A0A077ZEX7_TRITR Loading...

Phosphorylase b kinase regulatory subunit

Phosphorylase b kinase catalyzes the phosphorylation of serine in certain substrates, including troponin I.

AlphaFold DB , UniProt , Accession A0A077ZEX7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 205 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	42.3	Very low	249 Å²	249	153.8 Å²	153.8	100%	1.227	80%	0.795	S	S	*	*				0	103.5	0	-76.3	174.4	174.1	0	0	108.8
2	R	41	Very low	42.7	Very low	251 Å²	251	155.8 Å²	155.8	95%	0.947	79%	0.787	S	S	*	*			trans	-146.3	59.8	175.2	-137.3	179.1	-169.9	175.1	2.3	109.4
3	H	37.3	Very low	42.6	Very low	187 Å²	187	155.9 Å²	155.9	87%	0.866	78%	0.783	S	S	*	*			trans	-117	109.2	167.5	-83.2	-81.7	0	0	0	106.9
4	K	40.3	Very low	43.1	Very low	210 Å²	210	156.4 Å²	156.4	91%	0.913	79%	0.789	S	S	*	*			trans	148.7	92.7	156.3	-84.4	172.2	-177.8	-168.7	0	109.5
5	A	47.2	Very low	43.1	Very low	94 Å²	94	151.9 Å²	151.9	78%	0.777	77%	0.767	S	S	*	*			trans	-154.9	10.4	159.8	0	0	0	0	0	114
6	F	47.8	Very low	43.6	Very low	213 Å²	213	146.6 Å²	146.6	93%	0.934	74%	0.742	S	S	*	*	S	Bend	trans	-91.4	-3.7	173.3	-79.6	-73.8	0	0	0	113.7
7	A	47.3	Very low	43.9	Very low	79 Å²	79	143.4 Å²	143.4	65%	0.653	73%	0.733	S	S	*	*	S	Bend	trans	-91.8	-7.4	-174.6	0	0	0	0	0	114.7
8	N	37.8	Very low	44.1	Very low	143 Å²	143	143.7 Å²	143.7	77%	0.765	73%	0.731	S	S	*	*			trans	-117.3	30.4	-173.1	-78.4	30.3	0	0	0	113.2	P10	N8-P10 VanDerWaalsContact O-CD 3.28Å; N8-P10 WeakPolarHBondContact O-CD 3.34Å
9	D	45.1	Very low	44.3	Very low	84 Å²	84	143.9 Å²	143.9	45%	0.449	73%	0.729	S	S	.	*			trans	-80.2	112.9	164.5	-171.4	-25.3	0	0	0	108.3	S11 Y12	D9-S11 PolarHBondContact O-N 3.45Å; D9-S11 WeakPolarHBondContact OD1-CB 3.42Å; D9-S11 PolarHBondContact OD1-N 3.06Å; D9-S11 PolarHBondContact OD1-OG 3.08Å; D9-S11 PolarHBondContact OD2-OG 2.92Å; D9-Y12 HydrophobicContact CB-CD2 4.06Å; D9-Y12 PolarHBondContact O-N 2.84Å
10	P	40	Very low	44.7	Very low	114 Å²	114	139.8 Å²	139.8	74%	0.74	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-9.8	-177.6	-18.2	31.5	0	0	0	113.8	N8 Y12	N8-P10 VanDerWaalsContact O-CD 3.28Å; N8-P10 WeakPolarHBondContact O-CD 3.34Å; P10-Y12 PolarHBondContact O-N 3.05Å
11	S	46.1	Very low	45.1	Very low	68 Å²	68	136.3 Å²	136.3	48%	0.476	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	-8.3	175.3	63	0	0	0	0	114.4	D9 I15	D9-S11 PolarHBondContact O-N 3.45Å; D9-S11 WeakPolarHBondContact OD1-CB 3.42Å; D9-S11 PolarHBondContact OD1-N 3.06Å; D9-S11 PolarHBondContact OD1-OG 3.08Å; D9-S11 PolarHBondContact OD2-OG 2.92Å; S11-I15 WeakPolarHBondContact O-CD1 3.35Å
12	Y	47	Very low	46.4	Very low	178 Å²	178	129.8 Å²	129.8	70%	0.698	67%	0.67	S	S	*	*	S	Bend	trans	-104.1	-16.7	-175.9	-79.8	-90.5	0	0	0	116	D9 P10 D14	D9-Y12 HydrophobicContact CB-CD2 4.06Å; D9-Y12 PolarHBondContact O-N 2.84Å; P10-Y12 PolarHBondContact O-N 3.05Å; Y12-D14 PolarHBondContact O-N 3.5Å
13	E	42	Very low	47.5	Very low	157 Å²	157	125.2 Å²	125.2	73%	0.734	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-14.9	-168.3	-75.5	-171.6	158	0	0	115.5
14	D	48.8	Very low	49.5	Very low	163 Å²	163	117.2 Å²	117.2	87%	0.872	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.8	33.2	-176.8	-74.2	-41.5	0	0	0	114.2	Y12	Y12-D14 PolarHBondContact O-N 3.5Å
15	I	43.3	Very low	51.9	Low	88 Å²	88	111.7 Å²	111.7	45%	0.451	59%	0.593	S	S	.	*			trans	-103.6	104.2	178.1	-59	-174	0	0	0	110.1	S11 P17 T20	S11-I15 WeakPolarHBondContact O-CD1 3.35Å; I15-P17 VanDerWaalsContact O-CD 3.28Å; I15-P17 WeakPolarHBondContact O-CD 3.31Å; I15-T20 HydrophobicContact CG2-CG2 3.08Å
16	N	51.8	Low	54.3	Low	68 Å²	68	112 Å²	112	36%	0.364	58%	0.575	S	S	.	*			trans	-57.8	118.7	169.2	-179.3	-9.7	0	0	0	109.8	E18 Q19 T20	N16-E18 PolarHBondContact O-N 3.02Å; N16-E18 WeakPolarHBondContact OD1-CB 3.28Å; N16-E18 PolarHBondContact OD1-N 3.17Å; N16-Q19 HydrophobicContact CB-CB 4.22Å; N16-Q19 HydrophobicContact CB-CG 4.3Å; N16-Q19 PolarHBondContact O-N 2.97Å; N16-Q19 VanDerWaalsContact O-N 3.14Å; N16-T20 PolarHBondContact O-N 3.02Å; N16-T20 VanDerWaalsContact O-N 3.13Å; N16-T20 PolarHBondContact O-OG1 2.95Å
17	P	48.1	Very low	56.6	Low	91 Å²	91	102.1 Å²	102.1	59%	0.591	53%	0.531	S	S	*	.	H	α-helix	trans	-57.8	-30.6	179.7	-23.6	33	0	0	0	113.7	I15 T20 S21	I15-P17 VanDerWaalsContact O-CD 3.28Å; I15-P17 WeakPolarHBondContact O-CD 3.31Å; P17-T20 WeakPolarHBondContact CA-OG1 3.43Å; P17-T20 PolarHBondContact O-OG1 3.39Å; P17-T20 VanDerWaalsContact O-OG1 3.14Å; P17-S21 WeakPolarHBondContact O-CB 3.4Å; P17-S21 PolarHBondContact O-N 3.21Å; P17-S21 VanDerWaalsContact O-N 3.07Å; P17-S21 PolarHBondContact O-OG 3.27Å
18	E	47.2	Very low	58.9	Low	150 Å²	150	106.4 Å²	106.4	70%	0.701	53%	0.531	S	S	*	.	H	α-helix	trans	-74.8	-33.8	179.9	-66.4	-179.5	166	0	0	112	N16	N16-E18 PolarHBondContact O-N 3.02Å; N16-E18 WeakPolarHBondContact OD1-CB 3.28Å; N16-E18 PolarHBondContact OD1-N 3.17Å
19	Q	49	Very low	61.7	Low	148 Å²	148	105.4 Å²	105.4	69%	0.692	52%	0.516	S	S	*	.	H	α-helix	trans	-76.3	-33.7	175.9	-74	-179.7	-6.5	0	0	112.2	N16	N16-Q19 HydrophobicContact CB-CB 4.22Å; N16-Q19 HydrophobicContact CB-CG 4.3Å; N16-Q19 PolarHBondContact O-N 2.97Å; N16-Q19 VanDerWaalsContact O-N 3.14Å
20	T	50.9	Low	64.2	Low	60 Å²	60	101.6 Å²	101.6	37%	0.368	50%	0.496	S	S	.	.	H	α-helix	trans	-72.9	-28.2	172.8	36.5	0	0	0	0	114	I15 N16 P17 N22 W23	I15-T20 HydrophobicContact CG2-CG2 3.08Å; N16-T20 PolarHBondContact O-N 3.02Å; N16-T20 VanDerWaalsContact O-N 3.13Å; N16-T20 PolarHBondContact O-OG1 2.95Å; P17-T20 WeakPolarHBondContact CA-OG1 3.43Å; P17-T20 PolarHBondContact O-OG1 3.39Å; P17-T20 VanDerWaalsContact O-OG1 3.14Å; T20-N22 PolarHBondContact O-N 3.39Å; T20-N22 VanDerWaalsContact O-N 3.08Å; T20-W23 PolarHBondContact O-N 3.49Å; T20-W23 VanDerWaalsContact O-N 3.07Å
21	S	53.1	Low	67	Low	68 Å²	68	101.2 Å²	101.2	48%	0.476	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.5	178.6	-69.2	0	0	0	0	113	P17 Q25	P17-S21 WeakPolarHBondContact O-CB 3.4Å; P17-S21 PolarHBondContact O-N 3.21Å; P17-S21 VanDerWaalsContact O-N 3.07Å; P17-S21 PolarHBondContact O-OG 3.27Å; S21-Q25 VanDerWaalsContact O-CG 3.31Å; S21-Q25 WeakPolarHBondContact O-CG 3.48Å; S21-Q25 PolarHBondContact O-NE2 2.92Å
22	N	63.2	Low	69.4	Low	112 Å²	112	101.4 Å²	101.4	60%	0.599	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-21.4	176.2	-67.9	-13	0	0	0	115.1	T20 Q25	T20-N22 PolarHBondContact O-N 3.39Å; T20-N22 VanDerWaalsContact O-N 3.08Å; N22-Q25 VanDerWaalsContact CA-NE2 3.34Å; N22-Q25 WeakPolarHBondContact O-CG 3.44Å; N22-Q25 PolarHBondContact OD1-NE2 3.15Å
23	W	65.2	Low	71.8	Confident	155 Å²	155	93.7 Å²	93.7	59%	0.587	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	136.2	177.9	-159	66	0	0	0	109.7	T20 Q25	T20-W23 PolarHBondContact O-N 3.49Å; T20-W23 VanDerWaalsContact O-N 3.07Å; W23-Q25 VanDerWaalsContact C-N 3.31Å; W23-Q25 PolarHBondContact O-N 2.95Å
24	L	78.3	Confident	74.4	Confident	19 Å²	19	86.3 Å²	86.3	10%	0.099	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	24.2	179.6	-57.8	175.4	0	0	0	116.3	W26 L27 R28 R168 D172	L24-W26 VanDerWaalsContact C-N 3.32Å; L24-W26 PolarHBondContact O-N 3.3Å; L24-L27 HydrophobicContact CB-CB 4.31Å; L24-L27 HydrophobicContact CB-CD2 4.44Å; L24-L27 HydrophobicContact CD1-CD2 4.2Å; L24-L27 HydrophobicContact CD2-CB 4.42Å; L24-L27 HydrophobicContact CD2-CD2 4.02Å; L24-L27 HydrophobicContact CG-CD2 4.47Å; L24-L27 PolarHBondContact O-N 3.26Å; L24-R28 WeakPolarHBondContact O-CB 3.46Å; L24-R28 PolarHBondContact O-N 3.42Å; L24-R168 HydrophobicContact CD2-CG 4.36Å; L24-D172 WeakPolarHBondContact CA-OD1 3.35Å; L24-D172 VanDerWaalsContact CA-OD2 3.25Å; L24-D172 WeakPolarHBondContact CA-OD2 3.31Å; L24-D172 HydrophobicContact CD2-CB 3.73Å; L24-D172 PolarHBondContact N-OD2 2.66Å
25	Q	91	Very high	76.7	Confident	93 Å²	93	82 Å²	82	44%	0.435	40%	0.398	S	S	.	.	H	α-helix	trans	-58	-42.4	-178.1	-81.2	-176.5	0.3	0	0	112.7	S21 N22 W23 R29 D172	S21-Q25 VanDerWaalsContact O-CG 3.31Å; S21-Q25 WeakPolarHBondContact O-CG 3.48Å; S21-Q25 PolarHBondContact O-NE2 2.92Å; N22-Q25 VanDerWaalsContact CA-NE2 3.34Å; N22-Q25 WeakPolarHBondContact O-CG 3.44Å; N22-Q25 PolarHBondContact OD1-NE2 3.15Å; W23-Q25 VanDerWaalsContact C-N 3.31Å; W23-Q25 PolarHBondContact O-N 2.95Å; Q25-R29 VanDerWaalsContact O-CB 3.23Å; Q25-R29 WeakPolarHBondContact O-CB 3.42Å; Q25-R29 PolarHBondContact O-N 2.92Å; Q25-D172 PolarHBondContact N-OD1 3.34Å
26	W	96.5	Very high	79.2	Confident	102 Å²	102	83.2 Å²	83.2	39%	0.386	41%	0.405	S	S	.	.	H	α-helix	trans	-76.6	-38.7	-177.9	-68.1	109.8	0	0	0	111.4	L24 R28 R29 R30 D172 A174 P175	L24-W26 VanDerWaalsContact C-N 3.32Å; L24-W26 PolarHBondContact O-N 3.3Å; W26-R28 VanDerWaalsContact C-N 3.34Å; W26-R28 PolarHBondContact O-N 3.21Å; W26-R29 HydrophobicContact CE3-CG 4.46Å; W26-R29 PolarHBondContact O-N 3.1Å; W26-R30 WeakPolarHBondContact O-CB 3.22Å; W26-R30 VanDerWaalsContact O-CG 3.32Å; W26-R30 WeakPolarHBondContact O-CG 3.39Å; W26-R30 PolarHBondContact O-N 3.43Å; W26-D172 WeakPolarHBondContact CB-O 3.38Å; W26-D172 PolarHBondContact N-OD1 2.87Å; W26-A174 HydrophobicContact CD2-CB 4.21Å; W26-A174 HydrophobicContact CG-CB 4.42Å; W26-A174 HydrophobicContact CZ2-CB 3.89Å; W26-P175 HydrophobicContact CE3-CG 4.1Å; W26-P175 VanDerWaalsContact CZ3-CD 3.45Å; W26-P175 HydrophobicContact CZ3-CG 3.99Å
27	L	96.5	Very high	81.3	Confident	4 Å²	4	82.1 Å²	82.1	2%	0.021	40%	0.399	C	S	.	.	H	α-helix	trans	-58.7	-47.7	172.6	170.7	62	0	0	0	110.7	L24 R29 R30 R31 E94 R168 Y171 D172	L24-L27 HydrophobicContact CB-CB 4.31Å; L24-L27 HydrophobicContact CB-CD2 4.44Å; L24-L27 HydrophobicContact CD1-CD2 4.2Å; L24-L27 HydrophobicContact CD2-CB 4.42Å; L24-L27 HydrophobicContact CD2-CD2 4.02Å; L24-L27 HydrophobicContact CG-CD2 4.47Å; L24-L27 PolarHBondContact O-N 3.26Å; L27-R29 VanDerWaalsContact C-N 3.33Å; L27-R29 PolarHBondContact O-N 2.84Å; L27-R30 PolarHBondContact O-N 3.44Å; L27-R31 HydrophobicContact CD1-CG 4.38Å; L27-R31 WeakPolarHBondContact O-CG 3.42Å; L27-R31 PolarHBondContact O-N 2.82Å; L27-E94 HydrophobicContact CD1-CB 3.69Å; L27-E94 HydrophobicContact CD1-CG 4.17Å; L27-R168 HydrophobicContact CD2-CG 4.02Å; L27-Y171 WeakPolarHBondContact CA-O 3.25Å; L27-Y171 HydrophobicContact CD1-CG 4.39Å; L27-Y171 PolarHBondContact N-O 3.05Å; L27-D172 HydrophobicContact CB-CB 4.1Å; L27-D172 PolarHBondContact N-OD1 2.91Å
28	R	96.6	Very high	83.7	Confident	170 Å²	170	82.7 Å²	82.7	64%	0.642	39%	0.389	S	S	*	.	H	α-helix	trans	-60.8	-44.2	176	-176	178.3	179.9	-176.7	0.7	111.3	L24 W26 R31 I32	L24-R28 WeakPolarHBondContact O-CB 3.46Å; L24-R28 PolarHBondContact O-N 3.42Å; W26-R28 VanDerWaalsContact C-N 3.34Å; W26-R28 PolarHBondContact O-N 3.21Å; R28-R31 PolarHBondContact O-N 2.91Å; R28-I32 HydrophobicContact CG-CD1 3.91Å; R28-I32 VanDerWaalsContact O-CG1 3.32Å; R28-I32 WeakPolarHBondContact O-CG1 3.42Å; R28-I32 PolarHBondContact O-N 3.15Å
29	R	96.5	Very high	86	Confident	122 Å²	122	77.3 Å²	77.3	46%	0.46	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-46.3	178	178	54.7	-176.4	-99.8	1.8	111.5	Q25 W26 L27 R31 I32 D33	Q25-R29 VanDerWaalsContact O-CB 3.23Å; Q25-R29 WeakPolarHBondContact O-CB 3.42Å; Q25-R29 PolarHBondContact O-N 2.92Å; W26-R29 HydrophobicContact CE3-CG 4.46Å; W26-R29 PolarHBondContact O-N 3.1Å; L27-R29 VanDerWaalsContact C-N 3.33Å; L27-R29 PolarHBondContact O-N 2.84Å; R29-R31 PolarHBondContact O-N 3.34Å; R29-I32 PolarHBondContact O-N 3.22Å; R29-D33 WeakPolarHBondContact CD-OD2 3.41Å; R29-D33 WeakPolarHBondContact CG-OD2 3.47Å; R29-D33 IonicContact CZ-OD1 3.5Å; R29-D33 IonicContact NE-OD1 2.8Å; R29-D33 PolarHBondContact NE-OD1 3.1Å; R29-D33 IonicContact NE-OD2 2.67Å; R29-D33 PolarHBondContact NE-OD2 3.05Å; R29-D33 IonicContact NH2-OD1 3.46Å; R29-D33 WeakPolarHBondContact O-CB 2.92Å; R29-D33 VanDerWaalsContact O-CG 3.3Å; R29-D33 PolarHBondContact O-N 3.5Å
30	R	97.6	Very high	88.2	Confident	4 Å²	4	72.9 Å²	72.9	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-58.2	-45.6	176.3	-74.4	-172.1	175.1	90.8	6.4	112.3	W26 L27 I32 D33 S34 Q97 E101 Y171 S173 T181	W26-R30 WeakPolarHBondContact O-CB 3.22Å; W26-R30 VanDerWaalsContact O-CG 3.32Å; W26-R30 WeakPolarHBondContact O-CG 3.39Å; W26-R30 PolarHBondContact O-N 3.43Å; L27-R30 PolarHBondContact O-N 3.44Å; R30-I32 VanDerWaalsContact C-N 3.34Å; R30-I32 PolarHBondContact O-N 3.36Å; R30-D33 PolarHBondContact O-N 2.67Å; R30-S34 WeakPolarHBondContact O-CB 3.21Å; R30-S34 PolarHBondContact O-N 3.12Å; R30-Q97 HydrophobicContact CB-CB 3.85Å; R30-Q97 HydrophobicContact CB-CG 3.88Å; R30-Q97 HydrophobicContact CG-CB 4.09Å; R30-Q97 HydrophobicContact CG-CG 3.74Å; R30-E101 IonicContact CZ-OE1 2.66Å; R30-E101 VanDerWaalsContact CZ-OE1 3.29Å; R30-E101 IonicContact NE-OE1 3.79Å; R30-E101 PolarHBondContact NE-OE1 2.97Å; R30-E101 IonicContact NH2-OE1 3.6Å; R30-E101 PolarHBondContact NH2-OE1 3.45Å; R30-E101 IonicContact NH2-OE2 2.94Å; R30-Y171 PolarHBondContact NH1-O 3.27Å; R30-S173 VanDerWaalsContact CZ-O 3.25Å; R30-S173 PolarHBondContact NH1-O 3.26Å; R30-S173 PolarHBondContact NH2-O 3.46Å; R30-T181 VanDerWaalsContact NH2-CG2 3.27Å; R30-T181 PolarHBondContact NH2-OG1 3.46Å
31	R	97.4	Very high	90.3	Very high	106 Å²	106	74.5 Å²	74.5	40%	0.4	37%	0.365	S	S	.	.	H	α-helix	trans	-60	-43.3	176.3	-70.9	-177.6	167.1	171.7	0.3	112.2	L27 R28 R29 A35 P93 E94	L27-R31 HydrophobicContact CD1-CG 4.38Å; L27-R31 WeakPolarHBondContact O-CG 3.42Å; L27-R31 PolarHBondContact O-N 2.82Å; R28-R31 PolarHBondContact O-N 2.91Å; R29-R31 PolarHBondContact O-N 3.34Å; R31-A35 WeakPolarHBondContact O-CB 3.49Å; R31-A35 PolarHBondContact O-N 2.78Å; R31-P93 HydrophobicContact CB-CG 4.38Å; R31-P93 HydrophobicContact CG-CG 4.16Å; R31-E94 HydrophobicContact CG-CB 4.22Å; R31-E94 WeakPolarHBondContact CG-OE2 3.35Å; R31-E94 IonicContact CZ-OE1 3.68Å; R31-E94 IonicContact CZ-OE2 3.07Å; R31-E94 IonicContact NE-OE1 2.98Å; R31-E94 PolarHBondContact NE-OE1 3.09Å; R31-E94 IonicContact NE-OE2 2.97Å; R31-E94 PolarHBondContact NE-OE2 2.81Å; R31-E94 IonicContact NH2-OE1 2.57Å; R31-E94 PolarHBondContact NH2-OE1 3.46Å; R31-E94 IonicContact NH2-OE2 2.79Å
32	I	97.4	Very high	92.3	Very high	71 Å²	71	76.5 Å²	76.5	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-68.1	-47	177.9	-66.3	166.6	0	0	0	111.1	R28 R29 R30 S34 A35 L36	R28-I32 HydrophobicContact CG-CD1 3.91Å; R28-I32 VanDerWaalsContact O-CG1 3.32Å; R28-I32 WeakPolarHBondContact O-CG1 3.42Å; R28-I32 PolarHBondContact O-N 3.15Å; R29-I32 PolarHBondContact O-N 3.22Å; R30-I32 VanDerWaalsContact C-N 3.34Å; R30-I32 PolarHBondContact O-N 3.36Å; I32-S34 VanDerWaalsContact C-N 3.32Å; I32-S34 PolarHBondContact O-N 3.5Å; I32-A35 PolarHBondContact O-N 3.25Å; I32-L36 HydrophobicContact CG2-CD1 3.84Å; I32-L36 WeakPolarHBondContact O-CB 3.17Å; I32-L36 VanDerWaalsContact O-CG 3.31Å; I32-L36 WeakPolarHBondContact O-CG 3.42Å; I32-L36 PolarHBondContact O-N 2.86Å; I32-L36 VanDerWaalsContact O-N 3.16Å
33	D	97.4	Very high	93.9	Very high	16 Å²	16	71.2 Å²	71.2	9%	0.086	34%	0.342	C	S	.	.	H	α-helix	trans	-54.4	-51.5	177.3	-73.3	-40.2	0	0	0	110	R29 R30 L36 N37 R38 Q97	R29-D33 WeakPolarHBondContact CD-OD2 3.41Å; R29-D33 WeakPolarHBondContact CG-OD2 3.47Å; R29-D33 IonicContact CZ-OD1 3.5Å; R29-D33 IonicContact NE-OD1 2.8Å; R29-D33 PolarHBondContact NE-OD1 3.1Å; R29-D33 IonicContact NE-OD2 2.67Å; R29-D33 PolarHBondContact NE-OD2 3.05Å; R29-D33 IonicContact NH2-OD1 3.46Å; R29-D33 WeakPolarHBondContact O-CB 2.92Å; R29-D33 VanDerWaalsContact O-CG 3.3Å; R29-D33 PolarHBondContact O-N 3.5Å; R30-D33 PolarHBondContact O-N 2.67Å; D33-L36 CarbonylContact O-C 3.56Å; D33-L36 PolarHBondContact O-N 2.8Å; D33-N37 PolarHBondContact O-N 2.98Å; D33-R38 HydrophobicContact CB-CB 4.45Å; D33-R38 WeakPolarHBondContact O-CB 3.35Å; D33-R38 PolarHBondContact O-N 3.16Å; D33-R38 IonicContact OD1-CZ 3.57Å; D33-R38 IonicContact OD1-NE 3.78Å; D33-R38 PolarHBondContact OD1-NE 3.13Å; D33-R38 IonicContact OD1-NH2 3.5Å; D33-R38 PolarHBondContact OD1-NH2 3.38Å; D33-Q97 HydrophobicContact CB-CG 4.46Å
34	S	97.3	Very high	95.4	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.014	32%	0.323	C	S	.	.	H	α-helix	trans	-69.4	-35.4	-178.8	171.8	0	0	0	0	113.6	R30 I32 L36 N37 P93 R96	R30-S34 WeakPolarHBondContact O-CB 3.21Å; R30-S34 PolarHBondContact O-N 3.12Å; I32-S34 VanDerWaalsContact C-N 3.32Å; I32-S34 PolarHBondContact O-N 3.5Å; S34-L36 PolarHBondContact O-N 3.35Å; S34-N37 PolarHBondContact O-N 2.87Å; S34-N37 PolarHBondContact O-OD1 2.91Å; S34-P93 WeakPolarHBondContact CB-O 3.24Å; S34-P93 VanDerWaalsContact OG-CA 3.27Å; S34-P93 WeakPolarHBondContact OG-CA 3.44Å; S34-P93 WeakPolarHBondContact OG-CB 3.37Å; S34-P93 PolarHBondContact OG-O 3.49Å; S34-R96 PolarHBondContact O-NH1 3.46Å; S34-R96 VanDerWaalsContact O-NH1 3.12Å; S34-R96 WeakPolarHBondContact OG-CB 3.49Å; S34-R96 VanDerWaalsContact OG-CD 3.27Å; S34-R96 WeakPolarHBondContact OG-CD 3.46Å; S34-R96 PolarHBondContact OG-NH1 3.11Å
35	A	96.3	Very high	96.3	Very high	74 Å²	74	65.7 Å²	65.7	61%	0.612	32%	0.321	S	S	*	.	H	α-helix	trans	-66.5	-25.6	176.9	0	0	0	0	0	112.2	R31 I32	R31-A35 WeakPolarHBondContact O-CB 3.49Å; R31-A35 PolarHBondContact O-N 2.78Å; I32-A35 PolarHBondContact O-N 3.25Å
36	L	96.7	Very high	96.6	Very high	113 Å²	113	63.2 Å²	63.2	59%	0.592	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	6.5	177.9	-62	174.8	0	0	0	113	I32 D33 S34 R38	I32-L36 HydrophobicContact CG2-CD1 3.84Å; I32-L36 WeakPolarHBondContact O-CB 3.17Å; I32-L36 VanDerWaalsContact O-CG 3.31Å; I32-L36 WeakPolarHBondContact O-CG 3.42Å; I32-L36 PolarHBondContact O-N 2.86Å; I32-L36 VanDerWaalsContact O-N 3.16Å; D33-L36 CarbonylContact O-C 3.56Å; D33-L36 PolarHBondContact O-N 2.8Å; S34-L36 PolarHBondContact O-N 3.35Å; L36-R38 HydrophobicContact CB-CB 4.49Å; L36-R38 PolarHBondContact O-N 3.34Å; L36-R38 VanDerWaalsContact O-N 3.12Å
37	N	96	Very high	96.6	Very high	44 Å²	44	58.4 Å²	58.4	24%	0.235	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	35.1	-171.8	-65.1	-26.2	0	0	0	113.2	D33 S34 V39 E84 N88	D33-N37 PolarHBondContact O-N 2.98Å; S34-N37 PolarHBondContact O-N 2.87Å; S34-N37 PolarHBondContact O-OD1 2.91Å; N37-V39 PolarHBondContact O-N 3.4Å; N37-E84 PolarHBondContact ND2-OE1 3.05Å; N37-N88 PolarHBondContact ND2-ND2 3.41Å; N37-N88 PolarHBondContact OD1-OD1 3.44Å
38	R	97	Very high	96.6	Very high	103 Å²	103	60 Å²	60	39%	0.389	30%	0.295	S	S	.	.			trans	-80.4	115.2	-177.6	-174.8	163.6	60.2	-142.6	-1	110.3	D33 L36	D33-R38 HydrophobicContact CB-CB 4.45Å; D33-R38 WeakPolarHBondContact O-CB 3.35Å; D33-R38 PolarHBondContact O-N 3.16Å; D33-R38 IonicContact OD1-CZ 3.57Å; D33-R38 IonicContact OD1-NE 3.78Å; D33-R38 PolarHBondContact OD1-NE 3.13Å; D33-R38 IonicContact OD1-NH2 3.5Å; D33-R38 PolarHBondContact OD1-NH2 3.38Å; L36-R38 HydrophobicContact CB-CB 4.49Å; L36-R38 PolarHBondContact O-N 3.34Å; L36-R38 VanDerWaalsContact O-N 3.12Å
39	V	96.7	Very high	96.5	Very high	37 Å²	37	57.1 Å²	57.1	22%	0.224	28%	0.284	C	S	.	.			trans	-122	162.6	177.2	-64.2	0	0	0	0	110.8	N37 F43 Y44 V100	N37-V39 PolarHBondContact O-N 3.4Å; V39-F43 HydrophobicContact CB-CB 3.88Å; V39-F43 HydrophobicContact CB-CD1 3.8Å; V39-F43 HydrophobicContact CB-CD2 4.28Å; V39-F43 HydrophobicContact CB-CE1 4.39Å; V39-F43 HydrophobicContact CB-CG 3.73Å; V39-F43 HydrophobicContact CG1-CD1 3.88Å; V39-F43 HydrophobicContact CG1-CE1 3.99Å; V39-F43 HydrophobicContact CG1-CG 4.23Å; V39-F43 HydrophobicContact CG1-CZ 4.44Å; V39-F43 HydrophobicContact CG2-CB 3.66Å; V39-F43 HydrophobicContact CG2-CD1 3.75Å; V39-F43 HydrophobicContact CG2-CG 3.87Å; V39-Y44 HydrophobicContact CG2-CE2 3.85Å; V39-V100 HydrophobicContact CG1-CG1 4.12Å; V39-V100 HydrophobicContact CG1-CG2 4.22Å
40	P	94.9	Very high	96.4	Very high	56 Å²	56	51.5 Å²	51.5	36%	0.364	26%	0.263	S	S	.	.			trans	-57.8	162.9	173.7	-27.2	38.5	0	0	0	113.2	F43 M104	P40-F43 WeakPolarHBondContact O-CB 3.37Å; P40-F43 PolarHBondContact O-N 3.46Å; P40-M104 HydrophobicContact CB-CE 3.96Å; P40-M104 HydrophobicContact CB-SD 4.06Å; P40-M104 HydrophobicContact CG-CE 3.9Å; P40-M104 HydrophobicContact CG-CG 4.03Å; P40-M104 HydrophobicContact CG-SD 3.72Å
41	S	94	Very high	96.3	Very high	94 Å²	94	51.4 Å²	51.4	66%	0.657	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	145.9	175	61.2	0	0	0	0	111.3	F43	S41-F43 PolarHBondContact O-N 2.89Å
42	D	95.1	Very high	96.1	Very high	110 Å²	110	54.1 Å²	54.1	59%	0.588	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	10.1	178.5	-52.3	-55.3	0	0	0	115.2	Y44 S45 R46	D42-Y44 PolarHBondContact O-N 3.14Å; D42-S45 PolarHBondContact O-N 2.92Å; D42-S45 PolarHBondContact O-OG 3.11Å; D42-R46 HydrophobicContact CB-CG 4.29Å; D42-R46 WeakPolarHBondContact O-CG 3.5Å; D42-R46 PolarHBondContact O-N 3.08Å
43	F	97.4	Very high	95.7	Very high	1 Å²	1	55 Å²	55	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-46.2	-56.6	-174.8	175.1	-104	0	0	0	112.2	V39 P40 S41 S45 R46 I47 V83 L87 V100 M103 M104 I107	V39-F43 HydrophobicContact CB-CB 3.88Å; V39-F43 HydrophobicContact CB-CD1 3.8Å; V39-F43 HydrophobicContact CB-CD2 4.28Å; V39-F43 HydrophobicContact CB-CE1 4.39Å; V39-F43 HydrophobicContact CB-CG 3.73Å; V39-F43 HydrophobicContact CG1-CD1 3.88Å; V39-F43 HydrophobicContact CG1-CE1 3.99Å; V39-F43 HydrophobicContact CG1-CG 4.23Å; V39-F43 HydrophobicContact CG1-CZ 4.44Å; V39-F43 HydrophobicContact CG2-CB 3.66Å; V39-F43 HydrophobicContact CG2-CD1 3.75Å; V39-F43 HydrophobicContact CG2-CG 3.87Å; P40-F43 WeakPolarHBondContact O-CB 3.37Å; P40-F43 PolarHBondContact O-N 3.46Å; S41-F43 PolarHBondContact O-N 2.89Å; F43-S45 PolarHBondContact O-N 3.17Å; F43-R46 PolarHBondContact O-N 3.39Å; F43-R46 VanDerWaalsContact O-N 3.15Å; F43-I47 HydrophobicContact CE1-CG1 4.28Å; F43-I47 HydrophobicContact CE2-CD1 4.38Å; F43-I47 HydrophobicContact CE2-CG1 4.27Å; F43-I47 HydrophobicContact CZ-CD1 4.45Å; F43-I47 HydrophobicContact CZ-CG1 4.14Å; F43-I47 WeakPolarHBondContact O-CG1 3.5Å; F43-I47 PolarHBondContact O-N 3.08Å; F43-V83 HydrophobicContact CE1-CG1 4.19Å; F43-L87 HydrophobicContact CE1-CD1 4.14Å; F43-L87 HydrophobicContact CZ-CD1 4.41Å; F43-V100 HydrophobicContact CE2-CG1 3.97Å; F43-V100 HydrophobicContact CZ-CG1 4.26Å; F43-V100 HydrophobicContact CZ-CG2 4.39Å; F43-M103 HydrophobicContact CE1-CE 4.25Å; F43-M103 HydrophobicContact CE2-CB 4.01Å; F43-M103 HydrophobicContact CE2-CE 4.49Å; F43-M103 HydrophobicContact CZ-CB 4.18Å; F43-M103 HydrophobicContact CZ-CE 3.67Å; F43-M103 HydrophobicContact CZ-SD 3.94Å; F43-M104 HydrophobicContact CD2-CG 4.39Å; F43-M104 HydrophobicContact CD2-SD 3.62Å; F43-M104 HydrophobicContact CE2-CG 4.35Å; F43-M104 HydrophobicContact CE2-SD 4.1Å; F43-I107 HydrophobicContact CD2-CD1 4.36Å
44	Y	97.2	Very high	95.4	Very high	48 Å²	48	54.6 Å²	54.6	19%	0.188	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-43.8	-178.6	-54.6	-74.3	0	0	0	112.4	V39 D42 R46 I47 W48 F79 A80 V83 E84	V39-Y44 HydrophobicContact CG2-CE2 3.85Å; D42-Y44 PolarHBondContact O-N 3.14Å; Y44-R46 PolarHBondContact O-N 3.37Å; Y44-I47 PolarHBondContact O-N 3.1Å; Y44-W48 PolarHBondContact O-N 3.32Å; Y44-F79 VanDerWaalsContact O-CE1 3.25Å; Y44-F79 WeakPolarHBondContact O-CE1 3.27Å; Y44-A80 HydrophobicContact CD1-CB 3.94Å; Y44-A80 HydrophobicContact CD2-CB 3.84Å; Y44-A80 HydrophobicContact CE1-CB 4.36Å; Y44-A80 WeakPolarHBondContact CE1-O 3.45Å; Y44-A80 HydrophobicContact CE2-CB 4.31Å; Y44-A80 HydrophobicContact CG-CB 3.63Å; Y44-V83 HydrophobicContact CD1-CB 3.87Å; Y44-V83 HydrophobicContact CD1-CG1 3.92Å; Y44-V83 HydrophobicContact CE1-CB 4.13Å; Y44-V83 HydrophobicContact CE1-CG1 4.07Å; Y44-E84 HydrophobicContact CE1-CB 4.32Å; Y44-E84 PolarHBondContact OH-OE2 3.33Å
45	S	96.6	Very high	95.2	Very high	9 Å²	9	58 Å²	58	6%	0.063	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-32.9	178	82.9	0	0	0	0	112.1	D42 F43 W48 R49 T74 N75	D42-S45 PolarHBondContact O-N 2.92Å; D42-S45 PolarHBondContact O-OG 3.11Å; F43-S45 PolarHBondContact O-N 3.17Å; S45-W48 WeakPolarHBondContact O-CB 3.29Å; S45-W48 PolarHBondContact O-N 2.85Å; S45-R49 VanDerWaalsContact C-NH1 3.26Å; S45-R49 WeakPolarHBondContact O-CG 3.4Å; S45-R49 PolarHBondContact O-N 3.07Å; S45-R49 PolarHBondContact O-NH1 2.64Å; S45-R49 PolarHBondContact OG-NH1 2.85Å; S45-T74 WeakPolarHBondContact CA-O 3.45Å; S45-T74 WeakPolarHBondContact CB-O 3.38Å; S45-T74 PolarHBondContact O-OG1 2.92Å; S45-N75 WeakPolarHBondContact CB-OD1 3.23Å
46	R	97.1	Very high	95.1	Very high	42 Å²	42	54.5 Å²	54.5	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-75.7	-35.2	177.4	-67.9	172.9	76.5	-161.1	-1.1	111.6	D42 F43 Y44 W48 R49 L50 I107 E111	D42-R46 HydrophobicContact CB-CG 4.29Å; D42-R46 WeakPolarHBondContact O-CG 3.5Å; D42-R46 PolarHBondContact O-N 3.08Å; F43-R46 PolarHBondContact O-N 3.39Å; F43-R46 VanDerWaalsContact O-N 3.15Å; Y44-R46 PolarHBondContact O-N 3.37Å; R46-W48 VanDerWaalsContact C-N 3.34Å; R46-R49 PolarHBondContact O-N 2.98Å; R46-L50 WeakPolarHBondContact O-CB 3.5Å; R46-L50 PolarHBondContact O-N 3.21Å; R46-I107 HydrophobicContact CB-CD1 3.77Å; R46-I107 HydrophobicContact CB-CG1 4.08Å; R46-I107 HydrophobicContact CB-CG2 3.71Å; R46-I107 HydrophobicContact CG-CG2 4.3Å; R46-E111 IonicContact CZ-OE1 3.74Å; R46-E111 IonicContact CZ-OE2 3.72Å; R46-E111 IonicContact NE-OE1 3.51Å; R46-E111 PolarHBondContact NE-OE1 3.36Å; R46-E111 IonicContact NE-OE2 2.88Å; R46-E111 PolarHBondContact NE-OE2 2.99Å; R46-E111 IonicContact NH2-OE1 3.44Å; R46-E111 PolarHBondContact NH2-OE1 2.97Å; R46-E111 IonicContact NH2-OE2 2.72Å; R46-E111 PolarHBondContact NH2-OE2 3.25Å
47	I	96.9	Very high	95.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-39.9	169.1	-63.9	-59.7	0	0	0	111.8	F43 Y44 R49 L50 L51 F79 V83 M103 I107	F43-I47 HydrophobicContact CE1-CG1 4.28Å; F43-I47 HydrophobicContact CE2-CD1 4.38Å; F43-I47 HydrophobicContact CE2-CG1 4.27Å; F43-I47 HydrophobicContact CZ-CD1 4.45Å; F43-I47 HydrophobicContact CZ-CG1 4.14Å; F43-I47 WeakPolarHBondContact O-CG1 3.5Å; F43-I47 PolarHBondContact O-N 3.08Å; Y44-I47 PolarHBondContact O-N 3.1Å; I47-R49 VanDerWaalsContact C-N 3.3Å; I47-R49 PolarHBondContact O-N 2.57Å; I47-L50 HydrophobicContact CD1-CD2 3.99Å; I47-L50 WeakPolarHBondContact O-CB 3.46Å; I47-L50 PolarHBondContact O-N 3.25Å; I47-L50 VanDerWaalsContact O-N 3.16Å; I47-L51 HydrophobicContact CG2-CD1 4.26Å; I47-L51 HydrophobicContact CG2-CG 4.29Å; I47-L51 WeakPolarHBondContact O-CG 3.38Å; I47-L51 PolarHBondContact O-N 3.27Å; I47-F79 HydrophobicContact CB-CE1 4.47Å; I47-F79 HydrophobicContact CG2-CE1 4.41Å; I47-F79 HydrophobicContact CG2-CZ 4.14Å; I47-V83 HydrophobicContact CG2-CG2 4.27Å; I47-M103 HydrophobicContact CD1-CB 3.95Å; I47-M103 HydrophobicContact CD1-CE 3.38Å; I47-M103 HydrophobicContact CD1-CG 4.34Å; I47-M103 HydrophobicContact CG1-CE 3.64Å; I47-M103 HydrophobicContact CG2-CE 4.12Å; I47-I107 HydrophobicContact CD1-CD1 3.44Å; I47-I107 VanDerWaalsContact CD1-CD1 3.44Å; I47-I107 HydrophobicContact CD1-CG1 3.77Å; I47-I107 HydrophobicContact CG1-CD1 3.97Å
48	W	97	Very high	95.1	Very high	38 Å²	38	49.3 Å²	49.3	14%	0.144	23%	0.228	C	C	.	.	H	α-helix	trans	-57.3	-45.6	174	-173.7	99.9	0	0	0	111.3	Y44 S45 R46 L51 R52 T69 M72 F79	Y44-W48 PolarHBondContact O-N 3.32Å; S45-W48 WeakPolarHBondContact O-CB 3.29Å; S45-W48 PolarHBondContact O-N 2.85Å; R46-W48 VanDerWaalsContact C-N 3.34Å; W48-L51 PolarHBondContact O-N 3.39Å; W48-R52 HydrophobicContact CE3-CG 4.44Å; W48-R52 VanDerWaalsContact CH2-CD 3.47Å; W48-R52 HydrophobicContact CH2-CG 4.29Å; W48-R52 HydrophobicContact CZ3-CG 4.14Å; W48-R52 PolarHBondContact O-N 3.29Å; W48-T69 HydrophobicContact CD2-CG2 4.26Å; W48-T69 HydrophobicContact CG-CG2 4.17Å; W48-T69 WeakPolarHBondContact CZ2-O 3.37Å; W48-T69 WeakPolarHBondContact O-CG2 3.45Å; W48-M72 PolarHBondContact NE1-O 3.41Å; W48-F79 HydrophobicContact CB-CD1 4.18Å; W48-F79 HydrophobicContact CB-CE1 3.68Å; W48-F79 HydrophobicContact CB-CE2 4.37Å; W48-F79 HydrophobicContact CB-CZ 3.77Å; W48-F79 AromaticContact CD1-CD2 3.79Å; W48-F79 AromaticContact CD1-CE2 3.82Å; W48-F79 HydrophobicContact CG-CE1 4.45Å; W48-F79 HydrophobicContact CG-CE2 4.46Å; W48-F79 HydrophobicContact CG-CZ 4.33Å
49	R	94.9	Very high	95.1	Very high	110 Å²	110	44.4 Å²	44.4	42%	0.415	21%	0.21	S	C	.	.	H	α-helix	trans	-66.4	-36.8	176	-66.1	179.2	-169.8	91.6	-6.1	112.4	S45 R46 I47 R52	S45-R49 VanDerWaalsContact C-NH1 3.26Å; S45-R49 WeakPolarHBondContact O-CG 3.4Å; S45-R49 PolarHBondContact O-N 3.07Å; S45-R49 PolarHBondContact O-NH1 2.64Å; S45-R49 PolarHBondContact OG-NH1 2.85Å; R46-R49 PolarHBondContact O-N 2.98Å; I47-R49 VanDerWaalsContact C-N 3.3Å; I47-R49 PolarHBondContact O-N 2.57Å; R49-R52 WeakPolarHBondContact O-CB 3.49Å; R49-R52 PolarHBondContact O-N 3.05Å
50	L	93.9	Very high	94.9	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-50.2	175.5	-176.7	72.4	0	0	0	111	R46 I47 R52 R53 Y54 L106 I107 N110	R46-L50 WeakPolarHBondContact O-CB 3.5Å; R46-L50 PolarHBondContact O-N 3.21Å; I47-L50 HydrophobicContact CD1-CD2 3.99Å; I47-L50 WeakPolarHBondContact O-CB 3.46Å; I47-L50 PolarHBondContact O-N 3.25Å; I47-L50 VanDerWaalsContact O-N 3.16Å; L50-R52 PolarHBondContact O-N 3.35Å; L50-R52 VanDerWaalsContact O-N 3.13Å; L50-R53 PolarHBondContact O-N 2.81Å; L50-Y54 HydrophobicContact CD1-CD2 3.9Å; L50-Y54 HydrophobicContact CD1-CE2 3.5Å; L50-Y54 HydrophobicContact CG-CD2 4.03Å; L50-Y54 HydrophobicContact CG-CE2 4.16Å; L50-Y54 WeakPolarHBondContact O-CD2 3.4Å; L50-L106 HydrophobicContact CD1-CB 4.18Å; L50-L106 WeakPolarHBondContact CD1-O 3.45Å; L50-L106 HydrophobicContact CD2-CB 3.89Å; L50-I107 HydrophobicContact CD2-CG1 4.29Å; L50-N110 HydrophobicContact CD1-CB 3.52Å
51	L	94.8	Very high	94.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-19.9	-179.2	-72.7	179.6	0	0	0	113.5	I47 W48 R53 L57 L64 R66 T69 F79	I47-L51 HydrophobicContact CG2-CD1 4.26Å; I47-L51 HydrophobicContact CG2-CG 4.29Å; I47-L51 WeakPolarHBondContact O-CG 3.38Å; I47-L51 PolarHBondContact O-N 3.27Å; W48-L51 PolarHBondContact O-N 3.39Å; L51-R53 PolarHBondContact O-N 3.22Å; L51-L57 HydrophobicContact CD2-CB 4.17Å; L51-L64 HydrophobicContact CD1-CB 4.15Å; L51-L64 HydrophobicContact CD2-CB 4.29Å; L51-L64 VanDerWaalsContact CD2-O 3.29Å; L51-L64 WeakPolarHBondContact CD2-O 3.27Å; L51-R66 WeakPolarHBondContact O-CB 3.32Å; L51-R66 WeakPolarHBondContact O-CD 3.31Å; L51-R66 WeakPolarHBondContact O-CG 3.48Å; L51-T69 HydrophobicContact CB-CG2 3.64Å; L51-F79 HydrophobicContact CD1-CE2 4.06Å; L51-F79 HydrophobicContact CD1-CZ 3.96Å
52	R	92.8	Very high	94.8	Very high	163 Å²	163	43.1 Å²	43.1	62%	0.615	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.9	172.4	-78.5	-168.5	52	-143.9	-11.8	113.6	W48 R49 L50 T69	W48-R52 HydrophobicContact CE3-CG 4.44Å; W48-R52 VanDerWaalsContact CH2-CD 3.47Å; W48-R52 HydrophobicContact CH2-CG 4.29Å; W48-R52 HydrophobicContact CZ3-CG 4.14Å; W48-R52 PolarHBondContact O-N 3.29Å; R49-R52 WeakPolarHBondContact O-CB 3.49Å; R49-R52 PolarHBondContact O-N 3.05Å; L50-R52 PolarHBondContact O-N 3.35Å; L50-R52 VanDerWaalsContact O-N 3.13Å; R52-T69 HydrophobicContact CG-CG2 4.15Å
53	R	89.2	Confident	94.9	Very high	89 Å²	89	41.4 Å²	41.4	34%	0.336	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-35.2	-178.8	-175	171.5	-174.2	160.3	-1.7	113.2	L50 L51 N110	L50-R53 PolarHBondContact O-N 2.81Å; L51-R53 PolarHBondContact O-N 3.22Å; R53-N110 WeakPolarHBondContact CD-OD1 3.37Å; R53-N110 PolarHBondContact NH1-OD1 3.34Å
54	Y	91.3	Very high	94.8	Very high	8 Å²	8	41.4 Å²	41.4	3%	0.031	21%	0.205	C	C	.	.	S	Bend	trans	-103.3	158.3	-176	-59.4	-75.3	0	0	0	111.1	L50 G56 R66 L118 G119 T120 V123	L50-Y54 HydrophobicContact CD1-CD2 3.9Å; L50-Y54 HydrophobicContact CD1-CE2 3.5Å; L50-Y54 HydrophobicContact CG-CD2 4.03Å; L50-Y54 HydrophobicContact CG-CE2 4.16Å; L50-Y54 WeakPolarHBondContact O-CD2 3.4Å; Y54-G56 VanDerWaalsContact C-N 3.31Å; Y54-R66 WeakPolarHBondContact O-CB 3.45Å; Y54-R66 WeakPolarHBondContact O-CD 3.06Å; Y54-L118 HydrophobicContact CE1-CB 3.84Å; Y54-L118 HydrophobicContact CE1-CD1 4.4Å; Y54-G119 WeakPolarHBondContact CD1-O 3.41Å; Y54-G119 WeakPolarHBondContact CE1-O 3.38Å; Y54-T120 CarbonylContact C-O 3.52Å; Y54-V123 HydrophobicContact CD1-CG2 3.62Å; Y54-V123 HydrophobicContact CE1-CG2 3.95Å; Y54-V123 HydrophobicContact CG-CG2 4.06Å
55	E	92.4	Very high	94.8	Very high	74 Å²	74	41.7 Å²	41.7	35%	0.346	21%	0.208	S	C	.	.	S	Bend	trans	-67.7	-37.6	175.3	-171.4	174.8	168	0	0	111	R66 T120 G121 F122	E55-R66 VanDerWaalsContact O-CB 3.29Å; E55-R66 WeakPolarHBondContact O-CB 3.44Å; E55-R66 PolarHBondContact O-N 3.35Å; E55-T120 WeakPolarHBondContact CB-O 3.2Å; E55-T120 PolarHBondContact N-O 3.01Å; E55-G121 PolarHBondContact N-O 3.35Å; E55-G121 VanDerWaalsContact N-O 3.17Å; E55-F122 HydrophobicContact CB-CD2 4.43Å; E55-F122 HydrophobicContact CB-CE1 4.46Å; E55-F122 HydrophobicContact CB-CE2 4.36Å; E55-F122 HydrophobicContact CB-CZ 4.37Å; E55-F122 HydrophobicContact CG-CD2 4.25Å; E55-F122 HydrophobicContact CG-CE1 4.1Å; E55-F122 HydrophobicContact CG-CE2 3.71Å; E55-F122 HydrophobicContact CG-CZ 3.62Å; E55-F122 WeakPolarHBondContact OE1-CE2 3.47Å; E55-F122 WeakPolarHBondContact OE1-CZ 3.48Å
56	G	94.7	Very high	94.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	175.7	171.3	0	0	0	0	0	112.7	Y54 L64 F122 V123	Y54-G56 VanDerWaalsContact C-N 3.31Å; G56-L64 CarbonylContact C-O 3.47Å; G56-L64 WeakPolarHBondContact CA-O 3.45Å; G56-F122 WeakPolarHBondContact O-CA 3.39Å; G56-V123 PolarHBondContact O-N 3.07Å
57	L	96.7	Very high	94.6	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.1	176.3	-174.7	68.7	0	0	0	108.9	L51 I59 V63 L64 M103 L106 V123 A125	L51-L57 HydrophobicContact CD2-CB 4.17Å; L57-I59 HydrophobicContact CD2-CD1 3.63Å; L57-I59 HydrophobicContact CD2-CG1 4Å; L57-I59 HydrophobicContact CG-CD1 4Å; L57-I59 HydrophobicContact CG-CG1 3.83Å; L57-V63 WeakPolarHBondContact O-CA 3.44Å; L57-L64 HydrophobicContact CB-CB 4.37Å; L57-L64 PolarHBondContact N-O 3.33Å; L57-L64 PolarHBondContact O-N 2.99Å; L57-M103 HydrophobicContact CD2-CE 3.86Å; L57-M103 HydrophobicContact CD2-CG 3.69Å; L57-M103 HydrophobicContact CD2-SD 4.11Å; L57-L106 HydrophobicContact CD1-CD1 3.62Å; L57-V123 WeakPolarHBondContact CA-O 3.29Å; L57-V123 HydrophobicContact CD1-CB 4.05Å; L57-V123 HydrophobicContact CD1-CG1 4.18Å; L57-V123 WeakPolarHBondContact CD1-O 3.4Å; L57-A125 HydrophobicContact CD1-CB 4.23Å
58	I	97	Very high	94.5	Very high	44 Å²	44	48.1 Å²	48.1	23%	0.226	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.3	176.1	-53.8	170.5	0	0	0	108.1	Q62 V63 F122 V123 N124 A125	I58-Q62 CarbonylContact C-O 3.37Å; I58-Q62 WeakPolarHBondContact CA-O 3.42Å; I58-V63 HydrophobicContact CG1-CG2 4.25Å; I58-F122 HydrophobicContact CD1-CB 3.92Å; I58-F122 HydrophobicContact CD1-CG 4.34Å; I58-F122 HydrophobicContact CG1-CB 4.27Å; I58-F122 HydrophobicContact CG1-CD1 4.23Å; I58-V123 PolarHBondContact N-O 3.14Å; I58-N124 HydrophobicContact CB-CB 4.32Å; I58-N124 HydrophobicContact CD1-CB 4.42Å; I58-A125 WeakPolarHBondContact O-CB 3.4Å; I58-A125 PolarHBondContact O-N 2.88Å
59	I	96.4	Very high	94.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	115.5	-175.1	-58.8	175.2	0	0	0	109.7	L57 G61 Q62 L64 V86 L87 I90 I99 M103 A125	L57-I59 HydrophobicContact CD2-CD1 3.63Å; L57-I59 HydrophobicContact CD2-CG1 4Å; L57-I59 HydrophobicContact CG-CD1 4Å; L57-I59 HydrophobicContact CG-CG1 3.83Å; I59-G61 PolarHBondContact O-N 3.16Å; I59-Q62 PolarHBondContact N-O 3.22Å; I59-Q62 WeakPolarHBondContact O-CA 3.35Å; I59-Q62 VanDerWaalsContact O-CB 3.32Å; I59-Q62 WeakPolarHBondContact O-CB 3.3Å; I59-Q62 PolarHBondContact O-N 3.36Å; I59-L64 HydrophobicContact CD1-CD1 3.79Å; I59-L64 HydrophobicContact CD1-CG 4.49Å; I59-V86 HydrophobicContact CB-CG1 4.22Å; I59-V86 HydrophobicContact CD1-CG1 4.4Å; I59-V86 HydrophobicContact CG2-CG1 4.42Å; I59-L87 HydrophobicContact CG2-CD2 4.28Å; I59-I90 HydrophobicContact CG2-CD1 3.71Å; I59-I99 HydrophobicContact CB-CG2 4.49Å; I59-I99 HydrophobicContact CD1-CG2 4.29Å; I59-I99 HydrophobicContact CG1-CG2 4.28Å; I59-I99 HydrophobicContact CG2-CG1 4.49Å; I59-I99 HydrophobicContact CG2-CG2 3.54Å; I59-M103 HydrophobicContact CD1-CE 4.02Å; I59-M103 HydrophobicContact CD1-SD 3.61Å; I59-A125 HydrophobicContact CG1-CB 4.27Å
60	G	92	Very high	94.1	Very high	31 Å²	31	49 Å²	49	32%	0.32	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	36.2	173.8	0	0	0	0	0	112.8	Q62 D126	G60-Q62 PolarHBondContact O-N 3.12Å; G60-D126 PolarHBondContact N-OD1 2.99Å; G60-D126 PolarHBondContact N-OD2 3.48Å
61	G	91.6	Very high	94	Very high	63 Å²	63	55 Å²	55	65%	0.649	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	6.8	-174.9	0	0	0	0	0	115.3	I59	I59-G61 PolarHBondContact O-N 3.16Å
62	Q	96.1	Very high	93.9	Very high	66 Å²	66	55.5 Å²	55.5	31%	0.308	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	161.1	171.5	-55.9	-62.9	-71.1	0	0	110.3	I58 I59 G60 V86 K89	I58-Q62 CarbonylContact C-O 3.37Å; I58-Q62 WeakPolarHBondContact CA-O 3.42Å; I59-Q62 PolarHBondContact N-O 3.22Å; I59-Q62 WeakPolarHBondContact O-CA 3.35Å; I59-Q62 VanDerWaalsContact O-CB 3.32Å; I59-Q62 WeakPolarHBondContact O-CB 3.3Å; I59-Q62 PolarHBondContact O-N 3.36Å; G60-Q62 PolarHBondContact O-N 3.12Å; Q62-V86 HydrophobicContact CB-CG1 3.74Å; Q62-V86 HydrophobicContact CB-CG2 4.44Å; Q62-V86 HydrophobicContact CG-CG1 4.38Å; Q62-K89 HydrophobicContact CG-CB 4.42Å; Q62-K89 HydrophobicContact CG-CD 3.7Å
63	V	96.4	Very high	93.9	Very high	74 Å²	74	52.1 Å²	52.1	45%	0.448	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.9	-179.9	-173.7	0	0	0	0	110.2	L57 I58 F122	L57-V63 WeakPolarHBondContact O-CA 3.44Å; I58-V63 HydrophobicContact CG1-CG2 4.25Å; V63-F122 HydrophobicContact CG1-CD1 4.06Å; V63-F122 HydrophobicContact CG1-CE1 3.57Å
64	L	96.6	Very high	93.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	97.2	163	-69.4	174.2	0	0	0	108.3	L51 G56 L57 I59 L68 T82 V83 V86 M103	L51-L64 HydrophobicContact CD1-CB 4.15Å; L51-L64 HydrophobicContact CD2-CB 4.29Å; L51-L64 VanDerWaalsContact CD2-O 3.29Å; L51-L64 WeakPolarHBondContact CD2-O 3.27Å; G56-L64 CarbonylContact C-O 3.47Å; G56-L64 WeakPolarHBondContact CA-O 3.45Å; L57-L64 HydrophobicContact CB-CB 4.37Å; L57-L64 PolarHBondContact N-O 3.33Å; L57-L64 PolarHBondContact O-N 2.99Å; I59-L64 HydrophobicContact CD1-CD1 3.79Å; I59-L64 HydrophobicContact CD1-CG 4.49Å; L64-L68 HydrophobicContact CB-CD1 4.46Å; L64-L68 HydrophobicContact CD2-CD1 3.84Å; L64-T82 HydrophobicContact CD2-CG2 4.5Å; L64-V83 HydrophobicContact CD1-CG1 4.2Å; L64-V83 HydrophobicContact CD1-CG2 4.12Å; L64-V83 HydrophobicContact CD2-CG2 4.22Å; L64-V86 HydrophobicContact CD2-CB 4.14Å; L64-V86 HydrophobicContact CD2-CG1 4.43Å; L64-V86 HydrophobicContact CD2-CG2 3.74Å; L64-V86 HydrophobicContact CG-CB 4.47Å; L64-V86 HydrophobicContact CG-CG1 4.24Å; L64-V86 HydrophobicContact CG-CG2 4.37Å; L64-M103 HydrophobicContact CD1-CE 4.36Å
65	H	96.1	Very high	93.6	Very high	55 Å²	55	55.2 Å²	55.2	26%	0.255	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	148.5	-177.7	-163.9	-93	0	0	0	111.8	N67 L68 F122	H65-N67 VanDerWaalsContact CE1-CG 3.43Å; H65-N67 PolarHBondContact CE1-OD1 3.39Å; H65-N67 WeakPolarHBondContact ND1-CB 3.29Å; H65-N67 PolarHBondContact ND1-N 2.82Å; H65-N67 VanDerWaalsContact ND1-N 3.17Å; H65-N67 PolarHBondContact ND1-ND2 2.62Å; H65-N67 PolarHBondContact ND1-OD1 3.02Å; H65-N67 VanDerWaalsContact ND1-OD1 3.08Å; H65-N67 PolarHBondContact O-N 2.78Å; H65-N67 VanDerWaalsContact O-N 3.1Å; H65-L68 WeakPolarHBondContact O-CB 3.48Å; H65-L68 WeakPolarHBondContact O-CG 3.29Å; H65-L68 PolarHBondContact O-N 2.9Å; H65-L68 VanDerWaalsContact O-N 3.14Å; H65-F122 AromaticContact CD2-CE1 3.93Å; H65-F122 AromaticContact CD2-CZ 3.85Å
66	R	95.1	Very high	93.5	Very high	89 Å²	89	54.9 Å²	54.9	34%	0.336	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.9	176.2	176.6	171.8	64.5	-162.2	-4.7	113.9	L51 Y54 E55 L68 T69	L51-R66 WeakPolarHBondContact O-CB 3.32Å; L51-R66 WeakPolarHBondContact O-CD 3.31Å; L51-R66 WeakPolarHBondContact O-CG 3.48Å; Y54-R66 WeakPolarHBondContact O-CB 3.45Å; Y54-R66 WeakPolarHBondContact O-CD 3.06Å; E55-R66 VanDerWaalsContact O-CB 3.29Å; E55-R66 WeakPolarHBondContact O-CB 3.44Å; E55-R66 PolarHBondContact O-N 3.35Å; R66-L68 PolarHBondContact O-N 3.39Å; R66-L68 VanDerWaalsContact O-N 3.08Å; R66-T69 WeakPolarHBondContact O-CB 3.48Å; R66-T69 PolarHBondContact O-N 2.87Å; R66-T69 PolarHBondContact O-OG1 3.11Å
67	N	95	Very high	93.4	Very high	69 Å²	69	63.1 Å²	63.1	37%	0.369	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.5	179.3	-66.9	3.6	0	0	0	112.5	H65 T69 Q70 E71	H65-N67 VanDerWaalsContact CE1-CG 3.43Å; H65-N67 PolarHBondContact CE1-OD1 3.39Å; H65-N67 WeakPolarHBondContact ND1-CB 3.29Å; H65-N67 PolarHBondContact ND1-N 2.82Å; H65-N67 VanDerWaalsContact ND1-N 3.17Å; H65-N67 PolarHBondContact ND1-ND2 2.62Å; H65-N67 PolarHBondContact ND1-OD1 3.02Å; H65-N67 VanDerWaalsContact ND1-OD1 3.08Å; H65-N67 PolarHBondContact O-N 2.78Å; H65-N67 VanDerWaalsContact O-N 3.1Å; N67-T69 PolarHBondContact O-N 2.99Å; N67-T69 VanDerWaalsContact O-N 3.1Å; N67-Q70 WeakPolarHBondContact O-CB 3.48Å; N67-Q70 PolarHBondContact O-N 3.28Å; N67-E71 PolarHBondContact O-N 2.98Å; N67-E71 VanDerWaalsContact O-N 3.15Å
68	L	93.9	Very high	93.3	Very high	28 Å²	28	68.5 Å²	68.5	15%	0.147	36%	0.357	C	S	.	.	H	α-helix	trans	-55.3	-30.3	172.9	-65.4	174.1	0	0	0	112.6	L64 H65 R66 Q70 M72 F79 T82	L64-L68 HydrophobicContact CB-CD1 4.46Å; L64-L68 HydrophobicContact CD2-CD1 3.84Å; H65-L68 WeakPolarHBondContact O-CB 3.48Å; H65-L68 WeakPolarHBondContact O-CG 3.29Å; H65-L68 PolarHBondContact O-N 2.9Å; H65-L68 VanDerWaalsContact O-N 3.14Å; R66-L68 PolarHBondContact O-N 3.39Å; R66-L68 VanDerWaalsContact O-N 3.08Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-M72 HydrophobicContact CD2-CE 4.16Å; L68-M72 WeakPolarHBondContact O-CB 3.45Å; L68-M72 PolarHBondContact O-N 3.49Å; L68-F79 HydrophobicContact CB-CD2 4.21Å; L68-F79 HydrophobicContact CB-CE2 3.98Å; L68-T82 HydrophobicContact CD1-CG2 4.07Å; L68-T82 HydrophobicContact CD2-CG2 4.14Å
69	T	92.4	Very high	93.3	Very high	17 Å²	17	66.5 Å²	66.5	10%	0.104	35%	0.346	C	S	.	.	H	α-helix	trans	-78.9	-14.8	178.3	69.6	0	0	0	0	114	W48 L51 R52 R66 N67	W48-T69 HydrophobicContact CD2-CG2 4.26Å; W48-T69 HydrophobicContact CG-CG2 4.17Å; W48-T69 WeakPolarHBondContact CZ2-O 3.37Å; W48-T69 WeakPolarHBondContact O-CG2 3.45Å; L51-T69 HydrophobicContact CB-CG2 3.64Å; R52-T69 HydrophobicContact CG-CG2 4.15Å; R66-T69 WeakPolarHBondContact O-CB 3.48Å; R66-T69 PolarHBondContact O-N 2.87Å; R66-T69 PolarHBondContact O-OG1 3.11Å; N67-T69 PolarHBondContact O-N 2.99Å; N67-T69 VanDerWaalsContact O-N 3.1Å
70	Q	91.6	Very high	93.2	Very high	148 Å²	148	67.3 Å²	67.3	69%	0.692	35%	0.353	S	S	*	.	H	α-helix	trans	-89.9	-32	174	-61.7	176.5	-14.5	0	0	111	N67 L68	N67-Q70 WeakPolarHBondContact O-CB 3.48Å; N67-Q70 PolarHBondContact O-N 3.28Å; L68-Q70 VanDerWaalsContact C-N 3.32Å
71	E	91.6	Very high	93.4	Very high	131 Å²	131	69.3 Å²	69.3	61%	0.612	36%	0.356	S	S	*	.	H	α-helix	trans	-86.4	-25.2	-179	-66.1	173.7	-159.7	0	0	113.7	N67	N67-E71 PolarHBondContact O-N 2.98Å; N67-E71 VanDerWaalsContact O-N 3.15Å
72	M	93.8	Very high	93.7	Very high	12 Å²	12	68.3 Å²	68.3	6%	0.059	34%	0.337	C	S	.	.	S	Bend	trans	-133.6	149.5	-173.2	-52.5	-177.6	-163.5	0	0	111.4	W48 L68 E76 K78 F79	W48-M72 PolarHBondContact NE1-O 3.41Å; L68-M72 HydrophobicContact CD2-CE 4.16Å; L68-M72 WeakPolarHBondContact O-CB 3.45Å; L68-M72 PolarHBondContact O-N 3.49Å; M72-E76 VanDerWaalsContact CA-OE2 3.28Å; M72-E76 WeakPolarHBondContact CA-OE2 3.41Å; M72-E76 HydrophobicContact CB-CB 4.5Å; M72-K78 HydrophobicContact CE-CD 3.71Å; M72-K78 HydrophobicContact CE-CG 3.84Å; M72-K78 HydrophobicContact CG-CD 4.45Å; M72-K78 HydrophobicContact SD-CB 3.99Å; M72-K78 HydrophobicContact SD-CD 3.95Å; M72-K78 HydrophobicContact SD-CG 3.78Å; M72-F79 HydrophobicContact CB-CB 4.11Å; M72-F79 VanDerWaalsContact SD-CA 3.52Å; M72-F79 HydrophobicContact SD-CB 3.86Å; M72-F79 HydrophobicContact SD-CD2 4.43Å; M72-F79 PolarHBondContact SD-N 2.92Å; M72-F79 VanDerWaalsContact SD-N 3.44Å
73	T	90.9	Very high	93.7	Very high	91 Å²	91	65.1 Å²	65.1	56%	0.558	32%	0.322	S	S	*	.			trans	-86.3	160.3	177.9	67.6	0	0	0	0	112.6	N75 E76	T73-N75 PolarHBondContact O-N 3.36Å; T73-N75 VanDerWaalsContact O-N 3.08Å; T73-E76 PolarHBondContact N-OE2 2.93Å; T73-E76 VanDerWaalsContact O-CB 3.31Å; T73-E76 WeakPolarHBondContact O-CB 3.49Å; T73-E76 PolarHBondContact O-N 2.79Å
74	T	86.5	Confident	93.7	Very high	36 Å²	36	64.1 Å²	64.1	22%	0.221	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25	-171.6	-173.6	0	0	0	0	116	S45	S45-T74 WeakPolarHBondContact CA-O 3.45Å; S45-T74 WeakPolarHBondContact CB-O 3.38Å; S45-T74 PolarHBondContact O-OG1 2.92Å
75	N	87.9	Confident	93.7	Very high	126 Å²	126	67 Å²	67	67%	0.674	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	17.8	-179.2	-67.3	-25.6	0	0	0	111.4	S45 T73 Y77	S45-N75 WeakPolarHBondContact CB-OD1 3.23Å; T73-N75 PolarHBondContact O-N 3.36Å; T73-N75 VanDerWaalsContact O-N 3.08Å; N75-Y77 PolarHBondContact O-N 2.99Å
76	E	92	Very high	93.8	Very high	67 Å²	67	65 Å²	65	31%	0.313	32%	0.324	S	S	.	.			trans	-74.6	128.2	178.6	-161.9	173.4	151.2	0	0	110.6	M72 T73 K78 F79 A80	M72-E76 VanDerWaalsContact CA-OE2 3.28Å; M72-E76 WeakPolarHBondContact CA-OE2 3.41Å; M72-E76 HydrophobicContact CB-CB 4.5Å; T73-E76 PolarHBondContact N-OE2 2.93Å; T73-E76 VanDerWaalsContact O-CB 3.31Å; T73-E76 WeakPolarHBondContact O-CB 3.49Å; T73-E76 PolarHBondContact O-N 2.79Å; E76-K78 HydrophobicContact CG-CB 4.13Å; E76-K78 PolarHBondContact O-N 3.17Å; E76-F79 WeakPolarHBondContact O-CB 3.47Å; E76-F79 PolarHBondContact O-N 3.24Å; E76-A80 PolarHBondContact O-N 3.19Å
77	Y	92.3	Very high	93.9	Very high	173 Å²	173	61.1 Å²	61.1	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-56.7	-34.3	179	-176.7	-111.4	0	0	0	112.7	N75 F79 A80 L81	N75-Y77 PolarHBondContact O-N 2.99Å; Y77-F79 VanDerWaalsContact C-N 3.3Å; Y77-F79 PolarHBondContact O-N 3.35Å; Y77-A80 PolarHBondContact O-N 3.45Å; Y77-L81 HydrophobicContact CD1-CD1 3.74Å; Y77-L81 HydrophobicContact CD1-CG 4.06Å; Y77-L81 HydrophobicContact CE1-CD1 3.31Å; Y77-L81 HydrophobicContact CE1-CD2 4.09Å; Y77-L81 HydrophobicContact CE1-CG 3.68Å; Y77-L81 HydrophobicContact CE2-CD2 4.36Å; Y77-L81 HydrophobicContact CE2-CG 4.34Å; Y77-L81 PolarHBondContact O-N 3.37Å
78	K	94.2	Very high	94	Very high	118 Å²	118	60.8 Å²	60.8	51%	0.513	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-36.9	176.5	-168.6	-174.7	178.1	-169.5	0	112.8	M72 E76 T82	M72-K78 HydrophobicContact CE-CD 3.71Å; M72-K78 HydrophobicContact CE-CG 3.84Å; M72-K78 HydrophobicContact CG-CD 4.45Å; M72-K78 HydrophobicContact SD-CB 3.99Å; M72-K78 HydrophobicContact SD-CD 3.95Å; M72-K78 HydrophobicContact SD-CG 3.78Å; E76-K78 HydrophobicContact CG-CB 4.13Å; E76-K78 PolarHBondContact O-N 3.17Å; K78-T82 WeakPolarHBondContact O-CB 3.47Å; K78-T82 PolarHBondContact O-N 2.86Å; K78-T82 VanDerWaalsContact O-N 3.09Å; K78-T82 PolarHBondContact O-OG1 3.22Å
79	F	96.3	Very high	94.2	Very high	2 Å²	2	65 Å²	65	1%	0.009	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-46.5	176.3	179.3	-92.4	0	0	0	110.6	Y44 I47 W48 L51 L68 M72 E76 Y77 L81 T82 V83	Y44-F79 VanDerWaalsContact O-CE1 3.25Å; Y44-F79 WeakPolarHBondContact O-CE1 3.27Å; I47-F79 HydrophobicContact CB-CE1 4.47Å; I47-F79 HydrophobicContact CG2-CE1 4.41Å; I47-F79 HydrophobicContact CG2-CZ 4.14Å; W48-F79 HydrophobicContact CB-CD1 4.18Å; W48-F79 HydrophobicContact CB-CE1 3.68Å; W48-F79 HydrophobicContact CB-CE2 4.37Å; W48-F79 HydrophobicContact CB-CZ 3.77Å; W48-F79 AromaticContact CD1-CD2 3.79Å; W48-F79 AromaticContact CD1-CE2 3.82Å; W48-F79 HydrophobicContact CG-CE1 4.45Å; W48-F79 HydrophobicContact CG-CE2 4.46Å; W48-F79 HydrophobicContact CG-CZ 4.33Å; L51-F79 HydrophobicContact CD1-CE2 4.06Å; L51-F79 HydrophobicContact CD1-CZ 3.96Å; L68-F79 HydrophobicContact CB-CD2 4.21Å; L68-F79 HydrophobicContact CB-CE2 3.98Å; M72-F79 HydrophobicContact CB-CB 4.11Å; M72-F79 VanDerWaalsContact SD-CA 3.52Å; M72-F79 HydrophobicContact SD-CB 3.86Å; M72-F79 HydrophobicContact SD-CD2 4.43Å; M72-F79 PolarHBondContact SD-N 2.92Å; M72-F79 VanDerWaalsContact SD-N 3.44Å; E76-F79 WeakPolarHBondContact O-CB 3.47Å; E76-F79 PolarHBondContact O-N 3.24Å; Y77-F79 VanDerWaalsContact C-N 3.3Å; Y77-F79 PolarHBondContact O-N 3.35Å; F79-L81 PolarHBondContact O-N 3.35Å; F79-T82 WeakPolarHBondContact O-CB 3.37Å; F79-T82 PolarHBondContact O-N 2.87Å; F79-T82 VanDerWaalsContact O-N 3.1Å; F79-V83 HydrophobicContact CD1-CG2 4.19Å; F79-V83 HydrophobicContact CE1-CG2 3.63Å; F79-V83 HydrophobicContact CE2-CG2 4.39Å; F79-V83 HydrophobicContact CZ-CG2 3.76Å; F79-V83 PolarHBondContact O-N 2.91Å
80	A	95.9	Very high	94.4	Very high	17 Å²	17	64.4 Å²	64.4	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-58	-46.8	177.4	0	0	0	0	0	112.1	Y44 E76 Y77 T82 V83 E84	Y44-A80 HydrophobicContact CD1-CB 3.94Å; Y44-A80 HydrophobicContact CD2-CB 3.84Å; Y44-A80 HydrophobicContact CE1-CB 4.36Å; Y44-A80 WeakPolarHBondContact CE1-O 3.45Å; Y44-A80 HydrophobicContact CE2-CB 4.31Å; Y44-A80 HydrophobicContact CG-CB 3.63Å; E76-A80 PolarHBondContact O-N 3.19Å; Y77-A80 PolarHBondContact O-N 3.45Å; A80-T82 VanDerWaalsContact C-N 3.27Å; A80-T82 PolarHBondContact O-N 3.21Å; A80-V83 PolarHBondContact O-N 2.9Å; A80-E84 WeakPolarHBondContact O-CB 3.35Å; A80-E84 PolarHBondContact O-N 3.02Å
81	L	96.2	Very high	94.6	Very high	73 Å²	73	61.8 Å²	61.8	38%	0.382	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-35.1	175.5	-74.3	-176.1	0	0	0	113.2	Y77 F79 S85	Y77-L81 HydrophobicContact CD1-CD1 3.74Å; Y77-L81 HydrophobicContact CD1-CG 4.06Å; Y77-L81 HydrophobicContact CE1-CD1 3.31Å; Y77-L81 HydrophobicContact CE1-CD2 4.09Å; Y77-L81 HydrophobicContact CE1-CG 3.68Å; Y77-L81 HydrophobicContact CE2-CD2 4.36Å; Y77-L81 HydrophobicContact CE2-CG 4.34Å; Y77-L81 PolarHBondContact O-N 3.37Å; F79-L81 PolarHBondContact O-N 3.35Å; L81-S85 WeakPolarHBondContact O-CB 3.27Å; L81-S85 PolarHBondContact O-N 3.29Å
82	T	96.2	Very high	94.9	Very high	41 Å²	41	58.2 Å²	58.2	25%	0.252	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-47.8	178.6	-60.1	0	0	0	0	110.7	L64 L68 K78 F79 A80 S85 V86	L64-T82 HydrophobicContact CD2-CG2 4.5Å; L68-T82 HydrophobicContact CD1-CG2 4.07Å; L68-T82 HydrophobicContact CD2-CG2 4.14Å; K78-T82 WeakPolarHBondContact O-CB 3.47Å; K78-T82 PolarHBondContact O-N 2.86Å; K78-T82 VanDerWaalsContact O-N 3.09Å; K78-T82 PolarHBondContact O-OG1 3.22Å; F79-T82 WeakPolarHBondContact O-CB 3.37Å; F79-T82 PolarHBondContact O-N 2.87Å; F79-T82 VanDerWaalsContact O-N 3.1Å; A80-T82 VanDerWaalsContact C-N 3.27Å; A80-T82 PolarHBondContact O-N 3.21Å; T82-S85 PolarHBondContact O-N 3.45Å; T82-V86 PolarHBondContact O-N 2.93Å
83	V	97	Very high	95.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-45.4	175.7	175.7	0	0	0	0	110.8	F43 Y44 I47 L64 F79 A80 V86 L87 M103	F43-V83 HydrophobicContact CE1-CG1 4.19Å; Y44-V83 HydrophobicContact CD1-CB 3.87Å; Y44-V83 HydrophobicContact CD1-CG1 3.92Å; Y44-V83 HydrophobicContact CE1-CB 4.13Å; Y44-V83 HydrophobicContact CE1-CG1 4.07Å; I47-V83 HydrophobicContact CG2-CG2 4.27Å; L64-V83 HydrophobicContact CD1-CG1 4.2Å; L64-V83 HydrophobicContact CD1-CG2 4.12Å; L64-V83 HydrophobicContact CD2-CG2 4.22Å; F79-V83 HydrophobicContact CD1-CG2 4.19Å; F79-V83 HydrophobicContact CE1-CG2 3.63Å; F79-V83 HydrophobicContact CE2-CG2 4.39Å; F79-V83 HydrophobicContact CZ-CG2 3.76Å; F79-V83 PolarHBondContact O-N 2.91Å; A80-V83 PolarHBondContact O-N 2.9Å; V83-V86 PolarHBondContact O-N 3.36Å; V83-L87 HydrophobicContact CG1-CD1 4.19Å; V83-L87 WeakPolarHBondContact O-CG 3.09Å; V83-L87 PolarHBondContact O-N 3.46Å; V83-M103 HydrophobicContact CG1-CE 4.16Å
84	E	96.8	Very high	95.4	Very high	52 Å²	52	55.5 Å²	55.5	24%	0.243	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-42.8	177.1	-178.6	174.2	144.2	0	0	112.1	N37 Y44 A80 V86 L87 N88	N37-E84 PolarHBondContact ND2-OE1 3.05Å; Y44-E84 HydrophobicContact CE1-CB 4.32Å; Y44-E84 PolarHBondContact OH-OE2 3.33Å; A80-E84 WeakPolarHBondContact O-CB 3.35Å; A80-E84 PolarHBondContact O-N 3.02Å; E84-V86 VanDerWaalsContact C-N 3.3Å; E84-V86 PolarHBondContact O-N 2.82Å; E84-L87 PolarHBondContact O-N 3.4Å; E84-N88 WeakPolarHBondContact CG-ND2 3.5Å; E84-N88 VanDerWaalsContact O-CB 3.32Å; E84-N88 WeakPolarHBondContact O-CB 3.28Å; E84-N88 VanDerWaalsContact O-CG 3.28Å; E84-N88 PolarHBondContact O-N 2.81Å; E84-N88 PolarHBondContact O-ND2 3.44Å
85	S	96.6	Very high	96	Very high	62 Å²	62	53.9 Å²	53.9	43%	0.434	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-40.7	176.2	-178.5	0	0	0	0	111.8	L81 T82 N88 K89	L81-S85 WeakPolarHBondContact O-CB 3.27Å; L81-S85 PolarHBondContact O-N 3.29Å; T82-S85 PolarHBondContact O-N 3.45Å; S85-N88 PolarHBondContact O-N 2.94Å; S85-K89 WeakPolarHBondContact O-CG 3.33Å; S85-K89 PolarHBondContact O-N 3.01Å
86	V	97.6	Very high	96.5	Very high	13 Å²	13	49.3 Å²	49.3	8%	0.079	25%	0.25	C	C	.	.	H	α-helix	trans	-63.3	-47.8	174.5	166.9	0	0	0	0	111.3	I59 Q62 L64 T82 V83 E84 N88 K89	I59-V86 HydrophobicContact CB-CG1 4.22Å; I59-V86 HydrophobicContact CD1-CG1 4.4Å; I59-V86 HydrophobicContact CG2-CG1 4.42Å; Q62-V86 HydrophobicContact CB-CG1 3.74Å; Q62-V86 HydrophobicContact CB-CG2 4.44Å; Q62-V86 HydrophobicContact CG-CG1 4.38Å; L64-V86 HydrophobicContact CD2-CB 4.14Å; L64-V86 HydrophobicContact CD2-CG1 4.43Å; L64-V86 HydrophobicContact CD2-CG2 3.74Å; L64-V86 HydrophobicContact CG-CB 4.47Å; L64-V86 HydrophobicContact CG-CG1 4.24Å; L64-V86 HydrophobicContact CG-CG2 4.37Å; T82-V86 PolarHBondContact O-N 2.93Å; V83-V86 PolarHBondContact O-N 3.36Å; E84-V86 VanDerWaalsContact C-N 3.3Å; E84-V86 PolarHBondContact O-N 2.82Å; V86-N88 VanDerWaalsContact C-N 3.32Å; V86-N88 PolarHBondContact O-N 3.07Å; V86-K89 WeakPolarHBondContact O-CB 3.47Å; V86-K89 PolarHBondContact O-N 3.19Å
87	L	97.7	Very high	96.7	Very high	7 Å²	7	47 Å²	47	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-39.6	177	-71.6	170.3	0	0	0	112.1	F43 I59 V83 E84 K89 I90 R96 I99 V100 M103	F43-L87 HydrophobicContact CE1-CD1 4.14Å; F43-L87 HydrophobicContact CZ-CD1 4.41Å; I59-L87 HydrophobicContact CG2-CD2 4.28Å; V83-L87 HydrophobicContact CG1-CD1 4.19Å; V83-L87 WeakPolarHBondContact O-CG 3.09Å; V83-L87 PolarHBondContact O-N 3.46Å; E84-L87 PolarHBondContact O-N 3.4Å; L87-K89 PolarHBondContact O-N 3.2Å; L87-I90 WeakPolarHBondContact O-CB 3.32Å; L87-I90 PolarHBondContact O-N 3.25Å; L87-R96 HydrophobicContact CB-CG 4.08Å; L87-R96 HydrophobicContact CD2-CG 4.34Å; L87-R96 VanDerWaalsContact O-CD 3.28Å; L87-R96 WeakPolarHBondContact O-CD 3.42Å; L87-R96 WeakPolarHBondContact O-CG 3.48Å; L87-R96 PolarHBondContact O-NE 3.44Å; L87-I99 HydrophobicContact CD2-CG2 3.7Å; L87-V100 HydrophobicContact CD1-CG2 4.18Å; L87-V100 HydrophobicContact CD2-CG2 4.41Å; L87-M103 HydrophobicContact CD2-SD 4.04Å
88	N	96.9	Very high	97	Very high	62 Å²	62	38.8 Å²	38.8	33%	0.332	21%	0.207	S	C	.	.	H	α-helix	trans	-67.9	-16	179.9	-77.4	-25.5	0	0	0	114	N37 E84 S85 V86 I90 R96	N37-N88 PolarHBondContact ND2-ND2 3.41Å; N37-N88 PolarHBondContact OD1-OD1 3.44Å; E84-N88 WeakPolarHBondContact CG-ND2 3.5Å; E84-N88 VanDerWaalsContact O-CB 3.32Å; E84-N88 WeakPolarHBondContact O-CB 3.28Å; E84-N88 VanDerWaalsContact O-CG 3.28Å; E84-N88 PolarHBondContact O-N 2.81Å; E84-N88 PolarHBondContact O-ND2 3.44Å; S85-N88 PolarHBondContact O-N 2.94Å; V86-N88 VanDerWaalsContact C-N 3.32Å; V86-N88 PolarHBondContact O-N 3.07Å; N88-I90 PolarHBondContact O-N 3.24Å; N88-R96 PolarHBondContact OD1-NH1 3.23Å
89	K	97.4	Very high	97.2	Very high	118 Å²	118	33.2 Å²	33.2	51%	0.513	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.2	171.2	-71.4	171.8	179.9	179.5	0	113	Q62 S85 V86 L87 P91	Q62-K89 HydrophobicContact CG-CB 4.42Å; Q62-K89 HydrophobicContact CG-CD 3.7Å; S85-K89 WeakPolarHBondContact O-CG 3.33Å; S85-K89 PolarHBondContact O-N 3.01Å; V86-K89 WeakPolarHBondContact O-CB 3.47Å; V86-K89 PolarHBondContact O-N 3.19Å; L87-K89 PolarHBondContact O-N 3.2Å; K89-P91 VanDerWaalsContact O-CD 3.23Å; K89-P91 WeakPolarHBondContact O-CD 3.48Å
90	I	97.6	Very high	97.3	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.183	C	C	.	.			trans	-76.1	114.6	171.5	-62.2	171.6	0	0	0	108.6	I59 L87 N88 Y95 R96 I99 Y164	I59-I90 HydrophobicContact CG2-CD1 3.71Å; L87-I90 WeakPolarHBondContact O-CB 3.32Å; L87-I90 PolarHBondContact O-N 3.25Å; N88-I90 PolarHBondContact O-N 3.24Å; I90-Y95 HydrophobicContact CD1-CD1 4.42Å; I90-Y95 HydrophobicContact CG2-CD1 3.7Å; I90-Y95 HydrophobicContact CG2-CG 4.49Å; I90-R96 HydrophobicContact CB-CB 4.17Å; I90-R96 HydrophobicContact CB-CG 4.42Å; I90-R96 HydrophobicContact CD1-CB 4.37Å; I90-R96 HydrophobicContact CD1-CG 4.32Å; I90-R96 HydrophobicContact CG2-CB 4Å; I90-R96 PolarHBondContact O-NE 3.45Å; I90-R96 PolarHBondContact O-NH2 3.43Å; I90-I99 HydrophobicContact CD1-CB 4.32Å; I90-I99 HydrophobicContact CD1-CG1 3.89Å; I90-I99 HydrophobicContact CD1-CG2 4.44Å; I90-Y164 HydrophobicContact CG2-CE2 4.38Å
91	P	96.1	Very high	97.4	Very high	92 Å²	92	33.3 Å²	33.3	60%	0.597	18%	0.18	S	C	*	.	S	Bend	trans	-63.4	-43	-179	22.1	-35.4	0	0	0	114.2	K89 P93 Y164	K89-P91 VanDerWaalsContact O-CD 3.23Å; K89-P91 WeakPolarHBondContact O-CD 3.48Å; P91-P93 WeakPolarHBondContact O-CD 3.18Å; P91-Y164 VanDerWaalsContact CD-OH 3.23Å; P91-Y164 WeakPolarHBondContact CD-OH 3.46Å; P91-Y164 WeakPolarHBondContact CG-OH 3.22Å
92	D	97.6	Very high	97.5	Very high	56 Å²	56	29.9 Å²	29.9	30%	0.299	16%	0.162	S	C	.	.			trans	-86.4	115.6	-174.1	-57.3	-88	0	0	0	111.8	E94 Y95 R96 A163 Y164	D92-E94 VanDerWaalsContact C-N 3.34Å; D92-E94 PolarHBondContact O-N 2.72Å; D92-Y95 PolarHBondContact O-N 3.43Å; D92-Y95 VanDerWaalsContact O-N 3.1Å; D92-R96 PolarHBondContact O-N 3Å; D92-A163 HydrophobicContact CB-CB 3.8Å; D92-A163 VanDerWaalsContact CG-CB 3.47Å; D92-Y164 HydrophobicContact CB-CE2 3.97Å; D92-Y164 WeakPolarHBondContact OD2-CE2 3.49Å
93	P	97.6	Very high	97.6	Very high	33 Å²	33	28 Å²	28	21%	0.214	15%	0.15	C	C	.	.	H	α-helix	trans	-66.7	-32.5	-173.9	24.6	-32.4	0	0	0	113.1	R31 S34 P91 Y95 R96 Q97	R31-P93 HydrophobicContact CB-CG 4.38Å; R31-P93 HydrophobicContact CG-CG 4.16Å; S34-P93 WeakPolarHBondContact CB-O 3.24Å; S34-P93 VanDerWaalsContact OG-CA 3.27Å; S34-P93 WeakPolarHBondContact OG-CA 3.44Å; S34-P93 WeakPolarHBondContact OG-CB 3.37Å; S34-P93 PolarHBondContact OG-O 3.49Å; P91-P93 WeakPolarHBondContact O-CD 3.18Å; P93-Y95 VanDerWaalsContact C-N 3.3Å; P93-Y95 PolarHBondContact O-N 3.31Å; P93-R96 PolarHBondContact O-N 2.93Å; P93-Q97 PolarHBondContact O-N 3.1Å
94	E	97.5	Very high	97.6	Very high	13 Å²	13	29.4 Å²	29.4	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-37	172.4	56.1	-96.7	-132.7	0	0	113.1	L27 R31 D92 L98 Y171	L27-E94 HydrophobicContact CD1-CB 3.69Å; L27-E94 HydrophobicContact CD1-CG 4.17Å; R31-E94 HydrophobicContact CG-CB 4.22Å; R31-E94 WeakPolarHBondContact CG-OE2 3.35Å; R31-E94 IonicContact CZ-OE1 3.68Å; R31-E94 IonicContact CZ-OE2 3.07Å; R31-E94 IonicContact NE-OE1 2.98Å; R31-E94 PolarHBondContact NE-OE1 3.09Å; R31-E94 IonicContact NE-OE2 2.97Å; R31-E94 PolarHBondContact NE-OE2 2.81Å; R31-E94 IonicContact NH2-OE1 2.57Å; R31-E94 PolarHBondContact NH2-OE1 3.46Å; R31-E94 IonicContact NH2-OE2 2.79Å; D92-E94 VanDerWaalsContact C-N 3.34Å; D92-E94 PolarHBondContact O-N 2.72Å; E94-L98 PolarHBondContact O-N 2.87Å; E94-Y171 HydrophobicContact CB-CD1 3.72Å; E94-Y171 HydrophobicContact CB-CE1 3.93Å; E94-Y171 HydrophobicContact CB-CG 4.24Å; E94-Y171 HydrophobicContact CG-CD1 3.92Å; E94-Y171 HydrophobicContact CG-CD2 4.4Å; E94-Y171 HydrophobicContact CG-CE1 3.76Å; E94-Y171 HydrophobicContact CG-CE2 4.26Å; E94-Y171 HydrophobicContact CG-CG 4.24Å
95	Y	98.3	Very high	97.6	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-73.9	-43.5	177.9	-172	-105.6	0	0	0	110.7	I90 D92 P93 Q97 L98 I99 D126 V129 Y164 I166 Y171	I90-Y95 HydrophobicContact CD1-CD1 4.42Å; I90-Y95 HydrophobicContact CG2-CD1 3.7Å; I90-Y95 HydrophobicContact CG2-CG 4.49Å; D92-Y95 PolarHBondContact O-N 3.43Å; D92-Y95 VanDerWaalsContact O-N 3.1Å; P93-Y95 VanDerWaalsContact C-N 3.3Å; P93-Y95 PolarHBondContact O-N 3.31Å; Y95-Q97 PolarHBondContact O-N 3.29Å; Y95-L98 PolarHBondContact O-N 3.32Å; Y95-I99 HydrophobicContact CD1-CG1 4.21Å; Y95-I99 HydrophobicContact CE1-CD1 4.07Å; Y95-I99 HydrophobicContact CE1-CG1 3.95Å; Y95-I99 WeakPolarHBondContact O-CG1 3.4Å; Y95-I99 PolarHBondContact O-N 3.44Å; Y95-D126 WeakPolarHBondContact CE1-OD1 3.38Å; Y95-D126 WeakPolarHBondContact OH-CA 3.47Å; Y95-D126 WeakPolarHBondContact OH-CB 3.15Å; Y95-D126 PolarHBondContact OH-OD1 3.43Å; Y95-V129 HydrophobicContact CD2-CG1 4.4Å; Y95-V129 HydrophobicContact CE2-CB 4.28Å; Y95-V129 HydrophobicContact CE2-CG1 3.82Å; Y95-Y164 HydrophobicContact CD1-CD1 4.21Å; Y95-Y164 AromaticContact CD1-CD2 3.56Å; Y95-Y164 HydrophobicContact CD1-CD2 3.56Å; Y95-Y164 HydrophobicContact CD1-CE1 4.17Å; Y95-Y164 AromaticContact CD1-CE2 3.52Å; Y95-Y164 HydrophobicContact CD1-CE2 3.52Å; Y95-Y164 AromaticContact CD1-CG 3.92Å; Y95-Y164 HydrophobicContact CD1-CG 3.92Å; Y95-Y164 AromaticContact CD1-CZ 3.83Å; Y95-Y164 AromaticContact CD2-CD2 3.61Å; Y95-Y164 HydrophobicContact CD2-CD2 3.61Å; Y95-Y164 HydrophobicContact CD2-CE2 4.38Å; Y95-Y164 AromaticContact CD2-CG 3.77Å; Y95-Y164 HydrophobicContact CD2-CG 3.77Å; Y95-Y164 AromaticContact CE1-CD1 3.96Å; Y95-Y164 HydrophobicContact CE1-CD1 3.96Å; Y95-Y164 HydrophobicContact CE1-CD2 4.12Å; Y95-Y164 HydrophobicContact CE1-CE1 4.07Å; Y95-Y164 HydrophobicContact CE1-CE2 4.22Å; Y95-Y164 AromaticContact CE1-CG 3.99Å; Y95-Y164 HydrophobicContact CE1-CG 3.99Å; Y95-Y164 HydrophobicContact CE2-CD1 4.4Å; Y95-Y164 HydrophobicContact CE2-CD2 4.14Å; Y95-Y164 AromaticContact CE2-CG 3.82Å; Y95-Y164 HydrophobicContact CE2-CG 3.82Å; Y95-Y164 AromaticContact CG-CD2 3.27Å; Y95-Y164 HydrophobicContact CG-CD2 3.27Å; Y95-Y164 AromaticContact CG-CE2 3.61Å; Y95-Y164 HydrophobicContact CG-CE2 3.61Å; Y95-Y164 AromaticContact CG-CG 3.81Å; Y95-Y164 HydrophobicContact CG-CG 3.81Å; Y95-Y164 AromaticContact CZ-CG 3.93Å; Y95-I166 HydrophobicContact CD2-CG1 4.28Å; Y95-I166 HydrophobicContact CE2-CG1 4.17Å; Y95-Y171 HydrophobicContact CD2-CE1 4.48Å; Y95-Y171 WeakPolarHBondContact CD2-OH 3.45Å
96	R	98	Very high	97.5	Very high	30 Å²	30	24.5 Å²	24.5	11%	0.113	13%	0.129	C	C	.	.	H	α-helix	trans	-54.1	-41.1	173	-168.9	-172.9	-51.7	148.4	5.1	111.4	S34 L87 N88 I90 D92 P93 I99 V100	S34-R96 PolarHBondContact O-NH1 3.46Å; S34-R96 VanDerWaalsContact O-NH1 3.12Å; S34-R96 WeakPolarHBondContact OG-CB 3.49Å; S34-R96 VanDerWaalsContact OG-CD 3.27Å; S34-R96 WeakPolarHBondContact OG-CD 3.46Å; S34-R96 PolarHBondContact OG-NH1 3.11Å; L87-R96 HydrophobicContact CB-CG 4.08Å; L87-R96 HydrophobicContact CD2-CG 4.34Å; L87-R96 VanDerWaalsContact O-CD 3.28Å; L87-R96 WeakPolarHBondContact O-CD 3.42Å; L87-R96 WeakPolarHBondContact O-CG 3.48Å; L87-R96 PolarHBondContact O-NE 3.44Å; N88-R96 PolarHBondContact OD1-NH1 3.23Å; I90-R96 HydrophobicContact CB-CB 4.17Å; I90-R96 HydrophobicContact CB-CG 4.42Å; I90-R96 HydrophobicContact CD1-CB 4.37Å; I90-R96 HydrophobicContact CD1-CG 4.32Å; I90-R96 HydrophobicContact CG2-CB 4Å; I90-R96 PolarHBondContact O-NE 3.45Å; I90-R96 PolarHBondContact O-NH2 3.43Å; D92-R96 PolarHBondContact O-N 3Å; P93-R96 PolarHBondContact O-N 2.93Å; R96-I99 WeakPolarHBondContact O-CB 3.4Å; R96-I99 PolarHBondContact O-N 3.09Å; R96-V100 WeakPolarHBondContact O-CG2 3.06Å; R96-V100 PolarHBondContact O-N 3Å
97	Q	97.9	Very high	97.3	Very high	19 Å²	19	24 Å²	24	9%	0.089	13%	0.125	C	C	.	.	H	α-helix	trans	-69.8	-36.4	177.6	-166	63.8	6.8	0	0	113.2	R30 D33 P93 Y95 I99 V100 E101	R30-Q97 HydrophobicContact CB-CB 3.85Å; R30-Q97 HydrophobicContact CB-CG 3.88Å; R30-Q97 HydrophobicContact CG-CB 4.09Å; R30-Q97 HydrophobicContact CG-CG 3.74Å; D33-Q97 HydrophobicContact CB-CG 4.46Å; P93-Q97 PolarHBondContact O-N 3.1Å; Y95-Q97 PolarHBondContact O-N 3.29Å; Q97-I99 VanDerWaalsContact C-N 3.28Å; Q97-I99 PolarHBondContact O-N 3.12Å; Q97-V100 WeakPolarHBondContact O-CB 3.44Å; Q97-V100 PolarHBondContact O-N 3.34Å; Q97-E101 WeakPolarHBondContact O-CG 2.91Å; Q97-E101 PolarHBondContact O-N 3.42Å
98	L	98.3	Very high	97.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-37.4	171.5	-71.8	-171.3	0	0	0	111.9	E94 Y95 V100 E101 V102 V129 I166 F170 Y171 T181	E94-L98 PolarHBondContact O-N 2.87Å; Y95-L98 PolarHBondContact O-N 3.32Å; L98-V100 VanDerWaalsContact C-N 3.35Å; L98-E101 WeakPolarHBondContact O-CB 3.48Å; L98-E101 PolarHBondContact O-N 2.89Å; L98-V102 WeakPolarHBondContact O-CG2 3.21Å; L98-V102 PolarHBondContact O-N 3.17Å; L98-V129 HydrophobicContact CB-CG1 4.33Å; L98-V129 HydrophobicContact CB-CG2 4.3Å; L98-V129 HydrophobicContact CD1-CG1 3.86Å; L98-I166 HydrophobicContact CD1-CG2 4.09Å; L98-F170 HydrophobicContact CD1-CD1 4Å; L98-F170 HydrophobicContact CD1-CE1 4.03Å; L98-Y171 HydrophobicContact CD1-CD1 3.47Å; L98-Y171 VanDerWaalsContact CD1-CD1 3.47Å; L98-Y171 HydrophobicContact CD1-CE1 3.35Å; L98-Y171 HydrophobicContact CG-CD1 3.9Å; L98-Y171 HydrophobicContact CG-CE1 3.93Å; L98-T181 HydrophobicContact CD2-CG2 3.95Å
99	I	98.4	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.7	-43.5	172.9	-66.8	-64.1	0	0	0	110.9	I59 L87 I90 Y95 R96 Q97 E101 V102 M103 A125 V129	I59-I99 HydrophobicContact CB-CG2 4.49Å; I59-I99 HydrophobicContact CD1-CG2 4.29Å; I59-I99 HydrophobicContact CG1-CG2 4.28Å; I59-I99 HydrophobicContact CG2-CG1 4.49Å; I59-I99 HydrophobicContact CG2-CG2 3.54Å; L87-I99 HydrophobicContact CD2-CG2 3.7Å; I90-I99 HydrophobicContact CD1-CB 4.32Å; I90-I99 HydrophobicContact CD1-CG1 3.89Å; I90-I99 HydrophobicContact CD1-CG2 4.44Å; Y95-I99 HydrophobicContact CD1-CG1 4.21Å; Y95-I99 HydrophobicContact CE1-CD1 4.07Å; Y95-I99 HydrophobicContact CE1-CG1 3.95Å; Y95-I99 WeakPolarHBondContact O-CG1 3.4Å; Y95-I99 PolarHBondContact O-N 3.44Å; R96-I99 WeakPolarHBondContact O-CB 3.4Å; R96-I99 PolarHBondContact O-N 3.09Å; Q97-I99 VanDerWaalsContact C-N 3.28Å; Q97-I99 PolarHBondContact O-N 3.12Å; I99-E101 VanDerWaalsContact C-N 3.27Å; I99-E101 PolarHBondContact O-N 2.92Å; I99-V102 PolarHBondContact O-N 2.91Å; I99-M103 HydrophobicContact CG2-CG 4.41Å; I99-M103 HydrophobicContact CG2-SD 3.93Å; I99-M103 WeakPolarHBondContact O-CB 3.32Å; I99-M103 VanDerWaalsContact O-CG 3.29Å; I99-M103 WeakPolarHBondContact O-CG 3.22Å; I99-M103 PolarHBondContact O-N 2.94Å; I99-A125 HydrophobicContact CD1-CB 3.94Å; I99-V129 HydrophobicContact CD1-CG2 3.91Å
100	V	98.2	Very high	96.5	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.036	12%	0.121	C	C	.	.	H	α-helix	trans	-57.9	-42	173.9	171.5	0	0	0	0	110.7	V39 F43 L87 R96 Q97 L98 M103 M104	V39-V100 HydrophobicContact CG1-CG1 4.12Å; V39-V100 HydrophobicContact CG1-CG2 4.22Å; F43-V100 HydrophobicContact CE2-CG1 3.97Å; F43-V100 HydrophobicContact CZ-CG1 4.26Å; F43-V100 HydrophobicContact CZ-CG2 4.39Å; L87-V100 HydrophobicContact CD1-CG2 4.18Å; L87-V100 HydrophobicContact CD2-CG2 4.41Å; R96-V100 WeakPolarHBondContact O-CG2 3.06Å; R96-V100 PolarHBondContact O-N 3Å; Q97-V100 WeakPolarHBondContact O-CB 3.44Å; Q97-V100 PolarHBondContact O-N 3.34Å; L98-V100 VanDerWaalsContact C-N 3.35Å; V100-M103 WeakPolarHBondContact O-CB 3.26Å; V100-M103 PolarHBondContact O-N 2.86Å; V100-M104 VanDerWaalsContact O-CG 3.27Å; V100-M104 WeakPolarHBondContact O-CG 3.47Å; V100-M104 PolarHBondContact O-N 2.87Å
101	E	98.2	Very high	96.1	Very high	16 Å²	16	25.9 Å²	25.9	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-41.6	175.7	-67.9	178.5	-149.3	0	0	112.6	R30 Q97 L98 I99 M104 V105 T181 I185	R30-E101 IonicContact CZ-OE1 2.66Å; R30-E101 VanDerWaalsContact CZ-OE1 3.29Å; R30-E101 IonicContact NE-OE1 3.79Å; R30-E101 PolarHBondContact NE-OE1 2.97Å; R30-E101 IonicContact NH2-OE1 3.6Å; R30-E101 PolarHBondContact NH2-OE1 3.45Å; R30-E101 IonicContact NH2-OE2 2.94Å; Q97-E101 WeakPolarHBondContact O-CG 2.91Å; Q97-E101 PolarHBondContact O-N 3.42Å; L98-E101 WeakPolarHBondContact O-CB 3.48Å; L98-E101 PolarHBondContact O-N 2.89Å; I99-E101 VanDerWaalsContact C-N 3.27Å; I99-E101 PolarHBondContact O-N 2.92Å; E101-M104 WeakPolarHBondContact O-CB 3.45Å; E101-M104 PolarHBondContact O-N 2.49Å; E101-V105 WeakPolarHBondContact O-CG2 3.37Å; E101-V105 PolarHBondContact O-N 2.93Å; E101-T181 VanDerWaalsContact OE2-CB 3.26Å; E101-T181 WeakPolarHBondContact OE2-CB 3.29Å; E101-T181 PolarHBondContact OE2-OG1 3.04Å; E101-I185 HydrophobicContact CB-CD1 3.77Å
102	V	98.1	Very high	95.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-60.2	-46.9	173.6	170.8	0	0	0	0	111	L98 I99 M104 V105 L106 A125 V128 V129 I185	L98-V102 WeakPolarHBondContact O-CG2 3.21Å; L98-V102 PolarHBondContact O-N 3.17Å; I99-V102 PolarHBondContact O-N 2.91Å; V102-M104 VanDerWaalsContact C-N 3.26Å; V102-M104 PolarHBondContact O-N 2.73Å; V102-V105 PolarHBondContact O-N 2.8Å; V102-V105 VanDerWaalsContact O-N 3.11Å; V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 HydrophobicContact CG1-CG 4.42Å; V102-L106 WeakPolarHBondContact O-CG 3.41Å; V102-L106 PolarHBondContact O-N 2.66Å; V102-A125 HydrophobicContact CG1-CB 3.95Å; V102-V128 HydrophobicContact CG1-CB 3.95Å; V102-V128 HydrophobicContact CG1-CG1 3.97Å; V102-V128 HydrophobicContact CG1-CG2 4.3Å; V102-V128 HydrophobicContact CG2-CB 4.29Å; V102-V128 HydrophobicContact CG2-CG1 3.98Å; V102-V129 HydrophobicContact CG2-CG2 3.55Å; V102-I185 HydrophobicContact CB-CG2 4.45Å; V102-I185 HydrophobicContact CG2-CD1 3.9Å; V102-I185 HydrophobicContact CG2-CG1 3.98Å; V102-I185 HydrophobicContact CG2-CG2 3.92Å
103	M	97.7	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-40.9	176.5	-75.4	175.9	78.3	0	0	111.6	F43 I47 L57 I59 L64 V83 L87 I99 V100 L106 I107	F43-M103 HydrophobicContact CE1-CE 4.25Å; F43-M103 HydrophobicContact CE2-CB 4.01Å; F43-M103 HydrophobicContact CE2-CE 4.49Å; F43-M103 HydrophobicContact CZ-CB 4.18Å; F43-M103 HydrophobicContact CZ-CE 3.67Å; F43-M103 HydrophobicContact CZ-SD 3.94Å; I47-M103 HydrophobicContact CD1-CB 3.95Å; I47-M103 HydrophobicContact CD1-CE 3.38Å; I47-M103 HydrophobicContact CD1-CG 4.34Å; I47-M103 HydrophobicContact CG1-CE 3.64Å; I47-M103 HydrophobicContact CG2-CE 4.12Å; L57-M103 HydrophobicContact CD2-CE 3.86Å; L57-M103 HydrophobicContact CD2-CG 3.69Å; L57-M103 HydrophobicContact CD2-SD 4.11Å; I59-M103 HydrophobicContact CD1-CE 4.02Å; I59-M103 HydrophobicContact CD1-SD 3.61Å; L64-M103 HydrophobicContact CD1-CE 4.36Å; V83-M103 HydrophobicContact CG1-CE 4.16Å; L87-M103 HydrophobicContact CD2-SD 4.04Å; I99-M103 HydrophobicContact CG2-CG 4.41Å; I99-M103 HydrophobicContact CG2-SD 3.93Å; I99-M103 WeakPolarHBondContact O-CB 3.32Å; I99-M103 VanDerWaalsContact O-CG 3.29Å; I99-M103 WeakPolarHBondContact O-CG 3.22Å; I99-M103 PolarHBondContact O-N 2.94Å; V100-M103 WeakPolarHBondContact O-CB 3.26Å; V100-M103 PolarHBondContact O-N 2.86Å; M103-L106 PolarHBondContact O-N 3.19Å; M103-I107 WeakPolarHBondContact O-CD1 3.48Å; M103-I107 VanDerWaalsContact O-CG1 3.24Å; M103-I107 WeakPolarHBondContact O-CG1 3.32Å; M103-I107 PolarHBondContact O-N 3.06Å
104	M	97.1	Very high	93.1	Very high	30 Å²	30	31.7 Å²	31.7	15%	0.148	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-41	174.7	-72.9	-59.2	-59.5	0	0	112.7	P40 F43 V100 E101 V102 I107 L108	P40-M104 HydrophobicContact CB-CE 3.96Å; P40-M104 HydrophobicContact CB-SD 4.06Å; P40-M104 HydrophobicContact CG-CE 3.9Å; P40-M104 HydrophobicContact CG-CG 4.03Å; P40-M104 HydrophobicContact CG-SD 3.72Å; F43-M104 HydrophobicContact CD2-CG 4.39Å; F43-M104 HydrophobicContact CD2-SD 3.62Å; F43-M104 HydrophobicContact CE2-CG 4.35Å; F43-M104 HydrophobicContact CE2-SD 4.1Å; V100-M104 VanDerWaalsContact O-CG 3.27Å; V100-M104 WeakPolarHBondContact O-CG 3.47Å; V100-M104 PolarHBondContact O-N 2.87Å; E101-M104 WeakPolarHBondContact O-CB 3.45Å; E101-M104 PolarHBondContact O-N 2.49Å; V102-M104 VanDerWaalsContact C-N 3.26Å; V102-M104 PolarHBondContact O-N 2.73Å; M104-I107 PolarHBondContact O-N 2.97Å; M104-I107 HydrophobicContact SD-CD1 4Å; M104-L108 VanDerWaalsContact O-CG 3.3Å; M104-L108 WeakPolarHBondContact O-CG 3.33Å; M104-L108 PolarHBondContact O-N 3.08Å
105	V	95.9	Very high	91.7	Very high	9 Å²	9	39.1 Å²	39.1	6%	0.055	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-42.4	175.3	172.6	0	0	0	0	111.3	E101 V102 I107 L108 L109 I182 I185 L189	E101-V105 WeakPolarHBondContact O-CG2 3.37Å; E101-V105 PolarHBondContact O-N 2.93Å; V102-V105 PolarHBondContact O-N 2.8Å; V102-V105 VanDerWaalsContact O-N 3.11Å; V105-I107 PolarHBondContact O-N 2.83Å; V105-L108 PolarHBondContact O-N 3.36Å; V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 PolarHBondContact O-N 3.34Å; V105-I182 HydrophobicContact CG2-CG2 3.86Å; V105-I185 HydrophobicContact CB-CG2 3.81Å; V105-I185 HydrophobicContact CG1-CG2 4.02Å; V105-I185 HydrophobicContact CG2-CB 4.38Å; V105-I185 HydrophobicContact CG2-CG2 3.66Å; V105-L189 HydrophobicContact CG1-CD2 4.18Å
106	L	95	Very high	90.3	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-41.8	176.3	-69.5	172	0	0	0	112	L50 L57 V102 M103 L109 N110 L118 V123 L189	L50-L106 HydrophobicContact CD1-CB 4.18Å; L50-L106 WeakPolarHBondContact CD1-O 3.45Å; L50-L106 HydrophobicContact CD2-CB 3.89Å; L57-L106 HydrophobicContact CD1-CD1 3.62Å; V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 HydrophobicContact CG1-CG 4.42Å; V102-L106 WeakPolarHBondContact O-CG 3.41Å; V102-L106 PolarHBondContact O-N 2.66Å; M103-L106 PolarHBondContact O-N 3.19Å; L106-L109 PolarHBondContact O-N 3.46Å; L106-N110 WeakPolarHBondContact O-CB 3.31Å; L106-N110 PolarHBondContact O-N 2.91Å; L106-L118 HydrophobicContact CD2-CD1 3.74Å; L106-V123 HydrophobicContact CD1-CG1 3.84Å; L106-V123 HydrophobicContact CD2-CG1 3.97Å; L106-L189 HydrophobicContact CD2-CD1 3.82Å; L106-L189 HydrophobicContact CD2-CD2 3.93Å
107	I	94.9	Very high	88.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-52.7	173	-71.6	162.6	0	0	0	110.5	F43 R46 I47 L50 M103 M104 V105 L109 N110 E111	F43-I107 HydrophobicContact CD2-CD1 4.36Å; R46-I107 HydrophobicContact CB-CD1 3.77Å; R46-I107 HydrophobicContact CB-CG1 4.08Å; R46-I107 HydrophobicContact CB-CG2 3.71Å; R46-I107 HydrophobicContact CG-CG2 4.3Å; I47-I107 HydrophobicContact CD1-CD1 3.44Å; I47-I107 VanDerWaalsContact CD1-CD1 3.44Å; I47-I107 HydrophobicContact CD1-CG1 3.77Å; I47-I107 HydrophobicContact CG1-CD1 3.97Å; L50-I107 HydrophobicContact CD2-CG1 4.29Å; M103-I107 WeakPolarHBondContact O-CD1 3.48Å; M103-I107 VanDerWaalsContact O-CG1 3.24Å; M103-I107 WeakPolarHBondContact O-CG1 3.32Å; M103-I107 PolarHBondContact O-N 3.06Å; M104-I107 PolarHBondContact O-N 2.97Å; M104-I107 HydrophobicContact SD-CD1 4Å; V105-I107 PolarHBondContact O-N 2.83Å; I107-L109 VanDerWaalsContact C-N 3.26Å; I107-L109 PolarHBondContact O-N 2.84Å; I107-N110 PolarHBondContact O-N 3.3Å; I107-N110 VanDerWaalsContact O-N 3.11Å; I107-E111 HydrophobicContact CG2-CG 4.39Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.38Å; I107-E111 WeakPolarHBondContact O-CG 3.47Å; I107-E111 PolarHBondContact O-N 3.38Å
108	L	93.6	Very high	87.7	Confident	94 Å²	94	41.9 Å²	41.9	49%	0.492	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-38.1	-178.4	-71.8	170.8	0	0	0	111.4	M104 V105 E111 S112	M104-L108 VanDerWaalsContact O-CG 3.3Å; M104-L108 WeakPolarHBondContact O-CG 3.33Å; M104-L108 PolarHBondContact O-N 3.08Å; V105-L108 PolarHBondContact O-N 3.36Å; L108-E111 PolarHBondContact O-N 2.89Å; L108-S112 VanDerWaalsContact O-CB 3.29Å; L108-S112 WeakPolarHBondContact O-CB 3.38Å; L108-S112 PolarHBondContact O-N 3.43Å
109	L	91	Very high	86.7	Confident	26 Å²	26	42.3 Å²	42.3	14%	0.136	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-43.3	174.8	-177.3	66.8	0	0	0	111.6	V105 L106 I107 E111 S112 L116 L118 L189	V105-L109 WeakPolarHBondContact O-CB 3.43Å; V105-L109 PolarHBondContact O-N 3.34Å; L106-L109 PolarHBondContact O-N 3.46Å; I107-L109 VanDerWaalsContact C-N 3.26Å; I107-L109 PolarHBondContact O-N 2.84Å; L109-E111 VanDerWaalsContact C-N 3.32Å; L109-E111 PolarHBondContact O-N 3.44Å; L109-S112 WeakPolarHBondContact O-CB 3.32Å; L109-S112 PolarHBondContact O-N 3.1Å; L109-S112 PolarHBondContact O-OG 3.36Å; L109-L116 HydrophobicContact CD1-CB 4.21Å; L109-L116 HydrophobicContact CD1-CD2 3.71Å; L109-L116 HydrophobicContact CD1-CG 4.5Å; L109-L116 HydrophobicContact CD2-CD2 4.11Å; L109-L118 HydrophobicContact CD2-CD1 3.54Å; L109-L118 HydrophobicContact CD2-CD2 4.25Å; L109-L118 HydrophobicContact CD2-CG 3.77Å; L109-L189 HydrophobicContact CD2-CD2 3.73Å
110	N	89.2	Confident	85.8	Confident	30 Å²	30	46.5 Å²	46.5	16%	0.16	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-35.8	178.4	177.7	65.4	0	0	0	112.9	L50 R53 L106 I107	L50-N110 HydrophobicContact CD1-CB 3.52Å; R53-N110 WeakPolarHBondContact CD-OD1 3.37Å; R53-N110 PolarHBondContact NH1-OD1 3.34Å; L106-N110 WeakPolarHBondContact O-CB 3.31Å; L106-N110 PolarHBondContact O-N 2.91Å; I107-N110 PolarHBondContact O-N 3.3Å; I107-N110 VanDerWaalsContact O-N 3.11Å
111	E	90.1	Very high	85.4	Confident	82 Å²	82	47 Å²	47	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-79.1	-23.1	175.8	-69.5	171.6	178.9	0	0	112.5	R46 I107 L108 L109 H113	R46-E111 IonicContact CZ-OE1 3.74Å; R46-E111 IonicContact CZ-OE2 3.72Å; R46-E111 IonicContact NE-OE1 3.51Å; R46-E111 PolarHBondContact NE-OE1 3.36Å; R46-E111 IonicContact NE-OE2 2.88Å; R46-E111 PolarHBondContact NE-OE2 2.99Å; R46-E111 IonicContact NH2-OE1 3.44Å; R46-E111 PolarHBondContact NH2-OE1 2.97Å; R46-E111 IonicContact NH2-OE2 2.72Å; R46-E111 PolarHBondContact NH2-OE2 3.25Å; I107-E111 HydrophobicContact CG2-CG 4.39Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.38Å; I107-E111 WeakPolarHBondContact O-CG 3.47Å; I107-E111 PolarHBondContact O-N 3.38Å; L108-E111 PolarHBondContact O-N 2.89Å; L109-E111 VanDerWaalsContact C-N 3.32Å; L109-E111 PolarHBondContact O-N 3.44Å; E111-H113 PolarHBondContact O-N 3.44Å
112	S	86.6	Confident	85.1	Confident	38 Å²	38	49.4 Å²	49.4	27%	0.266	27%	0.269	S	S	.	.	S	Bend	trans	-66.6	132.6	172.7	79.2	0	0	0	0	109.5	L108 L109 T114	L108-S112 VanDerWaalsContact O-CB 3.29Å; L108-S112 WeakPolarHBondContact O-CB 3.38Å; L108-S112 PolarHBondContact O-N 3.43Å; L109-S112 WeakPolarHBondContact O-CB 3.32Å; L109-S112 PolarHBondContact O-N 3.1Å; L109-S112 PolarHBondContact O-OG 3.36Å; S112-T114 PolarHBondContact O-N 3.01Å; S112-T114 WeakPolarHBondContact OG-CB 3.46Å; S112-T114 WeakPolarHBondContact OG-CG2 3.48Å; S112-T114 PolarHBondContact OG-OG1 3.17Å
113	H	71.6	Confident	84.9	Confident	200 Å²	200	49.6 Å²	49.6	93%	0.926	27%	0.27	S	S	*	.			trans	-71.7	33.5	170.3	-59.5	-65.2	0	0	0	112.1	E111	E111-H113 PolarHBondContact O-N 3.44Å
114	T	70.1	Confident	84.8	Confident	65 Å²	65	52 Å²	52	40%	0.399	28%	0.283	S	S	.	.			trans	-76.3	143.1	178.3	60	0	0	0	0	109.5	S112 L116	S112-T114 PolarHBondContact O-N 3.01Å; S112-T114 WeakPolarHBondContact OG-CB 3.46Å; S112-T114 WeakPolarHBondContact OG-CG2 3.48Å; S112-T114 PolarHBondContact OG-OG1 3.17Å; T114-L116 PolarHBondContact O-N 2.84Å
115	N	67.3	Low	84.8	Confident	169 Å²	169	50.6 Å²	50.6	90%	0.904	28%	0.276	S	S	*	.			trans	-71.1	9.9	171.3	-66.3	-33.3	0	0	0	112.5	S117	N115-S117 PolarHBondContact O-N 3.32Å
116	L	68.6	Low	84.9	Confident	59 Å²	59	51.1 Å²	51.1	31%	0.309	28%	0.279	S	S	.	.			trans	-77.3	93.3	-177.4	-161.9	65.7	0	0	0	109.4	L109 T114 L118 I193	L109-L116 HydrophobicContact CD1-CB 4.21Å; L109-L116 HydrophobicContact CD1-CD2 3.71Å; L109-L116 HydrophobicContact CD1-CG 4.5Å; L109-L116 HydrophobicContact CD2-CD2 4.11Å; T114-L116 PolarHBondContact O-N 2.84Å; L116-L118 PolarHBondContact O-N 3.14Å; L116-I193 HydrophobicContact CD1-CD1 3.46Å; L116-I193 VanDerWaalsContact CD1-CD1 3.46Å; L116-I193 HydrophobicContact CD2-CD1 3.64Å; L116-I193 HydrophobicContact CG-CD1 3.67Å
117	S	69.9	Low	85	Confident	47 Å²	47	53.2 Å²	53.2	33%	0.329	29%	0.294	S	S	.	.			trans	-80.8	113.3	168.7	-168	0	0	0	0	109.3	N115 G119 R197	N115-S117 PolarHBondContact O-N 3.32Å; S117-G119 PolarHBondContact O-N 2.96Å; S117-G119 PolarHBondContact OG-N 2.7Å; S117-G119 VanDerWaalsContact OG-N 3.1Å; S117-R197 PolarHBondContact O-NH2 3.2Å; S117-R197 VanDerWaalsContact O-NH2 3.09Å
118	L	71.4	Confident	85.1	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	29%	0.294	C	S	.	.			trans	-75.1	1.6	160.1	-65.9	-179	0	0	0	111.7	Y54 L106 L109 L116 L189 I193 L196	Y54-L118 HydrophobicContact CE1-CB 3.84Å; Y54-L118 HydrophobicContact CE1-CD1 4.4Å; L106-L118 HydrophobicContact CD2-CD1 3.74Å; L109-L118 HydrophobicContact CD2-CD1 3.54Å; L109-L118 HydrophobicContact CD2-CD2 4.25Å; L109-L118 HydrophobicContact CD2-CG 3.77Å; L116-L118 PolarHBondContact O-N 3.14Å; L118-L189 HydrophobicContact CD1-CD1 3.96Å; L118-L189 HydrophobicContact CD1-CD2 4.25Å; L118-L189 HydrophobicContact CD1-CG 4.39Å; L118-L189 HydrophobicContact CD2-CD1 4.1Å; L118-L189 HydrophobicContact CD2-CG 4.17Å; L118-I193 HydrophobicContact CD2-CD1 3.86Å; L118-I193 HydrophobicContact CD2-CG1 3.64Å; L118-L196 HydrophobicContact CB-CD1 4.45Å; L118-L196 HydrophobicContact CD2-CD1 3.95Å
119	G	77.3	Confident	85.3	Confident	9 Å²	9	48.9 Å²	48.9	9%	0.093	27%	0.271	C	S	.	.			trans	80	-168.8	-168.4	0	0	0	0	0	113.3	Y54 S117 I200	Y54-G119 WeakPolarHBondContact CD1-O 3.41Å; Y54-G119 WeakPolarHBondContact CE1-O 3.38Å; S117-G119 PolarHBondContact O-N 2.96Å; S117-G119 PolarHBondContact OG-N 2.7Å; S117-G119 VanDerWaalsContact OG-N 3.1Å; G119-I200 VanDerWaalsContact CA-CD1 3.47Å
120	T	80	Confident	85.6	Confident	88 Å²	88	51.3 Å²	51.3	54%	0.54	28%	0.283	S	S	.	.	S	Bend	trans	-117.9	7.1	-178.6	57.7	0	0	0	0	113.1	Y54 E55	Y54-T120 CarbonylContact C-O 3.52Å; E55-T120 WeakPolarHBondContact CB-O 3.2Å; E55-T120 PolarHBondContact N-O 3.01Å
121	G	89.2	Confident	86	Confident	17 Å²	17	53.8 Å²	53.8	18%	0.175	29%	0.29	C	S	.	.	S	Bend	trans	-79.9	-161.6	-179.1	0	0	0	0	0	113.5	E55	E55-G121 PolarHBondContact N-O 3.35Å; E55-G121 VanDerWaalsContact N-O 3.17Å
122	F	92.6	Very high	86.4	Confident	66 Å²	66	49.9 Å²	49.9	29%	0.289	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	134.1	173	-71	-77.3	0	0	0	111.4	E55 G56 I58 V63 H65	E55-F122 HydrophobicContact CB-CD2 4.43Å; E55-F122 HydrophobicContact CB-CE1 4.46Å; E55-F122 HydrophobicContact CB-CE2 4.36Å; E55-F122 HydrophobicContact CB-CZ 4.37Å; E55-F122 HydrophobicContact CG-CD2 4.25Å; E55-F122 HydrophobicContact CG-CE1 4.1Å; E55-F122 HydrophobicContact CG-CE2 3.71Å; E55-F122 HydrophobicContact CG-CZ 3.62Å; E55-F122 WeakPolarHBondContact OE1-CE2 3.47Å; E55-F122 WeakPolarHBondContact OE1-CZ 3.48Å; G56-F122 WeakPolarHBondContact O-CA 3.39Å; I58-F122 HydrophobicContact CD1-CB 3.92Å; I58-F122 HydrophobicContact CD1-CG 4.34Å; I58-F122 HydrophobicContact CG1-CB 4.27Å; I58-F122 HydrophobicContact CG1-CD1 4.23Å; V63-F122 HydrophobicContact CG1-CD1 4.06Å; V63-F122 HydrophobicContact CG1-CE1 3.57Å; H65-F122 AromaticContact CD2-CE1 3.93Å; H65-F122 AromaticContact CD2-CZ 3.85Å
123	V	93.6	Very high	87	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123	170.2	-178.5	0	0	0	0	108.1	Y54 G56 L57 I58 L106	Y54-V123 HydrophobicContact CD1-CG2 3.62Å; Y54-V123 HydrophobicContact CE1-CG2 3.95Å; Y54-V123 HydrophobicContact CG-CG2 4.06Å; G56-V123 PolarHBondContact O-N 3.07Å; L57-V123 WeakPolarHBondContact CA-O 3.29Å; L57-V123 HydrophobicContact CD1-CB 4.05Å; L57-V123 HydrophobicContact CD1-CG1 4.18Å; L57-V123 WeakPolarHBondContact CD1-O 3.4Å; I58-V123 PolarHBondContact N-O 3.14Å; L106-V123 HydrophobicContact CD1-CG1 3.84Å; L106-V123 HydrophobicContact CD2-CG1 3.97Å
124	N	95.7	Very high	88.2	Confident	51 Å²	51	41.8 Å²	41.8	27%	0.273	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	104.8	176.7	-171.9	-25.7	0	0	0	111	I58 D126 S127 V128	I58-N124 HydrophobicContact CB-CB 4.32Å; I58-N124 HydrophobicContact CD1-CB 4.42Å; N124-D126 VanDerWaalsContact C-N 3.31Å; N124-D126 PolarHBondContact O-N 3.35Å; N124-D126 WeakPolarHBondContact OD1-CA 3.23Å; N124-D126 VanDerWaalsContact OD1-CB 3.3Å; N124-D126 WeakPolarHBondContact OD1-CB 3.23Å; N124-D126 PolarHBondContact OD1-N 3.15Å; N124-S127 VanDerWaalsContact CG-OG 3.27Å; N124-S127 PolarHBondContact ND2-OG 3.11Å; N124-S127 PolarHBondContact O-N 3.46Å; N124-S127 PolarHBondContact OD1-N 3.38Å; N124-S127 VanDerWaalsContact OD1-N 3.14Å; N124-V128 WeakPolarHBondContact O-CG2 3.35Å; N124-V128 PolarHBondContact O-N 3.3Å
125	A	97.4	Very high	89.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-34.7	-179.6	0	0	0	0	0	112.2	L57 I58 I59 I99 V102 V128 V129	L57-A125 HydrophobicContact CD1-CB 4.23Å; I58-A125 WeakPolarHBondContact O-CB 3.4Å; I58-A125 PolarHBondContact O-N 2.88Å; I59-A125 HydrophobicContact CG1-CB 4.27Å; I99-A125 HydrophobicContact CD1-CB 3.94Å; V102-A125 HydrophobicContact CG1-CB 3.95Å; A125-V128 WeakPolarHBondContact O-CB 3.41Å; A125-V128 PolarHBondContact O-N 3.35Å; A125-V129 PolarHBondContact O-N 3.32Å; A125-V129 VanDerWaalsContact O-N 3.12Å
126	D	97.4	Very high	91	Very high	20 Å²	20	31.4 Å²	31.4	11%	0.107	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-44.3	177.2	-57.1	-80.8	0	0	0	111	G60 Y95 N124 V128 V129 I130	G60-D126 PolarHBondContact N-OD1 2.99Å; G60-D126 PolarHBondContact N-OD2 3.48Å; Y95-D126 WeakPolarHBondContact CE1-OD1 3.38Å; Y95-D126 WeakPolarHBondContact OH-CA 3.47Å; Y95-D126 WeakPolarHBondContact OH-CB 3.15Å; Y95-D126 PolarHBondContact OH-OD1 3.43Å; N124-D126 VanDerWaalsContact C-N 3.31Å; N124-D126 PolarHBondContact O-N 3.35Å; N124-D126 WeakPolarHBondContact OD1-CA 3.23Å; N124-D126 VanDerWaalsContact OD1-CB 3.3Å; N124-D126 WeakPolarHBondContact OD1-CB 3.23Å; N124-D126 PolarHBondContact OD1-N 3.15Å; D126-V128 VanDerWaalsContact C-N 3.26Å; D126-V128 PolarHBondContact O-N 3.05Å; D126-V129 PolarHBondContact O-N 3.39Å; D126-V129 VanDerWaalsContact O-N 3.14Å; D126-I130 VanDerWaalsContact O-CG1 3.32Å; D126-I130 WeakPolarHBondContact O-CG1 3.28Å; D126-I130 PolarHBondContact O-N 3.42Å
127	S	96.6	Very high	92.4	Very high	47 Å²	47	29.5 Å²	29.5	33%	0.329	16%	0.163	S	C	.	.	H	α-helix	trans	-58.6	-38.1	175.8	-62.6	0	0	0	0	112.1	N124 R131	N124-S127 VanDerWaalsContact CG-OG 3.27Å; N124-S127 PolarHBondContact ND2-OG 3.11Å; N124-S127 PolarHBondContact O-N 3.46Å; N124-S127 PolarHBondContact OD1-N 3.38Å; N124-S127 VanDerWaalsContact OD1-N 3.14Å; S127-R131 VanDerWaalsContact O-CB 3.29Å; S127-R131 WeakPolarHBondContact O-CB 3.48Å; S127-R131 PolarHBondContact O-N 3.21Å
128	V	97.5	Very high	93.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-64.7	-45.2	176.2	-179.4	0	0	0	0	111	V102 N124 A125 D126 R131 A132 I185 L189 L192	V102-V128 HydrophobicContact CG1-CB 3.95Å; V102-V128 HydrophobicContact CG1-CG1 3.97Å; V102-V128 HydrophobicContact CG1-CG2 4.3Å; V102-V128 HydrophobicContact CG2-CB 4.29Å; V102-V128 HydrophobicContact CG2-CG1 3.98Å; N124-V128 WeakPolarHBondContact O-CG2 3.35Å; N124-V128 PolarHBondContact O-N 3.3Å; A125-V128 WeakPolarHBondContact O-CB 3.41Å; A125-V128 PolarHBondContact O-N 3.35Å; D126-V128 VanDerWaalsContact C-N 3.26Å; D126-V128 PolarHBondContact O-N 3.05Å; V128-R131 PolarHBondContact O-N 3.28Å; V128-A132 VanDerWaalsContact O-CB 3.24Å; V128-A132 WeakPolarHBondContact O-CB 3.3Å; V128-A132 PolarHBondContact O-N 3.18Å; V128-I185 HydrophobicContact CG1-CG2 3.94Å; V128-L189 HydrophobicContact CG1-CB 4.35Å; V128-L189 HydrophobicContact CG2-CD1 3.93Å; V128-L192 HydrophobicContact CB-CD1 4.27Å; V128-L192 HydrophobicContact CG2-CD1 3.76Å
129	V	98.3	Very high	94.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-46.2	178.1	179.3	0	0	0	0	111	Y95 L98 I99 V102 A125 D126 R131 A132 N133 I166	Y95-V129 HydrophobicContact CD2-CG1 4.4Å; Y95-V129 HydrophobicContact CE2-CB 4.28Å; Y95-V129 HydrophobicContact CE2-CG1 3.82Å; L98-V129 HydrophobicContact CB-CG1 4.33Å; L98-V129 HydrophobicContact CB-CG2 4.3Å; L98-V129 HydrophobicContact CD1-CG1 3.86Å; I99-V129 HydrophobicContact CD1-CG2 3.91Å; V102-V129 HydrophobicContact CG2-CG2 3.55Å; A125-V129 PolarHBondContact O-N 3.32Å; A125-V129 VanDerWaalsContact O-N 3.12Å; D126-V129 PolarHBondContact O-N 3.39Å; D126-V129 VanDerWaalsContact O-N 3.14Å; V129-R131 VanDerWaalsContact C-N 3.34Å; V129-R131 PolarHBondContact O-N 3.18Å; V129-A132 PolarHBondContact O-N 3.14Å; V129-N133 WeakPolarHBondContact O-CB 3.32Å; V129-N133 PolarHBondContact O-N 3.28Å; V129-I166 HydrophobicContact CG1-CD1 3.78Å; V129-I166 HydrophobicContact CG1-CG1 4.01Å
130	I	97.6	Very high	95.8	Very high	76 Å²	76	33.6 Å²	33.6	39%	0.39	18%	0.177	S	C	.	.	H	α-helix	trans	-58.7	-49.3	178.4	-67.7	164.9	0	0	0	109.7	D126 A132 N133 E134 I166	D126-I130 VanDerWaalsContact O-CG1 3.32Å; D126-I130 WeakPolarHBondContact O-CG1 3.28Å; D126-I130 PolarHBondContact O-N 3.42Å; I130-A132 PolarHBondContact O-N 2.99Å; I130-N133 PolarHBondContact O-N 3.4Å; I130-E134 WeakPolarHBondContact O-CG 3.29Å; I130-E134 PolarHBondContact O-N 2.98Å; I130-I166 HydrophobicContact CG1-CD1 4.42Å
131	R	97.8	Very high	96.5	Very high	82 Å²	82	35.7 Å²	35.7	31%	0.309	18%	0.178	S	C	.	.	H	α-helix	trans	-65.2	-39.7	-179.3	-171.3	60.1	179.2	153.6	-0.1	112.5	S127 V128 V129 N133 E134 I135 A191 L192	S127-R131 VanDerWaalsContact O-CB 3.29Å; S127-R131 WeakPolarHBondContact O-CB 3.48Å; S127-R131 PolarHBondContact O-N 3.21Å; V128-R131 PolarHBondContact O-N 3.28Å; V129-R131 VanDerWaalsContact C-N 3.34Å; V129-R131 PolarHBondContact O-N 3.18Å; R131-N133 VanDerWaalsContact C-N 3.35Å; R131-E134 WeakPolarHBondContact CD-OE2 3.18Å; R131-E134 IonicContact CZ-OE2 3.72Å; R131-E134 IonicContact NH1-OE2 3.35Å; R131-E134 PolarHBondContact NH1-OE2 3.41Å; R131-E134 PolarHBondContact O-N 3.14Å; R131-I135 HydrophobicContact CG-CD1 4.2Å; R131-I135 VanDerWaalsContact O-CG1 3.31Å; R131-I135 WeakPolarHBondContact O-CG1 3.4Å; R131-I135 PolarHBondContact O-N 3.3Å; R131-I135 VanDerWaalsContact O-N 3.09Å; R131-A191 HydrophobicContact CG-CB 4.19Å; R131-L192 HydrophobicContact CB-CD1 4.21Å; R131-L192 HydrophobicContact CB-CD2 4.28Å; R131-L192 HydrophobicContact CB-CG 4.27Å; R131-L192 HydrophobicContact CG-CD2 4.25Å; R131-L192 HydrophobicContact CG-CG 4.21Å
132	A	98.5	Very high	96.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-45.4	174.8	0	0	0	0	0	111.6	V128 V129 I130 E134 I135 F136 F170 Y184 I185	V128-A132 VanDerWaalsContact O-CB 3.24Å; V128-A132 WeakPolarHBondContact O-CB 3.3Å; V128-A132 PolarHBondContact O-N 3.18Å; V129-A132 PolarHBondContact O-N 3.14Å; I130-A132 PolarHBondContact O-N 2.99Å; A132-E134 PolarHBondContact O-N 2.7Å; A132-I135 PolarHBondContact O-N 3.16Å; A132-F136 WeakPolarHBondContact O-CB 3.41Å; A132-F136 PolarHBondContact O-N 2.76Å; A132-F170 HydrophobicContact CB-CE1 4.29Å; A132-F170 HydrophobicContact CB-CZ 3.85Å; A132-Y184 WeakPolarHBondContact CB-O 3.36Å; A132-I185 HydrophobicContact CB-CG1 4.18Å
133	N	98.3	Very high	97	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-39.1	176.8	172.9	75.5	0	0	0	112.4	V129 I130 R131 F136 L137 I166 C167 F170	V129-N133 WeakPolarHBondContact O-CB 3.32Å; V129-N133 PolarHBondContact O-N 3.28Å; I130-N133 PolarHBondContact O-N 3.4Å; R131-N133 VanDerWaalsContact C-N 3.35Å; N133-F136 WeakPolarHBondContact O-CB 3.23Å; N133-F136 PolarHBondContact O-N 3.45Å; N133-L137 VanDerWaalsContact O-CG 3.28Å; N133-L137 WeakPolarHBondContact O-CG 3.19Å; N133-L137 PolarHBondContact O-N 3.4Å; N133-I166 HydrophobicContact CB-CD1 3.73Å; N133-I166 HydrophobicContact CB-CG2 4.22Å; N133-C167 WeakPolarHBondContact OD1-CB 3.18Å; N133-C167 PolarHBondContact OD1-N 3.35Å; N133-F170 HydrophobicContact CB-CD1 4.07Å; N133-F170 HydrophobicContact CB-CE1 4.34Å
134	E	97.5	Very high	97	Very high	64 Å²	64	49.5 Å²	49.5	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-60.3	-47.5	174.1	-71.3	175.9	167.2	0	0	112.2	I130 R131 A132 F136 L137 I138	I130-E134 WeakPolarHBondContact O-CG 3.29Å; I130-E134 PolarHBondContact O-N 2.98Å; R131-E134 WeakPolarHBondContact CD-OE2 3.18Å; R131-E134 IonicContact CZ-OE2 3.72Å; R131-E134 IonicContact NH1-OE2 3.35Å; R131-E134 PolarHBondContact NH1-OE2 3.41Å; R131-E134 PolarHBondContact O-N 3.14Å; A132-E134 PolarHBondContact O-N 2.7Å; E134-F136 VanDerWaalsContact C-N 3.32Å; E134-F136 PolarHBondContact O-N 3.34Å; E134-L137 PolarHBondContact O-N 3.08Å; E134-I138 WeakPolarHBondContact O-CG1 3.41Å; E134-I138 PolarHBondContact O-N 2.78Å
135	I	98.2	Very high	96.9	Very high	14 Å²	14	48 Å²	48	7%	0.072	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-40.6	178.6	-63.5	169	0	0	0	110.4	R131 A132 L137 I138 D139 Y184 R187 A191	R131-I135 HydrophobicContact CG-CD1 4.2Å; R131-I135 VanDerWaalsContact O-CG1 3.31Å; R131-I135 WeakPolarHBondContact O-CG1 3.4Å; R131-I135 PolarHBondContact O-N 3.3Å; R131-I135 VanDerWaalsContact O-N 3.09Å; A132-I135 PolarHBondContact O-N 3.16Å; I135-L137 PolarHBondContact O-N 3.35Å; I135-I138 PolarHBondContact O-N 3.24Å; I135-D139 PolarHBondContact O-N 3.12Å; I135-Y184 HydrophobicContact CB-CD1 4.26Å; I135-Y184 HydrophobicContact CG2-CD1 3.83Å; I135-Y184 HydrophobicContact CG2-CE1 4.15Å; I135-R187 HydrophobicContact CD1-CB 4.02Å; I135-R187 HydrophobicContact CG2-CB 4.39Å; I135-A191 HydrophobicContact CD1-CB 4.3Å
136	F	98.1	Very high	96.7	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-56	-48.9	171.8	168.2	-97.6	0	0	0	111.7	A132 N133 E134 I138 D139 Q140 A147 C167 H169 F170 S173 Y184	A132-F136 WeakPolarHBondContact O-CB 3.41Å; A132-F136 PolarHBondContact O-N 2.76Å; N133-F136 WeakPolarHBondContact O-CB 3.23Å; N133-F136 PolarHBondContact O-N 3.45Å; E134-F136 VanDerWaalsContact C-N 3.32Å; E134-F136 PolarHBondContact O-N 3.34Å; F136-I138 VanDerWaalsContact C-N 3.3Å; F136-I138 PolarHBondContact O-N 2.78Å; F136-D139 PolarHBondContact O-N 3.14Å; F136-Q140 HydrophobicContact CD1-CG 3.97Å; F136-Q140 HydrophobicContact CD2-CG 4Å; F136-Q140 HydrophobicContact CE1-CG 3.61Å; F136-Q140 HydrophobicContact CE2-CG 3.67Å; F136-Q140 HydrophobicContact CG-CG 4.16Å; F136-Q140 HydrophobicContact CZ-CG 3.45Å; F136-Q140 VanDerWaalsContact CZ-CG 3.45Å; F136-Q140 WeakPolarHBondContact O-CB 3.32Å; F136-Q140 WeakPolarHBondContact O-CG 3.44Å; F136-Q140 PolarHBondContact O-N 3.21Å; F136-A147 HydrophobicContact CE1-CB 4Å; F136-A147 HydrophobicContact CZ-CB 4.44Å; F136-C167 HydrophobicContact CE1-CB 4.32Å; F136-H169 HydrophobicContact CE1-CB 4.2Å; F136-H169 HydrophobicContact CZ-CB 3.93Å; F136-F170 HydrophobicContact CB-CD2 3.67Å; F136-F170 HydrophobicContact CB-CE2 3.95Å; F136-F170 HydrophobicContact CB-CG 4.48Å; F136-F170 HydrophobicContact CD1-CB 3.8Å; F136-F170 AromaticContact CD1-CD2 3.91Å; F136-F170 HydrophobicContact CD1-CD2 3.91Å; F136-F170 HydrophobicContact CD1-CG 4.2Å; F136-F170 AromaticContact CD2-CD2 3.68Å; F136-F170 HydrophobicContact CD2-CD2 3.68Å; F136-F170 HydrophobicContact CD2-CE2 4.33Å; F136-F170 HydrophobicContact CE1-CB 3.86Å; F136-F170 HydrophobicContact CE1-CD2 4.46Å; F136-F170 HydrophobicContact CE2-CD2 4.25Å; F136-F170 HydrophobicContact CG-CB 4.28Å; F136-F170 AromaticContact CG-CD2 3.48Å; F136-F170 HydrophobicContact CG-CD2 3.48Å; F136-F170 VanDerWaalsContact CG-CD2 3.48Å; F136-F170 HydrophobicContact CG-CE2 4.19Å; F136-F170 HydrophobicContact CG-CG 4.22Å; F136-F170 HydrophobicContact CZ-CB 4.36Å; F136-S173 WeakPolarHBondContact CE2-OG 3.36Å; F136-Y184 VanDerWaalsContact CA-CE1 3.41Å; F136-Y184 HydrophobicContact CB-CD1 3.96Å; F136-Y184 HydrophobicContact CB-CD2 4.15Å; F136-Y184 HydrophobicContact CB-CE1 4.01Å; F136-Y184 HydrophobicContact CB-CE2 4.2Å; F136-Y184 HydrophobicContact CB-CG 4.02Å; F136-Y184 HydrophobicContact CD2-CD2 4.01Å; F136-Y184 AromaticContact CD2-CE2 3.52Å; F136-Y184 HydrophobicContact CD2-CE2 3.52Å; F136-Y184 AromaticContact CD2-CZ 3.81Å; F136-Y184 HydrophobicContact CE2-CE2 4.42Å; F136-Y184 HydrophobicContact CG-CE2 4.35Å
137	L	97.1	Very high	96.5	Very high	20 Å²	20	52.9 Å²	52.9	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-33.2	-179.6	-68.5	174.7	0	0	0	112.9	N133 E134 I135 K141 A147 C151 C152 C167	N133-L137 VanDerWaalsContact O-CG 3.28Å; N133-L137 WeakPolarHBondContact O-CG 3.19Å; N133-L137 PolarHBondContact O-N 3.4Å; E134-L137 PolarHBondContact O-N 3.08Å; I135-L137 PolarHBondContact O-N 3.35Å; L137-K141 WeakPolarHBondContact O-CB 3.32Å; L137-K141 PolarHBondContact O-N 3.31Å; L137-A147 HydrophobicContact CD2-CB 3.95Å; L137-C151 HydrophobicContact CD1-CB 4.02Å; L137-C151 HydrophobicContact CD2-CB 3.55Å; L137-C151 HydrophobicContact CG-CB 4.47Å; L137-C152 WeakPolarHBondContact CD2-SG 3.3Å; L137-C152 PolarHBondContact O-SG 2.82Å; L137-C167 HydrophobicContact CD2-CB 3.89Å
138	I	96.4	Very high	96.3	Very high	96 Å²	96	53.9 Å²	53.9	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-52.7	172.6	-68.6	166	0	0	0	109.9	E134 I135 F136 Q140 K141 V142	E134-I138 WeakPolarHBondContact O-CG1 3.41Å; E134-I138 PolarHBondContact O-N 2.78Å; I135-I138 PolarHBondContact O-N 3.24Å; F136-I138 VanDerWaalsContact C-N 3.3Å; F136-I138 PolarHBondContact O-N 2.78Å; I138-Q140 VanDerWaalsContact C-N 3.33Å; I138-Q140 PolarHBondContact O-N 3.46Å; I138-K141 PolarHBondContact O-N 2.96Å; I138-V142 WeakPolarHBondContact O-CG2 3.41Å; I138-V142 PolarHBondContact O-N 3.34Å; I138-V142 VanDerWaalsContact O-N 3.09Å
139	D	97.5	Very high	96	Very high	30 Å²	30	57.7 Å²	57.7	16%	0.16	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-41.5	179.6	-80.8	27.4	0	0	0	111.6	I135 F136 K141 V142 L143 Y184 R187	I135-D139 PolarHBondContact O-N 3.12Å; F136-D139 PolarHBondContact O-N 3.14Å; D139-K141 VanDerWaalsContact C-N 3.31Å; D139-K141 PolarHBondContact O-N 3.41Å; D139-V142 PolarHBondContact O-N 2.87Å; D139-L143 VanDerWaalsContact O-CB 3.28Å; D139-L143 WeakPolarHBondContact O-CB 3.5Å; D139-L143 VanDerWaalsContact O-CG 3.3Å; D139-L143 WeakPolarHBondContact O-CG 3.46Å; D139-L143 PolarHBondContact O-N 3.35Å; D139-Y184 HydrophobicContact CB-CE1 4.11Å; D139-Y184 WeakPolarHBondContact CB-OH 3.35Å; D139-Y184 PolarHBondContact OD2-OH 3.02Å; D139-R187 IonicContact OD1-CZ 3.52Å; D139-R187 IonicContact OD1-NH1 3.46Å; D139-R187 IonicContact OD1-NH2 2.93Å; D139-R187 PolarHBondContact OD1-NH2 3.42Å; D139-R187 IonicContact OD2-CZ 2.64Å; D139-R187 IonicContact OD2-NH1 2.8Å; D139-R187 PolarHBondContact OD2-NH1 3.19Å; D139-R187 IonicContact OD2-NH2 3.29Å; D139-R187 PolarHBondContact OD2-NH2 3.3Å
140	Q	96.4	Very high	95.8	Very high	20 Å²	20	58 Å²	58	9%	0.093	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-38.8	176.3	-71.2	-71	-59.6	0	0	112.3	F136 I138 K144 G145 A147	F136-Q140 HydrophobicContact CD1-CG 3.97Å; F136-Q140 HydrophobicContact CD2-CG 4Å; F136-Q140 HydrophobicContact CE1-CG 3.61Å; F136-Q140 HydrophobicContact CE2-CG 3.67Å; F136-Q140 HydrophobicContact CG-CG 4.16Å; F136-Q140 HydrophobicContact CZ-CG 3.45Å; F136-Q140 VanDerWaalsContact CZ-CG 3.45Å; F136-Q140 WeakPolarHBondContact O-CB 3.32Å; F136-Q140 WeakPolarHBondContact O-CG 3.44Å; F136-Q140 PolarHBondContact O-N 3.21Å; I138-Q140 VanDerWaalsContact C-N 3.33Å; I138-Q140 PolarHBondContact O-N 3.46Å; Q140-K144 CarbonylContact O-C 3.38Å; Q140-K144 WeakPolarHBondContact O-CA 3.24Å; Q140-K144 PolarHBondContact O-N 3.38Å; Q140-G145 PolarHBondContact O-N 3.14Å; Q140-G145 VanDerWaalsContact OE1-CA 3.26Å; Q140-A147 HydrophobicContact CB-CB 3.86Å; Q140-A147 HydrophobicContact CG-CB 3.78Å; Q140-A147 VanDerWaalsContact OE1-N 3.16Å
141	K	95.6	Very high	95.5	Very high	131 Å²	131	55 Å²	55	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-66.8	-43.6	176.4	-171.1	174.4	-177.5	174.9	0	111.5	L137 I138 D139 L148 C152	L137-K141 WeakPolarHBondContact O-CB 3.32Å; L137-K141 PolarHBondContact O-N 3.31Å; I138-K141 PolarHBondContact O-N 2.96Å; D139-K141 VanDerWaalsContact C-N 3.31Å; D139-K141 PolarHBondContact O-N 3.41Å; K141-L148 HydrophobicContact CG-CD2 4.43Å; K141-C152 HydrophobicContact CB-CB 4.38Å
142	V	95.4	Very high	95.1	Very high	113 Å²	113	51.8 Å²	51.8	69%	0.685	28%	0.275	S	S	*	.	H	α-helix	trans	-66.2	-43.1	179	172.8	0	0	0	0	111.4	I138 D139 K144	I138-V142 WeakPolarHBondContact O-CG2 3.41Å; I138-V142 PolarHBondContact O-N 3.34Å; I138-V142 VanDerWaalsContact O-N 3.09Å; D139-V142 PolarHBondContact O-N 2.87Å; V142-K144 VanDerWaalsContact C-N 3.33Å
143	L	95.2	Very high	94.4	Very high	91 Å²	91	52.7 Å²	52.7	48%	0.476	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3	-173.9	-62.4	172	0	0	0	113.6	D139 G145 Y179	D139-L143 VanDerWaalsContact O-CB 3.28Å; D139-L143 WeakPolarHBondContact O-CB 3.5Å; D139-L143 VanDerWaalsContact O-CG 3.3Å; D139-L143 WeakPolarHBondContact O-CG 3.46Å; D139-L143 PolarHBondContact O-N 3.35Å; L143-G145 VanDerWaalsContact C-N 3.26Å; L143-G145 PolarHBondContact O-N 3.46Å; L143-Y179 HydrophobicContact CD1-CD1 4.27Å; L143-Y179 HydrophobicContact CD1-CE1 3.34Å
144	K	93.9	Very high	93.6	Very high	174 Å²	174	61.1 Å²	61.1	76%	0.757	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	42.6	-174	-55.3	179.3	-179.6	178.8	0	113.5	Q140 V142 L148	Q140-K144 CarbonylContact O-C 3.38Å; Q140-K144 WeakPolarHBondContact O-CA 3.24Å; Q140-K144 PolarHBondContact O-N 3.38Å; V142-K144 VanDerWaalsContact C-N 3.33Å; K144-L148 VanDerWaalsContact CA-CD1 3.4Å; K144-L148 HydrophobicContact CB-CD1 3.75Å; K144-L148 HydrophobicContact CG-CD1 4.16Å
145	G	94.2	Very high	92.9	Very high	19 Å²	19	62.5 Å²	62.5	20%	0.196	35%	0.354	C	S	.	.			trans	-76.6	176	-180	0	0	0	0	0	113.7	Q140 L143 A147 L148	Q140-G145 PolarHBondContact O-N 3.14Å; Q140-G145 VanDerWaalsContact OE1-CA 3.26Å; L143-G145 VanDerWaalsContact C-N 3.26Å; L143-G145 PolarHBondContact O-N 3.46Å; G145-A147 PolarHBondContact O-N 3.38Å; G145-L148 WeakPolarHBondContact O-CB 3.44Å; G145-L148 PolarHBondContact O-N 2.94Å
146	D	92.9	Very high	92.3	Very high	123 Å²	123	67 Å²	67	66%	0.658	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-58.1	-27.2	-171.8	-60	-37.4	0	0	0	113.8	L148 S149 H169	D146-L148 PolarHBondContact O-N 2.58Å; D146-S149 WeakPolarHBondContact O-CB 3.32Å; D146-S149 PolarHBondContact O-N 2.82Å; D146-S149 PolarHBondContact O-OG 3.01Å; D146-H169 PolarHBondContact O-NE2 3.04Å
147	A	94.2	Very high	91.7	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-68	-11.4	177.6	0	0	0	0	0	114.6	F136 L137 Q140 G145 S149 C150 C151 C152 H169	F136-A147 HydrophobicContact CE1-CB 4Å; F136-A147 HydrophobicContact CZ-CB 4.44Å; L137-A147 HydrophobicContact CD2-CB 3.95Å; Q140-A147 HydrophobicContact CB-CB 3.86Å; Q140-A147 HydrophobicContact CG-CB 3.78Å; Q140-A147 VanDerWaalsContact OE1-N 3.16Å; G145-A147 PolarHBondContact O-N 3.38Å; A147-S149 PolarHBondContact O-N 3.13Å; A147-C150 CarbonylContact O-C 3.55Å; A147-C150 PolarHBondContact O-N 3.05Å; A147-C151 PolarHBondContact O-N 3.08Å; A147-C152 WeakPolarHBondContact O-CB 3.34Å; A147-C152 PolarHBondContact O-N 3.34Å; A147-H169 HydrophobicContact CB-CB 4.3Å
148	L	92	Very high	91.3	Very high	69 Å²	69	74.9 Å²	74.9	36%	0.361	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-57.9	-28.3	165.9	-79.2	-175.4	0	0	0	113	K141 K144 G145 D146 C150 C152	K141-L148 HydrophobicContact CG-CD2 4.43Å; K144-L148 VanDerWaalsContact CA-CD1 3.4Å; K144-L148 HydrophobicContact CB-CD1 3.75Å; K144-L148 HydrophobicContact CG-CD1 4.16Å; G145-L148 WeakPolarHBondContact O-CB 3.44Å; G145-L148 PolarHBondContact O-N 2.94Å; D146-L148 PolarHBondContact O-N 2.58Å; L148-C150 PolarHBondContact O-N 2.8Å; L148-C152 HydrophobicContact CD2-CB 3.82Å; L148-C152 HydrophobicContact CG-CB 4.49Å
149	S	90.8	Very high	91.1	Very high	83 Å²	83	73.8 Å²	73.8	58%	0.58	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-64.8	-20.8	175.6	62.8	0	0	0	0	113.2	D146 A147 H169	D146-S149 WeakPolarHBondContact O-CB 3.32Å; D146-S149 PolarHBondContact O-N 2.82Å; D146-S149 PolarHBondContact O-OG 3.01Å; A147-S149 PolarHBondContact O-N 3.13Å; S149-H169 PolarHBondContact OG-NE2 3.48Å
150	C	93.6	Very high	90.9	Very high	8 Å²	8	73.6 Å²	73.6	5%	0.054	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	-99.6	-175.5	61.2	0	0	0	0	112.8	A147 L148 C152 G153 K156 S159 C160 H169	A147-C150 CarbonylContact O-C 3.55Å; A147-C150 PolarHBondContact O-N 3.05Å; L148-C150 PolarHBondContact O-N 2.8Å; C150-C152 VanDerWaalsContact C-N 3.26Å; C150-C152 PolarHBondContact O-N 2.98Å; C150-C152 VanDerWaalsContact O-N 3.14Å; C150-G153 PolarHBondContact O-N 3.34Å; C150-K156 WeakPolarHBondContact O-CB 3.49Å; C150-S159 WeakPolarHBondContact CA-OG 3.46Å; C150-S159 WeakPolarHBondContact CB-OG 3.33Å; C150-C160 HydrophobicContact CB-CB 3.69Å; C150-H169 PolarHBondContact SG-CD2 3.07Å
151	C	92.8	Very high	90.7	Very high	11 Å²	11	75.9 Å²	75.9	7%	0.074	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20	-166.3	-66.3	0	0	0	0	115.3	L137 A147 G158 C160 C167	L137-C151 HydrophobicContact CD1-CB 4.02Å; L137-C151 HydrophobicContact CD2-CB 3.55Å; L137-C151 HydrophobicContact CG-CB 4.47Å; A147-C151 PolarHBondContact O-N 3.08Å; C151-G158 PolarHBondContact SG-N 3.27Å; C151-G158 VanDerWaalsContact SG-N 3.4Å; C151-C160 PolarHBondContact SG-SG 3.11Å; C151-C167 HydrophobicContact CB-CB 4.21Å
152	C	89.2	Confident	90.6	Very high	16 Å²	16	70.4 Å²	70.4	11%	0.108	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-8.4	174.2	-60.9	0	0	0	0	113.2	L137 K141 A147 L148 C150	L137-C152 WeakPolarHBondContact CD2-SG 3.3Å; L137-C152 PolarHBondContact O-SG 2.82Å; K141-C152 HydrophobicContact CB-CB 4.38Å; A147-C152 WeakPolarHBondContact O-CB 3.34Å; A147-C152 PolarHBondContact O-N 3.34Å; L148-C152 HydrophobicContact CD2-CB 3.82Å; L148-C152 HydrophobicContact CG-CB 4.49Å; C150-C152 VanDerWaalsContact C-N 3.26Å; C150-C152 PolarHBondContact O-N 2.98Å; C150-C152 VanDerWaalsContact O-N 3.14Å
153	G	83.5	Confident	90.5	Very high	19 Å²	19	65.8 Å²	65.8	20%	0.196	40%	0.402	C	S	.	.	S	Bend	trans	-74	146.2	172.8	0	0	0	0	0	112	C150 G155 K156	C150-G153 PolarHBondContact O-N 3.34Å; G153-G155 PolarHBondContact O-N 3.07Å; G153-K156 WeakPolarHBondContact O-CB 3.25Å; G153-K156 PolarHBondContact O-N 2.74Å
154	E	80.8	Confident	90.5	Very high	181 Å²	181	66 Å²	66	85%	0.846	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	128.6	178.1	-67.4	-176.8	172.1	0	0	111.2	K156	E154-K156 PolarHBondContact O-N 3.13Å
155	G	82.6	Confident	90.5	Very high	92 Å²	92	59.9 Å²	59.9	95%	0.948	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	3.4	-177.2	0	0	0	0	0	115.1	G153	G153-G155 PolarHBondContact O-N 3.07Å
156	K	85.4	Confident	90.7	Very high	110 Å²	110	59.1 Å²	59.1	48%	0.478	38%	0.375	S	S	.	.			trans	-103.2	9.8	-175.7	-66.5	-174.8	-177	-179	0	113.7	C150 G153 E154 G158 S159	C150-K156 WeakPolarHBondContact O-CB 3.49Å; G153-K156 WeakPolarHBondContact O-CB 3.25Å; G153-K156 PolarHBondContact O-N 2.74Å; E154-K156 PolarHBondContact O-N 3.13Å; K156-G158 PolarHBondContact O-N 2.97Å; K156-S159 WeakPolarHBondContact O-CB 3.09Å; K156-S159 PolarHBondContact O-N 2.72Å; K156-S159 PolarHBondContact O-OG 3.15Å
157	K	86.2	Confident	90.9	Very high	150 Å²	150	53.3 Å²	53.3	65%	0.652	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	124.5	175.3	-169.5	176.8	-178.4	-179.9	0	109.3	S159	K157-S159 VanDerWaalsContact C-N 3.32Å; K157-S159 PolarHBondContact O-N 3.45Å
158	G	88	Confident	91	Very high	36 Å²	36	57.8 Å²	57.8	37%	0.371	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-6	-176.9	0	0	0	0	0	115.7	C151 K156 C160 G161	C151-G158 PolarHBondContact SG-N 3.27Å; C151-G158 VanDerWaalsContact SG-N 3.4Å; K156-G158 PolarHBondContact O-N 2.97Å; G158-C160 PolarHBondContact O-N 3.39Å; G158-G161 PolarHBondContact O-N 3.24Å
159	S	92	Very high	91.2	Very high	73 Å²	73	55.8 Å²	55.8	51%	0.51	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.1	-178.3	58	0	0	0	0	115	C150 K156 K157 G161	C150-S159 WeakPolarHBondContact CA-OG 3.46Å; C150-S159 WeakPolarHBondContact CB-OG 3.33Å; K156-S159 WeakPolarHBondContact O-CB 3.09Å; K156-S159 PolarHBondContact O-N 2.72Å; K156-S159 PolarHBondContact O-OG 3.15Å; K157-S159 VanDerWaalsContact C-N 3.32Å; K157-S159 PolarHBondContact O-N 3.45Å; S159-G161 PolarHBondContact O-N 3.1Å
160	C	94	Very high	91.6	Very high	26 Å²	26	51.9 Å²	51.9	18%	0.176	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-4.9	176.4	65.8	0	0	0	0	114.9	C150 C151 G158 G162 R168	C150-C160 HydrophobicContact CB-CB 3.69Å; C151-C160 PolarHBondContact SG-SG 3.11Å; G158-C160 PolarHBondContact O-N 3.39Å; C160-G162 VanDerWaalsContact C-N 3.31Å; C160-G162 PolarHBondContact O-N 2.99Å; C160-R168 HydrophobicContact CB-CB 3.87Å; C160-R168 PolarHBondContact SG-N 2.94Å
161	G	91.5	Very high	91.8	Very high	69 Å²	69	51.6 Å²	51.6	71%	0.711	32%	0.32	S	S	*	.			trans	69.5	22.9	179.5	0	0	0	0	0	114.6	G158 S159	G158-G161 PolarHBondContact O-N 3.24Å; S159-G161 PolarHBondContact O-N 3.1Å
162	G	94	Very high	91.9	Very high	16 Å²	16	52.5 Å²	52.5	17%	0.165	32%	0.324	C	S	.	.			trans	-71.9	137	175.7	0	0	0	0	0	112	C160 I166	C160-G162 VanDerWaalsContact C-N 3.31Å; C160-G162 PolarHBondContact O-N 2.99Å; G162-I166 CarbonylContact C-O 3.55Å; G162-I166 VanDerWaalsContact CA-O 3.26Å; G162-I166 WeakPolarHBondContact CA-O 3.37Å
163	A	94.4	Very high	92.3	Very high	16 Å²	16	52.7 Å²	52.7	13%	0.132	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-61	152.3	-179	0	0	0	0	0	111.8	D92 G165 I166 Y171	D92-A163 HydrophobicContact CB-CB 3.8Å; D92-A163 VanDerWaalsContact CG-CB 3.47Å; A163-G165 PolarHBondContact O-N 3.06Å; A163-G165 VanDerWaalsContact O-N 3.08Å; A163-I166 WeakPolarHBondContact O-CB 3.47Å; A163-I166 PolarHBondContact O-N 3.02Å; A163-Y171 PolarHBondContact O-OH 3.09Å
164	Y	95.2	Very high	92.9	Very high	96 Å²	96	53.1 Å²	53.1	38%	0.376	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	56.2	23.2	177.8	-60.7	-92.2	0	0	0	115.1	I90 P91 D92 Y95 I166	I90-Y164 HydrophobicContact CG2-CE2 4.38Å; P91-Y164 VanDerWaalsContact CD-OH 3.23Å; P91-Y164 WeakPolarHBondContact CD-OH 3.46Å; P91-Y164 WeakPolarHBondContact CG-OH 3.22Å; D92-Y164 HydrophobicContact CB-CE2 3.97Å; D92-Y164 WeakPolarHBondContact OD2-CE2 3.49Å; Y95-Y164 HydrophobicContact CD1-CD1 4.21Å; Y95-Y164 AromaticContact CD1-CD2 3.56Å; Y95-Y164 HydrophobicContact CD1-CD2 3.56Å; Y95-Y164 HydrophobicContact CD1-CE1 4.17Å; Y95-Y164 AromaticContact CD1-CE2 3.52Å; Y95-Y164 HydrophobicContact CD1-CE2 3.52Å; Y95-Y164 AromaticContact CD1-CG 3.92Å; Y95-Y164 HydrophobicContact CD1-CG 3.92Å; Y95-Y164 AromaticContact CD1-CZ 3.83Å; Y95-Y164 AromaticContact CD2-CD2 3.61Å; Y95-Y164 HydrophobicContact CD2-CD2 3.61Å; Y95-Y164 HydrophobicContact CD2-CE2 4.38Å; Y95-Y164 AromaticContact CD2-CG 3.77Å; Y95-Y164 HydrophobicContact CD2-CG 3.77Å; Y95-Y164 AromaticContact CE1-CD1 3.96Å; Y95-Y164 HydrophobicContact CE1-CD1 3.96Å; Y95-Y164 HydrophobicContact CE1-CD2 4.12Å; Y95-Y164 HydrophobicContact CE1-CE1 4.07Å; Y95-Y164 HydrophobicContact CE1-CE2 4.22Å; Y95-Y164 AromaticContact CE1-CG 3.99Å; Y95-Y164 HydrophobicContact CE1-CG 3.99Å; Y95-Y164 HydrophobicContact CE2-CD1 4.4Å; Y95-Y164 HydrophobicContact CE2-CD2 4.14Å; Y95-Y164 AromaticContact CE2-CG 3.82Å; Y95-Y164 HydrophobicContact CE2-CG 3.82Å; Y95-Y164 AromaticContact CG-CD2 3.27Å; Y95-Y164 HydrophobicContact CG-CD2 3.27Å; Y95-Y164 AromaticContact CG-CE2 3.61Å; Y95-Y164 HydrophobicContact CG-CE2 3.61Å; Y95-Y164 AromaticContact CG-CG 3.81Å; Y95-Y164 HydrophobicContact CG-CG 3.81Å; Y95-Y164 AromaticContact CZ-CG 3.93Å; Y164-I166 PolarHBondContact O-N 3.44Å
165	G	93.9	Very high	93.7	Very high	45 Å²	45	46 Å²	46	46%	0.464	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	72.4	10.4	-177.7	0	0	0	0	0	114.3	A163	A163-G165 PolarHBondContact O-N 3.06Å; A163-G165 VanDerWaalsContact O-N 3.08Å
166	I	97.7	Very high	94.3	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.015	28%	0.28	C	S	.	.			trans	-85.4	138	178.5	-54.1	-53.4	0	0	0	109.5	Y95 L98 V129 I130 N133 G162 A163 Y164 F170 Y171	Y95-I166 HydrophobicContact CD2-CG1 4.28Å; Y95-I166 HydrophobicContact CE2-CG1 4.17Å; L98-I166 HydrophobicContact CD1-CG2 4.09Å; V129-I166 HydrophobicContact CG1-CD1 3.78Å; V129-I166 HydrophobicContact CG1-CG1 4.01Å; I130-I166 HydrophobicContact CG1-CD1 4.42Å; N133-I166 HydrophobicContact CB-CD1 3.73Å; N133-I166 HydrophobicContact CB-CG2 4.22Å; G162-I166 CarbonylContact C-O 3.55Å; G162-I166 VanDerWaalsContact CA-O 3.26Å; G162-I166 WeakPolarHBondContact CA-O 3.37Å; A163-I166 WeakPolarHBondContact O-CB 3.47Å; A163-I166 PolarHBondContact O-N 3.02Å; Y164-I166 PolarHBondContact O-N 3.44Å; I166-F170 HydrophobicContact CG2-CB 4.19Å; I166-F170 HydrophobicContact CG2-CD1 3.64Å; I166-F170 HydrophobicContact CG2-CG 4.38Å; I166-Y171 HydrophobicContact CB-CD2 4.35Å; I166-Y171 HydrophobicContact CB-CE1 4.36Å; I166-Y171 HydrophobicContact CB-CE2 3.54Å; I166-Y171 WeakPolarHBondContact CB-OH 3.49Å; I166-Y171 HydrophobicContact CG2-CD1 4.4Å; I166-Y171 HydrophobicContact CG2-CD2 4.04Å; I166-Y171 HydrophobicContact CG2-CE1 4.08Å; I166-Y171 HydrophobicContact CG2-CE2 3.69Å; I166-Y171 HydrophobicContact CG2-CG 4.38Å
167	C	97.6	Very high	94.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	28%	0.28	C	S	.	.			trans	-67	136.9	-179.5	-173.6	0	0	0	0	111.4	N133 F136 L137 C151 H169 F170 Y171	N133-C167 WeakPolarHBondContact OD1-CB 3.18Å; N133-C167 PolarHBondContact OD1-N 3.35Å; F136-C167 HydrophobicContact CE1-CB 4.32Å; L137-C167 HydrophobicContact CD2-CB 3.89Å; C151-C167 HydrophobicContact CB-CB 4.21Å; C167-H169 PolarHBondContact O-N 2.66Å; C167-F170 HydrophobicContact CB-CB 4.22Å; C167-F170 WeakPolarHBondContact O-CA 3.38Å; C167-F170 VanDerWaalsContact O-CB 3.31Å; C167-F170 WeakPolarHBondContact O-CB 3.49Å; C167-F170 PolarHBondContact O-N 3.37Å; C167-Y171 PolarHBondContact O-N 2.9Å; C167-Y171 VanDerWaalsContact O-N 3.08Å
168	R	96.1	Very high	95.1	Very high	94 Å²	94	44.7 Å²	44.7	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-56.2	-34.8	174.9	-171.5	174.3	-179.9	164.2	-2.3	113	L24 L27 C160 F170 Y171 D172	L24-R168 HydrophobicContact CD2-CG 4.36Å; L27-R168 HydrophobicContact CD2-CG 4.02Å; C160-R168 HydrophobicContact CB-CB 3.87Å; C160-R168 PolarHBondContact SG-N 2.94Å; R168-F170 VanDerWaalsContact C-N 3.31Å; R168-Y171 WeakPolarHBondContact O-CB 3.45Å; R168-Y171 PolarHBondContact O-N 3.34Å; R168-D172 PolarHBondContact O-N 3.5Å
169	H	96.2	Very high	95.4	Very high	27 Å²	27	47.5 Å²	47.5	13%	0.125	28%	0.283	C	S	.	.	H	α-helix	trans	-71.4	-26.1	175.4	-64.4	-66.9	0	0	0	112.9	F136 D146 A147 S149 C150 C167 D172 S173	F136-H169 HydrophobicContact CE1-CB 4.2Å; F136-H169 HydrophobicContact CZ-CB 3.93Å; D146-H169 PolarHBondContact O-NE2 3.04Å; A147-H169 HydrophobicContact CB-CB 4.3Å; S149-H169 PolarHBondContact OG-NE2 3.48Å; C150-H169 PolarHBondContact SG-CD2 3.07Å; C167-H169 PolarHBondContact O-N 2.66Å; H169-D172 CarbonylContact O-C 3.59Å; H169-D172 PolarHBondContact O-N 3.36Å; H169-S173 PolarHBondContact O-N 2.99Å; H169-S173 PolarHBondContact O-OG 2.95Å
170	F	98.1	Very high	95.7	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-71.5	-44.3	170.7	-169.6	-118.5	0	0	0	110.6	L98 A132 N133 F136 I166 C167 R168 D172 S173 T181 Y184	L98-F170 HydrophobicContact CD1-CD1 4Å; L98-F170 HydrophobicContact CD1-CE1 4.03Å; A132-F170 HydrophobicContact CB-CE1 4.29Å; A132-F170 HydrophobicContact CB-CZ 3.85Å; N133-F170 HydrophobicContact CB-CD1 4.07Å; N133-F170 HydrophobicContact CB-CE1 4.34Å; F136-F170 HydrophobicContact CB-CD2 3.67Å; F136-F170 HydrophobicContact CB-CE2 3.95Å; F136-F170 HydrophobicContact CB-CG 4.48Å; F136-F170 HydrophobicContact CD1-CB 3.8Å; F136-F170 AromaticContact CD1-CD2 3.91Å; F136-F170 HydrophobicContact CD1-CD2 3.91Å; F136-F170 HydrophobicContact CD1-CG 4.2Å; F136-F170 AromaticContact CD2-CD2 3.68Å; F136-F170 HydrophobicContact CD2-CD2 3.68Å; F136-F170 HydrophobicContact CD2-CE2 4.33Å; F136-F170 HydrophobicContact CE1-CB 3.86Å; F136-F170 HydrophobicContact CE1-CD2 4.46Å; F136-F170 HydrophobicContact CE2-CD2 4.25Å; F136-F170 HydrophobicContact CG-CB 4.28Å; F136-F170 AromaticContact CG-CD2 3.48Å; F136-F170 HydrophobicContact CG-CD2 3.48Å; F136-F170 VanDerWaalsContact CG-CD2 3.48Å; F136-F170 HydrophobicContact CG-CE2 4.19Å; F136-F170 HydrophobicContact CG-CG 4.22Å; F136-F170 HydrophobicContact CZ-CB 4.36Å; I166-F170 HydrophobicContact CG2-CB 4.19Å; I166-F170 HydrophobicContact CG2-CD1 3.64Å; I166-F170 HydrophobicContact CG2-CG 4.38Å; C167-F170 HydrophobicContact CB-CB 4.22Å; C167-F170 WeakPolarHBondContact O-CA 3.38Å; C167-F170 VanDerWaalsContact O-CB 3.31Å; C167-F170 WeakPolarHBondContact O-CB 3.49Å; C167-F170 PolarHBondContact O-N 3.37Å; R168-F170 VanDerWaalsContact C-N 3.31Å; F170-D172 PolarHBondContact O-N 3.32Å; F170-D172 VanDerWaalsContact O-N 3.13Å; F170-S173 WeakPolarHBondContact O-CB 3.31Å; F170-S173 PolarHBondContact O-N 2.93Å; F170-T181 HydrophobicContact CD2-CG2 4.21Å; F170-T181 HydrophobicContact CE1-CG2 4.3Å; F170-T181 HydrophobicContact CE2-CG2 3.88Å; F170-T181 HydrophobicContact CZ-CG2 3.94Å; F170-T181 WeakPolarHBondContact O-CG2 3.43Å; F170-Y184 AromaticContact CE2-CD2 3.86Å; F170-Y184 HydrophobicContact CE2-CD2 3.86Å; F170-Y184 HydrophobicContact CE2-CG 4.04Å
171	Y	97.8	Very high	95.9	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-19.8	171.5	-71.7	-61.8	0	0	0	114.1	L27 R30 E94 Y95 L98 A163 I166 C167 R168	L27-Y171 WeakPolarHBondContact CA-O 3.25Å; L27-Y171 HydrophobicContact CD1-CG 4.39Å; L27-Y171 PolarHBondContact N-O 3.05Å; R30-Y171 PolarHBondContact NH1-O 3.27Å; E94-Y171 HydrophobicContact CB-CD1 3.72Å; E94-Y171 HydrophobicContact CB-CE1 3.93Å; E94-Y171 HydrophobicContact CB-CG 4.24Å; E94-Y171 HydrophobicContact CG-CD1 3.92Å; E94-Y171 HydrophobicContact CG-CD2 4.4Å; E94-Y171 HydrophobicContact CG-CE1 3.76Å; E94-Y171 HydrophobicContact CG-CE2 4.26Å; E94-Y171 HydrophobicContact CG-CG 4.24Å; Y95-Y171 HydrophobicContact CD2-CE1 4.48Å; Y95-Y171 WeakPolarHBondContact CD2-OH 3.45Å; L98-Y171 HydrophobicContact CD1-CD1 3.47Å; L98-Y171 VanDerWaalsContact CD1-CD1 3.47Å; L98-Y171 HydrophobicContact CD1-CE1 3.35Å; L98-Y171 HydrophobicContact CG-CD1 3.9Å; L98-Y171 HydrophobicContact CG-CE1 3.93Å; A163-Y171 PolarHBondContact O-OH 3.09Å; I166-Y171 HydrophobicContact CB-CD2 4.35Å; I166-Y171 HydrophobicContact CB-CE1 4.36Å; I166-Y171 HydrophobicContact CB-CE2 3.54Å; I166-Y171 WeakPolarHBondContact CB-OH 3.49Å; I166-Y171 HydrophobicContact CG2-CD1 4.4Å; I166-Y171 HydrophobicContact CG2-CD2 4.04Å; I166-Y171 HydrophobicContact CG2-CE1 4.08Å; I166-Y171 HydrophobicContact CG2-CE2 3.69Å; I166-Y171 HydrophobicContact CG2-CG 4.38Å; C167-Y171 PolarHBondContact O-N 2.9Å; C167-Y171 VanDerWaalsContact O-N 3.08Å; R168-Y171 WeakPolarHBondContact O-CB 3.45Å; R168-Y171 PolarHBondContact O-N 3.34Å
172	D	96.5	Very high	96.2	Very high	31 Å²	31	42.5 Å²	42.5	17%	0.166	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	0.8	175.5	-163.3	46.8	0	0	0	114.4	L24 Q25 W26 L27 R168 H169 F170	L24-D172 WeakPolarHBondContact CA-OD1 3.35Å; L24-D172 VanDerWaalsContact CA-OD2 3.25Å; L24-D172 WeakPolarHBondContact CA-OD2 3.31Å; L24-D172 HydrophobicContact CD2-CB 3.73Å; L24-D172 PolarHBondContact N-OD2 2.66Å; Q25-D172 PolarHBondContact N-OD1 3.34Å; W26-D172 WeakPolarHBondContact CB-O 3.38Å; W26-D172 PolarHBondContact N-OD1 2.87Å; L27-D172 HydrophobicContact CB-CB 4.1Å; L27-D172 PolarHBondContact N-OD1 2.91Å; R168-D172 PolarHBondContact O-N 3.5Å; H169-D172 CarbonylContact O-C 3.59Å; H169-D172 PolarHBondContact O-N 3.36Å; F170-D172 PolarHBondContact O-N 3.32Å; F170-D172 VanDerWaalsContact O-N 3.13Å
173	S	97.1	Very high	96.4	Very high	19 Å²	19	44 Å²	44	13%	0.133	24%	0.239	C	C	.	.	S	Bend	trans	-69.9	138	173.3	-65.7	0	0	0	0	109.4	R30 F136 H169 F170	R30-S173 VanDerWaalsContact CZ-O 3.25Å; R30-S173 PolarHBondContact NH1-O 3.26Å; R30-S173 PolarHBondContact NH2-O 3.46Å; F136-S173 WeakPolarHBondContact CE2-OG 3.36Å; H169-S173 PolarHBondContact O-N 2.99Å; H169-S173 PolarHBondContact O-OG 2.95Å; F170-S173 WeakPolarHBondContact O-CB 3.31Å; F170-S173 PolarHBondContact O-N 2.93Å
174	A	96.5	Very high	96.6	Very high	28 Å²	28	43.2 Å²	43.2	23%	0.231	23%	0.233	C	C	.	.			trans	-54.3	150.2	175	0	0	0	0	0	111	W26 S176 G180 T181	W26-A174 HydrophobicContact CD2-CB 4.21Å; W26-A174 HydrophobicContact CG-CB 4.42Å; W26-A174 HydrophobicContact CZ2-CB 3.89Å; A174-S176 VanDerWaalsContact C-N 3.33Å; A174-S176 PolarHBondContact O-N 2.88Å; A174-G180 CarbonylContact O-C 3.49Å; A174-G180 WeakPolarHBondContact O-CA 3.34Å; A174-T181 PolarHBondContact O-N 3.33Å
175	P	96.7	Very high	96.8	Very high	33 Å²	33	38.7 Å²	38.7	21%	0.214	22%	0.215	C	C	.	.	S	Bend	trans	-56	-48.1	174.6	-28.2	35.7	0	0	0	112.4	W26 T181 I182	W26-P175 HydrophobicContact CE3-CG 4.1Å; W26-P175 VanDerWaalsContact CZ3-CD 3.45Å; W26-P175 HydrophobicContact CZ3-CG 3.99Å; P175-T181 WeakPolarHBondContact CA-OG1 3.31Å; P175-T181 PolarHBondContact O-N 2.91Å; P175-I182 HydrophobicContact CB-CD1 4.07Å; P175-I182 WeakPolarHBondContact O-CB 3.4Å; P175-I182 WeakPolarHBondContact O-CG1 3.26Å; P175-I182 PolarHBondContact O-N 3.3Å
176	S	94.6	Very high	96.9	Very high	85 Å²	85	39.1 Å²	39.1	59%	0.594	21%	0.21	S	C	*	.	S	Bend	trans	-100.7	172.9	-178	60.4	0	0	0	0	112.6	A174 G180	A174-S176 VanDerWaalsContact C-N 3.33Å; A174-S176 PolarHBondContact O-N 2.88Å; S176-G180 WeakPolarHBondContact O-CA 3.44Å
177	G	94.6	Very high	96.8	Very high	46 Å²	46	43.6 Å²	43.6	47%	0.474	23%	0.227	S	C	.	.	S	Bend	trans	98.8	167.9	178.5	0	0	0	0	0	113.5	Y179 G180 T183	G177-Y179 PolarHBondContact O-N 3.43Å; G177-Y179 VanDerWaalsContact O-N 3.14Å; G177-G180 PolarHBondContact O-N 3.22Å; G177-T183 PolarHBondContact O-OG1 3.2Å
178	R	94.5	Very high	96.8	Very high	192 Å²	192	43.6 Å²	43.6	73%	0.725	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.9	-174.3	-177.7	177.6	-179.1	175.5	0.8	113.6	T183	R178-T183 WeakPolarHBondContact O-CG2 3.46Å
179	Y	95.2	Very high	96.6	Very high	95 Å²	95	39.4 Å²	39.4	37%	0.373	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	19.1	178.2	-52.9	-66.9	0	0	0	112	L143 G177 Y184	L143-Y179 HydrophobicContact CD1-CD1 4.27Å; L143-Y179 HydrophobicContact CD1-CE1 3.34Å; G177-Y179 PolarHBondContact O-N 3.43Å; G177-Y179 VanDerWaalsContact O-N 3.14Å; Y179-Y184 WeakPolarHBondContact O-CE2 3.44Å
180	G	97.2	Very high	96.4	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	23%	0.231	C	C	.	.	S	Bend	trans	-79.1	160.2	178	0	0	0	0	0	112.9	A174 S176 G177 I182 T183 Y184	A174-G180 CarbonylContact O-C 3.49Å; A174-G180 WeakPolarHBondContact O-CA 3.34Å; S176-G180 WeakPolarHBondContact O-CA 3.44Å; G177-G180 PolarHBondContact O-N 3.22Å; G180-I182 VanDerWaalsContact C-N 3.33Å; G180-I182 PolarHBondContact O-N 3.21Å; G180-T183 WeakPolarHBondContact O-CB 3.44Å; G180-T183 PolarHBondContact O-N 3.42Å; G180-T183 VanDerWaalsContact O-N 3.12Å; G180-Y184 VanDerWaalsContact O-CD2 3.23Å; G180-Y184 WeakPolarHBondContact O-CD2 3.28Å; G180-Y184 PolarHBondContact O-N 3.19Å
181	T	98.5	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-40.1	-177.8	48.2	0	0	0	0	112.3	R30 L98 E101 F170 A174 P175 T183 Y184 I185	R30-T181 VanDerWaalsContact NH2-CG2 3.27Å; R30-T181 PolarHBondContact NH2-OG1 3.46Å; L98-T181 HydrophobicContact CD2-CG2 3.95Å; E101-T181 VanDerWaalsContact OE2-CB 3.26Å; E101-T181 WeakPolarHBondContact OE2-CB 3.29Å; E101-T181 PolarHBondContact OE2-OG1 3.04Å; F170-T181 HydrophobicContact CD2-CG2 4.21Å; F170-T181 HydrophobicContact CE1-CG2 4.3Å; F170-T181 HydrophobicContact CE2-CG2 3.88Å; F170-T181 HydrophobicContact CZ-CG2 3.94Å; F170-T181 WeakPolarHBondContact O-CG2 3.43Å; A174-T181 PolarHBondContact O-N 3.33Å; P175-T181 WeakPolarHBondContact CA-OG1 3.31Å; P175-T181 PolarHBondContact O-N 2.91Å; T181-T183 VanDerWaalsContact C-N 3.29Å; T181-T183 PolarHBondContact O-N 3.35Å; T181-Y184 PolarHBondContact O-N 2.99Å; T181-Y184 VanDerWaalsContact O-N 3.16Å; T181-I185 WeakPolarHBondContact O-CB 3.3Å; T181-I185 WeakPolarHBondContact O-CG1 3.46Å; T181-I185 PolarHBondContact O-N 3.32Å
182	I	97.9	Very high	95.8	Very high	62 Å²	62	44.6 Å²	44.6	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-60.1	-40	177.3	-66.3	170.2	0	0	0	111	V105 P175 G180 Y184 I185 C186	V105-I182 HydrophobicContact CG2-CG2 3.86Å; P175-I182 HydrophobicContact CB-CD1 4.07Å; P175-I182 WeakPolarHBondContact O-CB 3.4Å; P175-I182 WeakPolarHBondContact O-CG1 3.26Å; P175-I182 PolarHBondContact O-N 3.3Å; G180-I182 VanDerWaalsContact C-N 3.33Å; G180-I182 PolarHBondContact O-N 3.21Å; I182-Y184 VanDerWaalsContact C-N 3.34Å; I182-Y184 PolarHBondContact O-N 3.08Å; I182-I185 PolarHBondContact O-N 3.37Å; I182-C186 WeakPolarHBondContact O-CB 3.39Å; I182-C186 PolarHBondContact O-N 3.01Å; I182-C186 PolarHBondContact O-SG 3.4Å
183	T	98.2	Very high	95.2	Very high	47 Å²	47	43.8 Å²	43.8	29%	0.288	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-43.8	177.5	-64.2	0	0	0	0	111.2	G177 R178 G180 T181 R187	G177-T183 PolarHBondContact O-OG1 3.2Å; R178-T183 WeakPolarHBondContact O-CG2 3.46Å; G180-T183 WeakPolarHBondContact O-CB 3.44Å; G180-T183 PolarHBondContact O-N 3.42Å; G180-T183 VanDerWaalsContact O-N 3.12Å; T181-T183 VanDerWaalsContact C-N 3.29Å; T181-T183 PolarHBondContact O-N 3.35Å; T183-R187 WeakPolarHBondContact O-CG 3.41Å; T183-R187 PolarHBondContact O-N 3.07Å; T183-R187 VanDerWaalsContact O-N 3.08Å
184	Y	98.7	Very high	94.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.9	-33.3	177.3	-69.7	-72.2	0	0	0	113.2	A132 I135 F136 D139 F170 Y179 G180 T181 I182 R187 G188	A132-Y184 WeakPolarHBondContact CB-O 3.36Å; I135-Y184 HydrophobicContact CB-CD1 4.26Å; I135-Y184 HydrophobicContact CG2-CD1 3.83Å; I135-Y184 HydrophobicContact CG2-CE1 4.15Å; F136-Y184 VanDerWaalsContact CA-CE1 3.41Å; F136-Y184 HydrophobicContact CB-CD1 3.96Å; F136-Y184 HydrophobicContact CB-CD2 4.15Å; F136-Y184 HydrophobicContact CB-CE1 4.01Å; F136-Y184 HydrophobicContact CB-CE2 4.2Å; F136-Y184 HydrophobicContact CB-CG 4.02Å; F136-Y184 HydrophobicContact CD2-CD2 4.01Å; F136-Y184 AromaticContact CD2-CE2 3.52Å; F136-Y184 HydrophobicContact CD2-CE2 3.52Å; F136-Y184 AromaticContact CD2-CZ 3.81Å; F136-Y184 HydrophobicContact CE2-CE2 4.42Å; F136-Y184 HydrophobicContact CG-CE2 4.35Å; D139-Y184 HydrophobicContact CB-CE1 4.11Å; D139-Y184 WeakPolarHBondContact CB-OH 3.35Å; D139-Y184 PolarHBondContact OD2-OH 3.02Å; F170-Y184 AromaticContact CE2-CD2 3.86Å; F170-Y184 HydrophobicContact CE2-CD2 3.86Å; F170-Y184 HydrophobicContact CE2-CG 4.04Å; Y179-Y184 WeakPolarHBondContact O-CE2 3.44Å; G180-Y184 VanDerWaalsContact O-CD2 3.23Å; G180-Y184 WeakPolarHBondContact O-CD2 3.28Å; G180-Y184 PolarHBondContact O-N 3.19Å; T181-Y184 PolarHBondContact O-N 2.99Å; T181-Y184 VanDerWaalsContact O-N 3.16Å; I182-Y184 VanDerWaalsContact C-N 3.34Å; I182-Y184 PolarHBondContact O-N 3.08Å; Y184-R187 PolarHBondContact O-N 3.23Å; Y184-G188 PolarHBondContact O-N 3.48Å
185	I	98.5	Very high	93	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-47.7	172.2	-73	165.8	0	0	0	109.8	E101 V102 V105 V128 A132 T181 I182 R187 G188 L189	E101-I185 HydrophobicContact CB-CD1 3.77Å; V102-I185 HydrophobicContact CB-CG2 4.45Å; V102-I185 HydrophobicContact CG2-CD1 3.9Å; V102-I185 HydrophobicContact CG2-CG1 3.98Å; V102-I185 HydrophobicContact CG2-CG2 3.92Å; V105-I185 HydrophobicContact CB-CG2 3.81Å; V105-I185 HydrophobicContact CG1-CG2 4.02Å; V105-I185 HydrophobicContact CG2-CB 4.38Å; V105-I185 HydrophobicContact CG2-CG2 3.66Å; V128-I185 HydrophobicContact CG1-CG2 3.94Å; A132-I185 HydrophobicContact CB-CG1 4.18Å; T181-I185 WeakPolarHBondContact O-CB 3.3Å; T181-I185 WeakPolarHBondContact O-CG1 3.46Å; T181-I185 PolarHBondContact O-N 3.32Å; I182-I185 PolarHBondContact O-N 3.37Å; I185-R187 PolarHBondContact O-N 3.09Å; I185-G188 PolarHBondContact O-N 2.79Å; I185-L189 WeakPolarHBondContact O-CB 3.28Å; I185-L189 PolarHBondContact O-N 2.67Å
186	C	95.9	Very high	91.4	Very high	54 Å²	54	49.4 Å²	49.4	37%	0.365	27%	0.267	S	S	.	.	H	α-helix	trans	-59	-45.6	175	-71.5	0	0	0	0	111.7	I182 L189 V190	I182-C186 WeakPolarHBondContact O-CB 3.39Å; I182-C186 PolarHBondContact O-N 3.01Å; I182-C186 PolarHBondContact O-SG 3.4Å; C186-L189 PolarHBondContact O-N 2.86Å; C186-V190 WeakPolarHBondContact O-CG2 3.17Å; C186-V190 PolarHBondContact O-N 3.27Å
187	R	96.9	Very high	90	Very high	96 Å²	96	50.9 Å²	50.9	36%	0.362	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-40.7	176.2	-72.4	170.5	68.5	-173.6	1.2	112.3	I135 D139 T183 Y184 I185 V190 A191	I135-R187 HydrophobicContact CD1-CB 4.02Å; I135-R187 HydrophobicContact CG2-CB 4.39Å; D139-R187 IonicContact OD1-CZ 3.52Å; D139-R187 IonicContact OD1-NH1 3.46Å; D139-R187 IonicContact OD1-NH2 2.93Å; D139-R187 PolarHBondContact OD1-NH2 3.42Å; D139-R187 IonicContact OD2-CZ 2.64Å; D139-R187 IonicContact OD2-NH1 2.8Å; D139-R187 PolarHBondContact OD2-NH1 3.19Å; D139-R187 IonicContact OD2-NH2 3.29Å; D139-R187 PolarHBondContact OD2-NH2 3.3Å; T183-R187 WeakPolarHBondContact O-CG 3.41Å; T183-R187 PolarHBondContact O-N 3.07Å; T183-R187 VanDerWaalsContact O-N 3.08Å; Y184-R187 PolarHBondContact O-N 3.23Å; I185-R187 PolarHBondContact O-N 3.09Å; R187-V190 PolarHBondContact O-N 2.85Å; R187-A191 WeakPolarHBondContact O-CB 3.47Å; R187-A191 PolarHBondContact O-N 3.16Å
188	G	96.8	Very high	88.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-47.2	176.9	0	0	0	0	0	111.3	Y184 I185 V190 A191 L192	Y184-G188 PolarHBondContact O-N 3.48Å; I185-G188 PolarHBondContact O-N 2.79Å; G188-V190 PolarHBondContact O-N 3.37Å; G188-A191 WeakPolarHBondContact O-CB 3.35Å; G188-A191 PolarHBondContact O-N 3.21Å; G188-A191 VanDerWaalsContact O-N 3.15Å; G188-L192 VanDerWaalsContact O-CG 3.31Å; G188-L192 WeakPolarHBondContact O-CG 3.43Å; G188-L192 PolarHBondContact O-N 3.35Å; G188-L192 VanDerWaalsContact O-N 3.07Å
189	L	93.4	Very high	86.6	Confident	7 Å²	7	51 Å²	51	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-48.2	176.4	-173	64.9	0	0	0	111.5	V105 L106 L109 L118 V128 I185 C186 A191 L192 I193	V105-L189 HydrophobicContact CG1-CD2 4.18Å; L106-L189 HydrophobicContact CD2-CD1 3.82Å; L106-L189 HydrophobicContact CD2-CD2 3.93Å; L109-L189 HydrophobicContact CD2-CD2 3.73Å; L118-L189 HydrophobicContact CD1-CD1 3.96Å; L118-L189 HydrophobicContact CD1-CD2 4.25Å; L118-L189 HydrophobicContact CD1-CG 4.39Å; L118-L189 HydrophobicContact CD2-CD1 4.1Å; L118-L189 HydrophobicContact CD2-CG 4.17Å; V128-L189 HydrophobicContact CG1-CB 4.35Å; V128-L189 HydrophobicContact CG2-CD1 3.93Å; I185-L189 WeakPolarHBondContact O-CB 3.28Å; I185-L189 PolarHBondContact O-N 2.67Å; C186-L189 PolarHBondContact O-N 2.86Å; L189-A191 VanDerWaalsContact C-N 3.29Å; L189-A191 PolarHBondContact O-N 2.87Å; L189-L192 PolarHBondContact O-N 3.04Å; L189-L192 VanDerWaalsContact O-N 3.11Å; L189-I193 VanDerWaalsContact O-CG1 3.29Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 3.05Å
190	V	91.7	Very high	84.7	Confident	87 Å²	87	49 Å²	49	53%	0.527	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-39.7	176.1	171.1	0	0	0	0	111.7	C186 R187 G188 L192 I193	C186-V190 WeakPolarHBondContact O-CG2 3.17Å; C186-V190 PolarHBondContact O-N 3.27Å; R187-V190 PolarHBondContact O-N 2.85Å; G188-V190 PolarHBondContact O-N 3.37Å; V190-L192 VanDerWaalsContact C-N 3.27Å; V190-L192 PolarHBondContact O-N 3.03Å; V190-I193 WeakPolarHBondContact O-CG1 3.42Å; V190-I193 PolarHBondContact O-N 3.07Å
191	A	92.3	Very high	82.7	Confident	33 Å²	33	55.8 Å²	55.8	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-68.4	-23.8	178.1	0	0	0	0	0	113.7	R131 I135 R187 G188 L189	R131-A191 HydrophobicContact CG-CB 4.19Å; I135-A191 HydrophobicContact CD1-CB 4.3Å; R187-A191 WeakPolarHBondContact O-CB 3.47Å; R187-A191 PolarHBondContact O-N 3.16Å; G188-A191 WeakPolarHBondContact O-CB 3.35Å; G188-A191 PolarHBondContact O-N 3.21Å; G188-A191 VanDerWaalsContact O-N 3.15Å; L189-A191 VanDerWaalsContact C-N 3.29Å; L189-A191 PolarHBondContact O-N 2.87Å
192	L	90.1	Very high	80.5	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.094	32%	0.315	C	S	.	.	H	α-helix	trans	-88.1	-12.7	178.2	-65.3	170.8	0	0	0	113.1	V128 R131 G188 L189 V190 P194 Q195 L196	V128-L192 HydrophobicContact CB-CD1 4.27Å; V128-L192 HydrophobicContact CG2-CD1 3.76Å; R131-L192 HydrophobicContact CB-CD1 4.21Å; R131-L192 HydrophobicContact CB-CD2 4.28Å; R131-L192 HydrophobicContact CB-CG 4.27Å; R131-L192 HydrophobicContact CG-CD2 4.25Å; R131-L192 HydrophobicContact CG-CG 4.21Å; G188-L192 VanDerWaalsContact O-CG 3.31Å; G188-L192 WeakPolarHBondContact O-CG 3.43Å; G188-L192 PolarHBondContact O-N 3.35Å; G188-L192 VanDerWaalsContact O-N 3.07Å; L189-L192 PolarHBondContact O-N 3.04Å; L189-L192 VanDerWaalsContact O-N 3.11Å; V190-L192 VanDerWaalsContact C-N 3.27Å; V190-L192 PolarHBondContact O-N 3.03Å; L192-P194 VanDerWaalsContact C-CD 3.48Å; L192-Q195 WeakPolarHBondContact O-CB 3.34Å; L192-Q195 PolarHBondContact O-N 3.17Å; L192-Q195 VanDerWaalsContact O-N 3.11Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3Å
193	I	83.3	Confident	78.3	Confident	15 Å²	15	62.5 Å²	62.5	8%	0.077	33%	0.333	C	S	.	.	H	α-helix	trans	-55.2	-43.4	-178.1	-60.6	-173.2	0	0	0	113.8	L116 L118 L189 V190 Q195 L196 R197	L116-I193 HydrophobicContact CD1-CD1 3.46Å; L116-I193 VanDerWaalsContact CD1-CD1 3.46Å; L116-I193 HydrophobicContact CD2-CD1 3.64Å; L116-I193 HydrophobicContact CG-CD1 3.67Å; L118-I193 HydrophobicContact CD2-CD1 3.86Å; L118-I193 HydrophobicContact CD2-CG1 3.64Å; L189-I193 VanDerWaalsContact O-CG1 3.29Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 3.05Å; V190-I193 WeakPolarHBondContact O-CG1 3.42Å; V190-I193 PolarHBondContact O-N 3.07Å; I193-Q195 VanDerWaalsContact C-N 3.28Å; I193-Q195 PolarHBondContact O-N 3.29Å; I193-L196 PolarHBondContact O-N 3.01Å; I193-R197 HydrophobicContact CG2-CG 4.46Å; I193-R197 WeakPolarHBondContact O-CG 3.15Å; I193-R197 PolarHBondContact O-N 3.07Å
194	P	76.7	Confident	76	Confident	72 Å²	72	66 Å²	66	47%	0.468	35%	0.354	S	S	.	.	H	α-helix	trans	-58	-43.2	177.4	-24.5	35.6	0	0	0	112.1	L192 R197 E198	L192-P194 VanDerWaalsContact C-CD 3.48Å; P194-R197 PolarHBondContact O-N 2.6Å; P194-E198 WeakPolarHBondContact O-CG 3.45Å; P194-E198 PolarHBondContact O-N 3.22Å; P194-E198 VanDerWaalsContact O-N 3.1Å
195	Q	71.3	Confident	73.4	Confident	102 Å²	102	75.1 Å²	75.1	48%	0.477	41%	0.41	S	S	.	.	H	α-helix	trans	-66.7	-42	179.7	-62.6	163.9	-10.4	0	0	111.5	L192 I193 R197 E198 E199	L192-Q195 WeakPolarHBondContact O-CB 3.34Å; L192-Q195 PolarHBondContact O-N 3.17Å; L192-Q195 VanDerWaalsContact O-N 3.11Å; I193-Q195 VanDerWaalsContact C-N 3.28Å; I193-Q195 PolarHBondContact O-N 3.29Å; Q195-R197 PolarHBondContact O-N 3.05Å; Q195-E198 PolarHBondContact O-N 3.4Å; Q195-E199 PolarHBondContact O-N 3.27Å
196	L	64	Low	72.1	Confident	23 Å²	23	78.9 Å²	78.9	12%	0.12	43%	0.43	C	S	.	.	H	α-helix	trans	-62.8	-28.2	175.3	-68.8	171.4	0	0	0	112.6	L118 L192 I193 I200	L118-L196 HydrophobicContact CB-CD1 4.45Å; L118-L196 HydrophobicContact CD2-CD1 3.95Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3Å; I193-L196 PolarHBondContact O-N 3.01Å; L196-I200 WeakPolarHBondContact O-CD1 3.28Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.38Å
197	R	65.3	Low	70.9	Confident	116 Å²	116	80.2 Å²	80.2	44%	0.438	43%	0.433	S	S	.	.	H	α-helix	trans	-76.6	-41.4	175.1	-72	175.2	-175.8	-92.5	-2.1	111.9	S117 I193 P194 Q195 I200 E201	S117-R197 PolarHBondContact O-NH2 3.2Å; S117-R197 VanDerWaalsContact O-NH2 3.09Å; I193-R197 HydrophobicContact CG2-CG 4.46Å; I193-R197 WeakPolarHBondContact O-CG 3.15Å; I193-R197 PolarHBondContact O-N 3.07Å; P194-R197 PolarHBondContact O-N 2.6Å; Q195-R197 PolarHBondContact O-N 3.05Å; R197-I200 PolarHBondContact O-N 3.25Å; R197-E201 PolarHBondContact O-N 2.64Å
198	E	58.8	Low	69.4	Low	122 Å²	122	79.3 Å²	79.3	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-63.4	-42.5	177.8	-71	171	-168.1	0	0	112.2	P194 Q195 I200 E201 C202	P194-E198 WeakPolarHBondContact O-CG 3.45Å; P194-E198 PolarHBondContact O-N 3.22Å; P194-E198 VanDerWaalsContact O-N 3.1Å; Q195-E198 PolarHBondContact O-N 3.4Å; E198-I200 PolarHBondContact O-N 2.95Å; E198-E201 PolarHBondContact O-N 2.91Å; E198-E201 VanDerWaalsContact O-N 3.14Å; E198-C202 PolarHBondContact O-N 3.18Å
199	E	57.8	Low	67.8	Low	118 Å²	118	83.9 Å²	83.9	55%	0.551	46%	0.463	S	S	*	.	H	α-helix	trans	-59.2	-31.7	177	-74.7	179.1	179.3	0	0	112.6	Q195 S203	Q195-E199 PolarHBondContact O-N 3.27Å; E199-S203 PolarHBondContact O-N 3.02Å; E199-S203 PolarHBondContact O-OG 3.05Å
200	I	55.2	Low	66.2	Low	54 Å²	54	88.8 Å²	88.8	28%	0.277	49%	0.49	S	S	.	.	H	α-helix	trans	-73.9	-46.7	176.7	-64.1	164.2	0	0	0	110	G119 L196 R197 E198 C202 S203 V204	G119-I200 VanDerWaalsContact CA-CD1 3.47Å; L196-I200 WeakPolarHBondContact O-CD1 3.28Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.38Å; R197-I200 PolarHBondContact O-N 3.25Å; E198-I200 PolarHBondContact O-N 2.95Å; I200-C202 VanDerWaalsContact C-N 3.28Å; I200-C202 PolarHBondContact O-N 3.14Å; I200-S203 PolarHBondContact O-N 3.06Å; I200-V204 WeakPolarHBondContact O-CG2 3.03Å; I200-V204 PolarHBondContact O-N 3.46Å
201	E	54.8	Low	64.5	Low	145 Å²	145	88.9 Å²	88.9	68%	0.678	49%	0.487	S	S	*	.	H	α-helix	trans	-60.1	-37.6	179.3	-70.8	179.4	-173.6	0	0	112.2	R197 E198 S203	R197-E201 PolarHBondContact O-N 2.64Å; E198-E201 PolarHBondContact O-N 2.91Å; E198-E201 VanDerWaalsContact O-N 3.14Å; E201-S203 VanDerWaalsContact C-N 3.28Å; E201-S203 PolarHBondContact O-N 3.33Å
202	C	52.7	Low	62.5	Low	103 Å²	103	92.9 Å²	92.9	70%	0.696	50%	0.502	S	S	*	.	H	α-helix	trans	-70.5	-19.9	174.5	-67.6	0	0	0	0	114.2	E198 I200	E198-C202 PolarHBondContact O-N 3.18Å; I200-C202 VanDerWaalsContact C-N 3.28Å; I200-C202 PolarHBondContact O-N 3.14Å
203	S	52.9	Low	60.4	Low	99 Å²	99	98.6 Å²	98.6	69%	0.692	53%	0.534	S	S	*	.	H	α-helix	trans	-90.9	-7.7	-178.5	-58.5	0	0	0	0	113.7	E199 I200 E201	E199-S203 PolarHBondContact O-N 3.02Å; E199-S203 PolarHBondContact O-OG 3.05Å; I200-S203 PolarHBondContact O-N 3.06Å; E201-S203 VanDerWaalsContact C-N 3.28Å; E201-S203 PolarHBondContact O-N 3.33Å
204	V	49	Very low	58.5	Low	120 Å²	120	105.6 Å²	105.6	73%	0.727	57%	0.572	S	S	*	*			trans	-96	26.6	178.8	-153.9	0	0	0	0	112.7	I200	I200-V204 WeakPolarHBondContact O-CG2 3.03Å; I200-V204 PolarHBondContact O-N 3.46Å
205	V	43.6	Very low	56.8	Low	193 Å²	193	108.6 Å²	108.6	100%	1.17	58%	0.581	S	S	*	*			trans	-111.9	0	176.3	-173.6	0	0	0	0	111.2

Retrieved 205 of 205 residues in 114.9 ms (Link to these results)

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