A0A077YZ76_TRITR Loading...

Zf-C2H2 and zf-H2C2 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ76, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	29.1	Very low	244 Å²	244	147.4 Å²	147.4	100%	1.202	81%	0.805	S	S	*	*				0	107.3	0	-67.8	179.2	128.4	0	0	106.6	S3	M1-S3 PolarHBondContact O-N 3.2Å
2	I	31.8	Very low	29.3	Very low	157 Å²	157	140.4 Å²	140.4	81%	0.805	78%	0.782	S	S	*	*			trans	-68.8	115.5	-159.2	-62.5	169.9	0	0	0	110.4	M4	I2-M4 HydrophobicContact CG2-CG 3.93Å; I2-M4 PolarHBondContact O-N 3.31Å
3	S	25.4	Very low	29.4	Very low	106 Å²	106	141.8 Å²	141.8	74%	0.741	78%	0.784	S	S	*	*			trans	-65.8	106.8	160.1	49.5	0	0	0	0	109.1	M1	M1-S3 PolarHBondContact O-N 3.2Å
4	M	30.3	Very low	29.9	Very low	144 Å²	144	140.4 Å²	140.4	71%	0.709	77%	0.773	S	S	*	*			trans	-98.6	88.6	161.7	-71.7	-146.2	81.5	0	0	109	I2 L6	I2-M4 HydrophobicContact CG2-CG 3.93Å; I2-M4 PolarHBondContact O-N 3.31Å; M4-L6 HydrophobicContact CE-CD2 4.25Å; M4-L6 HydrophobicContact CE-CG 4.38Å; M4-L6 PolarHBondContact O-N 3.34Å
5	S	25.6	Very low	29.8	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	77%	0.769	S	S	*	*			trans	-67.9	103.1	151.4	48.8	0	0	0	0	108.2
6	L	31	Very low	30.1	Very low	149 Å²	149	139.4 Å²	139.4	78%	0.78	77%	0.769	S	S	*	*			trans	-97.1	86.7	160.6	-73.6	168.9	0	0	0	107.5	M4	M4-L6 HydrophobicContact CE-CD2 4.25Å; M4-L6 HydrophobicContact CE-CG 4.38Å; M4-L6 PolarHBondContact O-N 3.34Å
7	F	25.3	Very low	30.4	Very low	176 Å²	176	136.4 Å²	136.4	77%	0.772	76%	0.757	S	S	*	*			trans	-72.2	150.5	150.7	-96.6	-95.4	0	0	0	108.6
8	D	25.7	Very low	30.9	Very low	141 Å²	141	135.4 Å²	135.4	75%	0.754	76%	0.758	S	S	*	*			trans	68.6	114	167.2	-59.8	-39	0	0	0	117.5
9	E	27.5	Very low	31.7	Very low	185 Å²	185	130.4 Å²	130.4	86%	0.864	73%	0.731	S	S	*	*				-163.7	125.1	114.9	-103.9	171.6	161.1	0	0	111.6
10	S	32.3	Very low	32.5	Very low	96 Å²	96	130.8 Å²	130.8	67%	0.671	73%	0.731	S	S	*	*			trans	79.8	82.1	144	-55	0	0	0	0	117.4	A12	S10-A12 PolarHBondContact O-N 3.42Å
11	S	31.5	Very low	33.3	Very low	126 Å²	126	131.4 Å²	131.4	88%	0.881	73%	0.728	S	S	*	*				-54.3	64.1	128.3	-55.9	0	0	0	0	110.3	I13	S11-I13 VanDerWaalsContact C-N 3.34Å; S11-I13 PolarHBondContact O-N 3.41Å
12	A	31.2	Very low	34.2	Very low	64 Å²	64	122.3 Å²	122.3	53%	0.529	68%	0.684	S	S	.	*			trans	-67.8	102.1	165.7	0	0	0	0	0	105.8	S10 I14	S10-A12 PolarHBondContact O-N 3.42Å; A12-I14 HydrophobicContact CB-CG1 3.87Å; A12-I14 PolarHBondContact O-N 2.73Å
13	I	31.2	Very low	35.4	Very low	158 Å²	158	118.6 Å²	118.6	81%	0.81	67%	0.669	S	S	*	*			trans	-62.7	82	155.6	-57.6	-179.8	0	0	0	104.5	S11 S15	S11-I13 VanDerWaalsContact C-N 3.34Å; S11-I13 PolarHBondContact O-N 3.41Å; I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 2.87Å
14	I	35.8	Very low	36.7	Very low	122 Å²	122	122.9 Å²	122.9	63%	0.626	67%	0.669	S	S	*	*			trans	-68.9	101.1	169.7	-60.7	174.9	0	0	0	104.2	A12 E16	A12-I14 HydrophobicContact CB-CG1 3.87Å; A12-I14 PolarHBondContact O-N 2.73Å; I14-E16 PolarHBondContact O-N 3.38Å; I14-E16 VanDerWaalsContact O-N 3.13Å
15	S	28.5	Very low	38.1	Very low	102 Å²	102	117 Å²	117	71%	0.713	64%	0.642	S	S	*	*			trans	-40.6	118	168.3	-53.5	0	0	0	0	109	I13 P17	I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 2.87Å; S15-P17 VanDerWaalsContact O-CD 3.28Å; S15-P17 WeakPolarHBondContact O-CD 3.35Å
16	E	34.8	Very low	40	Very low	164 Å²	164	120.1 Å²	120.1	77%	0.766	65%	0.651	S	S	*	*			trans	-60.2	120.2	176.2	-69.1	-172.3	152.3	0	0	108.3	I14	I14-E16 PolarHBondContact O-N 3.38Å; I14-E16 VanDerWaalsContact O-N 3.13Å
17	P	35.6	Very low	41.7	Very low	88 Å²	88	116 Å²	116	57%	0.571	63%	0.629	S	S	*	*			trans	-64.8	148.7	166.1	26.6	-31	0	0	0	108.8	S15 V19	S15-P17 VanDerWaalsContact O-CD 3.28Å; S15-P17 WeakPolarHBondContact O-CD 3.35Å; P17-V19 PolarHBondContact O-N 3.48Å
18	P	39.2	Very low	43.9	Very low	119 Å²	119	116.7 Å²	116.7	77%	0.773	64%	0.635	S	S	*	*			trans	-59.8	115.2	-176.5	-15.8	28.6	0	0	0	109.6	D20	P18-D20 VanDerWaalsContact C-N 3.34Å; P18-D20 PolarHBondContact O-N 3.2Å; P18-D20 VanDerWaalsContact O-N 3.16Å
19	V	46.3	Very low	46.3	Very low	40 Å²	40	114.4 Å²	114.4	24%	0.242	62%	0.623	C	S	.	*			trans	-87.2	75.7	178.6	-87.9	0	0	0	0	109.5	P17 H21 L22	P17-V19 PolarHBondContact O-N 3.48Å; V19-H21 VanDerWaalsContact C-N 3.33Å; V19-H21 PolarHBondContact O-N 3.28Å; V19-L22 HydrophobicContact CB-CD1 4.23Å; V19-L22 HydrophobicContact CG2-CD1 4.16Å
20	D	46.5	Very low	48.7	Very low	138 Å²	138	109.3 Å²	109.3	74%	0.738	60%	0.599	S	S	*	*			trans	-83.1	3.6	-174.7	-120.6	-19.9	0	0	0	115.4	P18	P18-D20 VanDerWaalsContact C-N 3.34Å; P18-D20 PolarHBondContact O-N 3.2Å; P18-D20 VanDerWaalsContact O-N 3.16Å
21	H	50.2	Low	51	Low	143 Å²	143	105.6 Å²	105.6	66%	0.662	57%	0.572	S	S	*	*			trans	-128.5	45.5	-176.7	-55.2	-42.2	0	0	0	113.4	V19 V23	V19-H21 VanDerWaalsContact C-N 3.33Å; V19-H21 PolarHBondContact O-N 3.28Å; H21-V23 PolarHBondContact O-N 3.33Å
22	L	52	Low	53.6	Low	53 Å²	53	102.5 Å²	102.5	28%	0.277	54%	0.542	S	S	.	.			trans	-80.8	89.2	168.7	-75.8	151.3	0	0	0	109.8	V19 R24 Y32 K44 L47	V19-L22 HydrophobicContact CB-CD1 4.23Å; V19-L22 HydrophobicContact CG2-CD1 4.16Å; L22-R24 PolarHBondContact O-N 2.82Å; L22-Y32 HydrophobicContact CD2-CD1 3.97Å; L22-Y32 HydrophobicContact CD2-CE1 4.48Å; L22-K44 HydrophobicContact CD1-CD 3.67Å; L22-K44 HydrophobicContact CD1-CG 4.23Å; L22-K44 VanDerWaalsContact CD1-NZ 3.26Å; L22-K44 HydrophobicContact CD2-CD 4.35Å; L22-K44 HydrophobicContact CD2-CG 4.03Å; L22-L47 HydrophobicContact CD2-CD2 3.66Å
23	V	57.2	Low	56.1	Low	79 Å²	79	100.8 Å²	100.8	48%	0.479	52%	0.524	S	S	.	.			trans	-70.3	103.4	167.5	179.6	0	0	0	0	108.4	H21 S25 E35	H21-V23 PolarHBondContact O-N 3.33Å; V23-S25 PolarHBondContact O-N 2.79Å; V23-E35 WeakPolarHBondContact CG2-OE1 3.38Å
24	R	54.1	Low	58.6	Low	197 Å²	197	93.4 Å²	93.4	74%	0.743	49%	0.487	S	S	*	.	B	Isolated β-bridge	trans	-74.1	109	168.9	-173.4	177.8	-175.9	173	-0.3	107.5	L22 P31	L22-R24 PolarHBondContact O-N 2.82Å; R24-P31 WeakPolarHBondContact CA-O 3.5Å; R24-P31 HydrophobicContact CG-CB 4.28Å
25	S	59	Low	60.9	Low	21 Å²	21	93.9 Å²	93.9	15%	0.147	49%	0.486	C	S	.	.			trans	-75.2	155.9	170.9	76.4	0	0	0	0	110.7	V23 D27 P31	V23-S25 PolarHBondContact O-N 2.79Å; S25-D27 PolarHBondContact O-N 3.5Å; S25-D27 VanDerWaalsContact O-N 3.1Å; S25-P31 PolarHBondContact N-O 3.26Å; S25-P31 PolarHBondContact OG-O 3Å
26	N	65.7	Low	63.4	Low	162 Å²	162	95.6 Å²	95.6	87%	0.866	48%	0.483	S	S	*	.	S	Bend	trans	-68.7	0.1	175.9	-78.9	-21.6	0	0	0	113.7	H28	N26-H28 PolarHBondContact O-N 2.97Å
27	D	66	Low	65.7	Low	62 Å²	62	90.4 Å²	90.4	33%	0.332	46%	0.464	S	S	.	.			trans	-74.6	115	176	-168.7	-79	0	0	0	110.7	S25 N29 Q30 P31 R40	S25-D27 PolarHBondContact O-N 3.5Å; S25-D27 VanDerWaalsContact O-N 3.1Å; D27-N29 PolarHBondContact O-N 3.45Å; D27-N29 WeakPolarHBondContact OD1-CA 3.3Å; D27-N29 WeakPolarHBondContact OD1-CB 3.41Å; D27-N29 PolarHBondContact OD1-N 2.74Å; D27-Q30 PolarHBondContact OD1-N 2.88Å; D27-P31 VanDerWaalsContact O-CA 3.27Å; D27-P31 WeakPolarHBondContact O-CA 3.29Å; D27-P31 WeakPolarHBondContact O-CB 3.36Å; D27-R40 IonicContact OD2-NH1 2.88Å
28	H	72.6	Confident	68	Low	190 Å²	190	88.3 Å²	88.3	88%	0.88	46%	0.459	S	S	*	.	S	Bend	trans	-70	-19.3	-177.7	-67.9	-49.2	0	0	0	113.9	N26	N26-H28 PolarHBondContact O-N 2.97Å
29	N	74.4	Confident	70.1	Confident	94 Å²	94	87.6 Å²	87.6	50%	0.503	44%	0.444	S	S	.	.	S	Bend	trans	-92.1	-38.9	-175	-158	35.5	0	0	0	111.3	D27 T42 Q209	D27-N29 PolarHBondContact O-N 3.45Å; D27-N29 WeakPolarHBondContact OD1-CA 3.3Å; D27-N29 WeakPolarHBondContact OD1-CB 3.41Å; D27-N29 PolarHBondContact OD1-N 2.74Å; N29-T42 WeakPolarHBondContact O-CG2 3.39Å; N29-Q209 PolarHBondContact ND2-OE1 3.28Å
30	Q	77.7	Confident	71.9	Confident	77 Å²	77	90.9 Å²	90.9	36%	0.36	45%	0.452	S	S	.	.	S	Bend	trans	-134.7	69.6	178.9	-60.2	-178.5	-45.7	0	0	111.5	D27 Y32 R40 Y41 T42	D27-Q30 PolarHBondContact OD1-N 2.88Å; Q30-Y32 PolarHBondContact O-N 2.95Å; Q30-R40 HydrophobicContact CB-CB 3.67Å; Q30-R40 HydrophobicContact CG-CB 4.48Å; Q30-Y41 CarbonylContact C-O 3.54Å; Q30-Y41 VanDerWaalsContact C-O 3.25Å; Q30-Y41 VanDerWaalsContact CA-O 3.27Å; Q30-Y41 WeakPolarHBondContact CA-O 3.34Å; Q30-T42 HydrophobicContact CG-CG2 4.06Å
31	P	82.5	Confident	73.5	Confident	18 Å²	18	85.9 Å²	85.9	12%	0.117	42%	0.423	C	S	.	.			trans	-69.5	-19.7	-170.9	25.4	-33.3	0	0	0	113.9	R24 S25 D27	R24-P31 WeakPolarHBondContact CA-O 3.5Å; R24-P31 HydrophobicContact CG-CB 4.28Å; S25-P31 PolarHBondContact N-O 3.26Å; S25-P31 PolarHBondContact OG-O 3Å; D27-P31 VanDerWaalsContact O-CA 3.27Å; D27-P31 WeakPolarHBondContact O-CA 3.29Å; D27-P31 WeakPolarHBondContact O-CB 3.36Å
32	Y	84.5	Confident	75	Confident	62 Å²	62	82.7 Å²	82.7	24%	0.243	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.7	-173.9	-58.7	-75.8	0	0	0	110.6	L22 Q30 R40 Y41 K44	L22-Y32 HydrophobicContact CD2-CD1 3.97Å; L22-Y32 HydrophobicContact CD2-CE1 4.48Å; Q30-Y32 PolarHBondContact O-N 2.95Å; Y32-R40 CarbonylContact O-C 3.55Å; Y32-R40 WeakPolarHBondContact O-CA 3.48Å; Y32-Y41 PolarHBondContact N-O 3.06Å; Y32-Y41 PolarHBondContact O-N 3.05Å; Y32-K44 HydrophobicContact CD1-CB 4.13Å; Y32-K44 VanDerWaalsContact CD2-N 3.32Å; Y32-K44 HydrophobicContact CE1-CB 3.74Å; Y32-K44 HydrophobicContact CE1-CG 4.45Å; Y32-K44 HydrophobicContact CE2-CB 4.28Å
33	V	85.3	Confident	76.4	Confident	27 Å²	27	81.5 Å²	81.5	16%	0.164	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.8	-177.8	-170.2	0	0	0	0	110	K39 R40 L47	V33-K39 CarbonylContact C-O 3.43Å; V33-K39 WeakPolarHBondContact CA-O 3.26Å; V33-R40 HydrophobicContact CG1-CG 4.28Å; V33-R40 HydrophobicContact CG2-CG 3.99Å; V33-L47 WeakPolarHBondContact O-CD2 3.26Å
34	C	83	Confident	77.7	Confident	4 Å²	4	81.7 Å²	81.7	3%	0.027	41%	0.406	C	S	.	.			trans	-80.8	118.4	167.3	-176.9	0	0	0	0	109.8	Q36 C37 G38 K39 Y41 L47 H50 H54	C34-Q36 VanDerWaalsContact C-N 3.28Å; C34-Q36 PolarHBondContact O-N 2.88Å; C34-C37 VanDerWaalsContact SG-SG 3.68Å; C34-G38 WeakPolarHBondContact O-CA 3.48Å; C34-G38 PolarHBondContact O-N 3.36Å; C34-K39 PolarHBondContact N-O 3.34Å; C34-Y41 HydrophobicContact CB-CE2 4.47Å; C34-L47 HydrophobicContact CB-CD1 3.64Å; C34-H50 PolarHBondContact SG-NE2 2.97Å; C34-H50 VanDerWaalsContact SG-NE2 3.41Å; C34-H54 VanDerWaalsContact SG-CD2 3.55Å; C34-H54 PolarHBondContact SG-NE2 3.11Å
35	E	84.7	Confident	79	Confident	131 Å²	131	80.9 Å²	80.9	61%	0.612	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-31	178.9	-64.3	-177.3	154.9	0	0	113	V23	V23-E35 WeakPolarHBondContact CG2-OE1 3.38Å
36	Q	80.8	Confident	80	Confident	138 Å²	138	83 Å²	83	65%	0.645	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-26	-175.1	-173.5	171.6	-12.7	0	0	113.7	C34 H54	C34-Q36 VanDerWaalsContact C-N 3.28Å; C34-Q36 PolarHBondContact O-N 2.88Å; Q36-H54 PolarHBondContact NE2-ND1 3.41Å
37	C	83.2	Confident	80.8	Confident	55 Å²	55	75.6 Å²	75.6	37%	0.372	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	0.4	179.4	70.5	0	0	0	0	115.5	C34 K39 H50 H54	C34-C37 VanDerWaalsContact SG-SG 3.68Å; C37-K39 PolarHBondContact O-N 3.17Å; C37-K39 VanDerWaalsContact SG-CG 3.55Å; C37-H50 VanDerWaalsContact SG-CE1 3.59Å; C37-H50 PolarHBondContact SG-NE2 3.12Å; C37-H54 PolarHBondContact SG-NE2 2.9Å
38	G	83.9	Confident	81.7	Confident	45 Å²	45	74.5 Å²	74.5	46%	0.464	37%	0.366	S	S	.	.			trans	72.8	-1.9	-179.8	0	0	0	0	0	115.8	C34	C34-G38 WeakPolarHBondContact O-CA 3.48Å; C34-G38 PolarHBondContact O-N 3.36Å
39	K	81.9	Confident	82	Confident	103 Å²	103	66.7 Å²	66.7	45%	0.448	33%	0.332	S	S	.	.			trans	-62.2	137.8	179.5	-73.3	-177.7	-176.5	-179.1	0	111.4	V33 C34 C37 Y41	V33-K39 CarbonylContact C-O 3.43Å; V33-K39 WeakPolarHBondContact CA-O 3.26Å; C34-K39 PolarHBondContact N-O 3.34Å; C37-K39 PolarHBondContact O-N 3.17Å; C37-K39 VanDerWaalsContact SG-CG 3.55Å; K39-Y41 HydrophobicContact CB-CE2 3.77Å; K39-Y41 WeakPolarHBondContact CD-OH 3.26Å; K39-Y41 WeakPolarHBondContact O-CE2 3.48Å
40	R	85.1	Confident	82.3	Confident	109 Å²	109	62.5 Å²	62.5	41%	0.411	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145.2	-177	-54.7	-169.6	157	-157.4	-4.3	112.4	D27 Q30 Y32 V33	D27-R40 IonicContact OD2-NH1 2.88Å; Q30-R40 HydrophobicContact CB-CB 3.67Å; Q30-R40 HydrophobicContact CG-CB 4.48Å; Y32-R40 CarbonylContact O-C 3.55Å; Y32-R40 WeakPolarHBondContact O-CA 3.48Å; V33-R40 HydrophobicContact CG1-CG 4.28Å; V33-R40 HydrophobicContact CG2-CG 3.99Å
41	Y	79.7	Confident	82.4	Confident	34 Å²	34	63.8 Å²	63.8	13%	0.133	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.3	-172.4	-63.1	-81.7	0	0	0	111.8	Q30 Y32 C34 K39 E46 L47 H50	Q30-Y41 CarbonylContact C-O 3.54Å; Q30-Y41 VanDerWaalsContact C-O 3.25Å; Q30-Y41 VanDerWaalsContact CA-O 3.27Å; Q30-Y41 WeakPolarHBondContact CA-O 3.34Å; Y32-Y41 PolarHBondContact N-O 3.06Å; Y32-Y41 PolarHBondContact O-N 3.05Å; C34-Y41 HydrophobicContact CB-CE2 4.47Å; K39-Y41 HydrophobicContact CB-CE2 3.77Å; K39-Y41 WeakPolarHBondContact CD-OH 3.26Å; K39-Y41 WeakPolarHBondContact O-CE2 3.48Å; Y41-E46 HydrophobicContact CD1-CB 3.56Å; Y41-E46 HydrophobicContact CE1-CB 4.4Å; Y41-E46 HydrophobicContact CG-CB 4.07Å; Y41-L47 HydrophobicContact CD2-CB 3.85Å; Y41-L47 HydrophobicContact CD2-CD1 3.84Å; Y41-L47 HydrophobicContact CD2-CG 4.43Å; Y41-L47 HydrophobicContact CE2-CD1 4.02Å; Y41-L47 HydrophobicContact CG-CB 4.17Å; Y41-H50 HydrophobicContact CE1-CB 4.05Å; Y41-H50 HydrophobicContact CE2-CB 3.93Å; Y41-H50 AromaticContact CE2-CD2 3.61Å; Y41-H50 AromaticContact CE2-CG 3.77Å; Y41-H50 VanDerWaalsContact CZ-CB 3.49Å; Y41-H50 AromaticContact CZ-CD2 3.76Å; Y41-H50 AromaticContact CZ-CG 3.44Å; Y41-H50 VanDerWaalsContact CZ-CG 3.44Å; Y41-H50 WeakPolarHBondContact OH-CB 3.42Å; Y41-H50 PolarHBondContact OH-CD2 2.96Å; Y41-H50 PolarHBondContact OH-ND1 3.27Å
42	T	82.2	Confident	82.4	Confident	76 Å²	76	66.8 Å²	66.8	47%	0.466	32%	0.32	S	S	.	.	S	Bend	trans	-79.9	-28.7	-179.8	68.3	0	0	0	0	111.7	N29 Q30 E46	N29-T42 WeakPolarHBondContact O-CG2 3.39Å; Q30-T42 HydrophobicContact CG-CG2 4.06Å; T42-E46 PolarHBondContact N-OE2 3.33Å; T42-E46 PolarHBondContact OG1-OE2 2.81Å
43	A	81.3	Confident	81.9	Confident	28 Å²	28	66.5 Å²	66.5	23%	0.231	32%	0.322	C	S	.	.	S	Bend	trans	-130.9	142.5	-178.3	0	0	0	0	0	112.6	R45 E46 L47	A43-R45 HydrophobicContact CB-CG 4.08Å; A43-R45 PolarHBondContact O-N 3.26Å; A43-R45 VanDerWaalsContact O-N 3.17Å; A43-E46 HydrophobicContact CB-CG 4.17Å; A43-E46 PolarHBondContact N-OE2 2.96Å; A43-E46 WeakPolarHBondContact O-CB 3.36Å; A43-E46 PolarHBondContact O-N 3.3Å; A43-L47 PolarHBondContact O-N 2.81Å
44	K	84.5	Confident	81.7	Confident	83 Å²	83	68 Å²	68	36%	0.361	33%	0.327	S	S	.	.	H	α-helix	trans	-50.9	-41.5	176.9	178	172.2	166	165.2	0	112.7	L22 Y32 E46 L47 V48	L22-K44 HydrophobicContact CD1-CD 3.67Å; L22-K44 HydrophobicContact CD1-CG 4.23Å; L22-K44 VanDerWaalsContact CD1-NZ 3.26Å; L22-K44 HydrophobicContact CD2-CD 4.35Å; L22-K44 HydrophobicContact CD2-CG 4.03Å; Y32-K44 HydrophobicContact CD1-CB 4.13Å; Y32-K44 VanDerWaalsContact CD2-N 3.32Å; Y32-K44 HydrophobicContact CE1-CB 3.74Å; Y32-K44 HydrophobicContact CE1-CG 4.45Å; Y32-K44 HydrophobicContact CE2-CB 4.28Å; K44-E46 PolarHBondContact O-N 3.32Å; K44-L47 PolarHBondContact O-N 3.22Å; K44-V48 HydrophobicContact CG-CG2 4.27Å; K44-V48 WeakPolarHBondContact O-CG2 3.35Å; K44-V48 PolarHBondContact O-N 2.89Å
45	R	81.5	Confident	81.5	Confident	179 Å²	179	72.9 Å²	72.9	68%	0.675	35%	0.35	S	S	*	.	H	α-helix	trans	-59.1	-33.3	178.6	71.8	-178.8	-170.2	165.1	3.3	113.4	A43 T49	A43-R45 HydrophobicContact CB-CG 4.08Å; A43-R45 PolarHBondContact O-N 3.26Å; A43-R45 VanDerWaalsContact O-N 3.17Å; R45-T49 VanDerWaalsContact O-CB 3.31Å; R45-T49 WeakPolarHBondContact O-CB 3.43Å; R45-T49 PolarHBondContact O-N 2.9Å; R45-T49 PolarHBondContact O-OG1 2.91Å
46	E	80.1	Confident	80.9	Confident	67 Å²	67	69.9 Å²	69.9	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-73.3	-42.9	-179.7	-60.3	173	162.3	0	0	109.5	Y41 T42 A43 K44 T49 H50	Y41-E46 HydrophobicContact CD1-CB 3.56Å; Y41-E46 HydrophobicContact CE1-CB 4.4Å; Y41-E46 HydrophobicContact CG-CB 4.07Å; T42-E46 PolarHBondContact N-OE2 3.33Å; T42-E46 PolarHBondContact OG1-OE2 2.81Å; A43-E46 HydrophobicContact CB-CG 4.17Å; A43-E46 PolarHBondContact N-OE2 2.96Å; A43-E46 WeakPolarHBondContact O-CB 3.36Å; A43-E46 PolarHBondContact O-N 3.3Å; K44-E46 PolarHBondContact O-N 3.32Å; E46-T49 WeakPolarHBondContact O-CB 3.47Å; E46-T49 PolarHBondContact O-N 3.15Å; E46-H50 VanDerWaalsContact O-CB 3.3Å; E46-H50 WeakPolarHBondContact O-CB 3.44Å; E46-H50 PolarHBondContact O-N 2.8Å
47	L	82.7	Confident	80.7	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-45.1	172.9	174.6	60.3	0	0	0	112	L22 V33 C34 Y41 A43 K44 T49 H50 R51	L22-L47 HydrophobicContact CD2-CD2 3.66Å; V33-L47 WeakPolarHBondContact O-CD2 3.26Å; C34-L47 HydrophobicContact CB-CD1 3.64Å; Y41-L47 HydrophobicContact CD2-CB 3.85Å; Y41-L47 HydrophobicContact CD2-CD1 3.84Å; Y41-L47 HydrophobicContact CD2-CG 4.43Å; Y41-L47 HydrophobicContact CE2-CD1 4.02Å; Y41-L47 HydrophobicContact CG-CB 4.17Å; A43-L47 PolarHBondContact O-N 2.81Å; K44-L47 PolarHBondContact O-N 3.22Å; L47-T49 VanDerWaalsContact C-N 3.32Å; L47-T49 PolarHBondContact O-N 2.86Å; L47-H50 PolarHBondContact O-N 3.23Å; L47-H50 VanDerWaalsContact O-N 3.17Å; L47-R51 HydrophobicContact CD1-CG 4.26Å; L47-R51 WeakPolarHBondContact O-CG 3.48Å; L47-R51 PolarHBondContact O-N 3.27Å
48	V	83.7	Confident	80.2	Confident	39 Å²	39	70.2 Å²	70.2	24%	0.236	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-44.9	176.6	171.1	0	0	0	0	110.8	K44 H50 R51	K44-V48 HydrophobicContact CG-CG2 4.27Å; K44-V48 WeakPolarHBondContact O-CG2 3.35Å; K44-V48 PolarHBondContact O-N 2.89Å; V48-H50 VanDerWaalsContact C-N 3.31Å; V48-H50 PolarHBondContact O-N 2.93Å; V48-R51 PolarHBondContact O-N 3.24Å
49	T	79.1	Confident	80.1	Confident	26 Å²	26	69.9 Å²	69.9	16%	0.16	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-43.7	174.7	-62.5	0	0	0	0	111.1	R45 E46 L47 R52	R45-T49 VanDerWaalsContact O-CB 3.31Å; R45-T49 WeakPolarHBondContact O-CB 3.43Å; R45-T49 PolarHBondContact O-N 2.9Å; R45-T49 PolarHBondContact O-OG1 2.91Å; E46-T49 WeakPolarHBondContact O-CB 3.47Å; E46-T49 PolarHBondContact O-N 3.15Å; L47-T49 VanDerWaalsContact C-N 3.32Å; L47-T49 PolarHBondContact O-N 2.86Å; T49-R52 VanDerWaalsContact O-CB 3.23Å; T49-R52 WeakPolarHBondContact O-CB 3.27Å; T49-R52 PolarHBondContact O-N 3.42Å
50	H	81.1	Confident	80.1	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.028	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-40.2	179.6	166.7	66.5	0	0	0	112.7	C34 C37 Y41 E46 L47 V48 R52 I53 H54 E68	C34-H50 PolarHBondContact SG-NE2 2.97Å; C34-H50 VanDerWaalsContact SG-NE2 3.41Å; C37-H50 VanDerWaalsContact SG-CE1 3.59Å; C37-H50 PolarHBondContact SG-NE2 3.12Å; Y41-H50 HydrophobicContact CE1-CB 4.05Å; Y41-H50 HydrophobicContact CE2-CB 3.93Å; Y41-H50 AromaticContact CE2-CD2 3.61Å; Y41-H50 AromaticContact CE2-CG 3.77Å; Y41-H50 VanDerWaalsContact CZ-CB 3.49Å; Y41-H50 AromaticContact CZ-CD2 3.76Å; Y41-H50 AromaticContact CZ-CG 3.44Å; Y41-H50 VanDerWaalsContact CZ-CG 3.44Å; Y41-H50 WeakPolarHBondContact OH-CB 3.42Å; Y41-H50 PolarHBondContact OH-CD2 2.96Å; Y41-H50 PolarHBondContact OH-ND1 3.27Å; E46-H50 VanDerWaalsContact O-CB 3.3Å; E46-H50 WeakPolarHBondContact O-CB 3.44Å; E46-H50 PolarHBondContact O-N 2.8Å; L47-H50 PolarHBondContact O-N 3.23Å; L47-H50 VanDerWaalsContact O-N 3.17Å; V48-H50 VanDerWaalsContact C-N 3.31Å; V48-H50 PolarHBondContact O-N 2.93Å; H50-R52 PolarHBondContact O-N 3.36Å; H50-R52 VanDerWaalsContact O-N 3.09Å; H50-I53 VanDerWaalsContact O-CB 3.27Å; H50-I53 WeakPolarHBondContact O-CB 3.17Å; H50-I53 WeakPolarHBondContact O-CG1 3.4Å; H50-I53 PolarHBondContact O-N 3.11Å; H50-H54 AromaticContact CE1-NE2 3.82Å; H50-H54 AromaticContact NE2-CD2 3.83Å; H50-H54 AromaticContact NE2-NE2 3.33Å; H50-H54 PolarHBondContact NE2-NE2 2.94Å; H50-E68 IonicContact ND1-OE2 3.45Å
51	R	80.6	Confident	79.9	Confident	103 Å²	103	69.6 Å²	69.6	39%	0.389	35%	0.345	S	S	.	.	H	α-helix	trans	-58	-25.6	176.7	-76.1	-174.5	71.4	-141.8	4	113.1	L47 V48 I53 H54 Q55	L47-R51 HydrophobicContact CD1-CG 4.26Å; L47-R51 WeakPolarHBondContact O-CG 3.48Å; L47-R51 PolarHBondContact O-N 3.27Å; V48-R51 PolarHBondContact O-N 3.24Å; R51-I53 PolarHBondContact O-N 2.84Å; R51-H54 WeakPolarHBondContact O-CB 3.42Å; R51-H54 PolarHBondContact O-N 3.31Å; R51-H54 VanDerWaalsContact O-N 3.17Å; R51-Q55 WeakPolarHBondContact O-CG 3.4Å; R51-Q55 PolarHBondContact O-N 3.26Å
52	R	81.8	Confident	80	Confident	81 Å²	81	68 Å²	68	31%	0.306	34%	0.339	S	S	.	.	H	α-helix	trans	-56.8	-33.2	173.2	-67.1	-177.5	-176.5	-172.8	-1.5	111.7	T49 H50 H54 Q55 G56 Q57 T59	T49-R52 VanDerWaalsContact O-CB 3.23Å; T49-R52 WeakPolarHBondContact O-CB 3.27Å; T49-R52 PolarHBondContact O-N 3.42Å; H50-R52 PolarHBondContact O-N 3.36Å; H50-R52 VanDerWaalsContact O-N 3.09Å; R52-H54 PolarHBondContact O-N 3.31Å; R52-Q55 CarbonylContact O-C 3.52Å; R52-Q55 WeakPolarHBondContact O-CA 3.04Å; R52-Q55 PolarHBondContact O-N 3.44Å; R52-Q55 VanDerWaalsContact O-N 3.11Å; R52-G56 PolarHBondContact O-N 3.38Å; R52-G56 VanDerWaalsContact O-N 3.11Å; R52-Q57 HydrophobicContact CB-CB 3.68Å; R52-Q57 HydrophobicContact CG-CB 4.2Å; R52-Q57 WeakPolarHBondContact O-CB 3.48Å; R52-Q57 PolarHBondContact O-N 3.31Å; R52-T59 HydrophobicContact CB-CG2 3.73Å
53	I	74.9	Confident	79.9	Confident	57 Å²	57	71.3 Å²	71.3	29%	0.292	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-42.5	179.2	-60.7	159.7	0	0	0	110.9	H50 R51 Q55 G56 T59 E68	H50-I53 VanDerWaalsContact O-CB 3.27Å; H50-I53 WeakPolarHBondContact O-CB 3.17Å; H50-I53 WeakPolarHBondContact O-CG1 3.4Å; H50-I53 PolarHBondContact O-N 3.11Å; R51-I53 PolarHBondContact O-N 2.84Å; I53-Q55 PolarHBondContact O-N 3.14Å; I53-G56 PolarHBondContact O-N 3.04Å; I53-T59 HydrophobicContact CG1-CG2 3.79Å; I53-E68 HydrophobicContact CD1-CB 4.4Å; I53-E68 HydrophobicContact CD1-CG 4.14Å; I53-E68 WeakPolarHBondContact CD1-OE1 2.85Å; I53-E68 WeakPolarHBondContact CD1-OE2 3.27Å
54	H	79.5	Confident	79.8	Confident	58 Å²	58	76.1 Å²	76.1	27%	0.269	36%	0.36	S	S	.	.	H	α-helix	trans	-64	-30.2	174.3	-70.3	-50.2	0	0	0	113	C34 Q36 C37 H50 R51 R52	C34-H54 VanDerWaalsContact SG-CD2 3.55Å; C34-H54 PolarHBondContact SG-NE2 3.11Å; Q36-H54 PolarHBondContact NE2-ND1 3.41Å; C37-H54 PolarHBondContact SG-NE2 2.9Å; H50-H54 AromaticContact CE1-NE2 3.82Å; H50-H54 AromaticContact NE2-CD2 3.83Å; H50-H54 AromaticContact NE2-NE2 3.33Å; H50-H54 PolarHBondContact NE2-NE2 2.94Å; R51-H54 WeakPolarHBondContact O-CB 3.42Å; R51-H54 PolarHBondContact O-N 3.31Å; R51-H54 VanDerWaalsContact O-N 3.17Å; R52-H54 PolarHBondContact O-N 3.31Å
55	Q	80.4	Confident	79.7	Confident	107 Å²	107	74.4 Å²	74.4	50%	0.5	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	2.5	175.3	-63.6	172.9	-6	0	0	112.7	R51 R52 I53 Q57	R51-Q55 WeakPolarHBondContact O-CG 3.4Å; R51-Q55 PolarHBondContact O-N 3.26Å; R52-Q55 CarbonylContact O-C 3.52Å; R52-Q55 WeakPolarHBondContact O-CA 3.04Å; R52-Q55 PolarHBondContact O-N 3.44Å; R52-Q55 VanDerWaalsContact O-N 3.11Å; I53-Q55 PolarHBondContact O-N 3.14Å; Q55-Q57 HydrophobicContact CB-CB 4.49Å; Q55-Q57 HydrophobicContact CB-CG 3.82Å; Q55-Q57 PolarHBondContact O-N 3.48Å; Q55-Q57 VanDerWaalsContact O-N 3.13Å
56	G	70.9	Confident	79.5	Confident	68 Å²	68	70.2 Å²	70.2	70%	0.701	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	13.2	-173.4	0	0	0	0	0	114	R52 I53	R52-G56 PolarHBondContact O-N 3.38Å; R52-G56 VanDerWaalsContact O-N 3.11Å; I53-G56 PolarHBondContact O-N 3.04Å
57	Q	76	Confident	79.5	Confident	103 Å²	103	72.9 Å²	72.9	48%	0.481	36%	0.359	S	S	.	.			trans	-73.6	143.2	179.2	-70.4	-73.1	-51.2	0	0	110.1	R52 Q55 T59	R52-Q57 HydrophobicContact CB-CB 3.68Å; R52-Q57 HydrophobicContact CG-CB 4.2Å; R52-Q57 WeakPolarHBondContact O-CB 3.48Å; R52-Q57 PolarHBondContact O-N 3.31Å; Q55-Q57 HydrophobicContact CB-CB 4.49Å; Q55-Q57 HydrophobicContact CB-CG 3.82Å; Q55-Q57 PolarHBondContact O-N 3.48Å; Q55-Q57 VanDerWaalsContact O-N 3.13Å; Q57-T59 PolarHBondContact O-N 3.33Å
58	P	73.4	Confident	79.2	Confident	96 Å²	96	75 Å²	75	62%	0.623	37%	0.369	S	S	*	.			trans	-62.7	123.8	-175.3	23.6	-32.1	0	0	0	111
59	T	80.9	Confident	79.1	Confident	38 Å²	38	75 Å²	75	23%	0.233	37%	0.365	C	S	.	.			trans	-123.1	157.9	169.2	61.5	0	0	0	0	109.3	R52 I53 Q57	R52-T59 HydrophobicContact CB-CG2 3.73Å; I53-T59 HydrophobicContact CG1-CG2 3.79Å; Q57-T59 PolarHBondContact O-N 3.33Å
60	F	82.5	Confident	79.1	Confident	71 Å²	71	74.4 Å²	74.4	31%	0.311	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	106.7	-177.8	-62.2	-85.6	0	0	0	109.1	F69 Q72 L75	F60-F69 PolarHBondContact N-O 3.21Å; F60-F69 WeakPolarHBondContact O-CD2 3.45Å; F60-F69 PolarHBondContact O-N 3.43Å; F60-Q72 HydrophobicContact CD1-CB 3.71Å; F60-Q72 HydrophobicContact CD1-CG 3.81Å; F60-Q72 HydrophobicContact CD2-CB 4.22Å; F60-Q72 HydrophobicContact CE1-CB 3.51Å; F60-Q72 HydrophobicContact CE1-CG 3.76Å; F60-Q72 HydrophobicContact CE2-CB 4.04Å; F60-Q72 HydrophobicContact CG-CB 4.06Å; F60-Q72 HydrophobicContact CZ-CB 3.68Å; F60-Q72 HydrophobicContact CZ-CG 4.41Å; F60-L75 HydrophobicContact CB-CB 3.9Å; F60-L75 HydrophobicContact CB-CD2 3.75Å; F60-L75 HydrophobicContact CB-CG 4.43Å
61	R	81.1	Confident	79.1	Confident	135 Å²	135	76.9 Å²	76.9	51%	0.509	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.8	-178.9	-176.2	170.2	171	172.6	-6.9	111	D66 K67 E68	R61-D66 IonicContact CZ-OD1 2.99Å; R61-D66 VanDerWaalsContact CZ-OD1 3.22Å; R61-D66 IonicContact NE-OD1 3.77Å; R61-D66 PolarHBondContact NE-OD1 3.09Å; R61-D66 IonicContact NH2-OD1 2.63Å; R61-D66 PolarHBondContact NH2-OD1 2.92Å; R61-D66 IonicContact NH2-OD2 3.05Å; R61-D66 PolarHBondContact NH2-OD2 3.03Å; R61-K67 CarbonylContact C-O 3.6Å; R61-K67 WeakPolarHBondContact CA-O 3.5Å; R61-E68 HydrophobicContact CB-CG 4.14Å; R61-E68 HydrophobicContact CG-CG 4.04Å
62	C	81.4	Confident	79.3	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.382	C	S	.	.			trans	-76.7	121.5	170.9	-176.3	0	0	0	0	110.1	R64 D66 K67 F69 L75 H78 H82	C62-R64 PolarHBondContact O-N 3.28Å; C62-D66 VanDerWaalsContact O-CA 3.26Å; C62-D66 WeakPolarHBondContact O-CA 3.46Å; C62-D66 PolarHBondContact O-N 2.86Å; C62-K67 PolarHBondContact N-O 3.11Å; C62-F69 HydrophobicContact CB-CE2 4.27Å; C62-L75 HydrophobicContact CB-CD1 3.55Å; C62-H78 PolarHBondContact SG-NE2 3.01Å; C62-H78 VanDerWaalsContact SG-NE2 3.42Å; C62-H82 VanDerWaalsContact SG-CD2 3.56Å
63	F	80.5	Confident	79.5	Confident	147 Å²	147	79.3 Å²	79.3	65%	0.645	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.6	179.3	74	-86.8	0	0	0	114.1
64	R	78.5	Confident	79.9	Confident	129 Å²	129	80.4 Å²	80.4	49%	0.487	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-25.9	-177	-65.4	-175.2	179.8	-179.4	7	114.2	C62 H82	C62-R64 PolarHBondContact O-N 3.28Å; R64-H82 VanDerWaalsContact CD-CB 3.47Å; R64-H82 PolarHBondContact NH1-O 2.81Å
65	C	82.8	Confident	80.2	Confident	46 Å²	46	78.4 Å²	78.4	31%	0.311	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.6	9.6	-177.3	71.5	0	0	0	0	114.7	K67 H78 H82	C65-K67 PolarHBondContact O-N 3.01Å; C65-H78 VanDerWaalsContact SG-CE1 3.51Å; C65-H78 PolarHBondContact SG-NE2 3.17Å; C65-H82 PolarHBondContact SG-NE2 3.49Å
66	D	77.5	Confident	80.5	Confident	91 Å²	91	80.5 Å²	80.5	49%	0.487	40%	0.4	S	S	.	.			trans	58	13.1	178.2	-64.9	-43.5	0	0	0	115.9	R61 C62	R61-D66 IonicContact CZ-OD1 2.99Å; R61-D66 VanDerWaalsContact CZ-OD1 3.22Å; R61-D66 IonicContact NE-OD1 3.77Å; R61-D66 PolarHBondContact NE-OD1 3.09Å; R61-D66 IonicContact NH2-OD1 2.63Å; R61-D66 PolarHBondContact NH2-OD1 2.92Å; R61-D66 IonicContact NH2-OD2 3.05Å; R61-D66 PolarHBondContact NH2-OD2 3.03Å; C62-D66 VanDerWaalsContact O-CA 3.26Å; C62-D66 WeakPolarHBondContact O-CA 3.46Å; C62-D66 PolarHBondContact O-N 2.86Å
67	K	79.3	Confident	81.1	Confident	124 Å²	124	82.8 Å²	82.8	54%	0.539	39%	0.39	S	S	.	.			trans	-68	136	171.6	-75.4	176.2	-174.7	-86.8	0	110.3	R61 C62 C65 F69	R61-K67 CarbonylContact C-O 3.6Å; R61-K67 WeakPolarHBondContact CA-O 3.5Å; C62-K67 PolarHBondContact N-O 3.11Å; C65-K67 PolarHBondContact O-N 3.01Å; K67-F69 HydrophobicContact CB-CE2 3.74Å; K67-F69 HydrophobicContact CB-CZ 3.83Å; K67-F69 WeakPolarHBondContact O-CE2 3.43Å
68	E	77.7	Confident	81.5	Confident	51 Å²	51	79.3 Å²	79.3	24%	0.238	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.6	-177.2	-67.2	159.2	166.2	0	0	110.7	H50 I53 R61	H50-E68 IonicContact ND1-OE2 3.45Å; I53-E68 HydrophobicContact CD1-CB 4.4Å; I53-E68 HydrophobicContact CD1-CG 4.14Å; I53-E68 WeakPolarHBondContact CD1-OE1 2.85Å; I53-E68 WeakPolarHBondContact CD1-OE2 3.27Å; R61-E68 HydrophobicContact CB-CG 4.14Å; R61-E68 HydrophobicContact CG-CG 4.04Å
69	F	80.3	Confident	81.9	Confident	38 Å²	38	77.4 Å²	77.4	17%	0.167	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.8	-175.7	-58.8	-86.9	0	0	0	110.5	F60 C62 K67 T71 L74 L75 H78	F60-F69 PolarHBondContact N-O 3.21Å; F60-F69 WeakPolarHBondContact O-CD2 3.45Å; F60-F69 PolarHBondContact O-N 3.43Å; C62-F69 HydrophobicContact CB-CE2 4.27Å; K67-F69 HydrophobicContact CB-CE2 3.74Å; K67-F69 HydrophobicContact CB-CZ 3.83Å; K67-F69 WeakPolarHBondContact O-CE2 3.43Å; F69-T71 PolarHBondContact O-N 3.36Å; F69-L74 HydrophobicContact CB-CB 4.01Å; F69-L74 HydrophobicContact CD1-CB 3.84Å; F69-L74 HydrophobicContact CG-CB 4.22Å; F69-L75 HydrophobicContact CB-CB 4.23Å; F69-L75 HydrophobicContact CD2-CB 3.86Å; F69-L75 HydrophobicContact CD2-CD1 3.69Å; F69-L75 HydrophobicContact CD2-CG 4.39Å; F69-L75 HydrophobicContact CE2-CD1 3.84Å; F69-L75 HydrophobicContact CG-CB 4.21Å; F69-H78 HydrophobicContact CE1-CB 3.85Å; F69-H78 HydrophobicContact CE2-CB 3.92Å; F69-H78 AromaticContact CE2-CD2 3.4Å; F69-H78 WeakPolarHBondContact CE2-CD2 3.43Å; F69-H78 AromaticContact CE2-CG 3.67Å; F69-H78 HydrophobicContact CZ-CB 3.37Å; F69-H78 AromaticContact CZ-CD2 3.44Å; F69-H78 VanDerWaalsContact CZ-CD2 3.44Å; F69-H78 WeakPolarHBondContact CZ-CD2 3.33Å; F69-H78 AromaticContact CZ-CG 3.21Å; F69-H78 AromaticContact CZ-ND1 3.78Å
70	G	79.9	Confident	82	Confident	13 Å²	13	77 Å²	77	13%	0.134	36%	0.355	C	S	.	.	S	Bend	trans	-75.6	-11.3	-178.4	0	0	0	0	0	113.9
71	T	81.4	Confident	82	Confident	59 Å²	59	81.4 Å²	81.4	36%	0.362	37%	0.369	S	S	.	.	S	Bend	trans	-143.5	148.3	177.6	67.9	0	0	0	0	110.9	F69 Q73 L74 L75	F69-T71 PolarHBondContact O-N 3.36Å; T71-Q73 PolarHBondContact O-N 2.91Å; T71-L74 PolarHBondContact O-N 3.26Å; T71-L74 WeakPolarHBondContact OG1-CG 3.49Å; T71-L74 PolarHBondContact OG1-N 3.48Å; T71-L75 PolarHBondContact O-N 2.92Å
72	Q	85	Confident	82	Confident	92 Å²	92	77.6 Å²	77.6	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-60.9	-33.8	178.2	-163.4	179.3	5.5	0	0	112	F60 L74 L75 R76	F60-Q72 HydrophobicContact CD1-CB 3.71Å; F60-Q72 HydrophobicContact CD1-CG 3.81Å; F60-Q72 HydrophobicContact CD2-CB 4.22Å; F60-Q72 HydrophobicContact CE1-CB 3.51Å; F60-Q72 HydrophobicContact CE1-CG 3.76Å; F60-Q72 HydrophobicContact CE2-CB 4.04Å; F60-Q72 HydrophobicContact CG-CB 4.06Å; F60-Q72 HydrophobicContact CZ-CB 3.68Å; F60-Q72 HydrophobicContact CZ-CG 4.41Å; Q72-L74 VanDerWaalsContact C-N 3.32Å; Q72-L74 PolarHBondContact O-N 3.19Å; Q72-L75 PolarHBondContact O-N 3.11Å; Q72-R76 VanDerWaalsContact NE2-NH2 3.18Å; Q72-R76 PolarHBondContact O-N 3.4Å
73	Q	85.3	Confident	81.9	Confident	143 Å²	143	80.8 Å²	80.8	67%	0.668	38%	0.377	S	S	*	.	H	α-helix	trans	-63.7	-37.1	179.1	-64.4	171.6	-3.5	0	0	112.1	T71 K77	T71-Q73 PolarHBondContact O-N 2.91Å; Q73-K77 WeakPolarHBondContact O-CB 3.49Å; Q73-K77 VanDerWaalsContact O-CG 3.3Å; Q73-K77 WeakPolarHBondContact O-CG 3.46Å; Q73-K77 PolarHBondContact O-N 3.31Å; Q73-K77 VanDerWaalsContact O-N 3.11Å
74	L	84.6	Confident	81.9	Confident	80 Å²	80	75.9 Å²	75.9	42%	0.419	37%	0.368	S	S	.	.	H	α-helix	trans	-71	-39.3	175.6	-72	173.6	0	0	0	111.4	F69 T71 Q72 K77 H78	F69-L74 HydrophobicContact CB-CB 4.01Å; F69-L74 HydrophobicContact CD1-CB 3.84Å; F69-L74 HydrophobicContact CG-CB 4.22Å; T71-L74 PolarHBondContact O-N 3.26Å; T71-L74 WeakPolarHBondContact OG1-CG 3.49Å; T71-L74 PolarHBondContact OG1-N 3.48Å; Q72-L74 VanDerWaalsContact C-N 3.32Å; Q72-L74 PolarHBondContact O-N 3.19Å; L74-K77 PolarHBondContact O-N 3.13Å; L74-H78 WeakPolarHBondContact O-CB 3.23Å; L74-H78 PolarHBondContact O-N 3.33Å
75	L	84.9	Confident	81.9	Confident	16 Å²	16	74.9 Å²	74.9	8%	0.084	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-51.4	172.7	173.9	61.5	0	0	0	111	F60 C62 F69 T71 Q72 K77 H78 E79	F60-L75 HydrophobicContact CB-CB 3.9Å; F60-L75 HydrophobicContact CB-CD2 3.75Å; F60-L75 HydrophobicContact CB-CG 4.43Å; C62-L75 HydrophobicContact CB-CD1 3.55Å; F69-L75 HydrophobicContact CB-CB 4.23Å; F69-L75 HydrophobicContact CD2-CB 3.86Å; F69-L75 HydrophobicContact CD2-CD1 3.69Å; F69-L75 HydrophobicContact CD2-CG 4.39Å; F69-L75 HydrophobicContact CE2-CD1 3.84Å; F69-L75 HydrophobicContact CG-CB 4.21Å; T71-L75 PolarHBondContact O-N 2.92Å; Q72-L75 PolarHBondContact O-N 3.11Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 2.79Å; L75-H78 CarbonylContact O-C 3.49Å; L75-H78 WeakPolarHBondContact O-CA 3.47Å; L75-H78 WeakPolarHBondContact O-CB 3.36Å; L75-H78 PolarHBondContact O-N 3.11Å; L75-E79 HydrophobicContact CD1-CG 3.94Å; L75-E79 HydrophobicContact CG-CG 4.24Å; L75-E79 WeakPolarHBondContact O-CG 3.43Å; L75-E79 PolarHBondContact O-N 3.28Å
76	R	86.3	Confident	82	Confident	151 Å²	151	79.4 Å²	79.4	57%	0.57	38%	0.379	S	S	*	.	H	α-helix	trans	-57	-44.1	178.2	-71.9	-173.2	-165.7	178.9	6.6	112.2	Q72 H78 E79 V80	Q72-R76 VanDerWaalsContact NE2-NH2 3.18Å; Q72-R76 PolarHBondContact O-N 3.4Å; R76-H78 PolarHBondContact O-N 3.36Å; R76-E79 PolarHBondContact O-N 3.44Å; R76-V80 WeakPolarHBondContact O-CG2 3.35Å; R76-V80 PolarHBondContact O-N 3.18Å
77	K	83.2	Confident	82.3	Confident	115 Å²	115	80.3 Å²	80.3	50%	0.5	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-27.4	175.7	-76.2	176.1	-176.1	176.4	0	113.3	Q73 L74 L75 V80	Q73-K77 WeakPolarHBondContact O-CB 3.49Å; Q73-K77 VanDerWaalsContact O-CG 3.3Å; Q73-K77 WeakPolarHBondContact O-CG 3.46Å; Q73-K77 PolarHBondContact O-N 3.31Å; Q73-K77 VanDerWaalsContact O-N 3.11Å; L74-K77 PolarHBondContact O-N 3.13Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 2.79Å; K77-V80 WeakPolarHBondContact O-CG2 3.31Å
78	H	84.5	Confident	82.7	Confident	31 Å²	31	77.2 Å²	77.2	14%	0.144	37%	0.371	C	S	.	.	H	α-helix	trans	-80.3	-40.3	174.3	163.5	70.6	0	0	0	111.8	C62 C65 F69 L74 L75 R76 V80 W81 H82	C62-H78 PolarHBondContact SG-NE2 3.01Å; C62-H78 VanDerWaalsContact SG-NE2 3.42Å; C65-H78 VanDerWaalsContact SG-CE1 3.51Å; C65-H78 PolarHBondContact SG-NE2 3.17Å; F69-H78 HydrophobicContact CE1-CB 3.85Å; F69-H78 HydrophobicContact CE2-CB 3.92Å; F69-H78 AromaticContact CE2-CD2 3.4Å; F69-H78 WeakPolarHBondContact CE2-CD2 3.43Å; F69-H78 AromaticContact CE2-CG 3.67Å; F69-H78 HydrophobicContact CZ-CB 3.37Å; F69-H78 AromaticContact CZ-CD2 3.44Å; F69-H78 VanDerWaalsContact CZ-CD2 3.44Å; F69-H78 WeakPolarHBondContact CZ-CD2 3.33Å; F69-H78 AromaticContact CZ-CG 3.21Å; F69-H78 AromaticContact CZ-ND1 3.78Å; L74-H78 WeakPolarHBondContact O-CB 3.23Å; L74-H78 PolarHBondContact O-N 3.33Å; L75-H78 CarbonylContact O-C 3.49Å; L75-H78 WeakPolarHBondContact O-CA 3.47Å; L75-H78 WeakPolarHBondContact O-CB 3.36Å; L75-H78 PolarHBondContact O-N 3.11Å; R76-H78 PolarHBondContact O-N 3.36Å; H78-V80 PolarHBondContact O-N 3.29Å; H78-W81 WeakPolarHBondContact O-CB 3.49Å; H78-W81 PolarHBondContact O-N 2.77Å; H78-H82 AromaticContact CE1-CD2 3.94Å; H78-H82 AromaticContact CE1-NE2 3.54Å; H78-H82 AromaticContact NE2-CD2 3.54Å; H78-H82 AromaticContact NE2-NE2 3.23Å; H78-H82 PolarHBondContact NE2-NE2 3.13Å
79	E	83.3	Confident	83.3	Confident	56 Å²	56	78.8 Å²	78.8	26%	0.262	38%	0.384	S	S	.	.	H	α-helix	trans	-61	-31.2	179.6	-73.3	175.4	150.8	0	0	113.2	L75 R76 W81 H82 T83	L75-E79 HydrophobicContact CD1-CG 3.94Å; L75-E79 HydrophobicContact CG-CG 4.24Å; L75-E79 WeakPolarHBondContact O-CG 3.43Å; L75-E79 PolarHBondContact O-N 3.28Å; R76-E79 PolarHBondContact O-N 3.44Å; E79-W81 PolarHBondContact O-N 3.09Å; E79-W81 VanDerWaalsContact O-N 3.11Å; E79-H82 WeakPolarHBondContact O-CA 3.32Å; E79-H82 WeakPolarHBondContact O-CB 3.3Å; E79-H82 PolarHBondContact O-N 3.48Å; E79-T83 PolarHBondContact O-N 3.38Å
80	V	82.7	Confident	83.5	Confident	30 Å²	30	77 Å²	77	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-56.1	-29	172.9	-137.8	0	0	0	0	112.2	R76 K77 H78 H82 T83 G84 E85	R76-V80 WeakPolarHBondContact O-CG2 3.35Å; R76-V80 PolarHBondContact O-N 3.18Å; K77-V80 WeakPolarHBondContact O-CG2 3.31Å; H78-V80 PolarHBondContact O-N 3.29Å; V80-H82 VanDerWaalsContact C-N 3.32Å; V80-T83 PolarHBondContact O-OG1 3.24Å; V80-T83 VanDerWaalsContact O-OG1 3.12Å; V80-G84 PolarHBondContact O-N 2.85Å; V80-E85 HydrophobicContact CG1-CB 4.29Å; V80-E85 WeakPolarHBondContact CG1-O 3.42Å
81	W	81.6	Confident	84	Confident	163 Å²	163	81.9 Å²	81.9	62%	0.617	41%	0.408	S	S	*	.	H	α-helix	trans	-71.4	-30.8	176.1	-156.2	75.8	0	0	0	112	H78 E79 F98	H78-W81 WeakPolarHBondContact O-CB 3.49Å; H78-W81 PolarHBondContact O-N 2.77Å; E79-W81 PolarHBondContact O-N 3.09Å; E79-W81 VanDerWaalsContact O-N 3.11Å; W81-F98 AromaticContact CD1-CE2 3.84Å; W81-F98 AromaticContact CD1-CZ 3.94Å
82	H	80.8	Confident	84.2	Confident	54 Å²	54	84.5 Å²	84.5	25%	0.25	42%	0.417	C	S	.	.	H	α-helix	trans	-79.9	-31.4	176	-74.8	-63.1	0	0	0	113.5	C62 R64 C65 H78 E79 V80 G84	C62-H82 VanDerWaalsContact SG-CD2 3.56Å; R64-H82 VanDerWaalsContact CD-CB 3.47Å; R64-H82 PolarHBondContact NH1-O 2.81Å; C65-H82 PolarHBondContact SG-NE2 3.49Å; H78-H82 AromaticContact CE1-CD2 3.94Å; H78-H82 AromaticContact CE1-NE2 3.54Å; H78-H82 AromaticContact NE2-CD2 3.54Å; H78-H82 AromaticContact NE2-NE2 3.23Å; H78-H82 PolarHBondContact NE2-NE2 3.13Å; E79-H82 WeakPolarHBondContact O-CA 3.32Å; E79-H82 WeakPolarHBondContact O-CB 3.3Å; E79-H82 PolarHBondContact O-N 3.48Å; V80-H82 VanDerWaalsContact C-N 3.32Å; H82-G84 VanDerWaalsContact C-N 3.25Å
83	T	79.7	Confident	84.3	Confident	68 Å²	68	83 Å²	83	42%	0.417	42%	0.415	S	S	.	.	H	α-helix	trans	-74.5	-22.5	173.7	62	0	0	0	0	111.6	E79 V80 E85	E79-T83 PolarHBondContact O-N 3.38Å; V80-T83 PolarHBondContact O-OG1 3.24Å; V80-T83 VanDerWaalsContact O-OG1 3.12Å; T83-E85 PolarHBondContact O-N 2.77Å; T83-E85 WeakPolarHBondContact OG1-CB 3.49Å; T83-E85 PolarHBondContact OG1-N 3.11Å
84	G	80.2	Confident	84.3	Confident	44 Å²	44	78.6 Å²	78.6	45%	0.454	41%	0.409	S	S	.	.			trans	75.6	2.3	-175	0	0	0	0	0	113	V80 H82 R86	V80-G84 PolarHBondContact O-N 2.85Å; H82-G84 VanDerWaalsContact C-N 3.25Å; G84-R86 PolarHBondContact O-N 3.3Å
85	E	79.7	Confident	84.3	Confident	107 Å²	107	81 Å²	81	50%	0.5	42%	0.416	S	S	.	.			trans	-69.5	121.2	-178	-71	-179.7	177.5	0	0	111.2	V80 T83 F98	V80-E85 HydrophobicContact CG1-CB 4.29Å; V80-E85 WeakPolarHBondContact CG1-O 3.42Å; T83-E85 PolarHBondContact O-N 2.77Å; T83-E85 WeakPolarHBondContact OG1-CB 3.49Å; T83-E85 PolarHBondContact OG1-N 3.11Å; E85-F98 VanDerWaalsContact O-CD1 3.27Å; E85-F98 WeakPolarHBondContact O-CD1 3.5Å
86	R	83.4	Confident	84.3	Confident	142 Å²	142	81.6 Å²	81.6	54%	0.536	42%	0.423	S	S	.	.			trans	-110.7	75.9	179.4	-62.8	178.1	-176.2	-175.7	5	109.6	G84 H88 A96 F97 F98	G84-R86 PolarHBondContact O-N 3.3Å; R86-H88 PolarHBondContact O-N 3.41Å; R86-H88 VanDerWaalsContact O-N 3.14Å; R86-A96 HydrophobicContact CB-CB 3.43Å; R86-A96 VanDerWaalsContact CB-CB 3.43Å; R86-A96 WeakPolarHBondContact CD-O 3.42Å; R86-A96 HydrophobicContact CG-CB 4.36Å; R86-F97 CarbonylContact C-O 3.28Å; R86-F98 HydrophobicContact CG-CD1 4.08Å; R86-F98 HydrophobicContact CG-CE1 3.8Å; R86-F98 HydrophobicContact CG-CE2 4.34Å; R86-F98 HydrophobicContact CG-CG 4.47Å; R86-F98 HydrophobicContact CG-CZ 3.94Å
87	N	85.3	Confident	84.1	Confident	109 Å²	109	76.4 Å²	76.4	58%	0.583	41%	0.405	S	S	*	.			trans	-72.8	-5.9	-169.6	-62.4	-19	0	0	0	114.6	F97	N87-F97 PolarHBondContact N-O 3.31Å
88	H	88.3	Confident	84.2	Confident	59 Å²	59	73.3 Å²	73.3	27%	0.273	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	95.7	-178.8	-56.5	-66.4	0	0	0	110.8	R86 A96 F97 Q99 K100 L103	R86-H88 PolarHBondContact O-N 3.41Å; R86-H88 VanDerWaalsContact O-N 3.14Å; H88-A96 CarbonylContact O-C 3.59Å; H88-A96 WeakPolarHBondContact O-CA 3.46Å; H88-F97 HydrophobicContact CB-CB 4.31Å; H88-F97 WeakPolarHBondContact CB-O 3.16Å; H88-F97 PolarHBondContact N-O 3.42Å; H88-F97 VanDerWaalsContact N-O 3.09Å; H88-F97 WeakPolarHBondContact O-CD2 3.48Å; H88-F97 PolarHBondContact O-N 3.04Å; H88-Q99 VanDerWaalsContact CD2-CA 3.49Å; H88-Q99 WeakPolarHBondContact CD2-CA 3.49Å; H88-K100 PolarHBondContact CD2-N 3.33Å; H88-K100 PolarHBondContact NE2-N 2.86Å; H88-L103 HydrophobicContact CB-CB 4.04Å; H88-L103 HydrophobicContact CB-CD2 3.9Å
89	V	89	Confident	84.2	Confident	84 Å²	84	75.4 Å²	75.4	51%	0.509	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.3	-177.2	-173.4	0	0	0	0	111	S91 K95 A96	V89-S91 PolarHBondContact O-N 3.45Å; V89-K95 CarbonylContact C-O 3.54Å; V89-A96 HydrophobicContact CG2-CB 3.97Å
90	C	84.7	Confident	84.5	Confident	1 Å²	1	79.7 Å²	79.7	1%	0.007	42%	0.419	C	S	.	.			trans	-71.5	120.3	169.4	177.4	0	0	0	0	110	Q92 G94 K95 F97 L103 H106 M107 H110	C90-Q92 PolarHBondContact O-N 2.75Å; C90-Q92 PolarHBondContact SG-N 3.17Å; C90-Q92 VanDerWaalsContact SG-N 3.41Å; C90-G94 VanDerWaalsContact O-CA 3.26Å; C90-G94 WeakPolarHBondContact O-CA 3.37Å; C90-G94 PolarHBondContact O-N 3.38Å; C90-K95 HydrophobicContact CB-CB 4.46Å; C90-K95 WeakPolarHBondContact CB-O 3.26Å; C90-K95 PolarHBondContact N-O 3.41Å; C90-F97 HydrophobicContact CB-CE2 4.42Å; C90-L103 HydrophobicContact CB-CD1 3.79Å; C90-H106 PolarHBondContact SG-NE2 2.75Å; C90-H106 VanDerWaalsContact SG-NE2 3.35Å; C90-M107 HydrophobicContact CB-SD 4.47Å; C90-H110 PolarHBondContact SG-NE2 3.35Å; C90-H110 VanDerWaalsContact SG-NE2 3.41Å
91	S	90.6	Very high	84.7	Confident	116 Å²	116	80.6 Å²	80.6	81%	0.811	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.1	177.9	53.5	0	0	0	0	113.9	V89	V89-S91 PolarHBondContact O-N 3.45Å
92	Q	84.9	Confident	85	Confident	114 Å²	114	76.7 Å²	76.7	53%	0.533	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-32.6	-178.1	-67.5	-167	7.8	0	0	114.2	C90 M107 H110	C90-Q92 PolarHBondContact O-N 2.75Å; C90-Q92 PolarHBondContact SG-N 3.17Å; C90-Q92 VanDerWaalsContact SG-N 3.41Å; Q92-M107 HydrophobicContact CG-CE 4.34Å; Q92-H110 PolarHBondContact OE1-ND1 3.18Å
93	C	86.9	Confident	85.3	Confident	59 Å²	59	75.5 Å²	75.5	40%	0.399	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	1.5	-177	70.5	0	0	0	0	115	K95 H106 H110	C93-K95 PolarHBondContact O-N 2.81Å; C93-K95 VanDerWaalsContact O-N 3.13Å; C93-K95 VanDerWaalsContact SG-CG 3.56Å; C93-H106 PolarHBondContact SG-NE2 2.96Å; C93-H110 PolarHBondContact SG-NE2 3.08Å; C93-H110 VanDerWaalsContact SG-NE2 3.44Å
94	G	86	Confident	85.7	Confident	52 Å²	52	76.5 Å²	76.5	54%	0.536	42%	0.424	S	S	.	.			trans	71.1	1.2	-179.9	0	0	0	0	0	115	C90 A96	C90-G94 VanDerWaalsContact O-CA 3.26Å; C90-G94 WeakPolarHBondContact O-CA 3.37Å; C90-G94 PolarHBondContact O-N 3.38Å; G94-A96 PolarHBondContact O-N 2.95Å
95	K	84.9	Confident	85.9	Confident	129 Å²	129	78.6 Å²	78.6	56%	0.561	42%	0.422	S	S	*	.			trans	-65.9	129.1	177.6	-74	-176.6	-178.5	-174.7	0	111	V89 C90 C93 F97	V89-K95 CarbonylContact C-O 3.54Å; C90-K95 HydrophobicContact CB-CB 4.46Å; C90-K95 WeakPolarHBondContact CB-O 3.26Å; C90-K95 PolarHBondContact N-O 3.41Å; C93-K95 PolarHBondContact O-N 2.81Å; C93-K95 VanDerWaalsContact O-N 3.13Å; C93-K95 VanDerWaalsContact SG-CG 3.56Å; K95-F97 HydrophobicContact CB-CE2 3.95Å; K95-F97 HydrophobicContact CB-CZ 4.08Å; K95-F97 WeakPolarHBondContact O-CE2 3.44Å
96	A	84.4	Confident	86.3	Confident	30 Å²	30	74.2 Å²	74.2	25%	0.248	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.9	-178.3	0	0	0	0	0	112.4	R86 H88 V89 G94	R86-A96 HydrophobicContact CB-CB 3.43Å; R86-A96 VanDerWaalsContact CB-CB 3.43Å; R86-A96 WeakPolarHBondContact CD-O 3.42Å; R86-A96 HydrophobicContact CG-CB 4.36Å; H88-A96 CarbonylContact O-C 3.59Å; H88-A96 WeakPolarHBondContact O-CA 3.46Å; V89-A96 HydrophobicContact CG2-CB 3.97Å; G94-A96 PolarHBondContact O-N 2.95Å
97	F	82.9	Confident	86.4	Confident	42 Å²	42	69.4 Å²	69.4	18%	0.184	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.2	-176.3	-58.2	-89.1	0	0	0	111.6	R86 N87 H88 C90 K95 Q99 H102 L103 H106	R86-F97 CarbonylContact C-O 3.28Å; N87-F97 PolarHBondContact N-O 3.31Å; H88-F97 HydrophobicContact CB-CB 4.31Å; H88-F97 WeakPolarHBondContact CB-O 3.16Å; H88-F97 PolarHBondContact N-O 3.42Å; H88-F97 VanDerWaalsContact N-O 3.09Å; H88-F97 WeakPolarHBondContact O-CD2 3.48Å; H88-F97 PolarHBondContact O-N 3.04Å; C90-F97 HydrophobicContact CB-CE2 4.42Å; K95-F97 HydrophobicContact CB-CE2 3.95Å; K95-F97 HydrophobicContact CB-CZ 4.08Å; K95-F97 WeakPolarHBondContact O-CE2 3.44Å; F97-Q99 VanDerWaalsContact C-N 3.34Å; F97-H102 HydrophobicContact CB-CB 4.22Å; F97-H102 HydrophobicContact CD1-CB 3.94Å; F97-H102 HydrophobicContact CG-CB 4.32Å; F97-L103 HydrophobicContact CB-CB 4.4Å; F97-L103 HydrophobicContact CD2-CB 3.89Å; F97-L103 HydrophobicContact CD2-CD1 3.83Å; F97-L103 HydrophobicContact CD2-CG 4.46Å; F97-L103 HydrophobicContact CE2-CD1 3.92Å; F97-L103 HydrophobicContact CG-CB 4.33Å; F97-H106 HydrophobicContact CE1-CB 3.98Å; F97-H106 HydrophobicContact CE2-CB 3.85Å; F97-H106 AromaticContact CE2-CD2 3.46Å; F97-H106 VanDerWaalsContact CE2-CD2 3.46Å; F97-H106 WeakPolarHBondContact CE2-CD2 3.14Å; F97-H106 AromaticContact CE2-CG 3.6Å; F97-H106 HydrophobicContact CZ-CB 3.42Å; F97-H106 VanDerWaalsContact CZ-CB 3.42Å; F97-H106 AromaticContact CZ-CD2 3.58Å; F97-H106 AromaticContact CZ-CG 3.23Å; F97-H106 AromaticContact CZ-ND1 3.63Å
98	F	84.9	Confident	86.4	Confident	50 Å²	50	67.4 Å²	67.4	22%	0.219	37%	0.374	C	S	.	.	S	Bend	trans	-73.4	-23.6	177.1	-62.8	-76.5	0	0	0	113.9	W81 E85 R86	W81-F98 AromaticContact CD1-CE2 3.84Å; W81-F98 AromaticContact CD1-CZ 3.94Å; E85-F98 VanDerWaalsContact O-CD1 3.27Å; E85-F98 WeakPolarHBondContact O-CD1 3.5Å; R86-F98 HydrophobicContact CG-CD1 4.08Å; R86-F98 HydrophobicContact CG-CE1 3.8Å; R86-F98 HydrophobicContact CG-CE2 4.34Å; R86-F98 HydrophobicContact CG-CG 4.47Å; R86-F98 HydrophobicContact CG-CZ 3.94Å
99	Q	84.4	Confident	86.2	Confident	75 Å²	75	68.7 Å²	68.7	35%	0.35	38%	0.382	S	S	.	.	S	Bend	trans	-135.4	137.8	-175.6	-61.7	-176.7	13.2	0	0	110.7	H88 F97 G101 H102 L103	H88-Q99 VanDerWaalsContact CD2-CA 3.49Å; H88-Q99 WeakPolarHBondContact CD2-CA 3.49Å; F97-Q99 VanDerWaalsContact C-N 3.34Å; Q99-G101 PolarHBondContact O-N 3.45Å; Q99-H102 WeakPolarHBondContact O-CB 3.42Å; Q99-H102 PolarHBondContact O-N 3.17Å; Q99-L103 PolarHBondContact O-N 2.99Å
100	K	89	Confident	86	Confident	146 Å²	146	67.7 Å²	67.7	64%	0.635	37%	0.371	S	S	*	.	H	α-helix	trans	-53.6	-39.5	176.8	-170.8	176.7	-179.5	178.3	0	112.4	H88 H102 L103 T104	H88-K100 PolarHBondContact CD2-N 3.33Å; H88-K100 PolarHBondContact NE2-N 2.86Å; K100-H102 VanDerWaalsContact C-N 3.31Å; K100-H102 PolarHBondContact O-N 3.24Å; K100-L103 WeakPolarHBondContact O-CB 3.34Å; K100-L103 PolarHBondContact O-N 3.4Å; K100-L103 VanDerWaalsContact O-N 3.14Å; K100-T104 PolarHBondContact O-N 2.98Å; K100-T104 PolarHBondContact O-OG1 3.4Å
101	G	87.6	Confident	85.8	Confident	49 Å²	49	73.3 Å²	73.3	51%	0.505	40%	0.402	S	S	.	.	H	α-helix	trans	-60.2	-37.2	178	0	0	0	0	0	113.5	Q99 T104 Q105	Q99-G101 PolarHBondContact O-N 3.45Å; G101-T104 PolarHBondContact O-N 3.02Å; G101-Q105 WeakPolarHBondContact O-CB 3.5Å; G101-Q105 PolarHBondContact O-N 3.27Å
102	H	86.9	Confident	85.3	Confident	81 Å²	81	69.5 Å²	69.5	38%	0.375	38%	0.381	S	S	.	.	H	α-helix	trans	-70.3	-37.4	175.5	-60.8	162.5	0	0	0	111.7	F97 Q99 K100 Q105 H106	F97-H102 HydrophobicContact CB-CB 4.22Å; F97-H102 HydrophobicContact CD1-CB 3.94Å; F97-H102 HydrophobicContact CG-CB 4.32Å; Q99-H102 WeakPolarHBondContact O-CB 3.42Å; Q99-H102 PolarHBondContact O-N 3.17Å; K100-H102 VanDerWaalsContact C-N 3.31Å; K100-H102 PolarHBondContact O-N 3.24Å; H102-Q105 PolarHBondContact O-N 3.13Å; H102-H106 VanDerWaalsContact O-CB 3.26Å; H102-H106 WeakPolarHBondContact O-CB 3.29Å; H102-H106 PolarHBondContact O-N 3.48Å
103	L	87.6	Confident	84.9	Confident	29 Å²	29	65.2 Å²	65.2	15%	0.152	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-48.8	171.9	172.8	61.1	0	0	0	110.8	H88 C90 F97 Q99 K100 Q105 H106 M107	H88-L103 HydrophobicContact CB-CB 4.04Å; H88-L103 HydrophobicContact CB-CD2 3.9Å; C90-L103 HydrophobicContact CB-CD1 3.79Å; F97-L103 HydrophobicContact CB-CB 4.4Å; F97-L103 HydrophobicContact CD2-CB 3.89Å; F97-L103 HydrophobicContact CD2-CD1 3.83Å; F97-L103 HydrophobicContact CD2-CG 4.46Å; F97-L103 HydrophobicContact CE2-CD1 3.92Å; F97-L103 HydrophobicContact CG-CB 4.33Å; Q99-L103 PolarHBondContact O-N 2.99Å; K100-L103 WeakPolarHBondContact O-CB 3.34Å; K100-L103 PolarHBondContact O-N 3.4Å; K100-L103 VanDerWaalsContact O-N 3.14Å; L103-Q105 VanDerWaalsContact C-N 3.3Å; L103-Q105 PolarHBondContact O-N 2.96Å; L103-H106 CarbonylContact O-C 3.42Å; L103-H106 WeakPolarHBondContact O-CA 3.3Å; L103-H106 WeakPolarHBondContact O-CB 3.34Å; L103-H106 PolarHBondContact O-N 3.34Å; L103-M107 HydrophobicContact CD1-CG 4.29Å; L103-M107 HydrophobicContact CD1-SD 4.15Å; L103-M107 WeakPolarHBondContact O-CG 3.45Å; L103-M107 PolarHBondContact O-N 3.45Å
104	T	88.1	Confident	84.7	Confident	88 Å²	88	67.6 Å²	67.6	54%	0.54	37%	0.367	S	S	.	.	H	α-helix	trans	-57	-45	176.8	-57.3	0	0	0	0	111.5	K100 G101 H106 M107	K100-T104 PolarHBondContact O-N 2.98Å; K100-T104 PolarHBondContact O-OG1 3.4Å; G101-T104 PolarHBondContact O-N 3.02Å; T104-H106 VanDerWaalsContact C-N 3.31Å; T104-H106 PolarHBondContact O-N 3.47Å; T104-M107 PolarHBondContact O-N 3.36Å
105	Q	85	Confident	84.5	Confident	89 Å²	89	69.1 Å²	69.1	42%	0.416	37%	0.368	S	S	.	.	H	α-helix	trans	-60.9	-41.8	175.3	-178.9	179.6	35.5	0	0	111.5	G101 H102 L103 M108 F127	G101-Q105 WeakPolarHBondContact O-CB 3.5Å; G101-Q105 PolarHBondContact O-N 3.27Å; H102-Q105 PolarHBondContact O-N 3.13Å; L103-Q105 VanDerWaalsContact C-N 3.3Å; L103-Q105 PolarHBondContact O-N 2.96Å; Q105-M108 VanDerWaalsContact O-CB 3.27Å; Q105-M108 WeakPolarHBondContact O-CB 3.26Å; Q105-M108 WeakPolarHBondContact O-CG 3.47Å; Q105-M108 PolarHBondContact O-N 2.82Å; Q105-F127 HydrophobicContact CB-CE1 4.4Å; Q105-F127 HydrophobicContact CG-CD1 3.76Å; Q105-F127 HydrophobicContact CG-CE1 3.05Å; Q105-F127 HydrophobicContact CG-CZ 3.6Å
106	H	86.5	Confident	84.5	Confident	15 Å²	15	65.8 Å²	65.8	7%	0.069	35%	0.354	C	S	.	.	H	α-helix	trans	-64	-37.5	176.6	166	72.7	0	0	0	112.8	C90 C93 F97 H102 L103 T104 M108 I109 H110	C90-H106 PolarHBondContact SG-NE2 2.75Å; C90-H106 VanDerWaalsContact SG-NE2 3.35Å; C93-H106 PolarHBondContact SG-NE2 2.96Å; F97-H106 HydrophobicContact CE1-CB 3.98Å; F97-H106 HydrophobicContact CE2-CB 3.85Å; F97-H106 AromaticContact CE2-CD2 3.46Å; F97-H106 VanDerWaalsContact CE2-CD2 3.46Å; F97-H106 WeakPolarHBondContact CE2-CD2 3.14Å; F97-H106 AromaticContact CE2-CG 3.6Å; F97-H106 HydrophobicContact CZ-CB 3.42Å; F97-H106 VanDerWaalsContact CZ-CB 3.42Å; F97-H106 AromaticContact CZ-CD2 3.58Å; F97-H106 AromaticContact CZ-CG 3.23Å; F97-H106 AromaticContact CZ-ND1 3.63Å; H102-H106 VanDerWaalsContact O-CB 3.26Å; H102-H106 WeakPolarHBondContact O-CB 3.29Å; H102-H106 PolarHBondContact O-N 3.48Å; L103-H106 CarbonylContact O-C 3.42Å; L103-H106 WeakPolarHBondContact O-CA 3.3Å; L103-H106 WeakPolarHBondContact O-CB 3.34Å; L103-H106 PolarHBondContact O-N 3.34Å; T104-H106 VanDerWaalsContact C-N 3.31Å; T104-H106 PolarHBondContact O-N 3.47Å; H106-M108 PolarHBondContact O-N 3.35Å; H106-M108 VanDerWaalsContact O-N 3.11Å; H106-I109 VanDerWaalsContact O-CB 3.23Å; H106-I109 WeakPolarHBondContact O-CB 3.37Å; H106-I109 WeakPolarHBondContact O-CG1 3.47Å; H106-I109 PolarHBondContact O-N 3.04Å; H106-H110 AromaticContact CE1-NE2 3.69Å; H106-H110 AromaticContact NE2-CD2 3.6Å; H106-H110 AromaticContact NE2-NE2 3.3Å; H106-H110 PolarHBondContact NE2-NE2 2.78Å
107	M	85.7	Confident	84.6	Confident	41 Å²	41	66.7 Å²	66.7	20%	0.202	36%	0.361	C	S	.	.	H	α-helix	trans	-60.5	-21.8	177	-66	-52.4	-65.8	0	0	113.2	C90 Q92 L103 T104 I109 H110 N111	C90-M107 HydrophobicContact CB-SD 4.47Å; Q92-M107 HydrophobicContact CG-CE 4.34Å; L103-M107 HydrophobicContact CD1-CG 4.29Å; L103-M107 HydrophobicContact CD1-SD 4.15Å; L103-M107 WeakPolarHBondContact O-CG 3.45Å; L103-M107 PolarHBondContact O-N 3.45Å; T104-M107 PolarHBondContact O-N 3.36Å; M107-I109 PolarHBondContact O-N 2.98Å; M107-H110 HydrophobicContact CE-CB 4.41Å; M107-H110 WeakPolarHBondContact O-CB 3.31Å; M107-H110 PolarHBondContact O-N 3.28Å; M107-H110 VanDerWaalsContact O-N 3.1Å; M107-N111 PolarHBondContact O-N 3.44Å
108	M	86.4	Confident	84.6	Confident	67 Å²	67	64.8 Å²	64.8	33%	0.33	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-27.7	172.6	-61.4	-68	-70.1	0	0	112.7	Q105 H106 G112 G113 P115 I126	Q105-M108 VanDerWaalsContact O-CB 3.27Å; Q105-M108 WeakPolarHBondContact O-CB 3.26Å; Q105-M108 WeakPolarHBondContact O-CG 3.47Å; Q105-M108 PolarHBondContact O-N 2.82Å; H106-M108 PolarHBondContact O-N 3.35Å; H106-M108 VanDerWaalsContact O-N 3.11Å; M108-G112 PolarHBondContact O-N 2.88Å; M108-G113 PolarHBondContact O-N 3.36Å; M108-P115 HydrophobicContact CE-CG 4.23Å; M108-I126 HydrophobicContact CB-CG2 3.56Å
109	I	83.7	Confident	84.6	Confident	86 Å²	86	67.9 Å²	67.9	44%	0.441	37%	0.372	S	S	.	.	H	α-helix	trans	-66.9	-42.9	175.6	-55.9	171.7	0	0	0	110.3	H106 M107 G112 I126 F127	H106-I109 VanDerWaalsContact O-CB 3.23Å; H106-I109 WeakPolarHBondContact O-CB 3.37Å; H106-I109 WeakPolarHBondContact O-CG1 3.47Å; H106-I109 PolarHBondContact O-N 3.04Å; M107-I109 PolarHBondContact O-N 2.98Å; I109-G112 PolarHBondContact O-N 3.05Å; I109-I126 HydrophobicContact CB-CD1 4.2Å; I109-I126 HydrophobicContact CG1-CD1 3.82Å; I109-I126 HydrophobicContact CG2-CD1 4.36Å; I109-F127 HydrophobicContact CD1-CZ 4.48Å; I109-F127 HydrophobicContact CG1-CZ 4.38Å
110	H	84.1	Confident	84.4	Confident	62 Å²	62	68.9 Å²	68.9	29%	0.287	38%	0.383	S	S	.	.	H	α-helix	trans	-69.7	-42.4	-179.9	-77.3	-62	0	0	0	112.8	C90 Q92 C93 H106 M107 G112	C90-H110 PolarHBondContact SG-NE2 3.35Å; C90-H110 VanDerWaalsContact SG-NE2 3.41Å; Q92-H110 PolarHBondContact OE1-ND1 3.18Å; C93-H110 PolarHBondContact SG-NE2 3.08Å; C93-H110 VanDerWaalsContact SG-NE2 3.44Å; H106-H110 AromaticContact CE1-NE2 3.69Å; H106-H110 AromaticContact NE2-CD2 3.6Å; H106-H110 AromaticContact NE2-NE2 3.3Å; H106-H110 PolarHBondContact NE2-NE2 2.78Å; M107-H110 HydrophobicContact CE-CB 4.41Å; M107-H110 WeakPolarHBondContact O-CB 3.31Å; M107-H110 PolarHBondContact O-N 3.28Å; M107-H110 VanDerWaalsContact O-N 3.1Å; H110-G112 PolarHBondContact O-N 3.3Å
111	N	82.2	Confident	84.2	Confident	120 Å²	120	64.3 Å²	64.3	64%	0.642	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.7	178.4	-63.9	-4.9	0	0	0	112.9	M107 G113	M107-N111 PolarHBondContact O-N 3.44Å; N111-G113 PolarHBondContact O-N 2.86Å; N111-G113 VanDerWaalsContact O-N 3.15Å
112	G	78.6	Confident	84	Confident	36 Å²	36	66.6 Å²	66.6	37%	0.371	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	14.4	-174.8	0	0	0	0	0	114	M108 I109 H110 R114	M108-G112 PolarHBondContact O-N 2.88Å; I109-G112 PolarHBondContact O-N 3.05Å; H110-G112 PolarHBondContact O-N 3.3Å; G112-R114 PolarHBondContact O-N 3.45Å; G112-R114 VanDerWaalsContact O-N 3.07Å
113	G	77.3	Confident	83.9	Confident	23 Å²	23	69 Å²	69	24%	0.237	39%	0.386	C	S	.	.			trans	-67.1	106.6	-177	0	0	0	0	0	110.9	M108 N111 P115	M108-G113 PolarHBondContact O-N 3.36Å; N111-G113 PolarHBondContact O-N 2.86Å; N111-G113 VanDerWaalsContact O-N 3.15Å; G113-P115 WeakPolarHBondContact O-CD 3.48Å
114	R	81.9	Confident	83.8	Confident	109 Å²	109	71 Å²	71	41%	0.411	40%	0.399	S	S	.	.			trans	-114.9	70.1	177.1	-65.4	-178.7	171.3	96.1	-4	111.3	G112 H116 T124 F125 I126	G112-R114 PolarHBondContact O-N 3.45Å; G112-R114 VanDerWaalsContact O-N 3.07Å; R114-H116 PolarHBondContact O-N 2.88Å; R114-T124 VanDerWaalsContact CD-OG1 3.25Å; R114-T124 WeakPolarHBondContact CD-OG1 3.35Å; R114-F125 CarbonylContact C-O 3.59Å; R114-F125 VanDerWaalsContact C-O 3.28Å; R114-F125 WeakPolarHBondContact CA-O 3.46Å; R114-I126 HydrophobicContact CG-CG1 3.8Å
115	P	81.9	Confident	83.6	Confident	84 Å²	84	68.6 Å²	68.6	55%	0.545	38%	0.382	S	S	.	.			trans	-69.9	-12.4	-172.4	29.3	-36.2	0	0	0	114	M108 G113	M108-P115 HydrophobicContact CE-CG 4.23Å; G113-P115 WeakPolarHBondContact O-CD 3.48Å
116	H	85.9	Confident	83.6	Confident	59 Å²	59	65.8 Å²	65.8	27%	0.273	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	95.8	-173.5	-58.1	-60.4	0	0	0	111.4	R114 T124 F125 I126 K128 L131	R114-H116 PolarHBondContact O-N 2.88Å; H116-T124 CarbonylContact O-C 3.57Å; H116-T124 WeakPolarHBondContact O-CA 3.45Å; H116-F125 HydrophobicContact CB-CB 4.26Å; H116-F125 WeakPolarHBondContact CB-O 3.26Å; H116-F125 PolarHBondContact N-O 3.24Å; H116-F125 VanDerWaalsContact N-O 3.08Å; H116-F125 WeakPolarHBondContact O-CD2 3.37Å; H116-F125 PolarHBondContact O-N 3.45Å; H116-I126 PolarHBondContact CD2-O 3.14Å; H116-I126 VanDerWaalsContact CD2-O 3.28Å; H116-K128 PolarHBondContact CD2-N 3.11Å; H116-K128 PolarHBondContact NE2-N 3.24Å; H116-L131 HydrophobicContact CB-CB 4.13Å; H116-L131 HydrophobicContact CB-CD2 3.93Å
117	A	86.3	Confident	83.5	Confident	49 Å²	49	66.9 Å²	66.9	41%	0.405	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	139.3	176.2	0	0	0	0	0	112.4	K123 T124	A117-K123 CarbonylContact C-O 3.59Å; A117-T124 HydrophobicContact CB-CG2 4Å
118	C	83.2	Confident	83.5	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.014	39%	0.393	C	S	.	.			trans	-75.2	124	164.6	179.9	0	0	0	0	109.5	V120 S122 K123 F125 L131 H134 H138	C118-V120 VanDerWaalsContact C-N 3.27Å; C118-V120 PolarHBondContact O-N 3.25Å; C118-V120 PolarHBondContact SG-N 3.22Å; C118-V120 VanDerWaalsContact SG-N 3.37Å; C118-S122 WeakPolarHBondContact O-CA 3.36Å; C118-S122 PolarHBondContact O-N 3.41Å; C118-K123 WeakPolarHBondContact CB-O 3.45Å; C118-K123 PolarHBondContact N-O 2.85Å; C118-F125 HydrophobicContact CB-CE2 4.28Å; C118-L131 HydrophobicContact CB-CD1 3.82Å; C118-H134 WeakPolarHBondContact CB-NE2 3.44Å; C118-H134 PolarHBondContact SG-NE2 2.95Å; C118-H138 PolarHBondContact SG-NE2 3.26Å
119	L	83.6	Confident	83.5	Confident	115 Å²	115	73.4 Å²	73.4	60%	0.602	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.1	178.1	-60.5	178.3	0	0	0	113.6
120	V	81	Confident	83.6	Confident	96 Å²	96	70.3 Å²	70.3	58%	0.582	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-40.7	-179.4	-175.8	0	0	0	0	111.7	C118 H138	C118-V120 VanDerWaalsContact C-N 3.27Å; C118-V120 PolarHBondContact O-N 3.25Å; C118-V120 PolarHBondContact SG-N 3.22Å; C118-V120 VanDerWaalsContact SG-N 3.37Å; V120-H138 HydrophobicContact CG1-CB 4.47Å; V120-H138 WeakPolarHBondContact CG1-ND1 3.48Å
121	C	84.6	Confident	83.7	Confident	50 Å²	50	68.5 Å²	68.5	34%	0.338	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	10.3	-176.8	71.1	0	0	0	0	114.7	K123 H134	C121-K123 PolarHBondContact O-N 3.16Å; C121-H134 PolarHBondContact SG-CE1 3.19Å; C121-H134 PolarHBondContact SG-NE2 3.3Å
122	S	84.5	Confident	83.9	Confident	97 Å²	97	66.7 Å²	66.7	68%	0.678	37%	0.366	S	S	*	.			trans	61.4	3.4	178.1	-55.4	0	0	0	0	116.6	C118 T124	C118-S122 WeakPolarHBondContact O-CA 3.36Å; C118-S122 PolarHBondContact O-N 3.41Å; S122-T124 PolarHBondContact O-N 3.26Å
123	K	83.6	Confident	84.2	Confident	133 Å²	133	68.9 Å²	68.9	58%	0.578	36%	0.363	S	S	*	.			trans	-59.6	133.9	172.7	-71.9	-171.9	-178.5	-164.1	0	110.9	A117 C118 C121 F125	A117-K123 CarbonylContact C-O 3.59Å; C118-K123 WeakPolarHBondContact CB-O 3.45Å; C118-K123 PolarHBondContact N-O 2.85Å; C121-K123 PolarHBondContact O-N 3.16Å; K123-F125 HydrophobicContact CB-CE2 3.88Å; K123-F125 HydrophobicContact CB-CZ 3.97Å; K123-F125 WeakPolarHBondContact O-CE2 3.47Å
124	T	85.9	Confident	84.5	Confident	69 Å²	69	68.8 Å²	68.8	42%	0.423	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.7	-178.7	60.6	0	0	0	0	111.7	R114 H116 A117 S122	R114-T124 VanDerWaalsContact CD-OG1 3.25Å; R114-T124 WeakPolarHBondContact CD-OG1 3.35Å; H116-T124 CarbonylContact O-C 3.57Å; H116-T124 WeakPolarHBondContact O-CA 3.45Å; A117-T124 HydrophobicContact CB-CG2 4Å; S122-T124 PolarHBondContact O-N 3.26Å
125	F	84.1	Confident	84.5	Confident	39 Å²	39	66.6 Å²	66.6	17%	0.171	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.4	-174.8	-58.9	-87.6	0	0	0	110.5	R114 H116 C118 K123 D130 L131 H134	R114-F125 CarbonylContact C-O 3.59Å; R114-F125 VanDerWaalsContact C-O 3.28Å; R114-F125 WeakPolarHBondContact CA-O 3.46Å; H116-F125 HydrophobicContact CB-CB 4.26Å; H116-F125 WeakPolarHBondContact CB-O 3.26Å; H116-F125 PolarHBondContact N-O 3.24Å; H116-F125 VanDerWaalsContact N-O 3.08Å; H116-F125 WeakPolarHBondContact O-CD2 3.37Å; H116-F125 PolarHBondContact O-N 3.45Å; C118-F125 HydrophobicContact CB-CE2 4.28Å; K123-F125 HydrophobicContact CB-CE2 3.88Å; K123-F125 HydrophobicContact CB-CZ 3.97Å; K123-F125 WeakPolarHBondContact O-CE2 3.47Å; F125-D130 HydrophobicContact CB-CB 4.09Å; F125-D130 HydrophobicContact CD1-CB 3.7Å; F125-D130 HydrophobicContact CG-CB 4.17Å; F125-L131 HydrophobicContact CB-CB 4.27Å; F125-L131 HydrophobicContact CD2-CB 3.85Å; F125-L131 HydrophobicContact CD2-CD1 3.83Å; F125-L131 HydrophobicContact CD2-CG 4.44Å; F125-L131 HydrophobicContact CE2-CD1 3.97Å; F125-L131 HydrophobicContact CG-CB 4.19Å; F125-H134 HydrophobicContact CE1-CB 3.9Å; F125-H134 HydrophobicContact CE2-CB 3.92Å; F125-H134 AromaticContact CE2-CD2 3.37Å; F125-H134 WeakPolarHBondContact CE2-CD2 3.34Å; F125-H134 AromaticContact CE2-CG 3.69Å; F125-H134 HydrophobicContact CZ-CB 3.38Å; F125-H134 AromaticContact CZ-CD2 3.43Å; F125-H134 VanDerWaalsContact CZ-CD2 3.43Å; F125-H134 WeakPolarHBondContact CZ-CD2 3.23Å; F125-H134 AromaticContact CZ-CG 3.25Å; F125-H134 AromaticContact CZ-ND1 3.88Å
126	I	84.9	Confident	84.7	Confident	30 Å²	30	70.7 Å²	70.7	15%	0.154	36%	0.362	C	S	.	.	S	Bend	trans	-74.3	-40.9	177.5	-55.6	175.2	0	0	0	109.9	M108 I109 R114 H116	M108-I126 HydrophobicContact CB-CG2 3.56Å; I109-I126 HydrophobicContact CB-CD1 4.2Å; I109-I126 HydrophobicContact CG1-CD1 3.82Å; I109-I126 HydrophobicContact CG2-CD1 4.36Å; R114-I126 HydrophobicContact CG-CG1 3.8Å; H116-I126 PolarHBondContact CD2-O 3.14Å; H116-I126 VanDerWaalsContact CD2-O 3.28Å
127	F	84.6	Confident	84.6	Confident	38 Å²	38	72.8 Å²	72.8	17%	0.167	38%	0.379	C	S	.	.	S	Bend	trans	-115.2	144.5	-178.3	-50.4	-51.2	0	0	0	112.7	Q105 I109 F129 D130 L131	Q105-F127 HydrophobicContact CB-CE1 4.4Å; Q105-F127 HydrophobicContact CG-CD1 3.76Å; Q105-F127 HydrophobicContact CG-CE1 3.05Å; Q105-F127 HydrophobicContact CG-CZ 3.6Å; I109-F127 HydrophobicContact CD1-CZ 4.48Å; I109-F127 HydrophobicContact CG1-CZ 4.38Å; F127-F129 HydrophobicContact CB-CD1 3.55Å; F127-F129 HydrophobicContact CB-CE1 3.78Å; F127-F129 HydrophobicContact CD2-CD1 4.35Å; F127-F129 AromaticContact CD2-CE1 3.72Å; F127-F129 HydrophobicContact CD2-CE1 3.72Å; F127-F129 HydrophobicContact CG-CD1 4.27Å; F127-F129 HydrophobicContact CG-CE1 4.1Å; F127-F129 PolarHBondContact O-N 2.75Å; F127-D130 WeakPolarHBondContact CB-OD2 3.27Å; F127-D130 WeakPolarHBondContact CD2-OD2 3.34Å; F127-D130 WeakPolarHBondContact O-CB 3.41Å; F127-D130 PolarHBondContact O-N 3.02Å; F127-D130 VanDerWaalsContact O-N 3.15Å; F127-L131 PolarHBondContact O-N 3.34Å
128	K	85.6	Confident	84.4	Confident	137 Å²	137	73.1 Å²	73.1	60%	0.596	37%	0.372	S	S	*	.	H	α-helix	trans	-59.8	-33.6	177.2	-173.1	177.9	-179.3	-178.5	0	112.6	H116 D130 L131 N132	H116-K128 PolarHBondContact CD2-N 3.11Å; H116-K128 PolarHBondContact NE2-N 3.24Å; K128-D130 VanDerWaalsContact C-N 3.34Å; K128-L131 PolarHBondContact O-N 2.97Å; K128-N132 PolarHBondContact O-N 3.18Å
129	F	85.7	Confident	83.7	Confident	108 Å²	108	76.3 Å²	76.3	47%	0.474	41%	0.405	S	S	.	.	H	α-helix	trans	-66.4	-37.2	178.7	94.3	-94.1	0	0	0	111.5	F127 N132 R133	F127-F129 HydrophobicContact CB-CD1 3.55Å; F127-F129 HydrophobicContact CB-CE1 3.78Å; F127-F129 HydrophobicContact CD2-CD1 4.35Å; F127-F129 AromaticContact CD2-CE1 3.72Å; F127-F129 HydrophobicContact CD2-CE1 3.72Å; F127-F129 HydrophobicContact CG-CD1 4.27Å; F127-F129 HydrophobicContact CG-CE1 4.1Å; F127-F129 PolarHBondContact O-N 2.75Å; F129-N132 PolarHBondContact O-N 2.84Å; F129-R133 WeakPolarHBondContact O-CB 3.41Å; F129-R133 PolarHBondContact O-N 3.02Å
130	D	86.5	Confident	82.2	Confident	21 Å²	21	76 Å²	76	11%	0.112	41%	0.408	C	S	.	.	H	α-helix	trans	-65.3	-43.5	176.2	-67.5	-56.1	0	0	0	110.8	F125 F127 K128 R133 H134	F125-D130 HydrophobicContact CB-CB 4.09Å; F125-D130 HydrophobicContact CD1-CB 3.7Å; F125-D130 HydrophobicContact CG-CB 4.17Å; F127-D130 WeakPolarHBondContact CB-OD2 3.27Å; F127-D130 WeakPolarHBondContact CD2-OD2 3.34Å; F127-D130 WeakPolarHBondContact O-CB 3.41Å; F127-D130 PolarHBondContact O-N 3.02Å; F127-D130 VanDerWaalsContact O-N 3.15Å; K128-D130 VanDerWaalsContact C-N 3.34Å; D130-R133 PolarHBondContact O-N 3.38Å; D130-R133 IonicContact OD1-CZ 3.92Å; D130-R133 IonicContact OD1-NH1 3.22Å; D130-R133 IonicContact OD1-NH2 3.13Å; D130-R133 PolarHBondContact OD1-NH2 2.89Å; D130-H134 VanDerWaalsContact O-CB 3.31Å; D130-H134 WeakPolarHBondContact O-CB 3.4Å; D130-H134 PolarHBondContact O-N 3.21Å
131	L	85.9	Confident	80.7	Confident	23 Å²	23	75.7 Å²	75.7	12%	0.12	41%	0.411	C	S	.	.	H	α-helix	trans	-58.2	-48.7	172.3	172.1	61.9	0	0	0	110.8	H116 C118 F125 F127 K128 R133 H134 L135	H116-L131 HydrophobicContact CB-CB 4.13Å; H116-L131 HydrophobicContact CB-CD2 3.93Å; C118-L131 HydrophobicContact CB-CD1 3.82Å; F125-L131 HydrophobicContact CB-CB 4.27Å; F125-L131 HydrophobicContact CD2-CB 3.85Å; F125-L131 HydrophobicContact CD2-CD1 3.83Å; F125-L131 HydrophobicContact CD2-CG 4.44Å; F125-L131 HydrophobicContact CE2-CD1 3.97Å; F125-L131 HydrophobicContact CG-CB 4.19Å; F127-L131 PolarHBondContact O-N 3.34Å; K128-L131 PolarHBondContact O-N 2.97Å; L131-R133 VanDerWaalsContact C-N 3.33Å; L131-R133 PolarHBondContact O-N 3.38Å; L131-H134 CarbonylContact O-C 3.6Å; L131-H134 WeakPolarHBondContact O-CA 3.37Å; L131-H134 WeakPolarHBondContact O-CB 3.28Å; L131-H134 PolarHBondContact O-N 3.07Å; L131-H134 VanDerWaalsContact O-N 3.14Å; L131-L135 HydrophobicContact CD1-CD1 4.37Å; L131-L135 HydrophobicContact CD1-CD2 4.31Å; L131-L135 HydrophobicContact CD1-CG 4.05Å; L131-L135 HydrophobicContact CG-CD1 4.21Å; L131-L135 HydrophobicContact CG-CG 4.33Å; L131-L135 WeakPolarHBondContact O-CG 3.27Å; L131-L135 PolarHBondContact O-N 3.39Å
132	N	86.1	Confident	78.8	Confident	82 Å²	82	82.1 Å²	82.1	44%	0.439	43%	0.433	S	S	.	.	H	α-helix	trans	-61.7	-40.3	179.6	-77	-17.5	0	0	0	112.5	K128 F129 H134 L135 K136	K128-N132 PolarHBondContact O-N 3.18Å; F129-N132 PolarHBondContact O-N 2.84Å; N132-H134 VanDerWaalsContact C-N 3.33Å; N132-L135 PolarHBondContact O-N 3.36Å; N132-K136 PolarHBondContact O-N 3.28Å
133	R	84.2	Confident	77.2	Confident	82 Å²	82	81.2 Å²	81.2	31%	0.309	44%	0.438	S	S	.	.	H	α-helix	trans	-63.4	-43.1	174	-175.9	179	62.9	-143.1	-14.7	110.5	F129 D130 L131 K136 M203	F129-R133 WeakPolarHBondContact O-CB 3.41Å; F129-R133 PolarHBondContact O-N 3.02Å; D130-R133 PolarHBondContact O-N 3.38Å; D130-R133 IonicContact OD1-CZ 3.92Å; D130-R133 IonicContact OD1-NH1 3.22Å; D130-R133 IonicContact OD1-NH2 3.13Å; D130-R133 PolarHBondContact OD1-NH2 2.89Å; L131-R133 VanDerWaalsContact C-N 3.33Å; L131-R133 PolarHBondContact O-N 3.38Å; R133-K136 WeakPolarHBondContact O-CB 3.35Å; R133-K136 PolarHBondContact O-N 2.95Å; R133-M203 PolarHBondContact NH1-SD 2.88Å
134	H	84.7	Confident	75.4	Confident	22 Å²	22	79.6 Å²	79.6	10%	0.102	44%	0.44	C	S	.	.	H	α-helix	trans	-63.6	-38.2	175.3	167.6	64.9	0	0	0	112.7	C118 C121 F125 D130 L131 N132 K136 T137 H138	C118-H134 WeakPolarHBondContact CB-NE2 3.44Å; C118-H134 PolarHBondContact SG-NE2 2.95Å; C121-H134 PolarHBondContact SG-CE1 3.19Å; C121-H134 PolarHBondContact SG-NE2 3.3Å; F125-H134 HydrophobicContact CE1-CB 3.9Å; F125-H134 HydrophobicContact CE2-CB 3.92Å; F125-H134 AromaticContact CE2-CD2 3.37Å; F125-H134 WeakPolarHBondContact CE2-CD2 3.34Å; F125-H134 AromaticContact CE2-CG 3.69Å; F125-H134 HydrophobicContact CZ-CB 3.38Å; F125-H134 AromaticContact CZ-CD2 3.43Å; F125-H134 VanDerWaalsContact CZ-CD2 3.43Å; F125-H134 WeakPolarHBondContact CZ-CD2 3.23Å; F125-H134 AromaticContact CZ-CG 3.25Å; F125-H134 AromaticContact CZ-ND1 3.88Å; D130-H134 VanDerWaalsContact O-CB 3.31Å; D130-H134 WeakPolarHBondContact O-CB 3.4Å; D130-H134 PolarHBondContact O-N 3.21Å; L131-H134 CarbonylContact O-C 3.6Å; L131-H134 WeakPolarHBondContact O-CA 3.37Å; L131-H134 WeakPolarHBondContact O-CB 3.28Å; L131-H134 PolarHBondContact O-N 3.07Å; L131-H134 VanDerWaalsContact O-N 3.14Å; N132-H134 VanDerWaalsContact C-N 3.33Å; H134-K136 PolarHBondContact O-N 3.17Å; H134-K136 VanDerWaalsContact O-N 3.13Å; H134-T137 PolarHBondContact ND1-OG1 2.94Å; H134-T137 WeakPolarHBondContact O-CB 3.46Å; H134-T137 PolarHBondContact O-N 2.91Å; H134-T137 PolarHBondContact O-OG1 2.99Å; H134-H138 AromaticContact CD2-NE2 3.85Å; H134-H138 AromaticContact CE1-CE1 3.9Å; H134-H138 AromaticContact CE1-NE2 3.21Å; H134-H138 PolarHBondContact CE1-NE2 3.13Å; H134-H138 AromaticContact NE2-CD2 3.73Å; H134-H138 AromaticContact NE2-CE1 3.93Å; H134-H138 AromaticContact NE2-NE2 2.93Å; H134-H138 PolarHBondContact NE2-NE2 3.23Å
135	L	82.2	Confident	73.4	Confident	62 Å²	62	80.9 Å²	80.9	33%	0.325	44%	0.444	S	S	.	.	H	α-helix	trans	-59.9	-27.4	177.2	-72.1	174.2	0	0	0	112.5	L131 N132 T137 H138	L131-L135 HydrophobicContact CD1-CD1 4.37Å; L131-L135 HydrophobicContact CD1-CD2 4.31Å; L131-L135 HydrophobicContact CD1-CG 4.05Å; L131-L135 HydrophobicContact CG-CD1 4.21Å; L131-L135 HydrophobicContact CG-CG 4.33Å; L131-L135 WeakPolarHBondContact O-CG 3.27Å; L131-L135 PolarHBondContact O-N 3.39Å; N132-L135 PolarHBondContact O-N 3.36Å; L135-T137 PolarHBondContact O-N 3.03Å; L135-H138 PolarHBondContact O-N 3.23Å
136	K	86.6	Confident	71.6	Confident	170 Å²	170	81.2 Å²	81.2	74%	0.739	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-65	-25.5	172.9	-58.8	178.9	-179.7	-176.5	0	112.7	N132 R133 H134 H138 G139	N132-K136 PolarHBondContact O-N 3.28Å; R133-K136 WeakPolarHBondContact O-CB 3.35Å; R133-K136 PolarHBondContact O-N 2.95Å; H134-K136 PolarHBondContact O-N 3.17Å; H134-K136 VanDerWaalsContact O-N 3.13Å; K136-H138 VanDerWaalsContact C-N 3.27Å; K136-H138 PolarHBondContact O-N 3.11Å; K136-G139 PolarHBondContact O-N 3.45Å
137	T	83.7	Confident	69.6	Low	103 Å²	103	87.3 Å²	87.3	63%	0.632	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-74.5	-17.9	177.2	75.1	0	0	0	0	112.7	H134 L135 G139	H134-T137 PolarHBondContact ND1-OG1 2.94Å; H134-T137 WeakPolarHBondContact O-CB 3.46Å; H134-T137 PolarHBondContact O-N 2.91Å; H134-T137 PolarHBondContact O-OG1 2.99Å; L135-T137 PolarHBondContact O-N 3.03Å; T137-G139 PolarHBondContact O-N 3.13Å
138	H	81.9	Confident	68	Low	56 Å²	56	89.5 Å²	89.5	26%	0.259	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-81.2	1.5	173.2	-67.1	-60.4	0	0	0	113	C118 V120 H134 L135 K136 T140	C118-H138 PolarHBondContact SG-NE2 3.26Å; V120-H138 HydrophobicContact CG1-CB 4.47Å; V120-H138 WeakPolarHBondContact CG1-ND1 3.48Å; H134-H138 AromaticContact CD2-NE2 3.85Å; H134-H138 AromaticContact CE1-CE1 3.9Å; H134-H138 AromaticContact CE1-NE2 3.21Å; H134-H138 PolarHBondContact CE1-NE2 3.13Å; H134-H138 AromaticContact NE2-CD2 3.73Å; H134-H138 AromaticContact NE2-CE1 3.93Å; H134-H138 AromaticContact NE2-NE2 2.93Å; H134-H138 PolarHBondContact NE2-NE2 3.23Å; L135-H138 PolarHBondContact O-N 3.23Å; K136-H138 VanDerWaalsContact C-N 3.27Å; K136-H138 PolarHBondContact O-N 3.11Å; H138-T140 PolarHBondContact O-N 3.28Å; H138-T140 VanDerWaalsContact O-N 3.09Å
139	G	66.9	Low	66.2	Low	69 Å²	69	84.8 Å²	84.8	71%	0.711	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-6.1	173.8	0	0	0	0	0	116	K136 T137	K136-G139 PolarHBondContact O-N 3.45Å; T137-G139 PolarHBondContact O-N 3.13Å
140	T	53	Low	64.7	Low	108 Å²	108	87.8 Å²	87.8	66%	0.663	49%	0.491	S	S	*	.			trans	-120	99	-173.5	61.1	0	0	0	0	113.6	H138	H138-T140 PolarHBondContact O-N 3.28Å; H138-T140 VanDerWaalsContact O-N 3.09Å
141	S	50	Low	62.9	Low	91 Å²	91	89.8 Å²	89.8	64%	0.636	51%	0.51	S	S	*	.			trans	31.5	113.8	141.6	-123.8	0	0	0	0	120.4
142	K	44.2	Very low	61.1	Low	185 Å²	185	95.5 Å²	95.5	80%	0.804	53%	0.53	S	S	*	.			trans	35.2	88.8	137.4	-64.8	177.4	179.3	169.1	0	117.8	V144	K142-V144 VanDerWaalsContact C-N 3.27Å; K142-V144 PolarHBondContact O-N 2.94Å
143	G	50.8	Low	59.5	Low	77 Å²	77	97.5 Å²	97.5	79%	0.794	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn		63.4	-20.2	124.9	0	0	0	0	0	122.2
144	V	45.4	Very low	57.9	Low	99 Å²	99	97.8 Å²	97.8	60%	0.6	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-38.4	-174.5	-147.7	0	0	0	0	110.9	K142 G146 K147	K142-V144 VanDerWaalsContact C-N 3.27Å; K142-V144 PolarHBondContact O-N 2.94Å; V144-G146 PolarHBondContact O-N 3.1Å; V144-K147 WeakPolarHBondContact O-CB 3.41Å; V144-K147 PolarHBondContact O-N 3.31Å
145	D	44.3	Very low	56.1	Low	97 Å²	97	99.6 Å²	99.6	52%	0.519	56%	0.562	S	S	.	*	H	α-helix	trans	-67.4	-20.8	176.9	-59.1	-41.8	0	0	0	113.2	K147 I148 A149	D145-K147 PolarHBondContact O-N 3.04Å; D145-I148 WeakPolarHBondContact O-CB 3.48Å; D145-I148 PolarHBondContact O-N 3.19Å; D145-I148 VanDerWaalsContact O-N 3.12Å; D145-A149 PolarHBondContact O-N 2.82Å
146	G	47.2	Very low	54.6	Low	46 Å²	46	105.1 Å²	105.1	47%	0.474	58%	0.579	S	S	.	*	H	α-helix	trans	-63.2	-27.7	171.1	0	0	0	0	0	113.6	V144 R150	V144-G146 PolarHBondContact O-N 3.1Å; G146-R150 WeakPolarHBondContact O-CB 3.27Å; G146-R150 PolarHBondContact O-N 3.1Å; G146-R150 VanDerWaalsContact O-N 3.17Å
147	K	42.5	Very low	52.5	Low	157 Å²	157	107 Å²	107	68%	0.683	58%	0.581	S	S	*	*	H	α-helix	trans	-74.3	-37.8	171.5	-65.9	-179.3	-177.7	175.3	0	111.1	V144 D145 R150 A151	V144-K147 WeakPolarHBondContact O-CB 3.41Å; V144-K147 PolarHBondContact O-N 3.31Å; D145-K147 PolarHBondContact O-N 3.04Å; K147-R150 WeakPolarHBondContact O-CB 3.48Å; K147-R150 PolarHBondContact O-N 3.43Å; K147-A151 PolarHBondContact O-N 3.19Å
148	I	50.2	Low	50.3	Low	85 Å²	85	108.3 Å²	108.3	44%	0.436	58%	0.578	S	S	.	*	H	α-helix	trans	-67.1	-41.9	176.9	-57.8	177.2	0	0	0	110.5	D145 R150 A151 R152	D145-I148 WeakPolarHBondContact O-CB 3.48Å; D145-I148 PolarHBondContact O-N 3.19Å; D145-I148 VanDerWaalsContact O-N 3.12Å; I148-R150 VanDerWaalsContact C-N 3.32Å; I148-R150 PolarHBondContact O-N 2.86Å; I148-A151 PolarHBondContact O-N 3.44Å; I148-R152 WeakPolarHBondContact O-CB 3.44Å; I148-R152 PolarHBondContact O-N 3.16Å
149	A	49.1	Very low	48.6	Very low	38 Å²	38	112.5 Å²	112.5	31%	0.314	60%	0.603	S	S	.	*	H	α-helix	trans	-62.8	-38	173.3	0	0	0	0	0	112.1	D145 R152 H153	D145-A149 PolarHBondContact O-N 2.82Å; A149-R152 PolarHBondContact O-N 2.96Å; A149-H153 PolarHBondContact O-N 3.34Å
150	R	53.3	Low	47.4	Very low	171 Å²	171	112.6 Å²	112.6	65%	0.645	60%	0.604	S	S	*	*	H	α-helix	trans	-64.8	-44.7	174	-167.4	-175.3	-91.3	-147.4	-5.6	111.5	G146 K147 I148 R152 H153 I154	G146-R150 WeakPolarHBondContact O-CB 3.27Å; G146-R150 PolarHBondContact O-N 3.1Å; G146-R150 VanDerWaalsContact O-N 3.17Å; K147-R150 WeakPolarHBondContact O-CB 3.48Å; K147-R150 PolarHBondContact O-N 3.43Å; I148-R150 VanDerWaalsContact C-N 3.32Å; I148-R150 PolarHBondContact O-N 2.86Å; R150-R152 VanDerWaalsContact C-N 3.32Å; R150-R152 PolarHBondContact O-N 2.93Å; R150-H153 PolarHBondContact O-N 3.31Å; R150-I154 HydrophobicContact CG-CD1 4.1Å; R150-I154 VanDerWaalsContact O-CG1 3.27Å; R150-I154 WeakPolarHBondContact O-CG1 3.08Å; R150-I154 PolarHBondContact O-N 3.04Å
151	A	49.4	Very low	46.5	Very low	62 Å²	62	112.2 Å²	112.2	51%	0.512	60%	0.601	S	S	.	*	H	α-helix	trans	-60.2	-41.8	174.4	0	0	0	0	0	111.8	K147 I148 I154 A155	K147-A151 PolarHBondContact O-N 3.19Å; I148-A151 PolarHBondContact O-N 3.44Å; A151-I154 PolarHBondContact O-N 3.43Å; A151-A155 VanDerWaalsContact O-CB 3.31Å; A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 3.49Å
152	R	48.6	Very low	45.8	Very low	143 Å²	143	113.1 Å²	113.1	54%	0.54	60%	0.603	S	S	.	*	H	α-helix	trans	-69.1	-35.2	180	-152.7	-178.3	-67	126.4	-5.8	113.1	I148 A149 R150 R156	I148-R152 WeakPolarHBondContact O-CB 3.44Å; I148-R152 PolarHBondContact O-N 3.16Å; A149-R152 PolarHBondContact O-N 2.96Å; R150-R152 VanDerWaalsContact C-N 3.32Å; R150-R152 PolarHBondContact O-N 2.93Å; R152-R156 WeakPolarHBondContact O-CG 3.4Å; R152-R156 PolarHBondContact O-N 3.44Å; R152-R156 VanDerWaalsContact O-N 3.15Å
153	H	51.4	Low	45.5	Very low	124 Å²	124	110.3 Å²	110.3	57%	0.574	61%	0.605	S	S	*	*	H	α-helix	trans	-74.8	-39.3	175.9	-171	70.1	0	0	0	112.4	A149 R150 R156 R157	A149-H153 PolarHBondContact O-N 3.34Å; R150-H153 PolarHBondContact O-N 3.31Å; H153-R156 PolarHBondContact O-N 3.37Å; H153-R157 PolarHBondContact O-N 2.89Å
154	I	50.7	Low	44.7	Very low	89 Å²	89	110.8 Å²	110.8	46%	0.456	60%	0.602	S	S	.	*	H	α-helix	trans	-62	-46.8	172.7	-66	174.8	0	0	0	109.7	R150 A151 R156 R157 F158	R150-I154 HydrophobicContact CG-CD1 4.1Å; R150-I154 VanDerWaalsContact O-CG1 3.27Å; R150-I154 WeakPolarHBondContact O-CG1 3.08Å; R150-I154 PolarHBondContact O-N 3.04Å; A151-I154 PolarHBondContact O-N 3.43Å; I154-R156 VanDerWaalsContact C-N 3.33Å; I154-R156 PolarHBondContact O-N 3.02Å; I154-R157 PolarHBondContact O-N 3.19Å; I154-F158 HydrophobicContact CG2-CD2 3.87Å; I154-F158 HydrophobicContact CG2-CE2 3.9Å; I154-F158 VanDerWaalsContact O-CD2 3.3Å; I154-F158 WeakPolarHBondContact O-CD2 3.27Å; I154-F158 PolarHBondContact O-N 3.36Å
155	A	47.1	Very low	44	Very low	59 Å²	59	114 Å²	114	49%	0.488	61%	0.61	S	S	.	*	H	α-helix	trans	-57.9	-41.7	177.1	0	0	0	0	0	112.9	A151 R157 F158 N159	A151-A155 VanDerWaalsContact O-CB 3.31Å; A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 3.49Å; A155-R157 VanDerWaalsContact C-N 3.27Å; A155-R157 PolarHBondContact O-N 3.1Å; A155-F158 CarbonylContact O-C 3.25Å; A155-F158 PolarHBondContact O-N 3.34Å; A155-N159 PolarHBondContact O-N 2.91Å
156	R	50.2	Low	43.4	Very low	179 Å²	179	113.4 Å²	113.4	68%	0.675	62%	0.619	S	S	*	*	H	α-helix	trans	-65	-27.9	175.7	-75.5	176.9	-178.1	-178.2	-0.5	113.6	R152 H153 I154 F158	R152-R156 WeakPolarHBondContact O-CG 3.4Å; R152-R156 PolarHBondContact O-N 3.44Å; R152-R156 VanDerWaalsContact O-N 3.15Å; H153-R156 PolarHBondContact O-N 3.37Å; I154-R156 VanDerWaalsContact C-N 3.33Å; I154-R156 PolarHBondContact O-N 3.02Å; R156-F158 VanDerWaalsContact C-N 3.33Å
157	R	43	Very low	42.6	Very low	209 Å²	209	119.5 Å²	119.5	79%	0.789	64%	0.635	S	S	*	*	H	α-helix	trans	-78.4	-18.6	176.8	-166.3	166.2	-179.8	99.5	0.1	112.9	H153 I154 A155	H153-R157 PolarHBondContact O-N 2.89Å; I154-R157 PolarHBondContact O-N 3.19Å; A155-R157 VanDerWaalsContact C-N 3.27Å; A155-R157 PolarHBondContact O-N 3.1Å
158	F	37.6	Very low	42	Very low	131 Å²	131	121 Å²	121	58%	0.575	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	17.8	177.1	-71.3	-78.6	0	0	0	113.4	I154 A155 R156 G160 V161	I154-F158 HydrophobicContact CG2-CD2 3.87Å; I154-F158 HydrophobicContact CG2-CE2 3.9Å; I154-F158 VanDerWaalsContact O-CD2 3.3Å; I154-F158 WeakPolarHBondContact O-CD2 3.27Å; I154-F158 PolarHBondContact O-N 3.36Å; A155-F158 CarbonylContact O-C 3.25Å; A155-F158 PolarHBondContact O-N 3.34Å; R156-F158 VanDerWaalsContact C-N 3.33Å; F158-G160 PolarHBondContact O-N 3.13Å; F158-V161 PolarHBondContact O-N 2.73Å
159	N	45.2	Very low	41.1	Very low	144 Å²	144	123.7 Å²	123.7	77%	0.77	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	73.4	171.1	-100.1	-10.9	0	0	0	111.5	A155	A155-N159 PolarHBondContact O-N 2.91Å
160	G	43.1	Very low	40.3	Very low	71 Å²	71	131.3 Å²	131.3	73%	0.732	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	156	-9.1	175.7	0	0	0	0	0	115.9	F158	F158-G160 PolarHBondContact O-N 3.13Å
161	V	34.3	Very low	39.3	Very low	99 Å²	99	133 Å²	133	60%	0.6	70%	0.697	S	S	*	*			trans	-104.1	100.4	176	-167.2	0	0	0	0	108.2	F158	F158-V161 PolarHBondContact O-N 2.73Å
162	T	34.6	Very low	38.5	Very low	110 Å²	110	135.4 Å²	135.4	68%	0.675	71%	0.708	S	S	*	*			trans	-64.9	151.2	175.8	54.3	0	0	0	0	110.1	A164	T162-A164 PolarHBondContact O-N 3.5Å
163	C	37.3	Very low	37.7	Very low	127 Å²	127	135 Å²	135	86%	0.858	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-54.3	-9.8	-176.9	-106.2	0	0	0	0	115.4	Q165	C163-Q165 PolarHBondContact O-N 3.26Å
164	A	35.1	Very low	37.2	Very low	87 Å²	87	132.4 Å²	132.4	72%	0.719	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-73.7	-5.6	-174.1	0	0	0	0	0	114.8	T162	T162-A164 PolarHBondContact O-N 3.5Å
165	Q	30.3	Very low	36.8	Very low	165 Å²	165	134.7 Å²	134.7	77%	0.771	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-124.2	9.6	179.3	-67.4	-173.9	-19.6	0	0	114.5	C163 E167	C163-Q165 PolarHBondContact O-N 3.26Å; Q165-E167 PolarHBondContact O-N 3.46Å; Q165-E167 VanDerWaalsContact O-N 3.07Å
166	A	31.6	Very low	36.4	Very low	86 Å²	86	135.9 Å²	135.9	71%	0.711	73%	0.729	S	S	*	*			trans	-86.3	55.9	176.5	0	0	0	0	0	111.5	E168	A166-E168 PolarHBondContact O-N 3.27Å
167	E	30.7	Very low	35.5	Very low	173 Å²	173	131.8 Å²	131.8	81%	0.808	72%	0.724	S	S	*	*			trans	-78.8	106.1	167	-72.5	-177.2	164.9	0	0	109.2	Q165 T169	Q165-E167 PolarHBondContact O-N 3.46Å; Q165-E167 VanDerWaalsContact O-N 3.07Å; E167-T169 PolarHBondContact O-N 3.15Å
168	E	29.8	Very low	35.2	Very low	190 Å²	190	127.5 Å²	127.5	89%	0.888	72%	0.716	S	S	*	*			trans	34.5	65.5	153.6	-61.1	-172.4	163.5	0	0	118.7	A166 K170	A166-E168 PolarHBondContact O-N 3.27Å; E168-K170 PolarHBondContact O-N 3.04Å; E168-K170 VanDerWaalsContact O-N 3.11Å
169	T	31.4	Very low	35.5	Very low	141 Å²	141	127.1 Å²	127.1	87%	0.865	72%	0.719	S	S	*	*			trans	-80.8	94.1	158.2	51.3	0	0	0	0	110.2	E167 R171	E167-T169 PolarHBondContact O-N 3.15Å; T169-R171 PolarHBondContact O-N 3.37Å
170	K	32.8	Very low	34.9	Very low	198 Å²	198	125.3 Å²	125.3	86%	0.861	71%	0.713	S	S	*	*			trans	-43.3	119.8	168.8	-151.6	170.3	-172	172.7	0	110.4	E168 P172	E168-K170 PolarHBondContact O-N 3.04Å; E168-K170 VanDerWaalsContact O-N 3.11Å; K170-P172 WeakPolarHBondContact O-CD 3.47Å
171	R	30.9	Very low	34.3	Very low	206 Å²	206	126.3 Å²	126.3	78%	0.777	71%	0.709	S	S	*	*			trans	-33.5	110.8	175.6	179.7	179.2	177.4	163	2.3	112.8	T169 N173	T169-R171 PolarHBondContact O-N 3.37Å; R171-N173 PolarHBondContact NE-OD1 3.29Å; R171-N173 PolarHBondContact O-N 2.63Å
172	P	32.8	Very low	34.1	Very low	113 Å²	113	128 Å²	128	73%	0.734	71%	0.713	S	S	*	*			trans	-74.4	96.7	173.6	-10.3	25.6	0	0	0	109.4	K170 S174	K170-P172 WeakPolarHBondContact O-CD 3.47Å; P172-S174 PolarHBondContact O-N 2.97Å
173	N	32.6	Very low	33.9	Very low	134 Å²	134	127.5 Å²	127.5	72%	0.717	71%	0.714	S	S	*	*			trans	-77.5	87.8	163.3	-82.5	-9.1	0	0	0	108.4	R171	R171-N173 PolarHBondContact NE-OD1 3.29Å; R171-N173 PolarHBondContact O-N 2.63Å
174	S	39.4	Very low	33.4	Very low	70 Å²	70	126.3 Å²	126.3	49%	0.49	71%	0.707	S	S	.	*			trans	-176.4	132.3	147.9	-177.8	0	0	0	0	110.4	P172 S176	P172-S174 PolarHBondContact O-N 2.97Å; S174-S176 PolarHBondContact O-N 3.42Å; S174-S176 VanDerWaalsContact O-N 3.14Å; S174-S176 PolarHBondContact OG-N 3.44Å
175	I	42.4	Very low	33.1	Very low	136 Å²	136	127.4 Å²	127.4	70%	0.697	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-17.8	178.2	-67.9	169.1	0	0	0	111.7	T177 L178	I175-T177 VanDerWaalsContact C-N 3.29Å; I175-T177 PolarHBondContact O-N 2.89Å; I175-L178 PolarHBondContact O-N 3.22Å
176	S	38.5	Very low	33.2	Very low	84 Å²	84	125.6 Å²	125.6	59%	0.587	71%	0.713	S	S	*	*	H	α-helix	trans	-63.7	-31	-176.4	-147.7	0	0	0	0	113.6	S174	S174-S176 PolarHBondContact O-N 3.42Å; S174-S176 VanDerWaalsContact O-N 3.14Å; S174-S176 PolarHBondContact OG-N 3.44Å
177	T	33	Very low	33	Very low	93 Å²	93	128.3 Å²	128.3	57%	0.571	72%	0.72	S	S	*	*	H	α-helix	trans	-78.3	-19.3	-177.5	-32.4	0	0	0	0	113.1	I175 L179 T180	I175-T177 VanDerWaalsContact C-N 3.29Å; I175-T177 PolarHBondContact O-N 2.89Å; T177-L179 VanDerWaalsContact C-N 3.34Å; T177-T180 PolarHBondContact O-OG1 3.06Å
178	L	36.3	Very low	33	Very low	120 Å²	120	128.2 Å²	128.2	63%	0.628	73%	0.725	S	S	*	*	H	α-helix	trans	-78.7	-18.2	177.1	-73.9	167.6	0	0	0	112.7	I175 I182	I175-L178 PolarHBondContact O-N 3.22Å; L178-I182 WeakPolarHBondContact O-CD1 3.27Å
179	L	42.7	Very low	33.1	Very low	123 Å²	123	124 Å²	124	64%	0.644	72%	0.716	S	S	*	*	H	α-helix	trans	-81	-28	-177.4	-73	165.9	0	0	0	112.9	T177 S181	T177-L179 VanDerWaalsContact C-N 3.34Å; L179-S181 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 3.2Å
180	T	33.4	Very low	33.7	Very low	106 Å²	106	121.9 Å²	121.9	65%	0.65	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-14.6	-177.1	44	0	0	0	0	114.3	T177	T177-T180 PolarHBondContact O-OG1 3.06Å
181	S	29.9	Very low	34.1	Very low	92 Å²	92	116.2 Å²	116.2	64%	0.643	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-3.7	-179.2	31.5	0	0	0	0	114.2	L179	L179-S181 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 3.2Å
182	I	31.7	Very low	34.4	Very low	133 Å²	133	112.7 Å²	112.7	68%	0.682	69%	0.689	S	S	*	*	S	Bend	trans	-105.1	-2.6	-174.7	-49.6	174.8	0	0	0	111.9	L178 S184	L178-I182 WeakPolarHBondContact O-CD1 3.27Å; I182-S184 PolarHBondContact O-N 2.92Å; I182-S184 VanDerWaalsContact O-N 3.11Å
183	S	29.5	Very low	34.8	Very low	100 Å²	100	112.9 Å²	112.9	70%	0.699	68%	0.68	S	S	*	*	S	Bend	trans	-75.2	6.4	-178.2	53.8	0	0	0	0	115.7
184	S	26.4	Very low	35.3	Very low	102 Å²	102	110.2 Å²	110.2	71%	0.713	67%	0.668	S	S	*	*			trans	-130.2	62.7	-173.9	-50.9	0	0	0	0	112.4	I182	I182-S184 PolarHBondContact O-N 2.92Å; I182-S184 VanDerWaalsContact O-N 3.11Å
185	S	29	Very low	35.5	Very low	110 Å²	110	112.1 Å²	112.1	77%	0.769	67%	0.669	S	S	*	*	S	Bend	trans	-154.1	139	158.1	-77.4	0	0	0	0	112.5
186	P	31.7	Very low	35.3	Very low	128 Å²	128	112.4 Å²	112.4	83%	0.831	67%	0.668	S	S	*	*			trans	-79.9	144.9	-160.7	-9.1	28	0	0	0	113.2	L188	P186-L188 PolarHBondContact O-N 2.85Å
187	T	28.1	Very low	35.3	Very low	142 Å²	142	112.4 Å²	112.4	87%	0.871	66%	0.661	S	S	*	*			trans	-75	102.4	-176.8	44.8	0	0	0	0	111.9	S189	T187-S189 PolarHBondContact O-N 3.34Å
188	L	30.7	Very low	35.6	Very low	172 Å²	172	116 Å²	116	90%	0.901	66%	0.664	S	S	*	*			trans	-83.6	103.7	162.4	-87.5	156.4	0	0	0	109.7	P186	P186-L188 PolarHBondContact O-N 2.85Å
189	S	32.4	Very low	35.5	Very low	102 Å²	102	117.1 Å²	117.1	71%	0.713	67%	0.67	S	S	*	*			trans	-8.3	111.2	168.1	-176.2	0	0	0	0	117	T187 S191	T187-S189 PolarHBondContact O-N 3.34Å; S189-S191 PolarHBondContact O-N 2.87Å
190	S	43.3	Very low	35	Very low	96 Å²	96	114.5 Å²	114.5	67%	0.671	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	15.9	178.8	-85.4	0	0	0	0	115.5	V194	S190-V194 WeakPolarHBondContact O-CG2 3.46Å
191	S	41.3	Very low	35.1	Very low	78 Å²	78	115.9 Å²	115.9	55%	0.545	67%	0.67	S	S	.	*	H	α-helix	trans	-75.1	-37.8	-176	-163.2	0	0	0	0	113.5	S189	S189-S191 PolarHBondContact O-N 2.87Å
192	N	36.7	Very low	35.3	Very low	132 Å²	132	119.3 Å²	119.3	71%	0.706	68%	0.68	S	S	*	*	H	α-helix	trans	-80.1	-29.9	-171.3	-71.3	-13.7	0	0	0	113.8
193	H	41.9	Very low	35.4	Very low	117 Å²	117	118 Å²	118	54%	0.542	67%	0.673	S	S	.	*	H	α-helix	trans	-81.4	-24.2	-176.7	-163.2	-58.4	0	0	0	113	L197	H193-L197 WeakPolarHBondContact ND1-CD1 3.35Å; H193-L197 WeakPolarHBondContact O-CG 3.19Å; H193-L197 PolarHBondContact O-N 3.41Å
194	V	43.1	Very low	35.7	Very low	78 Å²	78	117.6 Å²	117.6	47%	0.473	67%	0.667	S	S	.	*	H	α-helix	trans	-73.7	-31.9	175.8	176.8	0	0	0	0	111.1	S190	S190-V194 WeakPolarHBondContact O-CG2 3.46Å
195	Q	43.6	Very low	36.1	Very low	111 Å²	111	119 Å²	119	52%	0.519	67%	0.671	S	S	.	*	H	α-helix	trans	-70.3	-43.1	177.4	-137.6	75.7	-8.9	0	0	111.7	L197 R198	Q195-L197 VanDerWaalsContact C-N 3.26Å; Q195-L197 PolarHBondContact O-N 3.4Å; Q195-R198 PolarHBondContact O-N 3.28Å
196	Q	37.9	Very low	36.2	Very low	141 Å²	141	122.1 Å²	122.1	66%	0.659	67%	0.673	S	S	*	*	H	α-helix	trans	-67.9	-20.4	178.1	-77.5	177.8	-17.7	0	0	114.2
197	L	38.3	Very low	36	Very low	85 Å²	85	122.8 Å²	122.8	45%	0.445	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.3	-12	177.6	-74.7	173.3	0	0	0	113.9	H193 Q195 D199	H193-L197 WeakPolarHBondContact ND1-CD1 3.35Å; H193-L197 WeakPolarHBondContact O-CG 3.19Å; H193-L197 PolarHBondContact O-N 3.41Å; Q195-L197 VanDerWaalsContact C-N 3.26Å; Q195-L197 PolarHBondContact O-N 3.4Å; L197-D199 PolarHBondContact O-N 3.15Å
198	R	40.3	Very low	36.3	Very low	169 Å²	169	121.2 Å²	121.2	64%	0.638	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-25.3	170.1	-71.2	-174.8	-171.2	161.2	4.3	111.9	Q195	Q195-R198 PolarHBondContact O-N 3.28Å
199	D	34.2	Very low	36.3	Very low	142 Å²	142	120.2 Å²	120.2	76%	0.759	65%	0.652	S	S	*	*	S	Bend	trans	-92.6	-1.5	-172.1	-60.9	-25.6	0	0	0	114.1	L197	L197-D199 PolarHBondContact O-N 3.15Å
200	A	32.2	Very low	36.4	Very low	68 Å²	68	121.1 Å²	121.1	56%	0.562	65%	0.648	S	S	*	*			trans	-127.5	49.7	-176.4	0	0	0	0	0	113.4	L202	A200-L202 PolarHBondContact O-N 3.29Å
201	N	35.8	Very low	35.9	Very low	136 Å²	136	124.7 Å²	124.7	73%	0.727	66%	0.656	S	S	*	*			trans	-84.4	62.8	165.3	-81.3	-52.5	0	0	0	111.3
202	L	33.5	Very low	35.7	Very low	164 Å²	164	128 Å²	128	86%	0.859	67%	0.666	S	S	*	*			trans	-93.4	85.7	158	-92.2	82.8	0	0	0	108.5	A200	A200-L202 PolarHBondContact O-N 3.29Å
203	M	34.4	Very low	35.6	Very low	106 Å²	106	126 Å²	126	52%	0.522	66%	0.661	S	S	.	*			trans	-92.5	120.3	163.1	-81.5	-94.1	158	0	0	107.9	R133 V205	R133-M203 PolarHBondContact NH1-SD 2.88Å; M203-V205 PolarHBondContact O-N 3.28Å; M203-V205 VanDerWaalsContact O-N 3.13Å
204	P	34.8	Very low	35.4	Very low	90 Å²	90	126.4 Å²	126.4	58%	0.584	67%	0.674	S	S	*	*			trans	-67.2	114.3	172.1	25.2	-30.4	0	0	0	108.8	H206	P204-H206 PolarHBondContact O-N 2.92Å
205	V	34	Very low	35.3	Very low	131 Å²	131	130 Å²	130	79%	0.794	70%	0.696	S	S	*	*			trans	-68.7	109.2	172.2	-177	0	0	0	0	107	M203 L207	M203-V205 PolarHBondContact O-N 3.28Å; M203-V205 VanDerWaalsContact O-N 3.13Å; V205-L207 PolarHBondContact O-N 3.15Å; V205-L207 VanDerWaalsContact O-N 3.11Å
206	H	31.7	Very low	35.4	Very low	177 Å²	177	127.9 Å²	127.9	82%	0.819	70%	0.703	S	S	*	*			trans	-62.6	111.2	164.7	-89.9	-79.9	0	0	0	107.7	P204 P208	P204-H206 PolarHBondContact O-N 2.92Å; H206-P208 WeakPolarHBondContact O-CD 3.49Å
207	L	27.6	Very low	35.6	Very low	142 Å²	142	130.3 Å²	130.3	74%	0.743	71%	0.712	S	S	*	*			trans	-68.1	108.4	174	-162.8	73.4	0	0	0	108.1	V205 Q209	V205-L207 PolarHBondContact O-N 3.15Å; V205-L207 VanDerWaalsContact O-N 3.11Å; L207-Q209 PolarHBondContact O-N 3.36Å
208	P	33.8	Very low	35.9	Very low	108 Å²	108	132.3 Å²	132.3	70%	0.701	73%	0.733	S	S	*	*			trans	-68.9	131.1	171.5	-6.9	25.5	0	0	0	106.8	H206 L210	H206-P208 WeakPolarHBondContact O-CD 3.49Å; P208-L210 PolarHBondContact O-N 3.08Å
209	Q	31.1	Very low	36.5	Very low	151 Å²	151	127.3 Å²	127.3	71%	0.706	72%	0.724	S	S	*	*			trans	-46.1	122.9	177.5	-69.6	174.4	-40.6	0	0	110.2	N29 L207 M211	N29-Q209 PolarHBondContact ND2-OE1 3.28Å; L207-Q209 PolarHBondContact O-N 3.36Å; Q209-M211 PolarHBondContact O-N 3.18Å
210	L	35	Very low	37.8	Very low	121 Å²	121	126.9 Å²	126.9	63%	0.634	72%	0.72	S	S	*	*			trans	-57.2	109.5	177.2	-91.2	101.7	0	0	0	109.4	P208 I212	P208-L210 PolarHBondContact O-N 3.08Å; L210-I212 PolarHBondContact O-N 3.21Å
211	M	33.6	Very low	39	Very low	172 Å²	172	130.9 Å²	130.9	85%	0.847	73%	0.725	S	S	*	*			trans	-76.1	106.9	153.1	-77.5	-76.2	136.5	0	0	106.3	Q209 P213	Q209-M211 PolarHBondContact O-N 3.18Å; M211-P213 VanDerWaalsContact O-CD 3.26Å; M211-P213 WeakPolarHBondContact O-CD 3.48Å
212	I	35.8	Very low	40.7	Very low	147 Å²	147	126.7 Å²	126.7	75%	0.754	71%	0.705	S	S	*	*			trans	-74.7	109.6	172.7	-58.2	165.8	0	0	0	106.2	L210	L210-I212 PolarHBondContact O-N 3.21Å
213	P	34.8	Very low	42.6	Very low	91 Å²	91	121.2 Å²	121.2	59%	0.591	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-74.6	147.6	173.6	23.8	-15	0	0	0	109.5	M211 V215	M211-P213 VanDerWaalsContact O-CD 3.26Å; M211-P213 WeakPolarHBondContact O-CD 3.48Å; P213-V215 PolarHBondContact O-N 3.07Å
214	P	38.9	Very low	44.7	Very low	125 Å²	125	122.1 Å²	122.1	81%	0.812	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-62.9	133.9	-176.9	23.9	-31	0	0	0	111.2	G216	P214-G216 PolarHBondContact O-N 3.28Å
215	V	39.1	Very low	46.7	Very low	154 Å²	154	123.1 Å²	123.1	93%	0.933	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.5	123.9	173.3	-115.7	0	0	0	0	110.2	P213	P213-V215 PolarHBondContact O-N 3.07Å
216	G	46	Very low	48.8	Very low	66 Å²	66	122.9 Å²	122.9	68%	0.68	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	153.9	-18.1	163.3	0	0	0	0	0	118.7	P214	P214-G216 PolarHBondContact O-N 3.28Å
217	F	42.7	Very low	51.3	Low	191 Å²	191	119.7 Å²	119.7	84%	0.838	66%	0.655	S	S	*	*			trans	-124.3	114.8	178.3	-74.4	-88	0	0	0	110.7	C219	F217-C219 PolarHBondContact O-N 3.29Å
218	S	44.6	Very low	53.9	Low	127 Å²	127	117.7 Å²	117.7	89%	0.888	64%	0.643	S	S	*	*			trans	-64.6	71.9	170.3	56.8	0	0	0	0	109.9
219	C	52.6	Low	56.3	Low	65 Å²	65	116.1 Å²	116.1	44%	0.439	63%	0.628	S	S	.	*			trans	-75	133.7	178.7	-177.6	0	0	0	0	108.8	F217 F221 C222 A223	F217-C219 PolarHBondContact O-N 3.29Å; C219-F221 PolarHBondContact O-N 3.38Å; C219-F221 WeakPolarHBondContact SG-CB 3.39Å; C219-F221 PolarHBondContact SG-N 2.99Å; C219-C222 WeakPolarHBondContact O-CA 3.43Å; C219-C222 VanDerWaalsContact O-CB 3.3Å; C219-C222 WeakPolarHBondContact O-CB 3.45Å; C219-C222 PolarHBondContact O-N 3.45Å; C219-A223 PolarHBondContact O-N 2.81Å
220	I	62.7	Low	59	Low	133 Å²	133	112.6 Å²	112.6	68%	0.682	61%	0.614	S	S	*	*	H	α-helix	trans	-49.5	-31.2	172.8	-66.5	166.7	0	0	0	111.1	A223 H224	I220-A223 PolarHBondContact O-N 3.38Å; I220-H224 PolarHBondContact O-N 2.85Å
221	F	56.7	Low	61.4	Low	152 Å²	152	110.6 Å²	110.6	67%	0.667	60%	0.604	S	S	*	*	H	α-helix	trans	-65.4	-38.1	174.5	-159.6	-93.9	0	0	0	113.4	C219 Y225	C219-F221 PolarHBondContact O-N 3.38Å; C219-F221 WeakPolarHBondContact SG-CB 3.39Å; C219-F221 PolarHBondContact SG-N 2.99Å; F221-Y225 WeakPolarHBondContact O-CB 3.4Å; F221-Y225 PolarHBondContact O-N 2.97Å
222	C	70.5	Confident	63.8	Low	47 Å²	47	105 Å²	105	32%	0.318	58%	0.581	S	S	.	*	H	α-helix	trans	-65.7	-39.8	172.4	-66.4	0	0	0	0	111.1	C219 Y225 Q226	C219-C222 WeakPolarHBondContact O-CA 3.43Å; C219-C222 VanDerWaalsContact O-CB 3.3Å; C219-C222 WeakPolarHBondContact O-CB 3.45Å; C219-C222 PolarHBondContact O-N 3.45Å; C222-Y225 PolarHBondContact O-N 3.05Å; C222-Q226 WeakPolarHBondContact O-CB 3.49Å; C222-Q226 VanDerWaalsContact O-CG 3.29Å; C222-Q226 WeakPolarHBondContact O-CG 3.31Å; C222-Q226 PolarHBondContact O-N 3.46Å
223	A	73.3	Confident	66.3	Low	50 Å²	50	104.9 Å²	104.9	41%	0.413	57%	0.571	S	S	.	*	H	α-helix	trans	-63.9	-45.6	176.8	0	0	0	0	0	111.9	C219 I220 Y225 Q226 Q227	C219-A223 PolarHBondContact O-N 2.81Å; I220-A223 PolarHBondContact O-N 3.38Å; A223-Y225 PolarHBondContact O-N 3.39Å; A223-Q226 PolarHBondContact O-N 3.29Å; A223-Q227 WeakPolarHBondContact O-CB 3.49Å; A223-Q227 PolarHBondContact O-N 3.21Å
224	H	79	Confident	69	Low	124 Å²	124	106.3 Å²	106.3	57%	0.574	57%	0.568	S	S	*	*	H	α-helix	trans	-62.6	-40.8	174.3	-89.8	-130	0	0	0	112.3	I220 M228	I220-H224 PolarHBondContact O-N 2.85Å; H224-M228 WeakPolarHBondContact O-CB 3.34Å; H224-M228 PolarHBondContact O-N 3.47Å
225	Y	76.5	Confident	71.5	Confident	111 Å²	111	108.2 Å²	108.2	44%	0.435	56%	0.559	S	S	.	*	H	α-helix	trans	-64.9	-45.2	176.5	-177.7	-99.6	0	0	0	111.6	F221 C222 A223 M228 M229	F221-Y225 WeakPolarHBondContact O-CB 3.4Å; F221-Y225 PolarHBondContact O-N 2.97Å; C222-Y225 PolarHBondContact O-N 3.05Å; A223-Y225 PolarHBondContact O-N 3.39Å; Y225-M228 HydrophobicContact CD2-CE 3.81Å; Y225-M228 HydrophobicContact CE2-CE 3.91Å; Y225-M228 WeakPolarHBondContact O-CB 3.44Å; Y225-M228 PolarHBondContact O-N 2.95Å; Y225-M229 HydrophobicContact CD1-CG 4.12Å; Y225-M229 HydrophobicContact CE1-CG 3.75Å; Y225-M229 HydrophobicContact CE1-SD 4.42Å; Y225-M229 HydrophobicContact CE2-CG 4.37Å; Y225-M229 HydrophobicContact CE2-SD 4.43Å; Y225-M229 VanDerWaalsContact O-CG 3.26Å; Y225-M229 WeakPolarHBondContact O-CG 3.43Å; Y225-M229 PolarHBondContact O-N 3.45Å
226	Q	79.5	Confident	73.9	Confident	126 Å²	126	105.4 Å²	105.4	59%	0.589	54%	0.537	S	S	*	.	H	α-helix	trans	-60.1	-47.8	174.9	-76.6	176.4	-23.5	0	0	111.4	C222 A223 M228 M229 D230	C222-Q226 WeakPolarHBondContact O-CB 3.49Å; C222-Q226 VanDerWaalsContact O-CG 3.29Å; C222-Q226 WeakPolarHBondContact O-CG 3.31Å; C222-Q226 PolarHBondContact O-N 3.46Å; A223-Q226 PolarHBondContact O-N 3.29Å; Q226-M228 VanDerWaalsContact C-N 3.3Å; Q226-M228 PolarHBondContact O-N 2.77Å; Q226-M229 CarbonylContact O-C 3.57Å; Q226-M229 WeakPolarHBondContact O-CB 3.25Å; Q226-M229 PolarHBondContact O-N 3.34Å; Q226-D230 VanDerWaalsContact O-CG 3.31Å; Q226-D230 PolarHBondContact O-N 2.85Å
227	Q	84.2	Confident	76.1	Confident	111 Å²	111	107.2 Å²	107.2	52%	0.519	53%	0.528	S	S	.	.	H	α-helix	trans	-59.2	-41.1	176	-171.4	-175.4	13.8	0	0	111.9	A223 D230 N231	A223-Q227 WeakPolarHBondContact O-CB 3.49Å; A223-Q227 PolarHBondContact O-N 3.21Å; Q227-D230 PolarHBondContact O-N 2.93Å; Q227-N231 WeakPolarHBondContact O-CB 3.34Å; Q227-N231 PolarHBondContact O-N 3.25Å; Q227-N231 PolarHBondContact O-ND2 3.13Å
228	M	82.5	Confident	78.6	Confident	99 Å²	99	104.1 Å²	104.1	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-62.8	-43.1	174.5	-175	-176.9	70.6	0	0	111.4	H224 Y225 Q226 N231 C232	H224-M228 WeakPolarHBondContact O-CB 3.34Å; H224-M228 PolarHBondContact O-N 3.47Å; Y225-M228 HydrophobicContact CD2-CE 3.81Å; Y225-M228 HydrophobicContact CE2-CE 3.91Å; Y225-M228 WeakPolarHBondContact O-CB 3.44Å; Y225-M228 PolarHBondContact O-N 2.95Å; Q226-M228 VanDerWaalsContact C-N 3.3Å; Q226-M228 PolarHBondContact O-N 2.77Å; M228-N231 PolarHBondContact O-N 3.27Å; M228-C232 PolarHBondContact O-N 3.21Å; M228-C232 PolarHBondContact O-SG 3.14Å; M228-C232 VanDerWaalsContact O-SG 3.36Å
229	M	83.9	Confident	80.9	Confident	76 Å²	76	103.7 Å²	103.7	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-65.6	-39	177.4	-68.9	-62.1	-74.4	0	0	112	Y225 Q226 C232 R233	Y225-M229 HydrophobicContact CD1-CG 4.12Å; Y225-M229 HydrophobicContact CE1-CG 3.75Å; Y225-M229 HydrophobicContact CE1-SD 4.42Å; Y225-M229 HydrophobicContact CE2-CG 4.37Å; Y225-M229 HydrophobicContact CE2-SD 4.43Å; Y225-M229 VanDerWaalsContact O-CG 3.26Å; Y225-M229 WeakPolarHBondContact O-CG 3.43Å; Y225-M229 PolarHBondContact O-N 3.45Å; Q226-M229 CarbonylContact O-C 3.57Å; Q226-M229 WeakPolarHBondContact O-CB 3.25Å; Q226-M229 PolarHBondContact O-N 3.34Å; M229-C232 WeakPolarHBondContact O-CB 3.43Å; M229-C232 PolarHBondContact O-N 3.37Å; M229-R233 WeakPolarHBondContact O-CB 3.4Å; M229-R233 PolarHBondContact O-N 2.77Å
230	D	86.8	Confident	82.9	Confident	77 Å²	77	105.1 Å²	105.1	41%	0.412	50%	0.504	S	S	.	.	H	α-helix	trans	-67.9	-39.5	175.7	-67.9	-25	0	0	0	111.8	Q226 Q227 C232 R233 K234	Q226-D230 VanDerWaalsContact O-CG 3.31Å; Q226-D230 PolarHBondContact O-N 2.85Å; Q227-D230 PolarHBondContact O-N 2.93Å; D230-C232 VanDerWaalsContact C-N 3.32Å; D230-C232 PolarHBondContact O-N 3.48Å; D230-R233 PolarHBondContact O-N 2.77Å; D230-K234 WeakPolarHBondContact O-CG 3.48Å; D230-K234 PolarHBondContact O-N 3.34Å
231	N	86.6	Confident	84.4	Confident	79 Å²	79	103.7 Å²	103.7	42%	0.422	49%	0.494	S	S	.	.	H	α-helix	trans	-63.3	-39.1	172.3	-73.4	-20.8	0	0	0	111.7	Q227 M228 R235	Q227-N231 WeakPolarHBondContact O-CB 3.34Å; Q227-N231 PolarHBondContact O-N 3.25Å; Q227-N231 PolarHBondContact O-ND2 3.13Å; M228-N231 PolarHBondContact O-N 3.27Å; N231-R235 WeakPolarHBondContact O-CB 3.5Å; N231-R235 VanDerWaalsContact O-CG 3.31Å; N231-R235 WeakPolarHBondContact O-CG 3.49Å; N231-R235 PolarHBondContact O-N 3.15Å; N231-R235 VanDerWaalsContact O-N 3.11Å
232	C	82.6	Confident	86.2	Confident	55 Å²	55	101.2 Å²	101.2	37%	0.372	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-44.5	172.8	-76.3	0	0	0	0	111.5	M228 M229 D230 R235 I236	M228-C232 PolarHBondContact O-N 3.21Å; M228-C232 PolarHBondContact O-SG 3.14Å; M228-C232 VanDerWaalsContact O-SG 3.36Å; M229-C232 WeakPolarHBondContact O-CB 3.43Å; M229-C232 PolarHBondContact O-N 3.37Å; D230-C232 VanDerWaalsContact C-N 3.32Å; D230-C232 PolarHBondContact O-N 3.48Å; C232-R235 PolarHBondContact O-N 3.34Å; C232-I236 WeakPolarHBondContact O-CG1 3.37Å; C232-I236 PolarHBondContact O-N 3.21Å
233	R	88.4	Confident	87.4	Confident	143 Å²	143	103.8 Å²	103.8	54%	0.54	50%	0.497	S	S	.	.	H	α-helix	trans	-59.9	-49.6	177.6	-168.3	-171.5	-52.4	-80.3	-1.4	111.8	M229 D230 R235 I236 E237	M229-R233 WeakPolarHBondContact O-CB 3.4Å; M229-R233 PolarHBondContact O-N 2.77Å; D230-R233 PolarHBondContact O-N 2.77Å; R233-R235 VanDerWaalsContact C-N 3.28Å; R233-R235 PolarHBondContact O-N 2.76Å; R233-I236 WeakPolarHBondContact O-CB 3.34Å; R233-I236 PolarHBondContact O-N 3.44Å; R233-E237 WeakPolarHBondContact O-CG 3.41Å; R233-E237 PolarHBondContact O-N 3.28Å
234	K	92.1	Very high	88.4	Confident	121 Å²	121	107.4 Å²	107.4	53%	0.526	50%	0.5	S	S	.	.	H	α-helix	trans	-57.8	-39.9	176.2	-72.3	175.2	-178.4	178.5	0	112.4	D230 E237 Q238	D230-K234 WeakPolarHBondContact O-CG 3.48Å; D230-K234 PolarHBondContact O-N 3.34Å; K234-E237 PolarHBondContact O-N 2.97Å; K234-Q238 WeakPolarHBondContact O-CB 3.5Å; K234-Q238 VanDerWaalsContact O-CG 3.26Å; K234-Q238 WeakPolarHBondContact O-CG 3.42Å; K234-Q238 PolarHBondContact O-N 3.28Å
235	R	91.1	Very high	89.1	Confident	166 Å²	166	104.8 Å²	104.8	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-67.2	-36.7	176	-76.6	171.4	66.8	-174.1	1.3	112.3	N231 C232 R233 L239	N231-R235 WeakPolarHBondContact O-CB 3.5Å; N231-R235 VanDerWaalsContact O-CG 3.31Å; N231-R235 WeakPolarHBondContact O-CG 3.49Å; N231-R235 PolarHBondContact O-N 3.15Å; N231-R235 VanDerWaalsContact O-N 3.11Å; C232-R235 PolarHBondContact O-N 3.34Å; R233-R235 VanDerWaalsContact C-N 3.28Å; R233-R235 PolarHBondContact O-N 2.76Å; R235-L239 VanDerWaalsContact O-CG 3.29Å; R235-L239 WeakPolarHBondContact O-CG 3.43Å; R235-L239 PolarHBondContact O-N 3.14Å
236	I	89.7	Confident	90	Very high	94 Å²	94	105.5 Å²	105.5	48%	0.482	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-48.8	174.4	-68.9	164.8	0	0	0	109.6	C232 R233 Q238 L239 E240	C232-I236 WeakPolarHBondContact O-CG1 3.37Å; C232-I236 PolarHBondContact O-N 3.21Å; R233-I236 WeakPolarHBondContact O-CB 3.34Å; R233-I236 PolarHBondContact O-N 3.44Å; I236-Q238 VanDerWaalsContact C-N 3.31Å; I236-Q238 PolarHBondContact O-N 3.25Å; I236-L239 PolarHBondContact O-N 3.47Å; I236-L239 VanDerWaalsContact O-N 3.07Å; I236-E240 HydrophobicContact CG2-CG 4.4Å; I236-E240 WeakPolarHBondContact O-CG 3.44Å; I236-E240 PolarHBondContact O-N 2.99Å
237	E	92.5	Very high	90.7	Very high	104 Å²	104	104.9 Å²	104.9	49%	0.486	49%	0.493	S	S	.	.	H	α-helix	trans	-58.2	-41.4	177.2	-69.8	165.5	-176.4	0	0	112.4	R233 K234 E240 H241	R233-E237 WeakPolarHBondContact O-CG 3.41Å; R233-E237 PolarHBondContact O-N 3.28Å; K234-E237 PolarHBondContact O-N 2.97Å; E237-E240 PolarHBondContact O-N 3.11Å; E237-H241 PolarHBondContact O-N 3.45Å
238	Q	94.2	Very high	91.2	Very high	127 Å²	127	102.5 Å²	102.5	59%	0.593	49%	0.492	S	S	*	.	H	α-helix	trans	-61.5	-43.9	173.8	-76.4	173.4	-10.8	0	0	112.2	K234 I236 H241 L242	K234-Q238 WeakPolarHBondContact O-CB 3.5Å; K234-Q238 VanDerWaalsContact O-CG 3.26Å; K234-Q238 WeakPolarHBondContact O-CG 3.42Å; K234-Q238 PolarHBondContact O-N 3.28Å; I236-Q238 VanDerWaalsContact C-N 3.31Å; I236-Q238 PolarHBondContact O-N 3.25Å; Q238-H241 PolarHBondContact O-N 3.45Å; Q238-L242 WeakPolarHBondContact O-CG 3.33Å; Q238-L242 PolarHBondContact O-N 3.37Å
239	L	92.8	Very high	91.9	Very high	117 Å²	117	103.2 Å²	103.2	61%	0.613	49%	0.494	S	S	*	.	H	α-helix	trans	-66.7	-38.2	178.1	-73.7	171.2	0	0	0	111.9	R235 I236 L242 L243	R235-L239 VanDerWaalsContact O-CG 3.29Å; R235-L239 WeakPolarHBondContact O-CG 3.43Å; R235-L239 PolarHBondContact O-N 3.14Å; I236-L239 PolarHBondContact O-N 3.47Å; I236-L239 VanDerWaalsContact O-N 3.07Å; L239-L242 PolarHBondContact O-N 2.88Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 PolarHBondContact O-N 3.15Å
240	E	94.3	Very high	92.3	Very high	95 Å²	95	102.4 Å²	102.4	44%	0.444	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-39.5	174.6	-71.9	177.7	177.7	0	0	112	I236 E237 L243 R244	I236-E240 HydrophobicContact CG2-CG 4.4Å; I236-E240 WeakPolarHBondContact O-CG 3.44Å; I236-E240 PolarHBondContact O-N 2.99Å; E237-E240 PolarHBondContact O-N 3.11Å; E240-L243 PolarHBondContact O-N 2.85Å; E240-R244 WeakPolarHBondContact O-CG 3.43Å; E240-R244 PolarHBondContact O-N 3.27Å
241	H	95.3	Very high	92.7	Very high	103 Å²	103	102 Å²	102	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-63.1	-47.9	173.7	-170	-67.1	0	0	0	111.5	E237 Q238 L243 R244 D245	E237-H241 PolarHBondContact O-N 3.45Å; Q238-H241 PolarHBondContact O-N 3.45Å; H241-L243 VanDerWaalsContact C-N 3.26Å; H241-L243 PolarHBondContact O-N 3.09Å; H241-R244 PolarHBondContact O-N 3.42Å; H241-D245 IonicContact CE1-OD1 2.74Å; H241-D245 PolarHBondContact CE1-OD1 3Å; H241-D245 IonicContact CE1-OD2 3.45Å; H241-D245 PolarHBondContact CE1-OD2 3.41Å; H241-D245 IonicContact ND1-OD1 3.44Å; H241-D245 IonicContact ND1-OD2 2.72Å; H241-D245 PolarHBondContact ND1-OD2 3.2Å; H241-D245 PolarHBondContact O-N 3.13Å
242	L	94.9	Very high	93.1	Very high	100 Å²	100	104.8 Å²	104.8	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-59.9	-37.9	176.8	-70.9	172.3	0	0	0	111.8	Q238 L239 D245 K246	Q238-L242 WeakPolarHBondContact O-CG 3.33Å; Q238-L242 PolarHBondContact O-N 3.37Å; L239-L242 PolarHBondContact O-N 2.88Å; L242-D245 PolarHBondContact O-N 3.3Å; L242-K246 VanDerWaalsContact O-CG 3.27Å; L242-K246 WeakPolarHBondContact O-CG 3.42Å; L242-K246 PolarHBondContact O-N 2.71Å
243	L	94.1	Very high	93.7	Very high	101 Å²	101	107.2 Å²	107.2	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-63.7	-47.9	176	-175.3	64.2	0	0	0	111.2	L239 E240 H241 D245 K246 E247	L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 PolarHBondContact O-N 3.15Å; E240-L243 PolarHBondContact O-N 2.85Å; H241-L243 VanDerWaalsContact C-N 3.26Å; H241-L243 PolarHBondContact O-N 3.09Å; L243-D245 VanDerWaalsContact C-N 3.3Å; L243-D245 PolarHBondContact O-N 3.46Å; L243-K246 PolarHBondContact O-N 3.45Å; L243-K246 VanDerWaalsContact O-N 3.1Å; L243-E247 WeakPolarHBondContact O-CG 3.46Å; L243-E247 PolarHBondContact O-N 3.3Å
244	R	95.5	Very high	94	Very high	127 Å²	127	103.1 Å²	103.1	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-58.1	-41	175.7	-74.3	-173.2	-68.8	-92.3	2	112.3	E240 H241 K246 E247 A248	E240-R244 WeakPolarHBondContact O-CG 3.43Å; E240-R244 PolarHBondContact O-N 3.27Å; H241-R244 PolarHBondContact O-N 3.42Å; R244-K246 VanDerWaalsContact C-N 3.34Å; R244-K246 PolarHBondContact O-N 3.09Å; R244-E247 PolarHBondContact O-N 2.93Å; R244-A248 WeakPolarHBondContact O-CB 3.47Å; R244-A248 PolarHBondContact O-N 3.43Å
245	D	94.4	Very high	94.2	Very high	69 Å²	69	105.3 Å²	105.3	37%	0.369	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-39.7	176.2	-67.1	-30.7	0	0	0	111.8	H241 L242 L243 A248 Q249	H241-D245 IonicContact CE1-OD1 2.74Å; H241-D245 PolarHBondContact CE1-OD1 3Å; H241-D245 IonicContact CE1-OD2 3.45Å; H241-D245 PolarHBondContact CE1-OD2 3.41Å; H241-D245 IonicContact ND1-OD1 3.44Å; H241-D245 IonicContact ND1-OD2 2.72Å; H241-D245 PolarHBondContact ND1-OD2 3.2Å; H241-D245 PolarHBondContact O-N 3.13Å; L242-D245 PolarHBondContact O-N 3.3Å; L243-D245 VanDerWaalsContact C-N 3.3Å; L243-D245 PolarHBondContact O-N 3.46Å; D245-A248 PolarHBondContact O-N 3.23Å; D245-Q249 WeakPolarHBondContact O-CB 3.49Å; D245-Q249 VanDerWaalsContact O-CG 3.27Å; D245-Q249 WeakPolarHBondContact O-CG 3.09Å; D245-Q249 PolarHBondContact O-N 2.98Å
246	K	94	Very high	94.4	Very high	126 Å²	126	104 Å²	104	55%	0.548	51%	0.512	S	S	.	.	H	α-helix	trans	-68.1	-39	176.5	-69.2	-62	174.1	-169.7	0	112.3	L242 L243 R244 Q249 A250	L242-K246 VanDerWaalsContact O-CG 3.27Å; L242-K246 WeakPolarHBondContact O-CG 3.42Å; L242-K246 PolarHBondContact O-N 2.71Å; L243-K246 PolarHBondContact O-N 3.45Å; L243-K246 VanDerWaalsContact O-N 3.1Å; R244-K246 VanDerWaalsContact C-N 3.34Å; R244-K246 PolarHBondContact O-N 3.09Å; K246-Q249 VanDerWaalsContact NZ-OE1 3.15Å; K246-Q249 PolarHBondContact O-N 3.2Å; K246-A250 WeakPolarHBondContact O-CB 3.36Å; K246-A250 PolarHBondContact O-N 3.37Å
247	E	95.7	Very high	94.7	Very high	113 Å²	113	104 Å²	104	53%	0.528	51%	0.512	S	S	.	.	H	α-helix	trans	-62.2	-45	172.7	-71.4	173.3	165.3	0	0	111.2	L243 R244 Q249 A250 D251	L243-E247 WeakPolarHBondContact O-CG 3.46Å; L243-E247 PolarHBondContact O-N 3.3Å; R244-E247 PolarHBondContact O-N 2.93Å; E247-Q249 VanDerWaalsContact C-N 3.34Å; E247-Q249 PolarHBondContact O-N 2.86Å; E247-A250 PolarHBondContact O-N 3.37Å; E247-D251 WeakPolarHBondContact O-CB 3.45Å; E247-D251 PolarHBondContact O-N 3.49Å
248	A	94.2	Very high	94.8	Very high	61 Å²	61	103.7 Å²	103.7	50%	0.504	51%	0.513	S	S	.	.	H	α-helix	trans	-63.5	-37.7	175.5	0	0	0	0	0	112.7	R244 D245 K252	R244-A248 WeakPolarHBondContact O-CB 3.47Å; R244-A248 PolarHBondContact O-N 3.43Å; D245-A248 PolarHBondContact O-N 3.23Å; A248-K252 WeakPolarHBondContact O-CB 3.14Å; A248-K252 PolarHBondContact O-N 3.37Å
249	Q	96.5	Very high	94.9	Very high	113 Å²	113	99.6 Å²	99.6	53%	0.528	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-43	173.2	-76.4	175.3	2.4	0	0	111.9	D245 K246 E247 K252 L253	D245-Q249 WeakPolarHBondContact O-CB 3.49Å; D245-Q249 VanDerWaalsContact O-CG 3.27Å; D245-Q249 WeakPolarHBondContact O-CG 3.09Å; D245-Q249 PolarHBondContact O-N 2.98Å; K246-Q249 VanDerWaalsContact NZ-OE1 3.15Å; K246-Q249 PolarHBondContact O-N 3.2Å; E247-Q249 VanDerWaalsContact C-N 3.34Å; E247-Q249 PolarHBondContact O-N 2.86Å; Q249-K252 PolarHBondContact O-N 3Å; Q249-L253 PolarHBondContact O-N 3.48Å
250	A	93.4	Very high	94.9	Very high	60 Å²	60	96.4 Å²	96.4	50%	0.496	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-42.5	177.2	0	0	0	0	0	111.7	K246 E247 L253 S254	K246-A250 WeakPolarHBondContact O-CB 3.36Å; K246-A250 PolarHBondContact O-N 3.37Å; E247-A250 PolarHBondContact O-N 3.37Å; A250-L253 PolarHBondContact O-N 2.89Å; A250-S254 PolarHBondContact O-N 3.22Å
251	D	94.8	Very high	95	Very high	69 Å²	69	99.4 Å²	99.4	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-65.8	-38.3	176.2	-176.7	59.6	0	0	0	112.4	E247 L253 S254 R255	E247-D251 WeakPolarHBondContact O-CB 3.45Å; E247-D251 PolarHBondContact O-N 3.49Å; D251-L253 VanDerWaalsContact C-N 3.29Å; D251-L253 PolarHBondContact O-N 2.99Å; D251-S254 WeakPolarHBondContact CA-OG 3.27Å; D251-S254 PolarHBondContact O-N 3.32Å; D251-S254 PolarHBondContact O-OG 3.17Å; D251-R255 WeakPolarHBondContact O-CG 3.44Å; D251-R255 PolarHBondContact O-N 3.45Å; D251-R255 IonicContact OD1-NE 2.84Å; D251-R255 IonicContact OD2-CZ 3.48Å; D251-R255 IonicContact OD2-NE 3.73Å; D251-R255 PolarHBondContact OD2-NE 2.93Å; D251-R255 IonicContact OD2-NH2 3.52Å; D251-R255 PolarHBondContact OD2-NH2 3.3Å
252	K	94.9	Very high	95.1	Very high	137 Å²	137	100 Å²	100	60%	0.596	51%	0.507	S	S	*	.	H	α-helix	trans	-62.6	-38.1	172.5	-172.3	173.6	-176.3	173.6	0	111.9	A248 Q249 K256	A248-K252 WeakPolarHBondContact O-CB 3.14Å; A248-K252 PolarHBondContact O-N 3.37Å; Q249-K252 PolarHBondContact O-N 3Å; K252-K256 WeakPolarHBondContact O-CG 3.47Å; K252-K256 PolarHBondContact O-N 3Å
253	L	95	Very high	95.1	Very high	105 Å²	105	100.5 Å²	100.5	55%	0.55	51%	0.51	S	S	.	.	H	α-helix	trans	-71	-41.9	177.2	-175.5	64.2	0	0	0	111.7	Q249 A250 D251 R255 K256 L257	Q249-L253 PolarHBondContact O-N 3.48Å; A250-L253 PolarHBondContact O-N 2.89Å; D251-L253 VanDerWaalsContact C-N 3.29Å; D251-L253 PolarHBondContact O-N 2.99Å; L253-R255 VanDerWaalsContact C-N 3.34Å; L253-R255 PolarHBondContact O-N 3.29Å; L253-K256 WeakPolarHBondContact O-CB 3.49Å; L253-K256 PolarHBondContact O-N 3.39Å; L253-L257 HydrophobicContact CG-CD1 4.35Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 2.83Å
254	S	95.6	Very high	95.2	Very high	57 Å²	57	100.3 Å²	100.3	40%	0.399	51%	0.509	S	S	.	.	H	α-helix	trans	-60.9	-42.7	177.6	69.6	0	0	0	0	111.3	A250 D251 K256 L257 L258	A250-S254 PolarHBondContact O-N 3.22Å; D251-S254 WeakPolarHBondContact CA-OG 3.27Å; D251-S254 PolarHBondContact O-N 3.32Å; D251-S254 PolarHBondContact O-OG 3.17Å; S254-K256 PolarHBondContact O-N 3.12Å; S254-L257 PolarHBondContact O-N 3.35Å; S254-L258 WeakPolarHBondContact O-CB 3.49Å; S254-L258 PolarHBondContact O-N 3.04Å
255	R	95.7	Very high	95.2	Very high	167 Å²	167	99.3 Å²	99.3	63%	0.63	51%	0.513	S	S	*	.	H	α-helix	trans	-62.4	-39.3	174.9	-68.3	179.3	-158.7	-178.1	1.7	112.9	D251 L253 L258 G259	D251-R255 WeakPolarHBondContact O-CG 3.44Å; D251-R255 PolarHBondContact O-N 3.45Å; D251-R255 IonicContact OD1-NE 2.84Å; D251-R255 IonicContact OD2-CZ 3.48Å; D251-R255 IonicContact OD2-NE 3.73Å; D251-R255 PolarHBondContact OD2-NE 2.93Å; D251-R255 IonicContact OD2-NH2 3.52Å; D251-R255 PolarHBondContact OD2-NH2 3.3Å; L253-R255 VanDerWaalsContact C-N 3.34Å; L253-R255 PolarHBondContact O-N 3.29Å; R255-L258 PolarHBondContact O-N 3.38Å; R255-G259 PolarHBondContact O-N 2.95Å
256	K	95.6	Very high	95.3	Very high	140 Å²	140	99.3 Å²	99.3	61%	0.609	52%	0.518	S	S	*	.	H	α-helix	trans	-64.3	-43.9	174.8	-75.7	-179.5	176.3	-170	0	111.8	K252 L253 S254 G259 A260	K252-K256 WeakPolarHBondContact O-CG 3.47Å; K252-K256 PolarHBondContact O-N 3Å; L253-K256 WeakPolarHBondContact O-CB 3.49Å; L253-K256 PolarHBondContact O-N 3.39Å; S254-K256 PolarHBondContact O-N 3.12Å; K256-G259 PolarHBondContact O-N 3.25Å; K256-A260 PolarHBondContact O-N 2.93Å
257	L	95.1	Very high	95.3	Very high	92 Å²	92	97.4 Å²	97.4	48%	0.482	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	-45.1	176	-73.5	171	0	0	0	110.8	L253 S254 G259 A260 Y261	L253-L257 HydrophobicContact CG-CD1 4.35Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 2.83Å; S254-L257 PolarHBondContact O-N 3.35Å; L257-G259 VanDerWaalsContact C-N 3.33Å; L257-G259 PolarHBondContact O-N 2.88Å; L257-A260 WeakPolarHBondContact O-CB 3.27Å; L257-A260 PolarHBondContact O-N 3.44Å; L257-A260 VanDerWaalsContact O-N 3.13Å; L257-Y261 WeakPolarHBondContact O-CD2 3.46Å; L257-Y261 PolarHBondContact O-N 3.11Å
258	L	95.1	Very high	95.3	Very high	99 Å²	99	96.8 Å²	96.8	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-58.8	-43.8	176.4	-174.8	62.5	0	0	0	111.9	S254 R255 A260 Y261 H262	S254-L258 WeakPolarHBondContact O-CB 3.49Å; S254-L258 PolarHBondContact O-N 3.04Å; R255-L258 PolarHBondContact O-N 3.38Å; L258-A260 PolarHBondContact O-N 3.2Å; L258-Y261 PolarHBondContact O-N 3.44Å; L258-H262 PolarHBondContact O-CD2 3.01Å; L258-H262 PolarHBondContact O-N 3.2Å
259	G	95.3	Very high	95.4	Very high	41 Å²	41	98.7 Å²	98.7	42%	0.423	51%	0.511	S	S	.	.	H	α-helix	trans	-61.2	-40.5	173.9	0	0	0	0	0	113.3	R255 K256 L257 H262 L263	R255-G259 PolarHBondContact O-N 2.95Å; K256-G259 PolarHBondContact O-N 3.25Å; L257-G259 VanDerWaalsContact C-N 3.33Å; L257-G259 PolarHBondContact O-N 2.88Å; G259-H262 PolarHBondContact O-N 3.5Å; G259-L263 PolarHBondContact O-N 2.91Å; G259-L263 VanDerWaalsContact O-N 3.09Å
260	A	94.2	Very high	95.3	Very high	50 Å²	50	96 Å²	96	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-65.5	-39	174.8	0	0	0	0	0	112.3	K256 L257 L258 L263 L264	K256-A260 PolarHBondContact O-N 2.93Å; L257-A260 WeakPolarHBondContact O-CB 3.27Å; L257-A260 PolarHBondContact O-N 3.44Å; L257-A260 VanDerWaalsContact O-N 3.13Å; L258-A260 PolarHBondContact O-N 3.2Å; A260-L263 PolarHBondContact O-N 3.18Å; A260-L264 WeakPolarHBondContact O-CG 3.43Å; A260-L264 PolarHBondContact O-N 3.07Å
261	Y	96.2	Very high	95.4	Very high	157 Å²	157	97 Å²	97	62%	0.616	51%	0.51	S	S	*	.	H	α-helix	trans	-62.3	-45.5	174	-83.1	-68.1	0	0	0	112	L257 L258 L263 L264 D265	L257-Y261 WeakPolarHBondContact O-CD2 3.46Å; L257-Y261 PolarHBondContact O-N 3.11Å; L258-Y261 PolarHBondContact O-N 3.44Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 3.15Å; Y261-L264 PolarHBondContact O-N 2.72Å; Y261-D265 WeakPolarHBondContact O-CB 3.28Å; Y261-D265 PolarHBondContact O-N 2.92Å
262	H	96.4	Very high	95.4	Very high	117 Å²	117	97.1 Å²	97.1	54%	0.542	52%	0.516	S	S	.	.	H	α-helix	trans	-61	-37	175.6	-74.5	-59.5	0	0	0	112.8	L258 G259 D265 S266	L258-H262 PolarHBondContact O-CD2 3.01Å; L258-H262 PolarHBondContact O-N 3.2Å; G259-H262 PolarHBondContact O-N 3.5Å; H262-D265 PolarHBondContact O-N 3.5Å; H262-S266 WeakPolarHBondContact O-CB 3.44Å; H262-S266 PolarHBondContact O-N 3.38Å
263	L	95.7	Very high	95.3	Very high	110 Å²	110	98.1 Å²	98.1	58%	0.576	52%	0.517	S	S	*	.	H	α-helix	trans	-65.2	-44.8	174.5	-178.6	63.9	0	0	0	111.5	G259 A260 Y261 D265 S266 I267	G259-L263 PolarHBondContact O-N 2.91Å; G259-L263 VanDerWaalsContact O-N 3.09Å; A260-L263 PolarHBondContact O-N 3.18Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 3.15Å; L263-D265 VanDerWaalsContact C-N 3.33Å; L263-D265 PolarHBondContact O-N 3.03Å; L263-S266 PolarHBondContact O-N 3.26Å; L263-I267 HydrophobicContact CD1-CD1 4.44Å; L263-I267 HydrophobicContact CG-CD1 4.09Å; L263-I267 VanDerWaalsContact O-CG1 3.27Å; L263-I267 WeakPolarHBondContact O-CG1 3.34Å; L263-I267 PolarHBondContact O-N 3.32Å
264	L	95.9	Very high	95.2	Very high	97 Å²	97	99.7 Å²	99.7	51%	0.508	52%	0.519	S	S	.	.	H	α-helix	trans	-60.9	-43.1	176	-73.8	171	0	0	0	111.7	A260 Y261 S266 I267 I268	A260-L264 WeakPolarHBondContact O-CG 3.43Å; A260-L264 PolarHBondContact O-N 3.07Å; Y261-L264 PolarHBondContact O-N 2.72Å; L264-S266 PolarHBondContact O-N 2.97Å; L264-I267 PolarHBondContact O-N 3.35Å; L264-I268 VanDerWaalsContact O-CG1 3.28Å; L264-I268 WeakPolarHBondContact O-CG1 3.31Å; L264-I268 PolarHBondContact O-N 3.42Å
265	D	96	Very high	95	Very high	105 Å²	105	101.8 Å²	101.8	56%	0.561	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-42.3	178.9	-154.7	40.9	0	0	0	111.3	Y261 H262 L263 I267 I268 E269	Y261-D265 WeakPolarHBondContact O-CB 3.28Å; Y261-D265 PolarHBondContact O-N 2.92Å; H262-D265 PolarHBondContact O-N 3.5Å; L263-D265 VanDerWaalsContact C-N 3.33Å; L263-D265 PolarHBondContact O-N 3.03Å; D265-I267 VanDerWaalsContact C-N 3.35Å; D265-I267 PolarHBondContact O-N 2.9Å; D265-I268 PolarHBondContact O-N 3.26Å; D265-E269 PolarHBondContact O-N 3.44Å
266	S	95.2	Very high	94.9	Very high	70 Å²	70	100.9 Å²	100.9	49%	0.49	52%	0.524	S	S	.	.	H	α-helix	trans	-62.9	-38	173.6	180	0	0	0	0	112.9	H262 L263 L264 A270	H262-S266 WeakPolarHBondContact O-CB 3.44Å; H262-S266 PolarHBondContact O-N 3.38Å; L263-S266 PolarHBondContact O-N 3.26Å; L264-S266 PolarHBondContact O-N 2.97Å; S266-A270 WeakPolarHBondContact O-CB 3.37Å; S266-A270 PolarHBondContact O-N 3.34Å
267	I	95.4	Very high	94.7	Very high	85 Å²	85	99.6 Å²	99.6	44%	0.436	52%	0.523	S	S	.	.	H	α-helix	trans	-66.1	-44.4	174.7	-68.5	164.3	0	0	0	110.3	L263 L264 D265 E269 A270 C271	L263-I267 HydrophobicContact CD1-CD1 4.44Å; L263-I267 HydrophobicContact CG-CD1 4.09Å; L263-I267 VanDerWaalsContact O-CG1 3.27Å; L263-I267 WeakPolarHBondContact O-CG1 3.34Å; L263-I267 PolarHBondContact O-N 3.32Å; L264-I267 PolarHBondContact O-N 3.35Å; D265-I267 VanDerWaalsContact C-N 3.35Å; D265-I267 PolarHBondContact O-N 2.9Å; I267-E269 VanDerWaalsContact C-N 3.34Å; I267-E269 PolarHBondContact O-N 3.23Å; I267-A270 PolarHBondContact O-N 3.39Å; I267-C271 WeakPolarHBondContact O-CB 3.46Å; I267-C271 PolarHBondContact O-N 3.18Å; I267-C271 PolarHBondContact O-SG 3.35Å; I267-C271 VanDerWaalsContact O-SG 3.39Å
268	I	95.8	Very high	94.5	Very high	101 Å²	101	102.3 Å²	102.3	52%	0.518	53%	0.527	S	S	.	.	H	α-helix	trans	-59.3	-47	177.3	-69.5	164.7	0	0	0	110	L264 D265 A270 C271 S272	L264-I268 VanDerWaalsContact O-CG1 3.28Å; L264-I268 WeakPolarHBondContact O-CG1 3.31Å; L264-I268 PolarHBondContact O-N 3.42Å; D265-I268 PolarHBondContact O-N 3.26Å; I268-A270 VanDerWaalsContact C-N 3.34Å; I268-A270 PolarHBondContact O-N 2.89Å; I268-C271 WeakPolarHBondContact O-CB 3.3Å; I268-C271 PolarHBondContact O-N 2.96Å; I268-S272 PolarHBondContact O-N 3.35Å; I268-S272 PolarHBondContact O-OG 3.47Å
269	E	95.8	Very high	94.3	Very high	101 Å²	101	99.9 Å²	99.9	47%	0.472	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-41.2	178	-165	-174.5	167.1	0	0	112.1	D265 I267 S272 R273	D265-E269 PolarHBondContact O-N 3.44Å; I267-E269 VanDerWaalsContact C-N 3.34Å; I267-E269 PolarHBondContact O-N 3.23Å; E269-S272 PolarHBondContact O-N 2.73Å; E269-R273 WeakPolarHBondContact O-CG 3.33Å; E269-R273 PolarHBondContact O-N 3.14Å; E269-R273 IonicContact OE1-CZ 3.99Å; E269-R273 IonicContact OE1-NE 2.73Å; E269-R273 PolarHBondContact OE1-NE 3.03Å; E269-R273 IonicContact OE1-NH2 3.63Å; E269-R273 PolarHBondContact OE1-NH2 3.5Å
270	A	94.4	Very high	94.1	Very high	57 Å²	57	100.3 Å²	100.3	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-43.3	175.5	0	0	0	0	0	112.1	S266 I267 I268 R273 F274	S266-A270 WeakPolarHBondContact O-CB 3.37Å; S266-A270 PolarHBondContact O-N 3.34Å; I267-A270 PolarHBondContact O-N 3.39Å; I268-A270 VanDerWaalsContact C-N 3.34Å; I268-A270 PolarHBondContact O-N 2.89Å; A270-R273 PolarHBondContact O-N 3.33Å; A270-F274 PolarHBondContact O-N 3.34Å
271	C	94.8	Very high	94	Very high	80 Å²	80	103.3 Å²	103.3	54%	0.541	51%	0.514	S	S	.	.	H	α-helix	trans	-60.2	-44.8	174	-75.3	0	0	0	0	111.7	I267 I268 R273 F274 D275	I267-C271 WeakPolarHBondContact O-CB 3.46Å; I267-C271 PolarHBondContact O-N 3.18Å; I267-C271 PolarHBondContact O-SG 3.35Å; I267-C271 VanDerWaalsContact O-SG 3.39Å; I268-C271 WeakPolarHBondContact O-CB 3.3Å; I268-C271 PolarHBondContact O-N 2.96Å; C271-R273 PolarHBondContact O-N 2.99Å; C271-F274 PolarHBondContact O-N 2.96Å; C271-D275 PolarHBondContact O-N 2.83Å
272	S	95	Very high	93.7	Very high	71 Å²	71	98.7 Å²	98.7	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-63.4	-39.5	177.2	-61.7	0	0	0	0	112.5	I268 E269 D275 Y276	I268-S272 PolarHBondContact O-N 3.35Å; I268-S272 PolarHBondContact O-OG 3.47Å; E269-S272 PolarHBondContact O-N 2.73Å; S272-D275 PolarHBondContact O-N 3.24Å; S272-Y276 WeakPolarHBondContact O-CB 3.49Å; S272-Y276 PolarHBondContact O-N 3.27Å
273	R	93.5	Very high	93.4	Very high	159 Å²	159	100.7 Å²	100.7	60%	0.6	51%	0.505	S	S	*	.	H	α-helix	trans	-64.9	-41.2	174.4	-72.5	177.8	-174.6	-161.9	4.4	112	E269 A270 C271 Y276 L277	E269-R273 WeakPolarHBondContact O-CG 3.33Å; E269-R273 PolarHBondContact O-N 3.14Å; E269-R273 IonicContact OE1-CZ 3.99Å; E269-R273 IonicContact OE1-NE 2.73Å; E269-R273 PolarHBondContact OE1-NE 3.03Å; E269-R273 IonicContact OE1-NH2 3.63Å; E269-R273 PolarHBondContact OE1-NH2 3.5Å; A270-R273 PolarHBondContact O-N 3.33Å; C271-R273 PolarHBondContact O-N 2.99Å; R273-Y276 PolarHBondContact O-N 3.41Å; R273-L277 WeakPolarHBondContact O-CG 3.44Å; R273-L277 PolarHBondContact O-N 3.48Å
274	F	92.9	Very high	93.3	Very high	138 Å²	138	100 Å²	100	61%	0.605	50%	0.502	S	S	*	.	H	α-helix	trans	-63.2	-45.6	177.2	-175.9	-95.2	0	0	0	111.7	A270 C271 Y276 L277 W278	A270-F274 PolarHBondContact O-N 3.34Å; C271-F274 PolarHBondContact O-N 2.96Å; F274-Y276 VanDerWaalsContact C-N 3.33Å; F274-Y276 PolarHBondContact O-N 3.38Å; F274-L277 PolarHBondContact O-N 3.29Å; F274-W278 HydrophobicContact CZ-CE3 4.34Å; F274-W278 WeakPolarHBondContact O-CB 3.46Å; F274-W278 PolarHBondContact O-N 2.86Å
275	D	92	Very high	93.1	Very high	100 Å²	100	99 Å²	99	54%	0.535	50%	0.496	S	S	.	.	H	α-helix	trans	-60.5	-42.3	176.5	-171.4	53.2	0	0	0	111.9	C271 S272 L277 W278 T279	C271-D275 PolarHBondContact O-N 2.83Å; S272-D275 PolarHBondContact O-N 3.24Å; D275-L277 PolarHBondContact O-N 2.96Å; D275-W278 PolarHBondContact O-N 3.22Å; D275-T279 WeakPolarHBondContact O-CB 3.46Å; D275-T279 VanDerWaalsContact O-CG2 3.31Å; D275-T279 WeakPolarHBondContact O-CG2 3.35Å; D275-T279 PolarHBondContact O-N 3.27Å; D275-T279 PolarHBondContact O-OG1 2.91Å
276	Y	92.4	Very high	92.7	Very high	149 Å²	149	96.7 Å²	96.7	58%	0.584	49%	0.492	S	S	*	.	H	α-helix	trans	-61.2	-44	174.2	-179.3	-99.5	0	0	0	113	S272 R273 F274 T279 N280	S272-Y276 WeakPolarHBondContact O-CB 3.49Å; S272-Y276 PolarHBondContact O-N 3.27Å; R273-Y276 PolarHBondContact O-N 3.41Å; F274-Y276 VanDerWaalsContact C-N 3.33Å; F274-Y276 PolarHBondContact O-N 3.38Å; Y276-T279 WeakPolarHBondContact CA-OG1 3.34Å; Y276-T279 PolarHBondContact O-OG1 2.87Å; Y276-N280 WeakPolarHBondContact CE1-ND2 3.04Å; Y276-N280 WeakPolarHBondContact O-CB 3.4Å; Y276-N280 PolarHBondContact O-N 2.89Å; Y276-N280 VanDerWaalsContact O-N 3.1Å; Y276-N280 PolarHBondContact O-ND2 2.91Å; Y276-N280 PolarHBondContact OH-ND2 3.4Å
277	L	92	Very high	92.5	Very high	113 Å²	113	95 Å²	95	59%	0.592	49%	0.486	S	S	*	.	H	α-helix	trans	-66.7	-41.6	177.4	-71.1	172.5	0	0	0	111.7	R273 F274 D275 N280 H281	R273-L277 WeakPolarHBondContact O-CG 3.44Å; R273-L277 PolarHBondContact O-N 3.48Å; F274-L277 PolarHBondContact O-N 3.29Å; D275-L277 PolarHBondContact O-N 2.96Å; L277-N280 PolarHBondContact O-N 2.89Å; L277-H281 WeakPolarHBondContact O-CB 3.32Å; L277-H281 PolarHBondContact O-N 3.48Å
278	W	90.7	Very high	92.3	Very high	148 Å²	148	96.5 Å²	96.5	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-63.3	-47.3	178.4	-175.7	-96.9	0	0	0	112	F274 D275 N280 H281 T282	F274-W278 HydrophobicContact CZ-CE3 4.34Å; F274-W278 WeakPolarHBondContact O-CB 3.46Å; F274-W278 PolarHBondContact O-N 2.86Å; D275-W278 PolarHBondContact O-N 3.22Å; W278-N280 VanDerWaalsContact C-N 3.33Å; W278-N280 PolarHBondContact O-N 2.92Å; W278-H281 PolarHBondContact O-N 3.36Å; W278-T282 WeakPolarHBondContact O-CG2 3.48Å; W278-T282 PolarHBondContact O-N 3.1Å; W278-T282 PolarHBondContact O-OG1 3.44Å
279	T	91.1	Very high	92.1	Very high	48 Å²	48	96.3 Å²	96.3	29%	0.294	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-37.5	177.3	51.8	0	0	0	0	112.3	D275 Y276 T282 R283	D275-T279 WeakPolarHBondContact O-CB 3.46Å; D275-T279 VanDerWaalsContact O-CG2 3.31Å; D275-T279 WeakPolarHBondContact O-CG2 3.35Å; D275-T279 PolarHBondContact O-N 3.27Å; D275-T279 PolarHBondContact O-OG1 2.91Å; Y276-T279 WeakPolarHBondContact CA-OG1 3.34Å; Y276-T279 PolarHBondContact O-OG1 2.87Å; T279-T282 WeakPolarHBondContact CA-OG1 3.23Å; T279-T282 PolarHBondContact O-OG1 3.43Å; T279-R283 VanDerWaalsContact O-CB 3.31Å; T279-R283 WeakPolarHBondContact O-CB 3.49Å; T279-R283 PolarHBondContact O-N 3.46Å
280	N	91.3	Very high	91.8	Very high	51 Å²	51	97.4 Å²	97.4	27%	0.273	50%	0.495	S	S	.	.	H	α-helix	trans	-69.4	-41.1	173.8	-76	-24.9	0	0	0	113	Y276 L277 W278 R283 N284	Y276-N280 WeakPolarHBondContact CE1-ND2 3.04Å; Y276-N280 WeakPolarHBondContact O-CB 3.4Å; Y276-N280 PolarHBondContact O-N 2.89Å; Y276-N280 VanDerWaalsContact O-N 3.1Å; Y276-N280 PolarHBondContact O-ND2 2.91Å; Y276-N280 PolarHBondContact OH-ND2 3.4Å; L277-N280 PolarHBondContact O-N 2.89Å; W278-N280 VanDerWaalsContact C-N 3.33Å; W278-N280 PolarHBondContact O-N 2.92Å; N280-R283 PolarHBondContact O-N 3.36Å; N280-R283 PolarHBondContact OD1-NH1 3.5Å; N280-N284 WeakPolarHBondContact O-CB 3.34Å; N280-N284 PolarHBondContact O-N 2.99Å
281	H	91.5	Very high	91.4	Very high	112 Å²	112	98.5 Å²	98.5	52%	0.519	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-46.9	178.1	-176.7	-95.6	0	0	0	111.6	L277 W278 R283 N284 I285	L277-H281 WeakPolarHBondContact O-CB 3.32Å; L277-H281 PolarHBondContact O-N 3.48Å; W278-H281 PolarHBondContact O-N 3.36Å; H281-R283 PolarHBondContact O-N 2.95Å; H281-N284 PolarHBondContact O-N 3.2Å; H281-I285 WeakPolarHBondContact CE1-CD1 3.31Å; H281-I285 WeakPolarHBondContact O-CG1 3.43Å; H281-I285 PolarHBondContact O-N 2.92Å
282	T	90.7	Very high	91.2	Very high	61 Å²	61	100 Å²	100	37%	0.374	50%	0.5	S	S	.	.	H	α-helix	trans	-61.5	-40.8	174.9	49.9	0	0	0	0	112.2	W278 T279 N284 I285 A286	W278-T282 WeakPolarHBondContact O-CG2 3.48Å; W278-T282 PolarHBondContact O-N 3.1Å; W278-T282 PolarHBondContact O-OG1 3.44Å; T279-T282 WeakPolarHBondContact CA-OG1 3.23Å; T279-T282 PolarHBondContact O-OG1 3.43Å; T282-N284 PolarHBondContact O-N 3.47Å; T282-I285 PolarHBondContact O-N 3.23Å; T282-A286 WeakPolarHBondContact O-CB 3.45Å; T282-A286 PolarHBondContact O-N 2.76Å
283	R	90.2	Very high	90.8	Very high	159 Å²	159	102.1 Å²	102.1	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-62.4	-40.2	173.3	-169.4	-178.1	-60.3	114.5	4.1	112.4	T279 N280 H281 A286 G287	T279-R283 VanDerWaalsContact O-CB 3.31Å; T279-R283 WeakPolarHBondContact O-CB 3.49Å; T279-R283 PolarHBondContact O-N 3.46Å; N280-R283 PolarHBondContact O-N 3.36Å; N280-R283 PolarHBondContact OD1-NH1 3.5Å; H281-R283 PolarHBondContact O-N 2.95Å; R283-A286 PolarHBondContact O-N 3.4Å; R283-G287 PolarHBondContact O-N 3.13Å
284	N	91.8	Very high	90.4	Very high	96 Å²	96	97.8 Å²	97.8	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-64.8	-48.7	177.3	-168.9	-23.4	0	0	0	111.1	N280 H281 T282 A286 G287 Q288	N280-N284 WeakPolarHBondContact O-CB 3.34Å; N280-N284 PolarHBondContact O-N 2.99Å; H281-N284 PolarHBondContact O-N 3.2Å; T282-N284 PolarHBondContact O-N 3.47Å; N284-A286 VanDerWaalsContact C-N 3.34Å; N284-A286 PolarHBondContact O-N 3.04Å; N284-G287 PolarHBondContact O-N 2.93Å; N284-G287 VanDerWaalsContact O-N 3.13Å; N284-Q288 WeakPolarHBondContact O-CG 3.4Å; N284-Q288 PolarHBondContact O-N 3.4Å; N284-Q288 PolarHBondContact OD1-NE2 2.94Å
285	I	92	Very high	90.1	Very high	74 Å²	74	96.1 Å²	96.1	38%	0.379	50%	0.504	S	S	.	.	H	α-helix	trans	-58.2	-46.3	175.6	-68.8	175.3	0	0	0	111	H281 T282 G287 Q288 L289	H281-I285 WeakPolarHBondContact CE1-CD1 3.31Å; H281-I285 WeakPolarHBondContact O-CG1 3.43Å; H281-I285 PolarHBondContact O-N 2.92Å; T282-I285 PolarHBondContact O-N 3.23Å; I285-G287 VanDerWaalsContact C-N 3.29Å; I285-G287 PolarHBondContact O-N 2.89Å; I285-Q288 PolarHBondContact O-N 2.93Å; I285-L289 HydrophobicContact CG2-CD1 3.92Å; I285-L289 HydrophobicContact CG2-CG 4.34Å; I285-L289 WeakPolarHBondContact O-CG 3.31Å; I285-L289 PolarHBondContact O-N 3.48Å
286	A	89.3	Confident	89.8	Confident	58 Å²	58	98.4 Å²	98.4	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-60	-40.8	177.3	0	0	0	0	0	111.8	T282 R283 N284 H290	T282-A286 WeakPolarHBondContact O-CB 3.45Å; T282-A286 PolarHBondContact O-N 2.76Å; R283-A286 PolarHBondContact O-N 3.4Å; N284-A286 VanDerWaalsContact C-N 3.34Å; N284-A286 PolarHBondContact O-N 3.04Å; A286-H290 WeakPolarHBondContact O-CB 3.38Å; A286-H290 PolarHBondContact O-N 2.97Å
287	G	89.9	Confident	89.2	Confident	35 Å²	35	102.7 Å²	102.7	36%	0.361	54%	0.538	S	S	.	.	H	α-helix	trans	-62.2	-45	173.9	0	0	0	0	0	113	R283 N284 I285 H290 C291	R283-G287 PolarHBondContact O-N 3.13Å; N284-G287 PolarHBondContact O-N 2.93Å; N284-G287 VanDerWaalsContact O-N 3.13Å; I285-G287 VanDerWaalsContact C-N 3.29Å; I285-G287 PolarHBondContact O-N 2.89Å; G287-H290 PolarHBondContact O-N 3.39Å; G287-C291 PolarHBondContact O-N 3.48Å; G287-C291 PolarHBondContact O-SG 3.28Å; G287-C291 VanDerWaalsContact O-SG 3.4Å
288	Q	91.2	Very high	89	Confident	115 Å²	115	102.2 Å²	102.2	54%	0.537	54%	0.535	S	S	.	.	H	α-helix	trans	-62.9	-45.2	176.9	-70	178.8	7	0	0	112	N284 I285 H290 C291 L292	N284-Q288 WeakPolarHBondContact O-CG 3.4Å; N284-Q288 PolarHBondContact O-N 3.4Å; N284-Q288 PolarHBondContact OD1-NE2 2.94Å; I285-Q288 PolarHBondContact O-N 2.93Å; Q288-H290 VanDerWaalsContact C-N 3.34Å; Q288-H290 PolarHBondContact O-N 3.29Å; Q288-C291 PolarHBondContact O-N 3.33Å; Q288-L292 WeakPolarHBondContact O-CG 3.3Å; Q288-L292 PolarHBondContact O-N 3.01Å
289	L	91.1	Very high	89	Confident	97 Å²	97	99.8 Å²	99.8	51%	0.508	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-41.9	175.8	-72	172.6	0	0	0	111.7	I285 L292 L293	I285-L289 HydrophobicContact CG2-CD1 3.92Å; I285-L289 HydrophobicContact CG2-CG 4.34Å; I285-L289 WeakPolarHBondContact O-CG 3.31Å; I285-L289 PolarHBondContact O-N 3.48Å; L289-L292 PolarHBondContact O-N 3.33Å; L289-L293 WeakPolarHBondContact O-CB 3.38Å; L289-L293 VanDerWaalsContact O-CG 3.3Å; L289-L293 WeakPolarHBondContact O-CG 3.48Å; L289-L293 PolarHBondContact O-N 3.4Å
290	H	89.7	Confident	88.8	Confident	125 Å²	125	102.7 Å²	102.7	58%	0.579	55%	0.547	S	S	*	.	H	α-helix	trans	-61.1	-45.3	175.1	-179.6	-79	0	0	0	111.8	A286 G287 Q288 L293 C294	A286-H290 WeakPolarHBondContact O-CB 3.38Å; A286-H290 PolarHBondContact O-N 2.97Å; G287-H290 PolarHBondContact O-N 3.39Å; Q288-H290 VanDerWaalsContact C-N 3.34Å; Q288-H290 PolarHBondContact O-N 3.29Å; H290-L293 PolarHBondContact O-N 2.97Å; H290-C294 VanDerWaalsContact CE1-SG 3.56Å; H290-C294 PolarHBondContact O-N 3.46Å
291	C	87.4	Confident	88.7	Confident	79 Å²	79	105.7 Å²	105.7	53%	0.534	56%	0.563	S	S	.	*	H	α-helix	trans	-60.8	-45.2	176	-72.6	0	0	0	0	112.3	G287 Q288 L293 C294 S295	G287-C291 PolarHBondContact O-N 3.48Å; G287-C291 PolarHBondContact O-SG 3.28Å; G287-C291 VanDerWaalsContact O-SG 3.4Å; Q288-C291 PolarHBondContact O-N 3.33Å; C291-L293 PolarHBondContact O-N 2.96Å; C291-C294 PolarHBondContact O-N 2.98Å; C291-S295 PolarHBondContact O-N 3.36Å; C291-S295 PolarHBondContact O-OG 3.4Å
292	L	89.2	Confident	88.5	Confident	112 Å²	112	105.3 Å²	105.3	59%	0.586	57%	0.566	S	S	*	*	H	α-helix	trans	-61	-42.5	176.9	-71.9	170.8	0	0	0	112	Q288 L289 C294 S295 L296	Q288-L292 WeakPolarHBondContact O-CG 3.3Å; Q288-L292 PolarHBondContact O-N 3.01Å; L289-L292 PolarHBondContact O-N 3.33Å; L292-C294 VanDerWaalsContact C-N 3.34Å; L292-C294 PolarHBondContact O-N 3.21Å; L292-S295 PolarHBondContact O-N 3.31Å; L292-L296 WeakPolarHBondContact O-CG 3.41Å; L292-L296 PolarHBondContact O-N 3.39Å
293	L	87.3	Confident	88.4	Confident	116 Å²	116	108.3 Å²	108.3	61%	0.607	58%	0.578	S	S	*	*	H	α-helix	trans	-66.1	-33.9	176.1	-71.6	170.7	0	0	0	112.8	L289 H290 C291	L289-L293 WeakPolarHBondContact O-CB 3.38Å; L289-L293 VanDerWaalsContact O-CG 3.3Å; L289-L293 WeakPolarHBondContact O-CG 3.48Å; L289-L293 PolarHBondContact O-N 3.4Å; H290-L293 PolarHBondContact O-N 2.97Å; C291-L293 PolarHBondContact O-N 2.96Å
294	C	85.7	Confident	88.2	Confident	68 Å²	68	104.6 Å²	104.6	46%	0.459	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-38.4	173.3	-83.2	0	0	0	0	112.6	H290 C291 L292 L296 K297	H290-C294 VanDerWaalsContact CE1-SG 3.56Å; H290-C294 PolarHBondContact O-N 3.46Å; C291-C294 PolarHBondContact O-N 2.98Å; L292-C294 VanDerWaalsContact C-N 3.34Å; L292-C294 PolarHBondContact O-N 3.21Å; C294-L296 VanDerWaalsContact C-N 3.26Å; C294-L296 PolarHBondContact O-N 2.97Å; C294-K297 PolarHBondContact O-N 3.49Å
295	S	85.7	Confident	88	Confident	102 Å²	102	105.3 Å²	105.3	71%	0.713	58%	0.582	S	S	*	*	H	α-helix	trans	-72.6	-14.7	178.7	-62.5	0	0	0	0	114.4	C291 L292	C291-S295 PolarHBondContact O-N 3.36Å; C291-S295 PolarHBondContact O-OG 3.4Å; L292-S295 PolarHBondContact O-N 3.31Å
296	L	85.7	Confident	87.6	Confident	148 Å²	148	107.9 Å²	107.9	78%	0.775	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-7.8	176.6	-72.8	169.8	0	0	0	113.6	L292 C294	L292-L296 WeakPolarHBondContact O-CG 3.41Å; L292-L296 PolarHBondContact O-N 3.39Å; C294-L296 VanDerWaalsContact C-N 3.26Å; C294-L296 PolarHBondContact O-N 2.97Å
297	K	79.5	Confident	87.5	Confident	240 Å²	240	112.5 Å²	112.5	100%	1.043	61%	0.609	S	S	*	*			trans	-95.2	0	173.9	-71.4	-177.4	178.6	179.2	0	110.6	C294	C294-K297 PolarHBondContact O-N 3.49Å

Retrieved 297 of 297 residues in 363.8 ms (Link to these results)

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