A0A077Z9R2_TRITR Loading...

Integrase catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z9R2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 105 aa.

						>A0A077Z9R2_TRITR|A0A077Z9R2
MDVEMPVDTKTERLTRRDKILLQVMRWAMRSNVIIPKNARSKAPILFHEVDPGAVRMKTLGQRFFIVIDSCSKWLEVLLARTATTATIDNVAMLLAAHGLPNVMF
					

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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	34.8	Very low	41.6	Very low	230 Å²	230	150.6 Å²	150.6	100%	1.133	81%	0.813	S	S	*	*				0	98.3	0	-73.1	-172.4	179.2	0	0	105.4	V3	M1-V3 PolarHBondContact O-N 3.2Å
2	D	40.6	Very low	42.6	Very low	162 Å²	162	147.5 Å²	147.5	87%	0.866	79%	0.79	S	S	*	*			trans	-71	113.2	-176.6	-60	-55.9	0	0	0	108.6	E4	D2-E4 PolarHBondContact O-N 3.47Å
3	V	48.3	Very low	43.5	Very low	131 Å²	131	155 Å²	155	79%	0.794	80%	0.8	S	S	*	*			trans	-77.3	90.4	178.2	179.7	0	0	0	0	106.9	M1 M5	M1-V3 PolarHBondContact O-N 3.2Å; V3-M5 PolarHBondContact O-N 2.97Å; V3-M5 VanDerWaalsContact O-N 3.1Å
4	E	38.6	Very low	44.6	Very low	189 Å²	189	149.8 Å²	149.8	88%	0.883	77%	0.774	S	S	*	*			trans	-61.8	109.1	166.2	-79.2	-172	155.9	0	0	108.7	D2	D2-E4 PolarHBondContact O-N 3.47Å
5	M	38.7	Very low	46	Very low	155 Å²	155	144.7 Å²	144.7	76%	0.764	75%	0.752	S	S	*	*			trans	-74	137.6	167.6	-79.6	-174.3	39.9	0	0	109.9	V3 V7	V3-M5 PolarHBondContact O-N 2.97Å; V3-M5 VanDerWaalsContact O-N 3.1Å; M5-V7 PolarHBondContact O-N 3.16Å; M5-V7 VanDerWaalsContact O-N 3.17Å
6	P	39.2	Very low	47	Very low	124 Å²	124	149.1 Å²	149.1	81%	0.805	76%	0.756	S	S	*	*			trans	-68.1	116.6	-177.1	27.3	-32.9	0	0	0	110.5	D8	P6-D8 PolarHBondContact O-N 3.12Å
7	V	49.6	Very low	47.4	Very low	126 Å²	126	152.7 Å²	152.7	76%	0.764	76%	0.758	S	S	*	*			trans	-65.7	109.1	162.7	171.8	0	0	0	0	107.1	M5 T9	M5-V7 PolarHBondContact O-N 3.16Å; M5-V7 VanDerWaalsContact O-N 3.17Å; V7-T9 PolarHBondContact O-N 3.19Å
8	D	43.6	Very low	47.9	Very low	120 Å²	120	145.4 Å²	145.4	64%	0.642	72%	0.722	S	S	*	*			trans	-57.8	105.5	172.7	177.5	9.2	0	0	0	109.6	P6 K10	P6-D8 PolarHBondContact O-N 3.12Å; D8-K10 PolarHBondContact O-N 3.41Å; D8-K10 WeakPolarHBondContact OD1-CB 3.47Å; D8-K10 PolarHBondContact OD1-N 2.79Å; D8-K10 VanDerWaalsContact OD1-N 3.14Å
9	T	38.4	Very low	48.6	Very low	123 Å²	123	144.2 Å²	144.2	76%	0.755	71%	0.712	S	S	*	*			trans	-79.6	14.5	-177	48.7	0	0	0	0	113.6	V7 T11	V7-T9 PolarHBondContact O-N 3.19Å; T9-T11 PolarHBondContact O-N 3.25Å; T9-T11 PolarHBondContact O-OG1 2.69Å
10	K	43.9	Very low	49.2	Very low	156 Å²	156	141.4 Å²	141.4	68%	0.678	70%	0.699	S	S	*	*			trans	-72.7	93.5	167.6	-75.1	-177.9	179.5	175.6	0	110.5	D8 E12	D8-K10 PolarHBondContact O-N 3.41Å; D8-K10 WeakPolarHBondContact OD1-CB 3.47Å; D8-K10 PolarHBondContact OD1-N 2.79Å; D8-K10 VanDerWaalsContact OD1-N 3.14Å; K10-E12 PolarHBondContact O-N 3.17Å
11	T	42.2	Very low	49.7	Very low	141 Å²	141	135.8 Å²	135.8	87%	0.865	67%	0.672	S	S	*	*			trans	-65.7	77.1	172.5	-28.6	0	0	0	0	110.4	T9 R13	T9-T11 PolarHBondContact O-N 3.25Å; T9-T11 PolarHBondContact O-OG1 2.69Å; T11-R13 PolarHBondContact O-N 3.49Å
12	E	53.1	Low	50.8	Low	113 Å²	113	127.3 Å²	127.3	53%	0.528	63%	0.631	S	S	.	*			trans	-63	115.6	175.8	-75.7	177.6	148.1	0	0	109.9	K10 L14 R56 K58	K10-E12 PolarHBondContact O-N 3.17Å; E12-L14 PolarHBondContact O-N 2.78Å; E12-L14 VanDerWaalsContact O-N 3.17Å; E12-R56 IonicContact OE2-NH2 3.12Å; E12-R56 PolarHBondContact OE2-NH2 2.94Å; E12-R56 VanDerWaalsContact OE2-NH2 3.12Å; E12-K58 IonicContact OE1-NZ 2.79Å; E12-K58 WeakPolarHBondContact OE2-CE 3.44Å; E12-K58 IonicContact OE2-NZ 3.74Å; E12-K58 PolarHBondContact OE2-NZ 3.37Å
13	R	55.1	Low	51.7	Low	245 Å²	245	125.8 Å²	125.8	93%	0.925	62%	0.619	S	S	*	*			trans	-61.5	116	177.9	-74.2	-176.8	175.2	-175.2	-0.8	110.1	T11 T15	T11-R13 PolarHBondContact O-N 3.49Å; R13-T15 PolarHBondContact O-N 3.24Å
14	L	58	Low	52.2	Low	82 Å²	82	121.8 Å²	121.8	43%	0.429	59%	0.594	S	S	.	*			trans	-57.6	130.1	170.9	-67	169.2	0	0	0	110.6	E12 D18 K19 L22	E12-L14 PolarHBondContact O-N 2.78Å; E12-L14 VanDerWaalsContact O-N 3.17Å; L14-D18 HydrophobicContact CB-CB 4.25Å; L14-D18 HydrophobicContact CD2-CB 3.95Å; L14-K19 HydrophobicContact CB-CG 4.31Å; L14-L22 HydrophobicContact CD1-CD1 3.9Å; L14-L22 HydrophobicContact CD2-CD1 4.32Å
15	T	66.2	Low	53.1	Low	73 Å²	73	114.2 Å²	114.2	45%	0.448	56%	0.559	S	S	.	*			trans	-70.2	161.8	173.2	72.9	0	0	0	0	110.5	R13 R17 D18 K19	R13-T15 PolarHBondContact O-N 3.24Å; T15-R17 PolarHBondContact O-N 2.98Å; T15-R17 PolarHBondContact OG1-N 3.2Å; T15-D18 WeakPolarHBondContact CA-OD2 3.3Å; T15-D18 VanDerWaalsContact CB-OD2 3.3Å; T15-D18 WeakPolarHBondContact CB-OD2 3.5Å; T15-D18 WeakPolarHBondContact CG2-OD2 3.45Å; T15-D18 PolarHBondContact N-OD2 3.14Å; T15-D18 PolarHBondContact O-N 2.96Å; T15-D18 VanDerWaalsContact O-N 3.12Å; T15-D18 PolarHBondContact OG1-N 3.26Å; T15-D18 PolarHBondContact OG1-OD1 3.1Å; T15-D18 PolarHBondContact OG1-OD2 3.48Å; T15-K19 PolarHBondContact O-N 3.35Å; T15-K19 VanDerWaalsContact O-N 3.16Å
16	R	61.2	Low	54	Low	215 Å²	215	114.9 Å²	114.9	81%	0.811	55%	0.553	S	S	*	*	H	α-helix	trans	-56.2	-33.2	174.9	-173	178.7	179.4	-156.4	0.6	111.9	I20	R16-I20 WeakPolarHBondContact O-CG1 3.38Å; R16-I20 PolarHBondContact O-N 3.12Å
17	R	54.2	Low	54.9	Low	211 Å²	211	116.1 Å²	116.1	80%	0.796	54%	0.542	S	S	*	.	H	α-helix	trans	-69.2	-43.1	177.8	-66.2	-179.3	-178.5	145.1	0.9	111.3	T15 K19 I20 L21	T15-R17 PolarHBondContact O-N 2.98Å; T15-R17 PolarHBondContact OG1-N 3.2Å; R17-K19 PolarHBondContact O-N 3.32Å; R17-I20 PolarHBondContact O-N 2.79Å; R17-L21 PolarHBondContact O-N 2.96Å
18	D	57.2	Low	55	Low	21 Å²	21	110.2 Å²	110.2	11%	0.112	51%	0.506	C	S	.	.	H	α-helix	trans	-60.2	-38.3	177.2	-54.3	-35.4	0	0	0	111.3	L14 T15 L21 L22 T59	L14-D18 HydrophobicContact CB-CB 4.25Å; L14-D18 HydrophobicContact CD2-CB 3.95Å; T15-D18 WeakPolarHBondContact CA-OD2 3.3Å; T15-D18 VanDerWaalsContact CB-OD2 3.3Å; T15-D18 WeakPolarHBondContact CB-OD2 3.5Å; T15-D18 WeakPolarHBondContact CG2-OD2 3.45Å; T15-D18 PolarHBondContact N-OD2 3.14Å; T15-D18 PolarHBondContact O-N 2.96Å; T15-D18 VanDerWaalsContact O-N 3.12Å; T15-D18 PolarHBondContact OG1-N 3.26Å; T15-D18 PolarHBondContact OG1-OD1 3.1Å; T15-D18 PolarHBondContact OG1-OD2 3.48Å; D18-L21 PolarHBondContact O-N 3.39Å; D18-L22 WeakPolarHBondContact O-CB 3.49Å; D18-L22 PolarHBondContact O-N 3.23Å; D18-T59 PolarHBondContact OD1-OG1 2.86Å
19	K	60.5	Low	55.4	Low	122 Å²	122	108.7 Å²	108.7	53%	0.53	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-44	176.5	-67.1	-177.9	-178.2	-176.5	0	112.9	L14 T15 R17 L21 L22 Q23	L14-K19 HydrophobicContact CB-CG 4.31Å; T15-K19 PolarHBondContact O-N 3.35Å; T15-K19 VanDerWaalsContact O-N 3.16Å; R17-K19 PolarHBondContact O-N 3.32Å; K19-L21 VanDerWaalsContact C-N 3.33Å; K19-L22 WeakPolarHBondContact O-CB 3.41Å; K19-L22 PolarHBondContact O-N 3.43Å; K19-Q23 WeakPolarHBondContact O-CG 3.49Å; K19-Q23 PolarHBondContact O-N 3.09Å
20	I	61.7	Low	56.1	Low	88 Å²	88	113.8 Å²	113.8	45%	0.451	50%	0.502	S	S	.	.	H	α-helix	trans	-63.8	-43.7	177.1	-67.9	167.4	0	0	0	109.8	R16 R17 L22 Q23 V24	R16-I20 WeakPolarHBondContact O-CG1 3.38Å; R16-I20 PolarHBondContact O-N 3.12Å; R17-I20 PolarHBondContact O-N 2.79Å; I20-L22 PolarHBondContact O-N 2.97Å; I20-Q23 WeakPolarHBondContact O-CB 3.34Å; I20-Q23 PolarHBondContact O-N 2.76Å; I20-Q23 VanDerWaalsContact O-N 3.1Å; I20-V24 WeakPolarHBondContact O-CG2 3.45Å; I20-V24 PolarHBondContact O-N 3.34Å
21	L	57.8	Low	55.9	Low	25 Å²	25	107.4 Å²	107.4	13%	0.131	48%	0.477	C	S	.	.	H	α-helix	trans	-62.8	-43.7	177.3	-174.9	62.8	0	0	0	111.8	R17 D18 K19 Q23 V24 M25 M57 T59 I66	R17-L21 PolarHBondContact O-N 2.96Å; D18-L21 PolarHBondContact O-N 3.39Å; K19-L21 VanDerWaalsContact C-N 3.33Å; L21-Q23 VanDerWaalsContact C-N 3.26Å; L21-Q23 PolarHBondContact O-N 3.45Å; L21-V24 PolarHBondContact O-N 3.17Å; L21-M25 HydrophobicContact CD1-CE 3.99Å; L21-M25 HydrophobicContact CD1-CG 4.34Å; L21-M25 HydrophobicContact CG-CG 4.35Å; L21-M25 WeakPolarHBondContact O-CB 3.32Å; L21-M25 VanDerWaalsContact O-CG 3.22Å; L21-M25 WeakPolarHBondContact O-CG 3.34Å; L21-M25 PolarHBondContact O-N 3.32Å; L21-M57 HydrophobicContact CD2-CE 3.28Å; L21-M57 HydrophobicContact CD2-CG 4.38Å; L21-M57 HydrophobicContact CD2-SD 3.55Å; L21-M57 VanDerWaalsContact CD2-SD 3.55Å; L21-T59 HydrophobicContact CD2-CG2 4.48Å; L21-I66 HydrophobicContact CD1-CD1 3.34Å
22	L	57.9	Low	55.9	Low	52 Å²	52	108.5 Å²	108.5	27%	0.272	48%	0.477	S	S	.	.	H	α-helix	trans	-57.5	-37.6	171.9	-91.3	155.4	0	0	0	112.2	L14 D18 K19 I20 R26	L14-L22 HydrophobicContact CD1-CD1 3.9Å; L14-L22 HydrophobicContact CD2-CD1 4.32Å; D18-L22 WeakPolarHBondContact O-CB 3.49Å; D18-L22 PolarHBondContact O-N 3.23Å; K19-L22 WeakPolarHBondContact O-CB 3.41Å; K19-L22 PolarHBondContact O-N 3.43Å; I20-L22 PolarHBondContact O-N 2.97Å; L22-R26 VanDerWaalsContact O-CB 3.24Å; L22-R26 WeakPolarHBondContact O-CB 3.19Å; L22-R26 WeakPolarHBondContact O-CG 3.24Å; L22-R26 PolarHBondContact O-N 2.83Å
23	Q	61	Low	55.4	Low	130 Å²	130	104.6 Å²	104.6	61%	0.607	46%	0.462	S	S	*	.	H	α-helix	trans	-67	-46.7	175.4	-75.6	175.8	-17.4	0	0	112	K19 I20 L21 M25 R26 W27	K19-Q23 WeakPolarHBondContact O-CG 3.49Å; K19-Q23 PolarHBondContact O-N 3.09Å; I20-Q23 WeakPolarHBondContact O-CB 3.34Å; I20-Q23 PolarHBondContact O-N 2.76Å; I20-Q23 VanDerWaalsContact O-N 3.1Å; L21-Q23 VanDerWaalsContact C-N 3.26Å; L21-Q23 PolarHBondContact O-N 3.45Å; Q23-M25 VanDerWaalsContact C-N 3.31Å; Q23-M25 PolarHBondContact O-N 2.9Å; Q23-R26 PolarHBondContact O-N 3.32Å; Q23-W27 WeakPolarHBondContact O-CB 3.4Å; Q23-W27 PolarHBondContact O-N 2.82Å
24	V	57.8	Low	55	Low	47 Å²	47	97.6 Å²	97.6	29%	0.285	44%	0.441	S	S	.	.	H	α-helix	trans	-60.4	-44.3	175.9	174.3	0	0	0	0	110.4	I20 L21 W27 A28 I68	I20-V24 WeakPolarHBondContact O-CG2 3.45Å; I20-V24 PolarHBondContact O-N 3.34Å; L21-V24 PolarHBondContact O-N 3.17Å; V24-W27 PolarHBondContact O-N 3.46Å; V24-A28 VanDerWaalsContact O-CB 3.32Å; V24-A28 WeakPolarHBondContact O-CB 3.45Å; V24-A28 PolarHBondContact O-N 3.18Å; V24-I68 HydrophobicContact CG1-CD1 4.24Å
25	M	57.4	Low	54.6	Low	30 Å²	30	99.5 Å²	99.5	15%	0.148	45%	0.451	C	S	.	.	H	α-helix	trans	-68	-38.2	178.5	-70.5	-64.7	175.6	0	0	112.5	L21 Q23 A28 M29 I66 L75 V77	L21-M25 HydrophobicContact CD1-CE 3.99Å; L21-M25 HydrophobicContact CD1-CG 4.34Å; L21-M25 HydrophobicContact CG-CG 4.35Å; L21-M25 WeakPolarHBondContact O-CB 3.32Å; L21-M25 VanDerWaalsContact O-CG 3.22Å; L21-M25 WeakPolarHBondContact O-CG 3.34Å; L21-M25 PolarHBondContact O-N 3.32Å; Q23-M25 VanDerWaalsContact C-N 3.31Å; Q23-M25 PolarHBondContact O-N 2.9Å; M25-A28 PolarHBondContact O-N 2.82Å; M25-M29 HydrophobicContact CB-CE 3.94Å; M25-M29 VanDerWaalsContact O-CB 3.28Å; M25-M29 WeakPolarHBondContact O-CB 3.44Å; M25-M29 VanDerWaalsContact O-CG 3.31Å; M25-M29 WeakPolarHBondContact O-CG 3.22Å; M25-M29 PolarHBondContact O-N 3.25Å; M25-I66 HydrophobicContact CE-CD1 4.46Å; M25-L75 HydrophobicContact CE-CD2 4.12Å; M25-L75 HydrophobicContact SD-CD2 3.82Å; M25-V77 HydrophobicContact CE-CG2 4.02Å
26	R	58	Low	53.3	Low	169 Å²	169	97.8 Å²	97.8	64%	0.638	44%	0.441	S	S	*	.	H	α-helix	trans	-64.3	-41.4	172.8	-81.6	173.5	170.8	-176.2	-2.9	111.7	L22 Q23 R30	L22-R26 VanDerWaalsContact O-CB 3.24Å; L22-R26 WeakPolarHBondContact O-CB 3.19Å; L22-R26 WeakPolarHBondContact O-CG 3.24Å; L22-R26 PolarHBondContact O-N 2.83Å; Q23-R26 PolarHBondContact O-N 3.32Å; R26-R30 WeakPolarHBondContact O-CG 3.37Å; R26-R30 PolarHBondContact O-N 2.94Å
27	W	58.7	Low	52.7	Low	149 Å²	149	96.6 Å²	96.6	56%	0.564	44%	0.442	S	S	*	.	H	α-helix	trans	-63.4	-44.2	175.1	177.4	87.8	0	0	0	111.1	Q23 V24 I68	Q23-W27 WeakPolarHBondContact O-CB 3.4Å; Q23-W27 PolarHBondContact O-N 2.82Å; V24-W27 PolarHBondContact O-N 3.46Å; W27-I68 HydrophobicContact CZ3-CD1 4.04Å; W27-I68 HydrophobicContact CZ3-CG2 4.26Å
28	A	52.2	Low	52.2	Low	2 Å²	2	92.6 Å²	92.6	2%	0.017	44%	0.436	C	S	.	.	H	α-helix	trans	-60.7	-54.3	174.4	0	0	0	0	0	110.8	V24 M25 R30 S31 V33 L75	V24-A28 VanDerWaalsContact O-CB 3.32Å; V24-A28 WeakPolarHBondContact O-CB 3.45Å; V24-A28 PolarHBondContact O-N 3.18Å; M25-A28 PolarHBondContact O-N 2.82Å; A28-R30 VanDerWaalsContact C-N 3.32Å; A28-R30 PolarHBondContact O-N 2.89Å; A28-S31 CarbonylContact O-C 3.6Å; A28-S31 WeakPolarHBondContact O-CA 3.32Å; A28-S31 WeakPolarHBondContact O-CB 3.33Å; A28-S31 PolarHBondContact O-N 2.82Å; A28-V33 HydrophobicContact CB-CG2 4.02Å; A28-V33 WeakPolarHBondContact O-CG2 3.3Å; A28-L75 HydrophobicContact CB-CD2 4.42Å
29	M	51.4	Low	51.7	Low	89 Å²	89	93.2 Å²	93.2	44%	0.438	44%	0.444	S	S	.	.	H	α-helix	trans	-66	-22.3	-177.5	-74.5	-169.7	-95.4	0	0	115	M25 S31 V55	M25-M29 HydrophobicContact CB-CE 3.94Å; M25-M29 VanDerWaalsContact O-CB 3.28Å; M25-M29 WeakPolarHBondContact O-CB 3.44Å; M25-M29 VanDerWaalsContact O-CG 3.31Å; M25-M29 WeakPolarHBondContact O-CG 3.22Å; M25-M29 PolarHBondContact O-N 3.25Å; M29-S31 CarbonylContact C-O 3.42Å; M29-S31 PolarHBondContact O-N 3.28Å; M29-V55 HydrophobicContact CE-CB 4.44Å
30	R	52.2	Low	51.1	Low	229 Å²	229	98.1 Å²	98.1	86%	0.864	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-16.3	169.2	-80.6	-178.9	81.9	100.5	-3.8	112.7	R26 A28	R26-R30 WeakPolarHBondContact O-CG 3.37Å; R26-R30 PolarHBondContact O-N 2.94Å; A28-R30 VanDerWaalsContact C-N 3.32Å; A28-R30 PolarHBondContact O-N 2.89Å
31	S	41.2	Very low	50.2	Low	22 Å²	22	98.4 Å²	98.4	15%	0.154	47%	0.468	C	S	.	.	S	Bend	trans	-105.5	151.3	171.1	-60.1	0	0	0	0	108.8	A28 M29 V33 K73	A28-S31 CarbonylContact O-C 3.6Å; A28-S31 WeakPolarHBondContact O-CA 3.32Å; A28-S31 WeakPolarHBondContact O-CB 3.33Å; A28-S31 PolarHBondContact O-N 2.82Å; M29-S31 CarbonylContact C-O 3.42Å; M29-S31 PolarHBondContact O-N 3.28Å; S31-V33 PolarHBondContact O-N 2.78Å; S31-K73 PolarHBondContact OG-NZ 2.81Å
32	N	42.3	Very low	49.6	Very low	164 Å²	164	104.8 Å²	104.8	88%	0.877	50%	0.495	S	S	*	.			trans	-66.1	79.6	177.1	-68.3	-35.2	0	0	0	111.1
33	V	42.4	Very low	49	Very low	32 Å²	32	104.4 Å²	104.4	19%	0.194	50%	0.5	C	S	.	.			trans	-91	114.6	-179.5	173.3	0	0	0	0	108.5	A28 S31 I35 K73 L75	A28-V33 HydrophobicContact CB-CG2 4.02Å; A28-V33 WeakPolarHBondContact O-CG2 3.3Å; S31-V33 PolarHBondContact O-N 2.78Å; V33-I35 PolarHBondContact O-N 3.4Å; V33-K73 HydrophobicContact CG2-CB 4.21Å; V33-K73 WeakPolarHBondContact CG2-O 3.33Å; V33-L75 HydrophobicContact CG1-CB 3.44Å; V33-L75 VanDerWaalsContact CG1-CB 3.44Å; V33-L75 HydrophobicContact CG1-CD2 4.21Å; V33-L75 HydrophobicContact CG1-CG 4.47Å
34	I	46.9	Very low	48.2	Very low	98 Å²	98	102.3 Å²	102.3	50%	0.503	50%	0.498	S	S	.	.			trans	-80.8	116	176.1	-58.8	168.7	0	0	0	107.5	P36 W74	I34-P36 VanDerWaalsContact O-CD 3.3Å; I34-P36 WeakPolarHBondContact O-CD 3.14Å; I34-W74 HydrophobicContact CB-CE3 3.94Å; I34-W74 HydrophobicContact CB-CH2 3.89Å; I34-W74 HydrophobicContact CB-CZ3 3.46Å; I34-W74 VanDerWaalsContact CB-CZ3 3.46Å; I34-W74 HydrophobicContact CD1-CH2 3.59Å; I34-W74 HydrophobicContact CD1-CZ2 3.91Å; I34-W74 HydrophobicContact CD1-CZ3 4.12Å; I34-W74 HydrophobicContact CG1-CH2 4.34Å; I34-W74 HydrophobicContact CG1-CZ3 4.38Å; I34-W74 HydrophobicContact CG2-CE3 4.28Å; I34-W74 HydrophobicContact CG2-CH2 3.77Å; I34-W74 HydrophobicContact CG2-CZ3 3.39Å
35	I	48	Very low	47.7	Very low	121 Å²	121	101.4 Å²	101.4	62%	0.621	49%	0.491	S	S	*	.			trans	-84.5	113.4	172.9	-58.4	172.2	0	0	0	107.7	V33 K37 A39	V33-I35 PolarHBondContact O-N 3.4Å; I35-K37 PolarHBondContact O-N 2.76Å; I35-A39 HydrophobicContact CG2-CB 4.33Å
36	P	39.2	Very low	47	Very low	37 Å²	37	105 Å²	105	24%	0.24	51%	0.51	C	S	.	.			trans	-64.1	136.8	177.6	22.6	-29.6	0	0	0	110.7	I34 N38 A39	I34-P36 VanDerWaalsContact O-CD 3.3Å; I34-P36 WeakPolarHBondContact O-CD 3.14Å; P36-N38 PolarHBondContact O-N 2.85Å; P36-A39 WeakPolarHBondContact O-CB 3.34Å; P36-A39 PolarHBondContact O-N 3.44Å
37	K	47.8	Very low	46.5	Very low	191 Å²	191	102 Å²	102	83%	0.83	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-50.8	-28.4	-176	-68.7	-177.9	178.8	177.8	0	113.4	I35 A39 R40	I35-K37 PolarHBondContact O-N 2.76Å; K37-A39 VanDerWaalsContact C-N 3.26Å; K37-A39 PolarHBondContact O-N 2.98Å; K37-R40 WeakPolarHBondContact O-CB 3.14Å; K37-R40 PolarHBondContact O-N 3.18Å
38	N	44.2	Very low	45.8	Very low	127 Å²	127	100.5 Å²	100.5	68%	0.679	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-71.4	-16.9	-177	-59.2	-12.8	0	0	0	113.7	P36 R40	P36-N38 PolarHBondContact O-N 2.85Å; N38-R40 VanDerWaalsContact C-N 3.35Å
39	A	47.1	Very low	45.2	Very low	33 Å²	33	107.1 Å²	107.1	27%	0.273	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-82.1	-12.6	175.3	0	0	0	0	0	113.1	I35 P36 K37	I35-A39 HydrophobicContact CG2-CB 4.33Å; P36-A39 WeakPolarHBondContact O-CB 3.34Å; P36-A39 PolarHBondContact O-N 3.44Å; K37-A39 VanDerWaalsContact C-N 3.26Å; K37-A39 PolarHBondContact O-N 2.98Å
40	R	47.8	Very low	45.1	Very low	226 Å²	226	106.5 Å²	106.5	85%	0.853	53%	0.532	S	S	*	.	S	Bend	trans	-80.7	-17.7	-177.5	-138.3	178.7	-158.9	-175.5	5.1	113.7	K37 N38	K37-R40 WeakPolarHBondContact O-CB 3.14Å; K37-R40 PolarHBondContact O-N 3.18Å; N38-R40 VanDerWaalsContact C-N 3.35Å
41	S	42.7	Very low	44.4	Very low	93 Å²	93	100.5 Å²	100.5	65%	0.65	52%	0.518	S	S	*	.	S	Bend	trans	-112.1	-5.2	-166.6	59	0	0	0	0	115.2
42	K	44.9	Very low	44.2	Very low	159 Å²	159	105.5 Å²	105.5	69%	0.691	55%	0.55	S	S	*	.	S	Bend	trans	-111.1	105.1	-175.8	-69.1	-177	-179.4	178.7	0	110.8
43	A	46	Very low	44	Very low	45 Å²	45	100.9 Å²	100.9	37%	0.372	54%	0.54	S	S	.	.	S	Bend	trans	78.3	149.2	178.7	0	0	0	0	0	115.3	I45 L79	A43-I45 PolarHBondContact O-N 3.12Å; A43-L79 HydrophobicContact CB-CD2 3.61Å
44	P	43.5	Very low	43.6	Very low	86 Å²	86	101 Å²	101	56%	0.558	55%	0.545	S	S	*	.			trans	-76.3	72.5	-178.3	33	-33.8	0	0	0	109.4	L46	P44-L46 VanDerWaalsContact C-N 3.3Å; P44-L46 PolarHBondContact O-N 2.78Å
45	I	47.6	Very low	43.6	Very low	28 Å²	28	99 Å²	99	14%	0.144	54%	0.537	C	S	.	.			trans	-75.7	96.3	157.3	-50.9	176	0	0	0	104.5	A43 F47 M57 F64	A43-I45 PolarHBondContact O-N 3.12Å; I45-F47 VanDerWaalsContact C-N 3.32Å; I45-F47 HydrophobicContact CB-CD2 4.45Å; I45-F47 HydrophobicContact CB-CE2 4.06Å; I45-F47 HydrophobicContact CB-CZ 4.31Å; I45-F47 HydrophobicContact CG2-CD1 4.03Å; I45-F47 HydrophobicContact CG2-CD2 4.11Å; I45-F47 HydrophobicContact CG2-CE1 3.67Å; I45-F47 HydrophobicContact CG2-CE2 3.69Å; I45-F47 HydrophobicContact CG2-CG 4.31Å; I45-F47 HydrophobicContact CG2-CZ 3.49Å; I45-F47 VanDerWaalsContact CG2-CZ 3.49Å; I45-F47 PolarHBondContact O-N 3.1Å; I45-M57 HydrophobicContact CG2-CE 4.24Å; I45-M57 HydrophobicContact CG2-CG 3.59Å; I45-M57 HydrophobicContact CG2-SD 3.72Å; I45-F64 HydrophobicContact CD1-CD1 4.16Å; I45-F64 HydrophobicContact CD1-CE1 3.45Å; I45-F64 VanDerWaalsContact CD1-CE1 3.45Å; I45-F64 HydrophobicContact CD1-CZ 4.26Å; I45-F64 HydrophobicContact CG1-CE1 3.71Å; I45-F64 HydrophobicContact CG1-CZ 4.08Å
46	L	43.8	Very low	43.4	Very low	105 Å²	105	97.1 Å²	97.1	55%	0.55	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	97.9	173.7	-71.5	168.6	0	0	0	107.2	P44 H48 K58	P44-L46 VanDerWaalsContact C-N 3.3Å; P44-L46 PolarHBondContact O-N 2.78Å; L46-H48 PolarHBondContact O-N 3.11Å; L46-K58 PolarHBondContact O-N 2.85Å
47	F	46.7	Very low	43.9	Very low	106 Å²	106	96.5 Å²	96.5	47%	0.465	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	104	162.7	-68	-55.7	0	0	0	107.4	I45 V55 R56 M57	I45-F47 VanDerWaalsContact C-N 3.32Å; I45-F47 HydrophobicContact CB-CD2 4.45Å; I45-F47 HydrophobicContact CB-CE2 4.06Å; I45-F47 HydrophobicContact CB-CZ 4.31Å; I45-F47 HydrophobicContact CG2-CD1 4.03Å; I45-F47 HydrophobicContact CG2-CD2 4.11Å; I45-F47 HydrophobicContact CG2-CE1 3.67Å; I45-F47 HydrophobicContact CG2-CE2 3.69Å; I45-F47 HydrophobicContact CG2-CG 4.31Å; I45-F47 HydrophobicContact CG2-CZ 3.49Å; I45-F47 VanDerWaalsContact CG2-CZ 3.49Å; I45-F47 PolarHBondContact O-N 3.1Å; F47-V55 HydrophobicContact CB-CG1 3.61Å; F47-V55 HydrophobicContact CD1-CG1 3.07Å; F47-V55 HydrophobicContact CE1-CG1 3.85Å; F47-V55 HydrophobicContact CG-CG1 3.6Å; F47-R56 CarbonylContact C-O 3.57Å; F47-R56 VanDerWaalsContact CA-O 3.3Å; F47-R56 WeakPolarHBondContact CA-O 3.45Å; F47-M57 HydrophobicContact CD1-CB 4.23Å; F47-M57 HydrophobicContact CE1-CB 4.14Å; F47-M57 HydrophobicContact CE1-CG 4.23Å; F47-M57 HydrophobicContact CE1-SD 3.93Å; F47-M57 HydrophobicContact CZ-SD 4.42Å
48	H	44.1	Very low	44	Very low	118 Å²	118	90.7 Å²	90.7	55%	0.546	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.9	168.7	-161.1	-75.2	0	0	0	107.8	L46 V50 R56	L46-H48 PolarHBondContact O-N 3.11Å; H48-V50 PolarHBondContact O-N 3.1Å; H48-R56 HydrophobicContact CB-CB 4.33Å; H48-R56 PolarHBondContact N-O 2.83Å; H48-R56 WeakPolarHBondContact O-CB 3.22Å; H48-R56 PolarHBondContact O-N 3.27Å
49	E	39.3	Very low	44.3	Very low	141 Å²	141	86.5 Å²	86.5	66%	0.659	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	120.3	169.6	-163.6	162.7	-169.1	0	0	107.3
50	V	49.8	Very low	44.8	Very low	75 Å²	75	91.5 Å²	91.5	46%	0.455	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-28.1	178.9	179.4	0	0	0	0	110.1	H48 A54 R56	H48-V50 PolarHBondContact O-N 3.1Å; V50-A54 HydrophobicContact CB-CB 4.43Å; V50-A54 PolarHBondContact N-O 3.03Å; V50-R56 HydrophobicContact CG2-CB 3.48Å; V50-R56 VanDerWaalsContact CG2-CB 3.48Å; V50-R56 HydrophobicContact CG2-CG 4.37Å
51	D	36.4	Very low	45.3	Very low	104 Å²	104	84.4 Å²	84.4	56%	0.556	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.2	160	175.6	-74.4	-52.6	0	0	0	108.9	G53 A54	D51-G53 PolarHBondContact O-N 2.9Å; D51-A54 HydrophobicContact CB-CB 4.04Å; D51-A54 PolarHBondContact O-N 3.39Å
52	P	38.3	Very low	46.1	Very low	127 Å²	127	82.5 Å²	82.5	83%	0.825	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	101.3	170.6	22.4	-30.8	0	0	0	109.9
53	G	36.8	Very low	46.8	Very low	66 Å²	66	81.7 Å²	81.7	68%	0.68	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.6	-3.9	-175.3	0	0	0	0	0	115.6	D51	D51-G53 PolarHBondContact O-N 2.9Å
54	A	35.9	Very low	47.6	Very low	35 Å²	35	81.5 Å²	81.5	29%	0.289	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	110.8	177.5	0	0	0	0	0	111.6	V50 D51	V50-A54 HydrophobicContact CB-CB 4.43Å; V50-A54 PolarHBondContact N-O 3.03Å; D51-A54 HydrophobicContact CB-CB 4.04Å; D51-A54 PolarHBondContact O-N 3.39Å
55	V	46.1	Very low	48.6	Very low	56 Å²	56	79.5 Å²	79.5	34%	0.339	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.7	173.6	175.4	0	0	0	0	109.3	M29 F47	M29-V55 HydrophobicContact CE-CB 4.44Å; F47-V55 HydrophobicContact CB-CG1 3.61Å; F47-V55 HydrophobicContact CD1-CG1 3.07Å; F47-V55 HydrophobicContact CE1-CG1 3.85Å; F47-V55 HydrophobicContact CG-CG1 3.6Å
56	R	43.7	Very low	49.5	Very low	81 Å²	81	80.5 Å²	80.5	31%	0.306	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123	173.2	173.3	179.1	169.3	-171.5	-0.6	109.4	E12 F47 H48 V50 K58	E12-R56 IonicContact OE2-NH2 3.12Å; E12-R56 PolarHBondContact OE2-NH2 2.94Å; E12-R56 VanDerWaalsContact OE2-NH2 3.12Å; F47-R56 CarbonylContact C-O 3.57Å; F47-R56 VanDerWaalsContact CA-O 3.3Å; F47-R56 WeakPolarHBondContact CA-O 3.45Å; H48-R56 HydrophobicContact CB-CB 4.33Å; H48-R56 PolarHBondContact N-O 2.83Å; H48-R56 WeakPolarHBondContact O-CB 3.22Å; H48-R56 PolarHBondContact O-N 3.27Å; V50-R56 HydrophobicContact CG2-CB 3.48Å; V50-R56 VanDerWaalsContact CG2-CB 3.48Å; V50-R56 HydrophobicContact CG2-CG 4.37Å; R56-K58 VanDerWaalsContact NH2-CE 3.29Å
57	M	49.6	Very low	50.6	Low	24 Å²	24	78 Å²	78	12%	0.118	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.9	176.4	179.2	163.8	147.9	0	0	109.8	L21 I45 F47 T59 F64	L21-M57 HydrophobicContact CD2-CE 3.28Å; L21-M57 HydrophobicContact CD2-CG 4.38Å; L21-M57 HydrophobicContact CD2-SD 3.55Å; L21-M57 VanDerWaalsContact CD2-SD 3.55Å; I45-M57 HydrophobicContact CG2-CE 4.24Å; I45-M57 HydrophobicContact CG2-CG 3.59Å; I45-M57 HydrophobicContact CG2-SD 3.72Å; F47-M57 HydrophobicContact CD1-CB 4.23Å; F47-M57 HydrophobicContact CE1-CB 4.14Å; F47-M57 HydrophobicContact CE1-CG 4.23Å; F47-M57 HydrophobicContact CE1-SD 3.93Å; F47-M57 HydrophobicContact CZ-SD 4.42Å; M57-T59 HydrophobicContact CE-CG2 3.38Å; M57-T59 HydrophobicContact CG-CG2 4.03Å; M57-F64 HydrophobicContact CE-CD1 3.94Å; M57-F64 HydrophobicContact CE-CD2 3.33Å; M57-F64 HydrophobicContact CE-CE1 3.77Å; M57-F64 HydrophobicContact CE-CE2 3.16Å; M57-F64 HydrophobicContact CE-CG 3.74Å; M57-F64 HydrophobicContact CE-CZ 3.37Å
58	K	49.4	Very low	51.4	Low	69 Å²	69	75.8 Å²	75.8	30%	0.3	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115	169.5	-65.4	-163.5	-175.3	-153.7	0	109.5	E12 L46 R56	E12-K58 IonicContact OE1-NZ 2.79Å; E12-K58 WeakPolarHBondContact OE2-CE 3.44Å; E12-K58 IonicContact OE2-NZ 3.74Å; E12-K58 PolarHBondContact OE2-NZ 3.37Å; L46-K58 PolarHBondContact O-N 2.85Å; R56-K58 VanDerWaalsContact NH2-CE 3.29Å
59	T	51.3	Low	52.4	Low	40 Å²	40	73.4 Å²	73.4	25%	0.245	41%	0.414	C	S	.	.			trans	-98.6	105.6	174.9	63.3	0	0	0	0	110.7	D18 L21 M57 G61 F64	D18-T59 PolarHBondContact OD1-OG1 2.86Å; L21-T59 HydrophobicContact CD2-CG2 4.48Å; M57-T59 HydrophobicContact CE-CG2 3.38Å; M57-T59 HydrophobicContact CG-CG2 4.03Å; T59-G61 VanDerWaalsContact C-N 3.26Å; T59-G61 PolarHBondContact O-N 3.29Å; T59-F64 HydrophobicContact CG2-CD2 4.07Å; T59-F64 HydrophobicContact CG2-CE2 3.35Å; T59-F64 HydrophobicContact CG2-CZ 4.15Å
60	L	57.2	Low	53.5	Low	137 Å²	137	71.8 Å²	71.8	72%	0.717	42%	0.418	S	S	*	.	S	Bend	trans	-80.3	68.6	176.3	-68.3	171.8	0	0	0	110.9	Q62	L60-Q62 PolarHBondContact O-N 2.96Å; L60-Q62 VanDerWaalsContact O-N 3.09Å
61	G	58.1	Low	53.7	Low	78 Å²	78	73.7 Å²	73.7	80%	0.804	43%	0.433	S	S	*	.	S	Bend	trans	67.5	10.2	-179.1	0	0	0	0	0	114.7	T59	T59-G61 VanDerWaalsContact C-N 3.26Å; T59-G61 PolarHBondContact O-N 3.29Å
62	Q	59.8	Low	54.9	Low	52 Å²	52	70.9 Å²	70.9	24%	0.243	42%	0.421	C	S	.	.			trans	-80.8	140.1	-177.6	-74.7	-177.6	-17.2	0	0	111.4	L60 F64 L79	L60-Q62 PolarHBondContact O-N 2.96Å; L60-Q62 VanDerWaalsContact O-N 3.09Å; Q62-F64 HydrophobicContact CB-CE2 3.74Å; Q62-F64 HydrophobicContact CB-CZ 3.72Å; Q62-L79 HydrophobicContact CB-CD1 3.51Å; Q62-L79 HydrophobicContact CG-CD1 3.67Å
63	R	58.6	Low	55.9	Low	143 Å²	143	68.9 Å²	68.9	54%	0.54	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.2	172.9	-57.4	175.8	-172.2	170.9	2.6	108.4	A80 A83	R63-A80 HydrophobicContact CB-CB 4.11Å; R63-A80 WeakPolarHBondContact CB-O 3.01Å; R63-A80 PolarHBondContact O-N 3.2Å; R63-A83 VanDerWaalsContact NH1-CB 3.28Å
64	F	64.4	Low	56.8	Low	41 Å²	41	71.6 Å²	71.6	18%	0.18	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136	178.4	-62.4	-83.9	0	0	0	109.2	I45 M57 T59 Q62 I66 V77 L78 L79	I45-F64 HydrophobicContact CD1-CD1 4.16Å; I45-F64 HydrophobicContact CD1-CE1 3.45Å; I45-F64 VanDerWaalsContact CD1-CE1 3.45Å; I45-F64 HydrophobicContact CD1-CZ 4.26Å; I45-F64 HydrophobicContact CG1-CE1 3.71Å; I45-F64 HydrophobicContact CG1-CZ 4.08Å; M57-F64 HydrophobicContact CE-CD1 3.94Å; M57-F64 HydrophobicContact CE-CD2 3.33Å; M57-F64 HydrophobicContact CE-CE1 3.77Å; M57-F64 HydrophobicContact CE-CE2 3.16Å; M57-F64 HydrophobicContact CE-CG 3.74Å; M57-F64 HydrophobicContact CE-CZ 3.37Å; T59-F64 HydrophobicContact CG2-CD2 4.07Å; T59-F64 HydrophobicContact CG2-CE2 3.35Å; T59-F64 HydrophobicContact CG2-CZ 4.15Å; Q62-F64 HydrophobicContact CB-CE2 3.74Å; Q62-F64 HydrophobicContact CB-CZ 3.72Å; F64-I66 HydrophobicContact CB-CG1 4.39Å; F64-V77 HydrophobicContact CB-CG1 4.13Å; F64-V77 HydrophobicContact CD1-CG1 3.76Å; F64-V77 HydrophobicContact CG-CG1 4.29Å; F64-L78 CarbonylContact C-O 3.58Å; F64-L78 WeakPolarHBondContact CA-O 3.27Å; F64-L79 HydrophobicContact CD1-CD1 4.45Å; F64-L79 HydrophobicContact CE1-CD1 3.9Å; F64-L79 HydrophobicContact CZ-CD1 4.1Å
65	F	63.3	Low	58.2	Low	43 Å²	43	70.6 Å²	70.6	19%	0.189	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.6	167.7	-174.6	-112.8	0	0	0	107.5	V67 V77 L78 T87 N90 V91 L94	F65-V67 HydrophobicContact CD1-CG2 3.83Å; F65-V67 HydrophobicContact CE1-CG2 3.11Å; F65-V67 HydrophobicContact CZ-CG2 3.57Å; F65-V77 CarbonylContact O-C 3.59Å; F65-V77 WeakPolarHBondContact O-CA 3.45Å; F65-L78 HydrophobicContact CB-CB 4.32Å; F65-L78 HydrophobicContact CD1-CD1 4.36Å; F65-L78 PolarHBondContact N-O 3.38Å; F65-L78 PolarHBondContact O-N 2.76Å; F65-T87 HydrophobicContact CD2-CG2 3.59Å; F65-T87 HydrophobicContact CE2-CG2 3.64Å; F65-T87 HydrophobicContact CG-CG2 4.3Å; F65-T87 HydrophobicContact CZ-CG2 4.39Å; F65-N90 HydrophobicContact CD1-CB 4.27Å; F65-V91 HydrophobicContact CD1-CG2 4.39Å; F65-V91 HydrophobicContact CE1-CB 4.46Å; F65-V91 HydrophobicContact CE1-CG2 3.34Å; F65-V91 HydrophobicContact CE2-CG2 3.92Å; F65-V91 HydrophobicContact CZ-CB 4.49Å; F65-V91 HydrophobicContact CZ-CG2 3.09Å; F65-L94 HydrophobicContact CD1-CD1 4.36Å; F65-L94 HydrophobicContact CE1-CD1 4.05Å
66	I	68	Low	59.1	Low	49 Å²	49	70.5 Å²	70.5	25%	0.251	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.2	-174.6	-57.4	176.2	0	0	0	107.4	L21 M25 F64 I68 L75 E76 V77	L21-I66 HydrophobicContact CD1-CD1 3.34Å; M25-I66 HydrophobicContact CE-CD1 4.46Å; F64-I66 HydrophobicContact CB-CG1 4.39Å; I66-I68 HydrophobicContact CG2-CD1 4.38Å; I66-I68 HydrophobicContact CG2-CG1 4.06Å; I66-L75 HydrophobicContact CG2-CD1 3.31Å; I66-L75 HydrophobicContact CG2-CG 4.49Å; I66-E76 CarbonylContact C-O 3.54Å; I66-E76 WeakPolarHBondContact CA-O 3.4Å; I66-V77 HydrophobicContact CG1-CG1 4.37Å; I66-V77 HydrophobicContact CG1-CG2 4.38Å
67	V	66.2	Low	60.2	Low	52 Å²	52	68.2 Å²	68.2	32%	0.315	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.7	172	-179.9	0	0	0	0	108.3	F65 E76 L94	F65-V67 HydrophobicContact CD1-CG2 3.83Å; F65-V67 HydrophobicContact CE1-CG2 3.11Å; F65-V67 HydrophobicContact CZ-CG2 3.57Å; V67-E76 PolarHBondContact N-O 3.49Å; V67-E76 PolarHBondContact O-N 2.94Å; V67-L94 HydrophobicContact CB-CD1 4.03Å; V67-L94 HydrophobicContact CG2-CD1 3.44Å; V67-L94 VanDerWaalsContact CG2-CD1 3.44Å
68	I	64.4	Low	60.8	Low	61 Å²	61	69.2 Å²	69.2	31%	0.313	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119	176.6	-54.7	-179.7	0	0	0	106.7	V24 W27 I66 S70 W74 L75	V24-I68 HydrophobicContact CG1-CD1 4.24Å; W27-I68 HydrophobicContact CZ3-CD1 4.04Å; W27-I68 HydrophobicContact CZ3-CG2 4.26Å; I66-I68 HydrophobicContact CG2-CD1 4.38Å; I66-I68 HydrophobicContact CG2-CG1 4.06Å; I68-S70 PolarHBondContact O-N 3.4Å; I68-W74 VanDerWaalsContact CA-O 3.32Å; I68-W74 WeakPolarHBondContact CA-O 3.4Å; I68-L75 HydrophobicContact CD1-CD1 3.97Å; I68-L75 HydrophobicContact CG1-CD1 3.59Å
69	D	64.8	Low	61.4	Low	68 Å²	68	68.5 Å²	68.5	36%	0.364	38%	0.375	S	S	.	.			trans	-71.7	123.2	165.3	174.6	40.2	0	0	0	109.2	C71 S72 K73 W74	D69-C71 VanDerWaalsContact C-N 3.26Å; D69-C71 PolarHBondContact O-N 2.96Å; D69-C71 PolarHBondContact OD1-N 2.97Å; D69-S72 VanDerWaalsContact CB-OG 3.31Å; D69-S72 WeakPolarHBondContact CB-OG 3.19Å; D69-S72 VanDerWaalsContact CG-OG 3.27Å; D69-S72 WeakPolarHBondContact OD2-CB 3.28Å; D69-S72 PolarHBondContact OD2-N 2.85Å; D69-S72 PolarHBondContact OD2-OG 2.76Å; D69-K73 WeakPolarHBondContact O-CA 3.31Å; D69-K73 PolarHBondContact O-N 3.17Å; D69-W74 HydrophobicContact CB-CB 4.29Å; D69-W74 PolarHBondContact N-O 3.33Å
70	S	62	Low	61.8	Low	106 Å²	106	67 Å²	67	74%	0.741	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.5	-176.3	65.1	0	0	0	0	113.3	I68	I68-S70 PolarHBondContact O-N 3.4Å
71	C	54.2	Low	61.9	Low	115 Å²	115	70.9 Å²	70.9	78%	0.777	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-49.3	-174.2	-70.2	0	0	0	0	112.4	D69	D69-C71 VanDerWaalsContact C-N 3.26Å; D69-C71 PolarHBondContact O-N 2.96Å; D69-C71 PolarHBondContact OD1-N 2.97Å
72	S	61.2	Low	61.8	Low	45 Å²	45	70.4 Å²	70.4	32%	0.315	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-16	-176.6	61.9	0	0	0	0	114.4	D69 W74	D69-S72 VanDerWaalsContact CB-OG 3.31Å; D69-S72 WeakPolarHBondContact CB-OG 3.19Å; D69-S72 VanDerWaalsContact CG-OG 3.27Å; D69-S72 WeakPolarHBondContact OD2-CB 3.28Å; D69-S72 PolarHBondContact OD2-N 2.85Å; D69-S72 PolarHBondContact OD2-OG 2.76Å; S72-W74 PolarHBondContact O-N 2.86Å; S72-W74 WeakPolarHBondContact OG-CB 3.32Å; S72-W74 VanDerWaalsContact OG-CG 3.27Å; S72-W74 PolarHBondContact OG-N 2.85Å
73	K	58.5	Low	61.7	Low	86 Å²	86	70.7 Å²	70.7	37%	0.374	36%	0.364	S	S	.	.			trans	60.9	24.9	-168.3	-46.4	178.5	-178.7	178.4	0	112.9	S31 V33 D69 L75	S31-K73 PolarHBondContact OG-NZ 2.81Å; V33-K73 HydrophobicContact CG2-CB 4.21Å; V33-K73 WeakPolarHBondContact CG2-O 3.33Å; D69-K73 WeakPolarHBondContact O-CA 3.31Å; D69-K73 PolarHBondContact O-N 3.17Å; K73-L75 PolarHBondContact O-N 2.91Å
74	W	56.5	Low	61.4	Low	123 Å²	123	68.8 Å²	68.8	47%	0.466	37%	0.369	S	S	.	.			trans	-61.5	124.5	169.4	-71.4	120	0	0	0	109.6	I34 I68 D69 S72	I34-W74 HydrophobicContact CB-CE3 3.94Å; I34-W74 HydrophobicContact CB-CH2 3.89Å; I34-W74 HydrophobicContact CB-CZ3 3.46Å; I34-W74 VanDerWaalsContact CB-CZ3 3.46Å; I34-W74 HydrophobicContact CD1-CH2 3.59Å; I34-W74 HydrophobicContact CD1-CZ2 3.91Å; I34-W74 HydrophobicContact CD1-CZ3 4.12Å; I34-W74 HydrophobicContact CG1-CH2 4.34Å; I34-W74 HydrophobicContact CG1-CZ3 4.38Å; I34-W74 HydrophobicContact CG2-CE3 4.28Å; I34-W74 HydrophobicContact CG2-CH2 3.77Å; I34-W74 HydrophobicContact CG2-CZ3 3.39Å; I68-W74 VanDerWaalsContact CA-O 3.32Å; I68-W74 WeakPolarHBondContact CA-O 3.4Å; D69-W74 HydrophobicContact CB-CB 4.29Å; D69-W74 PolarHBondContact N-O 3.33Å; S72-W74 PolarHBondContact O-N 2.86Å; S72-W74 WeakPolarHBondContact OG-CB 3.32Å; S72-W74 VanDerWaalsContact OG-CG 3.27Å; S72-W74 PolarHBondContact OG-N 2.85Å
75	L	64.4	Low	60.7	Low	14 Å²	14	71.2 Å²	71.2	7%	0.073	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.7	178.6	179.2	76	0	0	0	109.4	M25 A28 V33 I66 I68 K73 V77	M25-L75 HydrophobicContact CE-CD2 4.12Å; M25-L75 HydrophobicContact SD-CD2 3.82Å; A28-L75 HydrophobicContact CB-CD2 4.42Å; V33-L75 HydrophobicContact CG1-CB 3.44Å; V33-L75 VanDerWaalsContact CG1-CB 3.44Å; V33-L75 HydrophobicContact CG1-CD2 4.21Å; V33-L75 HydrophobicContact CG1-CG 4.47Å; I66-L75 HydrophobicContact CG2-CD1 3.31Å; I66-L75 HydrophobicContact CG2-CG 4.49Å; I68-L75 HydrophobicContact CD1-CD1 3.97Å; I68-L75 HydrophobicContact CG1-CD1 3.59Å; K73-L75 PolarHBondContact O-N 2.91Å; L75-V77 HydrophobicContact CD1-CG2 4.42Å; L75-V77 HydrophobicContact CD2-CG2 4.13Å; L75-V77 HydrophobicContact CG-CG2 4Å
76	E	65.8	Low	60.2	Low	54 Å²	54	70.1 Å²	70.1	25%	0.252	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.3	169.8	-67.3	-155	-148.4	0	0	110.4	I66 V67 L94 H98	I66-E76 CarbonylContact C-O 3.54Å; I66-E76 WeakPolarHBondContact CA-O 3.4Å; V67-E76 PolarHBondContact N-O 3.49Å; V67-E76 PolarHBondContact O-N 2.94Å; E76-L94 HydrophobicContact CB-CD2 4.31Å; E76-L94 VanDerWaalsContact CD-CD2 3.42Å; E76-L94 HydrophobicContact CG-CD2 4.41Å; E76-L94 WeakPolarHBondContact OE2-CD2 3.49Å; E76-H98 IonicContact OE1-CD2 2.75Å; E76-H98 IonicContact OE1-CE1 3.59Å; E76-H98 IonicContact OE1-NE2 3.95Å; E76-H98 PolarHBondContact OE1-NE2 3.49Å
77	V	65.9	Low	59.5	Low	33 Å²	33	69.4 Å²	69.4	20%	0.2	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.1	179.7	-175.1	0	0	0	0	108.7	M25 F64 F65 I66 L75	M25-V77 HydrophobicContact CE-CG2 4.02Å; F64-V77 HydrophobicContact CB-CG1 4.13Å; F64-V77 HydrophobicContact CD1-CG1 3.76Å; F64-V77 HydrophobicContact CG-CG1 4.29Å; F65-V77 CarbonylContact O-C 3.59Å; F65-V77 WeakPolarHBondContact O-CA 3.45Å; I66-V77 HydrophobicContact CG1-CG1 4.37Å; I66-V77 HydrophobicContact CG1-CG2 4.38Å; L75-V77 HydrophobicContact CD1-CG2 4.42Å; L75-V77 HydrophobicContact CD2-CG2 4.13Å; L75-V77 HydrophobicContact CG-CG2 4Å
78	L	63.8	Low	59	Low	44 Å²	44	72.1 Å²	72.1	23%	0.23	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.3	178.8	-62.3	173.9	0	0	0	110.2	F64 F65 A80 N90 L94	F64-L78 CarbonylContact C-O 3.58Å; F64-L78 WeakPolarHBondContact CA-O 3.27Å; F65-L78 HydrophobicContact CB-CB 4.32Å; F65-L78 HydrophobicContact CD1-CD1 4.36Å; F65-L78 PolarHBondContact N-O 3.38Å; F65-L78 PolarHBondContact O-N 2.76Å; L78-A80 PolarHBondContact O-N 3.42Å; L78-N90 HydrophobicContact CD1-CB 3.6Å; L78-L94 HydrophobicContact CD1-CD1 3.63Å; L78-L94 HydrophobicContact CD1-CD2 4.5Å; L78-L94 HydrophobicContact CD1-CG 4.05Å
79	L	61.4	Low	58.8	Low	54 Å²	54	74.4 Å²	74.4	28%	0.283	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	117.3	171.8	-179	71	0	0	0	109.5	A43 Q62 F64	A43-L79 HydrophobicContact CB-CD2 3.61Å; Q62-L79 HydrophobicContact CB-CD1 3.51Å; Q62-L79 HydrophobicContact CG-CD1 3.67Å; F64-L79 HydrophobicContact CD1-CD1 4.45Å; F64-L79 HydrophobicContact CE1-CD1 3.9Å; F64-L79 HydrophobicContact CZ-CD1 4.1Å
80	A	59.4	Low	58.3	Low	8 Å²	8	72.7 Å²	72.7	7%	0.066	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.1	174.4	0	0	0	0	0	110.4	R63 L78	R63-A80 HydrophobicContact CB-CB 4.11Å; R63-A80 WeakPolarHBondContact CB-O 3.01Å; R63-A80 PolarHBondContact O-N 3.2Å; L78-A80 PolarHBondContact O-N 3.42Å
81	R	60	Low	58.1	Low	220 Å²	220	70 Å²	70	83%	0.83	38%	0.378	S	S	*	.	S	Bend	trans	-78.3	-27.3	178.8	-68.2	-178.4	178.5	-115.8	2.1	112.7
82	T	56.2	Low	58.2	Low	67 Å²	67	67 Å²	67	41%	0.411	36%	0.361	S	S	.	.	S	Bend	trans	-144.2	157	178.5	58.2	0	0	0	0	109.5	T84 T85	T82-T84 PolarHBondContact O-N 3.33Å; T82-T85 PolarHBondContact OG1-OG1 3Å
83	A	56.4	Low	58.1	Low	58 Å²	58	70.9 Å²	70.9	48%	0.479	38%	0.376	S	S	.	.	S	Bend	trans	-69.9	-29.1	-171.9	0	0	0	0	0	114	R63 T87	R63-A83 VanDerWaalsContact NH1-CB 3.28Å; A83-T87 PolarHBondContact O-OG1 2.7Å
84	T	53.1	Low	58.1	Low	104 Å²	104	67.5 Å²	67.5	64%	0.638	36%	0.362	S	S	*	.	S	Bend	trans	-111.2	-50	-158.5	-25.6	0	0	0	0	113.1	T82 I88	T82-T84 PolarHBondContact O-N 3.33Å; T84-I88 WeakPolarHBondContact O-CD1 3.17Å; T84-I88 WeakPolarHBondContact O-CG1 3.43Å
85	T	50.2	Low	58.1	Low	92 Å²	92	64.5 Å²	64.5	56%	0.564	36%	0.355	S	S	*	.	H	α-helix	trans	-86.9	-45.9	-175.4	47	0	0	0	0	112.7	T82 T87 I88 D89	T82-T85 PolarHBondContact OG1-OG1 3Å; T85-T87 PolarHBondContact O-N 2.84Å; T85-I88 PolarHBondContact O-N 3.46Å; T85-I88 VanDerWaalsContact O-N 3.11Å; T85-D89 PolarHBondContact O-N 3.37Å; T85-D89 VanDerWaalsContact O-N 3.1Å
86	A	52.7	Low	57.6	Low	20 Å²	20	68.1 Å²	68.1	17%	0.165	39%	0.387	C	S	.	.	H	α-helix	trans	-61.9	-28.8	178.7	0	0	0	0	0	112.5	N90	A86-N90 WeakPolarHBondContact O-CB 3.41Å; A86-N90 PolarHBondContact O-N 3.46Å; A86-N90 VanDerWaalsContact O-N 3.12Å; A86-N90 PolarHBondContact O-ND2 3.31Å
87	T	52.9	Low	57.4	Low	34 Å²	34	69 Å²	69	21%	0.209	40%	0.404	C	S	.	.	H	α-helix	trans	-69.9	-44.1	176.2	-50.5	0	0	0	0	111.1	F65 A83 T85 N90 V91	F65-T87 HydrophobicContact CD2-CG2 3.59Å; F65-T87 HydrophobicContact CE2-CG2 3.64Å; F65-T87 HydrophobicContact CG-CG2 4.3Å; F65-T87 HydrophobicContact CZ-CG2 4.39Å; A83-T87 PolarHBondContact O-OG1 2.7Å; T85-T87 PolarHBondContact O-N 2.84Å; T87-N90 PolarHBondContact O-N 3.43Å; T87-V91 HydrophobicContact CG2-CG2 4.39Å; T87-V91 WeakPolarHBondContact O-CB 3.44Å; T87-V91 WeakPolarHBondContact O-CG2 3.18Å; T87-V91 PolarHBondContact O-N 3.07Å
88	I	55.5	Low	56.9	Low	109 Å²	109	73.9 Å²	73.9	56%	0.559	42%	0.424	S	S	*	.	H	α-helix	trans	-65.9	-45.2	-179.8	-65.1	167.3	0	0	0	110.5	T84 T85 N90 V91 A92	T84-I88 WeakPolarHBondContact O-CD1 3.17Å; T84-I88 WeakPolarHBondContact O-CG1 3.43Å; T85-I88 PolarHBondContact O-N 3.46Å; T85-I88 VanDerWaalsContact O-N 3.11Å; I88-N90 VanDerWaalsContact C-N 3.34Å; I88-N90 PolarHBondContact O-N 2.9Å; I88-V91 PolarHBondContact O-N 2.48Å; I88-A92 WeakPolarHBondContact O-CB 3.23Å; I88-A92 PolarHBondContact O-N 3.46Å
89	D	59.2	Low	56.1	Low	108 Å²	108	73.7 Å²	73.7	58%	0.578	43%	0.433	S	S	*	.	H	α-helix	trans	-64.9	-40.5	178.8	-65.5	-25.6	0	0	0	111.6	T85 A92 M93	T85-D89 PolarHBondContact O-N 3.37Å; T85-D89 VanDerWaalsContact O-N 3.1Å; D89-A92 PolarHBondContact O-N 3.15Å; D89-M93 WeakPolarHBondContact O-CB 3.22Å; D89-M93 PolarHBondContact O-N 2.75Å
90	N	55.9	Low	55.5	Low	33 Å²	33	77.8 Å²	77.8	18%	0.176	45%	0.454	C	S	.	.	H	α-helix	trans	-66.2	-42.3	176.4	-78.3	-21.7	0	0	0	111.9	F65 L78 A86 T87 I88 L94	F65-N90 HydrophobicContact CD1-CB 4.27Å; L78-N90 HydrophobicContact CD1-CB 3.6Å; A86-N90 WeakPolarHBondContact O-CB 3.41Å; A86-N90 PolarHBondContact O-N 3.46Å; A86-N90 VanDerWaalsContact O-N 3.12Å; A86-N90 PolarHBondContact O-ND2 3.31Å; T87-N90 PolarHBondContact O-N 3.43Å; I88-N90 VanDerWaalsContact C-N 3.34Å; I88-N90 PolarHBondContact O-N 2.9Å; N90-L94 WeakPolarHBondContact O-CB 3.31Å; N90-L94 VanDerWaalsContact O-CG 3.23Å; N90-L94 WeakPolarHBondContact O-CG 3.48Å; N90-L94 PolarHBondContact O-N 3.04Å
91	V	56.9	Low	54.8	Low	49 Å²	49	81.6 Å²	81.6	30%	0.297	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-48.5	173.4	169.6	0	0	0	0	110.5	F65 T87 I88 M93 L94 L95	F65-V91 HydrophobicContact CD1-CG2 4.39Å; F65-V91 HydrophobicContact CE1-CB 4.46Å; F65-V91 HydrophobicContact CE1-CG2 3.34Å; F65-V91 HydrophobicContact CE2-CG2 3.92Å; F65-V91 HydrophobicContact CZ-CB 4.49Å; F65-V91 HydrophobicContact CZ-CG2 3.09Å; T87-V91 HydrophobicContact CG2-CG2 4.39Å; T87-V91 WeakPolarHBondContact O-CB 3.44Å; T87-V91 WeakPolarHBondContact O-CG2 3.18Å; T87-V91 PolarHBondContact O-N 3.07Å; I88-V91 PolarHBondContact O-N 2.48Å; V91-M93 VanDerWaalsContact C-N 3.31Å; V91-M93 PolarHBondContact O-N 3.24Å; V91-L94 PolarHBondContact O-N 3.34Å; V91-L95 HydrophobicContact CG1-CD1 3.63Å; V91-L95 HydrophobicContact CG1-CG 4.14Å; V91-L95 WeakPolarHBondContact O-CB 3.45Å; V91-L95 VanDerWaalsContact O-CG 3.27Å; V91-L95 WeakPolarHBondContact O-CG 2.96Å; V91-L95 PolarHBondContact O-N 2.97Å
92	A	55.5	Low	54	Low	51 Å²	51	79.1 Å²	79.1	42%	0.421	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-41.2	179.9	0	0	0	0	0	111.4	I88 D89 L95 A96	I88-A92 WeakPolarHBondContact O-CB 3.23Å; I88-A92 PolarHBondContact O-N 3.46Å; D89-A92 PolarHBondContact O-N 3.15Å; A92-L95 PolarHBondContact O-N 3.36Å; A92-A96 WeakPolarHBondContact O-CB 3.3Å; A92-A96 PolarHBondContact O-N 2.9Å
93	M	60.3	Low	53	Low	127 Å²	127	80 Å²	80	63%	0.626	49%	0.486	S	S	*	.	H	α-helix	trans	-64.9	-40.4	175.9	-177.1	179.6	147.5	0	0	111.9	D89 V91 A96 A97	D89-M93 WeakPolarHBondContact O-CB 3.22Å; D89-M93 PolarHBondContact O-N 2.75Å; V91-M93 VanDerWaalsContact C-N 3.31Å; V91-M93 PolarHBondContact O-N 3.24Å; M93-A96 PolarHBondContact O-N 3Å; M93-A97 WeakPolarHBondContact O-CB 3.12Å; M93-A97 PolarHBondContact O-N 3.46Å
94	L	58.6	Low	52.1	Low	16 Å²	16	86.4 Å²	86.4	8%	0.084	51%	0.509	C	S	.	.	H	α-helix	trans	-67.3	-45.4	176.4	-75.3	169.9	0	0	0	112.2	F65 V67 E76 L78 N90 V91 A96 A97 H98	F65-L94 HydrophobicContact CD1-CD1 4.36Å; F65-L94 HydrophobicContact CE1-CD1 4.05Å; V67-L94 HydrophobicContact CB-CD1 4.03Å; V67-L94 HydrophobicContact CG2-CD1 3.44Å; V67-L94 VanDerWaalsContact CG2-CD1 3.44Å; E76-L94 HydrophobicContact CB-CD2 4.31Å; E76-L94 VanDerWaalsContact CD-CD2 3.42Å; E76-L94 HydrophobicContact CG-CD2 4.41Å; E76-L94 WeakPolarHBondContact OE2-CD2 3.49Å; L78-L94 HydrophobicContact CD1-CD1 3.63Å; L78-L94 HydrophobicContact CD1-CD2 4.5Å; L78-L94 HydrophobicContact CD1-CG 4.05Å; N90-L94 WeakPolarHBondContact O-CB 3.31Å; N90-L94 VanDerWaalsContact O-CG 3.23Å; N90-L94 WeakPolarHBondContact O-CG 3.48Å; N90-L94 PolarHBondContact O-N 3.04Å; V91-L94 PolarHBondContact O-N 3.34Å; L94-A96 VanDerWaalsContact C-N 3.3Å; L94-A96 PolarHBondContact O-N 2.82Å; L94-A97 PolarHBondContact O-N 3.46Å; L94-H98 PolarHBondContact O-CD2 2.99Å; L94-H98 PolarHBondContact O-N 3.25Å
95	L	55.3	Low	51.2	Low	60 Å²	60	94 Å²	94	31%	0.314	53%	0.533	S	S	.	.	H	α-helix	trans	-64.7	-34.4	175.5	-68.7	176.3	0	0	0	111.9	V91 A92 G99 L100 P101	V91-L95 HydrophobicContact CG1-CD1 3.63Å; V91-L95 HydrophobicContact CG1-CG 4.14Å; V91-L95 WeakPolarHBondContact O-CB 3.45Å; V91-L95 VanDerWaalsContact O-CG 3.27Å; V91-L95 WeakPolarHBondContact O-CG 2.96Å; V91-L95 PolarHBondContact O-N 2.97Å; A92-L95 PolarHBondContact O-N 3.36Å; L95-G99 CarbonylContact O-C 3.06Å; L95-G99 WeakPolarHBondContact O-CA 3.36Å; L95-G99 PolarHBondContact O-N 3.22Å; L95-L100 HydrophobicContact CB-CD2 4.24Å; L95-L100 HydrophobicContact CD1-CD2 4.13Å; L95-L100 HydrophobicContact CD2-CD2 4.48Å; L95-P101 HydrophobicContact CD2-CG 4.29Å
96	A	55.3	Low	51.3	Low	89 Å²	89	94.1 Å²	94.1	74%	0.736	53%	0.532	S	S	*	.	H	α-helix	trans	-70.5	-34.6	174.7	0	0	0	0	0	112.4	A92 M93 L94	A92-A96 WeakPolarHBondContact O-CB 3.3Å; A92-A96 PolarHBondContact O-N 2.9Å; M93-A96 PolarHBondContact O-N 3Å; L94-A96 VanDerWaalsContact C-N 3.3Å; L94-A96 PolarHBondContact O-N 2.82Å
97	A	59.9	Low	51.2	Low	74 Å²	74	97.9 Å²	97.9	61%	0.612	55%	0.551	S	S	*	*	H	α-helix	trans	-76.3	-36.5	179.9	0	0	0	0	0	113.2	M93 L94	M93-A97 WeakPolarHBondContact O-CB 3.12Å; M93-A97 PolarHBondContact O-N 3.46Å; L94-A97 PolarHBondContact O-N 3.46Å
98	H	56.6	Low	51.1	Low	135 Å²	135	101.5 Å²	101.5	63%	0.625	57%	0.57	S	S	*	*	H	α-helix	trans	-109.6	-2.8	-173.5	-62.6	-69.2	0	0	0	114.1	E76 L94	E76-H98 IonicContact OE1-CD2 2.75Å; E76-H98 IonicContact OE1-CE1 3.59Å; E76-H98 IonicContact OE1-NE2 3.95Å; E76-H98 PolarHBondContact OE1-NE2 3.49Å; L94-H98 PolarHBondContact O-CD2 2.99Å; L94-H98 PolarHBondContact O-N 3.25Å
99	G	46.2	Very low	50.9	Low	40 Å²	40	101.1 Å²	101.1	41%	0.412	57%	0.57	S	S	.	*			trans	83.6	162.2	-171	0	0	0	0	0	112.4	L95	L95-G99 CarbonylContact O-C 3.06Å; L95-G99 WeakPolarHBondContact O-CA 3.36Å; L95-G99 PolarHBondContact O-N 3.22Å
100	L	49.8	Very low	50.4	Low	140 Å²	140	100.6 Å²	100.6	73%	0.733	57%	0.57	S	S	*	*			trans	-69.9	136.9	173.4	-68.1	166.1	0	0	0	109.2	L95 N102	L95-L100 HydrophobicContact CB-CD2 4.24Å; L95-L100 HydrophobicContact CD1-CD2 4.13Å; L95-L100 HydrophobicContact CD2-CD2 4.48Å; L100-N102 PolarHBondContact O-N 3.46Å; L100-N102 VanDerWaalsContact O-N 3.15Å
101	P	45.2	Very low	50	Low	87 Å²	87	105.1 Å²	105.1	57%	0.565	60%	0.596	S	S	*	*			trans	-58.4	124.1	170.2	24.4	-31.9	0	0	0	107.8	L95 V103	L95-P101 HydrophobicContact CD2-CG 4.29Å; P101-V103 PolarHBondContact O-N 2.92Å
102	N	42.4	Very low	49.5	Very low	168 Å²	168	109.1 Å²	109.1	90%	0.898	62%	0.618	S	S	*	*	S	Bend	trans	-71.6	12.7	-177.5	-152.1	21	0	0	0	112.8	L100	L100-N102 PolarHBondContact O-N 3.46Å; L100-N102 VanDerWaalsContact O-N 3.15Å
103	V	35.6	Very low	49	Very low	86 Å²	86	113.6 Å²	113.6	52%	0.521	63%	0.633	S	S	.	*			trans	-141.6	109.9	-176.7	-147.8	0	0	0	0	108.3	P101 F105	P101-V103 PolarHBondContact O-N 2.92Å; V103-F105 HydrophobicContact CB-CD2 4.48Å; V103-F105 HydrophobicContact CB-CE2 4.12Å; V103-F105 HydrophobicContact CG1-CD2 3.91Å; V103-F105 HydrophobicContact CG1-CE1 4.18Å; V103-F105 HydrophobicContact CG1-CE2 3.35Å; V103-F105 HydrophobicContact CG1-CZ 3.51Å
104	M	37.2	Very low	48.1	Very low	192 Å²	192	112.5 Å²	112.5	95%	0.946	63%	0.633	S	S	*	*			trans	-85.9	128.7	159.7	-67.7	-172.5	-171.8	0	0	107.2
105	F	34.7	Very low	47.1	Very low	263 Å²	263	121.3 Å²	121.3	100%	1.154	68%	0.683	S	S	*	*			trans	-118.9	0	162.9	-70.3	-69.9	0	0	0	108.8	V103	V103-F105 HydrophobicContact CB-CD2 4.48Å; V103-F105 HydrophobicContact CB-CE2 4.12Å; V103-F105 HydrophobicContact CG1-CD2 3.91Å; V103-F105 HydrophobicContact CG1-CE1 4.18Å; V103-F105 HydrophobicContact CG1-CE2 3.35Å; V103-F105 HydrophobicContact CG1-CZ 3.51Å

Retrieved 105 of 105 residues in 81.2 ms (Link to these results)

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