A0A077ZGM8_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZGM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 396 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	34.6	Very low	35.1	Very low	245 Å²	245	166.1 Å²	166.1	100%	1.207	86%	0.859	S	S	*	*				0	99.3	0	-87.1	175.7	164.7	0	0	107.2
2	V	32.4	Very low	35	Very low	139 Å²	139	168.7 Å²	168.7	84%	0.842	86%	0.859	S	S	*	*			trans	-113.7	106.3	173.7	179.6	0	0	0	0	106
3	T	32.6	Very low	34.8	Very low	133 Å²	133	169.5 Å²	169.5	82%	0.816	86%	0.858	S	S	*	*			trans	-67.9	123.2	173.9	29.9	0	0	0	0	109.4
4	L	33.1	Very low	35	Very low	167 Å²	167	166.1 Å²	166.1	87%	0.874	85%	0.849	S	S	*	*			trans	-81.6	111.5	176	-69.9	161.3	0	0	0	108.6
5	E	33	Very low	35.1	Very low	178 Å²	178	164.9 Å²	164.9	83%	0.832	85%	0.845	S	S	*	*			trans	-78	139.5	167	-70.7	-161.5	164	0	0	110.3	E7	E5-E7 PolarHBondContact O-N 3.29Å
6	P	40.4	Very low	35.2	Very low	118 Å²	118	163.9 Å²	163.9	77%	0.766	84%	0.841	S	S	*	*			trans	-82.2	106.9	-175.3	32.3	-32.7	0	0	0	110.8	T8	P6-T8 PolarHBondContact O-N 3.04Å
7	E	35	Very low	35.4	Very low	190 Å²	190	159.3 Å²	159.3	89%	0.888	82%	0.824	S	S	*	*			trans	-63.8	104.7	169.3	-78.8	-167.5	159.2	0	0	110.6	E5 S9	E5-E7 PolarHBondContact O-N 3.29Å; E7-S9 VanDerWaalsContact C-N 3.27Å; E7-S9 PolarHBondContact O-N 2.9Å
8	T	36.4	Very low	35.9	Very low	127 Å²	127	161.8 Å²	161.8	78%	0.779	83%	0.831	S	S	*	*			trans	-74.9	82.3	166.8	42.6	0	0	0	0	109.1	P6 K10	P6-T8 PolarHBondContact O-N 3.04Å; T8-K10 PolarHBondContact O-N 2.98Å
9	S	36.8	Very low	36.4	Very low	105 Å²	105	163.4 Å²	163.4	73%	0.734	83%	0.832	S	S	*	*			trans	-65.9	94.2	172.2	-170.2	0	0	0	0	109.6	E7 R11	E7-S9 VanDerWaalsContact C-N 3.27Å; E7-S9 PolarHBondContact O-N 2.9Å; S9-R11 VanDerWaalsContact C-N 3.33Å; S9-R11 PolarHBondContact O-N 2.99Å
10	K	36.4	Very low	36.9	Very low	191 Å²	191	162.1 Å²	162.1	83%	0.83	82%	0.82	S	S	*	*			trans	-59.4	96.2	167.2	-74.3	-177.9	177.1	179.1	0	107.9	T8 K12	T8-K10 PolarHBondContact O-N 2.98Å; K10-K12 PolarHBondContact O-N 2.89Å
11	R	34.8	Very low	37.4	Very low	234 Å²	234	158.2 Å²	158.2	88%	0.883	80%	0.802	S	S	*	*			trans	-52.6	110.2	165.3	-80.6	-178.8	178.1	-177.7	-0.8	107.3	S9 E13	S9-R11 VanDerWaalsContact C-N 3.33Å; S9-R11 PolarHBondContact O-N 2.99Å; R11-E13 PolarHBondContact O-N 3.03Å
12	K	34.4	Very low	38.3	Very low	197 Å²	197	151 Å²	151	86%	0.857	77%	0.773	S	S	*	*			trans	-63.8	103.2	164.6	-73	-178	175.2	-178.9	0	106.4	K10 V14	K10-K12 PolarHBondContact O-N 2.89Å; K12-V14 PolarHBondContact O-N 3.22Å
13	E	32.3	Very low	39.4	Very low	180 Å²	180	149.8 Å²	149.8	84%	0.841	77%	0.766	S	S	*	*			trans	-55	109.9	160.3	-95.1	172.7	148.7	0	0	106.7	R11 D15	R11-E13 PolarHBondContact O-N 3.03Å; E13-D15 PolarHBondContact O-N 3.04Å
14	V	37.8	Very low	40.4	Very low	121 Å²	121	145.6 Å²	145.6	73%	0.733	74%	0.739	S	S	*	*			trans	-74.8	104.5	167.7	177.6	0	0	0	0	104.3	K12 L16	K12-V14 PolarHBondContact O-N 3.22Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 2.83Å
15	D	36.4	Very low	42	Very low	148 Å²	148	144.9 Å²	144.9	79%	0.791	73%	0.731	S	S	*	*			trans	-53.3	99.7	171	-80.3	-38	0	0	0	108.5	E13 P17	E13-D15 PolarHBondContact O-N 3.04Å; D15-P17 WeakPolarHBondContact O-CD 3.47Å
16	L	37	Very low	43.3	Very low	150 Å²	150	143 Å²	143	79%	0.785	73%	0.725	S	S	*	*			trans	-66.4	119.9	170	-79.5	158.4	0	0	0	106	V14 E18	V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 2.83Å; L16-E18 PolarHBondContact O-N 2.69Å
17	P	38.9	Very low	44.2	Very low	85 Å²	85	142.5 Å²	142.5	55%	0.552	71%	0.709	S	S	*	*			trans	-57.5	132.4	-173.2	19.7	-29.4	0	0	0	110.1	D15 K19	D15-P17 WeakPolarHBondContact O-CD 3.47Å; P17-K19 PolarHBondContact O-N 3.27Å
18	E	43.6	Very low	45.4	Very low	204 Å²	204	136.9 Å²	136.9	95%	0.953	68%	0.683	S	S	*	*	S	Bend	trans	-50.6	12.7	-173.4	-96.4	-178.5	151.4	0	0	117.8	L16 F20	L16-E18 PolarHBondContact O-N 2.69Å; E18-F20 VanDerWaalsContact C-N 3.28Å; E18-F20 PolarHBondContact O-N 3.11Å
19	K	45	Very low	46.8	Very low	192 Å²	192	133.8 Å²	133.8	84%	0.835	66%	0.659	S	S	*	*			trans	-92.5	30.1	172.9	-69.8	-172	176.5	-178.8	0	113.1	P17 N21	P17-K19 PolarHBondContact O-N 3.27Å; K19-N21 PolarHBondContact O-N 2.7Å
20	F	46.7	Very low	48.3	Very low	137 Å²	137	130.3 Å²	130.3	60%	0.601	63%	0.633	S	S	*	*			trans	-77.8	89.7	172.9	-159.3	-93.6	0	0	0	109.4	E18 P22	E18-F20 VanDerWaalsContact C-N 3.28Å; E18-F20 PolarHBondContact O-N 3.11Å; F20-P22 WeakPolarHBondContact O-CD 3.48Å
21	N	47.5	Very low	49.8	Very low	81 Å²	81	122.3 Å²	122.3	43%	0.433	60%	0.599	S	S	.	*			trans	-81.2	108.8	174.3	-173.3	-9.5	0	0	0	109.7	K19 T23 L24	K19-N21 PolarHBondContact O-N 2.7Å; N21-T23 VanDerWaalsContact CG-OG1 3.28Å; N21-T23 PolarHBondContact ND2-OG1 2.95Å; N21-T23 PolarHBondContact O-N 3.33Å; N21-T23 VanDerWaalsContact O-N 3.15Å; N21-T23 PolarHBondContact OD1-N 3.34Å; N21-T23 PolarHBondContact OD1-OG1 3.41Å; N21-L24 HydrophobicContact CB-CD1 4.2Å; N21-L24 HydrophobicContact CB-CG 4.11Å; N21-L24 WeakPolarHBondContact O-CG 3.33Å; N21-L24 PolarHBondContact O-N 3.38Å
22	P	53.8	Low	51.4	Low	93 Å²	93	113.5 Å²	113.5	60%	0.604	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-19	-173.4	26.5	-34.3	0	0	0	113.5	F20 L24 K29	F20-P22 WeakPolarHBondContact O-CD 3.48Å; P22-L24 PolarHBondContact O-N 3.42Å; P22-K29 PolarHBondContact O-NZ 3.06Å
23	T	55.9	Low	53	Low	115 Å²	115	109.7 Å²	109.7	71%	0.706	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-7.4	179.7	56.4	0	0	0	0	114.3	N21 Q25	N21-T23 VanDerWaalsContact CG-OG1 3.28Å; N21-T23 PolarHBondContact ND2-OG1 2.95Å; N21-T23 PolarHBondContact O-N 3.33Å; N21-T23 VanDerWaalsContact O-N 3.15Å; N21-T23 PolarHBondContact OD1-N 3.34Å; N21-T23 PolarHBondContact OD1-OG1 3.41Å; T23-Q25 PolarHBondContact O-N 2.9Å
24	L	53.8	Low	54.7	Low	44 Å²	44	101.6 Å²	101.6	23%	0.23	52%	0.517	C	S	.	.	S	Bend	trans	-69.2	132.8	179.5	-66.6	179	0	0	0	111.9	N21 P22 Q28 K29 D32	N21-L24 HydrophobicContact CB-CD1 4.2Å; N21-L24 HydrophobicContact CB-CG 4.11Å; N21-L24 WeakPolarHBondContact O-CG 3.33Å; N21-L24 PolarHBondContact O-N 3.38Å; P22-L24 PolarHBondContact O-N 3.42Å; L24-Q28 HydrophobicContact CB-CB 4.19Å; L24-Q28 HydrophobicContact CB-CG 4.34Å; L24-Q28 HydrophobicContact CD1-CG 4.15Å; L24-Q28 HydrophobicContact CD2-CB 4.26Å; L24-Q28 HydrophobicContact CD2-CG 3.64Å; L24-Q28 HydrophobicContact CG-CG 4.25Å; L24-K29 HydrophobicContact CB-CG 3.75Å; L24-K29 WeakPolarHBondContact O-CD 3.19Å; L24-K29 WeakPolarHBondContact O-CE 3.42Å; L24-K29 PolarHBondContact O-NZ 2.85Å; L24-D32 WeakPolarHBondContact CD1-OD2 3.46Å
25	Q	66.7	Low	56.1	Low	152 Å²	152	99.3 Å²	99.3	71%	0.71	50%	0.501	S	S	*	.			trans	-60.6	153.3	170.3	-65.7	-171.6	3.8	0	0	110.2	T23 Y27 Q28 K29	T23-Q25 PolarHBondContact O-N 2.9Å; Q25-Y27 PolarHBondContact O-N 2.86Å; Q25-Y27 VanDerWaalsContact O-N 3.13Å; Q25-Q28 WeakPolarHBondContact O-CA 3.42Å; Q25-Q28 WeakPolarHBondContact O-CB 3.33Å; Q25-Q28 PolarHBondContact O-N 3.13Å; Q25-K29 PolarHBondContact O-N 3.4Å
26	L	60.3	Low	57.5	Low	138 Å²	138	98.3 Å²	98.3	72%	0.723	50%	0.495	S	S	*	.	H	α-helix	trans	-51.7	-41.6	-175.7	-176.3	63.9	0	0	0	112.6	Q28 K29 V30	L26-Q28 PolarHBondContact O-N 3.44Å; L26-K29 PolarHBondContact O-N 3.49Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.21Å; L26-V30 PolarHBondContact O-N 3.2Å
27	Y	57.6	Low	59.1	Low	108 Å²	108	93.4 Å²	93.4	42%	0.424	47%	0.47	S	S	.	.	H	α-helix	trans	-57.3	-45.7	175	179.5	-97.3	0	0	0	112.6	Q25 V30 L31 L53	Q25-Y27 PolarHBondContact O-N 2.86Å; Q25-Y27 VanDerWaalsContact O-N 3.13Å; Y27-V30 PolarHBondContact O-N 3.25Å; Y27-L31 HydrophobicContact CD1-CD1 3.77Å; Y27-L31 HydrophobicContact CD1-CG 4.42Å; Y27-L31 HydrophobicContact CE1-CD1 3.19Å; Y27-L31 HydrophobicContact CE1-CG 4.04Å; Y27-L31 PolarHBondContact O-N 2.95Å; Y27-L53 HydrophobicContact CD2-CD1 4.15Å; Y27-L53 HydrophobicContact CE2-CD1 3.43Å; Y27-L53 VanDerWaalsContact CE2-CD1 3.43Å; Y27-L53 HydrophobicContact CE2-CG 4.19Å
28	Q	61.9	Low	60.1	Low	73 Å²	73	91 Å²	91	34%	0.341	46%	0.461	S	S	.	.	H	α-helix	trans	-70.1	-38.2	179.9	-167.3	61.1	47.9	0	0	111.7	L24 Q25 L26 V30 L31 D32	L24-Q28 HydrophobicContact CB-CB 4.19Å; L24-Q28 HydrophobicContact CB-CG 4.34Å; L24-Q28 HydrophobicContact CD1-CG 4.15Å; L24-Q28 HydrophobicContact CD2-CB 4.26Å; L24-Q28 HydrophobicContact CD2-CG 3.64Å; L24-Q28 HydrophobicContact CG-CG 4.25Å; Q25-Q28 WeakPolarHBondContact O-CA 3.42Å; Q25-Q28 WeakPolarHBondContact O-CB 3.33Å; Q25-Q28 PolarHBondContact O-N 3.13Å; L26-Q28 PolarHBondContact O-N 3.44Å; Q28-V30 VanDerWaalsContact C-N 3.29Å; Q28-V30 PolarHBondContact O-N 3.13Å; Q28-L31 PolarHBondContact O-N 3.35Å; Q28-D32 PolarHBondContact NE2-OD1 3.26Å; Q28-D32 WeakPolarHBondContact O-CB 3.32Å; Q28-D32 VanDerWaalsContact O-CG 3.28Å; Q28-D32 PolarHBondContact O-N 3.31Å
29	K	64.5	Low	61.1	Low	61 Å²	61	84.8 Å²	84.8	27%	0.265	44%	0.44	S	S	.	.	H	α-helix	trans	-58.2	-43	173.1	-72.5	177.2	171.9	156.2	0	111.7	P22 L24 Q25 L26 D32 Q33	P22-K29 PolarHBondContact O-NZ 3.06Å; L24-K29 HydrophobicContact CB-CG 3.75Å; L24-K29 WeakPolarHBondContact O-CD 3.19Å; L24-K29 WeakPolarHBondContact O-CE 3.42Å; L24-K29 PolarHBondContact O-NZ 2.85Å; Q25-K29 PolarHBondContact O-N 3.4Å; L26-K29 PolarHBondContact O-N 3.49Å; K29-D32 PolarHBondContact O-N 3.32Å; K29-Q33 WeakPolarHBondContact O-CB 3.06Å; K29-Q33 WeakPolarHBondContact O-CG 3.39Å; K29-Q33 PolarHBondContact O-N 3.38Å
30	V	68.8	Low	61.9	Low	33 Å²	33	82 Å²	82	20%	0.2	42%	0.424	C	S	.	.	H	α-helix	trans	-68.8	-41.6	178.3	172.4	0	0	0	0	111.5	L26 Y27 Q28 D32 Q33 L34 L75	L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.21Å; L26-V30 PolarHBondContact O-N 3.2Å; Y27-V30 PolarHBondContact O-N 3.25Å; Q28-V30 VanDerWaalsContact C-N 3.29Å; Q28-V30 PolarHBondContact O-N 3.13Å; V30-D32 VanDerWaalsContact C-N 3.35Å; V30-Q33 PolarHBondContact O-N 3.04Å; V30-L34 HydrophobicContact CG1-CD1 4.16Å; V30-L34 WeakPolarHBondContact O-CB 3.16Å; V30-L34 VanDerWaalsContact O-CG 3.28Å; V30-L34 WeakPolarHBondContact O-CG 3.41Å; V30-L34 PolarHBondContact O-N 3.28Å; V30-L75 HydrophobicContact CG1-CD1 3.7Å; V30-L75 HydrophobicContact CG1-CD2 3.28Å; V30-L75 HydrophobicContact CG1-CG 4.1Å
31	L	68	Low	62.5	Low	23 Å²	23	77.6 Å²	77.6	12%	0.12	41%	0.406	C	S	.	.	H	α-helix	trans	-60.1	-44.7	173.2	-81.7	177.1	0	0	0	112	Y27 Q28 L34 N35 L53	Y27-L31 HydrophobicContact CD1-CD1 3.77Å; Y27-L31 HydrophobicContact CD1-CG 4.42Å; Y27-L31 HydrophobicContact CE1-CD1 3.19Å; Y27-L31 HydrophobicContact CE1-CG 4.04Å; Y27-L31 PolarHBondContact O-N 2.95Å; Q28-L31 PolarHBondContact O-N 3.35Å; L31-L34 PolarHBondContact O-N 3.2Å; L31-N35 WeakPolarHBondContact O-CB 3.46Å; L31-N35 PolarHBondContact O-N 3.45Å; L31-N35 PolarHBondContact O-ND2 2.86Å; L31-L53 HydrophobicContact CD2-CD2 3.5Å; L31-L53 VanDerWaalsContact CD2-CD2 3.5Å; L31-L53 HydrophobicContact CD2-CG 4.11Å; L31-L53 HydrophobicContact CG-CD2 4.24Å
32	D	67.6	Low	63.1	Low	48 Å²	48	78.3 Å²	78.3	26%	0.257	41%	0.41	S	S	.	.	H	α-helix	trans	-65.2	-44.2	179.9	-72.3	1.1	0	0	0	110.9	L24 Q28 K29 V30 L34 N35 L36	L24-D32 WeakPolarHBondContact CD1-OD2 3.46Å; Q28-D32 PolarHBondContact NE2-OD1 3.26Å; Q28-D32 WeakPolarHBondContact O-CB 3.32Å; Q28-D32 VanDerWaalsContact O-CG 3.28Å; Q28-D32 PolarHBondContact O-N 3.31Å; K29-D32 PolarHBondContact O-N 3.32Å; V30-D32 VanDerWaalsContact C-N 3.35Å; D32-L34 VanDerWaalsContact C-N 3.33Å; D32-L34 PolarHBondContact O-N 2.93Å; D32-N35 PolarHBondContact O-N 3.11Å; D32-N35 VanDerWaalsContact O-N 3.1Å; D32-L36 WeakPolarHBondContact O-CB 3.19Å; D32-L36 WeakPolarHBondContact O-CD1 3.42Å; D32-L36 WeakPolarHBondContact O-CG 3.05Å; D32-L36 PolarHBondContact O-N 2.64Å
33	Q	69.9	Low	63.4	Low	118 Å²	118	80 Å²	80	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-59.1	-42.6	173	-77.2	179.7	-7.6	0	0	112.3	K29 V30 N35 L36 D37	K29-Q33 WeakPolarHBondContact O-CB 3.06Å; K29-Q33 WeakPolarHBondContact O-CG 3.39Å; K29-Q33 PolarHBondContact O-N 3.38Å; V30-Q33 PolarHBondContact O-N 3.04Å; Q33-N35 VanDerWaalsContact C-N 3.27Å; Q33-N35 PolarHBondContact O-N 3.15Å; Q33-L36 PolarHBondContact O-N 3.32Å; Q33-D37 PolarHBondContact O-N 3.06Å
34	L	66.5	Low	63.5	Low	9 Å²	9	74.9 Å²	74.9	5%	0.047	38%	0.378	C	S	.	.	H	α-helix	trans	-65.9	-30.2	175.9	-75.8	173.1	0	0	0	112.9	V30 L31 D32 L41 L53 I74 L75	V30-L34 HydrophobicContact CG1-CD1 4.16Å; V30-L34 WeakPolarHBondContact O-CB 3.16Å; V30-L34 VanDerWaalsContact O-CG 3.28Å; V30-L34 WeakPolarHBondContact O-CG 3.41Å; V30-L34 PolarHBondContact O-N 3.28Å; L31-L34 PolarHBondContact O-N 3.2Å; D32-L34 VanDerWaalsContact C-N 3.33Å; D32-L34 PolarHBondContact O-N 2.93Å; L34-L41 VanDerWaalsContact O-CD1 3.27Å; L34-L41 WeakPolarHBondContact O-CD1 3.3Å; L34-L53 HydrophobicContact CD1-CD2 3.56Å; L34-I74 HydrophobicContact CD1-CG2 3.89Å; L34-I74 HydrophobicContact CD2-CG2 3.61Å; L34-I74 HydrophobicContact CG-CG2 4.43Å; L34-L75 HydrophobicContact CD1-CD2 4.04Å
35	N	67.7	Low	63.8	Low	74 Å²	74	77 Å²	77	40%	0.396	39%	0.39	S	S	.	.	H	α-helix	trans	-77	-33.3	175.8	-69	-23.9	0	0	0	112.4	L31 D32 Q33 R50	L31-N35 WeakPolarHBondContact O-CB 3.46Å; L31-N35 PolarHBondContact O-N 3.45Å; L31-N35 PolarHBondContact O-ND2 2.86Å; D32-N35 PolarHBondContact O-N 3.11Å; D32-N35 VanDerWaalsContact O-N 3.1Å; Q33-N35 VanDerWaalsContact C-N 3.27Å; Q33-N35 PolarHBondContact O-N 3.15Å; N35-R50 VanDerWaalsContact OD1-CZ 3.28Å; N35-R50 PolarHBondContact OD1-NH1 3.26Å; N35-R50 PolarHBondContact OD1-NH2 2.95Å
36	L	66.3	Low	63.4	Low	127 Å²	127	77.9 Å²	77.9	67%	0.665	39%	0.394	S	S	*	.	H	α-helix	trans	-78.2	-26.4	-180	-70.9	165.4	0	0	0	112.8	D32 Q33 G38	D32-L36 WeakPolarHBondContact O-CB 3.19Å; D32-L36 WeakPolarHBondContact O-CD1 3.42Å; D32-L36 WeakPolarHBondContact O-CG 3.05Å; D32-L36 PolarHBondContact O-N 2.64Å; Q33-L36 PolarHBondContact O-N 3.32Å; L36-G38 VanDerWaalsContact C-N 3.28Å; L36-G38 PolarHBondContact O-N 3.46Å
37	D	69.4	Low	63.3	Low	47 Å²	47	73.8 Å²	73.8	25%	0.251	38%	0.38	S	S	.	.			trans	-75.7	79.4	174.8	-169.4	-17.3	0	0	0	111.1	Q33 S39 R40 L41	Q33-D37 PolarHBondContact O-N 3.06Å; D37-S39 PolarHBondContact O-N 3.41Å; D37-S39 PolarHBondContact OD1-N 2.94Å; D37-S39 PolarHBondContact OD1-OG 3.46Å; D37-R40 HydrophobicContact CB-CB 4.15Å; D37-R40 PolarHBondContact O-N 3.26Å; D37-R40 VanDerWaalsContact O-N 3.13Å; D37-R40 PolarHBondContact OD1-N 3.1Å; D37-R40 VanDerWaalsContact OD1-N 3.11Å; D37-R40 WeakPolarHBondContact OD2-CD 3.41Å; D37-R40 WeakPolarHBondContact OD2-CG 3.48Å; D37-R40 IonicContact OD2-CZ 2.61Å; D37-R40 IonicContact OD2-NE 3.78Å; D37-R40 PolarHBondContact OD2-NE 2.88Å; D37-R40 IonicContact OD2-NH1 3.72Å; D37-L41 PolarHBondContact O-N 2.93Å
38	G	60.4	Low	63.8	Low	35 Å²	35	70.3 Å²	70.3	36%	0.361	38%	0.377	S	S	.	.	H	α-helix	trans	-58.8	-27.8	-179.1	0	0	0	0	0	113.9	L36 N42	L36-G38 VanDerWaalsContact C-N 3.28Å; L36-G38 PolarHBondContact O-N 3.46Å; G38-N42 WeakPolarHBondContact O-CB 3.04Å; G38-N42 PolarHBondContact O-N 2.85Å; G38-N42 PolarHBondContact O-ND2 2.89Å
39	S	64.5	Low	64.8	Low	73 Å²	73	67.8 Å²	67.8	51%	0.51	37%	0.371	S	S	.	.	H	α-helix	trans	-67.8	-45.6	175.7	78	0	0	0	0	111.3	D37 N42 Q43	D37-S39 PolarHBondContact O-N 3.41Å; D37-S39 PolarHBondContact OD1-N 2.94Å; D37-S39 PolarHBondContact OD1-OG 3.46Å; S39-N42 PolarHBondContact O-N 3.24Å; S39-Q43 WeakPolarHBondContact O-CG 3.42Å; S39-Q43 PolarHBondContact O-N 3.21Å; S39-Q43 VanDerWaalsContact O-N 3.13Å
40	R	62	Low	65.8	Low	133 Å²	133	68.4 Å²	68.4	50%	0.502	37%	0.371	S	S	.	.	H	α-helix	trans	-68.2	-40.1	173.4	-78.1	-172.6	-179	158.3	-3.3	111.6	D37 N42 Q43 I44	D37-R40 HydrophobicContact CB-CB 4.15Å; D37-R40 PolarHBondContact O-N 3.26Å; D37-R40 VanDerWaalsContact O-N 3.13Å; D37-R40 PolarHBondContact OD1-N 3.1Å; D37-R40 VanDerWaalsContact OD1-N 3.11Å; D37-R40 WeakPolarHBondContact OD2-CD 3.41Å; D37-R40 WeakPolarHBondContact OD2-CG 3.48Å; D37-R40 IonicContact OD2-CZ 2.61Å; D37-R40 IonicContact OD2-NE 3.78Å; D37-R40 PolarHBondContact OD2-NE 2.88Å; D37-R40 IonicContact OD2-NH1 3.72Å; R40-N42 VanDerWaalsContact C-N 3.29Å; R40-N42 PolarHBondContact O-N 3.29Å; R40-Q43 PolarHBondContact O-N 3.35Å; R40-I44 WeakPolarHBondContact O-CB 3.46Å; R40-I44 WeakPolarHBondContact O-CD1 3.28Å; R40-I44 WeakPolarHBondContact O-CG1 3.45Å; R40-I44 PolarHBondContact O-N 3.38Å
41	L	59.9	Low	66.7	Low	44 Å²	44	67.9 Å²	67.9	23%	0.23	37%	0.367	C	S	.	.	H	α-helix	trans	-60.1	-42.1	177.8	-141.8	97.6	0	0	0	111.2	L34 D37 I44 N45	L34-L41 VanDerWaalsContact O-CD1 3.27Å; L34-L41 WeakPolarHBondContact O-CD1 3.3Å; D37-L41 PolarHBondContact O-N 2.93Å; L41-I44 PolarHBondContact O-N 2.68Å; L41-N45 WeakPolarHBondContact O-CB 3.27Å; L41-N45 VanDerWaalsContact O-CG 3.23Å; L41-N45 PolarHBondContact O-N 3.02Å; L41-N45 PolarHBondContact O-ND2 2.85Å
42	N	59.7	Low	67.5	Low	97 Å²	97	71.8 Å²	71.8	52%	0.519	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-44.3	175.9	-77	-18.6	0	0	0	112.2	G38 S39 R40 I44 N45 Q46	G38-N42 WeakPolarHBondContact O-CB 3.04Å; G38-N42 PolarHBondContact O-N 2.85Å; G38-N42 PolarHBondContact O-ND2 2.89Å; S39-N42 PolarHBondContact O-N 3.24Å; R40-N42 VanDerWaalsContact C-N 3.29Å; R40-N42 PolarHBondContact O-N 3.29Å; N42-I44 VanDerWaalsContact C-N 3.31Å; N42-I44 PolarHBondContact O-N 3.46Å; N42-N45 PolarHBondContact O-N 3.5Å; N42-Q46 WeakPolarHBondContact O-CB 3.27Å; N42-Q46 VanDerWaalsContact O-CG 3.32Å; N42-Q46 WeakPolarHBondContact O-CG 3.42Å; N42-Q46 PolarHBondContact O-N 3.32Å
43	Q	61.1	Low	68.5	Low	128 Å²	128	69.9 Å²	69.9	60%	0.598	37%	0.37	S	S	*	.	H	α-helix	trans	-60.9	-40.9	173.9	-72.1	176.7	9.7	0	0	111.8	S39 R40 A47	S39-Q43 WeakPolarHBondContact O-CG 3.42Å; S39-Q43 PolarHBondContact O-N 3.21Å; S39-Q43 VanDerWaalsContact O-N 3.13Å; R40-Q43 PolarHBondContact O-N 3.35Å; Q43-A47 VanDerWaalsContact O-CB 3.3Å; Q43-A47 WeakPolarHBondContact O-CB 3.5Å; Q43-A47 PolarHBondContact O-N 3.38Å; Q43-A47 VanDerWaalsContact O-N 3.11Å
44	I	58.1	Low	69.4	Low	8 Å²	8	64.2 Å²	64.2	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-65.2	-43.4	177.6	-68	162.8	0	0	0	111.6	R40 L41 N42 A47 G49 R50 Q55 I74	R40-I44 WeakPolarHBondContact O-CB 3.46Å; R40-I44 WeakPolarHBondContact O-CD1 3.28Å; R40-I44 WeakPolarHBondContact O-CG1 3.45Å; R40-I44 PolarHBondContact O-N 3.38Å; L41-I44 PolarHBondContact O-N 2.68Å; N42-I44 VanDerWaalsContact C-N 3.31Å; N42-I44 PolarHBondContact O-N 3.46Å; I44-A47 PolarHBondContact O-N 3.49Å; I44-G49 PolarHBondContact O-N 3.13Å; I44-R50 HydrophobicContact CG2-CB 3.54Å; I44-R50 HydrophobicContact CG2-CG 3.92Å; I44-Q55 HydrophobicContact CG1-CG 4.41Å; I44-Q55 HydrophobicContact CG2-CB 4.42Å; I44-Q55 HydrophobicContact CG2-CG 4.1Å; I44-I74 HydrophobicContact CD1-CD1 4.06Å
45	N	58.3	Low	70.6	Confident	89 Å²	89	66.4 Å²	66.4	48%	0.476	35%	0.354	S	S	.	.	H	α-helix	trans	-67.6	-40.4	179.2	-72.7	-22.9	0	0	0	112	L41 N42 A47 G48	L41-N45 WeakPolarHBondContact O-CB 3.27Å; L41-N45 VanDerWaalsContact O-CG 3.23Å; L41-N45 PolarHBondContact O-N 3.02Å; L41-N45 PolarHBondContact O-ND2 2.85Å; N42-N45 PolarHBondContact O-N 3.5Å; N45-A47 VanDerWaalsContact C-N 3.25Å; N45-A47 PolarHBondContact O-N 2.96Å; N45-G48 PolarHBondContact O-N 2.88Å
46	Q	58.8	Low	71.8	Confident	169 Å²	169	63.6 Å²	63.6	79%	0.79	34%	0.339	S	S	*	.	H	α-helix	trans	-64	-30.5	174.5	-72.9	177.6	14.2	0	0	112.5	N42 G48	N42-Q46 WeakPolarHBondContact O-CB 3.27Å; N42-Q46 VanDerWaalsContact O-CG 3.32Å; N42-Q46 WeakPolarHBondContact O-CG 3.42Å; N42-Q46 PolarHBondContact O-N 3.32Å; Q46-G48 PolarHBondContact O-N 3.44Å
47	A	59.1	Low	73	Confident	52 Å²	52	58.5 Å²	58.5	43%	0.43	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	0.1	-176.5	0	0	0	0	0	115.7	Q43 I44 N45 L56	Q43-A47 VanDerWaalsContact O-CB 3.3Å; Q43-A47 WeakPolarHBondContact O-CB 3.5Å; Q43-A47 PolarHBondContact O-N 3.38Å; Q43-A47 VanDerWaalsContact O-N 3.11Å; I44-A47 PolarHBondContact O-N 3.49Å; N45-A47 VanDerWaalsContact C-N 3.25Å; N45-A47 PolarHBondContact O-N 2.96Å; A47-L56 VanDerWaalsContact O-O 3.09Å
48	G	66.5	Low	74.1	Confident	36 Å²	36	61.8 Å²	61.8	37%	0.371	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	124.9	6.1	178.4	0	0	0	0	0	116	N45 Q46 L56	N45-G48 PolarHBondContact O-N 2.88Å; Q46-G48 PolarHBondContact O-N 3.44Å; G48-L56 CarbonylContact C-O 3.54Å; G48-L56 WeakPolarHBondContact CA-O 3.49Å
49	G	83.5	Confident	75.7	Confident	20 Å²	20	64.7 Å²	64.7	21%	0.206	34%	0.335	C	S	.	.			trans	93.4	173	175.8	0	0	0	0	0	114.2	I44 L56	I44-G49 PolarHBondContact O-N 3.13Å; G49-L56 WeakPolarHBondContact O-CB 3.47Å; G49-L56 PolarHBondContact O-N 3.02Å
50	R	86.5	Confident	77	Confident	73 Å²	73	65 Å²	65	28%	0.275	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.5	-179.4	-159.1	-179.7	59	179	-0.4	111.3	N35 I44 R52 Y54 I74	N35-R50 VanDerWaalsContact OD1-CZ 3.28Å; N35-R50 PolarHBondContact OD1-NH1 3.26Å; N35-R50 PolarHBondContact OD1-NH2 2.95Å; I44-R50 HydrophobicContact CG2-CB 3.54Å; I44-R50 HydrophobicContact CG2-CG 3.92Å; R50-R52 WeakPolarHBondContact CD-O 3.3Å; R50-R52 WeakPolarHBondContact CG-O 3.44Å; R50-Y54 CarbonylContact C-O 3.57Å; R50-Y54 WeakPolarHBondContact CA-O 3.36Å; R50-Y54 VanDerWaalsContact CG-O 3.3Å; R50-Y54 WeakPolarHBondContact CG-O 3.3Å; R50-I74 HydrophobicContact CG-CD1 3.98Å
51	I	86.5	Confident	78.4	Confident	22 Å²	22	59.9 Å²	59.9	11%	0.113	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.8	162.9	-174.8	61.9	0	0	0	109.1	L53 Y54 L56 I82 I121 T123 Y128	I51-L53 PolarHBondContact O-N 3.25Å; I51-Y54 PolarHBondContact N-O 3.19Å; I51-Y54 WeakPolarHBondContact O-CA 3.25Å; I51-Y54 WeakPolarHBondContact O-CB 3.36Å; I51-Y54 PolarHBondContact O-N 2.9Å; I51-L56 HydrophobicContact CG2-CD1 4.48Å; I51-L56 HydrophobicContact CG2-CD2 3.79Å; I51-L56 HydrophobicContact CG2-CG 4.21Å; I51-I82 HydrophobicContact CG2-CD1 4.4Å; I51-I121 HydrophobicContact CD1-CG2 4.09Å; I51-I121 HydrophobicContact CG1-CD1 4.3Å; I51-I121 HydrophobicContact CG1-CG2 3.88Å; I51-T123 HydrophobicContact CD1-CG2 3.9Å; I51-Y128 HydrophobicContact CB-CE1 4.33Å; I51-Y128 HydrophobicContact CD1-CE2 4.25Å; I51-Y128 HydrophobicContact CG1-CD1 4.25Å; I51-Y128 HydrophobicContact CG1-CD2 4.31Å; I51-Y128 HydrophobicContact CG1-CE1 4.22Å; I51-Y128 HydrophobicContact CG1-CE2 4.3Å; I51-Y128 HydrophobicContact CG1-CG 4.32Å; I51-Y128 HydrophobicContact CG2-CD1 4.11Å; I51-Y128 HydrophobicContact CG2-CE1 4.3Å
52	R	86	Confident	79.8	Confident	106 Å²	106	62.1 Å²	62.1	40%	0.4	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	-120.8	-170.5	-62.5	-171.1	175.9	167.3	-0.5	111.9	R50 Y54 E119 I121	R50-R52 WeakPolarHBondContact CD-O 3.3Å; R50-R52 WeakPolarHBondContact CG-O 3.44Å; R52-Y54 VanDerWaalsContact C-N 3.32Å; R52-E119 IonicContact CZ-OE1 3.82Å; R52-E119 IonicContact NH1-OE1 3.81Å; R52-E119 PolarHBondContact NH1-OE1 3.3Å; R52-I121 HydrophobicContact CB-CD1 4.21Å; R52-I121 HydrophobicContact CG-CD1 4.15Å; R52-I121 HydrophobicContact CG-CG2 4.07Å
53	L	87.1	Confident	80.8	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.037	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	13.9	178.7	-64.7	179.2	0	0	0	113.4	Y27 L31 L34 I51 H73 I74 L75	Y27-L53 HydrophobicContact CD2-CD1 4.15Å; Y27-L53 HydrophobicContact CE2-CD1 3.43Å; Y27-L53 VanDerWaalsContact CE2-CD1 3.43Å; Y27-L53 HydrophobicContact CE2-CG 4.19Å; L31-L53 HydrophobicContact CD2-CD2 3.5Å; L31-L53 VanDerWaalsContact CD2-CD2 3.5Å; L31-L53 HydrophobicContact CD2-CG 4.11Å; L31-L53 HydrophobicContact CG-CD2 4.24Å; L34-L53 HydrophobicContact CD1-CD2 3.56Å; I51-L53 PolarHBondContact O-N 3.25Å; L53-H73 CarbonylContact O-C 3.6Å; L53-I74 WeakPolarHBondContact O-CB 3.49Å; L53-I74 VanDerWaalsContact O-CG1 3.25Å; L53-I74 WeakPolarHBondContact O-CG1 3.12Å; L53-I74 PolarHBondContact O-N 3.16Å; L53-L75 HydrophobicContact CD1-CD1 3.62Å; L53-L75 HydrophobicContact CD1-CG 4.15Å; L53-L75 HydrophobicContact CD2-CD1 4.25Å; L53-L75 HydrophobicContact CD2-CG 4.25Å
54	Y	90.1	Very high	81.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.5	-178.4	-59.8	-85.8	0	0	0	111.3	R50 I51 R52 V72 H73 V80 I82 E119 I121 V130 A347	R50-Y54 CarbonylContact C-O 3.57Å; R50-Y54 WeakPolarHBondContact CA-O 3.36Å; R50-Y54 VanDerWaalsContact CG-O 3.3Å; R50-Y54 WeakPolarHBondContact CG-O 3.3Å; I51-Y54 PolarHBondContact N-O 3.19Å; I51-Y54 WeakPolarHBondContact O-CA 3.25Å; I51-Y54 WeakPolarHBondContact O-CB 3.36Å; I51-Y54 PolarHBondContact O-N 2.9Å; R52-Y54 VanDerWaalsContact C-N 3.32Å; Y54-V72 WeakPolarHBondContact CA-O 3.39Å; Y54-H73 HydrophobicContact CD1-CB 3.95Å; Y54-H73 HydrophobicContact CE1-CB 3.7Å; Y54-H73 AromaticContact CE1-CD2 3.57Å; Y54-H73 AromaticContact CE1-CG 3.96Å; Y54-H73 AromaticContact CZ-CD2 3.61Å; Y54-V80 HydrophobicContact CD1-CG2 3.68Å; Y54-V80 HydrophobicContact CE1-CG1 4.34Å; Y54-V80 HydrophobicContact CE1-CG2 3.88Å; Y54-I82 HydrophobicContact CD1-CD1 4.04Å; Y54-I82 HydrophobicContact CG-CD1 3.81Å; Y54-E119 WeakPolarHBondContact CE2-OE2 3.29Å; Y54-E119 PolarHBondContact OH-OE2 3.01Å; Y54-I121 HydrophobicContact CD2-CD1 3.8Å; Y54-I121 HydrophobicContact CE2-CD1 3.9Å; Y54-V130 HydrophobicContact CD1-CG1 4.2Å; Y54-V130 HydrophobicContact CD2-CG2 4.25Å; Y54-V130 HydrophobicContact CE1-CG1 3.48Å; Y54-V130 VanDerWaalsContact CE1-CG1 3.48Å; Y54-V130 HydrophobicContact CE1-CG2 4.44Å; Y54-V130 HydrophobicContact CE2-CG1 4.3Å; Y54-V130 HydrophobicContact CE2-CG2 3.86Å; Y54-A347 WeakPolarHBondContact OH-CB 3.35Å
55	Q	91.7	Very high	82.9	Confident	55 Å²	55	67 Å²	67	26%	0.257	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.9	168.3	177.7	167.3	18.3	0	0	108.6	I44 S71 V72 I74	I44-Q55 HydrophobicContact CG1-CG 4.41Å; I44-Q55 HydrophobicContact CG2-CB 4.42Å; I44-Q55 HydrophobicContact CG2-CG 4.1Å; Q55-S71 CarbonylContact O-C 3.59Å; Q55-S71 WeakPolarHBondContact O-CA 3.49Å; Q55-S71 WeakPolarHBondContact O-CB 3.4Å; Q55-V72 PolarHBondContact N-O 2.9Å; Q55-V72 PolarHBondContact O-N 2.86Å; Q55-I74 HydrophobicContact CB-CG1 4.28Å
56	L	92.3	Very high	84.5	Confident	15 Å²	15	63.8 Å²	63.8	8%	0.079	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.1	-179.5	-61.1	-179.2	0	0	0	109.6	A47 G48 G49 I51 K69 I82 I84	A47-L56 VanDerWaalsContact O-O 3.09Å; G48-L56 CarbonylContact C-O 3.54Å; G48-L56 WeakPolarHBondContact CA-O 3.49Å; G49-L56 WeakPolarHBondContact O-CB 3.47Å; G49-L56 PolarHBondContact O-N 3.02Å; I51-L56 HydrophobicContact CG2-CD1 4.48Å; I51-L56 HydrophobicContact CG2-CD2 3.79Å; I51-L56 HydrophobicContact CG2-CG 4.21Å; L56-K69 HydrophobicContact CB-CD 4.1Å; L56-I82 HydrophobicContact CD2-CD1 3.89Å; L56-I84 HydrophobicContact CD1-CD1 4.42Å
57	G	92.2	Very high	86.1	Confident	20 Å²	20	61.3 Å²	61.3	21%	0.206	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-144.5	176.2	0	0	0	0	0	112.9	K69 K70	G57-K69 WeakPolarHBondContact O-CD 3.45Å; G57-K69 PolarHBondContact O-NZ 2.85Å; G57-K70 CarbonylContact C-O 3.38Å; G57-K70 WeakPolarHBondContact CA-O 3.2Å; G57-K70 PolarHBondContact N-O 2.76Å
58	E	92.6	Very high	87.9	Confident	115 Å²	115	60.5 Å²	60.5	54%	0.537	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	153.9	-177.5	72.2	-79.9	177.8	0	0	113.6	I60 K69 K70	E58-I60 HydrophobicContact CG-CG2 4.25Å; E58-K69 CarbonylContact O-C 3.47Å; E58-K69 VanDerWaalsContact O-CA 3.23Å; E58-K69 WeakPolarHBondContact O-CA 3.06Å; E58-K70 PolarHBondContact O-N 3.41Å; E58-K70 WeakPolarHBondContact OE1-CD 3.2Å
59	Q	93.5	Very high	89.2	Confident	97 Å²	97	60.8 Å²	60.8	45%	0.453	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	123.1	173.2	-173.2	179.1	-56.8	0	0	109.9	G61 V68	Q59-G61 VanDerWaalsContact CG-O 3.26Å; Q59-G61 WeakPolarHBondContact CG-O 2.9Å; Q59-V68 CarbonylContact C-O 3.58Å; Q59-V68 WeakPolarHBondContact CA-O 3.21Å
60	I	92.3	Very high	89.8	Confident	80 Å²	80	62.4 Å²	62.4	41%	0.41	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-12.1	178.7	59.3	173	0	0	0	112.9	E58 V68 K70 A81 L133	E58-I60 HydrophobicContact CG-CG2 4.25Å; I60-V68 HydrophobicContact CD1-CG1 3.98Å; I60-V68 HydrophobicContact CG1-CB 4.21Å; I60-V68 HydrophobicContact CG1-CG1 3.8Å; I60-V68 WeakPolarHBondContact CG1-O 3.43Å; I60-V68 PolarHBondContact N-O 2.82Å; I60-K70 HydrophobicContact CD1-CB 4.34Å; I60-K70 HydrophobicContact CG2-CB 3.82Å; I60-A81 HydrophobicContact CD1-CB 4.29Å; I60-L133 HydrophobicContact CD1-CD1 3.78Å
61	G	89.7	Confident	90.2	Very high	24 Å²	24	59 Å²	59	25%	0.247	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	163	176.8	0	0	0	0	0	112.7	Q59 V68	Q59-G61 VanDerWaalsContact CG-O 3.26Å; Q59-G61 WeakPolarHBondContact CG-O 2.9Å; G61-V68 PolarHBondContact N-O 2.71Å; G61-V68 VanDerWaalsContact N-O 3.16Å; G61-V68 PolarHBondContact O-N 2.95Å
62	S	89.3	Confident	90.5	Very high	91 Å²	91	59.9 Å²	59.9	64%	0.636	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.8	137.2	175	50.9	0	0	0	0	110.2
63	G	81.8	Confident	90.6	Very high	45 Å²	45	55.2 Å²	55.2	46%	0.464	29%	0.287	S	S	.	.			trans	-114.8	-172.5	168.8	0	0	0	0	0	111.1	Y65 S66	G63-Y65 VanDerWaalsContact C-N 3.34Å; G63-Y65 PolarHBondContact O-N 2.85Å; G63-S66 PolarHBondContact N-O 2.89Å
64	R	79.8	Confident	90.4	Very high	207 Å²	207	55.4 Å²	55.4	78%	0.781	29%	0.288	S	S	*	.	S	Bend	trans	-59.6	-41.7	-177.8	-170.7	177.8	178.5	-180	-4	113.2
65	Y	84.1	Confident	90.1	Very high	83 Å²	83	59.4 Å²	59.4	33%	0.325	31%	0.308	S	S	.	.	S	Bend	trans	-125.8	13.9	-176.4	-48.7	-58.5	0	0	0	112.5	G63 D86 Q89 L90	G63-Y65 VanDerWaalsContact C-N 3.34Å; G63-Y65 PolarHBondContact O-N 2.85Å; Y65-D86 PolarHBondContact O-N 3.27Å; Y65-D86 VanDerWaalsContact O-N 3.16Å; Y65-Q89 HydrophobicContact CD1-CB 3.98Å; Y65-L90 HydrophobicContact CD2-CD2 4.06Å; Y65-L90 HydrophobicContact CG-CD2 4.26Å
66	S	90.7	Very high	89.7	Confident	22 Å²	22	59.4 Å²	59.4	15%	0.154	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.3	-171.7	65.7	0	0	0	0	113.5	G63 I84	G63-S66 PolarHBondContact N-O 2.89Å; S66-I84 CarbonylContact C-O 3.4Å; S66-I84 WeakPolarHBondContact CA-O 3.23Å; S66-I84 VanDerWaalsContact CB-O 3.29Å; S66-I84 WeakPolarHBondContact CB-O 3.26Å
67	K	93.7	Very high	89.4	Confident	117 Å²	117	65.3 Å²	65.3	51%	0.509	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.9	174.1	-65.4	175.8	-179.8	-177.9	0	108.5	I84	K67-I84 PolarHBondContact N-O 3.21Å; K67-I84 PolarHBondContact O-N 3.44Å
68	V	95.2	Very high	89.3	Confident	35 Å²	35	66.1 Å²	66.1	21%	0.212	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.4	175.2	-172.6	0	0	0	0	108.4	Q59 I60 G61 A81 I82 K83	Q59-V68 CarbonylContact C-O 3.58Å; Q59-V68 WeakPolarHBondContact CA-O 3.21Å; I60-V68 HydrophobicContact CD1-CG1 3.98Å; I60-V68 HydrophobicContact CG1-CB 4.21Å; I60-V68 HydrophobicContact CG1-CG1 3.8Å; I60-V68 WeakPolarHBondContact CG1-O 3.43Å; I60-V68 PolarHBondContact N-O 2.82Å; G61-V68 PolarHBondContact N-O 2.71Å; G61-V68 VanDerWaalsContact N-O 3.16Å; G61-V68 PolarHBondContact O-N 2.95Å; V68-A81 HydrophobicContact CG1-CB 4.11Å; V68-I82 WeakPolarHBondContact CA-O 3.21Å; V68-K83 HydrophobicContact CG2-CB 4.22Å; V68-K83 HydrophobicContact CG2-CG 4.21Å
69	K	95.5	Very high	89.3	Confident	43 Å²	43	64.7 Å²	64.7	19%	0.187	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.6	177.3	-72.7	-169.1	163.1	-152.5	0	111.6	L56 G57 E58 S71 I82 I84	L56-K69 HydrophobicContact CB-CD 4.1Å; G57-K69 WeakPolarHBondContact O-CD 3.45Å; G57-K69 PolarHBondContact O-NZ 2.85Å; E58-K69 CarbonylContact O-C 3.47Å; E58-K69 VanDerWaalsContact O-CA 3.23Å; E58-K69 WeakPolarHBondContact O-CA 3.06Å; K69-S71 PolarHBondContact O-N 3.44Å; K69-S71 PolarHBondContact O-OG 2.82Å; K69-I82 PolarHBondContact N-O 3.42Å; K69-I82 PolarHBondContact O-N 3.34Å; K69-I84 HydrophobicContact CD-CD1 3.96Å; K69-I84 HydrophobicContact CG-CD1 4.18Å
70	K	95.4	Very high	89.4	Confident	53 Å²	53	60.1 Å²	60.1	23%	0.23	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.9	162.3	-172.1	-179.6	179.7	-174.6	0	107.4	G57 E58 I60 E79 L133	G57-K70 CarbonylContact C-O 3.38Å; G57-K70 WeakPolarHBondContact CA-O 3.2Å; G57-K70 PolarHBondContact N-O 2.76Å; E58-K70 PolarHBondContact O-N 3.41Å; E58-K70 WeakPolarHBondContact OE1-CD 3.2Å; I60-K70 HydrophobicContact CD1-CB 4.34Å; I60-K70 HydrophobicContact CG2-CB 3.82Å; K70-E79 WeakPolarHBondContact CE-OE1 3.4Å; K70-E79 WeakPolarHBondContact CE-OE2 3.43Å; K70-E79 VanDerWaalsContact NZ-CD 3.25Å; K70-E79 IonicContact NZ-OE1 2.88Å; K70-E79 PolarHBondContact NZ-OE1 2.93Å; K70-E79 IonicContact NZ-OE2 3.26Å; K70-E79 PolarHBondContact NZ-OE2 2.88Å; K70-E79 VanDerWaalsContact NZ-OE2 3.16Å; K70-L133 HydrophobicContact CD-CD2 4.07Å; K70-L133 HydrophobicContact CG-CD1 4.48Å; K70-L133 HydrophobicContact CG-CD2 3.83Å
71	S	94.8	Very high	89.6	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.007	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	164.2	-173.8	-53.8	0	0	0	0	109.6	Q55 K69 E79 V80	Q55-S71 CarbonylContact O-C 3.59Å; Q55-S71 WeakPolarHBondContact O-CA 3.49Å; Q55-S71 WeakPolarHBondContact O-CB 3.4Å; K69-S71 PolarHBondContact O-N 3.44Å; K69-S71 PolarHBondContact O-OG 2.82Å; S71-E79 CarbonylContact O-C 3.55Å; S71-E79 WeakPolarHBondContact O-CA 3.15Å; S71-V80 PolarHBondContact N-O 3.19Å; S71-V80 PolarHBondContact O-N 2.81Å
72	V	91.9	Very high	89.9	Confident	41 Å²	41	55.6 Å²	55.6	25%	0.248	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.3	-179.2	-178.9	0	0	0	0	109.7	Y54 Q55 I74 E78 E79	Y54-V72 WeakPolarHBondContact CA-O 3.39Å; Q55-V72 PolarHBondContact N-O 2.9Å; Q55-V72 PolarHBondContact O-N 2.86Å; V72-I74 PolarHBondContact O-N 3.21Å; V72-E78 WeakPolarHBondContact CA-O 3.45Å; V72-E79 HydrophobicContact CG2-CG 4.38Å
73	H	87.9	Confident	90.2	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	119.5	169.5	-176	-111	0	0	0	109.6	L53 Y54 L75 T76 K77 E78 I351	L53-H73 CarbonylContact O-C 3.6Å; Y54-H73 HydrophobicContact CD1-CB 3.95Å; Y54-H73 HydrophobicContact CE1-CB 3.7Å; Y54-H73 AromaticContact CE1-CD2 3.57Å; Y54-H73 AromaticContact CE1-CG 3.96Å; Y54-H73 AromaticContact CZ-CD2 3.61Å; H73-L75 VanDerWaalsContact C-N 3.3Å; H73-L75 PolarHBondContact O-N 3.32Å; H73-T76 WeakPolarHBondContact ND1-CG2 3.46Å; H73-T76 PolarHBondContact ND1-N 2.84Å; H73-T76 PolarHBondContact ND1-OG1 2.77Å; H73-K77 WeakPolarHBondContact O-CA 3.48Å; H73-K77 PolarHBondContact O-N 3.15Å; H73-E78 PolarHBondContact N-O 3.42Å; H73-I351 HydrophobicContact CB-CD1 4.24Å
74	I	84.6	Confident	90.8	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.062	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-35.8	-166	-68.1	167.6	0	0	0	112.2	L34 I44 R50 L53 Q55 V72 K77	L34-I74 HydrophobicContact CD1-CG2 3.89Å; L34-I74 HydrophobicContact CD2-CG2 3.61Å; L34-I74 HydrophobicContact CG-CG2 4.43Å; I44-I74 HydrophobicContact CD1-CD1 4.06Å; R50-I74 HydrophobicContact CG-CD1 3.98Å; L53-I74 WeakPolarHBondContact O-CB 3.49Å; L53-I74 VanDerWaalsContact O-CG1 3.25Å; L53-I74 WeakPolarHBondContact O-CG1 3.12Å; L53-I74 PolarHBondContact O-N 3.16Å; Q55-I74 HydrophobicContact CB-CG1 4.28Å; V72-I74 PolarHBondContact O-N 3.21Å; I74-K77 WeakPolarHBondContact O-CD 3.5Å; I74-K77 VanDerWaalsContact O-CE 3.27Å; I74-K77 WeakPolarHBondContact O-CE 3.41Å; I74-K77 PolarHBondContact O-NZ 3.43Å
75	L	83.4	Confident	91.4	Very high	83 Å²	83	41.2 Å²	41.2	44%	0.435	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-45.6	-175.4	-55	-175.7	0	0	0	112.7	V30 L34 L53 H73	V30-L75 HydrophobicContact CG1-CD1 3.7Å; V30-L75 HydrophobicContact CG1-CD2 3.28Å; V30-L75 HydrophobicContact CG1-CG 4.1Å; L34-L75 HydrophobicContact CD1-CD2 4.04Å; L53-L75 HydrophobicContact CD1-CD1 3.62Å; L53-L75 HydrophobicContact CD1-CG 4.15Å; L53-L75 HydrophobicContact CD2-CD1 4.25Å; L53-L75 HydrophobicContact CD2-CG 4.25Å; H73-L75 VanDerWaalsContact C-N 3.3Å; H73-L75 PolarHBondContact O-N 3.32Å
76	T	82.5	Confident	91.6	Very high	55 Å²	55	39 Å²	39	34%	0.337	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.1	-177	61.5	0	0	0	0	112.6	H73 E78 I351	H73-T76 WeakPolarHBondContact ND1-CG2 3.46Å; H73-T76 PolarHBondContact ND1-N 2.84Å; H73-T76 PolarHBondContact ND1-OG1 2.77Å; T76-E78 PolarHBondContact O-N 2.81Å; T76-E78 VanDerWaalsContact O-N 3.16Å; T76-E78 WeakPolarHBondContact OG1-CB 3.42Å; T76-E78 PolarHBondContact OG1-N 3.45Å; T76-I351 HydrophobicContact CG2-CG2 4.38Å
77	K	87	Confident	91.3	Very high	139 Å²	139	42 Å²	42	60%	0.604	20%	0.202	S	C	*	.			trans	59.8	14.2	-171.3	-53.4	-56.2	-175.2	-165.3	0	114.4	H73 I74	H73-K77 WeakPolarHBondContact O-CA 3.48Å; H73-K77 PolarHBondContact O-N 3.15Å; I74-K77 WeakPolarHBondContact O-CD 3.5Å; I74-K77 VanDerWaalsContact O-CE 3.27Å; I74-K77 WeakPolarHBondContact O-CE 3.41Å; I74-K77 PolarHBondContact O-NZ 3.43Å
78	E	88.4	Confident	90.7	Very high	37 Å²	37	40.1 Å²	40.1	17%	0.173	20%	0.197	C	C	.	.			trans	-75.9	137.6	178.3	-70.2	-66	147.8	0	0	111	V72 H73 T76 I351 L355 R358	V72-E78 WeakPolarHBondContact CA-O 3.45Å; H73-E78 PolarHBondContact N-O 3.42Å; T76-E78 PolarHBondContact O-N 2.81Å; T76-E78 VanDerWaalsContact O-N 3.16Å; T76-E78 WeakPolarHBondContact OG1-CB 3.42Å; T76-E78 PolarHBondContact OG1-N 3.45Å; E78-I351 HydrophobicContact CB-CG2 4.28Å; E78-I351 HydrophobicContact CG-CG2 3.76Å; E78-L355 WeakPolarHBondContact OE1-CD2 3.31Å; E78-R358 IonicContact OE2-NH1 3.89Å; E78-R358 PolarHBondContact OE2-NH1 3.16Å; E78-R358 VanDerWaalsContact OE2-NH1 3.15Å
79	E	93.9	Very high	89.9	Confident	85 Å²	85	42.9 Å²	42.9	40%	0.397	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.9	174.2	-55.4	-170.4	132.2	0	0	110.7	K70 S71 V72 L133	K70-E79 WeakPolarHBondContact CE-OE1 3.4Å; K70-E79 WeakPolarHBondContact CE-OE2 3.43Å; K70-E79 VanDerWaalsContact NZ-CD 3.25Å; K70-E79 IonicContact NZ-OE1 2.88Å; K70-E79 PolarHBondContact NZ-OE1 2.93Å; K70-E79 IonicContact NZ-OE2 3.26Å; K70-E79 PolarHBondContact NZ-OE2 2.88Å; K70-E79 VanDerWaalsContact NZ-OE2 3.16Å; S71-E79 CarbonylContact O-C 3.55Å; S71-E79 WeakPolarHBondContact O-CA 3.15Å; V72-E79 HydrophobicContact CG2-CG 4.38Å; E79-L133 HydrophobicContact CB-CD2 3.63Å
80	V	95.5	Very high	89.1	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	158.7	-179.2	-62.7	0	0	0	0	110.4	Y54 S71 I82 F118 V130 L131	Y54-V80 HydrophobicContact CD1-CG2 3.68Å; Y54-V80 HydrophobicContact CE1-CG1 4.34Å; Y54-V80 HydrophobicContact CE1-CG2 3.88Å; S71-V80 PolarHBondContact N-O 3.19Å; S71-V80 PolarHBondContact O-N 2.81Å; V80-I82 HydrophobicContact CG2-CD1 4.16Å; V80-I82 HydrophobicContact CG2-CG1 3.95Å; V80-F118 HydrophobicContact CG1-CD2 4.1Å; V80-F118 HydrophobicContact CG1-CE2 4.08Å; V80-V130 HydrophobicContact CB-CG1 4.03Å; V80-V130 HydrophobicContact CG1-CG1 4.15Å; V80-V130 HydrophobicContact CG2-CG1 3.97Å; V80-L131 WeakPolarHBondContact CB-O 3.48Å
81	A	96.6	Very high	88	Confident	9 Å²	9	45.7 Å²	45.7	7%	0.074	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.2	168.2	0	0	0	0	0	108.5	I60 V68 L131 L133	I60-A81 HydrophobicContact CD1-CB 4.29Å; V68-A81 HydrophobicContact CG1-CB 4.11Å; A81-L131 HydrophobicContact CB-CB 4.44Å; A81-L131 PolarHBondContact N-O 2.81Å; A81-L131 WeakPolarHBondContact O-CA 3.44Å; A81-L131 WeakPolarHBondContact O-CB 3.4Å; A81-L131 PolarHBondContact O-N 3.01Å; A81-L133 HydrophobicContact CB-CB 4.49Å; A81-L133 HydrophobicContact CB-CD1 3.96Å
82	I	96.3	Very high	86.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.7	178	-58.7	-175.2	0	0	0	109.1	I51 Y54 L56 V68 K69 V80 I84 Y128 L129 V130	I51-I82 HydrophobicContact CG2-CD1 4.4Å; Y54-I82 HydrophobicContact CD1-CD1 4.04Å; Y54-I82 HydrophobicContact CG-CD1 3.81Å; L56-I82 HydrophobicContact CD2-CD1 3.89Å; V68-I82 WeakPolarHBondContact CA-O 3.21Å; K69-I82 PolarHBondContact N-O 3.42Å; K69-I82 PolarHBondContact O-N 3.34Å; V80-I82 HydrophobicContact CG2-CD1 4.16Å; V80-I82 HydrophobicContact CG2-CG1 3.95Å; I82-I84 HydrophobicContact CG2-CG1 4Å; I82-Y128 HydrophobicContact CG2-CD1 3.93Å; I82-Y128 HydrophobicContact CG2-CG 4.46Å; I82-L129 WeakPolarHBondContact CA-O 3.25Å; I82-V130 HydrophobicContact CD1-CG2 4.34Å; I82-V130 HydrophobicContact CG1-CG1 4.4Å; I82-V130 HydrophobicContact CG1-CG2 4.39Å
83	K	95.5	Very high	85.7	Confident	18 Å²	18	56.7 Å²	56.7	8%	0.078	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	109.9	171.9	-176.4	173.8	174.9	-176.2	0	108.2	V68 I85 E102 Y128 L129 L131 D195	V68-K83 HydrophobicContact CG2-CB 4.22Å; V68-K83 HydrophobicContact CG2-CG 4.21Å; K83-I85 HydrophobicContact CG-CG1 4.26Å; K83-E102 IonicContact NZ-OE1 2.8Å; K83-E102 PolarHBondContact NZ-OE1 3.49Å; K83-E102 IonicContact NZ-OE2 3.76Å; K83-E102 PolarHBondContact NZ-OE2 3.19Å; K83-Y128 WeakPolarHBondContact O-CA 2.97Å; K83-L129 HydrophobicContact CB-CB 4.25Å; K83-L129 HydrophobicContact CD-CD1 4.44Å; K83-L129 PolarHBondContact N-O 3.48Å; K83-L129 PolarHBondContact O-N 3.25Å; K83-L131 HydrophobicContact CB-CD1 4.07Å; K83-D195 IonicContact NZ-OD1 3.1Å; K83-D195 PolarHBondContact NZ-OD1 3.41Å
84	I	94.6	Very high	85.2	Confident	18 Å²	18	62 Å²	62	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.6	-177.8	-49.7	176.1	0	0	0	107.7	L56 S66 K67 K69 I82 R126 Y128	L56-I84 HydrophobicContact CD1-CD1 4.42Å; S66-I84 CarbonylContact C-O 3.4Å; S66-I84 WeakPolarHBondContact CA-O 3.23Å; S66-I84 VanDerWaalsContact CB-O 3.29Å; S66-I84 WeakPolarHBondContact CB-O 3.26Å; K67-I84 PolarHBondContact N-O 3.21Å; K67-I84 PolarHBondContact O-N 3.44Å; K69-I84 HydrophobicContact CD-CD1 3.96Å; K69-I84 HydrophobicContact CG-CD1 4.18Å; I82-I84 HydrophobicContact CG2-CG1 4Å; I84-R126 HydrophobicContact CG2-CB 4.41Å; I84-R126 HydrophobicContact CG2-CG 4.35Å; I84-Y128 HydrophobicContact CB-CD1 4.31Å; I84-Y128 HydrophobicContact CB-CE1 4.43Å; I84-Y128 HydrophobicContact CD1-CD1 4.25Å; I84-Y128 HydrophobicContact CD1-CE1 4.05Å; I84-Y128 HydrophobicContact CG1-CD1 3.73Å; I84-Y128 HydrophobicContact CG1-CE1 3.96Å; I84-Y128 HydrophobicContact CG2-CD1 4Å; I84-Y128 HydrophobicContact CG2-CE1 3.74Å
85	I	91.9	Very high	85.1	Confident	5 Å²	5	62 Å²	62	3%	0.026	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.9	-176.1	-54.1	172.4	0	0	0	108.3	K83 L90 T99 R126 T127 L129	K83-I85 HydrophobicContact CG-CG1 4.26Å; I85-L90 HydrophobicContact CG2-CD1 3.62Å; I85-L90 HydrophobicContact CG2-CG 4.34Å; I85-T99 HydrophobicContact CD1-CG2 3.67Å; I85-T99 HydrophobicContact CG2-CG2 4.5Å; I85-R126 VanDerWaalsContact O-CA 3.23Å; I85-R126 WeakPolarHBondContact O-CA 3.45Å; I85-T127 PolarHBondContact N-O 3.19Å; I85-T127 PolarHBondContact O-N 3.45Å; I85-L129 HydrophobicContact CD1-CD1 4.13Å; I85-L129 HydrophobicContact CD1-CG 4.31Å
86	D	88.7	Confident	85.1	Confident	38 Å²	38	63.1 Å²	63.1	20%	0.203	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	111.9	179.3	-171.1	-29.9	0	0	0	110.4	Y65 D88 Q89 L90	Y65-D86 PolarHBondContact O-N 3.27Å; Y65-D86 VanDerWaalsContact O-N 3.16Å; D86-D88 VanDerWaalsContact C-N 3.32Å; D86-D88 PolarHBondContact O-N 2.67Å; D86-D88 PolarHBondContact OD1-N 2.86Å; D86-Q89 HydrophobicContact CB-CB 4.28Å; D86-Q89 HydrophobicContact CB-CG 4.05Å; D86-Q89 PolarHBondContact O-N 3.35Å; D86-Q89 PolarHBondContact OD1-N 3.04Å; D86-Q89 PolarHBondContact OD2-NE2 3.16Å; D86-L90 WeakPolarHBondContact O-CG 3.47Å
87	R	84.6	Confident	85.3	Confident	84 Å²	84	67.6 Å²	67.6	32%	0.317	33%	0.327	S	S	.	.	S	Bend	trans	-70.7	-28.9	-176.6	-62.8	-171.1	70.6	-135.5	1.4	112.3	Q89 L90 K91 E96 L124 P125	R87-Q89 VanDerWaalsContact C-N 3.28Å; R87-Q89 PolarHBondContact O-N 2.89Å; R87-L90 PolarHBondContact O-N 3.05Å; R87-L90 VanDerWaalsContact O-N 3.14Å; R87-K91 PolarHBondContact O-N 2.87Å; R87-E96 IonicContact CZ-OE1 3.16Å; R87-E96 IonicContact NH2-OE1 2.71Å; R87-E96 PolarHBondContact NH2-OE1 2.78Å; R87-L124 PolarHBondContact NH1-O 3.37Å; R87-P125 WeakPolarHBondContact CB-O 3.47Å; R87-P125 PolarHBondContact N-O 3.34Å
88	D	81.3	Confident	85.2	Confident	78 Å²	78	64 Å²	64	42%	0.417	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-69	-32.4	179.9	-71.1	-36.2	0	0	0	111.3	D86 L90 K91	D86-D88 VanDerWaalsContact C-N 3.32Å; D86-D88 PolarHBondContact O-N 2.67Å; D86-D88 PolarHBondContact OD1-N 2.86Å; D88-L90 PolarHBondContact O-N 3.4Å; D88-K91 WeakPolarHBondContact OD1-CE 3.5Å; D88-K91 IonicContact OD1-NZ 3.15Å; D88-K91 PolarHBondContact OD1-NZ 3.42Å
89	Q	77.7	Confident	85.2	Confident	92 Å²	92	62.9 Å²	62.9	43%	0.43	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-73.4	-16.1	174.7	-62.6	-176.7	35.5	0	0	113.3	Y65 D86 R87	Y65-Q89 HydrophobicContact CD1-CB 3.98Å; D86-Q89 HydrophobicContact CB-CB 4.28Å; D86-Q89 HydrophobicContact CB-CG 4.05Å; D86-Q89 PolarHBondContact O-N 3.35Å; D86-Q89 PolarHBondContact OD1-N 3.04Å; D86-Q89 PolarHBondContact OD2-NE2 3.16Å; R87-Q89 VanDerWaalsContact C-N 3.28Å; R87-Q89 PolarHBondContact O-N 2.89Å
90	L	77.6	Confident	85.1	Confident	12 Å²	12	62.7 Å²	62.7	6%	0.063	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-92.6	-14.3	179.4	-60.7	178.1	0	0	0	113.9	Y65 I85 D86 R87 D88 Y92 T99	Y65-L90 HydrophobicContact CD2-CD2 4.06Å; Y65-L90 HydrophobicContact CG-CD2 4.26Å; I85-L90 HydrophobicContact CG2-CD1 3.62Å; I85-L90 HydrophobicContact CG2-CG 4.34Å; D86-L90 WeakPolarHBondContact O-CG 3.47Å; R87-L90 PolarHBondContact O-N 3.05Å; R87-L90 VanDerWaalsContact O-N 3.14Å; D88-L90 PolarHBondContact O-N 3.4Å; L90-Y92 PolarHBondContact O-N 3.48Å; L90-T99 VanDerWaalsContact CD1-OG1 3.24Å; L90-T99 WeakPolarHBondContact CD1-OG1 3.48Å
91	K	72.9	Confident	84.8	Confident	144 Å²	144	64.9 Å²	64.9	63%	0.626	32%	0.324	S	S	*	.	S	Bend	trans	-59.7	-27.9	-179.2	-74.9	175.4	175.6	164.7	0	113.2	R87 D88	R87-K91 PolarHBondContact O-N 2.87Å; D88-K91 WeakPolarHBondContact OD1-CE 3.5Å; D88-K91 IonicContact OD1-NZ 3.15Å; D88-K91 PolarHBondContact OD1-NZ 3.42Å
92	Y	68.2	Low	84.7	Confident	213 Å²	213	64.8 Å²	64.8	84%	0.835	32%	0.322	S	S	*	.	S	Bend	trans	-100	89	-179.5	-56.5	-78.2	0	0	0	109.5	L90	L90-Y92 PolarHBondContact O-N 3.48Å
93	G	70.1	Confident	84.5	Confident	59 Å²	59	65.4 Å²	65.4	61%	0.608	33%	0.325	S	S	*	.	S	Bend	trans	115.4	-158.5	174.4	0	0	0	0	0	114.2	G95	G93-G95 PolarHBondContact O-N 2.9Å
94	D	78.2	Confident	84.4	Confident	119 Å²	119	70.7 Å²	70.7	64%	0.636	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	8.1	-174.5	-66.7	-47.2	0	0	0	114.4	E96 K97 V98	D94-E96 VanDerWaalsContact C-N 3.35Å; D94-E96 PolarHBondContact O-N 3.15Å; D94-K97 PolarHBondContact O-N 3.19Å; D94-V98 HydrophobicContact CB-CG2 4.43Å; D94-V98 VanDerWaalsContact O-CG2 3.31Å; D94-V98 WeakPolarHBondContact O-CG2 3.39Å; D94-V98 PolarHBondContact O-N 3.32Å
95	G	81.5	Confident	84.4	Confident	14 Å²	14	69.8 Å²	69.8	14%	0.144	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-40.3	-171.2	0	0	0	0	0	114.2	G93 T99	G93-G95 PolarHBondContact O-N 2.9Å; G95-T99 WeakPolarHBondContact O-CB 3.06Å; G95-T99 PolarHBondContact O-N 3.45Å; G95-T99 PolarHBondContact O-OG1 3.25Å
96	E	84.3	Confident	84.5	Confident	106 Å²	106	69.8 Å²	69.8	50%	0.495	34%	0.34	S	S	.	.	H	α-helix	trans	-67.9	-43.2	177.9	-174.2	163.8	-137.2	0	0	111.4	R87 D94 V98 T99 L100	R87-E96 IonicContact CZ-OE1 3.16Å; R87-E96 IonicContact NH2-OE1 2.71Å; R87-E96 PolarHBondContact NH2-OE1 2.78Å; D94-E96 VanDerWaalsContact C-N 3.35Å; D94-E96 PolarHBondContact O-N 3.15Å; E96-V98 PolarHBondContact O-N 3.31Å; E96-T99 PolarHBondContact O-N 3.09Å; E96-L100 WeakPolarHBondContact O-CB 3.47Å; E96-L100 PolarHBondContact O-N 2.99Å
97	K	85.8	Confident	84.6	Confident	148 Å²	148	73.1 Å²	73.1	64%	0.643	36%	0.355	S	S	*	.	H	α-helix	trans	-61.4	-44	175.8	-176.6	-176.4	174.6	-170.2	0	111.5	D94 L100 Q101	D94-K97 PolarHBondContact O-N 3.19Å; K97-L100 PolarHBondContact O-N 3.15Å; K97-Q101 WeakPolarHBondContact O-CB 3.37Å; K97-Q101 PolarHBondContact O-N 2.88Å
98	V	86	Confident	84.9	Confident	64 Å²	64	73.6 Å²	73.6	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-44.2	176.9	171.8	0	0	0	0	111.1	D94 E96 Q101 E102 G197	D94-V98 HydrophobicContact CB-CG2 4.43Å; D94-V98 VanDerWaalsContact O-CG2 3.31Å; D94-V98 WeakPolarHBondContact O-CG2 3.39Å; D94-V98 PolarHBondContact O-N 3.32Å; E96-V98 PolarHBondContact O-N 3.31Å; V98-Q101 PolarHBondContact O-N 3.25Å; V98-E102 PolarHBondContact O-N 3.46Å; V98-G197 WeakPolarHBondContact CG1-O 3.31Å
99	T	88.3	Confident	85.4	Confident	14 Å²	14	69.9 Å²	69.9	9%	0.086	34%	0.341	C	S	.	.	H	α-helix	trans	-65	-43.6	178.6	-58.8	0	0	0	0	111.8	I85 L90 G95 E96 Q101 E102 I103	I85-T99 HydrophobicContact CD1-CG2 3.67Å; I85-T99 HydrophobicContact CG2-CG2 4.5Å; L90-T99 VanDerWaalsContact CD1-OG1 3.24Å; L90-T99 WeakPolarHBondContact CD1-OG1 3.48Å; G95-T99 WeakPolarHBondContact O-CB 3.06Å; G95-T99 PolarHBondContact O-N 3.45Å; G95-T99 PolarHBondContact O-OG1 3.25Å; E96-T99 PolarHBondContact O-N 3.09Å; T99-Q101 VanDerWaalsContact C-N 3.3Å; T99-Q101 PolarHBondContact O-N 3.15Å; T99-E102 PolarHBondContact O-N 2.9Å; T99-I103 HydrophobicContact CG2-CD1 4.15Å; T99-I103 WeakPolarHBondContact O-CG1 3.48Å; T99-I103 PolarHBondContact O-N 3.27Å
100	L	90.4	Very high	86	Confident	81 Å²	81	69 Å²	69	42%	0.424	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-37.4	176.8	-175.1	62.4	0	0	0	111.6	E96 K97 I103 R104	E96-L100 WeakPolarHBondContact O-CB 3.47Å; E96-L100 PolarHBondContact O-N 2.99Å; K97-L100 PolarHBondContact O-N 3.15Å; L100-I103 PolarHBondContact O-N 3.19Å; L100-R104 WeakPolarHBondContact O-CB 3.2Å; L100-R104 VanDerWaalsContact O-CG 3.26Å; L100-R104 WeakPolarHBondContact O-CG 3.35Å; L100-R104 PolarHBondContact O-N 3.08Å
101	Q	91.2	Very high	86.6	Confident	46 Å²	46	69 Å²	69	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-42.9	174.6	-175.1	60.9	52	0	0	111.9	K97 V98 T99 I103 R104 C105 S199	K97-Q101 WeakPolarHBondContact O-CB 3.37Å; K97-Q101 PolarHBondContact O-N 2.88Å; V98-Q101 PolarHBondContact O-N 3.25Å; T99-Q101 VanDerWaalsContact C-N 3.3Å; T99-Q101 PolarHBondContact O-N 3.15Å; Q101-I103 VanDerWaalsContact C-N 3.35Å; Q101-I103 PolarHBondContact O-N 3.24Å; Q101-R104 PolarHBondContact O-N 3.43Å; Q101-C105 PolarHBondContact NE2-SG 2.84Å; Q101-C105 PolarHBondContact O-N 2.86Å; Q101-C105 PolarHBondContact O-SG 2.77Å; Q101-C105 VanDerWaalsContact O-SG 3.36Å; Q101-S199 WeakPolarHBondContact CG-O 3.41Å
102	E	93.6	Very high	87.6	Confident	8 Å²	8	63 Å²	63	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-47.5	174.8	175.6	172.1	-165.5	0	0	111.1	K83 V98 T99 C105 L106 L129 F196	K83-E102 IonicContact NZ-OE1 2.8Å; K83-E102 PolarHBondContact NZ-OE1 3.49Å; K83-E102 IonicContact NZ-OE2 3.76Å; K83-E102 PolarHBondContact NZ-OE2 3.19Å; V98-E102 PolarHBondContact O-N 3.46Å; T99-E102 PolarHBondContact O-N 2.9Å; E102-C105 PolarHBondContact O-N 2.87Å; E102-L106 HydrophobicContact CG-CD1 3.86Å; E102-L106 WeakPolarHBondContact O-CB 3.38Å; E102-L106 WeakPolarHBondContact O-CG 3.38Å; E102-L106 PolarHBondContact O-N 2.81Å; E102-L129 HydrophobicContact CG-CD1 4.39Å; E102-F196 HydrophobicContact CG-CB 4.01Å
103	I	92.4	Very high	88.9	Confident	12 Å²	12	52.9 Å²	52.9	6%	0.062	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-51.3	178.3	-69.1	164	0	0	0	110.9	T99 L100 Q101 C105 L106 E107 V120 T127 L129	T99-I103 HydrophobicContact CG2-CD1 4.15Å; T99-I103 WeakPolarHBondContact O-CG1 3.48Å; T99-I103 PolarHBondContact O-N 3.27Å; L100-I103 PolarHBondContact O-N 3.19Å; Q101-I103 VanDerWaalsContact C-N 3.35Å; Q101-I103 PolarHBondContact O-N 3.24Å; I103-C105 VanDerWaalsContact C-N 3.33Å; I103-C105 PolarHBondContact O-N 3.31Å; I103-L106 PolarHBondContact O-N 3.05Å; I103-L106 VanDerWaalsContact O-N 3.07Å; I103-E107 HydrophobicContact CG2-CG 4.22Å; I103-E107 WeakPolarHBondContact O-CG 3.45Å; I103-E107 PolarHBondContact O-N 2.93Å; I103-V120 HydrophobicContact CD1-CG1 4.12Å; I103-V120 HydrophobicContact CG1-CG2 4.41Å; I103-V120 HydrophobicContact CG2-CG2 3.9Å; I103-T127 HydrophobicContact CD1-CG2 4.11Å; I103-L129 HydrophobicContact CD1-CD2 3.96Å; I103-L129 HydrophobicContact CG1-CD1 4.45Å; I103-L129 HydrophobicContact CG1-CD2 3.62Å
104	R	93.7	Very high	90.1	Very high	129 Å²	129	50.1 Å²	50.1	49%	0.487	25%	0.25	S	S	.	.	H	α-helix	trans	-56.2	-45.6	180	-74.7	172.1	178.3	-173.6	-0.6	112.3	L100 Q101	L100-R104 WeakPolarHBondContact O-CB 3.2Å; L100-R104 VanDerWaalsContact O-CG 3.26Å; L100-R104 WeakPolarHBondContact O-CG 3.35Å; L100-R104 PolarHBondContact O-N 3.08Å; Q101-R104 PolarHBondContact O-N 3.43Å
105	C	93.2	Very high	90.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-48.2	175.7	-72.7	0	0	0	0	111.1	Q101 E102 I103 E107 E108 I109 I173 F196 S199	Q101-C105 PolarHBondContact NE2-SG 2.84Å; Q101-C105 PolarHBondContact O-N 2.86Å; Q101-C105 PolarHBondContact O-SG 2.77Å; Q101-C105 VanDerWaalsContact O-SG 3.36Å; E102-C105 PolarHBondContact O-N 2.87Å; I103-C105 VanDerWaalsContact C-N 3.33Å; I103-C105 PolarHBondContact O-N 3.31Å; C105-E107 PolarHBondContact O-N 2.88Å; C105-E108 PolarHBondContact O-N 2.96Å; C105-I109 WeakPolarHBondContact O-CD1 3.32Å; C105-I109 WeakPolarHBondContact O-CG1 3.48Å; C105-I173 HydrophobicContact CB-CD1 4.39Å; C105-I173 HydrophobicContact CB-CG2 4.43Å; C105-F196 HydrophobicContact CB-CD1 4.49Å; C105-S199 WeakPolarHBondContact CB-OG 3.43Å; C105-S199 PolarHBondContact SG-OG 2.91Å
106	L	93.9	Very high	91.6	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-34.5	-176.1	-77	172.1	0	0	0	113.8	E102 I103 E108 I109 L117 L129 L131 F196	E102-L106 HydrophobicContact CG-CD1 3.86Å; E102-L106 WeakPolarHBondContact O-CB 3.38Å; E102-L106 WeakPolarHBondContact O-CG 3.38Å; E102-L106 PolarHBondContact O-N 2.81Å; I103-L106 PolarHBondContact O-N 3.05Å; I103-L106 VanDerWaalsContact O-N 3.07Å; L106-E108 VanDerWaalsContact C-N 3.26Å; L106-E108 PolarHBondContact O-N 3.49Å; L106-I109 PolarHBondContact O-N 3.49Å; L106-L117 HydrophobicContact CB-CB 3.92Å; L106-L117 HydrophobicContact CB-CD2 3.68Å; L106-L117 HydrophobicContact CB-CG 4.4Å; L106-L129 HydrophobicContact CD1-CD1 4.33Å; L106-L131 HydrophobicContact CD1-CD2 4.23Å; L106-F196 HydrophobicContact CD1-CB 4.48Å; L106-F196 HydrophobicContact CD2-CB 4.2Å; L106-F196 HydrophobicContact CD2-CD2 3.57Å; L106-F196 HydrophobicContact CD2-CE2 4.12Å; L106-F196 HydrophobicContact CD2-CG 3.87Å; L106-F196 HydrophobicContact CG-CB 4.09Å; L106-F196 HydrophobicContact CG-CD2 4.39Å; L106-F196 HydrophobicContact CG-CG 4.25Å
107	E	92.2	Very high	92	Very high	108 Å²	108	41.3 Å²	41.3	51%	0.505	20%	0.201	S	C	.	.	H	α-helix	trans	-61.5	-35.5	176.1	-73.4	176.8	146.8	0	0	112.1	I103 C105 I109 L117	I103-E107 HydrophobicContact CG2-CG 4.22Å; I103-E107 WeakPolarHBondContact O-CG 3.45Å; I103-E107 PolarHBondContact O-N 2.93Å; C105-E107 PolarHBondContact O-N 2.88Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 3.12Å; E107-L117 HydrophobicContact CG-CD2 3.94Å
108	E	90.2	Very high	92.3	Very high	93 Å²	93	34.6 Å²	34.6	44%	0.435	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.1	179.4	-74.9	-61.8	140.4	0	0	114.5	C105 L106 Y167 K171 I173	C105-E108 PolarHBondContact O-N 2.96Å; L106-E108 VanDerWaalsContact C-N 3.26Å; L106-E108 PolarHBondContact O-N 3.49Å; E108-Y167 PolarHBondContact O-OH 2.85Å; E108-K171 WeakPolarHBondContact O-CD 3.48Å; E108-K171 WeakPolarHBondContact O-CE 3.44Å; E108-K171 PolarHBondContact O-NZ 2.99Å; E108-K171 VanDerWaalsContact O-NZ 3.14Å; E108-K171 IonicContact OE2-NZ 3.4Å; E108-K171 PolarHBondContact OE2-NZ 2.78Å; E108-I173 HydrophobicContact CB-CD1 4.37Å
109	I	91.7	Very high	92.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.161	C	C	.	.			trans	-101.9	117.9	-169.8	-70	164.5	0	0	0	111.8	C105 L106 E107 V114 R116 Y167 L168 I173 F196	C105-I109 WeakPolarHBondContact O-CD1 3.32Å; C105-I109 WeakPolarHBondContact O-CG1 3.48Å; L106-I109 PolarHBondContact O-N 3.49Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 3.12Å; I109-V114 HydrophobicContact CG2-CB 3.79Å; I109-V114 HydrophobicContact CG2-CG1 3.55Å; I109-V114 HydrophobicContact CG2-CG2 4.32Å; I109-R116 PolarHBondContact O-NH1 3.47Å; I109-Y167 HydrophobicContact CB-CE1 4.45Å; I109-Y167 HydrophobicContact CG1-CE1 4.37Å; I109-Y167 HydrophobicContact CG2-CE1 4.11Å; I109-L168 HydrophobicContact CD1-CD2 3.41Å; I109-L168 VanDerWaalsContact CD1-CD2 3.41Å; I109-L168 HydrophobicContact CG1-CD2 3.66Å; I109-L168 HydrophobicContact CG2-CD2 4.49Å; I109-I173 HydrophobicContact CD1-CD1 4.04Å; I109-I173 HydrophobicContact CG1-CD1 3.91Å; I109-F196 HydrophobicContact CD1-CD1 3.86Å; I109-F196 HydrophobicContact CD1-CE1 3.38Å; I109-F196 HydrophobicContact CD1-CZ 3.83Å
110	C	90.5	Very high	92.8	Very high	72 Å²	72	34.2 Å²	34.2	49%	0.486	17%	0.167	S	C	.	.			trans	-134.5	87.2	170	-171.3	0	0	0	0	109.7	Y167	C110-Y167 PolarHBondContact N-OH 3.16Å
111	H	91	Very high	92.8	Very high	14 Å²	14	30.4 Å²	30.4	7%	0.065	15%	0.147	C	C	.	.			trans	-139.5	139.7	-178.2	-173.7	-93.3	0	0	0	110.9	N113 V114 Y167 W326	H111-N113 PolarHBondContact ND1-N 2.96Å; H111-N113 PolarHBondContact O-N 2.8Å; H111-V114 HydrophobicContact CB-CB 4.31Å; H111-V114 HydrophobicContact CB-CG2 4.04Å; H111-V114 PolarHBondContact O-N 2.85Å; H111-V114 VanDerWaalsContact O-N 3.09Å; H111-Y167 HydrophobicContact CB-CD1 3.69Å; H111-Y167 HydrophobicContact CB-CD2 4.32Å; H111-Y167 HydrophobicContact CB-CE1 3.86Å; H111-Y167 HydrophobicContact CB-CE2 4.43Å; H111-Y167 HydrophobicContact CB-CG 3.95Å; H111-Y167 AromaticContact CD2-CD2 3.79Å; H111-Y167 AromaticContact CD2-CG 3.59Å; H111-Y167 AromaticContact CG-CG 3.9Å; H111-W326 AromaticContact NE2-CD1 3.68Å; H111-W326 AromaticContact NE2-NE1 3.65Å
112	P	92.3	Very high	92.7	Very high	16 Å²	16	34 Å²	34	10%	0.104	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.2	-177.6	21	-33.3	0	0	0	113.7	K192 W326 F357	P112-K192 WeakPolarHBondContact O-CE 3.44Å; P112-K192 PolarHBondContact O-NZ 3.03Å; P112-W326 HydrophobicContact CB-CH2 4.44Å; P112-W326 HydrophobicContact CG-CD2 4.37Å; P112-W326 HydrophobicContact CG-CE3 4.32Å; P112-W326 HydrophobicContact CG-CH2 3.5Å; P112-W326 VanDerWaalsContact CG-CH2 3.5Å; P112-W326 HydrophobicContact CG-CZ2 3.51Å; P112-W326 HydrophobicContact CG-CZ3 3.95Å; P112-F357 HydrophobicContact CB-CE1 3.84Å; P112-F357 HydrophobicContact CB-CZ 4.1Å; P112-F357 HydrophobicContact CG-CZ 4.41Å
113	N	96.1	Very high	92.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	19.6	179	-56.3	113.9	0	0	0	114.5	H111 Q160 A164 I191 K192 L193	H111-N113 PolarHBondContact ND1-N 2.96Å; H111-N113 PolarHBondContact O-N 2.8Å; N113-Q160 PolarHBondContact ND2-OE1 2.85Å; N113-A164 HydrophobicContact CB-CB 3.97Å; N113-A164 WeakPolarHBondContact O-CB 3.42Å; N113-I191 WeakPolarHBondContact CA-O 3.45Å; N113-I191 WeakPolarHBondContact CB-O 3.23Å; N113-I191 PolarHBondContact ND2-O 2.92Å; N113-K192 WeakPolarHBondContact O-CA 3.34Å; N113-L193 PolarHBondContact O-N 3.46Å
114	V	96.1	Very high	91.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-129.8	141.2	170.6	-172.9	0	0	0	0	108.8	I109 H111 R116 A164 F196	I109-V114 HydrophobicContact CG2-CB 3.79Å; I109-V114 HydrophobicContact CG2-CG1 3.55Å; I109-V114 HydrophobicContact CG2-CG2 4.32Å; H111-V114 HydrophobicContact CB-CB 4.31Å; H111-V114 HydrophobicContact CB-CG2 4.04Å; H111-V114 PolarHBondContact O-N 2.85Å; H111-V114 VanDerWaalsContact O-N 3.09Å; V114-R116 PolarHBondContact O-N 2.78Å; V114-A164 HydrophobicContact CG2-CB 3.8Å; V114-F196 HydrophobicContact CG1-CE2 3.51Å; V114-F196 HydrophobicContact CG1-CZ 3.4Å; V114-F196 VanDerWaalsContact CG1-CZ 3.4Å
115	V	95.4	Very high	91.6	Very high	8 Å²	8	36.7 Å²	36.7	5%	0.048	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-61.3	128.2	175.4	168	0	0	0	0	109.6	L131 E132 V134 L184 K192 L193 C194	V115-L131 HydrophobicContact CG1-CB 3.9Å; V115-L131 HydrophobicContact CG1-CD2 4.39Å; V115-E132 HydrophobicContact CG1-CB 4.1Å; V115-V134 HydrophobicContact CG2-CG2 4.16Å; V115-L184 HydrophobicContact CG2-CD1 4.02Å; V115-K192 HydrophobicContact CG2-CB 3.96Å; V115-L193 PolarHBondContact N-O 3.38Å; V115-C194 HydrophobicContact CB-CB 4.09Å; V115-C194 HydrophobicContact CG2-CB 3.56Å
116	R	94.3	Very high	91.4	Very high	34 Å²	34	42.1 Å²	42.1	13%	0.128	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-81.5	135.8	179.4	-177	61.7	179.9	176.7	1.8	111.4	I109 V114 F118 L131 E132	I109-R116 PolarHBondContact O-NH1 3.47Å; V114-R116 PolarHBondContact O-N 2.78Å; R116-F118 HydrophobicContact CB-CE1 4Å; R116-F118 HydrophobicContact CB-CZ 4.44Å; R116-F118 HydrophobicContact CG-CD1 3.9Å; R116-F118 HydrophobicContact CG-CE1 3.66Å; R116-L131 CarbonylContact O-C 3.51Å; R116-L131 WeakPolarHBondContact O-CA 3.42Å; R116-E132 HydrophobicContact CB-CB 4.29Å; R116-E132 PolarHBondContact N-OE2 3.31Å; R116-E132 PolarHBondContact O-N 2.88Å
117	L	94.7	Very high	91.3	Very high	12 Å²	12	42 Å²	42	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.6	161.8	178.2	68.2	0	0	0	109.7	L106 E107 V120 L129 L131	L106-L117 HydrophobicContact CB-CB 3.92Å; L106-L117 HydrophobicContact CB-CD2 3.68Å; L106-L117 HydrophobicContact CB-CG 4.4Å; E107-L117 HydrophobicContact CG-CD2 3.94Å; L117-V120 HydrophobicContact CD1-CG2 4.23Å; L117-V120 HydrophobicContact CD2-CG2 3.88Å; L117-V120 HydrophobicContact CG-CG2 4.48Å; L117-L129 HydrophobicContact CD1-CB 4.02Å; L117-L131 HydrophobicContact CB-CD2 4.12Å; L117-L131 HydrophobicContact CD1-CD2 3.74Å
118	F	91.1	Very high	91.4	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-44.6	177.3	-59.7	-47.5	0	0	0	112.4	V80 R116 V130 E132 I351 Q354	V80-F118 HydrophobicContact CG1-CD2 4.1Å; V80-F118 HydrophobicContact CG1-CE2 4.08Å; R116-F118 HydrophobicContact CB-CE1 4Å; R116-F118 HydrophobicContact CB-CZ 4.44Å; R116-F118 HydrophobicContact CG-CD1 3.9Å; R116-F118 HydrophobicContact CG-CE1 3.66Å; F118-V130 HydrophobicContact CB-CB 4.47Å; F118-V130 HydrophobicContact CB-CG1 4.3Å; F118-V130 HydrophobicContact CD2-CG1 4.21Å; F118-V130 PolarHBondContact N-O 3.16Å; F118-E132 HydrophobicContact CE2-CB 4.07Å; F118-E132 HydrophobicContact CZ-CB 3.8Å; F118-I351 HydrophobicContact CD2-CG1 4.5Å; F118-I351 HydrophobicContact CG-CG1 4.46Å; F118-Q354 HydrophobicContact CE1-CB 4.27Å; F118-Q354 HydrophobicContact CZ-CB 4.35Å; F118-Q354 HydrophobicContact CZ-CG 4.43Å
119	E	91.8	Very high	91.7	Very high	35 Å²	35	33.4 Å²	33.4	16%	0.164	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	146.4	-174.6	-171.1	-180	171.8	0	0	110.3	R52 Y54 I121 V130 A347	R52-E119 IonicContact CZ-OE1 3.82Å; R52-E119 IonicContact NH1-OE1 3.81Å; R52-E119 PolarHBondContact NH1-OE1 3.3Å; Y54-E119 WeakPolarHBondContact CE2-OE2 3.29Å; Y54-E119 PolarHBondContact OH-OE2 3.01Å; E119-I121 HydrophobicContact CG-CG1 3.98Å; E119-I121 WeakPolarHBondContact OE1-CG1 3.36Å; E119-V130 HydrophobicContact CB-CB 4.12Å; E119-V130 HydrophobicContact CB-CG2 4.08Å; E119-V130 PolarHBondContact N-O 2.77Å; E119-V130 WeakPolarHBondContact O-CB 3.3Å; E119-V130 PolarHBondContact O-N 2.81Å; E119-A347 HydrophobicContact CB-CB 4.31Å; E119-A347 WeakPolarHBondContact OE2-CB 3.08Å
120	V	92.4	Very high	91.9	Very high	35 Å²	35	33.3 Å²	33.3	21%	0.212	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.1	164.9	-177	0	0	0	0	108	I103 L117 E122 T127 L129	I103-V120 HydrophobicContact CD1-CG1 4.12Å; I103-V120 HydrophobicContact CG1-CG2 4.41Å; I103-V120 HydrophobicContact CG2-CG2 3.9Å; L117-V120 HydrophobicContact CD1-CG2 4.23Å; L117-V120 HydrophobicContact CD2-CG2 3.88Å; L117-V120 HydrophobicContact CG-CG2 4.48Å; V120-E122 HydrophobicContact CG1-CG 4.09Å; V120-T127 HydrophobicContact CG1-CG2 4.01Å; V120-L129 HydrophobicContact CB-CD2 4.48Å; V120-L129 HydrophobicContact CG1-CD2 4Å; V120-L129 HydrophobicContact CG2-CD2 3.97Å
121	I	91	Very high	92.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.1	175.3	-53.8	168	0	0	0	107.9	I51 R52 Y54 E119 Y128 V130	I51-I121 HydrophobicContact CD1-CG2 4.09Å; I51-I121 HydrophobicContact CG1-CD1 4.3Å; I51-I121 HydrophobicContact CG1-CG2 3.88Å; R52-I121 HydrophobicContact CB-CD1 4.21Å; R52-I121 HydrophobicContact CG-CD1 4.15Å; R52-I121 HydrophobicContact CG-CG2 4.07Å; Y54-I121 HydrophobicContact CD2-CD1 3.8Å; Y54-I121 HydrophobicContact CE2-CD1 3.9Å; E119-I121 HydrophobicContact CG-CG1 3.98Å; E119-I121 WeakPolarHBondContact OE1-CG1 3.36Å; I121-Y128 PolarHBondContact N-O 2.97Å; I121-Y128 WeakPolarHBondContact O-CD2 3.34Å; I121-Y128 PolarHBondContact O-N 2.89Å; I121-V130 HydrophobicContact CD1-CG2 3.94Å; I121-V130 HydrophobicContact CG1-CG2 4.4Å
122	E	88.1	Confident	92.3	Very high	122 Å²	122	31.2 Å²	31.2	57%	0.57	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	139.9	178.1	-60.4	-172	132.9	0	0	110.5	V120 T127	V120-E122 HydrophobicContact CG1-CG 4.09Å; E122-T127 HydrophobicContact CG-CG2 4.28Å
123	T	86.9	Confident	92.4	Very high	40 Å²	40	31.7 Å²	31.7	25%	0.245	16%	0.157	C	C	.	.			trans	-131.3	168	171.6	64.7	0	0	0	0	108	I51 R126 Y128	I51-T123 HydrophobicContact CD1-CG2 3.9Å; T123-R126 PolarHBondContact N-O 2.76Å; T123-R126 PolarHBondContact O-N 2.83Å; T123-R126 PolarHBondContact OG1-N 3.37Å; T123-R126 VanDerWaalsContact OG1-N 3.16Å; T123-R126 PolarHBondContact OG1-O 3.19Å; T123-Y128 HydrophobicContact CG2-CD2 4.41Å; T123-Y128 HydrophobicContact CG2-CE2 3.81Å
124	L	82.6	Confident	92.3	Very high	109 Å²	109	32.3 Å²	32.3	57%	0.571	16%	0.16	S	C	*	.	S	Bend	trans	-51	-53	176.8	-68.9	-178.6	0	0	0	113.1	R87 S396	R87-L124 PolarHBondContact NH1-O 3.37Å; L124-S396 WeakPolarHBondContact CD1-OXT 3.35Å
125	P	87.1	Confident	92	Very high	57 Å²	57	35.9 Å²	35.9	37%	0.37	19%	0.19	S	C	.	.	S	Bend	trans	-87.8	-16.3	-176.9	34.7	-38.1	0	0	0	114.5	R87	R87-P125 WeakPolarHBondContact CB-O 3.47Å; R87-P125 PolarHBondContact N-O 3.34Å
126	R	90.4	Very high	91.7	Very high	113 Å²	113	36.7 Å²	36.7	43%	0.426	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	145.6	-164.9	-68.3	175.5	-175.9	159.3	4.9	114	I84 I85 T123 Y128	I84-R126 HydrophobicContact CG2-CB 4.41Å; I84-R126 HydrophobicContact CG2-CG 4.35Å; I85-R126 VanDerWaalsContact O-CA 3.23Å; I85-R126 WeakPolarHBondContact O-CA 3.45Å; T123-R126 PolarHBondContact N-O 2.76Å; T123-R126 PolarHBondContact O-N 2.83Å; T123-R126 PolarHBondContact OG1-N 3.37Å; T123-R126 VanDerWaalsContact OG1-N 3.16Å; T123-R126 PolarHBondContact OG1-O 3.19Å; R126-Y128 HydrophobicContact CB-CD2 4.2Å; R126-Y128 HydrophobicContact CB-CE2 3.47Å; R126-Y128 VanDerWaalsContact CB-CE2 3.47Å; R126-Y128 WeakPolarHBondContact CD-OH 3.26Å
127	T	91.7	Very high	91.7	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.2	167.3	-59.3	0	0	0	0	109.1	I85 I103 V120 E122 L129	I85-T127 PolarHBondContact N-O 3.19Å; I85-T127 PolarHBondContact O-N 3.45Å; I103-T127 HydrophobicContact CD1-CG2 4.11Å; V120-T127 HydrophobicContact CG1-CG2 4.01Å; E122-T127 HydrophobicContact CG-CG2 4.28Å; T127-L129 HydrophobicContact CG2-CD2 4.04Å
128	Y	94	Very high	91.8	Very high	19 Å²	19	36.9 Å²	36.9	8%	0.075	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	116.6	-177.2	-57.8	-110.7	0	0	0	108.7	I51 I82 K83 I84 I121 T123 R126	I51-Y128 HydrophobicContact CB-CE1 4.33Å; I51-Y128 HydrophobicContact CD1-CE2 4.25Å; I51-Y128 HydrophobicContact CG1-CD1 4.25Å; I51-Y128 HydrophobicContact CG1-CD2 4.31Å; I51-Y128 HydrophobicContact CG1-CE1 4.22Å; I51-Y128 HydrophobicContact CG1-CE2 4.3Å; I51-Y128 HydrophobicContact CG1-CG 4.32Å; I51-Y128 HydrophobicContact CG2-CD1 4.11Å; I51-Y128 HydrophobicContact CG2-CE1 4.3Å; I82-Y128 HydrophobicContact CG2-CD1 3.93Å; I82-Y128 HydrophobicContact CG2-CG 4.46Å; K83-Y128 WeakPolarHBondContact O-CA 2.97Å; I84-Y128 HydrophobicContact CB-CD1 4.31Å; I84-Y128 HydrophobicContact CB-CE1 4.43Å; I84-Y128 HydrophobicContact CD1-CD1 4.25Å; I84-Y128 HydrophobicContact CD1-CE1 4.05Å; I84-Y128 HydrophobicContact CG1-CD1 3.73Å; I84-Y128 HydrophobicContact CG1-CE1 3.96Å; I84-Y128 HydrophobicContact CG2-CD1 4Å; I84-Y128 HydrophobicContact CG2-CE1 3.74Å; I121-Y128 PolarHBondContact N-O 2.97Å; I121-Y128 WeakPolarHBondContact O-CD2 3.34Å; I121-Y128 PolarHBondContact O-N 2.89Å; T123-Y128 HydrophobicContact CG2-CD2 4.41Å; T123-Y128 HydrophobicContact CG2-CE2 3.81Å; R126-Y128 HydrophobicContact CB-CD2 4.2Å; R126-Y128 HydrophobicContact CB-CE2 3.47Å; R126-Y128 VanDerWaalsContact CB-CE2 3.47Å; R126-Y128 WeakPolarHBondContact CD-OH 3.26Å
129	L	95.5	Very high	92.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	112.7	173.7	-48	-175.1	0	0	0	108.3	I82 K83 I85 E102 I103 L106 L117 V120 T127 L131	I82-L129 WeakPolarHBondContact CA-O 3.25Å; K83-L129 HydrophobicContact CB-CB 4.25Å; K83-L129 HydrophobicContact CD-CD1 4.44Å; K83-L129 PolarHBondContact N-O 3.48Å; K83-L129 PolarHBondContact O-N 3.25Å; I85-L129 HydrophobicContact CD1-CD1 4.13Å; I85-L129 HydrophobicContact CD1-CG 4.31Å; E102-L129 HydrophobicContact CG-CD1 4.39Å; I103-L129 HydrophobicContact CD1-CD2 3.96Å; I103-L129 HydrophobicContact CG1-CD1 4.45Å; I103-L129 HydrophobicContact CG1-CD2 3.62Å; L106-L129 HydrophobicContact CD1-CD1 4.33Å; L117-L129 HydrophobicContact CD1-CB 4.02Å; V120-L129 HydrophobicContact CB-CD2 4.48Å; V120-L129 HydrophobicContact CG1-CD2 4Å; V120-L129 HydrophobicContact CG2-CD2 3.97Å; T127-L129 HydrophobicContact CG2-CD2 4.04Å; L129-L131 HydrophobicContact CB-CD1 4.48Å; L129-L131 HydrophobicContact CB-CD2 4.34Å; L129-L131 HydrophobicContact CB-CG 4.23Å; L129-L131 PolarHBondContact O-N 2.94Å
130	V	95.9	Very high	92.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	109	176.1	-172.1	0	0	0	0	108.4	Y54 V80 I82 F118 E119 I121	Y54-V130 HydrophobicContact CD1-CG1 4.2Å; Y54-V130 HydrophobicContact CD2-CG2 4.25Å; Y54-V130 HydrophobicContact CE1-CG1 3.48Å; Y54-V130 VanDerWaalsContact CE1-CG1 3.48Å; Y54-V130 HydrophobicContact CE1-CG2 4.44Å; Y54-V130 HydrophobicContact CE2-CG1 4.3Å; Y54-V130 HydrophobicContact CE2-CG2 3.86Å; V80-V130 HydrophobicContact CB-CG1 4.03Å; V80-V130 HydrophobicContact CG1-CG1 4.15Å; V80-V130 HydrophobicContact CG2-CG1 3.97Å; I82-V130 HydrophobicContact CD1-CG2 4.34Å; I82-V130 HydrophobicContact CG1-CG1 4.4Å; I82-V130 HydrophobicContact CG1-CG2 4.39Å; F118-V130 HydrophobicContact CB-CB 4.47Å; F118-V130 HydrophobicContact CB-CG1 4.3Å; F118-V130 HydrophobicContact CD2-CG1 4.21Å; F118-V130 PolarHBondContact N-O 3.16Å; E119-V130 HydrophobicContact CB-CB 4.12Å; E119-V130 HydrophobicContact CB-CG2 4.08Å; E119-V130 PolarHBondContact N-O 2.77Å; E119-V130 WeakPolarHBondContact O-CB 3.3Å; E119-V130 PolarHBondContact O-N 2.81Å; I121-V130 HydrophobicContact CD1-CG2 3.94Å; I121-V130 HydrophobicContact CG1-CG2 4.4Å
131	L	96	Very high	92.5	Very high	22 Å²	22	40.6 Å²	40.6	12%	0.115	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	157.2	-171.8	-57.5	167.8	0	0	0	111.3	V80 A81 K83 L106 V115 R116 L117 L129 L133	V80-L131 WeakPolarHBondContact CB-O 3.48Å; A81-L131 HydrophobicContact CB-CB 4.44Å; A81-L131 PolarHBondContact N-O 2.81Å; A81-L131 WeakPolarHBondContact O-CA 3.44Å; A81-L131 WeakPolarHBondContact O-CB 3.4Å; A81-L131 PolarHBondContact O-N 3.01Å; K83-L131 HydrophobicContact CB-CD1 4.07Å; L106-L131 HydrophobicContact CD1-CD2 4.23Å; V115-L131 HydrophobicContact CG1-CB 3.9Å; V115-L131 HydrophobicContact CG1-CD2 4.39Å; R116-L131 CarbonylContact O-C 3.51Å; R116-L131 WeakPolarHBondContact O-CA 3.42Å; L117-L131 HydrophobicContact CB-CD2 4.12Å; L117-L131 HydrophobicContact CD1-CD2 3.74Å; L129-L131 HydrophobicContact CB-CD1 4.48Å; L129-L131 HydrophobicContact CB-CD2 4.34Å; L129-L131 HydrophobicContact CB-CG 4.23Å; L129-L131 PolarHBondContact O-N 2.94Å; L131-L133 PolarHBondContact O-N 3.01Å
132	E	93.9	Very high	92.8	Very high	20 Å²	20	41.6 Å²	41.6	9%	0.093	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	129.2	165.9	165.6	169.7	-142.1	0	0	111.6	V115 R116 F118 V134 K192 Q354	V115-E132 HydrophobicContact CG1-CB 4.1Å; R116-E132 HydrophobicContact CB-CB 4.29Å; R116-E132 PolarHBondContact N-OE2 3.31Å; R116-E132 PolarHBondContact O-N 2.88Å; F118-E132 HydrophobicContact CE2-CB 4.07Å; F118-E132 HydrophobicContact CZ-CB 3.8Å; E132-V134 HydrophobicContact CG-CG2 4.27Å; E132-K192 HydrophobicContact CG-CD 4.46Å; E132-K192 WeakPolarHBondContact OE1-CE 3.27Å; E132-K192 IonicContact OE1-NZ 3.75Å; E132-K192 PolarHBondContact OE1-NZ 3.21Å; E132-K192 WeakPolarHBondContact OE2-CD 3.34Å; E132-K192 VanDerWaalsContact OE2-CE 3.28Å; E132-K192 WeakPolarHBondContact OE2-CE 3.33Å; E132-K192 IonicContact OE2-NZ 2.92Å; E132-K192 PolarHBondContact OE2-NZ 2.72Å; E132-Q354 VanDerWaalsContact CG-NE2 3.34Å; E132-Q354 PolarHBondContact OE1-NE2 3.4Å
133	L	95.4	Very high	93.3	Very high	26 Å²	26	35.9 Å²	35.9	14%	0.136	20%	0.201	C	C	.	.			trans	-85.9	129.1	171.1	-176.3	68.5	0	0	0	110.8	I60 K70 E79 A81 L131	I60-L133 HydrophobicContact CD1-CD1 3.78Å; K70-L133 HydrophobicContact CD-CD2 4.07Å; K70-L133 HydrophobicContact CG-CD1 4.48Å; K70-L133 HydrophobicContact CG-CD2 3.83Å; E79-L133 HydrophobicContact CB-CD2 3.63Å; A81-L133 HydrophobicContact CB-CB 4.49Å; A81-L133 HydrophobicContact CB-CD1 3.96Å; L131-L133 PolarHBondContact O-N 3.01Å
134	V	94	Very high	93.7	Very high	14 Å²	14	41.2 Å²	41.2	9%	0.085	22%	0.221	C	C	.	.			trans	-113.3	102.3	173.8	-169.9	0	0	0	0	109.2	V115 E132 G136 L184 K192	V115-V134 HydrophobicContact CG2-CG2 4.16Å; E132-V134 HydrophobicContact CG-CG2 4.27Å; V134-G136 PolarHBondContact O-N 3.31Å; V134-L184 HydrophobicContact CB-CB 3.77Å; V134-L184 HydrophobicContact CB-CD1 3.82Å; V134-L184 HydrophobicContact CB-CG 4.43Å; V134-L184 HydrophobicContact CG1-CB 3.76Å; V134-L184 HydrophobicContact CG2-CB 4.08Å; V134-L184 HydrophobicContact CG2-CD1 3.79Å; V134-K192 HydrophobicContact CG2-CB 4.22Å; V134-K192 HydrophobicContact CG2-CD 3.59Å; V134-K192 HydrophobicContact CG2-CG 4.45Å
135	A	89	Confident	94.4	Very high	75 Å²	75	44.7 Å²	44.7	62%	0.62	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.3	-166.7	0	0	0	0	0	115.4	G137	A135-G137 PolarHBondContact O-N 2.91Å
136	G	90.7	Very high	94.8	Very high	25 Å²	25	47.2 Å²	47.2	26%	0.258	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.5	-174.3	0	0	0	0	0	115.1	V134 R185 D187	V134-G136 PolarHBondContact O-N 3.31Å; G136-R185 CarbonylContact C-O 3.57Å; G136-R185 WeakPolarHBondContact CA-O 3.45Å; G136-R185 PolarHBondContact N-O 3.45Å; G136-D187 WeakPolarHBondContact CA-OD1 3.43Å
137	G	93.7	Very high	95.1	Very high	27 Å²	27	43.1 Å²	43.1	28%	0.278	22%	0.224	S	C	.	.			trans	81.6	-172.8	172.3	0	0	0	0	0	115	A135 L184 R185	A135-G137 PolarHBondContact O-N 2.91Å; G137-L184 WeakPolarHBondContact O-CA 3.35Å; G137-R185 PolarHBondContact O-N 3.18Å
138	D	96.4	Very high	95.3	Very high	23 Å²	23	48.4 Å²	48.4	12%	0.123	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-79.4	150.6	-177.6	62.2	77.9	0	0	0	113.3	L140 K141 Y142 V183 L184	D138-L140 PolarHBondContact O-N 2.72Å; D138-L140 WeakPolarHBondContact OD1-CB 3.28Å; D138-L140 PolarHBondContact OD1-N 2.89Å; D138-K141 PolarHBondContact O-N 2.99Å; D138-K141 WeakPolarHBondContact OD1-CB 3.41Å; D138-K141 VanDerWaalsContact OD1-CG 3.3Å; D138-K141 WeakPolarHBondContact OD1-CG 3Å; D138-K141 PolarHBondContact OD1-N 2.68Å; D138-K141 VanDerWaalsContact OD2-CD 3.25Å; D138-K141 WeakPolarHBondContact OD2-CD 3.44Å; D138-K141 VanDerWaalsContact OD2-CE 3.26Å; D138-K141 WeakPolarHBondContact OD2-CE 3.31Å; D138-K141 IonicContact OD2-NZ 3.44Å; D138-K141 PolarHBondContact OD2-NZ 3.44Å; D138-Y142 PolarHBondContact O-N 3.43Å; D138-V183 CarbonylContact C-O 3.56Å; D138-V183 WeakPolarHBondContact CA-O 3.49Å; D138-L184 HydrophobicContact CB-CD2 4.14Å
139	L	97.5	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-27	-178	-175.3	64.5	0	0	0	111.6	Y142 V143 I157 P180 V183 L247 M251	L139-Y142 HydrophobicContact CD1-CD1 3.94Å; L139-Y142 PolarHBondContact O-N 3.41Å; L139-V143 HydrophobicContact CD1-CG2 4.11Å; L139-V143 HydrophobicContact CG-CG2 4.24Å; L139-V143 WeakPolarHBondContact O-CG2 3.34Å; L139-V143 PolarHBondContact O-N 3.4Å; L139-I157 HydrophobicContact CD1-CD1 3.97Å; L139-I157 HydrophobicContact CD2-CG2 4.06Å; L139-P180 HydrophobicContact CB-CB 4.33Å; L139-P180 WeakPolarHBondContact CB-O 3.38Å; L139-P180 PolarHBondContact N-O 3.42Å; L139-P180 VanDerWaalsContact N-O 3.08Å; L139-V183 HydrophobicContact CB-CB 3.97Å; L139-V183 HydrophobicContact CB-CG1 4.06Å; L139-V183 VanDerWaalsContact CB-O 3.29Å; L139-V183 WeakPolarHBondContact CB-O 3.42Å; L139-V183 HydrophobicContact CD2-CB 4.1Å; L139-V183 HydrophobicContact CD2-CG1 3.79Å; L139-V183 PolarHBondContact N-O 2.84Å; L139-L247 HydrophobicContact CD2-CD1 4.06Å; L139-M251 HydrophobicContact CD2-CG 4.1Å; L139-M251 HydrophobicContact CD2-SD 3.84Å
140	L	96.9	Very high	95.5	Very high	29 Å²	29	54.9 Å²	54.9	15%	0.152	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-55.4	174.2	-173.6	70.6	0	0	0	110.6	D138 Y142 V143 K144 P180 E181 F250	D138-L140 PolarHBondContact O-N 2.72Å; D138-L140 WeakPolarHBondContact OD1-CB 3.28Å; D138-L140 PolarHBondContact OD1-N 2.89Å; L140-Y142 VanDerWaalsContact C-N 3.27Å; L140-Y142 PolarHBondContact O-N 3.48Å; L140-V143 PolarHBondContact O-N 3.14Å; L140-K144 HydrophobicContact CD1-CD 4.49Å; L140-K144 HydrophobicContact CG-CD 4.14Å; L140-K144 WeakPolarHBondContact O-CB 3.35Å; L140-K144 WeakPolarHBondContact O-CG 3.49Å; L140-K144 PolarHBondContact O-N 3.16Å; L140-P180 HydrophobicContact CB-CB 3.8Å; L140-P180 HydrophobicContact CD1-CB 4.13Å; L140-P180 HydrophobicContact CD1-CG 4.42Å; L140-P180 PolarHBondContact N-O 3.37Å; L140-E181 HydrophobicContact CB-CG 4.23Å; L140-E181 HydrophobicContact CD2-CG 3.74Å; L140-F250 HydrophobicContact CD1-CE1 4.47Å; L140-F250 HydrophobicContact CD1-CE2 4.31Å; L140-F250 HydrophobicContact CD1-CZ 3.8Å
141	K	96.4	Very high	95.5	Very high	127 Å²	127	56.7 Å²	56.7	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-61.3	-38	178.2	-74.1	175.2	-169.3	136.4	0	111.5	D138 R145	D138-K141 PolarHBondContact O-N 2.99Å; D138-K141 WeakPolarHBondContact OD1-CB 3.41Å; D138-K141 VanDerWaalsContact OD1-CG 3.3Å; D138-K141 WeakPolarHBondContact OD1-CG 3Å; D138-K141 PolarHBondContact OD1-N 2.68Å; D138-K141 VanDerWaalsContact OD2-CD 3.25Å; D138-K141 WeakPolarHBondContact OD2-CD 3.44Å; D138-K141 VanDerWaalsContact OD2-CE 3.26Å; D138-K141 WeakPolarHBondContact OD2-CE 3.31Å; D138-K141 IonicContact OD2-NZ 3.44Å; D138-K141 PolarHBondContact OD2-NZ 3.44Å; K141-R145 WeakPolarHBondContact O-CB 3.38Å; K141-R145 PolarHBondContact O-N 2.85Å
142	Y	97.2	Very high	95.4	Very high	22 Å²	22	59.9 Å²	59.9	9%	0.086	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-53.4	177.7	-177.2	-107.8	0	0	0	112.1	D138 L139 L140 R145 K146 L149 E153	D138-Y142 PolarHBondContact O-N 3.43Å; L139-Y142 HydrophobicContact CD1-CD1 3.94Å; L139-Y142 PolarHBondContact O-N 3.41Å; L140-Y142 VanDerWaalsContact C-N 3.27Å; L140-Y142 PolarHBondContact O-N 3.48Å; Y142-R145 PolarHBondContact O-N 3.33Å; Y142-K146 HydrophobicContact CE1-CD 4.06Å; Y142-K146 HydrophobicContact CE2-CD 4.36Å; Y142-K146 WeakPolarHBondContact O-CB 3.29Å; Y142-K146 PolarHBondContact O-N 2.84Å; Y142-K146 WeakPolarHBondContact OH-CD 3.34Å; Y142-K146 PolarHBondContact OH-NZ 3.13Å; Y142-L149 HydrophobicContact CD1-CD1 4.47Å; Y142-L149 HydrophobicContact CD1-CD2 4.16Å; Y142-L149 HydrophobicContact CE1-CD1 4.21Å; Y142-L149 HydrophobicContact CE1-CD2 3.68Å; Y142-E153 VanDerWaalsContact CE1-OE1 3.31Å; Y142-E153 WeakPolarHBondContact CE1-OE1 3.42Å; Y142-E153 VanDerWaalsContact CZ-OE1 3.28Å; Y142-E153 PolarHBondContact OH-OE1 3.33Å
143	V	97.4	Very high	95.4	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-67.3	-39	179.7	175.7	0	0	0	0	111.2	L139 L140 R145 K146 G147 L149 F250 A254	L139-V143 HydrophobicContact CD1-CG2 4.11Å; L139-V143 HydrophobicContact CG-CG2 4.24Å; L139-V143 WeakPolarHBondContact O-CG2 3.34Å; L139-V143 PolarHBondContact O-N 3.4Å; L140-V143 PolarHBondContact O-N 3.14Å; V143-R145 VanDerWaalsContact C-N 3.29Å; V143-R145 PolarHBondContact O-N 2.85Å; V143-K146 PolarHBondContact O-N 3.5Å; V143-G147 CarbonylContact O-C 3.39Å; V143-G147 VanDerWaalsContact O-CA 3.28Å; V143-G147 WeakPolarHBondContact O-CA 3.4Å; V143-G147 PolarHBondContact O-N 3.38Å; V143-L149 HydrophobicContact CG2-CD1 4.04Å; V143-L149 HydrophobicContact CG2-CD2 4.28Å; V143-L149 HydrophobicContact CG2-CG 4.09Å; V143-F250 HydrophobicContact CB-CE1 3.67Å; V143-F250 HydrophobicContact CB-CZ 3.7Å; V143-F250 HydrophobicContact CG1-CE1 3.78Å; V143-F250 HydrophobicContact CG1-CE2 4.21Å; V143-F250 HydrophobicContact CG1-CZ 3.59Å; V143-F250 HydrophobicContact CG2-CE1 3.78Å; V143-F250 HydrophobicContact CG2-CZ 4.33Å; V143-A254 HydrophobicContact CG1-CB 3.63Å
144	K	96.1	Very high	95.5	Very high	153 Å²	153	59.4 Å²	59.4	67%	0.665	30%	0.298	S	S	*	.	H	α-helix	trans	-60.2	-37.5	175	-78.3	-176.8	175.3	-177.8	0	112.9	L140	L140-K144 HydrophobicContact CD1-CD 4.49Å; L140-K144 HydrophobicContact CG-CD 4.14Å; L140-K144 WeakPolarHBondContact O-CB 3.35Å; L140-K144 WeakPolarHBondContact O-CG 3.49Å; L140-K144 PolarHBondContact O-N 3.16Å
145	R	96.2	Very high	95.6	Very high	181 Å²	181	59.3 Å²	59.3	68%	0.683	30%	0.296	S	S	*	.	H	α-helix	trans	-77.5	-42.8	178.9	-177.7	177.1	63.6	-122.1	3	112.5	K141 Y142 V143	K141-R145 WeakPolarHBondContact O-CB 3.38Å; K141-R145 PolarHBondContact O-N 2.85Å; Y142-R145 PolarHBondContact O-N 3.33Å; V143-R145 VanDerWaalsContact C-N 3.29Å; V143-R145 PolarHBondContact O-N 2.85Å
146	K	96.2	Very high	95.8	Very high	110 Å²	110	57.3 Å²	57.3	48%	0.478	28%	0.278	S	S	.	.	H	α-helix	trans	-83.2	-25.3	-174.8	-172.5	168.7	179.6	178.3	0	113	Y142 V143 L149 E153	Y142-K146 HydrophobicContact CE1-CD 4.06Å; Y142-K146 HydrophobicContact CE2-CD 4.36Å; Y142-K146 WeakPolarHBondContact O-CB 3.29Å; Y142-K146 PolarHBondContact O-N 2.84Å; Y142-K146 WeakPolarHBondContact OH-CD 3.34Å; Y142-K146 PolarHBondContact OH-NZ 3.13Å; V143-K146 PolarHBondContact O-N 3.5Å; K146-L149 HydrophobicContact CB-CD2 4.47Å; K146-L149 HydrophobicContact CD-CD2 3.8Å; K146-L149 HydrophobicContact CG-CD2 4.31Å; K146-E153 VanDerWaalsContact NZ-CD 3.33Å; K146-E153 IonicContact NZ-OE1 2.72Å; K146-E153 PolarHBondContact NZ-OE1 3.21Å; K146-E153 IonicContact NZ-OE2 3.55Å; K146-E153 PolarHBondContact NZ-OE2 3.4Å
147	G	97.1	Very high	96.1	Very high	27 Å²	27	56.4 Å²	56.4	28%	0.278	27%	0.267	S	S	.	.			trans	80.3	-161.6	-162.9	0	0	0	0	0	111.3	V143 L149	V143-G147 CarbonylContact O-C 3.39Å; V143-G147 VanDerWaalsContact O-CA 3.28Å; V143-G147 WeakPolarHBondContact O-CA 3.4Å; V143-G147 PolarHBondContact O-N 3.38Å; G147-L149 PolarHBondContact O-N 2.9Å
148	K	96	Very high	96.3	Very high	115 Å²	115	55.1 Å²	55.1	50%	0.5	25%	0.253	S	S	.	.	S	Bend	trans	-58.8	137.7	-178.8	66.4	-178.8	-176.6	-179.4	0	111	A254 F280	K148-A254 HydrophobicContact CB-CB 4.25Å; K148-F280 HydrophobicContact CD-CE2 3.99Å; K148-F280 HydrophobicContact CD-CZ 4.1Å
149	L	97.1	Very high	96.3	Very high	5 Å²	5	54 Å²	54	3%	0.026	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-81.7	144.9	176	-52.9	-171.1	0	0	0	110.1	Y142 V143 K146 G147 E153 A154 I157 M251	Y142-L149 HydrophobicContact CD1-CD1 4.47Å; Y142-L149 HydrophobicContact CD1-CD2 4.16Å; Y142-L149 HydrophobicContact CE1-CD1 4.21Å; Y142-L149 HydrophobicContact CE1-CD2 3.68Å; V143-L149 HydrophobicContact CG2-CD1 4.04Å; V143-L149 HydrophobicContact CG2-CD2 4.28Å; V143-L149 HydrophobicContact CG2-CG 4.09Å; K146-L149 HydrophobicContact CB-CD2 4.47Å; K146-L149 HydrophobicContact CD-CD2 3.8Å; K146-L149 HydrophobicContact CG-CD2 4.31Å; G147-L149 PolarHBondContact O-N 2.9Å; L149-E153 HydrophobicContact CD1-CG 4.35Å; L149-A154 HydrophobicContact CB-CB 4.3Å; L149-I157 HydrophobicContact CD1-CD1 3.68Å; L149-M251 HydrophobicContact CD1-CB 4.09Å; L149-M251 HydrophobicContact CD1-CG 4.16Å; L149-M251 HydrophobicContact CD1-SD 4.27Å; L149-M251 HydrophobicContact CG-CB 4.44Å; L149-M251 PolarHBondContact N-O 2.87Å
150	E	95.9	Very high	96.2	Very high	151 Å²	151	54.7 Å²	54.7	71%	0.706	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-64.6	151.3	167.4	-65.4	-175.7	176.2	0	0	110.2	E152 E153 A154	E150-E152 PolarHBondContact O-N 2.78Å; E150-E153 PolarHBondContact O-N 3.4Å; E150-E153 VanDerWaalsContact O-N 3.13Å; E150-A154 PolarHBondContact O-N 3.38Å
151	E	95.6	Very high	96.3	Very high	38 Å²	38	53.3 Å²	53.3	18%	0.178	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-31.3	-177	-73.2	-165.5	-152.4	0	0	113.2	R155 I281 S282 W311	E151-R155 WeakPolarHBondContact O-CB 3.31Å; E151-R155 PolarHBondContact O-N 3.37Å; E151-R155 IonicContact OE2-NH2 2.77Å; E151-I281 WeakPolarHBondContact OE1-CA 3.39Å; E151-S282 WeakPolarHBondContact OE1-CB 3.38Å; E151-S282 PolarHBondContact OE1-N 2.93Å; E151-S282 PolarHBondContact OE1-OG 3.28Å; E151-S282 PolarHBondContact OE2-OG 3.13Å; E151-W311 PolarHBondContact OE2-NE1 3.05Å
152	E	94.3	Very high	96.3	Very high	88 Å²	88	47.2 Å²	47.2	41%	0.411	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-47	176.5	-171.7	61.3	-141.1	0	0	111.7	E150 R155 S156	E150-E152 PolarHBondContact O-N 2.78Å; E152-R155 VanDerWaalsContact CD-NH1 3.32Å; E152-R155 PolarHBondContact O-N 3.08Å; E152-R155 IonicContact OE1-NH1 2.68Å; E152-R155 IonicContact OE2-CZ 2.67Å; E152-R155 IonicContact OE2-NH1 2.91Å; E152-R155 PolarHBondContact OE2-NH1 2.64Å; E152-S156 PolarHBondContact O-N 2.83Å
153	E	94.9	Very high	96.2	Very high	36 Å²	36	46.3 Å²	46.3	17%	0.168	21%	0.214	C	C	.	.	H	α-helix	trans	-68.9	-47.7	178.5	-177.7	176.6	-157	0	0	111.4	Y142 K146 L149 E150 R155 S156 I157	Y142-E153 VanDerWaalsContact CE1-OE1 3.31Å; Y142-E153 WeakPolarHBondContact CE1-OE1 3.42Å; Y142-E153 VanDerWaalsContact CZ-OE1 3.28Å; Y142-E153 PolarHBondContact OH-OE1 3.33Å; K146-E153 VanDerWaalsContact NZ-CD 3.33Å; K146-E153 IonicContact NZ-OE1 2.72Å; K146-E153 PolarHBondContact NZ-OE1 3.21Å; K146-E153 IonicContact NZ-OE2 3.55Å; K146-E153 PolarHBondContact NZ-OE2 3.4Å; L149-E153 HydrophobicContact CD1-CG 4.35Å; E150-E153 PolarHBondContact O-N 3.4Å; E150-E153 VanDerWaalsContact O-N 3.13Å; E153-R155 PolarHBondContact O-N 2.95Å; E153-S156 WeakPolarHBondContact O-CB 3.33Å; E153-S156 PolarHBondContact O-N 3.42Å; E153-S156 VanDerWaalsContact O-N 3.12Å; E153-I157 HydrophobicContact CG-CD1 4.11Å; E153-I157 WeakPolarHBondContact O-CG1 3.37Å; E153-I157 PolarHBondContact O-N 3.21Å
154	A	96.7	Very high	96.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58	-38	176.9	0	0	0	0	0	111.3	L149 E150 I157 Y158 L248 M251 I252	L149-A154 HydrophobicContact CB-CB 4.3Å; E150-A154 PolarHBondContact O-N 3.38Å; A154-I157 PolarHBondContact O-N 3.34Å; A154-Y158 WeakPolarHBondContact O-CB 3.28Å; A154-Y158 PolarHBondContact O-N 3.3Å; A154-L248 HydrophobicContact CB-CD1 4.35Å; A154-M251 HydrophobicContact CB-CB 4.24Å; A154-I252 HydrophobicContact CB-CG2 3.66Å
155	R	95.7	Very high	96.3	Very high	13 Å²	13	39 Å²	39	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-42.1	175.8	-171.3	-172.8	-54.1	109.6	8.1	112.4	E151 E152 E153 Y158 A159 W311 L312	E151-R155 WeakPolarHBondContact O-CB 3.31Å; E151-R155 PolarHBondContact O-N 3.37Å; E151-R155 IonicContact OE2-NH2 2.77Å; E152-R155 VanDerWaalsContact CD-NH1 3.32Å; E152-R155 PolarHBondContact O-N 3.08Å; E152-R155 IonicContact OE1-NH1 2.68Å; E152-R155 IonicContact OE2-CZ 2.67Å; E152-R155 IonicContact OE2-NH1 2.91Å; E152-R155 PolarHBondContact OE2-NH1 2.64Å; E153-R155 PolarHBondContact O-N 2.95Å; R155-Y158 PolarHBondContact O-N 2.92Å; R155-A159 VanDerWaalsContact O-CB 3.28Å; R155-A159 WeakPolarHBondContact O-CB 3.4Å; R155-A159 PolarHBondContact O-N 2.79Å; R155-W311 VanDerWaalsContact CA-CH2 3.41Å; R155-W311 HydrophobicContact CB-CH2 3.67Å; R155-W311 HydrophobicContact CB-CZ2 3.82Å; R155-W311 HydrophobicContact CB-CZ3 4.16Å; R155-W311 WeakPolarHBondContact CD-O 3.39Å; R155-W311 HydrophobicContact CG-CE3 4.3Å; R155-W311 HydrophobicContact CG-CH2 4.07Å; R155-W311 HydrophobicContact CG-CZ2 4.34Å; R155-W311 HydrophobicContact CG-CZ3 4.05Å; R155-W311 PolarHBondContact NE-O 3.18Å; R155-L312 HydrophobicContact CG-CD1 3.68Å
156	S	94.5	Very high	96.3	Very high	33 Å²	33	31 Å²	31	23%	0.231	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-45.7	175.1	179.8	0	0	0	0	111.8	E152 E153 A159 Q160	E152-S156 PolarHBondContact O-N 2.83Å; E153-S156 WeakPolarHBondContact O-CB 3.33Å; E153-S156 PolarHBondContact O-N 3.42Å; E153-S156 VanDerWaalsContact O-N 3.12Å; S156-A159 PolarHBondContact O-N 3.31Å; S156-Q160 WeakPolarHBondContact O-CG 3.45Å; S156-Q160 PolarHBondContact O-N 2.49Å
157	I	96.5	Very high	96.3	Very high	5 Å²	5	27 Å²	27	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-47.1	177.8	-62.7	173.5	0	0	0	110.4	L139 L149 E153 A154 A159 Q160 M161 I191 M251	L139-I157 HydrophobicContact CD1-CD1 3.97Å; L139-I157 HydrophobicContact CD2-CG2 4.06Å; L149-I157 HydrophobicContact CD1-CD1 3.68Å; E153-I157 HydrophobicContact CG-CD1 4.11Å; E153-I157 WeakPolarHBondContact O-CG1 3.37Å; E153-I157 PolarHBondContact O-N 3.21Å; A154-I157 PolarHBondContact O-N 3.34Å; I157-A159 VanDerWaalsContact C-N 3.34Å; I157-A159 PolarHBondContact O-N 3.44Å; I157-Q160 PolarHBondContact O-N 2.94Å; I157-M161 WeakPolarHBondContact O-CG 3.36Å; I157-M161 PolarHBondContact O-N 3.45Å; I157-I191 HydrophobicContact CB-CD1 4.42Å; I157-I191 HydrophobicContact CB-CG1 4.24Å; I157-I191 HydrophobicContact CD1-CD1 4.46Å; I157-I191 HydrophobicContact CG1-CD1 3.92Å; I157-I191 HydrophobicContact CG1-CG1 4.09Å; I157-I191 HydrophobicContact CG2-CD1 4Å; I157-I191 HydrophobicContact CG2-CG1 3.98Å; I157-I191 HydrophobicContact CG2-CG2 4.44Å; I157-M251 HydrophobicContact CB-SD 3.88Å; I157-M251 HydrophobicContact CD1-SD 4.19Å; I157-M251 HydrophobicContact CG2-CE 4.27Å; I157-M251 HydrophobicContact CG2-SD 3.51Å; I157-M251 VanDerWaalsContact CG2-SD 3.51Å
158	Y	97.6	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-42.4	178.6	-167.5	-87.3	0	0	0	112.3	A154 R155 Q160 M161 L162 L244 L248 M251 M288 I292 Q306 W311 L312	A154-Y158 WeakPolarHBondContact O-CB 3.28Å; A154-Y158 PolarHBondContact O-N 3.3Å; R155-Y158 PolarHBondContact O-N 2.92Å; Y158-Q160 VanDerWaalsContact C-N 3.35Å; Y158-Q160 PolarHBondContact O-N 2.75Å; Y158-M161 PolarHBondContact O-N 2.68Å; Y158-L162 HydrophobicContact CD1-CB 4.45Å; Y158-L162 HydrophobicContact CE1-CB 4.31Å; Y158-L162 HydrophobicContact CE1-CD2 4.29Å; Y158-L162 WeakPolarHBondContact O-CB 3.37Å; Y158-L162 PolarHBondContact O-N 2.93Å; Y158-L244 HydrophobicContact CE2-CB 4.02Å; Y158-L244 WeakPolarHBondContact CE2-O 3.39Å; Y158-L248 HydrophobicContact CD2-CB 3.74Å; Y158-L248 HydrophobicContact CD2-CD1 4.18Å; Y158-L248 HydrophobicContact CD2-CD2 4.12Å; Y158-L248 HydrophobicContact CD2-CG 4.23Å; Y158-L248 HydrophobicContact CE2-CB 3.73Å; Y158-L248 HydrophobicContact CE2-CD2 4.04Å; Y158-L248 HydrophobicContact CE2-CG 4.4Å; Y158-M251 HydrophobicContact CD2-CE 4.39Å; Y158-M288 HydrophobicContact CD1-CE 4.49Å; Y158-M288 HydrophobicContact CE1-CE 3.6Å; Y158-I292 WeakPolarHBondContact OH-CD1 3.4Å; Y158-Q306 PolarHBondContact OH-OE1 3.47Å; Y158-W311 HydrophobicContact CD1-CZ3 4.13Å; Y158-W311 HydrophobicContact CG-CZ3 4.09Å; Y158-L312 HydrophobicContact CD1-CD1 4.3Å; Y158-L312 HydrophobicContact CD1-CD2 4.41Å
159	A	96.1	Very high	96.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-59.1	-46.6	178.2	0	0	0	0	0	111.5	R155 S156 I157 L162 L163 L312 L321	R155-A159 VanDerWaalsContact O-CB 3.28Å; R155-A159 WeakPolarHBondContact O-CB 3.4Å; R155-A159 PolarHBondContact O-N 2.79Å; S156-A159 PolarHBondContact O-N 3.31Å; I157-A159 VanDerWaalsContact C-N 3.34Å; I157-A159 PolarHBondContact O-N 3.44Å; A159-L162 PolarHBondContact O-N 3.47Å; A159-L163 WeakPolarHBondContact O-CD1 3.39Å; A159-L163 VanDerWaalsContact O-CG 3.27Å; A159-L163 WeakPolarHBondContact O-CG 3.49Å; A159-L163 PolarHBondContact O-N 3.07Å; A159-L163 VanDerWaalsContact O-N 3.12Å; A159-L312 HydrophobicContact CB-CD1 3.82Å; A159-L321 HydrophobicContact CB-CD1 4.32Å
160	Q	95.7	Very high	96.3	Very high	13 Å²	13	25.7 Å²	25.7	6%	0.061	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-42.5	177.6	-71.5	-176.2	76.1	0	0	112.1	N113 S156 I157 Y158 L163 A164 G189 I191	N113-Q160 PolarHBondContact ND2-OE1 2.85Å; S156-Q160 WeakPolarHBondContact O-CG 3.45Å; S156-Q160 PolarHBondContact O-N 2.49Å; I157-Q160 PolarHBondContact O-N 2.94Å; Y158-Q160 VanDerWaalsContact C-N 3.35Å; Y158-Q160 PolarHBondContact O-N 2.75Å; Q160-L163 PolarHBondContact O-N 3.34Å; Q160-A164 PolarHBondContact O-N 2.99Å; Q160-A164 VanDerWaalsContact O-N 3.12Å; Q160-G189 PolarHBondContact NE2-O 3.17Å; Q160-G189 VanDerWaalsContact NE2-O 3.13Å; Q160-I191 HydrophobicContact CB-CB 3.92Å; Q160-I191 HydrophobicContact CB-CG1 4.31Å
161	M	97.8	Very high	96.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-43.7	175.9	-73.7	-56.4	-57.3	0	0	112.6	I157 Y158 L163 A164 V165 I178 V183 I191 L193 L244 L247	I157-M161 WeakPolarHBondContact O-CG 3.36Å; I157-M161 PolarHBondContact O-N 3.45Å; Y158-M161 PolarHBondContact O-N 2.68Å; M161-L163 VanDerWaalsContact C-N 3.28Å; M161-L163 PolarHBondContact O-N 3.24Å; M161-A164 WeakPolarHBondContact O-CB 3.33Å; M161-A164 PolarHBondContact O-N 3.09Å; M161-V165 WeakPolarHBondContact O-CG2 3.45Å; M161-V165 PolarHBondContact O-N 2.91Å; M161-I178 HydrophobicContact CE-CG2 4.24Å; M161-V183 HydrophobicContact CE-CG2 3.63Å; M161-V183 HydrophobicContact CG-CG1 4.32Å; M161-V183 HydrophobicContact SD-CB 4.38Å; M161-V183 HydrophobicContact SD-CG1 3.68Å; M161-V183 HydrophobicContact SD-CG2 3.8Å; M161-I191 HydrophobicContact CG-CG2 3.89Å; M161-I191 HydrophobicContact SD-CG2 3.49Å; M161-I191 WeakPolarHBondContact SD-CG2 3.44Å; M161-L193 HydrophobicContact CE-CB 4.03Å; M161-L193 HydrophobicContact CE-CD1 3.85Å; M161-L193 HydrophobicContact CE-CD2 4.32Å; M161-L193 HydrophobicContact CE-CG 4.28Å; M161-L193 HydrophobicContact SD-CB 4.42Å; M161-L244 HydrophobicContact CB-CD2 3.84Å; M161-L244 HydrophobicContact CE-CD2 4.44Å; M161-L247 HydrophobicContact CG-CD2 4.43Å
162	L	97.7	Very high	96.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-39	178.8	-177.6	63.3	0	0	0	111.2	Y158 A159 V165 I166 L244 A303 Q306 L307 L312	Y158-L162 HydrophobicContact CD1-CB 4.45Å; Y158-L162 HydrophobicContact CE1-CB 4.31Å; Y158-L162 HydrophobicContact CE1-CD2 4.29Å; Y158-L162 WeakPolarHBondContact O-CB 3.37Å; Y158-L162 PolarHBondContact O-N 2.93Å; A159-L162 PolarHBondContact O-N 3.47Å; L162-V165 PolarHBondContact O-N 3.28Å; L162-I166 HydrophobicContact CD1-CD1 4.43Å; L162-I166 HydrophobicContact CG-CD1 3.97Å; L162-I166 HydrophobicContact CG-CG1 4.49Å; L162-I166 VanDerWaalsContact O-CG1 3.26Å; L162-I166 WeakPolarHBondContact O-CG1 3.24Å; L162-I166 PolarHBondContact O-N 3.29Å; L162-L244 HydrophobicContact CD1-CD1 3.95Å; L162-A303 HydrophobicContact CD1-CB 4.04Å; L162-Q306 HydrophobicContact CD1-CB 4.22Å; L162-Q306 HydrophobicContact CD2-CB 3.77Å; L162-L307 HydrophobicContact CD2-CB 4.29Å; L162-L307 HydrophobicContact CD2-CD1 4.33Å; L162-L312 HydrophobicContact CD2-CD2 3.56Å
163	L	95.7	Very high	96.5	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-67.1	-41.6	176.2	-68	163.2	0	0	0	112.7	A159 Q160 M161 V165 I166 Y167 L307 L321 L327	A159-L163 WeakPolarHBondContact O-CD1 3.39Å; A159-L163 VanDerWaalsContact O-CG 3.27Å; A159-L163 WeakPolarHBondContact O-CG 3.49Å; A159-L163 PolarHBondContact O-N 3.07Å; A159-L163 VanDerWaalsContact O-N 3.12Å; Q160-L163 PolarHBondContact O-N 3.34Å; M161-L163 VanDerWaalsContact C-N 3.28Å; M161-L163 PolarHBondContact O-N 3.24Å; L163-V165 VanDerWaalsContact C-N 3.28Å; L163-V165 PolarHBondContact O-N 3.45Å; L163-I166 PolarHBondContact O-N 2.98Å; L163-Y167 WeakPolarHBondContact O-CB 3.49Å; L163-Y167 PolarHBondContact O-N 3.49Å; L163-L307 HydrophobicContact CD2-CD1 4.49Å; L163-L321 HydrophobicContact CD1-CD1 3.76Å; L163-L321 HydrophobicContact CD1-CD2 3.15Å; L163-L321 HydrophobicContact CD1-CG 3.96Å; L163-L321 HydrophobicContact CD2-CD1 4.47Å; L163-L321 HydrophobicContact CG-CD1 4.39Å; L163-L321 HydrophobicContact CG-CD2 4.45Å; L163-L327 HydrophobicContact CD2-CD2 4.26Å
164	A	96.5	Very high	96.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.5	-47.3	172.3	0	0	0	0	0	110.4	N113 V114 Q160 M161 Y167 L168	N113-A164 HydrophobicContact CB-CB 3.97Å; N113-A164 WeakPolarHBondContact O-CB 3.42Å; V114-A164 HydrophobicContact CG2-CB 3.8Å; Q160-A164 PolarHBondContact O-N 2.99Å; Q160-A164 VanDerWaalsContact O-N 3.12Å; M161-A164 WeakPolarHBondContact O-CB 3.33Å; M161-A164 PolarHBondContact O-N 3.09Å; A164-Y167 WeakPolarHBondContact O-CB 3.48Å; A164-Y167 PolarHBondContact O-N 3.19Å; A164-L168 VanDerWaalsContact O-CG 3.25Å; A164-L168 WeakPolarHBondContact O-CG 3.49Å; A164-L168 PolarHBondContact O-N 3.46Å
165	V	97.9	Very high	96.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.1	-43.6	179.6	172.7	0	0	0	0	112.1	M161 L162 L163 Y167 L168 H169 I178 D240 L241 L244	M161-V165 WeakPolarHBondContact O-CG2 3.45Å; M161-V165 PolarHBondContact O-N 2.91Å; L162-V165 PolarHBondContact O-N 3.28Å; L163-V165 VanDerWaalsContact C-N 3.28Å; L163-V165 PolarHBondContact O-N 3.45Å; V165-Y167 VanDerWaalsContact C-N 3.32Å; V165-Y167 PolarHBondContact O-N 3.03Å; V165-L168 PolarHBondContact O-N 2.94Å; V165-H169 WeakPolarHBondContact CG1-CE1 3.44Å; V165-H169 WeakPolarHBondContact CG1-NE2 3.41Å; V165-H169 WeakPolarHBondContact O-CB 3.18Å; V165-H169 PolarHBondContact O-CD2 3.2Å; V165-H169 VanDerWaalsContact O-CD2 3.29Å; V165-H169 PolarHBondContact O-N 2.89Å; V165-I178 HydrophobicContact CG2-CD1 3.58Å; V165-D240 HydrophobicContact CG1-CB 4.32Å; V165-L241 HydrophobicContact CG1-CD2 4.16Å; V165-L244 HydrophobicContact CB-CD1 4.16Å; V165-L244 HydrophobicContact CG1-CD1 4.23Å; V165-L244 HydrophobicContact CG2-CD1 3.95Å; V165-L244 HydrophobicContact CG2-CD2 4.32Å; V165-L244 HydrophobicContact CG2-CG 4.33Å
166	I	96.6	Very high	96.7	Very high	14 Å²	14	17.2 Å²	17.2	7%	0.072	8%	0.084	C	C	.	.	H	α-helix	trans	-57.5	-47.1	174.2	-72	166.1	0	0	0	110.7	L162 L163 L168 H169 N170 A303	L162-I166 HydrophobicContact CD1-CD1 4.43Å; L162-I166 HydrophobicContact CG-CD1 3.97Å; L162-I166 HydrophobicContact CG-CG1 4.49Å; L162-I166 VanDerWaalsContact O-CG1 3.26Å; L162-I166 WeakPolarHBondContact O-CG1 3.24Å; L162-I166 PolarHBondContact O-N 3.29Å; L163-I166 PolarHBondContact O-N 2.98Å; I166-L168 PolarHBondContact O-N 3.06Å; I166-H169 PolarHBondContact O-N 2.8Å; I166-N170 WeakPolarHBondContact O-CB 3.47Å; I166-N170 VanDerWaalsContact O-CG 3.24Å; I166-N170 PolarHBondContact O-N 2.86Å; I166-N170 PolarHBondContact O-ND2 3.29Å; I166-A303 HydrophobicContact CD1-CB 4.16Å; I166-A303 HydrophobicContact CG1-CB 3.53Å
167	Y	96.3	Very high	96.8	Very high	26 Å²	26	15.9 Å²	15.9	10%	0.102	7%	0.074	C	C	.	.	H	α-helix	trans	-59.1	-46.8	178.2	170.1	-90.5	0	0	0	111.7	E108 I109 C110 H111 L163 A164 V165 N170 K171	E108-Y167 PolarHBondContact O-OH 2.85Å; I109-Y167 HydrophobicContact CB-CE1 4.45Å; I109-Y167 HydrophobicContact CG1-CE1 4.37Å; I109-Y167 HydrophobicContact CG2-CE1 4.11Å; C110-Y167 PolarHBondContact N-OH 3.16Å; H111-Y167 HydrophobicContact CB-CD1 3.69Å; H111-Y167 HydrophobicContact CB-CD2 4.32Å; H111-Y167 HydrophobicContact CB-CE1 3.86Å; H111-Y167 HydrophobicContact CB-CE2 4.43Å; H111-Y167 HydrophobicContact CB-CG 3.95Å; H111-Y167 AromaticContact CD2-CD2 3.79Å; H111-Y167 AromaticContact CD2-CG 3.59Å; H111-Y167 AromaticContact CG-CG 3.9Å; L163-Y167 WeakPolarHBondContact O-CB 3.49Å; L163-Y167 PolarHBondContact O-N 3.49Å; A164-Y167 WeakPolarHBondContact O-CB 3.48Å; A164-Y167 PolarHBondContact O-N 3.19Å; V165-Y167 VanDerWaalsContact C-N 3.32Å; V165-Y167 PolarHBondContact O-N 3.03Å; Y167-N170 PolarHBondContact O-N 2.9Å; Y167-K171 HydrophobicContact CE1-CD 3.97Å; Y167-K171 HydrophobicContact CE2-CD 4.39Å; Y167-K171 PolarHBondContact O-N 2.88Å; Y167-K171 WeakPolarHBondContact OH-CD 3.47Å; Y167-K171 WeakPolarHBondContact OH-CE 3.15Å
168	L	97.5	Very high	96.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.8	-46.8	178.3	-67.4	174.6	0	0	0	111.5	I109 A164 V165 I166 N170 K171 F172 I173 L193 F196	I109-L168 HydrophobicContact CD1-CD2 3.41Å; I109-L168 VanDerWaalsContact CD1-CD2 3.41Å; I109-L168 HydrophobicContact CG1-CD2 3.66Å; I109-L168 HydrophobicContact CG2-CD2 4.49Å; A164-L168 VanDerWaalsContact O-CG 3.25Å; A164-L168 WeakPolarHBondContact O-CG 3.49Å; A164-L168 PolarHBondContact O-N 3.46Å; V165-L168 PolarHBondContact O-N 2.94Å; I166-L168 PolarHBondContact O-N 3.06Å; L168-N170 VanDerWaalsContact C-N 3.3Å; L168-N170 PolarHBondContact O-N 3.29Å; L168-K171 CarbonylContact O-C 3.59Å; L168-K171 WeakPolarHBondContact O-CA 3.3Å; L168-K171 WeakPolarHBondContact O-CB 3.45Å; L168-K171 PolarHBondContact O-N 2.91Å; L168-F172 PolarHBondContact O-N 3.37Å; L168-I173 CarbonylContact C-O 3.58Å; L168-I173 VanDerWaalsContact C-O 3.26Å; L168-I173 HydrophobicContact CB-CB 4.27Å; L168-I173 WeakPolarHBondContact CB-O 3.28Å; L168-I173 HydrophobicContact CD2-CB 4.36Å; L168-I173 HydrophobicContact CD2-CG2 4.18Å; L168-I173 PolarHBondContact O-N 2.92Å; L168-L193 HydrophobicContact CD1-CD2 3.86Å; L168-F196 HydrophobicContact CD1-CE1 3.87Å; L168-F196 HydrophobicContact CD1-CZ 3.95Å; L168-F196 HydrophobicContact CD2-CE1 3.85Å; L168-F196 HydrophobicContact CD2-CZ 4.17Å
169	H	96.9	Very high	96.8	Very high	25 Å²	25	17.1 Å²	17.1	12%	0.116	8%	0.08	C	C	.	.	H	α-helix	trans	-63.8	-35.5	-179.3	-69.2	-170.2	0	0	0	112	V165 I166 K171 F172 I173 F237 D240	V165-H169 WeakPolarHBondContact CG1-CE1 3.44Å; V165-H169 WeakPolarHBondContact CG1-NE2 3.41Å; V165-H169 WeakPolarHBondContact O-CB 3.18Å; V165-H169 PolarHBondContact O-CD2 3.2Å; V165-H169 VanDerWaalsContact O-CD2 3.29Å; V165-H169 PolarHBondContact O-N 2.89Å; I166-H169 PolarHBondContact O-N 2.8Å; H169-K171 PolarHBondContact O-N 2.69Å; H169-F172 WeakPolarHBondContact O-CA 3.12Å; H169-F172 PolarHBondContact O-N 3.04Å; H169-I173 PolarHBondContact CD2-O 2.83Å; H169-F237 HydrophobicContact CB-CD1 4.13Å; H169-F237 AromaticContact CD2-CD1 3.46Å; H169-F237 VanDerWaalsContact CD2-CD1 3.46Å; H169-F237 WeakPolarHBondContact CD2-CD1 3.43Å; H169-F237 PolarHBondContact CE1-O 3.36Å; H169-F237 VanDerWaalsContact CE1-O 3.25Å; H169-F237 AromaticContact CG-CD1 3.66Å; H169-F237 AromaticContact NE2-CD1 3.75Å; H169-D240 IonicContact CD2-OD2 4Å; H169-D240 IonicContact CE1-OD2 3.56Å; H169-D240 IonicContact NE2-OD2 3.56Å; H169-D240 PolarHBondContact NE2-OD2 2.84Å
170	N	96	Very high	96.9	Very high	94 Å²	94	17.1 Å²	17.1	50%	0.503	8%	0.079	S	C	.	.	H	α-helix	trans	-67.6	-20.9	173.1	-73.8	-12.8	0	0	0	113.4	I166 Y167 L168 F172	I166-N170 WeakPolarHBondContact O-CB 3.47Å; I166-N170 VanDerWaalsContact O-CG 3.24Å; I166-N170 PolarHBondContact O-N 2.86Å; I166-N170 PolarHBondContact O-ND2 3.29Å; Y167-N170 PolarHBondContact O-N 2.9Å; L168-N170 VanDerWaalsContact C-N 3.3Å; L168-N170 PolarHBondContact O-N 3.29Å; N170-F172 VanDerWaalsContact C-N 3.32Å
171	K	95.3	Very high	96.9	Very high	51 Å²	51	20 Å²	20	22%	0.222	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	9.7	169.2	-81	-175.3	159	-82.3	0	112.9	E108 Y167 L168 H169 I173	E108-K171 WeakPolarHBondContact O-CD 3.48Å; E108-K171 WeakPolarHBondContact O-CE 3.44Å; E108-K171 PolarHBondContact O-NZ 2.99Å; E108-K171 VanDerWaalsContact O-NZ 3.14Å; E108-K171 IonicContact OE2-NZ 3.4Å; E108-K171 PolarHBondContact OE2-NZ 2.78Å; Y167-K171 HydrophobicContact CE1-CD 3.97Å; Y167-K171 HydrophobicContact CE2-CD 4.39Å; Y167-K171 PolarHBondContact O-N 2.88Å; Y167-K171 WeakPolarHBondContact OH-CD 3.47Å; Y167-K171 WeakPolarHBondContact OH-CE 3.15Å; L168-K171 CarbonylContact O-C 3.59Å; L168-K171 WeakPolarHBondContact O-CA 3.3Å; L168-K171 WeakPolarHBondContact O-CB 3.45Å; L168-K171 PolarHBondContact O-N 2.91Å; H169-K171 PolarHBondContact O-N 2.69Å; K171-I173 HydrophobicContact CB-CD1 4.14Å; K171-I173 HydrophobicContact CB-CG1 4.23Å; K171-I173 PolarHBondContact O-N 3.11Å
172	F	96.9	Very high	96.9	Very high	73 Å²	73	20.5 Å²	20.5	32%	0.32	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	27.2	-174.1	-48.1	-51.2	0	0	0	113.7	L168 H169 N170 Q201 L202 I203 S205 F237	L168-F172 PolarHBondContact O-N 3.37Å; H169-F172 WeakPolarHBondContact O-CA 3.12Å; H169-F172 PolarHBondContact O-N 3.04Å; N170-F172 VanDerWaalsContact C-N 3.32Å; F172-Q201 CarbonylContact O-C 3.59Å; F172-Q201 WeakPolarHBondContact O-CA 3.33Å; F172-L202 HydrophobicContact CB-CB 4.31Å; F172-L202 WeakPolarHBondContact CB-O 3.26Å; F172-L202 PolarHBondContact O-N 3.31Å; F172-I203 WeakPolarHBondContact CD2-O 3.38Å; F172-S205 VanDerWaalsContact CD1-N 3.33Å; F172-F237 HydrophobicContact CB-CZ 4.32Å
173	I	97.3	Very high	96.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.2	175.2	-61.3	172	0	0	0	108.8	C105 E108 I109 L168 H169 K171 F196 V200 Q201	C105-I173 HydrophobicContact CB-CD1 4.39Å; C105-I173 HydrophobicContact CB-CG2 4.43Å; E108-I173 HydrophobicContact CB-CD1 4.37Å; I109-I173 HydrophobicContact CD1-CD1 4.04Å; I109-I173 HydrophobicContact CG1-CD1 3.91Å; L168-I173 CarbonylContact C-O 3.58Å; L168-I173 VanDerWaalsContact C-O 3.26Å; L168-I173 HydrophobicContact CB-CB 4.27Å; L168-I173 WeakPolarHBondContact CB-O 3.28Å; L168-I173 HydrophobicContact CD2-CB 4.36Å; L168-I173 HydrophobicContact CD2-CG2 4.18Å; L168-I173 PolarHBondContact O-N 2.92Å; H169-I173 PolarHBondContact CD2-O 2.83Å; K171-I173 HydrophobicContact CB-CD1 4.14Å; K171-I173 HydrophobicContact CB-CG1 4.23Å; K171-I173 PolarHBondContact O-N 3.11Å; I173-F196 HydrophobicContact CG2-CE1 4.47Å; I173-V200 CarbonylContact C-O 3.1Å; I173-V200 VanDerWaalsContact CA-O 3.31Å; I173-V200 WeakPolarHBondContact CA-O 3.4Å; I173-Q201 HydrophobicContact CG1-CB 4.03Å; I173-Q201 HydrophobicContact CG1-CG 3.84Å
174	A	97.5	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.8	167	0	0	0	0	0	109.4	R176 S199 V200 P236 F237 D240	A174-R176 HydrophobicContact CB-CG 4Å; A174-S199 WeakPolarHBondContact O-CA 3.11Å; A174-S199 WeakPolarHBondContact O-CB 3.19Å; A174-V200 HydrophobicContact CB-CG1 4.25Å; A174-V200 PolarHBondContact N-O 2.94Å; A174-V200 PolarHBondContact O-N 3.17Å; A174-P236 HydrophobicContact CB-CB 3.68Å; A174-P236 HydrophobicContact CB-CG 4.02Å; A174-F237 HydrophobicContact CB-CD1 3.94Å; A174-F237 HydrophobicContact CB-CE1 4.01Å; A174-D240 WeakPolarHBondContact CA-OD2 3.4Å
175	H	97.7	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.111	C	C	.	.			trans	-78.5	-43.6	-178	-174.6	-87.7	0	0	0	112.1	D177 I178 L193 C194 D195 F196 F198 S199 D240	H175-D177 PolarHBondContact CE1-O 3.38Å; H175-D177 VanDerWaalsContact CE1-O 3.32Å; H175-D177 PolarHBondContact ND1-N 3.16Å; H175-D177 PolarHBondContact O-N 3.46Å; H175-I178 HydrophobicContact CB-CD1 4.32Å; H175-I178 HydrophobicContact CB-CG1 3.98Å; H175-I178 PolarHBondContact ND1-N 2.93Å; H175-L193 HydrophobicContact CB-CD2 4.31Å; H175-C194 PolarHBondContact NE2-O 3Å; H175-D195 PolarHBondContact CE1-O 3.03Å; H175-D195 PolarHBondContact NE2-O 3.44Å; H175-D195 VanDerWaalsContact NE2-O 3.11Å; H175-F196 AromaticContact CD2-CD1 3.98Å; H175-F196 AromaticContact CD2-CE1 3.76Å; H175-F196 AromaticContact CD2-CZ 3.79Å; H175-F198 CarbonylContact O-C 3.26Å; H175-S199 PolarHBondContact O-N 3.41Å; H175-D240 PolarHBondContact N-OD1 2.79Å; H175-D240 PolarHBondContact N-OD2 3.25Å
176	R	96.9	Very high	96.7	Very high	24 Å²	24	25.4 Å²	25.4	9%	0.091	12%	0.12	C	C	.	.			trans	63.8	-2.2	177.3	-53.6	-171	-65.3	170.2	-2.4	116.9	A174 F198 D211 C213 G214 P236 D240	A174-R176 HydrophobicContact CB-CG 4Å; R176-F198 HydrophobicContact CB-CB 4.45Å; R176-F198 PolarHBondContact NE-O 3.39Å; R176-F198 PolarHBondContact NH2-O 3.49Å; R176-D211 PolarHBondContact NH1-O 2.94Å; R176-C213 PolarHBondContact NE-SG 3.44Å; R176-C213 VanDerWaalsContact NE-SG 3.4Å; R176-C213 PolarHBondContact NH1-SG 3.12Å; R176-G214 WeakPolarHBondContact O-CA 3.06Å; R176-P236 HydrophobicContact CG-CB 4.2Å; R176-D240 WeakPolarHBondContact CA-OD1 3.43Å; R176-D240 PolarHBondContact N-OD1 3.07Å
177	D	96.5	Very high	96.3	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.032	15%	0.148	C	C	.	.			trans	-135.7	44.5	173.8	-153.4	34.9	0	0	0	114.4	H175 K179 N182 F198 S215	H175-D177 PolarHBondContact CE1-O 3.38Å; H175-D177 VanDerWaalsContact CE1-O 3.32Å; H175-D177 PolarHBondContact ND1-N 3.16Å; H175-D177 PolarHBondContact O-N 3.46Å; D177-K179 PolarHBondContact O-N 3.45Å; D177-K179 IonicContact OD1-NZ 2.69Å; D177-K179 WeakPolarHBondContact OD2-CE 3.43Å; D177-K179 IonicContact OD2-NZ 3.26Å; D177-K179 PolarHBondContact OD2-NZ 3.28Å; D177-N182 PolarHBondContact O-ND2 2.93Å; D177-N182 PolarHBondContact OD2-ND2 3.18Å; D177-N182 VanDerWaalsContact OD2-ND2 3.16Å; D177-F198 HydrophobicContact CB-CB 4.29Å; D177-F198 HydrophobicContact CB-CD2 3.7Å; D177-F198 HydrophobicContact CB-CG 4.44Å; D177-S215 VanDerWaalsContact OD1-CB 3.27Å; D177-S215 WeakPolarHBondContact OD1-CB 3.13Å; D177-S215 PolarHBondContact OD1-N 3.01Å; D177-S215 PolarHBondContact OD1-OG 3.12Å; D177-S215 PolarHBondContact OD2-OG 3.13Å
178	I	98.3	Very high	95.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.174	C	C	.	.			trans	-73	114.8	177.4	-60.6	175.6	0	0	0	109.2	M161 V165 H175 L193 Y218 D240 S243 L244 L247	M161-I178 HydrophobicContact CE-CG2 4.24Å; V165-I178 HydrophobicContact CG2-CD1 3.58Å; H175-I178 HydrophobicContact CB-CD1 4.32Å; H175-I178 HydrophobicContact CB-CG1 3.98Å; H175-I178 PolarHBondContact ND1-N 2.93Å; I178-L193 HydrophobicContact CG1-CD1 4.31Å; I178-L193 HydrophobicContact CG1-CD2 4.47Å; I178-Y218 WeakPolarHBondContact O-CB 3.26Å; I178-D240 HydrophobicContact CD1-CB 3.84Å; I178-S243 WeakPolarHBondContact O-CB 3.49Å; I178-L244 HydrophobicContact CD1-CG 4.45Å; I178-L244 HydrophobicContact CG2-CD2 4.24Å; I178-L247 HydrophobicContact CG2-CD2 4.15Å
179	K	96.7	Very high	95.5	Very high	31 Å²	31	38.6 Å²	38.6	14%	0.135	18%	0.184	C	C	.	.			trans	-154.5	161.3	179.3	63.1	-172.3	-176.5	-152.5	0	110.2	D177 E181 N182 V183 S215 Y218	D177-K179 PolarHBondContact O-N 3.45Å; D177-K179 IonicContact OD1-NZ 2.69Å; D177-K179 WeakPolarHBondContact OD2-CE 3.43Å; D177-K179 IonicContact OD2-NZ 3.26Å; D177-K179 PolarHBondContact OD2-NZ 3.28Å; K179-E181 WeakPolarHBondContact CB-OE2 3.39Å; K179-E181 HydrophobicContact CD-CB 4.48Å; K179-E181 HydrophobicContact CG-CB 4.24Å; K179-E181 VanDerWaalsContact CG-OE2 3.3Å; K179-E181 WeakPolarHBondContact CG-OE2 3.17Å; K179-E181 PolarHBondContact O-N 3.07Å; K179-E181 VanDerWaalsContact O-N 3.12Å; K179-N182 WeakPolarHBondContact CE-ND2 3.49Å; K179-N182 HydrophobicContact CG-CB 4.14Å; K179-N182 PolarHBondContact O-N 2.82Å; K179-V183 WeakPolarHBondContact O-CG2 3.28Å; K179-V183 PolarHBondContact O-N 2.76Å; K179-S215 PolarHBondContact NZ-OG 3.46Å; K179-Y218 HydrophobicContact CB-CD1 4.44Å; K179-Y218 HydrophobicContact CB-CD2 3.54Å; K179-Y218 HydrophobicContact CB-CE2 3.86Å; K179-Y218 HydrophobicContact CB-CG 3.88Å
180	P	97.2	Very high	95.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-59	-26.9	-174.9	-21.9	30.2	0	0	0	114.5	L139 L140 N182 V183 Y218 L247 F250	L139-P180 HydrophobicContact CB-CB 4.33Å; L139-P180 WeakPolarHBondContact CB-O 3.38Å; L139-P180 PolarHBondContact N-O 3.42Å; L139-P180 VanDerWaalsContact N-O 3.08Å; L140-P180 HydrophobicContact CB-CB 3.8Å; L140-P180 HydrophobicContact CD1-CB 4.13Å; L140-P180 HydrophobicContact CD1-CG 4.42Å; L140-P180 PolarHBondContact N-O 3.37Å; P180-N182 VanDerWaalsContact C-N 3.3Å; P180-V183 PolarHBondContact O-N 3.48Å; P180-Y218 WeakPolarHBondContact CD-OH 3.46Å; P180-Y218 HydrophobicContact CG-CE1 4.04Å; P180-Y218 HydrophobicContact CG-CE2 4.44Å; P180-Y218 WeakPolarHBondContact CG-OH 3.17Å; P180-L247 HydrophobicContact CB-CD1 4.19Å; P180-L247 HydrophobicContact CG-CD1 3.62Å; P180-F250 HydrophobicContact CB-CD1 4.1Å; P180-F250 HydrophobicContact CB-CE1 3.69Å; P180-F250 HydrophobicContact CB-CZ 4.43Å; P180-F250 HydrophobicContact CG-CD1 3.39Å; P180-F250 HydrophobicContact CG-CE1 3.44Å; P180-F250 VanDerWaalsContact CG-CE1 3.44Å; P180-F250 HydrophobicContact CG-CG 4.09Å; P180-F250 HydrophobicContact CG-CZ 4.19Å
181	E	95.8	Very high	95.4	Very high	75 Å²	75	34 Å²	34	35%	0.35	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-66.1	-32.6	174.6	-61.1	89.6	154.9	0	0	112.6	L140 K179	L140-E181 HydrophobicContact CB-CG 4.23Å; L140-E181 HydrophobicContact CD2-CG 3.74Å; K179-E181 WeakPolarHBondContact CB-OE2 3.39Å; K179-E181 HydrophobicContact CD-CB 4.48Å; K179-E181 HydrophobicContact CG-CB 4.24Å; K179-E181 VanDerWaalsContact CG-OE2 3.3Å; K179-E181 WeakPolarHBondContact CG-OE2 3.17Å; K179-E181 PolarHBondContact O-N 3.07Å; K179-E181 VanDerWaalsContact O-N 3.12Å
182	N	97.3	Very high	95.4	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.053	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-94.9	5.8	-177.9	-69.5	-1.8	0	0	0	112.3	D177 K179 P180 L193 C194	D177-N182 PolarHBondContact O-ND2 2.93Å; D177-N182 PolarHBondContact OD2-ND2 3.18Å; D177-N182 VanDerWaalsContact OD2-ND2 3.16Å; K179-N182 WeakPolarHBondContact CE-ND2 3.49Å; K179-N182 HydrophobicContact CG-CB 4.14Å; K179-N182 PolarHBondContact O-N 2.82Å; P180-N182 VanDerWaalsContact C-N 3.3Å; N182-L193 WeakPolarHBondContact O-CD1 3.27Å; N182-C194 PolarHBondContact O-N 3.44Å; N182-C194 PolarHBondContact O-SG 3.03Å; N182-C194 VanDerWaalsContact O-SG 3.33Å
183	V	98.4	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.1	176.1	179.1	0	0	0	0	108.2	D138 L139 M161 K179 P180 I191 L193 L247	D138-V183 CarbonylContact C-O 3.56Å; D138-V183 WeakPolarHBondContact CA-O 3.49Å; L139-V183 HydrophobicContact CB-CB 3.97Å; L139-V183 HydrophobicContact CB-CG1 4.06Å; L139-V183 VanDerWaalsContact CB-O 3.29Å; L139-V183 WeakPolarHBondContact CB-O 3.42Å; L139-V183 HydrophobicContact CD2-CB 4.1Å; L139-V183 HydrophobicContact CD2-CG1 3.79Å; L139-V183 PolarHBondContact N-O 2.84Å; M161-V183 HydrophobicContact CE-CG2 3.63Å; M161-V183 HydrophobicContact CG-CG1 4.32Å; M161-V183 HydrophobicContact SD-CB 4.38Å; M161-V183 HydrophobicContact SD-CG1 3.68Å; M161-V183 HydrophobicContact SD-CG2 3.8Å; K179-V183 WeakPolarHBondContact O-CG2 3.28Å; K179-V183 PolarHBondContact O-N 2.76Å; P180-V183 PolarHBondContact O-N 3.48Å; V183-I191 HydrophobicContact CG1-CG2 3.49Å; V183-I191 VanDerWaalsContact CG1-CG2 3.49Å; V183-L193 HydrophobicContact CG2-CD1 4.47Å; V183-L247 HydrophobicContact CG2-CD2 4.03Å
184	L	97.8	Very high	95.5	Very high	31 Å²	31	30.3 Å²	30.3	16%	0.162	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	143.7	179	-53.9	-180	0	0	0	110.4	V115 V134 G137 D138 I191 K192 C194	V115-L184 HydrophobicContact CG2-CD1 4.02Å; V134-L184 HydrophobicContact CB-CB 3.77Å; V134-L184 HydrophobicContact CB-CD1 3.82Å; V134-L184 HydrophobicContact CB-CG 4.43Å; V134-L184 HydrophobicContact CG1-CB 3.76Å; V134-L184 HydrophobicContact CG2-CB 4.08Å; V134-L184 HydrophobicContact CG2-CD1 3.79Å; G137-L184 WeakPolarHBondContact O-CA 3.35Å; D138-L184 HydrophobicContact CB-CD2 4.14Å; L184-I191 CarbonylContact O-C 3.58Å; L184-I191 WeakPolarHBondContact O-CA 3.37Å; L184-K192 PolarHBondContact N-O 3.3Å; L184-K192 PolarHBondContact O-N 3.24Å; L184-C194 HydrophobicContact CD1-CB 4.03Å; L184-C194 HydrophobicContact CG-CB 4.31Å
185	R	95.5	Very high	95.3	Very high	48 Å²	48	33.3 Å²	33.3	18%	0.181	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.4	176.7	179	177.1	177.3	-74	2.6	108.9	G136 G137 I191	G136-R185 CarbonylContact C-O 3.57Å; G136-R185 WeakPolarHBondContact CA-O 3.45Å; G136-R185 PolarHBondContact N-O 3.45Å; G137-R185 PolarHBondContact O-N 3.18Å; R185-I191 HydrophobicContact CB-CD1 3.7Å; R185-I191 HydrophobicContact CG-CD1 3.7Å
186	S	91.5	Very high	95.1	Very high	26 Å²	26	33.4 Å²	33.4	18%	0.182	16%	0.164	C	C	.	.			trans	-75	164.1	169.5	67.4	0	0	0	0	111.4	R188 G189 V190	S186-R188 PolarHBondContact O-N 2.77Å; S186-G189 PolarHBondContact O-N 2.99Å; S186-G189 PolarHBondContact OG-N 3.14Å; S186-V190 PolarHBondContact N-O 2.83Å; S186-V190 WeakPolarHBondContact OG-CA 3.28Å; S186-V190 VanDerWaalsContact OG-CB 3.31Å; S186-V190 WeakPolarHBondContact OG-CB 3.25Å; S186-V190 PolarHBondContact OG-N 3.3Å; S186-V190 PolarHBondContact OG-O 3.3Å
187	D	88.6	Confident	94.9	Very high	125 Å²	125	33 Å²	33	67%	0.668	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.1	176.3	-57.5	-39.4	0	0	0	112.6	G136 G189	G136-D187 WeakPolarHBondContact CA-OD1 3.43Å; D187-G189 VanDerWaalsContact C-N 3.28Å; D187-G189 PolarHBondContact O-N 3.4Å
188	R	88.4	Confident	94.7	Very high	172 Å²	172	36.9 Å²	36.9	65%	0.649	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	1.9	175.3	-60.6	-176.4	179.8	-169	-5.5	113.9	S186 V190 N362	S186-R188 PolarHBondContact O-N 2.77Å; R188-V190 PolarHBondContact O-N 3.13Å; R188-N362 PolarHBondContact NH1-OD1 3.08Å; R188-N362 PolarHBondContact NH2-OD1 3.4Å
189	G	89.1	Confident	94.6	Very high	20 Å²	20	37 Å²	37	21%	0.206	19%	0.185	C	C	.	.			trans	81.3	7.4	179.1	0	0	0	0	0	115.5	Q160 S186 D187	Q160-G189 PolarHBondContact NE2-O 3.17Å; Q160-G189 VanDerWaalsContact NE2-O 3.13Å; S186-G189 PolarHBondContact O-N 2.99Å; S186-G189 PolarHBondContact OG-N 3.14Å; D187-G189 VanDerWaalsContact C-N 3.28Å; D187-G189 PolarHBondContact O-N 3.4Å
190	V	93.1	Very high	94.5	Very high	23 Å²	23	36.5 Å²	36.5	14%	0.139	18%	0.184	C	C	.	.			trans	-69.8	129.6	168.7	-177.3	0	0	0	0	109.3	S186 R188	S186-V190 PolarHBondContact N-O 2.83Å; S186-V190 WeakPolarHBondContact OG-CA 3.28Å; S186-V190 VanDerWaalsContact OG-CB 3.31Å; S186-V190 WeakPolarHBondContact OG-CB 3.25Å; S186-V190 PolarHBondContact OG-N 3.3Å; S186-V190 PolarHBondContact OG-O 3.3Å; R188-V190 PolarHBondContact O-N 3.13Å
191	I	96.8	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.4	-179.2	-58.5	-60.1	0	0	0	110.3	N113 I157 Q160 M161 V183 L184 R185	N113-I191 WeakPolarHBondContact CA-O 3.45Å; N113-I191 WeakPolarHBondContact CB-O 3.23Å; N113-I191 PolarHBondContact ND2-O 2.92Å; I157-I191 HydrophobicContact CB-CD1 4.42Å; I157-I191 HydrophobicContact CB-CG1 4.24Å; I157-I191 HydrophobicContact CD1-CD1 4.46Å; I157-I191 HydrophobicContact CG1-CD1 3.92Å; I157-I191 HydrophobicContact CG1-CG1 4.09Å; I157-I191 HydrophobicContact CG2-CD1 4Å; I157-I191 HydrophobicContact CG2-CG1 3.98Å; I157-I191 HydrophobicContact CG2-CG2 4.44Å; Q160-I191 HydrophobicContact CB-CB 3.92Å; Q160-I191 HydrophobicContact CB-CG1 4.31Å; M161-I191 HydrophobicContact CG-CG2 3.89Å; M161-I191 HydrophobicContact SD-CG2 3.49Å; M161-I191 WeakPolarHBondContact SD-CG2 3.44Å; V183-I191 HydrophobicContact CG1-CG2 3.49Å; V183-I191 VanDerWaalsContact CG1-CG2 3.49Å; L184-I191 CarbonylContact O-C 3.58Å; L184-I191 WeakPolarHBondContact O-CA 3.37Å; R185-I191 HydrophobicContact CB-CD1 3.7Å; R185-I191 HydrophobicContact CG-CD1 3.7Å
192	K	97.2	Very high	94.3	Very high	25 Å²	25	37.3 Å²	37.3	11%	0.109	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123.5	177.9	-67.9	177.5	174.6	-85.3	0	111	P112 N113 V115 E132 V134 L184	P112-K192 WeakPolarHBondContact O-CE 3.44Å; P112-K192 PolarHBondContact O-NZ 3.03Å; N113-K192 WeakPolarHBondContact O-CA 3.34Å; V115-K192 HydrophobicContact CG2-CB 3.96Å; E132-K192 HydrophobicContact CG-CD 4.46Å; E132-K192 WeakPolarHBondContact OE1-CE 3.27Å; E132-K192 IonicContact OE1-NZ 3.75Å; E132-K192 PolarHBondContact OE1-NZ 3.21Å; E132-K192 WeakPolarHBondContact OE2-CD 3.34Å; E132-K192 VanDerWaalsContact OE2-CE 3.28Å; E132-K192 WeakPolarHBondContact OE2-CE 3.33Å; E132-K192 IonicContact OE2-NZ 2.92Å; E132-K192 PolarHBondContact OE2-NZ 2.72Å; V134-K192 HydrophobicContact CG2-CB 4.22Å; V134-K192 HydrophobicContact CG2-CD 3.59Å; V134-K192 HydrophobicContact CG2-CG 4.45Å; L184-K192 PolarHBondContact N-O 3.3Å; L184-K192 PolarHBondContact O-N 3.24Å
193	L	98.4	Very high	94	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	137.5	169.6	-179	62.7	0	0	0	109.9	N113 V115 M161 L168 H175 I178 N182 V183 F196	N113-L193 PolarHBondContact O-N 3.46Å; V115-L193 PolarHBondContact N-O 3.38Å; M161-L193 HydrophobicContact CE-CB 4.03Å; M161-L193 HydrophobicContact CE-CD1 3.85Å; M161-L193 HydrophobicContact CE-CD2 4.32Å; M161-L193 HydrophobicContact CE-CG 4.28Å; M161-L193 HydrophobicContact SD-CB 4.42Å; L168-L193 HydrophobicContact CD1-CD2 3.86Å; H175-L193 HydrophobicContact CB-CD2 4.31Å; I178-L193 HydrophobicContact CG1-CD1 4.31Å; I178-L193 HydrophobicContact CG1-CD2 4.47Å; N182-L193 WeakPolarHBondContact O-CD1 3.27Å; V183-L193 HydrophobicContact CG2-CD1 4.47Å; L193-F196 HydrophobicContact CD2-CZ 4.4Å; L193-F196 HydrophobicContact CG-CZ 4.5Å
194	C	96.1	Very high	93.7	Very high	20 Å²	20	46.8 Å²	46.8	14%	0.135	24%	0.24	C	C	.	.			trans	-137	178.6	179.8	74.1	0	0	0	0	111.6	V115 H175 N182 L184	V115-C194 HydrophobicContact CB-CB 4.09Å; V115-C194 HydrophobicContact CG2-CB 3.56Å; H175-C194 PolarHBondContact NE2-O 3Å; N182-C194 PolarHBondContact O-N 3.44Å; N182-C194 PolarHBondContact O-SG 3.03Å; N182-C194 VanDerWaalsContact O-SG 3.33Å; L184-C194 HydrophobicContact CD1-CB 4.03Å; L184-C194 HydrophobicContact CG-CB 4.31Å
195	D	93.8	Very high	93.2	Very high	64 Å²	64	48 Å²	48	34%	0.342	25%	0.25	S	S	.	.			trans	61.3	80.1	178.6	-161.8	18.6	0	0	0	115.3	K83 H175 G197	K83-D195 IonicContact NZ-OD1 3.1Å; K83-D195 PolarHBondContact NZ-OD1 3.41Å; H175-D195 PolarHBondContact CE1-O 3.03Å; H175-D195 PolarHBondContact NE2-O 3.44Å; H175-D195 VanDerWaalsContact NE2-O 3.11Å; D195-G197 PolarHBondContact O-N 3.35Å
196	F	94.9	Very high	92.8	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	28%	0.277	C	S	.	.			trans	-88.4	18.7	-178.1	-78.2	-103.6	0	0	0	112.6	E102 C105 L106 I109 V114 L168 I173 H175 L193 F198 S199	E102-F196 HydrophobicContact CG-CB 4.01Å; C105-F196 HydrophobicContact CB-CD1 4.49Å; L106-F196 HydrophobicContact CD1-CB 4.48Å; L106-F196 HydrophobicContact CD2-CB 4.2Å; L106-F196 HydrophobicContact CD2-CD2 3.57Å; L106-F196 HydrophobicContact CD2-CE2 4.12Å; L106-F196 HydrophobicContact CD2-CG 3.87Å; L106-F196 HydrophobicContact CG-CB 4.09Å; L106-F196 HydrophobicContact CG-CD2 4.39Å; L106-F196 HydrophobicContact CG-CG 4.25Å; I109-F196 HydrophobicContact CD1-CD1 3.86Å; I109-F196 HydrophobicContact CD1-CE1 3.38Å; I109-F196 HydrophobicContact CD1-CZ 3.83Å; V114-F196 HydrophobicContact CG1-CE2 3.51Å; V114-F196 HydrophobicContact CG1-CZ 3.4Å; V114-F196 VanDerWaalsContact CG1-CZ 3.4Å; L168-F196 HydrophobicContact CD1-CE1 3.87Å; L168-F196 HydrophobicContact CD1-CZ 3.95Å; L168-F196 HydrophobicContact CD2-CE1 3.85Å; L168-F196 HydrophobicContact CD2-CZ 4.17Å; I173-F196 HydrophobicContact CG2-CE1 4.47Å; H175-F196 AromaticContact CD2-CD1 3.98Å; H175-F196 AromaticContact CD2-CE1 3.76Å; H175-F196 AromaticContact CD2-CZ 3.79Å; L193-F196 HydrophobicContact CD2-CZ 4.4Å; L193-F196 HydrophobicContact CG-CZ 4.5Å; F196-F198 PolarHBondContact O-N 3.45Å; F196-S199 VanDerWaalsContact O-CB 3.28Å; F196-S199 WeakPolarHBondContact O-CB 3.5Å; F196-S199 PolarHBondContact O-N 3.48Å; F196-S199 PolarHBondContact O-OG 2.94Å
197	G	91.5	Very high	92.8	Very high	15 Å²	15	53.4 Å²	53.4	16%	0.155	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.6	-176.9	0	0	0	0	0	114.6	V98 D195	V98-G197 WeakPolarHBondContact CG1-O 3.31Å; D195-G197 PolarHBondContact O-N 3.35Å
198	F	92.6	Very high	93	Very high	88 Å²	88	52 Å²	52	39%	0.386	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	6.8	170.8	-63.9	-24.9	0	0	0	113	H175 R176 D177 F196 C213	H175-F198 CarbonylContact O-C 3.26Å; R176-F198 HydrophobicContact CB-CB 4.45Å; R176-F198 PolarHBondContact NE-O 3.39Å; R176-F198 PolarHBondContact NH2-O 3.49Å; D177-F198 HydrophobicContact CB-CB 4.29Å; D177-F198 HydrophobicContact CB-CD2 3.7Å; D177-F198 HydrophobicContact CB-CG 4.44Å; F196-F198 PolarHBondContact O-N 3.45Å; F198-C213 HydrophobicContact CB-CB 4.24Å; F198-C213 HydrophobicContact CD1-CB 4.27Å; F198-C213 HydrophobicContact CD2-CB 4.12Å; F198-C213 HydrophobicContact CG-CB 3.97Å
199	S	95.2	Very high	93.1	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.021	25%	0.248	C	C	.	.			trans	-68.3	156.5	-178.7	70.4	0	0	0	0	112.2	Q101 C105 A174 H175 F196	Q101-S199 WeakPolarHBondContact CG-O 3.41Å; C105-S199 WeakPolarHBondContact CB-OG 3.43Å; C105-S199 PolarHBondContact SG-OG 2.91Å; A174-S199 WeakPolarHBondContact O-CA 3.11Å; A174-S199 WeakPolarHBondContact O-CB 3.19Å; H175-S199 PolarHBondContact O-N 3.41Å; F196-S199 VanDerWaalsContact O-CB 3.28Å; F196-S199 WeakPolarHBondContact O-CB 3.5Å; F196-S199 PolarHBondContact O-N 3.48Å; F196-S199 PolarHBondContact O-OG 2.94Å
200	V	94.7	Very high	93	Very high	20 Å²	20	46.9 Å²	46.9	12%	0.121	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.4	171.2	63.9	0	0	0	0	109.2	I173 A174 L202 I209	I173-V200 CarbonylContact C-O 3.1Å; I173-V200 VanDerWaalsContact CA-O 3.31Å; I173-V200 WeakPolarHBondContact CA-O 3.4Å; A174-V200 HydrophobicContact CB-CG1 4.25Å; A174-V200 PolarHBondContact N-O 2.94Å; A174-V200 PolarHBondContact O-N 3.17Å; V200-L202 HydrophobicContact CG1-CD2 4.16Å; V200-L202 HydrophobicContact CG1-CG 4.39Å; V200-L202 HydrophobicContact CG2-CD2 3.88Å; V200-I209 HydrophobicContact CG1-CD1 4.38Å
201	Q	94.6	Very high	92.6	Very high	72 Å²	72	50.5 Å²	50.5	34%	0.336	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.6	169.1	-169.5	174	22.3	0	0	109.2	F172 I173	F172-Q201 CarbonylContact O-C 3.59Å; F172-Q201 WeakPolarHBondContact O-CA 3.33Å; I173-Q201 HydrophobicContact CG1-CB 4.03Å; I173-Q201 HydrophobicContact CG1-CG 3.84Å
202	L	94	Very high	92	Very high	19 Å²	19	54.4 Å²	54.4	10%	0.099	30%	0.297	C	S	.	.			trans	-98.8	160.1	-179.6	-57.6	179.3	0	0	0	110.7	F172 V200 T204 V207 I209 P236 F237	F172-L202 HydrophobicContact CB-CB 4.31Å; F172-L202 WeakPolarHBondContact CB-O 3.26Å; F172-L202 PolarHBondContact O-N 3.31Å; V200-L202 HydrophobicContact CG1-CD2 4.16Å; V200-L202 HydrophobicContact CG1-CG 4.39Å; V200-L202 HydrophobicContact CG2-CD2 3.88Å; L202-T204 VanDerWaalsContact C-N 3.35Å; L202-V207 HydrophobicContact CB-CB 4.24Å; L202-V207 HydrophobicContact CD1-CB 4.14Å; L202-V207 WeakPolarHBondContact CD1-O 3.28Å; L202-V207 HydrophobicContact CD2-CB 4.44Å; L202-V207 HydrophobicContact CD2-CG1 4.08Å; L202-I209 HydrophobicContact CD1-CG2 4.47Å; L202-I209 HydrophobicContact CD2-CG2 3.72Å; L202-P236 HydrophobicContact CD1-CG 3.59Å; L202-F237 HydrophobicContact CB-CZ 4.37Å; L202-F237 HydrophobicContact CD1-CE2 3.59Å; L202-F237 HydrophobicContact CD1-CZ 3.6Å; L202-F237 HydrophobicContact CG-CZ 4.26Å
203	I	91.9	Very high	91.4	Very high	152 Å²	152	54.3 Å²	54.3	78%	0.779	30%	0.3	S	S	*	.	S	Bend	trans	-69.9	-37.5	177.9	-57.6	171	0	0	0	110.4	F172	F172-I203 WeakPolarHBondContact CD2-O 3.38Å
204	T	91.2	Very high	90.5	Very high	57 Å²	57	55.7 Å²	55.7	35%	0.35	31%	0.313	S	S	.	.	S	Bend	trans	-147.2	169.3	176.7	72.8	0	0	0	0	110.3	L202 N206 V207	L202-T204 VanDerWaalsContact C-N 3.35Å; T204-N206 PolarHBondContact O-N 3.23Å; T204-N206 PolarHBondContact OG1-N 3.36Å; T204-V207 PolarHBondContact O-N 2.71Å
205	S	88.2	Confident	90.1	Very high	56 Å²	56	56 Å²	56	39%	0.392	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.2	176	60.3	0	0	0	0	114.6	F172	F172-S205 VanDerWaalsContact CD1-N 3.33Å
206	N	88.1	Confident	89.8	Confident	136 Å²	136	57 Å²	57	73%	0.727	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-2.3	-173.1	-61.3	-20.9	0	0	0	113	T204 L208	T204-N206 PolarHBondContact O-N 3.23Å; T204-N206 PolarHBondContact OG1-N 3.36Å; N206-L208 PolarHBondContact O-N 3.29Å
207	V	90.7	Very high	89.6	Confident	52 Å²	52	57.1 Å²	57.1	32%	0.315	32%	0.32	S	S	.	.			trans	-74.2	121.9	178.4	178.8	0	0	0	0	109.2	L202 T204	L202-V207 HydrophobicContact CB-CB 4.24Å; L202-V207 HydrophobicContact CD1-CB 4.14Å; L202-V207 WeakPolarHBondContact CD1-O 3.28Å; L202-V207 HydrophobicContact CD2-CB 4.44Å; L202-V207 HydrophobicContact CD2-CG1 4.08Å; T204-V207 PolarHBondContact O-N 2.71Å
208	L	92.2	Very high	89.8	Confident	95 Å²	95	56.7 Å²	56.7	50%	0.497	31%	0.314	S	S	.	.			trans	-90.6	149.8	170.4	-54.2	-178.7	0	0	0	109.8	N206 P233 F234 D235	N206-L208 PolarHBondContact O-N 3.29Å; L208-P233 HydrophobicContact CB-CB 3.54Å; L208-P233 HydrophobicContact CD1-CB 4.03Å; L208-P233 HydrophobicContact CG-CB 4.45Å; L208-F234 VanDerWaalsContact CA-O 3.28Å; L208-F234 WeakPolarHBondContact CA-O 3.35Å; L208-D235 HydrophobicContact CD2-CB 3.9Å
209	I	91	Very high	89.9	Confident	18 Å²	18	52.7 Å²	52.7	9%	0.092	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-124.1	161.3	-179.1	65.8	168.5	0	0	0	111.6	V200 L202 P233 F234 P236	V200-I209 HydrophobicContact CG1-CD1 4.38Å; L202-I209 HydrophobicContact CD1-CG2 4.47Å; L202-I209 HydrophobicContact CD2-CG2 3.72Å; I209-P233 CarbonylContact O-C 3.55Å; I209-P233 VanDerWaalsContact O-CA 3.31Å; I209-P233 WeakPolarHBondContact O-CA 3.13Å; I209-F234 HydrophobicContact CD1-CE1 4.45Å; I209-F234 HydrophobicContact CD1-CE2 3.98Å; I209-F234 HydrophobicContact CD1-CZ 3.7Å; I209-F234 HydrophobicContact CG1-CD1 4.47Å; I209-F234 HydrophobicContact CG1-CD2 4.37Å; I209-F234 HydrophobicContact CG1-CE1 3.93Å; I209-F234 HydrophobicContact CG1-CE2 3.82Å; I209-F234 HydrophobicContact CG1-CZ 3.57Å; I209-F234 PolarHBondContact N-O 3.02Å; I209-F234 WeakPolarHBondContact O-CD1 3.35Å; I209-F234 WeakPolarHBondContact O-CE1 3.27Å; I209-F234 PolarHBondContact O-N 2.97Å; I209-P236 HydrophobicContact CD1-CB 3.68Å; I209-P236 HydrophobicContact CD1-CG 3.97Å; I209-P236 HydrophobicContact CG1-CB 4.13Å; I209-P236 HydrophobicContact CG1-CG 4.09Å
210	T	87.2	Confident	89.9	Confident	67 Å²	67	52.6 Å²	52.6	41%	0.411	30%	0.296	S	S	.	.			trans	-114.2	-14.8	177.6	52.5	0	0	0	0	113.4	L212 P233	T210-L212 PolarHBondContact O-N 3.31Å; T210-L212 VanDerWaalsContact O-N 3.11Å; T210-P233 HydrophobicContact CG2-CB 4.41Å; T210-P233 HydrophobicContact CG2-CG 4.07Å
211	D	84.7	Confident	89.9	Confident	100 Å²	100	52 Å²	52	54%	0.535	29%	0.293	S	S	.	.			trans	-66.8	108.8	-179.7	-60.8	-41	0	0	0	110.8	R176 C213	R176-D211 PolarHBondContact NH1-O 2.94Å; D211-C213 PolarHBondContact O-N 3.24Å
212	L	83.8	Confident	89.8	Confident	81 Å²	81	50.2 Å²	50.2	42%	0.424	29%	0.285	S	S	.	.			trans	-79.7	117.3	177.2	-59.7	-174.9	0	0	0	111.3	T210 L223 H225 A231 F234	T210-L212 PolarHBondContact O-N 3.31Å; T210-L212 VanDerWaalsContact O-N 3.11Å; L212-L223 WeakPolarHBondContact CD1-O 3.47Å; L212-L223 HydrophobicContact CD2-CD2 4.14Å; L212-H225 WeakPolarHBondContact CD1-NE2 3.41Å; L212-A231 HydrophobicContact CD2-CB 4.25Å; L212-A231 HydrophobicContact CG-CB 4.39Å; L212-F234 HydrophobicContact CD2-CE1 3.98Å
213	C	85.2	Confident	89.7	Confident	24 Å²	24	50 Å²	50	16%	0.162	28%	0.283	C	S	.	.			trans	-147.9	152.7	169.6	59.4	0	0	0	0	110.1	R176 F198 D211 L223	R176-C213 PolarHBondContact NE-SG 3.44Å; R176-C213 VanDerWaalsContact NE-SG 3.4Å; R176-C213 PolarHBondContact NH1-SG 3.12Å; F198-C213 HydrophobicContact CB-CB 4.24Å; F198-C213 HydrophobicContact CD1-CB 4.27Å; F198-C213 HydrophobicContact CD2-CB 4.12Å; F198-C213 HydrophobicContact CG-CB 3.97Å; D211-C213 PolarHBondContact O-N 3.24Å; C213-L223 WeakPolarHBondContact O-CD1 3.18Å
214	G	79.7	Confident	89.6	Confident	28 Å²	28	44.1 Å²	44.1	29%	0.289	25%	0.253	S	S	.	.			trans	147.4	149.6	177.3	0	0	0	0	0	111.8	R176	R176-G214 WeakPolarHBondContact O-CA 3.06Å
215	S	87.3	Confident	89.1	Confident	28 Å²	28	43.8 Å²	43.8	20%	0.196	25%	0.247	C	C	.	.			trans	-91.6	119.2	-179.9	-57.2	0	0	0	0	111.3	D177 K179 Y218 A219	D177-S215 VanDerWaalsContact OD1-CB 3.27Å; D177-S215 WeakPolarHBondContact OD1-CB 3.13Å; D177-S215 PolarHBondContact OD1-N 3.01Å; D177-S215 PolarHBondContact OD1-OG 3.12Å; D177-S215 PolarHBondContact OD2-OG 3.13Å; K179-S215 PolarHBondContact NZ-OG 3.46Å; S215-Y218 CarbonylContact O-C 3.47Å; S215-Y218 WeakPolarHBondContact O-CA 3.04Å; S215-Y218 WeakPolarHBondContact O-CB 3.16Å; S215-Y218 PolarHBondContact O-N 3.12Å; S215-A219 PolarHBondContact O-N 3.27Å; S215-A219 VanDerWaalsContact O-N 3.07Å
216	M	87.1	Confident	88.5	Confident	85 Å²	85	45.6 Å²	45.6	42%	0.419	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	139.9	164.3	-80.6	-175	-90.9	0	0	109.8	A219 F224 M266 I270	M216-A219 HydrophobicContact CG-CB 4.37Å; M216-F224 HydrophobicContact CE-CE1 4.02Å; M216-F224 HydrophobicContact CG-CE1 3.8Å; M216-F224 HydrophobicContact CG-CZ 3.67Å; M216-F224 HydrophobicContact SD-CE1 3.67Å; M216-F224 HydrophobicContact SD-CZ 3.92Å; M216-M266 HydrophobicContact CB-SD 3.99Å; M216-M266 HydrophobicContact SD-SD 4.45Å; M216-I270 HydrophobicContact CG-CD1 4.41Å
217	P	91.4	Very high	87.7	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.019	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	cis	-90	7.9	6.9	36.2	-38.3	0	0	0	115.7	F258 M266	P217-F258 HydrophobicContact CB-CB 4.18Å; P217-M266 HydrophobicContact CB-SD 4.08Å
218	Y	95.7	Very high	86.8	Confident	7 Å²	7	46.7 Å²	46.7	3%	0.027	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-12.6	-175.7	-55.8	-85.4	0	0	0	113.8	I178 K179 P180 S215 W242 S243 V246	I178-Y218 WeakPolarHBondContact O-CB 3.26Å; K179-Y218 HydrophobicContact CB-CD1 4.44Å; K179-Y218 HydrophobicContact CB-CD2 3.54Å; K179-Y218 HydrophobicContact CB-CE2 3.86Å; K179-Y218 HydrophobicContact CB-CG 3.88Å; P180-Y218 WeakPolarHBondContact CD-OH 3.46Å; P180-Y218 HydrophobicContact CG-CE1 4.04Å; P180-Y218 HydrophobicContact CG-CE2 4.44Å; P180-Y218 WeakPolarHBondContact CG-OH 3.17Å; S215-Y218 CarbonylContact O-C 3.47Å; S215-Y218 WeakPolarHBondContact O-CA 3.04Å; S215-Y218 WeakPolarHBondContact O-CB 3.16Å; S215-Y218 PolarHBondContact O-N 3.12Å; Y218-W242 VanDerWaalsContact O-CD1 3.25Å; Y218-S243 PolarHBondContact O-OG 3.21Å; Y218-V246 HydrophobicContact CD1-CB 3.85Å; Y218-V246 HydrophobicContact CD1-CG1 3.5Å; Y218-V246 HydrophobicContact CE1-CB 4.37Å; Y218-V246 HydrophobicContact CE1-CG1 3.72Å; Y218-V246 HydrophobicContact CG-CG1 4.28Å
219	A	94.7	Very high	86.1	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.033	28%	0.275	C	S	.	.	S	Bend	trans	-63.6	137.9	175.1	0	0	0	0	0	111.8	S215 M216 L223 F224 W242	S215-A219 PolarHBondContact O-N 3.27Å; S215-A219 VanDerWaalsContact O-N 3.07Å; M216-A219 HydrophobicContact CG-CB 4.37Å; A219-L223 HydrophobicContact CB-CD1 3.88Å; A219-F224 HydrophobicContact CB-CE1 4.39Å; A219-F224 HydrophobicContact CB-CE2 4.42Å; A219-F224 HydrophobicContact CB-CZ 3.72Å; A219-W242 PolarHBondContact O-NE1 2.76Å; A219-W242 VanDerWaalsContact O-NE1 3.1Å
220	A	95	Very high	85.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.308	C	S	.	.			trans	-75.4	153.2	-179.6	0	0	0	0	0	112.7	E222 L223 F224 T239 W242	A220-E222 VanDerWaalsContact C-N 3.28Å; A220-E222 HydrophobicContact CB-CG 4.43Å; A220-E222 VanDerWaalsContact CB-OE2 3.29Å; A220-E222 WeakPolarHBondContact CB-OE2 3.4Å; A220-E222 PolarHBondContact O-N 2.88Å; A220-L223 HydrophobicContact CB-CD1 4.47Å; A220-L223 VanDerWaalsContact O-CB 3.31Å; A220-L223 WeakPolarHBondContact O-CB 3.46Å; A220-L223 PolarHBondContact O-N 3.38Å; A220-F224 WeakPolarHBondContact O-CE2 3.46Å; A220-T239 HydrophobicContact CB-CG2 3.9Å; A220-W242 VanDerWaalsContact CA-CD1 3.44Å; A220-W242 HydrophobicContact CB-CB 3.85Å; A220-W242 HydrophobicContact CB-CD2 4.31Å; A220-W242 HydrophobicContact CB-CG 3.71Å
221	P	94.1	Very high	85.2	Confident	7 Å²	7	49.1 Å²	49.1	5%	0.045	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-55	-37.2	-176.6	-26.8	32.9	0	0	0	115.5	L223 F224 W242 I270 L295	P221-L223 PolarHBondContact O-N 2.96Å; P221-F224 WeakPolarHBondContact O-CD2 3.28Å; P221-F224 PolarHBondContact O-N 3.19Å; P221-W242 HydrophobicContact CG-CE3 4.19Å; P221-W242 HydrophobicContact CG-CH2 3.59Å; P221-W242 HydrophobicContact CG-CZ2 3.96Å; P221-W242 HydrophobicContact CG-CZ3 3.71Å; P221-I270 HydrophobicContact CB-CG2 4.25Å; P221-I270 HydrophobicContact CG-CG2 3.76Å; P221-L295 HydrophobicContact CB-CD1 3.53Å; P221-L295 HydrophobicContact CG-CD1 3.89Å
222	E	92.9	Very high	85.3	Confident	35 Å²	35	48.1 Å²	48.1	16%	0.164	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-67.2	-15.7	-179.7	62.8	-90.4	-143.2	0	0	113.4	A220 F224 F234 T239 P297 R300	A220-E222 VanDerWaalsContact C-N 3.28Å; A220-E222 HydrophobicContact CB-CG 4.43Å; A220-E222 VanDerWaalsContact CB-OE2 3.29Å; A220-E222 WeakPolarHBondContact CB-OE2 3.4Å; A220-E222 PolarHBondContact O-N 2.88Å; E222-F224 PolarHBondContact O-N 2.9Å; E222-F234 HydrophobicContact CB-CB 4.37Å; E222-F234 HydrophobicContact CG-CB 3.95Å; E222-F234 HydrophobicContact CG-CD2 4.36Å; E222-F234 HydrophobicContact CG-CG 4.27Å; E222-T239 HydrophobicContact CG-CG2 4.19Å; E222-P297 HydrophobicContact CG-CG 4.42Å; E222-P297 WeakPolarHBondContact OE1-CG 3.45Å; E222-R300 IonicContact OE1-CZ 2.68Å; E222-R300 IonicContact OE1-NH1 3.46Å; E222-R300 PolarHBondContact OE1-NH1 2.77Å; E222-R300 IonicContact OE1-NH2 3.49Å; E222-R300 PolarHBondContact OE1-NH2 3.23Å; E222-R300 IonicContact OE2-CZ 3.05Å; E222-R300 IonicContact OE2-NH1 2.99Å; E222-R300 IonicContact OE2-NH2 2.8Å; E222-R300 PolarHBondContact OE2-NH2 3.46Å
223	L	92.1	Very high	85.7	Confident	14 Å²	14	48 Å²	48	7%	0.073	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-75.6	-8	172.5	-62.1	174.8	0	0	0	112.4	L212 C213 A219 A220 P221 F234 T239	L212-L223 WeakPolarHBondContact CD1-O 3.47Å; L212-L223 HydrophobicContact CD2-CD2 4.14Å; C213-L223 WeakPolarHBondContact O-CD1 3.18Å; A219-L223 HydrophobicContact CB-CD1 3.88Å; A220-L223 HydrophobicContact CB-CD1 4.47Å; A220-L223 VanDerWaalsContact O-CB 3.31Å; A220-L223 WeakPolarHBondContact O-CB 3.46Å; A220-L223 PolarHBondContact O-N 3.38Å; P221-L223 PolarHBondContact O-N 2.96Å; L223-F234 HydrophobicContact CD2-CD1 4.36Å; L223-F234 HydrophobicContact CD2-CD2 4.18Å; L223-F234 HydrophobicContact CD2-CE1 3.74Å; L223-F234 HydrophobicContact CD2-CE2 3.53Å; L223-F234 HydrophobicContact CD2-CZ 3.28Å; L223-T239 HydrophobicContact CD1-CG2 4.48Å; L223-T239 HydrophobicContact CD2-CG2 4.3Å; L223-T239 HydrophobicContact CG-CG2 4.31Å
224	F	88.9	Confident	86.1	Confident	30 Å²	30	47.4 Å²	47.4	13%	0.132	29%	0.291	C	S	.	.			trans	-110.5	106	-179.5	-48.4	-67.6	0	0	0	111	M216 A219 A220 P221 E222 K267 I270 Q271	M216-F224 HydrophobicContact CE-CE1 4.02Å; M216-F224 HydrophobicContact CG-CE1 3.8Å; M216-F224 HydrophobicContact CG-CZ 3.67Å; M216-F224 HydrophobicContact SD-CE1 3.67Å; M216-F224 HydrophobicContact SD-CZ 3.92Å; A219-F224 HydrophobicContact CB-CE1 4.39Å; A219-F224 HydrophobicContact CB-CE2 4.42Å; A219-F224 HydrophobicContact CB-CZ 3.72Å; A220-F224 WeakPolarHBondContact O-CE2 3.46Å; P221-F224 WeakPolarHBondContact O-CD2 3.28Å; P221-F224 PolarHBondContact O-N 3.19Å; E222-F224 PolarHBondContact O-N 2.9Å; F224-K267 HydrophobicContact CB-CD 3.9Å; F224-K267 HydrophobicContact CB-CG 4.02Å; F224-K267 HydrophobicContact CD1-CD 4.33Å; F224-K267 HydrophobicContact CD1-CG 4.35Å; F224-K267 HydrophobicContact CD2-CG 4.43Å; F224-K267 HydrophobicContact CG-CD 4.21Å; F224-K267 HydrophobicContact CG-CG 4.03Å; F224-I270 HydrophobicContact CD2-CG2 4.27Å; F224-I270 HydrophobicContact CE2-CB 4.15Å; F224-I270 HydrophobicContact CE2-CD1 3.93Å; F224-I270 HydrophobicContact CE2-CG2 3.65Å; F224-I270 HydrophobicContact CZ-CD1 3.95Å; F224-Q271 HydrophobicContact CD2-CG 4.4Å; F224-Q271 PolarHBondContact O-NE2 2.96Å; F224-Q271 VanDerWaalsContact O-NE2 3.08Å
225	H	81.1	Confident	86.9	Confident	49 Å²	49	48 Å²	48	23%	0.227	29%	0.287	C	S	.	.			trans	-119.9	177.1	167.4	56.9	86.3	0	0	0	110.3	L212 V229 A231 K267	L212-H225 WeakPolarHBondContact CD1-NE2 3.41Å; H225-V229 PolarHBondContact ND1-O 3.41Å; H225-A231 WeakPolarHBondContact NE2-CA 3.5Å; H225-A231 WeakPolarHBondContact NE2-CB 3.1Å; H225-K267 PolarHBondContact O-NZ 3.46Å; H225-K267 VanDerWaalsContact O-NZ 3.08Å
226	D	74.7	Confident	87.3	Confident	95 Å²	95	46.7 Å²	46.7	51%	0.508	28%	0.278	S	S	.	.			trans	-73.1	132.9	167.2	-172.2	-12.2	0	0	0	108.6	S228 V229	D226-S228 PolarHBondContact O-N 3.48Å; D226-S228 PolarHBondContact OD1-N 3.17Å; D226-S228 PolarHBondContact OD1-OG 3.32Å; D226-S228 PolarHBondContact OD2-OG 3.38Å; D226-V229 PolarHBondContact O-N 3.2Å; D226-V229 VanDerWaalsContact O-N 3.12Å
227	S	73	Confident	87.8	Confident	118 Å²	118	43.3 Å²	43.3	83%	0.825	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.4	175.2	44	0	0	0	0	113.6	V229	S227-V229 PolarHBondContact O-N 3.04Å
228	S	71.6	Confident	88.1	Confident	93 Å²	93	45 Å²	45	65%	0.65	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-11	174.3	67.8	0	0	0	0	113.7	D226	D226-S228 PolarHBondContact O-N 3.48Å; D226-S228 PolarHBondContact OD1-N 3.17Å; D226-S228 PolarHBondContact OD1-OG 3.32Å; D226-S228 PolarHBondContact OD2-OG 3.38Å
229	V	77.2	Confident	88.1	Confident	91 Å²	91	44.9 Å²	44.9	55%	0.552	27%	0.268	S	S	*	.	S	Bend	trans	-125.1	142.9	-175.5	-169.5	0	0	0	0	110.3	H225 D226 S227 A231	H225-V229 PolarHBondContact ND1-O 3.41Å; D226-V229 PolarHBondContact O-N 3.2Å; D226-V229 VanDerWaalsContact O-N 3.12Å; S227-V229 PolarHBondContact O-N 3.04Å; V229-A231 PolarHBondContact O-N 2.81Å
230	V	77.8	Confident	88.3	Confident	127 Å²	127	44.7 Å²	44.7	77%	0.77	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-57.2	131.9	170.8	179.5	0	0	0	0	109.4
231	A	81.4	Confident	88.4	Confident	13 Å²	13	44.9 Å²	44.9	11%	0.107	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-52.7	125.5	177.2	0	0	0	0	0	110.6	L212 H225 V229	L212-A231 HydrophobicContact CD2-CB 4.25Å; L212-A231 HydrophobicContact CG-CB 4.39Å; H225-A231 WeakPolarHBondContact NE2-CA 3.5Å; H225-A231 WeakPolarHBondContact NE2-CB 3.1Å; V229-A231 PolarHBondContact O-N 2.81Å
232	P	87.1	Confident	88.6	Confident	79 Å²	79	44.6 Å²	44.6	51%	0.513	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-63.2	141	169.7	27	-32.5	0	0	0	109.2	F234	P232-F234 PolarHBondContact O-N 3.29Å
233	P	91.8	Very high	88.9	Confident	79 Å²	79	43.2 Å²	43.2	51%	0.513	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-59	136.7	175.3	-23.1	32.6	0	0	0	111.5	L208 I209 T210	L208-P233 HydrophobicContact CB-CB 3.54Å; L208-P233 HydrophobicContact CD1-CB 4.03Å; L208-P233 HydrophobicContact CG-CB 4.45Å; I209-P233 CarbonylContact O-C 3.55Å; I209-P233 VanDerWaalsContact O-CA 3.31Å; I209-P233 WeakPolarHBondContact O-CA 3.13Å; T210-P233 HydrophobicContact CG2-CB 4.41Å; T210-P233 HydrophobicContact CG2-CG 4.07Å
234	F	93.6	Very high	89.2	Confident	11 Å²	11	42.5 Å²	42.5	5%	0.048	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-129.9	163.1	179.7	68.4	-88.3	0	0	0	112.3	L208 I209 L212 E222 L223 P232 P236 T239	L208-F234 VanDerWaalsContact CA-O 3.28Å; L208-F234 WeakPolarHBondContact CA-O 3.35Å; I209-F234 HydrophobicContact CD1-CE1 4.45Å; I209-F234 HydrophobicContact CD1-CE2 3.98Å; I209-F234 HydrophobicContact CD1-CZ 3.7Å; I209-F234 HydrophobicContact CG1-CD1 4.47Å; I209-F234 HydrophobicContact CG1-CD2 4.37Å; I209-F234 HydrophobicContact CG1-CE1 3.93Å; I209-F234 HydrophobicContact CG1-CE2 3.82Å; I209-F234 HydrophobicContact CG1-CZ 3.57Å; I209-F234 PolarHBondContact N-O 3.02Å; I209-F234 WeakPolarHBondContact O-CD1 3.35Å; I209-F234 WeakPolarHBondContact O-CE1 3.27Å; I209-F234 PolarHBondContact O-N 2.97Å; L212-F234 HydrophobicContact CD2-CE1 3.98Å; E222-F234 HydrophobicContact CB-CB 4.37Å; E222-F234 HydrophobicContact CG-CB 3.95Å; E222-F234 HydrophobicContact CG-CD2 4.36Å; E222-F234 HydrophobicContact CG-CG 4.27Å; L223-F234 HydrophobicContact CD2-CD1 4.36Å; L223-F234 HydrophobicContact CD2-CD2 4.18Å; L223-F234 HydrophobicContact CD2-CE1 3.74Å; L223-F234 HydrophobicContact CD2-CE2 3.53Å; L223-F234 HydrophobicContact CD2-CZ 3.28Å; P232-F234 PolarHBondContact O-N 3.29Å; F234-P236 HydrophobicContact CE2-CB 4.14Å; F234-P236 WeakPolarHBondContact O-CD 3.39Å; F234-T239 HydrophobicContact CD2-CG2 3.64Å; F234-T239 HydrophobicContact CE2-CG2 3.69Å
235	D	95.7	Very high	89.6	Confident	40 Å²	40	41.1 Å²	41.1	21%	0.214	25%	0.25	C	C	.	.			trans	-88.7	108.7	177.9	178.9	-21.9	0	0	0	109.4	L208 F237 K238 T239	L208-D235 HydrophobicContact CD2-CB 3.9Å; D235-F237 VanDerWaalsContact C-N 3.26Å; D235-F237 PolarHBondContact O-N 3.08Å; D235-F237 WeakPolarHBondContact OD1-CA 3.45Å; D235-F237 VanDerWaalsContact OD1-CB 3.29Å; D235-F237 WeakPolarHBondContact OD1-CB 3.32Å; D235-F237 WeakPolarHBondContact OD1-CD2 3.38Å; D235-F237 PolarHBondContact OD1-N 3.26Å; D235-K238 HydrophobicContact CB-CB 4.31Å; D235-K238 HydrophobicContact CB-CG 3.98Å; D235-K238 PolarHBondContact O-N 2.61Å; D235-K238 PolarHBondContact OD1-N 3.24Å; D235-K238 WeakPolarHBondContact OD2-CG 3.33Å; D235-T239 PolarHBondContact O-N 3.45Å
236	P	96.4	Very high	90.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-72.6	-18.5	-176.2	31.6	-35.3	0	0	0	113.1	A174 R176 L202 I209 F234 K238 T239 D240	A174-P236 HydrophobicContact CB-CB 3.68Å; A174-P236 HydrophobicContact CB-CG 4.02Å; R176-P236 HydrophobicContact CG-CB 4.2Å; L202-P236 HydrophobicContact CD1-CG 3.59Å; I209-P236 HydrophobicContact CD1-CB 3.68Å; I209-P236 HydrophobicContact CD1-CG 3.97Å; I209-P236 HydrophobicContact CG1-CB 4.13Å; I209-P236 HydrophobicContact CG1-CG 4.09Å; F234-P236 HydrophobicContact CE2-CB 4.14Å; F234-P236 WeakPolarHBondContact O-CD 3.39Å; P236-K238 VanDerWaalsContact C-N 3.34Å; P236-T239 PolarHBondContact O-N 3.3Å; P236-T239 PolarHBondContact O-OG1 3.42Å; P236-D240 PolarHBondContact O-N 2.87Å
237	F	97.2	Very high	91.5	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-71.4	-36.1	173.9	-52.4	-66.6	0	0	0	110.1	H169 F172 A174 L202 D235 T239 D240 L241	H169-F237 HydrophobicContact CB-CD1 4.13Å; H169-F237 AromaticContact CD2-CD1 3.46Å; H169-F237 VanDerWaalsContact CD2-CD1 3.46Å; H169-F237 WeakPolarHBondContact CD2-CD1 3.43Å; H169-F237 PolarHBondContact CE1-O 3.36Å; H169-F237 VanDerWaalsContact CE1-O 3.25Å; H169-F237 AromaticContact CG-CD1 3.66Å; H169-F237 AromaticContact NE2-CD1 3.75Å; F172-F237 HydrophobicContact CB-CZ 4.32Å; A174-F237 HydrophobicContact CB-CD1 3.94Å; A174-F237 HydrophobicContact CB-CE1 4.01Å; L202-F237 HydrophobicContact CB-CZ 4.37Å; L202-F237 HydrophobicContact CD1-CE2 3.59Å; L202-F237 HydrophobicContact CD1-CZ 3.6Å; L202-F237 HydrophobicContact CG-CZ 4.26Å; D235-F237 VanDerWaalsContact C-N 3.26Å; D235-F237 PolarHBondContact O-N 3.08Å; D235-F237 WeakPolarHBondContact OD1-CA 3.45Å; D235-F237 VanDerWaalsContact OD1-CB 3.29Å; D235-F237 WeakPolarHBondContact OD1-CB 3.32Å; D235-F237 WeakPolarHBondContact OD1-CD2 3.38Å; D235-F237 PolarHBondContact OD1-N 3.26Å; F237-T239 VanDerWaalsContact C-N 3.29Å; F237-T239 PolarHBondContact O-N 2.71Å; F237-D240 PolarHBondContact O-N 3.47Å; F237-L241 WeakPolarHBondContact O-CG 3.47Å; F237-L241 PolarHBondContact O-N 3.06Å
238	K	97.5	Very high	92.7	Very high	40 Å²	40	28.6 Å²	28.6	17%	0.174	18%	0.176	C	C	.	.	H	α-helix	trans	-69.3	-26	173.7	-61.4	-52.6	-173.4	97.1	0	113.3	D235 P236 L241 W242 P297 R300	D235-K238 HydrophobicContact CB-CB 4.31Å; D235-K238 HydrophobicContact CB-CG 3.98Å; D235-K238 PolarHBondContact O-N 2.61Å; D235-K238 PolarHBondContact OD1-N 3.24Å; D235-K238 WeakPolarHBondContact OD2-CG 3.33Å; P236-K238 VanDerWaalsContact C-N 3.34Å; K238-L241 HydrophobicContact CD-CD1 4.08Å; K238-L241 PolarHBondContact O-N 3.48Å; K238-W242 PolarHBondContact O-N 3.34Å; K238-W242 VanDerWaalsContact O-N 3.13Å; K238-P297 HydrophobicContact CB-CB 3.83Å; K238-P297 HydrophobicContact CG-CB 3.98Å; K238-P297 PolarHBondContact NZ-O 3.47Å; K238-R300 PolarHBondContact O-NH1 2.84Å
239	T	96.9	Very high	93.9	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-68.2	-41.4	174.1	64.8	0	0	0	0	110.9	A220 E222 L223 F234 D235 P236 F237 L241 W242 S243	A220-T239 HydrophobicContact CB-CG2 3.9Å; E222-T239 HydrophobicContact CG-CG2 4.19Å; L223-T239 HydrophobicContact CD1-CG2 4.48Å; L223-T239 HydrophobicContact CD2-CG2 4.3Å; L223-T239 HydrophobicContact CG-CG2 4.31Å; F234-T239 HydrophobicContact CD2-CG2 3.64Å; F234-T239 HydrophobicContact CE2-CG2 3.69Å; D235-T239 PolarHBondContact O-N 3.45Å; P236-T239 PolarHBondContact O-N 3.3Å; P236-T239 PolarHBondContact O-OG1 3.42Å; F237-T239 VanDerWaalsContact C-N 3.29Å; F237-T239 PolarHBondContact O-N 2.71Å; T239-L241 VanDerWaalsContact C-N 3.31Å; T239-L241 PolarHBondContact O-N 3.43Å; T239-W242 WeakPolarHBondContact O-CB 3.44Å; T239-W242 PolarHBondContact O-N 2.95Å; T239-S243 PolarHBondContact O-N 3.09Å; T239-S243 PolarHBondContact O-OG 3.38Å
240	D	98.1	Very high	94.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-41	175	-74	-16.7	0	0	0	112.1	V165 H169 A174 H175 R176 I178 P236 F237 W242 S243 L244	V165-D240 HydrophobicContact CG1-CB 4.32Å; H169-D240 IonicContact CD2-OD2 4Å; H169-D240 IonicContact CE1-OD2 3.56Å; H169-D240 IonicContact NE2-OD2 3.56Å; H169-D240 PolarHBondContact NE2-OD2 2.84Å; A174-D240 WeakPolarHBondContact CA-OD2 3.4Å; H175-D240 PolarHBondContact N-OD1 2.79Å; H175-D240 PolarHBondContact N-OD2 3.25Å; R176-D240 WeakPolarHBondContact CA-OD1 3.43Å; R176-D240 PolarHBondContact N-OD1 3.07Å; I178-D240 HydrophobicContact CD1-CB 3.84Å; P236-D240 PolarHBondContact O-N 2.87Å; F237-D240 PolarHBondContact O-N 3.47Å; D240-W242 PolarHBondContact O-N 2.85Å; D240-S243 PolarHBondContact O-N 3.13Å; D240-L244 PolarHBondContact O-N 2.61Å
241	L	98.3	Very high	95.8	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-65.7	-37.9	177.7	-60.2	-177.6	0	0	0	112.2	V165 F237 K238 T239 L244 G245 I292 L301 A303	V165-L241 HydrophobicContact CG1-CD2 4.16Å; F237-L241 WeakPolarHBondContact O-CG 3.47Å; F237-L241 PolarHBondContact O-N 3.06Å; K238-L241 HydrophobicContact CD-CD1 4.08Å; K238-L241 PolarHBondContact O-N 3.48Å; T239-L241 VanDerWaalsContact C-N 3.31Å; T239-L241 PolarHBondContact O-N 3.43Å; L241-L244 HydrophobicContact CD2-CD1 4.3Å; L241-L244 PolarHBondContact O-N 2.65Å; L241-G245 PolarHBondContact O-N 2.87Å; L241-I292 WeakPolarHBondContact O-CG2 3.31Å; L241-L301 WeakPolarHBondContact CD1-O 3.46Å; L241-A303 HydrophobicContact CD2-CB 3.98Å
242	W	98	Very high	96.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.9	-49.7	171.6	169.8	-83.5	0	0	0	110.8	Y218 A219 A220 P221 K238 T239 D240 L244 G245 V246 F258 I270 V273 L293	Y218-W242 VanDerWaalsContact O-CD1 3.25Å; A219-W242 PolarHBondContact O-NE1 2.76Å; A219-W242 VanDerWaalsContact O-NE1 3.1Å; A220-W242 VanDerWaalsContact CA-CD1 3.44Å; A220-W242 HydrophobicContact CB-CB 3.85Å; A220-W242 HydrophobicContact CB-CD2 4.31Å; A220-W242 HydrophobicContact CB-CG 3.71Å; P221-W242 HydrophobicContact CG-CE3 4.19Å; P221-W242 HydrophobicContact CG-CH2 3.59Å; P221-W242 HydrophobicContact CG-CZ2 3.96Å; P221-W242 HydrophobicContact CG-CZ3 3.71Å; K238-W242 PolarHBondContact O-N 3.34Å; K238-W242 VanDerWaalsContact O-N 3.13Å; T239-W242 WeakPolarHBondContact O-CB 3.44Å; T239-W242 PolarHBondContact O-N 2.95Å; D240-W242 PolarHBondContact O-N 2.85Å; W242-L244 VanDerWaalsContact C-N 3.27Å; W242-L244 PolarHBondContact O-N 3.33Å; W242-G245 WeakPolarHBondContact O-CA 3.46Å; W242-G245 PolarHBondContact O-N 2.87Å; W242-V246 HydrophobicContact CZ2-CG2 4.44Å; W242-V246 PolarHBondContact O-N 3.28Å; W242-F258 HydrophobicContact CH2-CE2 4.38Å; W242-F258 AromaticContact CH2-CZ 3.96Å; W242-F258 HydrophobicContact CH2-CZ 3.96Å; W242-F258 AromaticContact CZ2-CE2 3.61Å; W242-F258 HydrophobicContact CZ2-CE2 3.61Å; W242-F258 AromaticContact CZ2-CZ 3.65Å; W242-F258 HydrophobicContact CZ2-CZ 3.65Å; W242-I270 HydrophobicContact CH2-CG2 4.33Å; W242-I270 HydrophobicContact CZ2-CG2 3.73Å; W242-V273 HydrophobicContact CH2-CG1 4.21Å; W242-V273 HydrophobicContact CH2-CG2 4.13Å; W242-V273 HydrophobicContact CZ3-CG1 4.49Å; W242-V273 HydrophobicContact CZ3-CG2 4.29Å; W242-L293 HydrophobicContact CD2-CD2 3.93Å; W242-L293 HydrophobicContact CE3-CD2 3.91Å; W242-L293 HydrophobicContact CH2-CB 4.49Å; W242-L293 HydrophobicContact CH2-CD2 4.31Å; W242-L293 HydrophobicContact CZ2-CD2 4.31Å; W242-L293 HydrophobicContact CZ3-CB 4.13Å; W242-L293 HydrophobicContact CZ3-CD2 4.12Å
243	S	98.2	Very high	97	Very high	6 Å²	6	11 Å²	11	4%	0.042	6%	0.061	C	C	.	.	H	α-helix	trans	-59.9	-36.5	-179.6	-56.8	0	0	0	0	112.4	I178 Y218 T239 D240 V246 L247	I178-S243 WeakPolarHBondContact O-CB 3.49Å; Y218-S243 PolarHBondContact O-OG 3.21Å; T239-S243 PolarHBondContact O-N 3.09Å; T239-S243 PolarHBondContact O-OG 3.38Å; D240-S243 PolarHBondContact O-N 3.13Å; S243-V246 PolarHBondContact O-N 3.38Å; S243-L247 VanDerWaalsContact O-CB 3.28Å; S243-L247 WeakPolarHBondContact O-CB 3.26Å; S243-L247 PolarHBondContact O-N 3.3Å
244	L	98.3	Very high	97.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.2	-42.5	170.2	-74.9	179.2	0	0	0	112.4	Y158 M161 L162 V165 I178 D240 L241 W242 L247 L248	Y158-L244 HydrophobicContact CE2-CB 4.02Å; Y158-L244 WeakPolarHBondContact CE2-O 3.39Å; M161-L244 HydrophobicContact CB-CD2 3.84Å; M161-L244 HydrophobicContact CE-CD2 4.44Å; L162-L244 HydrophobicContact CD1-CD1 3.95Å; V165-L244 HydrophobicContact CB-CD1 4.16Å; V165-L244 HydrophobicContact CG1-CD1 4.23Å; V165-L244 HydrophobicContact CG2-CD1 3.95Å; V165-L244 HydrophobicContact CG2-CD2 4.32Å; V165-L244 HydrophobicContact CG2-CG 4.33Å; I178-L244 HydrophobicContact CD1-CG 4.45Å; I178-L244 HydrophobicContact CG2-CD2 4.24Å; D240-L244 PolarHBondContact O-N 2.61Å; L241-L244 HydrophobicContact CD2-CD1 4.3Å; L241-L244 PolarHBondContact O-N 2.65Å; W242-L244 VanDerWaalsContact C-N 3.27Å; W242-L244 PolarHBondContact O-N 3.33Å; L244-L247 HydrophobicContact CD2-CD2 4.48Å; L244-L247 WeakPolarHBondContact O-CB 3.15Å; L244-L247 PolarHBondContact O-N 2.9Å; L244-L248 PolarHBondContact O-N 3.29Å
245	G	98	Very high	97.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.6	-43.4	176.4	0	0	0	0	0	112.8	L241 W242 L248 L249	L241-G245 PolarHBondContact O-N 2.87Å; W242-G245 WeakPolarHBondContact O-CA 3.46Å; W242-G245 PolarHBondContact O-N 2.87Å; G245-L248 PolarHBondContact O-N 3.35Å; G245-L249 PolarHBondContact O-N 3.34Å; G245-L249 VanDerWaalsContact O-N 3.13Å
246	V	97.7	Very high	96.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.3	-41.9	175.2	-175.5	0	0	0	0	110.6	Y218 W242 S243 L248 L249 F250 P257 F258 L293	Y218-V246 HydrophobicContact CD1-CB 3.85Å; Y218-V246 HydrophobicContact CD1-CG1 3.5Å; Y218-V246 HydrophobicContact CE1-CB 4.37Å; Y218-V246 HydrophobicContact CE1-CG1 3.72Å; Y218-V246 HydrophobicContact CG-CG1 4.28Å; W242-V246 HydrophobicContact CZ2-CG2 4.44Å; W242-V246 PolarHBondContact O-N 3.28Å; S243-V246 PolarHBondContact O-N 3.38Å; V246-L248 PolarHBondContact O-N 2.95Å; V246-L249 PolarHBondContact O-N 3.3Å; V246-F250 WeakPolarHBondContact O-CB 3.37Å; V246-F250 PolarHBondContact O-N 3.4Å; V246-P257 HydrophobicContact CG1-CB 4.37Å; V246-P257 HydrophobicContact CG1-CG 3.83Å; V246-F258 HydrophobicContact CG2-CE2 3.9Å; V246-L293 HydrophobicContact CG2-CD2 3.87Å
247	L	98	Very high	96.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-43.4	176.6	-178	64.1	0	0	0	112	L139 M161 I178 P180 V183 S243 L244 F250 M251	L139-L247 HydrophobicContact CD2-CD1 4.06Å; M161-L247 HydrophobicContact CG-CD2 4.43Å; I178-L247 HydrophobicContact CG2-CD2 4.15Å; P180-L247 HydrophobicContact CB-CD1 4.19Å; P180-L247 HydrophobicContact CG-CD1 3.62Å; V183-L247 HydrophobicContact CG2-CD2 4.03Å; S243-L247 VanDerWaalsContact O-CB 3.28Å; S243-L247 WeakPolarHBondContact O-CB 3.26Å; S243-L247 PolarHBondContact O-N 3.3Å; L244-L247 HydrophobicContact CD2-CD2 4.48Å; L244-L247 WeakPolarHBondContact O-CB 3.15Å; L244-L247 PolarHBondContact O-N 2.9Å; L247-F250 HydrophobicContact CD1-CD1 4.47Å; L247-F250 PolarHBondContact O-N 3.29Å; L247-M251 HydrophobicContact CG-CE 4.4Å; L247-M251 WeakPolarHBondContact O-CG 3.3Å; L247-M251 PolarHBondContact O-N 3.24Å
248	L	97.8	Very high	96	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.6	-50.7	175	177.1	53.2	0	0	0	110.9	A154 Y158 L244 G245 V246 F250 M251 I252 M288 I289 W311	A154-L248 HydrophobicContact CB-CD1 4.35Å; Y158-L248 HydrophobicContact CD2-CB 3.74Å; Y158-L248 HydrophobicContact CD2-CD1 4.18Å; Y158-L248 HydrophobicContact CD2-CD2 4.12Å; Y158-L248 HydrophobicContact CD2-CG 4.23Å; Y158-L248 HydrophobicContact CE2-CB 3.73Å; Y158-L248 HydrophobicContact CE2-CD2 4.04Å; Y158-L248 HydrophobicContact CE2-CG 4.4Å; L244-L248 PolarHBondContact O-N 3.29Å; G245-L248 PolarHBondContact O-N 3.35Å; V246-L248 PolarHBondContact O-N 2.95Å; L248-F250 VanDerWaalsContact C-N 3.3Å; L248-F250 PolarHBondContact O-N 3.44Å; L248-M251 HydrophobicContact CD1-CE 4.18Å; L248-M251 PolarHBondContact O-N 2.94Å; L248-M251 VanDerWaalsContact O-N 3.13Å; L248-I252 HydrophobicContact CD1-CG2 4.2Å; L248-I252 WeakPolarHBondContact O-CG1 3.43Å; L248-I252 PolarHBondContact O-N 3.03Å; L248-I252 VanDerWaalsContact O-N 3.09Å; L248-M288 HydrophobicContact CD2-CG 4.26Å; L248-I289 HydrophobicContact CD2-CD1 4.28Å; L248-I289 HydrophobicContact CD2-CG1 3.75Å; L248-I289 HydrophobicContact CG-CD1 4.16Å; L248-I289 HydrophobicContact CG-CG1 4.07Å; L248-W311 HydrophobicContact CD1-CH2 3.39Å; L248-W311 HydrophobicContact CD1-CZ2 3.92Å; L248-W311 HydrophobicContact CD1-CZ3 4.09Å; L248-W311 HydrophobicContact CD2-CE3 4.46Å; L248-W311 HydrophobicContact CD2-CH2 4.03Å; L248-W311 HydrophobicContact CD2-CZ3 3.95Å; L248-W311 HydrophobicContact CG-CH2 4.38Å
249	L	97.1	Very high	95.6	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-63.1	-36.6	-179.8	-175.7	56.6	0	0	0	112.2	G245 V246 I252 T253 P257 V275 L277 I289 L293	G245-L249 PolarHBondContact O-N 3.34Å; G245-L249 VanDerWaalsContact O-N 3.13Å; V246-L249 PolarHBondContact O-N 3.3Å; L249-I252 HydrophobicContact CD1-CD1 3.77Å; L249-I252 HydrophobicContact CD1-CG1 4.37Å; L249-T253 HydrophobicContact CD1-CG2 3.74Å; L249-T253 WeakPolarHBondContact O-CB 3.44Å; L249-T253 WeakPolarHBondContact O-CG2 3.44Å; L249-T253 PolarHBondContact O-N 3.39Å; L249-T253 PolarHBondContact O-OG1 3.39Å; L249-P257 HydrophobicContact CB-CG 3.95Å; L249-P257 HydrophobicContact CD2-CB 3.61Å; L249-P257 HydrophobicContact CD2-CG 3.84Å; L249-P257 HydrophobicContact CG-CB 4.11Å; L249-P257 HydrophobicContact CG-CG 3.78Å; L249-V275 HydrophobicContact CD2-CG2 3.36Å; L249-L277 HydrophobicContact CD1-CD2 4.19Å; L249-L277 HydrophobicContact CD2-CD2 4.37Å; L249-I289 HydrophobicContact CB-CD1 4.27Å; L249-I289 HydrophobicContact CD1-CD1 4.13Å; L249-I289 HydrophobicContact CD2-CG2 4.46Å; L249-L293 HydrophobicContact CD2-CD1 4.41Å
250	F	97.5	Very high	95.3	Very high	7 Å²	7	21 Å²	21	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-48.6	171	167.9	-102.7	0	0	0	111.6	L140 V143 P180 V246 L247 L248 I252 T253 A254	L140-F250 HydrophobicContact CD1-CE1 4.47Å; L140-F250 HydrophobicContact CD1-CE2 4.31Å; L140-F250 HydrophobicContact CD1-CZ 3.8Å; V143-F250 HydrophobicContact CB-CE1 3.67Å; V143-F250 HydrophobicContact CB-CZ 3.7Å; V143-F250 HydrophobicContact CG1-CE1 3.78Å; V143-F250 HydrophobicContact CG1-CE2 4.21Å; V143-F250 HydrophobicContact CG1-CZ 3.59Å; V143-F250 HydrophobicContact CG2-CE1 3.78Å; V143-F250 HydrophobicContact CG2-CZ 4.33Å; P180-F250 HydrophobicContact CB-CD1 4.1Å; P180-F250 HydrophobicContact CB-CE1 3.69Å; P180-F250 HydrophobicContact CB-CZ 4.43Å; P180-F250 HydrophobicContact CG-CD1 3.39Å; P180-F250 HydrophobicContact CG-CE1 3.44Å; P180-F250 VanDerWaalsContact CG-CE1 3.44Å; P180-F250 HydrophobicContact CG-CG 4.09Å; P180-F250 HydrophobicContact CG-CZ 4.19Å; V246-F250 WeakPolarHBondContact O-CB 3.37Å; V246-F250 PolarHBondContact O-N 3.4Å; L247-F250 HydrophobicContact CD1-CD1 4.47Å; L247-F250 PolarHBondContact O-N 3.29Å; L248-F250 VanDerWaalsContact C-N 3.3Å; L248-F250 PolarHBondContact O-N 3.44Å; F250-I252 PolarHBondContact O-N 2.86Å; F250-T253 PolarHBondContact O-N 3.27Å; F250-A254 VanDerWaalsContact O-CA 3.28Å; F250-A254 WeakPolarHBondContact O-CA 3.48Å; F250-A254 PolarHBondContact O-N 3.48Å
251	M	97.9	Very high	95	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.9	-45.2	-178.8	-74.1	-172.3	-67.5	0	0	112.8	L139 L149 A154 I157 Y158 L247 L248 T253	L139-M251 HydrophobicContact CD2-CG 4.1Å; L139-M251 HydrophobicContact CD2-SD 3.84Å; L149-M251 HydrophobicContact CD1-CB 4.09Å; L149-M251 HydrophobicContact CD1-CG 4.16Å; L149-M251 HydrophobicContact CD1-SD 4.27Å; L149-M251 HydrophobicContact CG-CB 4.44Å; L149-M251 PolarHBondContact N-O 2.87Å; A154-M251 HydrophobicContact CB-CB 4.24Å; I157-M251 HydrophobicContact CB-SD 3.88Å; I157-M251 HydrophobicContact CD1-SD 4.19Å; I157-M251 HydrophobicContact CG2-CE 4.27Å; I157-M251 HydrophobicContact CG2-SD 3.51Å; I157-M251 VanDerWaalsContact CG2-SD 3.51Å; Y158-M251 HydrophobicContact CD2-CE 4.39Å; L247-M251 HydrophobicContact CG-CE 4.4Å; L247-M251 WeakPolarHBondContact O-CG 3.3Å; L247-M251 PolarHBondContact O-N 3.24Å; L248-M251 HydrophobicContact CD1-CE 4.18Å; L248-M251 PolarHBondContact O-N 2.94Å; L248-M251 VanDerWaalsContact O-N 3.13Å; M251-T253 VanDerWaalsContact C-N 3.33Å; M251-T253 PolarHBondContact O-N 3.29Å
252	I	96.8	Very high	94.6	Very high	3 Å²	3	32 Å²	32	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-81.2	-9	-175.9	53.5	132.1	0	0	0	114.1	A154 L248 L249 F250 F280 I281 I289	A154-I252 HydrophobicContact CB-CG2 3.66Å; L248-I252 HydrophobicContact CD1-CG2 4.2Å; L248-I252 WeakPolarHBondContact O-CG1 3.43Å; L248-I252 PolarHBondContact O-N 3.03Å; L248-I252 VanDerWaalsContact O-N 3.09Å; L249-I252 HydrophobicContact CD1-CD1 3.77Å; L249-I252 HydrophobicContact CD1-CG1 4.37Å; F250-I252 PolarHBondContact O-N 2.86Å; I252-F280 WeakPolarHBondContact O-CE2 3.44Å; I252-I281 HydrophobicContact CB-CG2 4.39Å; I252-I281 HydrophobicContact CD1-CB 4.38Å; I252-I281 HydrophobicContact CD1-CD1 3.67Å; I252-I281 HydrophobicContact CD1-CG1 4.46Å; I252-I281 HydrophobicContact CD1-CG2 3.64Å; I252-I289 HydrophobicContact CD1-CD1 3.8Å
253	T	95.9	Very high	94.2	Very high	18 Å²	18	37.1 Å²	37.1	11%	0.11	20%	0.203	C	C	.	.	H	α-helix	trans	-118.3	-21.3	179	63.7	0	0	0	0	114.2	L249 F250 M251 N255 P278 F280	L249-T253 HydrophobicContact CD1-CG2 3.74Å; L249-T253 WeakPolarHBondContact O-CB 3.44Å; L249-T253 WeakPolarHBondContact O-CG2 3.44Å; L249-T253 PolarHBondContact O-N 3.39Å; L249-T253 PolarHBondContact O-OG1 3.39Å; F250-T253 PolarHBondContact O-N 3.27Å; M251-T253 VanDerWaalsContact C-N 3.33Å; M251-T253 PolarHBondContact O-N 3.29Å; T253-N255 PolarHBondContact O-N 3.42Å; T253-N255 PolarHBondContact OG1-N 2.93Å; T253-N255 PolarHBondContact OG1-O 3.39Å; T253-P278 HydrophobicContact CG2-CG 3.47Å; T253-P278 VanDerWaalsContact CG2-CG 3.47Å; T253-F280 HydrophobicContact CG2-CZ 4.45Å
254	A	96	Very high	93.8	Very high	30 Å²	30	38.9 Å²	38.9	25%	0.248	22%	0.222	C	C	.	.	S	Bend	trans	53.9	17.4	-165.8	0	0	0	0	0	114.9	V143 K148 F250	V143-A254 HydrophobicContact CG1-CB 3.63Å; K148-A254 HydrophobicContact CB-CB 4.25Å; F250-A254 VanDerWaalsContact O-CA 3.28Å; F250-A254 WeakPolarHBondContact O-CA 3.48Å; F250-A254 PolarHBondContact O-N 3.48Å
255	N	92.4	Very high	93.5	Very high	103 Å²	103	43.5 Å²	43.5	55%	0.551	24%	0.242	S	C	*	.	S	Bend	trans	-117.5	154.1	178.5	-65.4	-34.3	0	0	0	109.9	T253 P257	T253-N255 PolarHBondContact O-N 3.42Å; T253-N255 PolarHBondContact OG1-N 2.93Å; T253-N255 PolarHBondContact OG1-O 3.39Å; N255-P257 WeakPolarHBondContact O-CD 3.21Å
256	Q	90.2	Very high	93.3	Very high	84 Å²	84	44.8 Å²	44.8	39%	0.393	25%	0.249	S	C	.	.			trans	-72.3	122.9	172.5	-68.1	-168.5	-80.3	0	0	109.4	F258 E259	Q256-F258 VanDerWaalsContact C-N 3.33Å; Q256-F258 PolarHBondContact O-N 2.84Å; Q256-E259 HydrophobicContact CB-CB 4.22Å
257	P	85.3	Confident	93	Very high	20 Å²	20	47.7 Å²	47.7	13%	0.13	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-35.9	-174.4	-30.8	40.1	0	0	0	115.2	V246 L249 N255 V275	V246-P257 HydrophobicContact CG1-CB 4.37Å; V246-P257 HydrophobicContact CG1-CG 3.83Å; L249-P257 HydrophobicContact CB-CG 3.95Å; L249-P257 HydrophobicContact CD2-CB 3.61Å; L249-P257 HydrophobicContact CD2-CG 3.84Å; L249-P257 HydrophobicContact CG-CB 4.11Å; L249-P257 HydrophobicContact CG-CG 3.78Å; N255-P257 WeakPolarHBondContact O-CD 3.21Å; P257-V275 HydrophobicContact CB-CG2 4.21Å
258	F	90.8	Very high	92.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	67.9	-179.2	-55.7	-71.8	0	0	0	109.1	P217 W242 V246 Q256 M266 L269 I270 V275	P217-F258 HydrophobicContact CB-CB 4.18Å; W242-F258 HydrophobicContact CH2-CE2 4.38Å; W242-F258 AromaticContact CH2-CZ 3.96Å; W242-F258 HydrophobicContact CH2-CZ 3.96Å; W242-F258 AromaticContact CZ2-CE2 3.61Å; W242-F258 HydrophobicContact CZ2-CE2 3.61Å; W242-F258 AromaticContact CZ2-CZ 3.65Å; W242-F258 HydrophobicContact CZ2-CZ 3.65Å; V246-F258 HydrophobicContact CG2-CE2 3.9Å; Q256-F258 VanDerWaalsContact C-N 3.33Å; Q256-F258 PolarHBondContact O-N 2.84Å; F258-M266 HydrophobicContact CB-CG 4.47Å; F258-M266 WeakPolarHBondContact O-CE 3.29Å; F258-M266 VanDerWaalsContact O-CG 3.29Å; F258-M266 WeakPolarHBondContact O-CG 3.38Å; F258-L269 HydrophobicContact CB-CB 4.4Å; F258-L269 HydrophobicContact CD1-CB 4.06Å; F258-I270 HydrophobicContact CB-CD1 4.39Å; F258-I270 HydrophobicContact CB-CG1 3.77Å; F258-I270 HydrophobicContact CD1-CG1 4.03Å; F258-I270 HydrophobicContact CD2-CG1 3.69Å; F258-I270 HydrophobicContact CE2-CG1 4.25Å; F258-I270 HydrophobicContact CG-CG1 3.56Å; F258-V275 HydrophobicContact CE1-CB 3.99Å; F258-V275 HydrophobicContact CZ-CB 4.46Å
259	E	89.3	Confident	92.6	Very high	130 Å²	130	55.7 Å²	55.7	61%	0.607	30%	0.3	S	S	*	.			trans	-90.7	131.5	179.9	-167.6	171.5	-174.7	0	0	111	Q256 L269	Q256-E259 HydrophobicContact CB-CB 4.22Å; E259-L269 WeakPolarHBondContact O-CD1 3.29Å
260	A	90.9	Very high	92.4	Very high	31 Å²	31	55.5 Å²	55.5	26%	0.256	30%	0.299	S	S	.	.			trans	-153.9	157.7	175	0	0	0	0	0	111.5	T262 K265 M266 L269	A260-T262 VanDerWaalsContact C-N 3.26Å; A260-T262 PolarHBondContact O-N 3.45Å; A260-K265 HydrophobicContact CB-CB 3.59Å; A260-M266 HydrophobicContact CB-CB 4.09Å; A260-L269 HydrophobicContact CB-CD1 4.03Å
261	E	90	Very high	92.2	Very high	169 Å²	169	58.4 Å²	58.4	79%	0.79	31%	0.313	S	S	*	.	S	Bend	trans	-64.2	-27.2	-179.3	-62.2	167.6	166.9	0	0	113.9	K265	E261-K265 IonicContact OE2-NZ 3.31Å; E261-K265 PolarHBondContact OE2-NZ 2.76Å
262	T	91.6	Very high	92	Very high	68 Å²	68	62.5 Å²	62.5	42%	0.417	34%	0.338	S	S	.	.	S	Bend	trans	-130.1	150.1	-179.1	73	0	0	0	0	110.6	A260 G264 K265 M266	A260-T262 VanDerWaalsContact C-N 3.26Å; A260-T262 PolarHBondContact O-N 3.45Å; T262-G264 PolarHBondContact O-N 3.44Å; T262-K265 PolarHBondContact O-N 3.32Å; T262-K265 VanDerWaalsContact O-N 3.17Å; T262-K265 WeakPolarHBondContact OG1-CG 3.42Å; T262-K265 PolarHBondContact OG1-N 2.96Å; T262-K265 VanDerWaalsContact OG1-N 3.13Å; T262-M266 PolarHBondContact O-N 2.73Å
263	T	88	Confident	91.8	Very high	106 Å²	106	63.9 Å²	63.9	65%	0.65	35%	0.346	S	S	*	.	H	α-helix	trans	-56.9	-35.6	173.9	51.6	0	0	0	0	111.8	M266 K267	T263-M266 PolarHBondContact O-N 3.12Å; T263-K267 WeakPolarHBondContact O-CB 3.43Å; T263-K267 PolarHBondContact O-N 3.37Å
264	G	90.5	Very high	91.5	Very high	43 Å²	43	66.2 Å²	66.2	44%	0.443	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-46.6	175	0	0	0	0	0	113.3	T262 M266 K267 Q268	T262-G264 PolarHBondContact O-N 3.44Å; G264-M266 VanDerWaalsContact C-N 3.35Å; G264-K267 PolarHBondContact O-N 3.5Å; G264-Q268 PolarHBondContact O-N 3.4Å
265	K	92.6	Very high	91.1	Very high	98 Å²	98	66.6 Å²	66.6	43%	0.426	36%	0.362	S	S	.	.	H	α-helix	trans	-64.6	-40.1	175.1	-72.7	178.6	-177.3	-179	0	111.2	A260 E261 T262 Q268 L269	A260-K265 HydrophobicContact CB-CB 3.59Å; E261-K265 IonicContact OE2-NZ 3.31Å; E261-K265 PolarHBondContact OE2-NZ 2.76Å; T262-K265 PolarHBondContact O-N 3.32Å; T262-K265 VanDerWaalsContact O-N 3.17Å; T262-K265 WeakPolarHBondContact OG1-CG 3.42Å; T262-K265 PolarHBondContact OG1-N 2.96Å; T262-K265 VanDerWaalsContact OG1-N 3.13Å; K265-Q268 WeakPolarHBondContact O-CB 3.4Å; K265-Q268 PolarHBondContact O-N 2.76Å; K265-L269 WeakPolarHBondContact O-CG 3.41Å; K265-L269 PolarHBondContact O-N 3.39Å
266	M	92.8	Very high	91	Very high	27 Å²	27	73 Å²	73	13%	0.133	38%	0.379	C	S	.	.	H	α-helix	trans	-61.9	-46.2	176.4	-178.1	173.4	-60.1	0	0	111.6	M216 P217 F258 A260 T262 T263 G264 Q268 L269 I270	M216-M266 HydrophobicContact CB-SD 3.99Å; M216-M266 HydrophobicContact SD-SD 4.45Å; P217-M266 HydrophobicContact CB-SD 4.08Å; F258-M266 HydrophobicContact CB-CG 4.47Å; F258-M266 WeakPolarHBondContact O-CE 3.29Å; F258-M266 VanDerWaalsContact O-CG 3.29Å; F258-M266 WeakPolarHBondContact O-CG 3.38Å; A260-M266 HydrophobicContact CB-CB 4.09Å; T262-M266 PolarHBondContact O-N 2.73Å; T263-M266 PolarHBondContact O-N 3.12Å; G264-M266 VanDerWaalsContact C-N 3.35Å; M266-Q268 VanDerWaalsContact C-N 3.29Å; M266-Q268 PolarHBondContact O-N 3.46Å; M266-L269 PolarHBondContact O-N 2.91Å; M266-I270 HydrophobicContact CG-CD1 4.12Å; M266-I270 WeakPolarHBondContact O-CG1 2.98Å; M266-I270 PolarHBondContact O-N 2.95Å
267	K	91.4	Very high	91.1	Very high	61 Å²	61	71.2 Å²	71.2	27%	0.265	37%	0.372	S	S	.	.	H	α-helix	trans	-55.4	-44.5	172.5	171	174.8	167.5	170.1	0	111.2	F224 H225 T263 G264 I270 Q271	F224-K267 HydrophobicContact CB-CD 3.9Å; F224-K267 HydrophobicContact CB-CG 4.02Å; F224-K267 HydrophobicContact CD1-CD 4.33Å; F224-K267 HydrophobicContact CD1-CG 4.35Å; F224-K267 HydrophobicContact CD2-CG 4.43Å; F224-K267 HydrophobicContact CG-CD 4.21Å; F224-K267 HydrophobicContact CG-CG 4.03Å; H225-K267 PolarHBondContact O-NZ 3.46Å; H225-K267 VanDerWaalsContact O-NZ 3.08Å; T263-K267 WeakPolarHBondContact O-CB 3.43Å; T263-K267 PolarHBondContact O-N 3.37Å; G264-K267 PolarHBondContact O-N 3.5Å; K267-I270 PolarHBondContact O-N 3.46Å; K267-Q271 HydrophobicContact CG-CG 4.29Å; K267-Q271 WeakPolarHBondContact O-CB 3.23Å; K267-Q271 WeakPolarHBondContact O-CG 3.33Å; K267-Q271 PolarHBondContact O-N 3Å
268	Q	92.8	Very high	91.4	Very high	121 Å²	121	71.3 Å²	71.3	57%	0.565	37%	0.372	S	S	*	.	H	α-helix	trans	-62	-43.1	177	-173.7	-176.6	-1.4	0	0	112.4	G264 K265 M266 I270 Q271 T272	G264-Q268 PolarHBondContact O-N 3.4Å; K265-Q268 WeakPolarHBondContact O-CB 3.4Å; K265-Q268 PolarHBondContact O-N 2.76Å; M266-Q268 VanDerWaalsContact C-N 3.29Å; M266-Q268 PolarHBondContact O-N 3.46Å; Q268-I270 VanDerWaalsContact C-N 3.31Å; Q268-I270 PolarHBondContact O-N 3.14Å; Q268-Q271 PolarHBondContact O-N 3.49Å; Q268-T272 WeakPolarHBondContact O-CB 3.18Å; Q268-T272 WeakPolarHBondContact O-CG2 3.42Å; Q268-T272 PolarHBondContact O-N 2.88Å; Q268-T272 PolarHBondContact O-OG1 2.88Å
269	L	94	Very high	91.5	Very high	46 Å²	46	77.4 Å²	77.4	24%	0.241	41%	0.41	C	S	.	.	H	α-helix	trans	-60.4	-42	175.7	-68.2	177.1	0	0	0	111.5	F258 E259 A260 K265 M266 T272 V273 S274	F258-L269 HydrophobicContact CB-CB 4.4Å; F258-L269 HydrophobicContact CD1-CB 4.06Å; E259-L269 WeakPolarHBondContact O-CD1 3.29Å; A260-L269 HydrophobicContact CB-CD1 4.03Å; K265-L269 WeakPolarHBondContact O-CG 3.41Å; K265-L269 PolarHBondContact O-N 3.39Å; M266-L269 PolarHBondContact O-N 2.91Å; L269-T272 PolarHBondContact O-OG1 3.17Å; L269-V273 WeakPolarHBondContact O-CA 3.38Å; L269-V273 PolarHBondContact O-N 3.5Å; L269-S274 PolarHBondContact O-N 3.45Å
270	I	93.6	Very high	91.7	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-66.8	-47.8	177.8	-64.5	164.3	0	0	0	111	M216 P221 F224 W242 F258 M266 K267 Q268 T272 V273	M216-I270 HydrophobicContact CG-CD1 4.41Å; P221-I270 HydrophobicContact CB-CG2 4.25Å; P221-I270 HydrophobicContact CG-CG2 3.76Å; F224-I270 HydrophobicContact CD2-CG2 4.27Å; F224-I270 HydrophobicContact CE2-CB 4.15Å; F224-I270 HydrophobicContact CE2-CD1 3.93Å; F224-I270 HydrophobicContact CE2-CG2 3.65Å; F224-I270 HydrophobicContact CZ-CD1 3.95Å; W242-I270 HydrophobicContact CH2-CG2 4.33Å; W242-I270 HydrophobicContact CZ2-CG2 3.73Å; F258-I270 HydrophobicContact CB-CD1 4.39Å; F258-I270 HydrophobicContact CB-CG1 3.77Å; F258-I270 HydrophobicContact CD1-CG1 4.03Å; F258-I270 HydrophobicContact CD2-CG1 3.69Å; F258-I270 HydrophobicContact CE2-CG1 4.25Å; F258-I270 HydrophobicContact CG-CG1 3.56Å; M266-I270 HydrophobicContact CG-CD1 4.12Å; M266-I270 WeakPolarHBondContact O-CG1 2.98Å; M266-I270 PolarHBondContact O-N 2.95Å; K267-I270 PolarHBondContact O-N 3.46Å; Q268-I270 VanDerWaalsContact C-N 3.31Å; Q268-I270 PolarHBondContact O-N 3.14Å; I270-T272 PolarHBondContact O-N 2.74Å; I270-V273 PolarHBondContact O-N 3.25Å
271	Q	93.1	Very high	91.9	Very high	69 Å²	69	75.6 Å²	75.6	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-67.3	-20.2	-179.3	-72.2	-178	-44.4	0	0	113.8	F224 K267 Q268 L295	F224-Q271 HydrophobicContact CD2-CG 4.4Å; F224-Q271 PolarHBondContact O-NE2 2.96Å; F224-Q271 VanDerWaalsContact O-NE2 3.08Å; K267-Q271 HydrophobicContact CG-CG 4.29Å; K267-Q271 WeakPolarHBondContact O-CB 3.23Å; K267-Q271 WeakPolarHBondContact O-CG 3.33Å; K267-Q271 PolarHBondContact O-N 3Å; Q268-Q271 PolarHBondContact O-N 3.49Å; Q271-L295 VanDerWaalsContact O-CD1 3.25Å; Q271-L295 WeakPolarHBondContact O-CD1 3.38Å
272	T	93.2	Very high	92.1	Very high	86 Å²	86	69 Å²	69	53%	0.528	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-3	173	55.5	0	0	0	0	113.1	Q268 L269 I270 S274	Q268-T272 WeakPolarHBondContact O-CB 3.18Å; Q268-T272 WeakPolarHBondContact O-CG2 3.42Å; Q268-T272 PolarHBondContact O-N 2.88Å; Q268-T272 PolarHBondContact O-OG1 2.88Å; L269-T272 PolarHBondContact O-OG1 3.17Å; I270-T272 PolarHBondContact O-N 2.74Å; T272-S274 PolarHBondContact O-N 3.3Å; T272-S274 WeakPolarHBondContact OG1-CB 3.13Å
273	V	93	Very high	92.4	Very high	32 Å²	32	71.6 Å²	71.6	19%	0.194	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	40.6	-171.3	-160.9	0	0	0	0	111.2	W242 L269 I270 V275 L293 L295	W242-V273 HydrophobicContact CH2-CG1 4.21Å; W242-V273 HydrophobicContact CH2-CG2 4.13Å; W242-V273 HydrophobicContact CZ3-CG1 4.49Å; W242-V273 HydrophobicContact CZ3-CG2 4.29Å; L269-V273 WeakPolarHBondContact O-CA 3.38Å; L269-V273 PolarHBondContact O-N 3.5Å; I270-V273 PolarHBondContact O-N 3.25Å; V273-V275 VanDerWaalsContact C-N 3.34Å; V273-V275 HydrophobicContact CG1-CG1 4.49Å; V273-V275 PolarHBondContact O-N 2.57Å; V273-L293 HydrophobicContact CG1-CB 4.01Å; V273-L293 WeakPolarHBondContact CG1-O 3.4Å; V273-L295 HydrophobicContact CG2-CB 3.94Å
274	S	90.2	Very high	92.8	Very high	66 Å²	66	69.2 Å²	69.2	46%	0.462	36%	0.36	S	S	.	.			trans	-78.8	85.4	-178.1	-174.9	0	0	0	0	109.5	L269 T272	L269-S274 PolarHBondContact O-N 3.45Å; T272-S274 PolarHBondContact O-N 3.3Å; T272-S274 WeakPolarHBondContact OG1-CB 3.13Å
275	V	88.5	Confident	93.1	Very high	39 Å²	39	67.1 Å²	67.1	24%	0.236	34%	0.339	C	S	.	.			trans	-134	126	-179.9	70.4	0	0	0	0	110.3	L249 P257 F258 V273 L293	L249-V275 HydrophobicContact CD2-CG2 3.36Å; P257-V275 HydrophobicContact CB-CG2 4.21Å; F258-V275 HydrophobicContact CE1-CB 3.99Å; F258-V275 HydrophobicContact CZ-CB 4.46Å; V273-V275 VanDerWaalsContact C-N 3.34Å; V273-V275 HydrophobicContact CG1-CG1 4.49Å; V273-V275 PolarHBondContact O-N 2.57Å; V275-L293 HydrophobicContact CG1-CD1 4.28Å
276	R	88.4	Confident	93.3	Very high	236 Å²	236	64.9 Å²	64.9	89%	0.891	33%	0.329	S	S	*	.			trans	-92.2	111.2	177.9	-171.4	179.8	-66.5	-178.2	0.3	109.3
277	L	93	Very high	93.5	Very high	47 Å²	47	66.1 Å²	66.1	25%	0.246	34%	0.336	C	S	.	.			trans	-68.9	130.8	175.8	-62.1	179.3	0	0	0	110.3	L249 K286 I289	L249-L277 HydrophobicContact CD1-CD2 4.19Å; L249-L277 HydrophobicContact CD2-CD2 4.37Å; L277-K286 HydrophobicContact CB-CG 4.26Å; L277-K286 HydrophobicContact CD1-CB 3.88Å; L277-K286 HydrophobicContact CD1-CG 4.08Å; L277-I289 HydrophobicContact CD2-CB 4.27Å; L277-I289 HydrophobicContact CD2-CD1 4.46Å; L277-I289 HydrophobicContact CD2-CG2 3.72Å
278	P	91.4	Very high	93.8	Very high	22 Å²	22	63.2 Å²	63.2	14%	0.143	32%	0.323	C	S	.	.			trans	-62.6	149.7	-179.2	-13.8	21.4	0	0	0	112.7	T253 F280 I281 K286	T253-P278 HydrophobicContact CG2-CG 3.47Å; T253-P278 VanDerWaalsContact CG2-CG 3.47Å; P278-F280 VanDerWaalsContact C-N 3.29Å; P278-F280 HydrophobicContact CB-CD1 3.59Å; P278-F280 HydrophobicContact CB-CD2 4.28Å; P278-F280 HydrophobicContact CB-CE1 3.27Å; P278-F280 HydrophobicContact CB-CE2 3.98Å; P278-F280 HydrophobicContact CB-CG 4.09Å; P278-F280 HydrophobicContact CB-CZ 3.47Å; P278-F280 VanDerWaalsContact CB-CZ 3.47Å; P278-F280 HydrophobicContact CG-CE1 3.98Å; P278-F280 HydrophobicContact CG-CE2 4.26Å; P278-F280 HydrophobicContact CG-CZ 3.72Å; P278-F280 PolarHBondContact O-N 3.42Å; P278-I281 HydrophobicContact CB-CG1 4.48Å; P278-I281 VanDerWaalsContact O-CG1 3.23Å; P278-I281 WeakPolarHBondContact O-CG1 3.45Å; P278-K286 WeakPolarHBondContact O-CE 3.43Å
279	T	92.7	Very high	94	Very high	129 Å²	129	57.5 Å²	57.5	79%	0.791	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-29.5	177.5	51.3	0	0	0	0	112.5	I281 K286	T279-I281 VanDerWaalsContact C-N 3.3Å; T279-I281 PolarHBondContact O-N 3.37Å; T279-K286 PolarHBondContact O-NZ 2.86Å
280	F	93.5	Very high	94.1	Very high	113 Å²	113	57.1 Å²	57.1	50%	0.496	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7	-174.1	62.1	-105.9	0	0	0	115.4	K148 I252 T253 P278	K148-F280 HydrophobicContact CD-CE2 3.99Å; K148-F280 HydrophobicContact CD-CZ 4.1Å; I252-F280 WeakPolarHBondContact O-CE2 3.44Å; T253-F280 HydrophobicContact CG2-CZ 4.45Å; P278-F280 VanDerWaalsContact C-N 3.29Å; P278-F280 HydrophobicContact CB-CD1 3.59Å; P278-F280 HydrophobicContact CB-CD2 4.28Å; P278-F280 HydrophobicContact CB-CE1 3.27Å; P278-F280 HydrophobicContact CB-CE2 3.98Å; P278-F280 HydrophobicContact CB-CG 4.09Å; P278-F280 HydrophobicContact CB-CZ 3.47Å; P278-F280 VanDerWaalsContact CB-CZ 3.47Å; P278-F280 HydrophobicContact CG-CE1 3.98Å; P278-F280 HydrophobicContact CG-CE2 4.26Å; P278-F280 HydrophobicContact CG-CZ 3.72Å; P278-F280 PolarHBondContact O-N 3.42Å
281	I	94.7	Very high	94.3	Very high	9 Å²	9	62.5 Å²	62.5	5%	0.046	32%	0.318	C	S	.	.	S	Bend	trans	-93.7	150.9	175.6	58.5	160.4	0	0	0	110.8	E151 I252 P278 T279 C285 K286 I289	E151-I281 WeakPolarHBondContact OE1-CA 3.39Å; I252-I281 HydrophobicContact CB-CG2 4.39Å; I252-I281 HydrophobicContact CD1-CB 4.38Å; I252-I281 HydrophobicContact CD1-CD1 3.67Å; I252-I281 HydrophobicContact CD1-CG1 4.46Å; I252-I281 HydrophobicContact CD1-CG2 3.64Å; P278-I281 HydrophobicContact CB-CG1 4.48Å; P278-I281 VanDerWaalsContact O-CG1 3.23Å; P278-I281 WeakPolarHBondContact O-CG1 3.45Å; T279-I281 VanDerWaalsContact C-N 3.3Å; T279-I281 PolarHBondContact O-N 3.37Å; I281-C285 HydrophobicContact CB-CB 4.4Å; I281-C285 HydrophobicContact CD1-CB 4.4Å; I281-K286 HydrophobicContact CD1-CG 3.59Å; I281-K286 HydrophobicContact CG1-CD 4.42Å; I281-K286 HydrophobicContact CG1-CG 3.76Å; I281-K286 WeakPolarHBondContact O-CE 3.41Å; I281-K286 PolarHBondContact O-NZ 3.03Å; I281-I289 HydrophobicContact CD1-CD1 4.31Å
282	S	96	Very high	94.6	Very high	31 Å²	31	59.2 Å²	59.2	22%	0.217	30%	0.303	C	S	.	.			trans	-59.9	153.2	-179.2	68.5	0	0	0	0	112	E151 E284 C285 K286	E151-S282 WeakPolarHBondContact OE1-CB 3.38Å; E151-S282 PolarHBondContact OE1-N 2.93Å; E151-S282 PolarHBondContact OE1-OG 3.28Å; E151-S282 PolarHBondContact OE2-OG 3.13Å; S282-E284 PolarHBondContact O-N 2.71Å; S282-C285 PolarHBondContact O-N 3.14Å; S282-C285 VanDerWaalsContact O-N 3.17Å; S282-C285 VanDerWaalsContact OG-CB 3.29Å; S282-C285 WeakPolarHBondContact OG-CB 3.37Å; S282-C285 PolarHBondContact OG-N 2.79Å; S282-C285 VanDerWaalsContact OG-N 3.1Å; S282-K286 WeakPolarHBondContact O-CG 3.29Å; S282-K286 PolarHBondContact O-N 3.1Å
283	N	96.6	Very high	94.8	Very high	123 Å²	123	55.5 Å²	55.5	66%	0.658	28%	0.28	S	S	*	.	H	α-helix	trans	-62.9	-33.3	177	-70.1	-25.3	0	0	0	111.3	K286 D287	N283-K286 PolarHBondContact O-N 2.92Å; N283-D287 WeakPolarHBondContact O-CB 3.46Å; N283-D287 PolarHBondContact O-N 3.23Å
284	E	96	Very high	95	Very high	55 Å²	55	59.7 Å²	59.7	26%	0.257	29%	0.292	S	S	.	.	H	α-helix	trans	-69.2	-36.5	175.5	-58.7	93.1	147.3	0	0	112.2	S282 D287 M288 H309 P310 W311 R314	S282-E284 PolarHBondContact O-N 2.71Å; E284-D287 PolarHBondContact O-N 2.88Å; E284-M288 WeakPolarHBondContact O-CB 3.48Å; E284-M288 PolarHBondContact O-N 3.31Å; E284-H309 PolarHBondContact O-CE1 3.38Å; E284-P310 HydrophobicContact CG-CB 4.4Å; E284-W311 HydrophobicContact CB-CB 3.89Å; E284-W311 HydrophobicContact CB-CG 4.47Å; E284-R314 VanDerWaalsContact CD-NH1 3.32Å; E284-R314 IonicContact OE1-CZ 2.72Å; E284-R314 VanDerWaalsContact OE1-CZ 3.26Å; E284-R314 IonicContact OE1-NH1 2.99Å; E284-R314 PolarHBondContact OE1-NH1 3.32Å; E284-R314 IonicContact OE1-NH2 2.69Å; E284-R314 PolarHBondContact OE1-NH2 2.9Å; E284-R314 IonicContact OE2-NH1 2.64Å
285	C	96.5	Very high	95.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-44.5	173.3	-168.2	0	0	0	0	110.9	I281 S282 D287 M288 I289 W311	I281-C285 HydrophobicContact CB-CB 4.4Å; I281-C285 HydrophobicContact CD1-CB 4.4Å; S282-C285 PolarHBondContact O-N 3.14Å; S282-C285 VanDerWaalsContact O-N 3.17Å; S282-C285 VanDerWaalsContact OG-CB 3.29Å; S282-C285 WeakPolarHBondContact OG-CB 3.37Å; S282-C285 PolarHBondContact OG-N 2.79Å; S282-C285 VanDerWaalsContact OG-N 3.1Å; C285-D287 VanDerWaalsContact C-N 3.34Å; C285-D287 PolarHBondContact O-N 3.42Å; C285-M288 PolarHBondContact O-N 3.27Å; C285-I289 WeakPolarHBondContact O-CG1 3.36Å; C285-I289 PolarHBondContact O-N 2.72Å; C285-W311 VanDerWaalsContact CA-CD1 3.49Å; C285-W311 HydrophobicContact CB-CG 4.37Å
286	K	97.2	Very high	95.5	Very high	50 Å²	50	62.2 Å²	62.2	22%	0.217	30%	0.299	C	S	.	.	H	α-helix	trans	-57.8	-46.3	174.7	-69.2	172.6	-175.1	157.1	0	111.6	L277 P278 T279 I281 S282 N283 I289 S290	L277-K286 HydrophobicContact CB-CG 4.26Å; L277-K286 HydrophobicContact CD1-CB 3.88Å; L277-K286 HydrophobicContact CD1-CG 4.08Å; P278-K286 WeakPolarHBondContact O-CE 3.43Å; T279-K286 PolarHBondContact O-NZ 2.86Å; I281-K286 HydrophobicContact CD1-CG 3.59Å; I281-K286 HydrophobicContact CG1-CD 4.42Å; I281-K286 HydrophobicContact CG1-CG 3.76Å; I281-K286 WeakPolarHBondContact O-CE 3.41Å; I281-K286 PolarHBondContact O-NZ 3.03Å; S282-K286 WeakPolarHBondContact O-CG 3.29Å; S282-K286 PolarHBondContact O-N 3.1Å; N283-K286 PolarHBondContact O-N 2.92Å; K286-I289 PolarHBondContact O-N 2.81Å; K286-S290 VanDerWaalsContact O-CB 3.24Å; K286-S290 WeakPolarHBondContact O-CB 3.46Å; K286-S290 PolarHBondContact O-N 2.96Å; K286-S290 PolarHBondContact O-OG 2.72Å
287	D	97.4	Very high	95.8	Very high	53 Å²	53	52.5 Å²	52.5	28%	0.283	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-47.9	178.7	-171.1	55.7	0	0	0	110.8	N283 E284 C285 I289 S290 R291 H309	N283-D287 WeakPolarHBondContact O-CB 3.46Å; N283-D287 PolarHBondContact O-N 3.23Å; E284-D287 PolarHBondContact O-N 2.88Å; C285-D287 VanDerWaalsContact C-N 3.34Å; C285-D287 PolarHBondContact O-N 3.42Å; D287-I289 PolarHBondContact O-N 3.22Å; D287-S290 PolarHBondContact O-N 3.49Å; D287-S290 PolarHBondContact O-OG 2.94Å; D287-R291 VanDerWaalsContact O-CG 3.29Å; D287-R291 WeakPolarHBondContact O-CG 3.49Å; D287-R291 PolarHBondContact O-N 3.4Å; D287-R291 IonicContact OD1-CZ 3.65Å; D287-R291 IonicContact OD1-NE 3.92Å; D287-R291 PolarHBondContact OD1-NE 3.24Å; D287-R291 IonicContact OD1-NH2 3.21Å; D287-R291 PolarHBondContact OD1-NH2 3.45Å; D287-R291 IonicContact OD2-CZ 2.71Å; D287-R291 IonicContact OD2-NE 3.87Å; D287-R291 PolarHBondContact OD2-NE 3.3Å; D287-R291 IonicContact OD2-NH2 3.41Å; D287-R291 PolarHBondContact OD2-NH2 3.36Å; D287-H309 IonicContact OD2-CE1 2.91Å; D287-H309 IonicContact OD2-NE2 2.88Å; D287-H309 PolarHBondContact OD2-NE2 3.26Å; D287-H309 VanDerWaalsContact OD2-NE2 3.1Å
288	M	97.3	Very high	95.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-54.9	-55.1	176.6	-175.1	67.6	163.7	0	0	111.6	Y158 L248 E284 C285 S290 R291 I292 L301 Q306 H309 W311	Y158-M288 HydrophobicContact CD1-CE 4.49Å; Y158-M288 HydrophobicContact CE1-CE 3.6Å; L248-M288 HydrophobicContact CD2-CG 4.26Å; E284-M288 WeakPolarHBondContact O-CB 3.48Å; E284-M288 PolarHBondContact O-N 3.31Å; C285-M288 PolarHBondContact O-N 3.27Å; M288-S290 PolarHBondContact O-N 3.26Å; M288-R291 PolarHBondContact O-N 3.13Å; M288-I292 HydrophobicContact CE-CD1 3.99Å; M288-I292 HydrophobicContact CG-CD1 3.82Å; M288-I292 WeakPolarHBondContact O-CD1 3.2Å; M288-I292 VanDerWaalsContact O-CG1 3.29Å; M288-I292 WeakPolarHBondContact O-CG1 3.2Å; M288-I292 PolarHBondContact O-N 3.17Å; M288-I292 VanDerWaalsContact O-N 3.09Å; M288-I292 HydrophobicContact SD-CD1 4.1Å; M288-L301 HydrophobicContact SD-CD1 3.93Å; M288-Q306 HydrophobicContact CE-CB 3.46Å; M288-Q306 VanDerWaalsContact CE-CB 3.46Å; M288-Q306 HydrophobicContact CE-CG 3.65Å; M288-Q306 HydrophobicContact SD-CB 4.48Å; M288-Q306 HydrophobicContact SD-CG 4.32Å; M288-H309 HydrophobicContact CE-CB 4.29Å; M288-H309 PolarHBondContact N-CE1 3.06Å; M288-H309 HydrophobicContact SD-CB 3.59Å; M288-H309 VanDerWaalsContact SD-CB 3.59Å; M288-W311 HydrophobicContact CB-CB 4.39Å; M288-W311 HydrophobicContact CG-CE3 4.38Å
289	I	97.6	Very high	96.2	Very high	1 Å²	1	64 Å²	64	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-45.5	-178.2	-65	168.9	0	0	0	110.4	L248 L249 I252 L277 I281 C285 K286 D287 R291 I292 L293	L248-I289 HydrophobicContact CD2-CD1 4.28Å; L248-I289 HydrophobicContact CD2-CG1 3.75Å; L248-I289 HydrophobicContact CG-CD1 4.16Å; L248-I289 HydrophobicContact CG-CG1 4.07Å; L249-I289 HydrophobicContact CB-CD1 4.27Å; L249-I289 HydrophobicContact CD1-CD1 4.13Å; L249-I289 HydrophobicContact CD2-CG2 4.46Å; I252-I289 HydrophobicContact CD1-CD1 3.8Å; L277-I289 HydrophobicContact CD2-CB 4.27Å; L277-I289 HydrophobicContact CD2-CD1 4.46Å; L277-I289 HydrophobicContact CD2-CG2 3.72Å; I281-I289 HydrophobicContact CD1-CD1 4.31Å; C285-I289 WeakPolarHBondContact O-CG1 3.36Å; C285-I289 PolarHBondContact O-N 2.72Å; K286-I289 PolarHBondContact O-N 2.81Å; D287-I289 PolarHBondContact O-N 3.22Å; I289-R291 VanDerWaalsContact C-N 3.26Å; I289-R291 PolarHBondContact O-N 2.94Å; I289-I292 PolarHBondContact O-N 3.37Å; I289-L293 HydrophobicContact CG2-CD1 3.61Å; I289-L293 HydrophobicContact CG2-CG 4.04Å; I289-L293 WeakPolarHBondContact O-CB 3.43Å; I289-L293 PolarHBondContact O-N 3.21Å
290	S	96.9	Very high	96.5	Very high	38 Å²	38	58 Å²	58	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-64.9	-26.5	-178	76.7	0	0	0	0	113.9	K286 D287 M288 R294	K286-S290 VanDerWaalsContact O-CB 3.24Å; K286-S290 WeakPolarHBondContact O-CB 3.46Å; K286-S290 PolarHBondContact O-N 2.96Å; K286-S290 PolarHBondContact O-OG 2.72Å; D287-S290 PolarHBondContact O-N 3.49Å; D287-S290 PolarHBondContact O-OG 2.94Å; M288-S290 PolarHBondContact O-N 3.26Å; S290-R294 PolarHBondContact O-NE 2.73Å
291	R	97.6	Very high	96.6	Very high	114 Å²	114	53.5 Å²	53.5	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-90.9	-17.6	177.1	-61.5	176.3	-177.2	-132.6	6.2	112.8	D287 M288 I289 R300 L301	D287-R291 VanDerWaalsContact O-CG 3.29Å; D287-R291 WeakPolarHBondContact O-CG 3.49Å; D287-R291 PolarHBondContact O-N 3.4Å; D287-R291 IonicContact OD1-CZ 3.65Å; D287-R291 IonicContact OD1-NE 3.92Å; D287-R291 PolarHBondContact OD1-NE 3.24Å; D287-R291 IonicContact OD1-NH2 3.21Å; D287-R291 PolarHBondContact OD1-NH2 3.45Å; D287-R291 IonicContact OD2-CZ 2.71Å; D287-R291 IonicContact OD2-NE 3.87Å; D287-R291 PolarHBondContact OD2-NE 3.3Å; D287-R291 IonicContact OD2-NH2 3.41Å; D287-R291 PolarHBondContact OD2-NH2 3.36Å; M288-R291 PolarHBondContact O-N 3.13Å; I289-R291 VanDerWaalsContact C-N 3.26Å; I289-R291 PolarHBondContact O-N 2.94Å; R291-R300 WeakPolarHBondContact O-CA 2.91Å; R291-L301 HydrophobicContact CB-CD1 3.59Å; R291-L301 HydrophobicContact CB-CD2 4.14Å; R291-L301 HydrophobicContact CB-CG 3.53Å; R291-L301 PolarHBondContact O-N 3.32Å
292	I	98	Very high	96.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-82.7	-48.4	170	-64.2	161	0	0	0	110.6	Y158 L241 M288 I289 R294 R300 L301 Q306	Y158-I292 WeakPolarHBondContact OH-CD1 3.4Å; L241-I292 WeakPolarHBondContact O-CG2 3.31Å; M288-I292 HydrophobicContact CE-CD1 3.99Å; M288-I292 HydrophobicContact CG-CD1 3.82Å; M288-I292 WeakPolarHBondContact O-CD1 3.2Å; M288-I292 VanDerWaalsContact O-CG1 3.29Å; M288-I292 WeakPolarHBondContact O-CG1 3.2Å; M288-I292 PolarHBondContact O-N 3.17Å; M288-I292 VanDerWaalsContact O-N 3.09Å; M288-I292 HydrophobicContact SD-CD1 4.1Å; I289-I292 PolarHBondContact O-N 3.37Å; I292-R294 PolarHBondContact O-N 2.89Å; I292-R300 WeakPolarHBondContact O-CD 3.31Å; I292-R300 VanDerWaalsContact O-CG 3.23Å; I292-R300 WeakPolarHBondContact O-CG 3.47Å; I292-L301 HydrophobicContact CG1-CB 4.45Å; I292-L301 HydrophobicContact CG1-CD1 4.38Å; I292-Q306 HydrophobicContact CD1-CG 4.44Å; I292-Q306 HydrophobicContact CG1-CG 4.27Å
293	L	97.2	Very high	96.6	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.042	26%	0.264	C	S	.	.	S	Bend	trans	-80.2	69.4	-178.9	-58	-173.6	0	0	0	110	W242 V246 L249 V273 V275 I289	W242-L293 HydrophobicContact CD2-CD2 3.93Å; W242-L293 HydrophobicContact CE3-CD2 3.91Å; W242-L293 HydrophobicContact CH2-CB 4.49Å; W242-L293 HydrophobicContact CH2-CD2 4.31Å; W242-L293 HydrophobicContact CZ2-CD2 4.31Å; W242-L293 HydrophobicContact CZ3-CB 4.13Å; W242-L293 HydrophobicContact CZ3-CD2 4.12Å; V246-L293 HydrophobicContact CG2-CD2 3.87Å; L249-L293 HydrophobicContact CD2-CD1 4.41Å; V273-L293 HydrophobicContact CG1-CB 4.01Å; V273-L293 WeakPolarHBondContact CG1-O 3.4Å; V275-L293 HydrophobicContact CG1-CD1 4.28Å; I289-L293 HydrophobicContact CG2-CD1 3.61Å; I289-L293 HydrophobicContact CG2-CG 4.04Å; I289-L293 WeakPolarHBondContact O-CB 3.43Å; I289-L293 PolarHBondContact O-N 3.21Å
294	R	97.3	Very high	96.4	Very high	119 Å²	119	53 Å²	53	45%	0.449	26%	0.255	S	S	.	.			trans	-110.1	135	172.1	-65.8	-68.2	177.8	158.5	0.5	109.8	S290 I292 N296 H299 R300	S290-R294 PolarHBondContact O-NE 2.73Å; I292-R294 PolarHBondContact O-N 2.89Å; R294-N296 PolarHBondContact O-N 3.35Å; R294-H299 HydrophobicContact CB-CB 4.22Å; R294-H299 HydrophobicContact CG-CB 4.36Å; R294-R300 HydrophobicContact CB-CG 4.02Å; R294-R300 PolarHBondContact O-NE 3.36Å; R294-R300 PolarHBondContact O-NH2 3.44Å
295	L	95	Very high	96.4	Very high	91 Å²	91	55.4 Å²	55.4	48%	0.476	27%	0.266	S	S	.	.	S	Bend	trans	-55.9	-52.8	179.4	-177.4	59.3	0	0	0	110.7	P221 Q271 V273 P297 R300	P221-L295 HydrophobicContact CB-CD1 3.53Å; P221-L295 HydrophobicContact CG-CD1 3.89Å; Q271-L295 VanDerWaalsContact O-CD1 3.25Å; Q271-L295 WeakPolarHBondContact O-CD1 3.38Å; V273-L295 HydrophobicContact CG2-CB 3.94Å; L295-P297 VanDerWaalsContact O-CD 3.31Å; L295-P297 WeakPolarHBondContact O-CD 3.03Å; L295-R300 PolarHBondContact O-NH2 2.96Å
296	N	95.1	Very high	96.4	Very high	67 Å²	67	55.4 Å²	55.4	36%	0.358	27%	0.266	S	S	.	.	S	Bend	trans	-75.7	117.9	175.1	-175.5	-14.5	0	0	0	110.7	R294 K298 H299	R294-N296 PolarHBondContact O-N 3.35Å; N296-K298 PolarHBondContact O-N 3.22Å; N296-K298 VanDerWaalsContact O-N 3.09Å; N296-K298 WeakPolarHBondContact OD1-CB 3.29Å; N296-K298 PolarHBondContact OD1-N 3.25Å; N296-H299 PolarHBondContact ND2-NE2 3.36Å; N296-H299 PolarHBondContact O-N 3.3Å
297	P	95.8	Very high	96.2	Very high	33 Å²	33	54.1 Å²	54.1	21%	0.214	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-56.8	-26.4	179	-24.7	34.4	0	0	0	114.3	E222 K238 L295 H299 R300	E222-P297 HydrophobicContact CG-CG 4.42Å; E222-P297 WeakPolarHBondContact OE1-CG 3.45Å; K238-P297 HydrophobicContact CB-CB 3.83Å; K238-P297 HydrophobicContact CG-CB 3.98Å; K238-P297 PolarHBondContact NZ-O 3.47Å; L295-P297 VanDerWaalsContact O-CD 3.31Å; L295-P297 WeakPolarHBondContact O-CD 3.03Å; P297-H299 VanDerWaalsContact C-N 3.27Å; P297-H299 PolarHBondContact O-N 3.34Å; P297-R300 PolarHBondContact O-N 3.21Å
298	K	95.1	Very high	96	Very high	175 Å²	175	56.2 Å²	56.2	76%	0.761	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-68.2	-24.8	177.9	-63.5	-176.3	178.9	-179.5	0	113	N296	N296-K298 PolarHBondContact O-N 3.22Å; N296-K298 VanDerWaalsContact O-N 3.09Å; N296-K298 WeakPolarHBondContact OD1-CB 3.29Å; N296-K298 PolarHBondContact OD1-N 3.25Å
299	H	97	Very high	96	Very high	134 Å²	134	56.7 Å²	56.7	62%	0.62	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-95.1	-4.7	-180	-59.8	-42.2	0	0	0	113.6	R294 N296 P297	R294-H299 HydrophobicContact CB-CB 4.22Å; R294-H299 HydrophobicContact CG-CB 4.36Å; N296-H299 PolarHBondContact ND2-NE2 3.36Å; N296-H299 PolarHBondContact O-N 3.3Å; P297-H299 VanDerWaalsContact C-N 3.27Å; P297-H299 PolarHBondContact O-N 3.34Å
300	R	97.8	Very high	95.9	Very high	5 Å²	5	60.3 Å²	60.3	2%	0.019	30%	0.298	C	S	.	.	S	Bend	trans	-69.2	141	175.2	-59.5	-173.3	-170.9	142.3	10.8	110.4	E222 K238 R291 I292 R294 L295 P297 S302	E222-R300 IonicContact OE1-CZ 2.68Å; E222-R300 IonicContact OE1-NH1 3.46Å; E222-R300 PolarHBondContact OE1-NH1 2.77Å; E222-R300 IonicContact OE1-NH2 3.49Å; E222-R300 PolarHBondContact OE1-NH2 3.23Å; E222-R300 IonicContact OE2-CZ 3.05Å; E222-R300 IonicContact OE2-NH1 2.99Å; E222-R300 IonicContact OE2-NH2 2.8Å; E222-R300 PolarHBondContact OE2-NH2 3.46Å; K238-R300 PolarHBondContact O-NH1 2.84Å; R291-R300 WeakPolarHBondContact O-CA 2.91Å; I292-R300 WeakPolarHBondContact O-CD 3.31Å; I292-R300 VanDerWaalsContact O-CG 3.23Å; I292-R300 WeakPolarHBondContact O-CG 3.47Å; R294-R300 HydrophobicContact CB-CG 4.02Å; R294-R300 PolarHBondContact O-NE 3.36Å; R294-R300 PolarHBondContact O-NH2 3.44Å; L295-R300 PolarHBondContact O-NH2 2.96Å; P297-R300 PolarHBondContact O-N 3.21Å; R300-S302 PolarHBondContact O-N 2.92Å
301	L	97.3	Very high	95.8	Very high	17 Å²	17	58.5 Å²	58.5	9%	0.089	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-54.8	125	168.6	-69.4	175.3	0	0	0	110	L241 M288 R291 I292 Q305 Q306	L241-L301 WeakPolarHBondContact CD1-O 3.46Å; M288-L301 HydrophobicContact SD-CD1 3.93Å; R291-L301 HydrophobicContact CB-CD1 3.59Å; R291-L301 HydrophobicContact CB-CD2 4.14Å; R291-L301 HydrophobicContact CB-CG 3.53Å; R291-L301 PolarHBondContact O-N 3.32Å; I292-L301 HydrophobicContact CG1-CB 4.45Å; I292-L301 HydrophobicContact CG1-CD1 4.38Å; L301-Q305 HydrophobicContact CB-CB 4.32Å; L301-Q305 HydrophobicContact CD2-CB 3.86Å; L301-Q306 HydrophobicContact CB-CG 3.62Å; L301-Q306 HydrophobicContact CD1-CG 4.19Å; L301-Q306 PolarHBondContact O-NE2 3.38Å
302	S	96	Very high	95.6	Very high	39 Å²	39	53.1 Å²	53.1	27%	0.273	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-62	158.2	166.8	62.5	0	0	0	0	111	R300 Q304 Q305 Q306	R300-S302 PolarHBondContact O-N 2.92Å; S302-Q304 PolarHBondContact O-N 2.99Å; S302-Q305 PolarHBondContact O-N 3.05Å; S302-Q305 WeakPolarHBondContact OG-CB 3.29Å; S302-Q305 VanDerWaalsContact OG-CD 3.28Å; S302-Q305 WeakPolarHBondContact OG-CG 3.45Å; S302-Q305 PolarHBondContact OG-N 3.33Å; S302-Q305 PolarHBondContact OG-OE1 3.11Å; S302-Q306 WeakPolarHBondContact O-CG 3.38Å; S302-Q306 PolarHBondContact O-N 3.19Å
303	A	94.7	Very high	95.1	Very high	14 Å²	14	61.6 Å²	61.6	12%	0.116	30%	0.297	C	S	.	.	H	α-helix	trans	-55.2	-38.4	177.7	0	0	0	0	0	112.5	L162 I166 L241 Q306 L307	L162-A303 HydrophobicContact CD1-CB 4.04Å; I166-A303 HydrophobicContact CD1-CB 4.16Å; I166-A303 HydrophobicContact CG1-CB 3.53Å; L241-A303 HydrophobicContact CD2-CB 3.98Å; A303-Q306 WeakPolarHBondContact O-CB 3.47Å; A303-Q306 PolarHBondContact O-N 3.13Å; A303-L307 PolarHBondContact O-N 3.49Å
304	Q	91.7	Very high	94.1	Very high	101 Å²	101	68.3 Å²	68.3	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-67.5	-39.1	176.9	-170.9	58.4	51.1	0	0	112.9	S302 Q306 L307 N308	S302-Q304 PolarHBondContact O-N 2.99Å; Q304-Q306 VanDerWaalsContact C-N 3.33Å; Q304-L307 PolarHBondContact O-N 3.15Å; Q304-N308 PolarHBondContact NE2-ND2 3.29Å; Q304-N308 PolarHBondContact O-N 3.09Å; Q304-N308 PolarHBondContact O-ND2 3.12Å
305	Q	96.4	Very high	92.5	Very high	104 Å²	104	62.9 Å²	62.9	49%	0.486	30%	0.302	S	S	.	.	H	α-helix	trans	-67.6	-36.8	174.7	-71.3	166.3	-45.2	0	0	111.4	L301 S302 N308 H309	L301-Q305 HydrophobicContact CB-CB 4.32Å; L301-Q305 HydrophobicContact CD2-CB 3.86Å; S302-Q305 PolarHBondContact O-N 3.05Å; S302-Q305 WeakPolarHBondContact OG-CB 3.29Å; S302-Q305 VanDerWaalsContact OG-CD 3.28Å; S302-Q305 WeakPolarHBondContact OG-CG 3.45Å; S302-Q305 PolarHBondContact OG-N 3.33Å; S302-Q305 PolarHBondContact OG-OE1 3.11Å; Q305-N308 PolarHBondContact O-N 2.88Å; Q305-H309 PolarHBondContact O-N 3.2Å; Q305-H309 VanDerWaalsContact O-N 3.12Å
306	Q	96.9	Very high	90.8	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-42.2	173.8	-69.4	-178.5	41.7	0	0	111.9	Y158 L162 M288 I292 L301 S302 A303 Q304 N308 H309	Y158-Q306 PolarHBondContact OH-OE1 3.47Å; L162-Q306 HydrophobicContact CD1-CB 4.22Å; L162-Q306 HydrophobicContact CD2-CB 3.77Å; M288-Q306 HydrophobicContact CE-CB 3.46Å; M288-Q306 VanDerWaalsContact CE-CB 3.46Å; M288-Q306 HydrophobicContact CE-CG 3.65Å; M288-Q306 HydrophobicContact SD-CB 4.48Å; M288-Q306 HydrophobicContact SD-CG 4.32Å; I292-Q306 HydrophobicContact CD1-CG 4.44Å; I292-Q306 HydrophobicContact CG1-CG 4.27Å; L301-Q306 HydrophobicContact CB-CG 3.62Å; L301-Q306 HydrophobicContact CD1-CG 4.19Å; L301-Q306 PolarHBondContact O-NE2 3.38Å; S302-Q306 WeakPolarHBondContact O-CG 3.38Å; S302-Q306 PolarHBondContact O-N 3.19Å; A303-Q306 WeakPolarHBondContact O-CB 3.47Å; A303-Q306 PolarHBondContact O-N 3.13Å; Q304-Q306 VanDerWaalsContact C-N 3.33Å; Q306-N308 PolarHBondContact O-N 2.97Å; Q306-H309 WeakPolarHBondContact O-CB 3.39Å; Q306-H309 PolarHBondContact O-N 3.1Å; Q306-H309 VanDerWaalsContact O-N 3.09Å
307	L	92.6	Very high	88.9	Confident	24 Å²	24	64.8 Å²	64.8	13%	0.126	31%	0.306	C	S	.	.	H	α-helix	trans	-58.4	-37.5	177.2	-167.7	66.8	0	0	0	112.2	L162 L163 A303 Q304 L312 L321	L162-L307 HydrophobicContact CD2-CB 4.29Å; L162-L307 HydrophobicContact CD2-CD1 4.33Å; L163-L307 HydrophobicContact CD2-CD1 4.49Å; A303-L307 PolarHBondContact O-N 3.49Å; Q304-L307 PolarHBondContact O-N 3.15Å; L307-L312 HydrophobicContact CD1-CD2 4.45Å; L307-L321 HydrophobicContact CD1-CD1 4.5Å
308	N	93.3	Very high	86.8	Confident	96 Å²	96	64.5 Å²	64.5	51%	0.513	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.5	-179.6	-70.6	-41.6	0	0	0	114	Q304 Q305 Q306 R313	Q304-N308 PolarHBondContact NE2-ND2 3.29Å; Q304-N308 PolarHBondContact O-N 3.09Å; Q304-N308 PolarHBondContact O-ND2 3.12Å; Q305-N308 PolarHBondContact O-N 2.88Å; Q306-N308 PolarHBondContact O-N 2.97Å; N308-R313 WeakPolarHBondContact O-CD 3.42Å
309	H	96.4	Very high	84.4	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.046	29%	0.293	C	S	.	.			trans	-67.4	140.5	-175.7	-167.4	-91.4	0	0	0	111.7	E284 D287 M288 Q305 Q306 W311 L312 R313	E284-H309 PolarHBondContact O-CE1 3.38Å; D287-H309 IonicContact OD2-CE1 2.91Å; D287-H309 IonicContact OD2-NE2 2.88Å; D287-H309 PolarHBondContact OD2-NE2 3.26Å; D287-H309 VanDerWaalsContact OD2-NE2 3.1Å; M288-H309 HydrophobicContact CE-CB 4.29Å; M288-H309 PolarHBondContact N-CE1 3.06Å; M288-H309 HydrophobicContact SD-CB 3.59Å; M288-H309 VanDerWaalsContact SD-CB 3.59Å; Q305-H309 PolarHBondContact O-N 3.2Å; Q305-H309 VanDerWaalsContact O-N 3.12Å; Q306-H309 WeakPolarHBondContact O-CB 3.39Å; Q306-H309 PolarHBondContact O-N 3.1Å; Q306-H309 VanDerWaalsContact O-N 3.09Å; H309-W311 WeakPolarHBondContact ND1-CB 3.24Å; H309-W311 PolarHBondContact ND1-N 3.21Å; H309-W311 PolarHBondContact O-N 3.48Å; H309-W311 VanDerWaalsContact O-N 3.15Å; H309-L312 PolarHBondContact O-N 3.33Å; H309-R313 WeakPolarHBondContact O-CG 3.41Å; H309-R313 PolarHBondContact O-N 3.1Å
310	P	94.9	Very high	82	Confident	77 Å²	77	56.9 Å²	56.9	50%	0.5	28%	0.283	S	S	.	.	H	α-helix	trans	-51.7	-40.1	-179.6	-29.9	35.9	0	0	0	114.3	E284 L312 R313	E284-P310 HydrophobicContact CG-CB 4.4Å; P310-L312 VanDerWaalsContact C-N 3.34Å; P310-L312 PolarHBondContact O-N 3.21Å; P310-R313 PolarHBondContact O-N 2.85Å
311	W	95.8	Very high	79.6	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-41.6	177.4	-174.8	77.5	0	0	0	112.8	E151 R155 Y158 L248 E284 C285 M288 H309	E151-W311 PolarHBondContact OE2-NE1 3.05Å; R155-W311 VanDerWaalsContact CA-CH2 3.41Å; R155-W311 HydrophobicContact CB-CH2 3.67Å; R155-W311 HydrophobicContact CB-CZ2 3.82Å; R155-W311 HydrophobicContact CB-CZ3 4.16Å; R155-W311 WeakPolarHBondContact CD-O 3.39Å; R155-W311 HydrophobicContact CG-CE3 4.3Å; R155-W311 HydrophobicContact CG-CH2 4.07Å; R155-W311 HydrophobicContact CG-CZ2 4.34Å; R155-W311 HydrophobicContact CG-CZ3 4.05Å; R155-W311 PolarHBondContact NE-O 3.18Å; Y158-W311 HydrophobicContact CD1-CZ3 4.13Å; Y158-W311 HydrophobicContact CG-CZ3 4.09Å; L248-W311 HydrophobicContact CD1-CH2 3.39Å; L248-W311 HydrophobicContact CD1-CZ2 3.92Å; L248-W311 HydrophobicContact CD1-CZ3 4.09Å; L248-W311 HydrophobicContact CD2-CE3 4.46Å; L248-W311 HydrophobicContact CD2-CH2 4.03Å; L248-W311 HydrophobicContact CD2-CZ3 3.95Å; L248-W311 HydrophobicContact CG-CH2 4.38Å; E284-W311 HydrophobicContact CB-CB 3.89Å; E284-W311 HydrophobicContact CB-CG 4.47Å; C285-W311 VanDerWaalsContact CA-CD1 3.49Å; C285-W311 HydrophobicContact CB-CG 4.37Å; M288-W311 HydrophobicContact CB-CB 4.39Å; M288-W311 HydrophobicContact CG-CE3 4.38Å; H309-W311 WeakPolarHBondContact ND1-CB 3.24Å; H309-W311 PolarHBondContact ND1-N 3.21Å; H309-W311 PolarHBondContact O-N 3.48Å; H309-W311 VanDerWaalsContact O-N 3.15Å
312	L	93.8	Very high	77	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-83.9	-31.2	-177	-166.4	59	0	0	0	112.3	R155 Y158 A159 L162 L307 H309 P310 R314 S315	R155-L312 HydrophobicContact CG-CD1 3.68Å; Y158-L312 HydrophobicContact CD1-CD1 4.3Å; Y158-L312 HydrophobicContact CD1-CD2 4.41Å; A159-L312 HydrophobicContact CB-CD1 3.82Å; L162-L312 HydrophobicContact CD2-CD2 3.56Å; L307-L312 HydrophobicContact CD1-CD2 4.45Å; H309-L312 PolarHBondContact O-N 3.33Å; P310-L312 VanDerWaalsContact C-N 3.34Å; P310-L312 PolarHBondContact O-N 3.21Å; L312-R314 PolarHBondContact O-N 3.44Å; L312-S315 WeakPolarHBondContact O-CB 3.41Å; L312-S315 PolarHBondContact O-N 3.17Å
313	R	86.4	Confident	74.4	Confident	178 Å²	178	68.9 Å²	68.9	67%	0.672	33%	0.332	S	S	*	.	H	α-helix	trans	-60.3	-22.7	175.8	-77.2	-177.6	62.3	179.8	-0.6	113.8	N308 H309 P310 S315	N308-R313 WeakPolarHBondContact O-CD 3.42Å; H309-R313 WeakPolarHBondContact O-CG 3.41Å; H309-R313 PolarHBondContact O-N 3.1Å; P310-R313 PolarHBondContact O-N 2.85Å; R313-S315 PolarHBondContact O-N 3.27Å
314	R	76.1	Confident	72.1	Confident	148 Å²	148	71.3 Å²	71.3	56%	0.558	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.2	171.7	-75.7	-169	177.5	136.3	8.2	113.8	E284 L312 K316	E284-R314 VanDerWaalsContact CD-NH1 3.32Å; E284-R314 IonicContact OE1-CZ 2.72Å; E284-R314 VanDerWaalsContact OE1-CZ 3.26Å; E284-R314 IonicContact OE1-NH1 2.99Å; E284-R314 PolarHBondContact OE1-NH1 3.32Å; E284-R314 IonicContact OE1-NH2 2.69Å; E284-R314 PolarHBondContact OE1-NH2 2.9Å; E284-R314 IonicContact OE2-NH1 2.64Å; L312-R314 PolarHBondContact O-N 3.44Å; R314-K316 PolarHBondContact O-N 3.46Å
315	S	64.5	Low	69.8	Low	5 Å²	5	73.9 Å²	73.9	4%	0.035	35%	0.349	C	S	.	.			trans	-65.1	126.3	-178.8	-173.2	0	0	0	0	111.5	L312 R313 V317 S318	L312-S315 WeakPolarHBondContact O-CB 3.41Å; L312-S315 PolarHBondContact O-N 3.17Å; R313-S315 PolarHBondContact O-N 3.27Å; S315-V317 PolarHBondContact O-N 3.46Å; S315-V317 VanDerWaalsContact OG-CB 3.26Å; S315-V317 WeakPolarHBondContact OG-CB 3.43Å; S315-V317 PolarHBondContact OG-N 3Å; S315-V317 VanDerWaalsContact OG-N 3.08Å; S315-S318 WeakPolarHBondContact O-CB 3.45Å; S315-S318 PolarHBondContact O-N 3.09Å
316	K	60.1	Low	67.5	Low	170 Å²	170	71.6 Å²	71.6	74%	0.739	34%	0.337	S	S	*	.	H	α-helix	trans	-59.5	-25	164.5	-67.4	-175.4	-179.4	-179.5	0	112.1	R314 S318 S319	R314-K316 PolarHBondContact O-N 3.46Å; K316-S318 PolarHBondContact O-N 3.28Å; K316-S319 PolarHBondContact O-N 3.32Å; K316-S319 PolarHBondContact O-OG 3.45Å
317	V	55.3	Low	64.9	Low	28 Å²	28	75.1 Å²	75.1	17%	0.17	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-36.7	173.5	-171.2	0	0	0	0	109.3	S315 S319 N320 L321	S315-V317 PolarHBondContact O-N 3.46Å; S315-V317 VanDerWaalsContact OG-CB 3.26Å; S315-V317 WeakPolarHBondContact OG-CB 3.43Å; S315-V317 PolarHBondContact OG-N 3Å; S315-V317 VanDerWaalsContact OG-N 3.08Å; V317-S319 VanDerWaalsContact C-N 3.28Å; V317-S319 PolarHBondContact O-N 3.01Å; V317-N320 CarbonylContact O-C 3.6Å; V317-N320 WeakPolarHBondContact O-CA 3.41Å; V317-N320 WeakPolarHBondContact O-CB 3.45Å; V317-N320 PolarHBondContact O-N 3.48Å; V317-L321 HydrophobicContact CG1-CD1 4.45Å; V317-L321 HydrophobicContact CG1-CD2 3.61Å; V317-L321 HydrophobicContact CG1-CG 3.92Å; V317-L321 VanDerWaalsContact O-CG 3.27Å; V317-L321 WeakPolarHBondContact O-CG 3.28Å; V317-L321 PolarHBondContact O-N 2.88Å
318	S	50.1	Low	62.5	Low	27 Å²	27	81.3 Å²	81.3	19%	0.189	38%	0.383	C	S	.	.	H	α-helix	trans	-58.5	-32.9	-177.7	-161.2	0	0	0	0	114	S315 K316 N320 L321 K322	S315-S318 WeakPolarHBondContact O-CB 3.45Å; S315-S318 PolarHBondContact O-N 3.09Å; K316-S318 PolarHBondContact O-N 3.28Å; S318-N320 VanDerWaalsContact C-N 3.34Å; S318-L321 PolarHBondContact O-N 3.17Å; S318-K322 PolarHBondContact O-N 3.34Å
319	S	46.2	Very low	59.8	Low	75 Å²	75	79.7 Å²	79.7	52%	0.524	38%	0.383	S	S	.	.	H	α-helix	trans	-63.9	-41.8	171.7	51.9	0	0	0	0	111.2	K316 V317	K316-S319 PolarHBondContact O-N 3.32Å; K316-S319 PolarHBondContact O-OG 3.45Å; V317-S319 VanDerWaalsContact C-N 3.28Å; V317-S319 PolarHBondContact O-N 3.01Å
320	N	44.9	Very low	57.1	Low	75 Å²	75	82.8 Å²	82.8	40%	0.401	40%	0.4	S	S	.	.	H	α-helix	trans	-76.7	-20.9	175.3	-61.9	-1.1	0	0	0	112.5	V317 S318 K322 E323 R324	V317-N320 CarbonylContact O-C 3.6Å; V317-N320 WeakPolarHBondContact O-CA 3.41Å; V317-N320 WeakPolarHBondContact O-CB 3.45Å; V317-N320 PolarHBondContact O-N 3.48Å; S318-N320 VanDerWaalsContact C-N 3.34Å; N320-K322 VanDerWaalsContact C-N 3.31Å; N320-K322 PolarHBondContact O-N 2.8Å; N320-E323 PolarHBondContact O-N 3.08Å; N320-R324 WeakPolarHBondContact O-CD 3.31Å; N320-R324 VanDerWaalsContact O-CG 3.28Å; N320-R324 WeakPolarHBondContact O-CG 3.2Å
321	L	48.8	Very low	54.2	Low	7 Å²	7	84.5 Å²	84.5	4%	0.037	41%	0.414	C	S	.	.	H	α-helix	trans	-68.5	-30	177.1	-65.5	-174.8	0	0	0	112.6	A159 L163 L307 V317 S318 E323 R324	A159-L321 HydrophobicContact CB-CD1 4.32Å; L163-L321 HydrophobicContact CD1-CD1 3.76Å; L163-L321 HydrophobicContact CD1-CD2 3.15Å; L163-L321 HydrophobicContact CD1-CG 3.96Å; L163-L321 HydrophobicContact CD2-CD1 4.47Å; L163-L321 HydrophobicContact CG-CD1 4.39Å; L163-L321 HydrophobicContact CG-CD2 4.45Å; L307-L321 HydrophobicContact CD1-CD1 4.5Å; V317-L321 HydrophobicContact CG1-CD1 4.45Å; V317-L321 HydrophobicContact CG1-CD2 3.61Å; V317-L321 HydrophobicContact CG1-CG 3.92Å; V317-L321 VanDerWaalsContact O-CG 3.27Å; V317-L321 WeakPolarHBondContact O-CG 3.28Å; V317-L321 PolarHBondContact O-N 2.88Å; S318-L321 PolarHBondContact O-N 3.17Å; L321-E323 VanDerWaalsContact C-N 3.27Å; L321-E323 PolarHBondContact O-N 3.25Å; L321-R324 PolarHBondContact O-N 3.42Å
322	K	42.9	Very low	51.1	Low	177 Å²	177	89.5 Å²	89.5	77%	0.77	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.9	176.9	-71.7	-174	177.6	-176.1	0	112.6	S318 N320 R324	S318-K322 PolarHBondContact O-N 3.34Å; N320-K322 VanDerWaalsContact C-N 3.31Å; N320-K322 PolarHBondContact O-N 2.8Å; K322-R324 VanDerWaalsContact C-N 3.3Å
323	E	41.2	Very low	48	Very low	128 Å²	128	97.8 Å²	97.8	60%	0.598	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.6	-179.5	-74.1	177.8	168.6	0	0	113.5	N320 L321 H325	N320-E323 PolarHBondContact O-N 3.08Å; L321-E323 VanDerWaalsContact C-N 3.27Å; L321-E323 PolarHBondContact O-N 3.25Å; E323-H325 PolarHBondContact O-CD2 3.17Å; E323-H325 PolarHBondContact O-N 2.99Å
324	R	46.5	Very low	45.1	Very low	65 Å²	65	97.1 Å²	97.1	25%	0.245	50%	0.496	C	S	.	.			trans	-83.1	94.1	-174.8	-80.9	171.4	155	-148.1	6.1	109.3	N320 L321 K322 W326 L327	N320-R324 WeakPolarHBondContact O-CD 3.31Å; N320-R324 VanDerWaalsContact O-CG 3.28Å; N320-R324 WeakPolarHBondContact O-CG 3.2Å; L321-R324 PolarHBondContact O-N 3.42Å; K322-R324 VanDerWaalsContact C-N 3.3Å; R324-W326 HydrophobicContact CB-CD2 3.64Å; R324-W326 HydrophobicContact CB-CE3 3.79Å; R324-W326 HydrophobicContact CB-CG 4.49Å; R324-W326 HydrophobicContact CB-CH2 3.5Å; R324-W326 HydrophobicContact CB-CZ2 3.35Å; R324-W326 HydrophobicContact CB-CZ3 3.69Å; R324-W326 HydrophobicContact CG-CD2 4.41Å; R324-W326 HydrophobicContact CG-CE3 4.27Å; R324-W326 HydrophobicContact CG-CH2 3.13Å; R324-W326 HydrophobicContact CG-CZ2 3.32Å; R324-W326 HydrophobicContact CG-CZ3 3.64Å; R324-W326 VanDerWaalsContact NE-CH2 3.31Å; R324-W326 PolarHBondContact O-N 2.95Å; R324-L327 PolarHBondContact O-N 3.38Å
325	H	42.2	Very low	42.7	Very low	155 Å²	155	97.1 Å²	97.1	72%	0.718	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-44.3	-16.1	-175.2	-70.1	-171.3	0	0	0	116.6	E323 L327 Q328 A329	E323-H325 PolarHBondContact O-CD2 3.17Å; E323-H325 PolarHBondContact O-N 2.99Å; H325-L327 VanDerWaalsContact C-N 3.26Å; H325-L327 PolarHBondContact O-N 3.27Å; H325-Q328 PolarHBondContact O-N 3.01Å; H325-Q328 VanDerWaalsContact O-N 3.13Å; H325-A329 PolarHBondContact O-N 3.44Å
326	W	47.9	Very low	40.9	Very low	57 Å²	57	105.6 Å²	105.6	22%	0.216	55%	0.547	C	S	.	.	G	3₁₀ helix	trans	-67.2	-18.3	179	47.8	87.2	0	0	0	115	H111 P112 R324 Q328 F357	H111-W326 AromaticContact NE2-CD1 3.68Å; H111-W326 AromaticContact NE2-NE1 3.65Å; P112-W326 HydrophobicContact CB-CH2 4.44Å; P112-W326 HydrophobicContact CG-CD2 4.37Å; P112-W326 HydrophobicContact CG-CE3 4.32Å; P112-W326 HydrophobicContact CG-CH2 3.5Å; P112-W326 VanDerWaalsContact CG-CH2 3.5Å; P112-W326 HydrophobicContact CG-CZ2 3.51Å; P112-W326 HydrophobicContact CG-CZ3 3.95Å; R324-W326 HydrophobicContact CB-CD2 3.64Å; R324-W326 HydrophobicContact CB-CE3 3.79Å; R324-W326 HydrophobicContact CB-CG 4.49Å; R324-W326 HydrophobicContact CB-CH2 3.5Å; R324-W326 HydrophobicContact CB-CZ2 3.35Å; R324-W326 HydrophobicContact CB-CZ3 3.69Å; R324-W326 HydrophobicContact CG-CD2 4.41Å; R324-W326 HydrophobicContact CG-CE3 4.27Å; R324-W326 HydrophobicContact CG-CH2 3.13Å; R324-W326 HydrophobicContact CG-CZ2 3.32Å; R324-W326 HydrophobicContact CG-CZ3 3.64Å; R324-W326 VanDerWaalsContact NE-CH2 3.31Å; R324-W326 PolarHBondContact O-N 2.95Å; W326-Q328 VanDerWaalsContact C-N 3.34Å; W326-F357 HydrophobicContact CZ3-CZ 4.46Å
327	L	43.6	Very low	39.6	Very low	74 Å²	74	105.2 Å²	105.2	39%	0.387	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-72.7	-26.5	171.2	-72.4	170.6	0	0	0	112.7	L163 R324 H325	L163-L327 HydrophobicContact CD2-CD2 4.26Å; R324-L327 PolarHBondContact O-N 3.38Å; H325-L327 VanDerWaalsContact C-N 3.26Å; H325-L327 PolarHBondContact O-N 3.27Å
328	Q	40.5	Very low	38.8	Very low	153 Å²	153	108.6 Å²	108.6	72%	0.715	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-21.1	-174.9	-71.2	-177.5	-3.3	0	0	114	H325 W326 N330 S331	H325-Q328 PolarHBondContact O-N 3.01Å; H325-Q328 VanDerWaalsContact O-N 3.13Å; W326-Q328 VanDerWaalsContact C-N 3.34Å; Q328-N330 PolarHBondContact O-N 3.2Å; Q328-S331 PolarHBondContact O-N 3.02Å
329	A	38.2	Very low	37.9	Very low	63 Å²	63	115.5 Å²	115.5	52%	0.521	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.7	-5.8	-173.8	0	0	0	0	0	115.5	H325	H325-A329 PolarHBondContact O-N 3.44Å
330	N	40.1	Very low	37.1	Very low	74 Å²	74	116.8 Å²	116.8	40%	0.396	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.7	1.3	-175.9	-75.8	3.2	0	0	0	115.7	Q328	Q328-N330 PolarHBondContact O-N 3.2Å
331	S	33.2	Very low	36.5	Very low	113 Å²	113	116.7 Å²	116.7	79%	0.79	63%	0.633	S	S	*	*	S	Bend	trans	-84.8	-14.9	-177.7	-174.5	0	0	0	0	115	Q328	Q328-S331 PolarHBondContact O-N 3.02Å
332	S	29.8	Very low	35.5	Very low	105 Å²	105	119.9 Å²	119.9	73%	0.734	67%	0.668	S	S	*	*	S	Bend	trans	-133.2	12.9	-165.9	49.1	0	0	0	0	116.9
333	Q	28.5	Very low	35	Very low	176 Å²	176	116.8 Å²	116.8	82%	0.822	66%	0.66	S	S	*	*			trans	-128	36.1	178.1	-72.8	-172	-5.5	0	0	114.3
334	L	27.1	Very low	34.7	Very low	164 Å²	164	116.6 Å²	116.6	86%	0.859	67%	0.667	S	S	*	*			trans	-97.7	27.1	170.3	-77.5	171.5	0	0	0	113.4
335	N	25.7	Very low	34.4	Very low	149 Å²	149	118 Å²	118	80%	0.797	67%	0.673	S	S	*	*			trans	-117.7	129.1	169.3	-78.4	-8.8	0	0	0	109.8
336	E	26.9	Very low	34.5	Very low	183 Å²	183	113.8 Å²	113.8	86%	0.855	66%	0.658	S	S	*	*	S	Bend	trans	96.3	94	161.9	-56.7	-174.9	-175.7	0	0	118.8
337	D	31.5	Very low	34.8	Very low	161 Å²	161	111.7 Å²	111.7	86%	0.861	65%	0.653	S	S	*	*			trans	62.6	145.8	134.4	-72.3	-19.8	0	0	0	124.6
338	P	39.5	Very low	35	Very low	100 Å²	100	111 Å²	111	65%	0.649	66%	0.658	S	S	*	*			trans	-106.4	153.8	-154.9	9.9	14.3	0	0	0	114.2
339	I	31.6	Very low	35.6	Very low	172 Å²	172	108.2 Å²	108.2	88%	0.882	65%	0.645	S	S	*	*			trans	64.1	78.4	153.7	-49.6	155.6	0	0	0	115.1
340	A	29.2	Very low	36.3	Very low	101 Å²	101	105.4 Å²	105.4	84%	0.835	62%	0.622	S	S	*	*			trans	-161.9	63	158.2	0	0	0	0	0	112.8
341	A	30.7	Very low	37.1	Very low	73 Å²	73	102 Å²	102	60%	0.603	60%	0.603	S	S	*	*			trans	174.4	114.2	150	0	0	0	0	0	106.4	N343	A341-N343 PolarHBondContact O-N 3.41Å
342	G	28.7	Very low	38.2	Very low	75 Å²	75	105.7 Å²	105.7	77%	0.773	60%	0.6	S	S	*	*			trans	-58.4	101.1	158	0	0	0	0	0	106.3	V344	G342-V344 PolarHBondContact O-N 2.9Å
343	N	33	Very low	39.3	Very low	111 Å²	111	107 Å²	107	59%	0.594	59%	0.589	S	S	*	*			trans	-66.7	83.4	172	-77.8	-26.3	0	0	0	106.4	A341 Y345	A341-N343 PolarHBondContact O-N 3.41Å; N343-Y345 HydrophobicContact CB-CD2 4.05Å; N343-Y345 HydrophobicContact CB-CE2 3.67Å; N343-Y345 WeakPolarHBondContact O-CD2 3.46Å; N343-Y345 PolarHBondContact O-N 3.01Å
344	V	34.6	Very low	40.6	Very low	124 Å²	124	99.7 Å²	99.7	75%	0.752	56%	0.555	S	S	*	*			trans	-69	82.2	165	-177.2	0	0	0	0	105.1	G342 T346	G342-V344 PolarHBondContact O-N 2.9Å; V344-T346 PolarHBondContact O-N 3.21Å
345	Y	40.2	Very low	41.7	Very low	95 Å²	95	94.4 Å²	94.4	37%	0.373	53%	0.527	S	S	.	.			trans	-58.1	111.8	166.2	-70.6	-76	0	0	0	106	N343	N343-Y345 HydrophobicContact CB-CD2 4.05Å; N343-Y345 HydrophobicContact CB-CE2 3.67Å; N343-Y345 WeakPolarHBondContact O-CD2 3.46Å; N343-Y345 PolarHBondContact O-N 3.01Å
346	T	45.1	Very low	42.9	Very low	66 Å²	66	90 Å²	90	41%	0.405	51%	0.508	S	S	.	.			trans	-65	142.5	176.3	59.7	0	0	0	0	108	V344 A348 E349 G350	V344-T346 PolarHBondContact O-N 3.21Å; T346-A348 PolarHBondContact O-N 3.2Å; T346-E349 PolarHBondContact N-OE2 2.85Å; T346-E349 PolarHBondContact O-N 3.41Å; T346-E349 WeakPolarHBondContact OG1-CG 3.4Å; T346-E349 PolarHBondContact OG1-N 2.97Å; T346-E349 PolarHBondContact OG1-OE2 2.95Å; T346-G350 PolarHBondContact O-N 3.3Å
347	A	52.7	Low	43.9	Very low	14 Å²	14	85.3 Å²	85.3	12%	0.116	49%	0.485	C	S	.	.	H	α-helix	trans	-50.1	-35.5	174.4	0	0	0	0	0	111.8	Y54 E119 G350 I351	Y54-A347 WeakPolarHBondContact OH-CB 3.35Å; E119-A347 HydrophobicContact CB-CB 4.31Å; E119-A347 WeakPolarHBondContact OE2-CB 3.08Å; A347-G350 PolarHBondContact O-N 3.2Å; A347-I351 WeakPolarHBondContact O-CB 3.2Å; A347-I351 WeakPolarHBondContact O-CD1 3.36Å; A347-I351 WeakPolarHBondContact O-CG1 3.48Å; A347-I351 PolarHBondContact O-N 3.34Å
348	A	47.9	Very low	44.5	Very low	58 Å²	58	83.2 Å²	83.2	48%	0.479	47%	0.465	S	S	.	.	H	α-helix	trans	-60	-43.6	174.2	0	0	0	0	0	113	T346 R352	T346-A348 PolarHBondContact O-N 3.2Å; A348-R352 WeakPolarHBondContact O-CB 3.35Å; A348-R352 PolarHBondContact O-N 3.48Å
349	E	52.8	Low	44.5	Very low	96 Å²	96	84.5 Å²	84.5	45%	0.449	46%	0.464	S	S	.	.	H	α-helix	trans	-68.7	-40	175.1	-78.5	170.3	140.7	0	0	112.7	T346 R352 R353	T346-E349 PolarHBondContact N-OE2 2.85Å; T346-E349 PolarHBondContact O-N 3.41Å; T346-E349 WeakPolarHBondContact OG1-CG 3.4Å; T346-E349 PolarHBondContact OG1-N 2.97Å; T346-E349 PolarHBondContact OG1-OE2 2.95Å; E349-R352 PolarHBondContact O-N 2.93Å; E349-R353 WeakPolarHBondContact O-CB 3.02Å; E349-R353 WeakPolarHBondContact O-CG 3.47Å; E349-R353 PolarHBondContact O-N 3.4Å
350	G	53.7	Low	45	Very low	3 Å²	3	83 Å²	83	3%	0.031	45%	0.451	C	S	.	.	H	α-helix	trans	-57.7	-50.7	174.2	0	0	0	0	0	111.6	T346 A347 R353 Q354	T346-G350 PolarHBondContact O-N 3.3Å; A347-G350 PolarHBondContact O-N 3.2Å; G350-R353 PolarHBondContact O-N 3.26Å; G350-Q354 PolarHBondContact O-N 2.86Å
351	I	55.9	Low	45.6	Very low	2 Å²	2	81 Å²	81	1%	0.01	42%	0.424	C	S	.	.	H	α-helix	trans	-64.9	-43.5	176.5	-67.6	167.1	0	0	0	110.9	H73 T76 E78 F118 A347 R353 Q354 L355	H73-I351 HydrophobicContact CB-CD1 4.24Å; T76-I351 HydrophobicContact CG2-CG2 4.38Å; E78-I351 HydrophobicContact CB-CG2 4.28Å; E78-I351 HydrophobicContact CG-CG2 3.76Å; F118-I351 HydrophobicContact CD2-CG1 4.5Å; F118-I351 HydrophobicContact CG-CG1 4.46Å; A347-I351 WeakPolarHBondContact O-CB 3.2Å; A347-I351 WeakPolarHBondContact O-CD1 3.36Å; A347-I351 WeakPolarHBondContact O-CG1 3.48Å; A347-I351 PolarHBondContact O-N 3.34Å; I351-R353 VanDerWaalsContact C-N 3.35Å; I351-R353 PolarHBondContact O-N 2.69Å; I351-Q354 WeakPolarHBondContact O-CB 3.23Å; I351-Q354 PolarHBondContact O-N 3.28Å; I351-Q354 VanDerWaalsContact O-N 3.15Å; I351-L355 HydrophobicContact CG2-CD1 4.25Å; I351-L355 PolarHBondContact O-N 3.43Å
352	R	56.3	Low	46.1	Very low	192 Å²	192	80.8 Å²	80.8	73%	0.725	41%	0.413	S	S	*	.	H	α-helix	trans	-62.8	-39.7	179.4	-173.7	-179.9	-175.9	-170.8	2.4	111.8	A348 E349 L355 S356	A348-R352 WeakPolarHBondContact O-CB 3.35Å; A348-R352 PolarHBondContact O-N 3.48Å; E349-R352 PolarHBondContact O-N 2.93Å; R352-L355 PolarHBondContact O-N 3Å; R352-S356 PolarHBondContact O-N 2.68Å
353	R	54.5	Low	46.6	Very low	131 Å²	131	84 Å²	84	49%	0.494	41%	0.408	S	S	.	.	H	α-helix	trans	-63.9	-41.9	174.1	-78.5	-173.8	-178.8	175.6	3.5	111	E349 G350 I351 L355 S356 F357	E349-R353 WeakPolarHBondContact O-CB 3.02Å; E349-R353 WeakPolarHBondContact O-CG 3.47Å; E349-R353 PolarHBondContact O-N 3.4Å; G350-R353 PolarHBondContact O-N 3.26Å; I351-R353 VanDerWaalsContact C-N 3.35Å; I351-R353 PolarHBondContact O-N 2.69Å; R353-L355 VanDerWaalsContact C-N 3.34Å; R353-L355 PolarHBondContact O-N 3.38Å; R353-S356 PolarHBondContact O-N 3.37Å; R353-S356 PolarHBondContact O-OG 3.37Å; R353-F357 PolarHBondContact O-N 2.92Å
354	Q	54.8	Low	47	Very low	23 Å²	23	85 Å²	85	11%	0.107	41%	0.408	C	S	.	.	H	α-helix	trans	-59.8	-43.6	174	-164.9	-169.9	12.3	0	0	111.8	F118 E132 G350 I351 F357 R358	F118-Q354 HydrophobicContact CE1-CB 4.27Å; F118-Q354 HydrophobicContact CZ-CB 4.35Å; F118-Q354 HydrophobicContact CZ-CG 4.43Å; E132-Q354 VanDerWaalsContact CG-NE2 3.34Å; E132-Q354 PolarHBondContact OE1-NE2 3.4Å; G350-Q354 PolarHBondContact O-N 2.86Å; I351-Q354 WeakPolarHBondContact O-CB 3.23Å; I351-Q354 PolarHBondContact O-N 3.28Å; I351-Q354 VanDerWaalsContact O-N 3.15Å; Q354-F357 WeakPolarHBondContact O-CA 3.4Å; Q354-F357 WeakPolarHBondContact O-CB 3.35Å; Q354-F357 PolarHBondContact O-N 3.48Å; Q354-F357 VanDerWaalsContact O-N 3.15Å; Q354-R358 PolarHBondContact O-N 3.4Å
355	L	50.6	Low	47.3	Very low	54 Å²	54	86.2 Å²	86.2	28%	0.283	41%	0.411	S	S	.	.	H	α-helix	trans	-63.5	-44	176.2	-74.7	173.9	0	0	0	112.6	E78 I351 R352 R353 F357 R358 M359	E78-L355 WeakPolarHBondContact OE1-CD2 3.31Å; I351-L355 HydrophobicContact CG2-CD1 4.25Å; I351-L355 PolarHBondContact O-N 3.43Å; R352-L355 PolarHBondContact O-N 3Å; R353-L355 VanDerWaalsContact C-N 3.34Å; R353-L355 PolarHBondContact O-N 3.38Å; L355-F357 PolarHBondContact O-N 2.88Å; L355-R358 PolarHBondContact O-N 3.31Å; L355-M359 WeakPolarHBondContact O-CG 3.32Å; L355-M359 PolarHBondContact O-N 3.05Å
356	S	50.5	Low	46.8	Very low	55 Å²	55	87.5 Å²	87.5	39%	0.385	42%	0.418	S	S	.	.	H	α-helix	trans	-59.7	-32.3	174.5	75.7	0	0	0	0	111.7	R352 R353 K360	R352-S356 PolarHBondContact O-N 2.68Å; R353-S356 PolarHBondContact O-N 3.37Å; R353-S356 PolarHBondContact O-OG 3.37Å; S356-K360 WeakPolarHBondContact O-CG 3.29Å; S356-K360 PolarHBondContact O-N 2.88Å; S356-K360 VanDerWaalsContact O-N 3.09Å
357	F	47.6	Very low	46.1	Very low	86 Å²	86	90.1 Å²	90.1	38%	0.377	44%	0.435	S	S	.	.	H	α-helix	trans	-72.2	-46.8	174.6	-129.1	-86	0	0	0	112.1	P112 W326 R353 Q354 L355 M359 K360 E361	P112-F357 HydrophobicContact CB-CE1 3.84Å; P112-F357 HydrophobicContact CB-CZ 4.1Å; P112-F357 HydrophobicContact CG-CZ 4.41Å; W326-F357 HydrophobicContact CZ3-CZ 4.46Å; R353-F357 PolarHBondContact O-N 2.92Å; Q354-F357 WeakPolarHBondContact O-CA 3.4Å; Q354-F357 WeakPolarHBondContact O-CB 3.35Å; Q354-F357 PolarHBondContact O-N 3.48Å; Q354-F357 VanDerWaalsContact O-N 3.15Å; L355-F357 PolarHBondContact O-N 2.88Å; F357-M359 PolarHBondContact O-N 2.8Å; F357-K360 PolarHBondContact O-N 3.38Å; F357-K360 VanDerWaalsContact O-N 3.15Å; F357-E361 PolarHBondContact O-N 2.81Å
358	R	45.5	Very low	44.9	Very low	116 Å²	116	97.4 Å²	97.4	44%	0.438	47%	0.466	S	S	.	.	H	α-helix	trans	-55.4	-37.4	172.4	-98.9	-178.9	174.6	164	-0.4	111.9	E78 Q354 L355 N362	E78-R358 IonicContact OE2-NH1 3.89Å; E78-R358 PolarHBondContact OE2-NH1 3.16Å; E78-R358 VanDerWaalsContact OE2-NH1 3.15Å; Q354-R358 PolarHBondContact O-N 3.4Å; L355-R358 PolarHBondContact O-N 3.31Å; R358-N362 VanDerWaalsContact O-CG 3.27Å; R358-N362 PolarHBondContact O-N 3.05Å; R358-N362 VanDerWaalsContact O-N 3.12Å; R358-N362 PolarHBondContact O-ND2 3.21Å
359	M	37.9	Very low	44	Very low	127 Å²	127	101.3 Å²	101.3	63%	0.626	48%	0.478	S	S	*	.	H	α-helix	trans	-70.2	-42.4	176.3	-71.1	-171.5	-173	0	0	112.8	L355 F357 E361 N362 Q363	L355-M359 WeakPolarHBondContact O-CG 3.32Å; L355-M359 PolarHBondContact O-N 3.05Å; F357-M359 PolarHBondContact O-N 2.8Å; M359-E361 VanDerWaalsContact C-N 3.34Å; M359-E361 PolarHBondContact O-N 3.41Å; M359-N362 WeakPolarHBondContact O-CB 3.25Å; M359-N362 PolarHBondContact O-N 3.21Å; M359-Q363 PolarHBondContact O-N 2.87Å; M359-Q363 VanDerWaalsContact O-N 3.08Å
360	K	42.5	Very low	42.8	Very low	141 Å²	141	103.2 Å²	103.2	61%	0.613	49%	0.491	S	S	*	.	H	α-helix	trans	-64.1	-38	175.6	-76.2	-177.5	179.5	-174.8	0	112.3	S356 F357 N362 Q363 H364	S356-K360 WeakPolarHBondContact O-CG 3.29Å; S356-K360 PolarHBondContact O-N 2.88Å; S356-K360 VanDerWaalsContact O-N 3.09Å; F357-K360 PolarHBondContact O-N 3.38Å; F357-K360 VanDerWaalsContact O-N 3.15Å; K360-N362 VanDerWaalsContact C-N 3.33Å; K360-Q363 PolarHBondContact O-N 3.04Å; K360-H364 PolarHBondContact O-N 3.12Å
361	E	42.5	Very low	41.4	Very low	60 Å²	60	109 Å²	109	28%	0.28	53%	0.526	S	S	.	.	H	α-helix	trans	-65.3	-36.3	173.4	-73.1	-176	167	0	0	112	F357 M359 Q363 H364	F357-E361 PolarHBondContact O-N 2.81Å; M359-E361 VanDerWaalsContact C-N 3.34Å; M359-E361 PolarHBondContact O-N 3.41Å; E361-Q363 VanDerWaalsContact C-N 3.32Å; E361-Q363 PolarHBondContact O-N 3.27Å; E361-H364 PolarHBondContact O-N 3Å
362	N	41.8	Very low	39.9	Very low	67 Å²	67	115.5 Å²	115.5	36%	0.358	56%	0.559	S	S	.	*	H	α-helix	trans	-68.1	-27.9	174.1	-73.8	-19	0	0	0	113.3	R188 R358 M359 K360 K366	R188-N362 PolarHBondContact NH1-OD1 3.08Å; R188-N362 PolarHBondContact NH2-OD1 3.4Å; R358-N362 VanDerWaalsContact O-CG 3.27Å; R358-N362 PolarHBondContact O-N 3.05Å; R358-N362 VanDerWaalsContact O-N 3.12Å; R358-N362 PolarHBondContact O-ND2 3.21Å; M359-N362 WeakPolarHBondContact O-CB 3.25Å; M359-N362 PolarHBondContact O-N 3.21Å; K360-N362 VanDerWaalsContact C-N 3.33Å; N362-K366 WeakPolarHBondContact O-CG 3.42Å
363	Q	38.3	Very low	38.3	Very low	144 Å²	144	114.9 Å²	114.9	67%	0.673	57%	0.57	S	S	*	*	H	α-helix	trans	-75.6	-31.9	178.4	-78.2	-177.7	-17.7	0	0	112.6	M359 K360 E361 D365 K366	M359-Q363 PolarHBondContact O-N 2.87Å; M359-Q363 VanDerWaalsContact O-N 3.08Å; K360-Q363 PolarHBondContact O-N 3.04Å; E361-Q363 VanDerWaalsContact C-N 3.32Å; E361-Q363 PolarHBondContact O-N 3.27Å; Q363-D365 PolarHBondContact O-N 2.73Å; Q363-K366 PolarHBondContact O-N 2.99Å
364	H	41.7	Very low	36.8	Very low	130 Å²	130	115.3 Å²	115.3	60%	0.602	58%	0.582	S	S	*	*	H	α-helix	trans	-70.7	-18.2	-180	-131	60.4	0	0	0	113.5	K360 E361	K360-H364 PolarHBondContact O-N 3.12Å; E361-H364 PolarHBondContact O-N 3Å
365	D	40.6	Very low	35.4	Very low	151 Å²	151	119.3 Å²	119.3	81%	0.807	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-2.7	176.1	-119.3	-3	0	0	0	113.4	Q363	Q363-D365 PolarHBondContact O-N 2.73Å
366	K	29.3	Very low	34.1	Very low	122 Å²	122	124.6 Å²	124.6	53%	0.53	64%	0.635	S	S	.	*			trans	-112.7	21.6	-175.2	-74.3	-168.3	174.6	-163.8	0	114.6	N362 Q363 H368 L370	N362-K366 WeakPolarHBondContact O-CG 3.42Å; Q363-K366 PolarHBondContact O-N 2.99Å; K366-H368 CarbonylContact O-C 3.58Å; K366-H368 PolarHBondContact O-N 2.98Å; K366-L370 HydrophobicContact CD-CD1 4.18Å
367	T	30.2	Very low	33.1	Very low	121 Å²	121	130.3 Å²	130.3	74%	0.742	66%	0.655	S	S	*	*	S	Bend	trans	-68	2.7	168.2	48.6	0	0	0	0	113.6
368	H	28.9	Very low	31.9	Very low	166 Å²	166	132.3 Å²	132.3	77%	0.769	68%	0.675	S	S	*	*	S	Bend	trans	-112.3	115.1	156.4	-75.7	-62.1	0	0	0	109.2	K366	K366-H368 CarbonylContact O-C 3.58Å; K366-H368 PolarHBondContact O-N 2.98Å
369	D	29	Very low	31	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	69%	0.691	S	S	*	*			trans	67.9	105.8	177.1	-59.9	-28.8	0	0	0	115.9
370	L	26.9	Very low	30.5	Very low	137 Å²	137	137.6 Å²	137.6	72%	0.717	70%	0.7	S	S	*	*				-173.3	102.4	123.4	-92.2	156.8	0	0	0	109.7	K366 I372	K366-L370 HydrophobicContact CD-CD1 4.18Å; L370-I372 PolarHBondContact O-N 3.09Å
371	T	24.3	Very low	29.8	Very low	125 Å²	125	136.3 Å²	136.3	77%	0.767	71%	0.709	S	S	*	*			trans	-58.3	122	159.5	32.4	0	0	0	0	110.6
372	I	24.1	Very low	29.2	Very low	137 Å²	137	139.3 Å²	139.3	70%	0.703	74%	0.737	S	S	*	*			trans	35.6	104.3	142.2	-48.7	174.9	0	0	0	116	L370 D374	L370-I372 PolarHBondContact O-N 3.09Å; I372-D374 HydrophobicContact CG2-CB 4.38Å
373	L	23.2	Very low	28.4	Very low	180 Å²	180	139.3 Å²	139.3	94%	0.942	75%	0.752	S	S	*	*			trans	-126.3	78.5	146	-79.2	170.2	0	0	0	107.6
374	D	23.7	Very low	27.9	Very low	140 Å²	140	138.8 Å²	138.8	75%	0.749	77%	0.765	S	S	*	*			trans	-77.5	127.3	156.4	-86	-32	0	0	0	108.1	I372	I372-D374 HydrophobicContact CG2-CB 4.38Å
375	S	24.5	Very low	27.2	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	77%	0.773	S	S	*	*				171.4	133.8	124.1	37.7	0	0	0	0	112.3
376	E	24.1	Very low	26.4	Very low	165 Å²	165	135.4 Å²	135.4	77%	0.771	78%	0.778	S	S	*	*			trans	69.7	102.1	148.3	-65.6	177.4	-171.6	0	0	119.4
377	H	27.7	Very low	26.2	Very low	175 Å²	175	134.1 Å²	134.1	81%	0.81	78%	0.782	S	S	*	*				-155.5	97.8	126.5	-86.6	-47.8	0	0	0	110.8	Y379	H377-Y379 AromaticContact ND1-CE2 3.9Å
378	T	22.8	Very low	25.9	Very low	129 Å²	129	133.8 Å²	133.8	79%	0.791	79%	0.785	S	S	*	*			trans	-85	117.6	167.5	-21.9	0	0	0	0	108.2
379	Y	27.6	Very low	25.8	Very low	197 Å²	197	134.4 Å²	134.4	77%	0.773	79%	0.786	S	S	*	*			trans	-136.9	97.3	165.1	-81.3	-77.8	0	0	0	111.3	H377	H377-Y379 AromaticContact ND1-CE2 3.9Å
380	L	27.1	Very low	25.6	Very low	156 Å²	156	133 Å²	133	82%	0.817	79%	0.786	S	S	*	*			trans	28.1	120.5	139.7	-69.8	159.8	0	0	0	120.3
381	S	26.9	Very low	25.6	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	80%	0.795	S	S	*	*			trans	-73.8	136.6	160.4	46.4	0	0	0	0	112.9
382	S	30.3	Very low	25.6	Very low	124 Å²	124	138.3 Å²	138.3	87%	0.867	80%	0.798	S	S	*	*			trans	178.7	134.3	147.9	49.5	0	0	0	0	104.9
383	G	25.1	Very low	25.6	Very low	66 Å²	66	136.9 Å²	136.9	68%	0.68	80%	0.798	S	S	*	*			cis	135.1	122	23.5	0	0	0	0	0	105.9
384	S	27.6	Very low	25.6	Very low	133 Å²	133	134 Å²	134	93%	0.93	79%	0.788	S	S	*	*			trans	81.8	128.1	165.2	76.5	0	0	0	0	120.7
385	G	26.7	Very low	25.6	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	79%	0.787	S	S	*	*			trans	95.9	88	144	0	0	0	0	0	116.7	P387	G385-P387 WeakPolarHBondContact O-CD 3.45Å
386	C	23.7	Very low	25.8	Very low	135 Å²	135	135.7 Å²	135.7	91%	0.912	80%	0.798	S	S	*	*			trans	-93	113.5	172.6	-152.8	0	0	0	0	109.7
387	P	25.6	Very low	25.9	Very low	94 Å²	94	134.2 Å²	134.2	61%	0.61	80%	0.8	S	S	*	*			trans	-95.8	126.2	165.8	26.4	-12.2	0	0	0	109.9	G385 F389	G385-P387 WeakPolarHBondContact O-CD 3.45Å; P387-F389 HydrophobicContact CB-CD2 4.13Å; P387-F389 HydrophobicContact CB-CE2 4.03Å; P387-F389 PolarHBondContact O-N 3Å
388	S	24.9	Very low	25.8	Very low	115 Å²	115	132.1 Å²	132.1	80%	0.804	80%	0.799	S	S	*	*			trans	-64.3	116.5	171	43.1	0	0	0	0	110.4
389	F	26.8	Very low	26	Very low	179 Å²	179	132.2 Å²	132.2	79%	0.785	80%	0.799	S	S	*	*			trans	-131.4	95.8	168.1	-84.7	-78.9	0	0	0	110.7	P387	P387-F389 HydrophobicContact CB-CD2 4.13Å; P387-F389 HydrophobicContact CB-CE2 4.03Å; P387-F389 PolarHBondContact O-N 3Å
390	S	25.1	Very low	25.9	Very low	109 Å²	109	128.4 Å²	128.4	76%	0.762	80%	0.801	S	S	*	*			trans	-74.2	128.7	151.7	48.4	0	0	0	0	108.6
391	R	25.9	Very low	25.8	Very low	240 Å²	240	126.7 Å²	126.7	91%	0.906	80%	0.8	S	S	*	*			trans	-172.6	109.6	145.4	-105.2	165.6	-170.4	-161.1	2.2	109.8	C393	R391-C393 PolarHBondContact O-N 2.83Å
392	V	24.2	Very low	25.7	Very low	135 Å²	135	127.5 Å²	127.5	82%	0.818	80%	0.8	S	S	*	*			trans	-60.2	112.8	162.3	175.5	0	0	0	0	107.2	V394	V392-V394 HydrophobicContact CG1-CG2 4.03Å; V392-V394 PolarHBondContact O-N 3.41Å
393	C	24.3	Very low	25.4	Very low	106 Å²	106	127.8 Å²	127.8	72%	0.716	80%	0.795	S	S	*	*			trans	-89.5	97.9	171.1	-149.7	0	0	0	0	107.4	R391 I395	R391-C393 PolarHBondContact O-N 2.83Å; C393-I395 PolarHBondContact O-N 3.21Å
394	V	22.6	Very low	25.4	Very low	121 Å²	121	132.5 Å²	132.5	73%	0.733	80%	0.804	S	S	*	*			trans	-73.7	99.7	165.2	-178.1	0	0	0	0	106	V392	V392-V394 HydrophobicContact CG1-CG2 4.03Å; V392-V394 PolarHBondContact O-N 3.41Å
395	I	24.7	Very low	25.3	Very low	141 Å²	141	132.5 Å²	132.5	72%	0.723	79%	0.794	S	S	*	*			trans	-88.7	117.2	169.1	-55.6	178.6	0	0	0	106.2	C393	C393-I395 PolarHBondContact O-N 3.21Å
396	S	28.8	Very low	25.1	Very low	139 Å²	139	137.6 Å²	137.6	97%	0.972	80%	0.795	S	S	*	*			trans	-53.1	0	174.7	57.1	0	0	0	0	113	L124	L124-S396 WeakPolarHBondContact CD1-OXT 3.35Å

Retrieved 396 of 396 residues in 322.3 ms (Link to these results)

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