1	38%	0.383	43%	0.431	S	S	.	.			trans	-52.6	130.8	168.5	12.4	-18.4	0	0	0	108.7	A75 L104 E105	P73-A75 PolarHBondContact O-N 3.19Å; P73-L104 WeakPolarHBondContact CG-O 3.4Å; P73-E105 HydrophobicContact CB-CG 4.16Å; P73-E105 HydrophobicContact CG-CG 3.47Å; P73-E105 VanDerWaalsContact CG-CG 3.47Å
74	S	35.6	Very low	35.2	Very low	43 Å²	43	70 Å²	70	30%	0.301	43%	0.427	S	S	.	.			trans	-54.5	109	-172.8	-51	0	0	0	0	109.5	K64 H72 L76	K64-S74 VanDerWaalsContact CE-CB 3.5Å; K64-S74 WeakPolarHBondContact CE-OG 3.29Å; H72-S74 PolarHBondContact O-N 2.84Å; S74-L76 PolarHBondContact O-N 2.99Å; S74-L76 VanDerWaalsContact O-N 3.16Å
75	A	37	Very low	34.7	Very low	18 Å²	18	70.3 Å²	70.3	15%	0.149	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-64.2	117.8	-176.9	0	0	0	0	0	109	G65 P73 Q102 C103	G65-A75 WeakPolarHBondContact CA-O 3.36Å; G65-A75 PolarHBondContact N-O 3.27Å; P73-A75 PolarHBondContact O-N 3.19Å; A75-Q102 HydrophobicContact CB-CG 3.95Å; A75-C103 VanDerWaalsContact CA-O 3.29Å; A75-C103 WeakPolarHBondContact CA-O 3.47Å
76	L	36.1	Very low	34.4	Very low	12 Å²	12	71.5 Å²	71.5	6%	0.063	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.5	176.1	-175.1	77	0	0	0	108.1	V9 L62 S74 I78 Q102 C103 I109	V9-L76 HydrophobicContact CG2-CD2 3.59Å; L62-L76 HydrophobicContact CD2-CD2 4.38Å; S74-L76 PolarHBondContact O-N 2.99Å; S74-L76 VanDerWaalsContact O-N 3.16Å; L76-I78 HydrophobicContact CD2-CD1 4.21Å; L76-I78 HydrophobicContact CD2-CG1 4.15Å; L76-I78 HydrophobicContact CG-CG1 4.4Å; L76-Q102 WeakPolarHBondContact O-CA 3.14Å; L76-C103 HydrophobicContact CB-CB 4.36Å; L76-C103 PolarHBondContact N-O 2.89Å; L76-C103 PolarHBondContact O-N 2.92Å; L76-I109 HydrophobicContact CD2-CD1 4.47Å
77	T	38.4	Very low	34.5	Very low	42 Å²	42	77.9 Å²	77.9	26%	0.258	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.3	172.5	-55.3	0	0	0	0	109.2	R63 L101	R63-T77 PolarHBondContact N-O 3.2Å; R63-T77 VanDerWaalsContact N-O 3.12Å; R63-T77 PolarHBondContact O-N 3.33Å; T77-L101 WeakPolarHBondContact CA-O 3.15Å
78	I	41.3	Very low	34.7	Very low	0 Å²	0	78.1 Å²	78.1	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.3	170.7	-51.1	-160.3	0	0	0	107.8	V9 V60 L62 L76 M80 R100 L101 I109	V9-I78 HydrophobicContact CG1-CD1 4.3Å; V60-I78 HydrophobicContact CG1-CG2 3.92Å; L62-I78 HydrophobicContact CD2-CB 4.25Å; L62-I78 HydrophobicContact CD2-CD1 3.49Å; L62-I78 VanDerWaalsContact CD2-CD1 3.49Å; L62-I78 HydrophobicContact CD2-CG1 3.52Å; L62-I78 HydrophobicContact CD2-CG2 4.11Å; L76-I78 HydrophobicContact CD2-CD1 4.21Å; L76-I78 HydrophobicContact CD2-CG1 4.15Å; L76-I78 HydrophobicContact CG-CG1 4.4Å; I78-M80 HydrophobicContact CG2-CG 4.14Å; I78-R100 WeakPolarHBondContact O-CA 3.49Å; I78-L101 HydrophobicContact CB-CB 4.37Å; I78-L101 PolarHBondContact N-O 3.21Å; I78-L101 PolarHBondContact O-N 2.96Å; I78-I109 HydrophobicContact CD1-CD1 3.21Å; I78-I109 HydrophobicContact CD1-CG1 4.49Å; I78-I109 HydrophobicContact CG1-CD1 4.06Å
79	S	40	Very low	35	Very low	31 Å²	31	77.9 Å²	77.9	22%	0.217	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.7	170.9	-61.5	0	0	0	0	108.9	C61 L99	C61-S79 PolarHBondContact N-O 2.68Å; C61-S79 PolarHBondContact O-N 2.77Å; C61-S79 VanDerWaalsContact O-N 3.09Å; S79-L99 WeakPolarHBondContact CA-O 3.02Å
80	M	41.8	Very low	35.3	Very low	3 Å²	3	83.3 Å²	83.3	2%	0.015	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.1	172.8	-59.5	-179.6	83	0	0	108.8	L58 A59 V60 I78 F82 T98 L99 I111 I113	L58-M80 HydrophobicContact CD1-CB 4.31Å; L58-M80 HydrophobicContact CD1-CE 3.56Å; L58-M80 HydrophobicContact CD2-CE 3.95Å; L58-M80 HydrophobicContact CG-CE 4.24Å; A59-M80 WeakPolarHBondContact O-CA 3.42Å; V60-M80 HydrophobicContact CG2-CE 4.36Å; I78-M80 HydrophobicContact CG2-CG 4.14Å; M80-F82 HydrophobicContact CB-CE2 3.86Å; M80-F82 HydrophobicContact CB-CZ 4.28Å; M80-F82 HydrophobicContact CE-CZ 3.93Å; M80-F82 HydrophobicContact SD-CZ 4.34Å; M80-T98 WeakPolarHBondContact O-CA 3.47Å; M80-L99 HydrophobicContact CB-CB 4.5Å; M80-L99 PolarHBondContact N-O 3.5Å; M80-L99 PolarHBondContact O-N 2.85Å; M80-I111 HydrophobicContact CE-CD1 4.1Å; M80-I111 HydrophobicContact CE-CG2 3.69Å; M80-I111 HydrophobicContact SD-CD1 3.47Å; M80-I111 WeakPolarHBondContact SD-CD1 3.32Å; M80-I111 HydrophobicContact SD-CG1 4.44Å; M80-I111 HydrophobicContact SD-CG2 3.59Å; M80-I111 VanDerWaalsContact SD-CG2 3.59Å; M80-I113 HydrophobicContact CE-CD1 4.14Å
81	I	36.8	Very low	35.2	Very low	53 Å²	53	82.2 Å²	82.2	27%	0.272	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.8	175.4	-55.3	174.9	0	0	0	107.5	D57 A59 K83	D57-I81 VanDerWaalsContact O-O 3.13Å; A59-I81 HydrophobicContact CB-CB 4.43Å; A59-I81 PolarHBondContact N-O 2.93Å; A59-I81 PolarHBondContact O-N 3.18Å; I81-K83 HydrophobicContact CG2-CG 4.38Å
82	F	39.3	Very low	35.2	Very low	38 Å²	38	77.1 Å²	77.1	17%	0.167	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.3	173.4	-60.7	-91.8	0	0	0	108.8	L58 M80 E97 I113	L58-F82 HydrophobicContact CD1-CD1 3.78Å; L58-F82 HydrophobicContact CD1-CE1 3.45Å; L58-F82 VanDerWaalsContact CD1-CE1 3.45Å; L58-F82 HydrophobicContact CD1-CE2 4.38Å; L58-F82 HydrophobicContact CD1-CG 4.39Å; L58-F82 HydrophobicContact CD1-CZ 3.79Å; M80-F82 HydrophobicContact CB-CE2 3.86Å; M80-F82 HydrophobicContact CB-CZ 4.28Å; M80-F82 HydrophobicContact CE-CZ 3.93Å; M80-F82 HydrophobicContact SD-CZ 4.34Å; F82-E97 PolarHBondContact N-O 3.01Å; F82-I113 HydrophobicContact CE1-CD1 3.98Å; F82-I113 HydrophobicContact CE1-CG1 4.16Å; F82-I113 HydrophobicContact CE1-CG2 4.1Å; F82-I113 HydrophobicContact CZ-CD1 4.4Å; F82-I113 HydrophobicContact CZ-CG1 4.36Å
83	K	33.9	Very low	35.2	Very low	65 Å²	65	73 Å²	73	28%	0.283	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	94.5	172.4	-75.1	-175	-179.1	175.9	0	111.2	S56 D57 I81 H85 E96	S56-K83 WeakPolarHBondContact CA-O 3.48Å; S56-K83 WeakPolarHBondContact CB-O 3.44Å; S56-K83 PolarHBondContact OG-O 3.21Å; D57-K83 HydrophobicContact CB-CB 4.44Å; D57-K83 PolarHBondContact O-N 3.3Å; I81-K83 HydrophobicContact CG2-CG 4.38Å; K83-H85 PolarHBondContact O-N 3.47Å; K83-E96 VanDerWaalsContact CE-OE1 3.25Å; K83-E96 WeakPolarHBondContact CE-OE1 3.41Å; K83-E96 HydrophobicContact CG-CG 4.35Å
84	R	37.3	Very low	35.1	Very low	155 Å²	155	78.4 Å²	78.4	59%	0.585	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	109.2	178	-166.1	-178.9	178	-178.6	-2.7	110.8	S56 V86	S56-R84 WeakPolarHBondContact OG-CA 3.43Å; R84-V86 HydrophobicContact CG-CG2 3.75Å; R84-V86 PolarHBondContact O-N 3.39Å
85	H	32.3	Very low	34.9	Very low	113 Å²	113	81.2 Å²	81.2	52%	0.523	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	90.2	168.1	-83.6	-83.5	0	0	0	109.8	K83 R87	K83-H85 PolarHBondContact O-N 3.47Å; H85-R87 PolarHBondContact O-N 3.41Å
86	V	32.9	Very low	34.6	Very low	47 Å²	47	84.8 Å²	84.8	29%	0.285	43%	0.43	S	S	.	.			trans	-79.9	103.6	169.8	-172.6	0	0	0	0	107.9	R84 S88	R84-V86 HydrophobicContact CG-CG2 3.75Å; R84-V86 PolarHBondContact O-N 3.39Å; V86-S88 PolarHBondContact O-N 3.26Å
87	R	32.7	Very low	34.5	Very low	222 Å²	222	90.1 Å²	90.1	84%	0.838	46%	0.455	S	S	*	.			trans	-76.8	65.7	164.1	-83.1	-172.5	173.1	-173.2	-1.3	109.3	H85	H85-R87 PolarHBondContact O-N 3.41Å
88	S	35.6	Very low	34.2	Very low	64 Å²	64	91.7 Å²	91.7	45%	0.448	47%	0.465	S	S	.	.			trans	-77.5	129.1	153.8	47.4	0	0	0	0	105.9	V86 H90	V86-S88 PolarHBondContact O-N 3.26Å; S88-H90 CarbonylContact O-C 3.52Å; S88-H90 PolarHBondContact O-N 3.25Å
89	G	34.5	Very low	33.9	Very low	78 Å²	78	94 Å²	94	80%	0.804	48%	0.477	S	S	*	.	S	Bend	trans	-53.7	-2.1	-164.9	0	0	0	0	0	117.8
90	H	32.1	Very low	33.6	Very low	174 Å²	174	101.7 Å²	101.7	81%	0.806	50%	0.501	S	S	*	.	S	Bend	trans	-137.4	110.9	171.2	-69.5	60.9	0	0	0	108.1	S88	S88-H90 CarbonylContact O-C 3.52Å; S88-H90 PolarHBondContact O-N 3.25Å
91	Q	29.2	Very low	33.3	Very low	167 Å²	167	102.7 Å²	102.7	78%	0.78	51%	0.506	S	S	*	.			trans	73.1	112.4	179	-59.2	-178.3	-9.8	0	0	117.2	T93	Q91-T93 PolarHBondContact O-N 2.8Å
92	A	31.4	Very low	33	Very low	70 Å²	70	106.3 Å²	106.3	58%	0.579	52%	0.522	S	S	*	.			trans	-75.6	105	165.2	0	0	0	0	0	109.1	R94	A92-R94 PolarHBondContact O-N 3.17Å
93	T	29.2	Very low	32.9	Very low	79 Å²	79	105.2 Å²	105.2	49%	0.485	52%	0.519	S	S	.	.			trans	-77.7	116.2	171.1	33.9	0	0	0	0	109.6	Q91 N95	Q91-T93 PolarHBondContact O-N 2.8Å; T93-N95 PolarHBondContact O-N 2.78Å
94	R	29.1	Very low	32.8	Very low	172 Å²	172	106.6 Å²	106.6	65%	0.649	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	93.7	178.3	-175.9	177.4	177	-178.7	-4	108.9	A92 E96	A92-R94 PolarHBondContact O-N 3.17Å; R94-E96 HydrophobicContact CG-CG 4.12Å; R94-E96 IonicContact CZ-OE1 3.1Å; R94-E96 IonicContact NE-OE1 2.78Å; R94-E96 PolarHBondContact NE-OE1 3.43Å; R94-E96 IonicContact NH2-OE1 2.65Å; R94-E96 PolarHBondContact NH2-OE1 3.25Å
95	N	31.6	Very low	32.6	Very low	103 Å²	103	105.2 Å²	105.2	55%	0.551	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	112.5	168.6	-72.2	-7.9	0	0	0	108.4	T93	T93-N95 PolarHBondContact O-N 2.78Å
96	E	31.2	Very low	32.6	Very low	93 Å²	93	108.7 Å²	108.7	44%	0.435	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	110.6	172.2	-66.2	-171.6	161.3	0	0	108.8	K83 R94	K83-E96 VanDerWaalsContact CE-OE1 3.25Å; K83-E96 WeakPolarHBondContact CE-OE1 3.41Å; K83-E96 HydrophobicContact CG-CG 4.35Å; R94-E96 HydrophobicContact CG-CG 4.12Å; R94-E96 IonicContact CZ-OE1 3.1Å; R94-E96 IonicContact NE-OE1 2.78Å; R94-E96 PolarHBondContact NE-OE1 3.43Å; R94-E96 IonicContact NH2-OE1 2.65Å; R94-E96 PolarHBondContact NH2-OE1 3.25Å
97	E	34.1	Very low	32.6	Very low	123 Å²	123	108.3 Å²	108.3	58%	0.575	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.5	169.9	-69	-176.2	174.7	0	0	108.3	F82	F82-E97 PolarHBondContact N-O 3.01Å
98	T	32.9	Very low	32.5	Very low	76 Å²	76	102.9 Å²	102.9	47%	0.466	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.1	177	-57.4	0	0	0	0	109.2	M80 R100	M80-T98 WeakPolarHBondContact O-CA 3.47Å; T98-R100 HydrophobicContact CG2-CG 4.21Å
99	L	35	Very low	32.5	Very low	48 Å²	48	100 Å²	100	25%	0.251	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.6	169.8	-171.5	71.8	0	0	0	108.7	S79 M80 L101 V118	S79-L99 WeakPolarHBondContact CA-O 3.02Å; M80-L99 HydrophobicContact CB-CB 4.5Å; M80-L99 PolarHBondContact N-O 3.5Å; M80-L99 PolarHBondContact O-N 2.85Å; L99-L101 HydrophobicContact CD2-CD1 4.34Å; L99-L101 HydrophobicContact CD2-CD2 4.21Å; L99-L101 HydrophobicContact CD2-CG 4.26Å; L99-L101 HydrophobicContact CG-CD2 4.28Å; L99-L101 HydrophobicContact CG-CG 4.35Å; L99-V118 HydrophobicContact CD2-CB 4.42Å; L99-V118 HydrophobicContact CD2-CG1 4.16Å
100	R	32.2	Very low	32.5	Very low	192 Å²	192	99.5 Å²	99.5	73%	0.725	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.7	173.8	-67.6	-175.5	179.4	173.6	1.8	109.5	I78 T98	I78-R100 WeakPolarHBondContact O-CA 3.49Å; T98-R100 HydrophobicContact CG2-CG 4.21Å
101	L	36.6	Very low	32.8	Very low	25 Å²	25	91.5 Å²	91.5	13%	0.131	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.9	172.6	-58.3	173.7	0	0	0	108.4	T77 I78 L99 I109 I111 S120	T77-L101 WeakPolarHBondContact CA-O 3.15Å; I78-L101 HydrophobicContact CB-CB 4.37Å; I78-L101 PolarHBondContact N-O 3.21Å; I78-L101 PolarHBondContact O-N 2.96Å; L99-L101 HydrophobicContact CD2-CD1 4.34Å; L99-L101 HydrophobicContact CD2-CD2 4.21Å; L99-L101 HydrophobicContact CD2-CG 4.26Å; L99-L101 HydrophobicContact CG-CD2 4.28Å; L99-L101 HydrophobicContact CG-CG 4.35Å; L101-I109 HydrophobicContact CD1-CG2 3.93Å; L101-I111 HydrophobicContact CD1-CD1 4.08Å; L101-I111 HydrophobicContact CD1-CG1 4.38Å; L101-S120 WeakPolarHBondContact CD1-OG 3.45Å; L101-S120 VanDerWaalsContact CD2-OG 3.29Å; L101-S120 WeakPolarHBondContact CD2-OG 3.43Å
102	Q	30.6	Very low	32.9	Very low	129 Å²	129	87.6 Å²	87.6	60%	0.603	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.8	174.7	-173.3	176.9	1.3	0	0	108.5	A75 L76 L104	A75-Q102 HydrophobicContact CB-CG 3.95Å; L76-Q102 WeakPolarHBondContact O-CA 3.14Å; Q102-L104 HydrophobicContact CG-CD2 4.46Å
103	C	36.1	Very low	33	Very low	14 Å²	14	86.8 Å²	86.8	10%	0.095	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.9	178	-64.2	0	0	0	0	109.2	A75 L76 I109	A75-C103 VanDerWaalsContact CA-O 3.29Å; A75-C103 WeakPolarHBondContact CA-O 3.47Å; L76-C103 HydrophobicContact CB-CB 4.36Å; L76-C103 PolarHBondContact N-O 2.89Å; L76-C103 PolarHBondContact O-N 2.92Å; C103-I109 HydrophobicContact CB-CD1 4.27Å; C103-I109 WeakPolarHBondContact SG-CD1 3.28Å; C103-I109 WeakPolarHBondContact SG-CG1 3.06Å
104	L	31.5	Very low	33.2	Very low	95 Å²	95	85.3 Å²	85.3	50%	0.497	41%	0.408	S	S	.	.			trans	-82.4	-28.6	-174	-66	172.8	0	0	0	112.2	P73 Q102	P73-L104 WeakPolarHBondContact CG-O 3.4Å; Q102-L104 HydrophobicContact CG-CD2 4.46Å
105	E	33.3	Very low	33.2	Very low	125 Å²	125	83.9 Å²	83.9	58%	0.584	41%	0.413	S	S	*	.	S	Bend	trans	-148.8	170.7	-179.7	-75.6	-167.9	156	0	0	112.8	P73 G107	P73-E105 HydrophobicContact CB-CG 4.16Å; P73-E105 HydrophobicContact CG-CG 3.47Å; P73-E105 VanDerWaalsContact CG-CG 3.47Å; E105-G107 PolarHBondContact O-N 2.83Å
106	K	33.1	Very low	33	Very low	187 Å²	187	86 Å²	86	81%	0.813	42%	0.42	S	S	*	.	S	Bend	trans	-43.5	106.6	177.5	-64.3	176.8	-178.6	177.1	0	110.2
107	G	31.7	Very low	32.8	Very low	38 Å²	38	88.4 Å²	88.4	39%	0.392	44%	0.435	S	S	.	.			trans	-160.5	151.2	-174.4	0	0	0	0	0	111.8	E105	E105-G107 PolarHBondContact O-N 2.83Å
108	F	32	Very low	32.4	Very low	109 Å²	109	83.6 Å²	83.6	48%	0.478	41%	0.413	S	S	.	.			trans	-83.2	140.8	173.2	-60.6	-84.4	0	0	0	109	R10 F110	R10-F108 HydrophobicContact CB-CD1 4.36Å; F108-F110 HydrophobicContact CB-CE2 3.94Å; F108-F110 HydrophobicContact CB-CZ 4.32Å
109	I	34.4	Very low	32.1	Very low	4 Å²	4	89.6 Å²	89.6	2%	0.021	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-114.9	109.3	-179.1	-56.7	161.1	0	0	0	107.3	V9 L76 I78 L101 C103 I111	V9-I109 HydrophobicContact CG1-CD1 4.18Å; L76-I109 HydrophobicContact CD2-CD1 4.47Å; I78-I109 HydrophobicContact CD1-CD1 3.21Å; I78-I109 HydrophobicContact CD1-CG1 4.49Å; I78-I109 HydrophobicContact CG1-CD1 4.06Å; L101-I109 HydrophobicContact CD1-CG2 3.93Å; C103-I109 HydrophobicContact CB-CD1 4.27Å; C103-I109 WeakPolarHBondContact SG-CD1 3.28Å; C103-I109 WeakPolarHBondContact SG-CG1 3.06Å; I109-I111 HydrophobicContact CG2-CD1 3.99Å; I109-I111 HydrophobicContact CG2-CG1 3.78Å
110	F	35.6	Very low	31.9	Very low	67 Å²	67	88.9 Å²	88.9	29%	0.294	43%	0.426	S	S	.	.			trans	-89.6	120.6	176.1	-65.9	-83.3	0	0	0	109.3	F108 S130	F108-F110 HydrophobicContact CB-CE2 3.94Å; F108-F110 HydrophobicContact CB-CZ 4.32Å; F110-S130 WeakPolarHBondContact CE1-O 3.45Å; F110-S130 WeakPolarHBondContact CE2-OG 3.37Å; F110-S130 WeakPolarHBondContact CZ-O 3.48Å
111	I	37.1	Very low	31.6	Very low	5 Å²	5	84.8 Å²	84.8	3%	0.026	41%	0.414	C	S	.	.			trans	-120.7	108.4	-178.6	-49.6	-175.3	0	0	0	109.1	I11 M80 L101 I109 I113 V118	I11-I111 HydrophobicContact CG2-CB 4.45Å; I11-I111 HydrophobicContact CG2-CD1 4.32Å; I11-I111 HydrophobicContact CG2-CG1 4.41Å; M80-I111 HydrophobicContact CE-CD1 4.1Å; M80-I111 HydrophobicContact CE-CG2 3.69Å; M80-I111 HydrophobicContact SD-CD1 3.47Å; M80-I111 WeakPolarHBondContact SD-CD1 3.32Å; M80-I111 HydrophobicContact SD-CG1 4.44Å; M80-I111 HydrophobicContact SD-CG2 3.59Å; M80-I111 VanDerWaalsContact SD-CG2 3.59Å; L101-I111 HydrophobicContact CD1-CD1 4.08Å; L101-I111 HydrophobicContact CD1-CG1 4.38Å; I109-I111 HydrophobicContact CG2-CD1 3.99Å; I109-I111 HydrophobicContact CG2-CG1 3.78Å; I111-I113 HydrophobicContact CG2-CG1 4.28Å; I111-V118 HydrophobicContact CG2-CG1 4.07Å
112	H	32.8	Very low	31.1	Very low	85 Å²	85	86.7 Å²	86.7	39%	0.394	43%	0.429	S	S	.	.			trans	-99.8	103.7	-176.9	-173.4	-99.6	0	0	0	109.8	C114 V118	H112-C114 PolarHBondContact CE1-SG 3.01Å; H112-C114 PolarHBondContact O-N 3.18Å; H112-V118 WeakPolarHBondContact O-CG1 3.3Å; H112-V118 VanDerWaalsContact O-CG2 3.27Å; H112-V118 WeakPolarHBondContact O-CG2 3.44Å
113	I	33.6	Very low	31.1	Very low	54 Å²	54	83.2 Å²	83.2	28%	0.277	41%	0.414	S	S	.	.			trans	-95.4	86.5	179.1	-54.2	167.1	0	0	0	108.2	L58 M80 F82 I111 V118	L58-I113 HydrophobicContact CD1-CD1 4.49Å; L58-I113 HydrophobicContact CD2-CD1 3.71Å; M80-I113 HydrophobicContact CE-CD1 4.14Å; F82-I113 HydrophobicContact CE1-CD1 3.98Å; F82-I113 HydrophobicContact CE1-CG1 4.16Å; F82-I113 HydrophobicContact CE1-CG2 4.1Å; F82-I113 HydrophobicContact CZ-CD1 4.4Å; F82-I113 HydrophobicContact CZ-CG1 4.36Å; I111-I113 HydrophobicContact CG2-CG1 4.28Å; I113-V118 HydrophobicContact CG1-CG2 4.34Å
114	C	33.6	Very low	30.6	Very low	47 Å²	47	90.3 Å²	90.3	32%	0.318	44%	0.44	S	S	.	.			trans	-87.3	156.5	160.4	-81.6	0	0	0	0	109.3	H112 Q116	H112-C114 PolarHBondContact CE1-SG 3.01Å; H112-C114 PolarHBondContact O-N 3.18Å; C114-Q116 CarbonylContact O-C 3.6Å; C114-Q116 PolarHBondContact O-N 3.01Å
115	N	28.9	Very low	30.3	Very low	142 Å²	142	89.1 Å²	89.1	76%	0.759	45%	0.451	S	S	*	.	S	Bend	trans	-62.8	14.7	179.6	-133.3	-2.4	0	0	0	114.5
116	Q	26.8	Very low	30	Very low	149 Å²	149	87.7 Å²	87.7	70%	0.696	44%	0.44	S	S	*	.	S	Bend	trans	-147.5	114.5	169.3	-64.4	-169.6	-10.3	0	0	108.9	C114	C114-Q116 CarbonylContact O-C 3.6Å; C114-Q116 PolarHBondContact O-N 3.01Å
117	I	27.4	Very low	29.8	Very low	143 Å²	143	85 Å²	85	73%	0.733	44%	0.441	S	S	*	.			trans	31.5	112.6	164.5	-52.5	177.9	0	0	0	117.6
118	V	25.7	Very low	29.5	Very low	21 Å²	21	86.9 Å²	86.9	13%	0.127	46%	0.461	C	S	.	.			trans	-79.3	124.6	176.8	-175.1	0	0	0	0	111.1	L99 I111 H112 I113	L99-V118 HydrophobicContact CD2-CB 4.42Å; L99-V118 HydrophobicContact CD2-CG1 4.16Å; I111-V118 HydrophobicContact CG2-CG1 4.07Å; H112-V118 WeakPolarHBondContact O-CG1 3.3Å; H112-V118 VanDerWaalsContact O-CG2 3.27Å; H112-V118 WeakPolarHBondContact O-CG2 3.44Å; I113-V118 HydrophobicContact CG1-CG2 4.34Å
119	R	26.8	Very low	29.1	Very low	202 Å²	202	85.8 Å²	85.8	76%	0.762	47%	0.467	S	S	*	.			trans	-124.2	119.7	159.6	-77.7	-172	174.7	-176.2	-1	109.9
120	S	29.7	Very low	28.6	Very low	33 Å²	33	86.9 Å²	86.9	23%	0.231	48%	0.475	C	S	.	.			trans	-85.7	141.6	-171.9	-36.6	0	0	0	0	111.7	L101	L101-S120 WeakPolarHBondContact CD1-OG 3.45Å; L101-S120 VanDerWaalsContact CD2-OG 3.29Å; L101-S120 WeakPolarHBondContact CD2-OG 3.43Å
121	F	26.5	Very low	28.1	Very low	106 Å²	106	88.1 Å²	88.1	47%	0.465	49%	0.492	S	S	.	.			trans	-110.6	131.5	167.5	-73.3	-90.5	0	0	0	109.1	T148	F121-T148 HydrophobicContact CE1-CG2 4.14Å; F121-T148 HydrophobicContact CZ-CG2 3.81Å
122	C	26	Very low	27.6	Very low	66 Å²	66	92.6 Å²	92.6	45%	0.446	52%	0.519	S	S	.	.	B	Isolated β-bridge	trans	-93.7	117.3	171.3	-69	0	0	0	0	108.2
123	D	29.8	Very low	27.2	Very low	55 Å²	55	93.7 Å²	93.7	29%	0.294	54%	0.535	S	S	.	.			trans	-89.1	111.2	178.1	-161.2	8.4	0	0	0	109.5	G125 S130	D123-G125 PolarHBondContact O-N 3.3Å; D123-S130 WeakPolarHBondContact OD2-CB 3.27Å; D123-S130 PolarHBondContact OD2-OG 3.43Å
124	Y	26.3	Very low	26.8	Very low	164 Å²	164	93 Å²	93	64%	0.643	54%	0.538	S	S	*	.			trans	-81.8	101.5	175.5	-79.5	-90.2	0	0	0	109
125	G	25.8	Very low	26.3	Very low	69 Å²	69	96.7 Å²	96.7	71%	0.711	55%	0.554	S	S	*	*	S	Bend	trans	102	28.2	142.6	0	0	0	0	0	120.2	D123	D123-G125 PolarHBondContact O-N 3.3Å
126	R	27	Very low	26.2	Very low	96 Å²	96	94.7 Å²	94.7	36%	0.362	55%	0.549	S	S	.	.			trans	-127.6	116.8	163.3	-80.2	-170.7	175.1	176.7	2.6	113.9	G128 A158	R126-G128 PolarHBondContact O-N 2.9Å; R126-A158 PolarHBondContact NH2-O 3.47Å
127	P	27.7	Very low	26.1	Very low	129 Å²	129	91.5 Å²	91.5	84%	0.838	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	116	162.5	-9.1	23.8	0	0	0	109
128	G	26	Very low	26.1	Very low	79 Å²	79	87.1 Å²	87.1	81%	0.814	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.9	-4.6	163	0	0	0	0	0	118	R126	R126-G128 PolarHBondContact O-N 2.9Å
129	S	23.5	Very low	26.1	Very low	86 Å²	86	89.9 Å²	89.9	60%	0.601	56%	0.562	S	S	*	*			trans	-165.4	115.9	172.5	40.8	0	0	0	0	114.3
130	S	23.9	Very low	26.2	Very low	26 Å²	26	87.4 Å²	87.4	18%	0.182	56%	0.562	C	S	.	*			trans	-154.9	94.5	151.2	7.2	0	0	0	0	109.5	F110 D123	F110-S130 WeakPolarHBondContact CE1-O 3.45Å; F110-S130 WeakPolarHBondContact CE2-OG 3.37Å; F110-S130 WeakPolarHBondContact CZ-O 3.48Å; D123-S130 WeakPolarHBondContact OD2-CB 3.27Å; D123-S130 PolarHBondContact OD2-OG 3.43Å
131	S	25.4	Very low	26.1	Very low	94 Å²	94	87.1 Å²	87.1	66%	0.657	56%	0.564	S	S	*	*			trans	-106.3	110.3	162	49.2	0	0	0	0	108	C133	S131-C133 PolarHBondContact O-N 2.99Å
132	V	26	Very low	26.3	Very low	98 Å²	98	92.4 Å²	92.4	59%	0.594	58%	0.581	S	S	*	*			trans	-85.1	97.8	166.4	179.6	0	0	0	0	106.9	A134	V132-A134 PolarHBondContact O-N 2.9Å
133	C	25.2	Very low	26.6	Very low	108 Å²	108	94.7 Å²	94.7	73%	0.73	59%	0.588	S	S	*	*			trans	-79.7	111.5	169.3	-64.7	0	0	0	0	108.6	S131 L135	S131-C133 PolarHBondContact O-N 2.99Å; C133-L135 PolarHBondContact O-N 2.92Å
134	A	25.7	Very low	26.6	Very low	41 Å²	41	96.1 Å²	96.1	34%	0.339	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-68.6	126	166	0	0	0	0	0	109	V132	V132-A134 PolarHBondContact O-N 2.9Å
135	L	22.3	Very low	27	Very low	123 Å²	123	95.6 Å²	95.6	64%	0.644	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-70.7	130.1	176.2	-77.4	164.2	0	0	0	109.8	C133 G137 A138	C133-L135 PolarHBondContact O-N 2.92Å; L135-G137 PolarHBondContact O-N 3.47Å; L135-A138 PolarHBondContact O-N 3.18Å
136	P	27.1	Very low	27.6	Very low	100 Å²	100	94.8 Å²	94.8	65%	0.649	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	130.3	174.2	-6	12.7	0	0	0	110.3	W16	W16-P136 HydrophobicContact CH2-CB 3.9Å; W16-P136 HydrophobicContact CH2-CG 3.99Å; W16-P136 HydrophobicContact CZ2-CB 4.27Å; W16-P136 HydrophobicContact CZ2-CG 3.95Å
137	G	24.4	Very low	28.1	Very low	83 Å²	83	92.5 Å²	92.5	86%	0.856	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.7	5.6	174.6	0	0	0	0	0	115.7	L135 S139	L135-G137 PolarHBondContact O-N 3.47Å; G137-S139 VanDerWaalsContact C-N 3.33Å; G137-S139 PolarHBondContact O-N 3.32Å
138	A	27	Very low	28.6	Very low	50 Å²	50	87.6 Å²	87.6	41%	0.413	54%	0.539	S	S	.	.			trans	-66.8	95.9	165.6	0	0	0	0	0	108.8	L135	L135-A138 PolarHBondContact O-N 3.18Å
139	S	27.3	Very low	29.3	Very low	80 Å²	80	88.8 Å²	88.8	56%	0.559	52%	0.523	S	S	*	.			trans	-52.8	142.9	165.1	72.2	0	0	0	0	108.7	G137 G141	G137-S139 VanDerWaalsContact C-N 3.33Å; G137-S139 PolarHBondContact O-N 3.32Å; S139-G141 PolarHBondContact O-N 3.42Å
140	I	28.9	Very low	30.2	Very low	150 Å²	150	93 Å²	93	77%	0.769	53%	0.526	S	S	*	.	S	Bend	trans	-69.3	72	177.6	-54.3	170.9	0	0	0	108.1
141	G	27.6	Very low	30.9	Very low	26 Å²	26	97 Å²	97	27%	0.268	54%	0.538	S	S	.	.	S	Bend	trans	-133.6	-173.9	-178.1	0	0	0	0	0	110.5	S139 D143 F144	S139-G141 PolarHBondContact O-N 3.42Å; G141-D143 PolarHBondContact O-N 3.35Å; G141-F144 PolarHBondContact O-N 3.29Å; G141-F144 VanDerWaalsContact O-N 3.09Å
142	R	30.3	Very low	31.7	Very low	218 Å²	218	95.6 Å²	95.6	82%	0.823	53%	0.525	S	S	*	.	H	α-helix	trans	-47.9	-32.5	-178.7	-78.1	-178.5	-165	174.7	5	113.3	F144 W145 S146	R142-F144 PolarHBondContact O-N 3.33Å; R142-W145 PolarHBondContact O-N 2.85Å; R142-S146 PolarHBondContact O-N 3.09Å; R142-S146 PolarHBondContact O-OG 3.35Å; R142-S146 VanDerWaalsContact O-OG 3.07Å
143	D	31.1	Very low	32.4	Very low	114 Å²	114	95.7 Å²	95.7	61%	0.61	52%	0.518	S	S	*	.	H	α-helix	trans	-63.9	-35.5	-176.2	-58.9	-25.8	0	0	0	113.6	G141 S147	G141-D143 PolarHBondContact O-N 3.35Å; D143-S147 WeakPolarHBondContact O-CB 3.23Å; D143-S147 PolarHBondContact O-N 3.49Å
144	F	31.3	Very low	33.1	Very low	85 Å²	85	92.3 Å²	92.3	37%	0.373	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-49.9	174.5	179.3	-96.7	0	0	0	110.3	G141 R142 S146 S147 T148	G141-F144 PolarHBondContact O-N 3.29Å; G141-F144 VanDerWaalsContact O-N 3.09Å; R142-F144 PolarHBondContact O-N 3.33Å; F144-S146 VanDerWaalsContact C-N 3.33Å; F144-S146 PolarHBondContact O-N 2.91Å; F144-S147 WeakPolarHBondContact O-CB 3.5Å; F144-S147 PolarHBondContact O-N 3.07Å; F144-T148 WeakPolarHBondContact CE1-OG1 3.43Å; F144-T148 PolarHBondContact O-N 2.96Å; F144-T148 PolarHBondContact O-OG1 2.92Å; F144-T148 VanDerWaalsContact O-OG1 3.08Å
145	W	33.6	Very low	33.7	Very low	153 Å²	153	93.4 Å²	93.4	58%	0.58	50%	0.501	S	S	*	.	H	α-helix	trans	-59.7	-42.6	178.5	-72.4	119.3	0	0	0	112.3	R142 S147 T148 E149	R142-W145 PolarHBondContact O-N 2.85Å; W145-S147 VanDerWaalsContact C-N 3.28Å; W145-S147 PolarHBondContact O-N 3.02Å; W145-T148 PolarHBondContact O-N 3.27Å; W145-E149 VanDerWaalsContact O-CB 3.27Å; W145-E149 WeakPolarHBondContact O-CB 3.36Å; W145-E149 PolarHBondContact O-N 3.42Å
146	S	38.1	Very low	34.4	Very low	51 Å²	51	93 Å²	93	36%	0.357	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-30	176.3	-55.8	0	0	0	0	113	R142 F144 R150	R142-S146 PolarHBondContact O-N 3.09Å; R142-S146 PolarHBondContact O-OG 3.35Å; R142-S146 VanDerWaalsContact O-OG 3.07Å; F144-S146 VanDerWaalsContact C-N 3.33Å; F144-S146 PolarHBondContact O-N 2.91Å; S146-R150 WeakPolarHBondContact O-CB 3.41Å; S146-R150 VanDerWaalsContact O-CG 3.27Å; S146-R150 WeakPolarHBondContact O-CG 3.27Å; S146-R150 PolarHBondContact O-N 3.11Å; S146-R150 PolarHBondContact O-NE 3.47Å
147	S	37.4	Very low	35	Very low	49 Å²	49	97 Å²	97	34%	0.343	50%	0.498	S	S	.	.	H	α-helix	trans	-74.1	-47.3	174.4	-164.8	0	0	0	0	111.3	D143 F144 W145 E149 R150 Y151	D143-S147 WeakPolarHBondContact O-CB 3.23Å; D143-S147 PolarHBondContact O-N 3.49Å; F144-S147 WeakPolarHBondContact O-CB 3.5Å; F144-S147 PolarHBondContact O-N 3.07Å; W145-S147 VanDerWaalsContact C-N 3.28Å; W145-S147 PolarHBondContact O-N 3.02Å; S147-E149 PolarHBondContact O-N 2.97Å; S147-R150 PolarHBondContact O-N 3.02Å; S147-Y151 PolarHBondContact O-N 3.08Å
148	T	39.2	Very low	35.6	Very low	25 Å²	25	94.8 Å²	94.8	15%	0.153	47%	0.471	C	S	.	.	H	α-helix	trans	-59.4	-46.2	175.8	-53.6	0	0	0	0	111.5	F121 F144 W145 R150 Y151 V152	F121-T148 HydrophobicContact CE1-CG2 4.14Å; F121-T148 HydrophobicContact CZ-CG2 3.81Å; F144-T148 WeakPolarHBondContact CE1-OG1 3.43Å; F144-T148 PolarHBondContact O-N 2.96Å; F144-T148 PolarHBondContact O-OG1 2.92Å; F144-T148 VanDerWaalsContact O-OG1 3.08Å; W145-T148 PolarHBondContact O-N 3.27Å; T148-R150 PolarHBondContact O-N 2.66Å; T148-Y151 PolarHBondContact O-N 3.18Å; T148-V152 HydrophobicContact CG2-CG2 4.48Å; T148-V152 WeakPolarHBondContact O-CG2 3.35Å; T148-V152 PolarHBondContact O-N 2.83Å
149	E	41	Very low	35.9	Very low	104 Å²	104	94.2 Å²	94.2	49%	0.486	47%	0.47	S	S	.	.	H	α-helix	trans	-64.1	-40.2	179.2	-165.9	-171.5	170.5	0	0	111.7	W145 S147 Y151 K153	W145-E149 VanDerWaalsContact O-CB 3.27Å; W145-E149 WeakPolarHBondContact O-CB 3.36Å; W145-E149 PolarHBondContact O-N 3.42Å; S147-E149 PolarHBondContact O-N 2.97Å; E149-Y151 VanDerWaalsContact C-N 3.33Å; E149-Y151 PolarHBondContact O-N 2.86Å; E149-K153 HydrophobicContact CG-CD 4.25Å; E149-K153 VanDerWaalsContact O-CB 3.31Å; E149-K153 WeakPolarHBondContact O-CB 3.35Å; E149-K153 WeakPolarHBondContact O-CG 3.37Å; E149-K153 PolarHBondContact O-N 2.87Å; E149-K153 WeakPolarHBondContact OE1-CE 3.44Å; E149-K153 IonicContact OE1-NZ 2.66Å; E149-K153 PolarHBondContact OE1-NZ 2.85Å
150	R	40.9	Very low	36.3	Very low	174 Å²	174	98.7 Å²	98.7	66%	0.657	48%	0.48	S	S	*	.	H	α-helix	trans	-62.6	-39.9	173.3	-82.2	-176.1	-72.4	172.4	-3.9	112.1	S146 S147 T148 G154	S146-R150 WeakPolarHBondContact O-CB 3.41Å; S146-R150 VanDerWaalsContact O-CG 3.27Å; S146-R150 WeakPolarHBondContact O-CG 3.27Å; S146-R150 PolarHBondContact O-N 3.11Å; S146-R150 PolarHBondContact O-NE 3.47Å; S147-R150 PolarHBondContact O-N 3.02Å; T148-R150 PolarHBondContact O-N 2.66Å; R150-G154 PolarHBondContact O-N 3.28Å
151	Y	40.1	Very low	36.8	Very low	110 Å²	110	99.8 Å²	99.8	43%	0.431	48%	0.481	S	S	.	.	H	α-helix	trans	-66.8	-47.6	178.1	-175.2	-104.3	0	0	0	111.7	S147 T148 E149 K153 G154 I155	S147-Y151 PolarHBondContact O-N 3.08Å; T148-Y151 PolarHBondContact O-N 3.18Å; E149-Y151 VanDerWaalsContact C-N 3.33Å; E149-Y151 PolarHBondContact O-N 2.86Å; Y151-K153 PolarHBondContact O-N 3.46Å; Y151-G154 WeakPolarHBondContact O-CA 3.45Å; Y151-G154 PolarHBondContact O-N 3.39Å; Y151-G154 VanDerWaalsContact O-N 3.07Å; Y151-I155 HydrophobicContact CD1-CD1 3.74Å; Y151-I155 HydrophobicContact CE1-CD1 3.24Å; Y151-I155 HydrophobicContact CE1-CG1 4.23Å; Y151-I155 HydrophobicContact CE2-CD1 4.45Å; Y151-I155 WeakPolarHBondContact O-CG1 3.41Å; Y151-I155 PolarHBondContact O-N 3.39Å
152	V	40.8	Very low	37.2	Very low	66 Å²	66	104 Å²	104	40%	0.4	49%	0.494	S	S	.	.	H	α-helix	trans	-58.5	-48.7	175.2	173.6	0	0	0	0	110.7	T148 G154 I155 E156	T148-V152 HydrophobicContact CG2-CG2 4.48Å; T148-V152 WeakPolarHBondContact O-CG2 3.35Å; T148-V152 PolarHBondContact O-N 2.83Å; V152-G154 VanDerWaalsContact C-N 3.26Å; V152-G154 PolarHBondContact O-N 3.06Å; V152-I155 PolarHBondContact O-N 3.37Å; V152-E156 WeakPolarHBondContact O-CG 3.27Å; V152-E156 PolarHBondContact O-N 2.72Å
153	K	41.7	Very low	37.4	Very low	99 Å²	99	96.6 Å²	96.6	43%	0.43	49%	0.486	S	S	.	.	H	α-helix	trans	-61	-34.7	175	-76.8	174.9	170.7	166.7	0	112.6	E149 Y151 R157	E149-K153 HydrophobicContact CG-CD 4.25Å; E149-K153 VanDerWaalsContact O-CB 3.31Å; E149-K153 WeakPolarHBondContact O-CB 3.35Å; E149-K153 WeakPolarHBondContact O-CG 3.37Å; E149-K153 PolarHBondContact O-N 2.87Å; E149-K153 WeakPolarHBondContact OE1-CE 3.44Å; E149-K153 IonicContact OE1-NZ 2.66Å; E149-K153 PolarHBondContact OE1-NZ 2.85Å; Y151-K153 PolarHBondContact O-N 3.46Å; K153-R157 WeakPolarHBondContact O-CB 3.31Å; K153-R157 VanDerWaalsContact O-CG 3.3Å; K153-R157 WeakPolarHBondContact O-CG 3.45Å; K153-R157 PolarHBondContact O-N 3.23Å
154	G	39.8	Very low	37.4	Very low	38 Å²	38	93.8 Å²	93.8	39%	0.392	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-45.4	174.7	0	0	0	0	0	112.1	R150 Y151 V152 R157 A158	R150-G154 PolarHBondContact O-N 3.28Å; Y151-G154 WeakPolarHBondContact O-CA 3.45Å; Y151-G154 PolarHBondContact O-N 3.39Å; Y151-G154 VanDerWaalsContact O-N 3.07Å; V152-G154 VanDerWaalsContact C-N 3.26Å; V152-G154 PolarHBondContact O-N 3.06Å; G154-R157 PolarHBondContact O-N 2.68Å; G154-A158 WeakPolarHBondContact O-CB 3.37Å; G154-A158 PolarHBondContact O-N 3.5Å
155	I	37.5	Very low	37.2	Very low	64 Å²	64	96.2 Å²	96.2	33%	0.328	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-46.9	174.8	-67.3	172.2	0	0	0	110.6	Y151 V152 R157 A158 G159	Y151-I155 HydrophobicContact CD1-CD1 3.74Å; Y151-I155 HydrophobicContact CE1-CD1 3.24Å; Y151-I155 HydrophobicContact CE1-CG1 4.23Å; Y151-I155 HydrophobicContact CE2-CD1 4.45Å; Y151-I155 WeakPolarHBondContact O-CG1 3.41Å; Y151-I155 PolarHBondContact O-N 3.39Å; V152-I155 PolarHBondContact O-N 3.37Å; I155-R157 VanDerWaalsContact C-N 3.31Å; I155-R157 PolarHBondContact O-N 3.44Å; I155-A158 CarbonylContact O-C 3.37Å; I155-A158 PolarHBondContact O-N 3.46Å; I155-A158 VanDerWaalsContact O-N 3.17Å; I155-G159 PolarHBondContact O-N 3.18Å
156	E	36.9	Very low	37.1	Very low	114 Å²	114	99.7 Å²	99.7	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-58.9	-41.2	178.1	-73.7	-176.8	165.8	0	0	112.2	V152 G159 K160	V152-E156 WeakPolarHBondContact O-CG 3.27Å; V152-E156 PolarHBondContact O-N 2.72Å; E156-G159 PolarHBondContact O-N 2.93Å; E156-K160 WeakPolarHBondContact O-CG 3.45Å; E156-K160 PolarHBondContact O-N 2.69Å
157	R	40.6	Very low	36.7	Very low	185 Å²	185	110.8 Å²	110.8	70%	0.698	56%	0.56	S	S	*	*	H	α-helix	trans	-65.1	-44.5	174.9	-76.1	177.7	-177.4	-172.1	0.8	111.9	K153 G154 I155 G159 K160 Q161	K153-R157 WeakPolarHBondContact O-CB 3.31Å; K153-R157 VanDerWaalsContact O-CG 3.3Å; K153-R157 WeakPolarHBondContact O-CG 3.45Å; K153-R157 PolarHBondContact O-N 3.23Å; G154-R157 PolarHBondContact O-N 2.68Å; I155-R157 VanDerWaalsContact C-N 3.31Å; I155-R157 PolarHBondContact O-N 3.44Å; R157-G159 VanDerWaalsContact C-N 3.27Å; R157-G159 PolarHBondContact O-N 3.29Å; R157-K160 PolarHBondContact O-N 3.02Å; R157-Q161 PolarHBondContact O-N 3.23Å
158	A	37.7	Very low	36.6	Very low	35 Å²	35	113.9 Å²	113.9	29%	0.289	57%	0.571	S	S	.	*	H	α-helix	trans	-66.7	-29.5	177.1	0	0	0	0	0	112.5	R126 G154 I155	R126-A158 PolarHBondContact NH2-O 3.47Å; G154-A158 WeakPolarHBondContact O-CB 3.37Å; G154-A158 PolarHBondContact O-N 3.5Å; I155-A158 CarbonylContact O-C 3.37Å; I155-A158 PolarHBondContact O-N 3.46Å; I155-A158 VanDerWaalsContact O-N 3.17Å
159	G	32	Very low	36.5	Very low	38 Å²	38	118.5 Å²	118.5	39%	0.392	59%	0.593	S	S	.	*	H	α-helix	trans	-69.4	-46.2	171.4	0	0	0	0	0	112.1	I155 E156 R157 Q161 Q162	I155-G159 PolarHBondContact O-N 3.18Å; E156-G159 PolarHBondContact O-N 2.93Å; R157-G159 VanDerWaalsContact C-N 3.27Å; R157-G159 PolarHBondContact O-N 3.29Å; G159-Q161 PolarHBondContact O-N 2.95Å; G159-Q162 PolarHBondContact O-N 3.09Å
160	K	36	Very low	36.3	Very low	175 Å²	175	119.3 Å²	119.3	76%	0.761	60%	0.599	S	S	*	*	H	α-helix	trans	-66.1	-34.2	178.2	-75.5	-176.4	-179.7	-180	0	113.5	E156 R157 Q162 G163	E156-K160 WeakPolarHBondContact O-CG 3.45Å; E156-K160 PolarHBondContact O-N 2.69Å; R157-K160 PolarHBondContact O-N 3.02Å; K160-Q162 VanDerWaalsContact C-N 3.26Å; K160-Q162 PolarHBondContact O-N 3.07Å; K160-G163 PolarHBondContact O-N 2.95Å
161	Q	38.8	Very low	36	Very low	173 Å²	173	116.1 Å²	116.1	81%	0.808	60%	0.596	S	S	*	*	H	α-helix	trans	-69.1	-22.6	175.4	-77.3	-174.8	-10.1	0	0	113.5	R157 G159 G163	R157-Q161 PolarHBondContact O-N 3.23Å; G159-Q161 PolarHBondContact O-N 2.95Å; Q161-G163 VanDerWaalsContact C-N 3.26Å; Q161-G163 PolarHBondContact O-N 3.4Å
162	Q	37.6	Very low	35.7	Very low	114 Å²	114	116.5 Å²	116.5	53%	0.533	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	8.7	175.3	-72	-176.4	0.7	0	0	113.6	G159 K160 G164	G159-Q162 PolarHBondContact O-N 3.09Å; K160-Q162 VanDerWaalsContact C-N 3.26Å; K160-Q162 PolarHBondContact O-N 3.07Å; Q162-G164 PolarHBondContact O-N 3.36Å
163	G	32.6	Very low	35.4	Very low	63 Å²	63	119.9 Å²	119.9	65%	0.649	62%	0.62	S	S	*	*			trans	-70.8	13.1	171.6	0	0	0	0	0	115	K160 Q161 T165	K160-G163 PolarHBondContact O-N 2.95Å; Q161-G163 VanDerWaalsContact C-N 3.26Å; Q161-G163 PolarHBondContact O-N 3.4Å; G163-T165 PolarHBondContact O-N 3.06Å
164	G	31.3	Very low	34.9	Very low	54 Å²	54	121.4 Å²	121.4	56%	0.557	63%	0.633	S	S	*	*	S	Bend	trans	-65.8	99.3	166.4	0	0	0	0	0	109.4	Q162 W166	Q162-G164 PolarHBondContact O-N 3.36Å; G164-W166 PolarHBondContact O-N 3.34Å
165	T	28.5	Very low	34.6	Very low	137 Å²	137	127.8 Å²	127.8	84%	0.84	65%	0.652	S	S	*	*			trans	9.1	96.4	161.1	2.6	0	0	0	0	114.9	G163 K167	G163-T165 PolarHBondContact O-N 3.06Å; T165-K167 PolarHBondContact O-N 2.88Å
166	W	30.3	Very low	34.3	Very low	226 Å²	226	133.1 Å²	133.1	86%	0.856	68%	0.679	S	S	*	*			trans	-64.2	126	156.2	-62.7	86.2	0	0	0	106.8	G164	G164-W166 PolarHBondContact O-N 3.34Å
167	K	29.6	Very low	34.1	Very low	283 Å²	283	134.8 Å²	134.8	100%	1.23	69%	0.692	S	S	*	*			trans	-47.1	0	-174.4	-74.5	-177.3	176	179.8	0	113.7	T165	T165-K167 PolarHBondContact O-N 2.88Å

Retrieved 167 of 167 residues in 81.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).