A0A096NFP5_PAPAN Loading...

Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase

Catalyzes the third of the four reactions of the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process, allows the addition of two carbons to the chain of long- and very long-chain fatty acids/VLCFAs per cycle. This enzyme catalyzes the dehydration of the 3-hydroxyacyl-CoA intermediate into trans-2,3-enoyl-CoA, within each cycle of fatty acid elongation. Thereby, it participates to the production of VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession A0A096NFP5, Species PAPAN (Papio anubis, Olive baboon), Gene HACD2, Length 254 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	31.1	Very low	29.6	Very low	42 Å²	42	44.5 Å²	44.5	21%	0.207	27%	0.267	C	S	.	.				0	-55	0	-76.6	-81	-116	0	0	111.7	Q110 T144 E145	M1-Q110 VanDerWaalsContact CA-CD 3.41Å; M1-Q110 PolarHBondContact O-NE2 3.33Å; M1-Q110 PolarHBondContact O-OE1 3.04Å; M1-T144 HydrophobicContact CB-CG2 4.35Å; M1-T144 HydrophobicContact CE-CG2 3.29Å; M1-T144 HydrophobicContact CG-CG2 4.43Å; M1-T144 HydrophobicContact SD-CG2 4.06Å; M1-E145 HydrophobicContact CE-CG 3.74Å; M1-E145 WeakPolarHBondContact CE-OE1 3.29Å
2	A	27	Very low	29.5	Very low	9 Å²	9	46 Å²	46	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-91.4	-32.3	-171.4	0	0	0	0	0	113	A6 Y176 M236	A2-A6 WeakPolarHBondContact O-CB 3.29Å; A2-A6 PolarHBondContact O-N 3.15Å; A2-Y176 HydrophobicContact CB-CE2 4.44Å; A2-M236 VanDerWaalsContact C-SD 3.58Å; A2-M236 HydrophobicContact CB-CE 3.72Å; A2-M236 HydrophobicContact CB-CG 3.14Å; A2-M236 HydrophobicContact CB-SD 3.24Å; A2-M236 WeakPolarHBondContact CB-SD 3.27Å
3	A	27.7	Very low	29.5	Very low	13 Å²	13	52.5 Å²	52.5	11%	0.107	33%	0.329	C	S	.	.	H	α-helix	trans	-68.8	-39.1	-175.8	0	0	0	0	0	117	A6 I7 L232	A3-A6 WeakPolarHBondContact O-CB 3.45Å; A3-A6 PolarHBondContact O-N 3.06Å; A3-I7 WeakPolarHBondContact O-CD1 3.38Å; A3-I7 VanDerWaalsContact O-CG1 3.32Å; A3-I7 WeakPolarHBondContact O-CG1 3.49Å; A3-I7 PolarHBondContact O-N 3.42Å; A3-I7 VanDerWaalsContact O-N 3.16Å; A3-L232 HydrophobicContact CB-CB 4.18Å; A3-L232 HydrophobicContact CB-CD1 3.66Å; A3-L232 HydrophobicContact CB-CD2 3.19Å; A3-L232 HydrophobicContact CB-CG 3.81Å
4	A	30.2	Very low	29.4	Very low	10 Å²	10	54.9 Å²	54.9	8%	0.083	37%	0.37	C	S	.	.	H	α-helix	trans	-77.8	-38.4	-176.8	0	0	0	0	0	111.9	A6 I7 A8 L106 Q110	A4-A6 PolarHBondContact O-N 3.41Å; A4-I7 PolarHBondContact O-N 3.28Å; A4-A8 WeakPolarHBondContact O-CB 3.35Å; A4-A8 PolarHBondContact O-N 3.35Å; A4-A8 VanDerWaalsContact O-N 3.11Å; A4-L106 HydrophobicContact CB-CB 4.21Å; A4-Q110 VanDerWaalsContact CB-OE1 3.29Å
5	A	30.7	Very low	29.2	Very low	19 Å²	19	56.1 Å²	56.1	16%	0.157	40%	0.395	C	S	.	.	H	α-helix	trans	-62.5	-28.2	171.7	0	0	0	0	0	112.2	A9	A5-A9 WeakPolarHBondContact O-CB 3.4Å; A5-A9 PolarHBondContact O-N 3.33Å
6	A	28.7	Very low	29	Very low	0 Å²	0	58.4 Å²	58.4	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-71.4	-47.4	179.7	0	0	0	0	0	113.4	A2 A3 A4 A9 A10 H235 Q239	A2-A6 WeakPolarHBondContact O-CB 3.29Å; A2-A6 PolarHBondContact O-N 3.15Å; A3-A6 WeakPolarHBondContact O-CB 3.45Å; A3-A6 PolarHBondContact O-N 3.06Å; A4-A6 PolarHBondContact O-N 3.41Å; A6-A9 PolarHBondContact O-N 3.43Å; A6-A10 PolarHBondContact O-N 3.41Å; A6-H235 WeakPolarHBondContact CB-CE1 3.33Å; A6-H235 WeakPolarHBondContact CB-ND1 3.22Å; A6-Q239 VanDerWaalsContact CA-CD 3.44Å; A6-Q239 VanDerWaalsContact CA-OE1 3.24Å; A6-Q239 HydrophobicContact CB-CG 4.31Å; A6-Q239 VanDerWaalsContact CB-OE1 3.24Å; A6-Q239 PolarHBondContact O-NE2 3.46Å
7	I	31.4	Very low	28.8	Very low	67 Å²	67	59.8 Å²	59.8	34%	0.344	45%	0.454	S	S	.	.	H	α-helix	trans	-75.8	-28.7	-176.8	-65.8	164	0	0	0	110.7	A3 A4 L106	A3-I7 WeakPolarHBondContact O-CD1 3.38Å; A3-I7 VanDerWaalsContact O-CG1 3.32Å; A3-I7 WeakPolarHBondContact O-CG1 3.49Å; A3-I7 PolarHBondContact O-N 3.42Å; A3-I7 VanDerWaalsContact O-N 3.16Å; A4-I7 PolarHBondContact O-N 3.28Å; I7-L106 HydrophobicContact CB-CD1 3.83Å; I7-L106 HydrophobicContact CD1-CD1 3.56Å; I7-L106 HydrophobicContact CD1-CD2 4.49Å; I7-L106 HydrophobicContact CG1-CD1 4.27Å; I7-L106 HydrophobicContact CG2-CD1 3.5Å
8	A	29.7	Very low	28.7	Very low	20 Å²	20	60.8 Å²	60.8	17%	0.165	47%	0.474	C	S	.	.	H	α-helix	trans	-69.2	-40	172.1	0	0	0	0	0	112.7	A4 A10 K11 S102	A4-A8 WeakPolarHBondContact O-CB 3.35Å; A4-A8 PolarHBondContact O-N 3.35Å; A4-A8 VanDerWaalsContact O-N 3.11Å; A8-A10 PolarHBondContact O-N 2.94Å; A8-K11 PolarHBondContact O-N 3.11Å; A8-S102 WeakPolarHBondContact CB-OG 3.29Å
9	A	30.1	Very low	28.6	Very low	46 Å²	46	71.1 Å²	71.1	38%	0.38	50%	0.5	S	S	.	.	H	α-helix	trans	-70.4	-29	178	0	0	0	0	0	113.3	A5 A6 G12	A5-A9 WeakPolarHBondContact O-CB 3.4Å; A5-A9 PolarHBondContact O-N 3.33Å; A6-A9 PolarHBondContact O-N 3.43Å; A9-G12 PolarHBondContact O-N 3.28Å
10	A	29.2	Very low	28.7	Very low	70 Å²	70	73.2 Å²	73.2	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-71.4	-26	177.2	0	0	0	0	0	113.5	A6 A8	A6-A10 PolarHBondContact O-N 3.41Å; A8-A10 PolarHBondContact O-N 2.94Å
11	K	29.7	Very low	28.6	Very low	193 Å²	193	73.4 Å²	73.4	84%	0.839	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-2.2	173.6	-84.5	-174.2	174.8	-178.8	0	114	A8	A8-K11 PolarHBondContact O-N 3.11Å
12	G	28.9	Very low	28.5	Very low	63 Å²	63	76.6 Å²	76.6	65%	0.649	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	-12.2	-175.2	0	0	0	0	0	116.5	A9	A9-G12 PolarHBondContact O-N 3.28Å
13	N	29.2	Very low	28.7	Very low	130 Å²	130	80 Å²	80	70%	0.695	60%	0.604	S	S	*	*			trans	-137.2	60.6	-173.6	-151.9	67.5	0	0	0	112.7
14	G	27.7	Very low	28.8	Very low	87 Å²	87	86.9 Å²	86.9	90%	0.897	64%	0.639	S	S	*	*			trans	-100.2	89.6	162.6	0	0	0	0	0	109
15	G	26.7	Very low	29.1	Very low	72 Å²	72	91.3 Å²	91.3	74%	0.742	68%	0.676	S	S	*	*			trans	-140	104.5	177.6	0	0	0	0	0	111.2
16	G	26.5	Very low	29.1	Very low	93 Å²	93	95 Å²	95	96%	0.959	70%	0.7	S	S	*	*			trans	86.6	94.6	142	0	0	0	0	0	118.8
17	G	25.4	Very low	29.3	Very low	82 Å²	82	98.8 Å²	98.8	85%	0.845	74%	0.739	S	S	*	*			trans	-153.7	98.9	155.2	0	0	0	0	0	108.4
18	G	26.2	Very low	29.5	Very low	78 Å²	78	102.1 Å²	102.1	80%	0.804	76%	0.763	S	S	*	*			trans	-79.1	155.3	-161.2	0	0	0	0	0	116.6
19	R	27.1	Very low	29.7	Very low	257 Å²	257	112.5 Å²	112.5	97%	0.97	80%	0.798	S	S	*	*			trans	-158	140.1	142.2	-109.5	172.5	174.9	173.7	-2.1	109
20	A	31.8	Very low	30.2	Very low	113 Å²	113	119.8 Å²	119.8	93%	0.934	82%	0.821	S	S	*	*			trans	-64.7	149	-165	0	0	0	0	0	115.1
21	G	25.5	Very low	31.1	Very low	78 Å²	78	124.7 Å²	124.7	80%	0.804	83%	0.829	S	S	*	*			trans	171.1	129.2	170.2	0	0	0	0	0	110.7
22	A	29.1	Very low	32.3	Very low	108 Å²	108	125.2 Å²	125.2	89%	0.893	83%	0.831	S	S	*	*			trans	-69.5	151.5	-161.1	0	0	0	0	0	116.5
23	G	31.9	Very low	33.9	Very low	81 Å²	81	125 Å²	125	84%	0.835	83%	0.829	S	S	*	*			trans	69.4	96.1	148.7	0	0	0	0	0	118.5
24	D	28.8	Very low	36	Very low	157 Å²	157	120.8 Å²	120.8	84%	0.84	81%	0.809	S	S	*	*				-166.5	131	121.7	-146	-11.5	0	0	0	111	S26	D24-S26 PolarHBondContact O-N 3.31Å; D24-S26 VanDerWaalsContact O-N 3.13Å
25	A	36.2	Very low	38.7	Very low	104 Å²	104	118.5 Å²	118.5	86%	0.86	79%	0.785	S	S	*	*			trans	-84.7	80.8	-179.9	0	0	0	0	0	109.9
26	S	32.4	Very low	41.5	Very low	96 Å²	96	120.5 Å²	120.5	67%	0.671	79%	0.785	S	S	*	*			trans	-112.6	103.2	163.8	67.2	0	0	0	0	110	D24 T28	D24-S26 PolarHBondContact O-N 3.31Å; D24-S26 VanDerWaalsContact O-N 3.13Å; S26-T28 PolarHBondContact O-N 2.96Å
27	G	31.9	Very low	44.4	Very low	79 Å²	79	123.5 Å²	123.5	81%	0.814	78%	0.778	S	S	*	*			trans	-59	105.3	177.1	0	0	0	0	0	110.8	R29	G27-R29 VanDerWaalsContact C-N 3.34Å; G27-R29 PolarHBondContact O-N 3.27Å
28	T	34.6	Very low	47.3	Very low	137 Å²	137	120.8 Å²	120.8	84%	0.84	75%	0.748	S	S	*	*			trans	-65.1	96.1	165.6	30.3	0	0	0	0	107.9	S26 K30	S26-T28 PolarHBondContact O-N 2.96Å; T28-K30 VanDerWaalsContact C-N 3.32Å; T28-K30 PolarHBondContact O-N 2.99Å
29	R	35.8	Very low	50.1	Low	239 Å²	239	118.7 Å²	118.7	90%	0.902	72%	0.72	S	S	*	*			trans	-56.1	98.6	165.4	-93.4	-179.2	171.8	168.6	-1.9	107.5	G27 K31	G27-R29 VanDerWaalsContact C-N 3.34Å; G27-R29 PolarHBondContact O-N 3.27Å; R29-K31 PolarHBondContact O-N 3.34Å
30	K	40	Very low	53.1	Low	198 Å²	198	108.9 Å²	108.9	86%	0.861	69%	0.693	S	S	*	*			trans	-50.9	113.4	160.9	-87.2	-178.2	175.2	177.3	0	106.1	T28 K32	T28-K30 VanDerWaalsContact C-N 3.32Å; T28-K30 PolarHBondContact O-N 2.99Å; K30-K32 PolarHBondContact O-N 3.47Å
31	K	48.7	Very low	55.9	Low	174 Å²	174	108.4 Å²	108.4	76%	0.757	67%	0.668	S	S	*	*			trans	-56.4	108.2	174.4	-72.3	-176.1	177.2	-176.2	0	106.8	R29 G33	R29-K31 PolarHBondContact O-N 3.34Å; K31-G33 PolarHBondContact O-N 2.9Å
32	K	54.3	Low	59	Low	204 Å²	204	105.1 Å²	105.1	89%	0.887	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-57.4	126.6	173.1	-77.6	-177.3	175.4	-178.4	0	106.4	K30	K30-K32 PolarHBondContact O-N 3.47Å
33	G	62.6	Low	61.8	Low	58 Å²	58	101.2 Å²	101.2	60%	0.598	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-57.1	169.7	174.1	0	0	0	0	0	111.4	K31 G35	K31-G33 PolarHBondContact O-N 2.9Å; G33-G35 PolarHBondContact O-N 3.24Å
34	P	73.4	Confident	64.7	Low	41 Å²	41	102.5 Å²	102.5	27%	0.266	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-53.2	140.1	177.8	22.3	-32.1	0	0	0	110.6	A38 T39 L42 I99	P34-A38 HydrophobicContact CB-CB 3.84Å; P34-T39 PolarHBondContact O-OG1 3.17Å; P34-L42 HydrophobicContact CG-CD1 4.33Å; P34-I99 HydrophobicContact CB-CG2 3.73Å
35	G	83.2	Confident	67.7	Low	39 Å²	39	96 Å²	96	40%	0.402	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-57.9	164.7	175.7	0	0	0	0	0	111.9	G33 L37 A38 T39	G33-G35 PolarHBondContact O-N 3.24Å; G35-L37 VanDerWaalsContact C-N 3.28Å; G35-L37 PolarHBondContact O-N 3.46Å; G35-A38 PolarHBondContact O-N 2.92Å; G35-T39 PolarHBondContact O-N 3.4Å; G35-T39 PolarHBondContact O-OG1 3.01Å
36	P	85.2	Confident	70.4	Confident	115 Å²	115	91.5 Å²	91.5	75%	0.747	51%	0.509	S	S	*	.	H	α-helix	trans	-54.6	-41.3	-176.1	-27.5	35	0	0	0	113.8	T39 A40	P36-T39 WeakPolarHBondContact O-CB 3.35Å; P36-T39 PolarHBondContact O-N 3.07Å; P36-A40 PolarHBondContact O-N 3.29Å
37	L	88.1	Confident	73.2	Confident	156 Å²	156	90.4 Å²	90.4	82%	0.817	50%	0.498	S	S	*	.	H	α-helix	trans	-64.2	-42.8	176.4	-65.9	176.5	0	0	0	112.5	G35 T39 A40 Y41	G35-L37 VanDerWaalsContact C-N 3.28Å; G35-L37 PolarHBondContact O-N 3.46Å; L37-T39 VanDerWaalsContact C-N 3.32Å; L37-A40 PolarHBondContact O-N 3.12Å; L37-Y41 WeakPolarHBondContact O-CB 3.44Å; L37-Y41 PolarHBondContact O-N 2.97Å
38	A	85.9	Confident	76.2	Confident	25 Å²	25	90.5 Å²	90.5	21%	0.207	48%	0.483	C	S	.	.	H	α-helix	trans	-68.2	-35.3	177.8	0	0	0	0	0	111.5	P34 G35 L42 I99	P34-A38 HydrophobicContact CB-CB 3.84Å; G35-A38 PolarHBondContact O-N 2.92Å; A38-L42 WeakPolarHBondContact O-CB 3.43Å; A38-L42 VanDerWaalsContact O-CG 3.26Å; A38-L42 WeakPolarHBondContact O-CG 3.47Å; A38-L42 PolarHBondContact O-N 2.81Å; A38-I99 HydrophobicContact CB-CG2 3.76Å
39	T	85.4	Confident	78.9	Confident	34 Å²	34	84.3 Å²	84.3	21%	0.209	44%	0.444	C	S	.	.	H	α-helix	trans	-63.8	-47.8	172.8	-59.7	0	0	0	0	111.1	P34 G35 P36 L37 Y41 L42 V43 L156	P34-T39 PolarHBondContact O-OG1 3.17Å; G35-T39 PolarHBondContact O-N 3.4Å; G35-T39 PolarHBondContact O-OG1 3.01Å; P36-T39 WeakPolarHBondContact O-CB 3.35Å; P36-T39 PolarHBondContact O-N 3.07Å; L37-T39 VanDerWaalsContact C-N 3.32Å; T39-Y41 PolarHBondContact O-N 3.18Å; T39-L42 PolarHBondContact O-N 3.18Å; T39-V43 WeakPolarHBondContact O-CG2 3.36Å; T39-V43 PolarHBondContact O-N 3.09Å; T39-L156 HydrophobicContact CG2-CB 4.25Å; T39-L156 HydrophobicContact CG2-CD2 4.38Å
40	A	89.3	Confident	81.7	Confident	50 Å²	50	73.7 Å²	73.7	41%	0.413	41%	0.406	S	S	.	.	H	α-helix	trans	-60.1	-45.6	177	0	0	0	0	0	111.9	P36 L37 L42 V43 I44	P36-A40 PolarHBondContact O-N 3.29Å; L37-A40 PolarHBondContact O-N 3.12Å; A40-L42 PolarHBondContact O-N 2.72Å; A40-V43 PolarHBondContact O-N 3.5Å; A40-I44 WeakPolarHBondContact O-CG1 3.21Å; A40-I44 PolarHBondContact O-N 3.05Å
41	Y	92.1	Very high	84.2	Confident	104 Å²	104	66.6 Å²	66.6	41%	0.408	38%	0.384	S	S	.	.	H	α-helix	trans	-58.6	-47.3	174.6	166.3	-96.9	0	0	0	112.3	L37 T39 V43 I44 Y45 H94	L37-Y41 WeakPolarHBondContact O-CB 3.44Å; L37-Y41 PolarHBondContact O-N 2.97Å; T39-Y41 PolarHBondContact O-N 3.18Å; Y41-V43 VanDerWaalsContact C-N 3.33Å; Y41-V43 PolarHBondContact O-N 3.37Å; Y41-I44 PolarHBondContact O-N 3.35Å; Y41-Y45 WeakPolarHBondContact O-CB 3.46Å; Y41-Y45 PolarHBondContact O-N 2.91Å; Y41-H94 AromaticContact CE1-CD2 3.85Å; Y41-H94 AromaticContact CE1-CE1 3.98Å; Y41-H94 AromaticContact CE1-NE2 3.3Å; Y41-H94 VanDerWaalsContact CE1-NE2 3.3Å; Y41-H94 WeakPolarHBondContact CE1-NE2 3.45Å; Y41-H94 AromaticContact CZ-NE2 3.58Å; Y41-H94 PolarHBondContact OH-NE2 3.12Å
42	L	89.4	Confident	86.3	Confident	8 Å²	8	58.4 Å²	58.4	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-63.9	-38.2	178.5	-75.5	176.5	0	0	0	112	P34 A38 T39 A40 Y45 N46 H94 I99 V100 L156	P34-L42 HydrophobicContact CG-CD1 4.33Å; A38-L42 WeakPolarHBondContact O-CB 3.43Å; A38-L42 VanDerWaalsContact O-CG 3.26Å; A38-L42 WeakPolarHBondContact O-CG 3.47Å; A38-L42 PolarHBondContact O-N 2.81Å; T39-L42 PolarHBondContact O-N 3.18Å; A40-L42 PolarHBondContact O-N 2.72Å; L42-Y45 PolarHBondContact O-N 3.13Å; L42-N46 WeakPolarHBondContact O-CB 3.42Å; L42-N46 VanDerWaalsContact O-CG 3.24Å; L42-N46 PolarHBondContact O-N 3.27Å; L42-N46 PolarHBondContact O-ND2 3.21Å; L42-H94 HydrophobicContact CD2-CB 4.48Å; L42-I99 HydrophobicContact CD1-CG2 3.72Å; L42-I99 HydrophobicContact CG-CG2 4.23Å; L42-V100 HydrophobicContact CD1-CG2 4Å; L42-V100 HydrophobicContact CD2-CG2 4.12Å; L42-L156 HydrophobicContact CB-CD1 3.56Å; L42-L156 HydrophobicContact CD1-CD1 4.32Å; L42-L156 HydrophobicContact CD1-CD2 4.44Å
43	V	89.1	Confident	88.2	Confident	26 Å²	26	48.7 Å²	48.7	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-50.4	174	165.1	0	0	0	0	110.2	T39 A40 Y41 Y45 N46 V47 T153 L156 L157	T39-V43 WeakPolarHBondContact O-CG2 3.36Å; T39-V43 PolarHBondContact O-N 3.09Å; A40-V43 PolarHBondContact O-N 3.5Å; Y41-V43 VanDerWaalsContact C-N 3.33Å; Y41-V43 PolarHBondContact O-N 3.37Å; V43-Y45 VanDerWaalsContact C-N 3.34Å; V43-Y45 PolarHBondContact O-N 3.05Å; V43-N46 PolarHBondContact O-N 3.14Å; V43-V47 HydrophobicContact CG1-CG2 4.44Å; V43-V47 WeakPolarHBondContact O-CB 3.38Å; V43-V47 VanDerWaalsContact O-CG2 3.29Å; V43-V47 WeakPolarHBondContact O-CG2 3.23Å; V43-V47 PolarHBondContact O-N 3.41Å; V43-T153 HydrophobicContact CG1-CG2 4.22Å; V43-L156 HydrophobicContact CG2-CB 3.83Å; V43-L156 HydrophobicContact CG2-CD1 4.11Å; V43-L157 HydrophobicContact CG1-CD2 4.43Å; V43-L157 HydrophobicContact CG2-CD2 4.03Å; V43-L157 HydrophobicContact CG2-CG 4.28Å
44	I	92.3	Very high	89.7	Confident	109 Å²	109	50 Å²	50	56%	0.559	30%	0.3	S	S	*	.	H	α-helix	trans	-58.8	-47.3	178.2	-66.6	164.5	0	0	0	110.5	A40 Y41 N46 V47 V48	A40-I44 WeakPolarHBondContact O-CG1 3.21Å; A40-I44 PolarHBondContact O-N 3.05Å; Y41-I44 PolarHBondContact O-N 3.35Å; I44-N46 PolarHBondContact O-N 3.35Å; I44-V47 PolarHBondContact O-N 3.35Å; I44-V48 HydrophobicContact CG2-CG2 4.32Å; I44-V48 VanDerWaalsContact O-CG2 3.32Å; I44-V48 WeakPolarHBondContact O-CG2 3.13Å; I44-V48 PolarHBondContact O-N 2.97Å
45	Y	92.3	Very high	90.6	Very high	21 Å²	21	52.4 Å²	52.4	8%	0.082	31%	0.313	C	S	.	.	H	α-helix	trans	-56.2	-51.4	177.3	173.2	-97.7	0	0	0	111.7	Y41 L42 V43 V47 V48 M49 G87 L90 E91 H94 Y149	Y41-Y45 WeakPolarHBondContact O-CB 3.46Å; Y41-Y45 PolarHBondContact O-N 2.91Å; L42-Y45 PolarHBondContact O-N 3.13Å; V43-Y45 VanDerWaalsContact C-N 3.34Å; V43-Y45 PolarHBondContact O-N 3.05Å; Y45-V47 VanDerWaalsContact C-N 3.31Å; Y45-V47 PolarHBondContact O-N 2.99Å; Y45-V48 PolarHBondContact O-N 3.47Å; Y45-M49 HydrophobicContact CD1-CG 4.28Å; Y45-M49 HydrophobicContact CD2-CG 4.33Å; Y45-M49 HydrophobicContact CE1-CG 3.85Å; Y45-M49 HydrophobicContact CE2-CG 3.9Å; Y45-M49 HydrophobicContact CE2-SD 4.19Å; Y45-M49 WeakPolarHBondContact O-CB 3.31Å; Y45-M49 VanDerWaalsContact O-CG 3.29Å; Y45-M49 WeakPolarHBondContact O-CG 3.39Å; Y45-M49 PolarHBondContact O-N 3.42Å; Y45-G87 PolarHBondContact OH-O 3.17Å; Y45-L90 HydrophobicContact CD2-CD1 4.39Å; Y45-L90 HydrophobicContact CE2-CB 3.97Å; Y45-L90 HydrophobicContact CE2-CD1 3.88Å; Y45-E91 HydrophobicContact CE1-CG 4.15Å; Y45-H94 AromaticContact CD1-CE1 3.85Å; Y45-H94 AromaticContact CE1-CE1 3.91Å; Y45-H94 AromaticContact CG-CE1 3.94Å; Y45-Y149 HydrophobicContact CE1-CE1 4.13Å
46	N	91.8	Very high	91	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.043	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-35.4	-179.5	-69.9	-54	0	0	0	112.1	L42 V43 I44 T50 Y149 T153	L42-N46 WeakPolarHBondContact O-CB 3.42Å; L42-N46 VanDerWaalsContact O-CG 3.24Å; L42-N46 PolarHBondContact O-N 3.27Å; L42-N46 PolarHBondContact O-ND2 3.21Å; V43-N46 PolarHBondContact O-N 3.14Å; I44-N46 PolarHBondContact O-N 3.35Å; N46-T50 WeakPolarHBondContact O-CB 3.36Å; N46-T50 PolarHBondContact O-N 2.85Å; N46-T50 PolarHBondContact O-OG1 3.01Å; N46-Y149 HydrophobicContact CB-CD1 4.49Å; N46-Y149 WeakPolarHBondContact OD1-CD1 3.25Å; N46-T153 WeakPolarHBondContact CB-OG1 3.27Å
47	V	92.2	Very high	91.3	Very high	73 Å²	73	46.2 Å²	46.2	44%	0.442	27%	0.268	S	S	.	.	H	α-helix	trans	-66.3	-46.4	175.4	169	0	0	0	0	111	V43 I44 Y45 M49 T50 A51 T153	V43-V47 HydrophobicContact CG1-CG2 4.44Å; V43-V47 WeakPolarHBondContact O-CB 3.38Å; V43-V47 VanDerWaalsContact O-CG2 3.29Å; V43-V47 WeakPolarHBondContact O-CG2 3.23Å; V43-V47 PolarHBondContact O-N 3.41Å; I44-V47 PolarHBondContact O-N 3.35Å; Y45-V47 VanDerWaalsContact C-N 3.31Å; Y45-V47 PolarHBondContact O-N 2.99Å; V47-M49 VanDerWaalsContact C-N 3.33Å; V47-M49 PolarHBondContact O-N 3.44Å; V47-T50 PolarHBondContact O-N 3.23Å; V47-A51 WeakPolarHBondContact O-CB 3.26Å; V47-A51 PolarHBondContact O-N 3.45Å; V47-T153 HydrophobicContact CG2-CG2 3.78Å
48	V	94.7	Very high	91.4	Very high	82 Å²	82	42 Å²	42	50%	0.497	25%	0.249	S	C	.	.	H	α-helix	trans	-60.6	-44.2	176.2	170.3	0	0	0	0	110.7	I44 Y45 A51 G52	I44-V48 HydrophobicContact CG2-CG2 4.32Å; I44-V48 VanDerWaalsContact O-CG2 3.32Å; I44-V48 WeakPolarHBondContact O-CG2 3.13Å; I44-V48 PolarHBondContact O-N 2.97Å; Y45-V48 PolarHBondContact O-N 3.47Å; V48-A51 PolarHBondContact O-N 3.39Å; V48-G52 PolarHBondContact O-N 2.91Å
49	M	92.3	Very high	91.5	Very high	6 Å²	6	42 Å²	42	3%	0.03	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-45.8	175.5	-70.1	-57.1	-71.8	0	0	111.4	Y45 V47 A51 G52 W53 F84 Y149	Y45-M49 HydrophobicContact CD1-CG 4.28Å; Y45-M49 HydrophobicContact CD2-CG 4.33Å; Y45-M49 HydrophobicContact CE1-CG 3.85Å; Y45-M49 HydrophobicContact CE2-CG 3.9Å; Y45-M49 HydrophobicContact CE2-SD 4.19Å; Y45-M49 WeakPolarHBondContact O-CB 3.31Å; Y45-M49 VanDerWaalsContact O-CG 3.29Å; Y45-M49 WeakPolarHBondContact O-CG 3.39Å; Y45-M49 PolarHBondContact O-N 3.42Å; V47-M49 VanDerWaalsContact C-N 3.33Å; V47-M49 PolarHBondContact O-N 3.44Å; M49-A51 PolarHBondContact O-N 2.84Å; M49-G52 PolarHBondContact O-N 3.43Å; M49-W53 PolarHBondContact O-N 3.2Å; M49-F84 HydrophobicContact CE-CB 4.24Å; M49-F84 HydrophobicContact CE-CD1 4.39Å; M49-F84 VanDerWaalsContact CE-O 3.28Å; M49-F84 WeakPolarHBondContact CE-O 3.32Å; M49-F84 HydrophobicContact SD-CD1 3.93Å; M49-Y149 HydrophobicContact CB-CD1 3.79Å; M49-Y149 HydrophobicContact CB-CD2 3.68Å; M49-Y149 HydrophobicContact CB-CE1 3.81Å; M49-Y149 HydrophobicContact CB-CE2 3.72Å; M49-Y149 HydrophobicContact CB-CG 3.72Å; M49-Y149 HydrophobicContact CE-CE1 4.42Å; M49-Y149 HydrophobicContact CE-CE2 3.87Å; M49-Y149 WeakPolarHBondContact CE-OH 3.36Å; M49-Y149 HydrophobicContact CG-CD1 4.32Å; M49-Y149 HydrophobicContact CG-CE1 3.93Å; M49-Y149 HydrophobicContact CG-CE2 4.35Å
50	T	93.1	Very high	91.7	Very high	17 Å²	17	41.4 Å²	41.4	10%	0.104	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-46.4	177.2	-54.6	0	0	0	0	111.4	N46 V47 G52 W53 L54 I146 Y149	N46-T50 WeakPolarHBondContact O-CB 3.36Å; N46-T50 PolarHBondContact O-N 2.85Å; N46-T50 PolarHBondContact O-OG1 3.01Å; V47-T50 PolarHBondContact O-N 3.23Å; T50-G52 VanDerWaalsContact C-N 3.3Å; T50-G52 PolarHBondContact O-N 3.39Å; T50-W53 PolarHBondContact O-N 2.91Å; T50-L54 HydrophobicContact CG2-CD1 4.18Å; T50-L54 WeakPolarHBondContact O-CB 3.45Å; T50-L54 WeakPolarHBondContact O-CG 3.33Å; T50-L54 PolarHBondContact O-N 3.02Å; T50-I146 HydrophobicContact CG2-CG2 4.3Å; T50-Y149 WeakPolarHBondContact OG1-CB 3.17Å
51	A	93.9	Very high	91.6	Very high	49 Å²	49	43 Å²	43	41%	0.405	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-40.4	176.9	0	0	0	0	0	111.7	V47 V48 M49 L54 V55	V47-A51 WeakPolarHBondContact O-CB 3.26Å; V47-A51 PolarHBondContact O-N 3.45Å; V48-A51 PolarHBondContact O-N 3.39Å; M49-A51 PolarHBondContact O-N 2.84Å; A51-L54 WeakPolarHBondContact O-CB 3.42Å; A51-L54 PolarHBondContact O-N 2.61Å; A51-V55 WeakPolarHBondContact O-CG2 3.2Å; A51-V55 PolarHBondContact O-N 3.46Å
52	G	92.8	Very high	91.2	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-48.5	175.1	0	0	0	0	0	114	V48 M49 T50 L54 V55 I56 F84	V48-G52 PolarHBondContact O-N 2.91Å; M49-G52 PolarHBondContact O-N 3.43Å; T50-G52 VanDerWaalsContact C-N 3.3Å; T50-G52 PolarHBondContact O-N 3.39Å; G52-L54 VanDerWaalsContact C-N 3.32Å; G52-L54 PolarHBondContact O-N 2.87Å; G52-V55 WeakPolarHBondContact O-CB 3.45Å; G52-V55 PolarHBondContact O-N 3.3Å; G52-I56 PolarHBondContact O-N 2.96Å; G52-F84 VanDerWaalsContact CA-CE1 3.47Å
53	W	93.4	Very high	90.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.5	-30.5	176	-71.2	105.1	0	0	0	112.6	M49 T50 I56 A57 L81 F84 W141 T142 E145 I146 Y149	M49-W53 PolarHBondContact O-N 3.2Å; T50-W53 PolarHBondContact O-N 2.91Å; W53-I56 HydrophobicContact CD2-CD1 4.22Å; W53-I56 HydrophobicContact CE3-CD1 3.66Å; W53-I56 HydrophobicContact CZ3-CD1 3.93Å; W53-I56 PolarHBondContact O-N 2.99Å; W53-A57 PolarHBondContact O-N 3.38Å; W53-L81 HydrophobicContact CH2-CD1 3.7Å; W53-L81 HydrophobicContact CZ3-CD1 3.68Å; W53-F84 HydrophobicContact CZ2-CB 4.43Å; W53-W141 HydrophobicContact CZ3-CB 4.45Å; W53-T142 HydrophobicContact CE3-CG2 4.43Å; W53-T142 WeakPolarHBondContact O-CG2 3.43Å; W53-E145 HydrophobicContact CB-CB 4.4Å; W53-E145 HydrophobicContact CD2-CB 3.58Å; W53-E145 HydrophobicContact CD2-CG 3.94Å; W53-E145 HydrophobicContact CE3-CB 4.18Å; W53-E145 HydrophobicContact CE3-CG 4.33Å; W53-E145 HydrophobicContact CG-CB 3.65Å; W53-E145 HydrophobicContact CG-CG 4.47Å; W53-E145 HydrophobicContact CH2-CG 4.06Å; W53-E145 HydrophobicContact CZ2-CB 4.24Å; W53-E145 HydrophobicContact CZ2-CG 3.65Å; W53-E145 HydrophobicContact CZ3-CG 4.38Å; W53-I146 HydrophobicContact CB-CD1 4.42Å; W53-I146 HydrophobicContact CB-CG1 3.68Å; W53-Y149 AromaticContact CD1-CD2 3.83Å; W53-Y149 AromaticContact CD1-CE2 3.63Å; W53-Y149 AromaticContact NE1-CE2 3.46Å
54	L	93.8	Very high	90.2	Very high	84 Å²	84	54.1 Å²	54.1	44%	0.44	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-38.1	170.9	-77.1	168.6	0	0	0	112.3	T50 A51 G52 I56 A57 V58 I146	T50-L54 HydrophobicContact CG2-CD1 4.18Å; T50-L54 WeakPolarHBondContact O-CB 3.45Å; T50-L54 WeakPolarHBondContact O-CG 3.33Å; T50-L54 PolarHBondContact O-N 3.02Å; A51-L54 WeakPolarHBondContact O-CB 3.42Å; A51-L54 PolarHBondContact O-N 2.61Å; G52-L54 VanDerWaalsContact C-N 3.32Å; G52-L54 PolarHBondContact O-N 2.87Å; L54-I56 VanDerWaalsContact C-N 3.31Å; L54-I56 PolarHBondContact O-N 2.75Å; L54-A57 WeakPolarHBondContact O-CB 3.33Å; L54-A57 PolarHBondContact O-N 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.36Å; L54-V58 PolarHBondContact O-N 2.93Å; L54-I146 HydrophobicContact CD2-CD1 3.87Å; L54-I146 HydrophobicContact CD2-CG1 4.43Å; L54-I146 HydrophobicContact CD2-CG2 4.45Å; L54-I146 HydrophobicContact CG-CD1 4.24Å; L54-I146 HydrophobicContact CG-CG1 4.37Å
55	V	92.4	Very high	89.7	Confident	92 Å²	92	54.9 Å²	54.9	56%	0.558	30%	0.301	S	S	*	.	H	α-helix	trans	-60.9	-42.7	173.6	170.4	0	0	0	0	110.7	A51 G52 V58 G59	A51-V55 WeakPolarHBondContact O-CG2 3.2Å; A51-V55 PolarHBondContact O-N 3.46Å; G52-V55 WeakPolarHBondContact O-CB 3.45Å; G52-V55 PolarHBondContact O-N 3.3Å; V55-V58 PolarHBondContact O-N 3.5Å; V55-G59 PolarHBondContact O-N 3.38Å
56	I	91.6	Very high	89	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-45.1	174.5	-62.3	169	0	0	0	110.3	G52 W53 L54 V58 G59 L60 I77 P80 L81 F84 V138 T142	G52-I56 PolarHBondContact O-N 2.96Å; W53-I56 HydrophobicContact CD2-CD1 4.22Å; W53-I56 HydrophobicContact CE3-CD1 3.66Å; W53-I56 HydrophobicContact CZ3-CD1 3.93Å; W53-I56 PolarHBondContact O-N 2.99Å; L54-I56 VanDerWaalsContact C-N 3.31Å; L54-I56 PolarHBondContact O-N 2.75Å; I56-V58 PolarHBondContact O-N 2.94Å; I56-G59 WeakPolarHBondContact O-CA 3.5Å; I56-G59 PolarHBondContact O-N 2.94Å; I56-G59 VanDerWaalsContact O-N 3.12Å; I56-L60 HydrophobicContact CG2-CD1 4.27Å; I56-L60 WeakPolarHBondContact O-CG 3.24Å; I56-L60 PolarHBondContact O-N 3.35Å; I56-I77 HydrophobicContact CG2-CB 4.5Å; I56-I77 HydrophobicContact CG2-CG2 4.48Å; I56-P80 HydrophobicContact CD1-CB 4.39Å; I56-P80 HydrophobicContact CG1-CB 3.98Å; I56-P80 HydrophobicContact CG1-CG 4.22Å; I56-L81 HydrophobicContact CD1-CB 4.34Å; I56-L81 HydrophobicContact CD1-CD1 4.41Å; I56-F84 HydrophobicContact CD1-CD2 4.17Å; I56-V138 HydrophobicContact CG2-CG1 4.5Å; I56-T142 HydrophobicContact CG2-CG2 4.4Å
57	A	92.2	Very high	87.4	Confident	23 Å²	23	66.4 Å²	66.4	19%	0.19	37%	0.366	C	S	.	.	H	α-helix	trans	-59	-44.9	177.5	0	0	0	0	0	112.5	W53 L54 G59 L60 V61 T142 I146	W53-A57 PolarHBondContact O-N 3.38Å; L54-A57 WeakPolarHBondContact O-CB 3.33Å; L54-A57 PolarHBondContact O-N 3.27Å; A57-G59 VanDerWaalsContact C-N 3.31Å; A57-G59 PolarHBondContact O-N 2.92Å; A57-L60 WeakPolarHBondContact O-CB 3.34Å; A57-L60 PolarHBondContact O-N 3.23Å; A57-V61 WeakPolarHBondContact O-CG2 3.24Å; A57-V61 PolarHBondContact O-N 3.33Å; A57-T142 HydrophobicContact CB-CG2 3.67Å; A57-I146 HydrophobicContact CB-CD1 4.07Å
58	V	90.4	Very high	85.7	Confident	69 Å²	69	66.3 Å²	66.3	42%	0.418	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-40.1	175.7	171.4	0	0	0	0	110.7	L54 V55 I56 V61 R62	L54-V58 WeakPolarHBondContact O-CG2 3.36Å; L54-V58 PolarHBondContact O-N 2.93Å; V55-V58 PolarHBondContact O-N 3.5Å; I56-V58 PolarHBondContact O-N 2.94Å; V58-V61 PolarHBondContact O-N 3.01Å; V58-R62 HydrophobicContact CG1-CG 4.28Å; V58-R62 WeakPolarHBondContact O-CB 3.44Å; V58-R62 VanDerWaalsContact O-CG 3.29Å; V58-R62 WeakPolarHBondContact O-CG 3.41Å; V58-R62 PolarHBondContact O-N 3.02Å
59	G	88	Confident	83.8	Confident	24 Å²	24	66 Å²	66	25%	0.247	38%	0.381	C	S	.	.	H	α-helix	trans	-58.1	-46.4	173.2	0	0	0	0	0	112.7	V55 I56 A57 R62 A63	V55-G59 PolarHBondContact O-N 3.38Å; I56-G59 WeakPolarHBondContact O-CA 3.5Å; I56-G59 PolarHBondContact O-N 2.94Å; I56-G59 VanDerWaalsContact O-N 3.12Å; A57-G59 VanDerWaalsContact C-N 3.31Å; A57-G59 PolarHBondContact O-N 2.92Å; G59-R62 PolarHBondContact O-N 3.34Å; G59-A63 WeakPolarHBondContact O-CB 3.39Å; G59-A63 PolarHBondContact O-N 3.48Å
60	L	87.9	Confident	82	Confident	21 Å²	21	71.8 Å²	71.8	11%	0.11	40%	0.404	C	S	.	.	H	α-helix	trans	-60.8	-46.8	176.3	-67.3	168.1	0	0	0	112	I56 A57 A63 Y64 L73 I77 V138 I139 T142	I56-L60 HydrophobicContact CG2-CD1 4.27Å; I56-L60 WeakPolarHBondContact O-CG 3.24Å; I56-L60 PolarHBondContact O-N 3.35Å; A57-L60 WeakPolarHBondContact O-CB 3.34Å; A57-L60 PolarHBondContact O-N 3.23Å; L60-A63 PolarHBondContact O-N 3.32Å; L60-Y64 WeakPolarHBondContact O-CB 3.04Å; L60-Y64 PolarHBondContact O-N 3.4Å; L60-L73 HydrophobicContact CD2-CD1 4.28Å; L60-L73 HydrophobicContact CD2-CD2 4.12Å; L60-L73 HydrophobicContact CD2-CG 4.4Å; L60-I77 HydrophobicContact CD2-CD1 3.99Å; L60-V138 HydrophobicContact CD1-CG1 4.05Å; L60-V138 HydrophobicContact CD2-CG1 4.07Å; L60-I139 HydrophobicContact CD1-CG1 4.08Å; L60-I139 HydrophobicContact CD2-CG1 4.5Å; L60-T142 HydrophobicContact CD1-CG2 4.41Å
61	V	87.5	Confident	80.3	Confident	83 Å²	83	76.6 Å²	76.6	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-64.9	-44.7	179.8	172.4	0	0	0	0	111.3	A57 V58 A63 Y64 L65	A57-V61 WeakPolarHBondContact O-CG2 3.24Å; A57-V61 PolarHBondContact O-N 3.33Å; V58-V61 PolarHBondContact O-N 3.01Å; V61-A63 VanDerWaalsContact C-N 3.32Å; V61-A63 PolarHBondContact O-N 3.36Å; V61-Y64 PolarHBondContact O-N 2.68Å; V61-L65 HydrophobicContact CG1-CD1 3.91Å; V61-L65 HydrophobicContact CG1-CG 4.35Å; V61-L65 WeakPolarHBondContact O-CG 3.3Å; V61-L65 PolarHBondContact O-N 3.31Å
62	R	84.8	Confident	78.7	Confident	181 Å²	181	77.4 Å²	77.4	68%	0.683	43%	0.427	S	S	*	.	H	α-helix	trans	-59.7	-43.7	177.8	-76.9	178.3	179.4	-179.3	0.9	111.6	V58 G59 L65 A66	V58-R62 HydrophobicContact CG1-CG 4.28Å; V58-R62 WeakPolarHBondContact O-CB 3.44Å; V58-R62 VanDerWaalsContact O-CG 3.29Å; V58-R62 WeakPolarHBondContact O-CG 3.41Å; V58-R62 PolarHBondContact O-N 3.02Å; G59-R62 PolarHBondContact O-N 3.34Å; R62-L65 PolarHBondContact O-N 3.44Å; R62-A66 VanDerWaalsContact O-CB 3.27Å; R62-A66 WeakPolarHBondContact O-CB 3.34Å; R62-A66 PolarHBondContact O-N 3.19Å
63	A	78.8	Confident	77.7	Confident	32 Å²	32	77.8 Å²	77.8	26%	0.264	43%	0.429	S	S	.	.	H	α-helix	trans	-67.6	-37.5	178.8	0	0	0	0	0	112.7	G59 L60 V61 A66 L73	G59-A63 WeakPolarHBondContact O-CB 3.39Å; G59-A63 PolarHBondContact O-N 3.48Å; L60-A63 PolarHBondContact O-N 3.32Å; V61-A63 VanDerWaalsContact C-N 3.32Å; V61-A63 PolarHBondContact O-N 3.36Å; A63-A66 PolarHBondContact O-N 2.95Å; A63-L73 HydrophobicContact CB-CB 4.14Å; A63-L73 HydrophobicContact CB-CD1 3.25Å; A63-L73 HydrophobicContact CB-CD2 3.75Å; A63-L73 HydrophobicContact CB-CG 3.88Å
64	Y	79	Confident	76.8	Confident	160 Å²	160	78 Å²	78	63%	0.627	43%	0.43	S	S	*	.	H	α-helix	trans	-62	-44	173.1	-178.5	-101.1	0	0	0	112	L60 V61	L60-Y64 WeakPolarHBondContact O-CB 3.04Å; L60-Y64 PolarHBondContact O-N 3.4Å; V61-Y64 PolarHBondContact O-N 2.68Å
65	L	81	Confident	75.9	Confident	125 Å²	125	79.9 Å²	79.9	65%	0.654	43%	0.432	S	S	*	.	H	α-helix	trans	-70.3	-30	178.8	-67.8	175.3	0	0	0	113.1	V61 R62 K67	V61-L65 HydrophobicContact CG1-CD1 3.91Å; V61-L65 HydrophobicContact CG1-CG 4.35Å; V61-L65 WeakPolarHBondContact O-CG 3.3Å; V61-L65 PolarHBondContact O-N 3.31Å; R62-L65 PolarHBondContact O-N 3.44Å; L65-K67 PolarHBondContact O-N 3.35Å; L65-K67 VanDerWaalsContact O-N 3.15Å
66	A	77.4	Confident	75.2	Confident	80 Å²	80	79.4 Å²	79.4	66%	0.661	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	4.6	-178.1	0	0	0	0	0	114.8	R62 A63	R62-A66 VanDerWaalsContact O-CB 3.27Å; R62-A66 WeakPolarHBondContact O-CB 3.34Å; R62-A66 PolarHBondContact O-N 3.19Å; A63-A66 PolarHBondContact O-N 2.95Å
67	K	59.4	Low	74.8	Confident	191 Å²	191	79.6 Å²	79.6	83%	0.83	43%	0.434	S	S	*	.			trans	29.4	88.9	174.8	-76	-171.3	177.5	-177.7	0	114.5	L65	L65-K67 PolarHBondContact O-N 3.35Å; L65-K67 VanDerWaalsContact O-N 3.15Å
68	G	56.1	Low	74.5	Confident	71 Å²	71	79.7 Å²	79.7	73%	0.732	43%	0.43	S	S	*	.	S	Bend	trans	154.5	-10.6	154.3	0	0	0	0	0	119.8
69	S	55.1	Low	74.3	Confident	75 Å²	75	84.2 Å²	84.2	52%	0.524	44%	0.444	S	S	.	.			trans	-141.6	83.7	178.1	-165.9	0	0	0	0	112.6	H71 S72	S69-H71 PolarHBondContact O-N 3.09Å; S69-S72 PolarHBondContact O-N 3.07Å
70	Y	54.2	Low	74.3	Confident	128 Å²	128	84.6 Å²	84.6	50%	0.502	44%	0.442	S	S	.	.	H	α-helix	trans	-60	-28.8	168.2	-61.8	-72.6	0	0	0	111.7	S72 L73 L135	Y70-S72 VanDerWaalsContact C-N 3.28Å; Y70-S72 PolarHBondContact O-N 3.33Å; Y70-L73 WeakPolarHBondContact O-CB 3.28Å; Y70-L73 PolarHBondContact O-N 3.46Å; Y70-L73 VanDerWaalsContact O-N 3.11Å; Y70-L135 HydrophobicContact CD1-CD1 3.96Å
71	H	56.3	Low	74.4	Confident	118 Å²	118	83.6 Å²	83.6	55%	0.546	44%	0.437	S	S	.	.	H	α-helix	trans	-62.6	-27.9	177.6	-76.8	-27.5	0	0	0	114.3	S69 Y75 S130	S69-H71 PolarHBondContact O-N 3.09Å; H71-Y75 VanDerWaalsContact O-CD2 3.22Å; H71-Y75 WeakPolarHBondContact O-CD2 3.42Å; H71-Y75 WeakPolarHBondContact O-CE2 3.35Å; H71-S130 WeakPolarHBondContact ND1-CB 3.34Å
72	S	61.9	Low	74.5	Confident	65 Å²	65	80.7 Å²	80.7	46%	0.455	42%	0.418	S	S	.	.	H	α-helix	trans	-89.6	-13.9	176.1	-172.4	0	0	0	0	113.4	S69 Y70 Y75 S76	S69-S72 PolarHBondContact O-N 3.07Å; Y70-S72 VanDerWaalsContact C-N 3.28Å; Y70-S72 PolarHBondContact O-N 3.33Å; S72-Y75 PolarHBondContact O-N 3.48Å; S72-S76 PolarHBondContact O-N 3.15Å; S72-S76 PolarHBondContact O-OG 2.88Å
73	L	71.7	Confident	74.9	Confident	11 Å²	11	79 Å²	79	6%	0.058	42%	0.416	C	S	.	.	H	α-helix	trans	-63.1	-52.3	-175.6	174.8	47.1	0	0	0	110.9	L60 A63 Y70 Y75 S76 I77 L135	L60-L73 HydrophobicContact CD2-CD1 4.28Å; L60-L73 HydrophobicContact CD2-CD2 4.12Å; L60-L73 HydrophobicContact CD2-CG 4.4Å; A63-L73 HydrophobicContact CB-CB 4.14Å; A63-L73 HydrophobicContact CB-CD1 3.25Å; A63-L73 HydrophobicContact CB-CD2 3.75Å; A63-L73 HydrophobicContact CB-CG 3.88Å; Y70-L73 WeakPolarHBondContact O-CB 3.28Å; Y70-L73 PolarHBondContact O-N 3.46Å; Y70-L73 VanDerWaalsContact O-N 3.11Å; L73-Y75 VanDerWaalsContact C-N 3.29Å; L73-Y75 PolarHBondContact O-N 2.94Å; L73-S76 WeakPolarHBondContact O-CB 3.37Å; L73-S76 PolarHBondContact O-N 2.98Å; L73-I77 HydrophobicContact CD1-CG2 4.04Å; L73-I77 WeakPolarHBondContact O-CG1 3.48Å; L73-I77 PolarHBondContact O-N 3.35Å; L73-L135 HydrophobicContact CD2-CD1 4.38Å; L73-L135 HydrophobicContact CD2-CD2 3.56Å; L73-L135 HydrophobicContact CG-CD2 3.98Å
74	Y	74.1	Confident	75.5	Confident	4 Å²	4	78.9 Å²	78.9	2%	0.016	41%	0.409	C	S	.	.	H	α-helix	trans	-56.5	-44	-179.1	-173.6	-95.4	0	0	0	111.7	S76 I77 E78 L81 T122 Q129 V134	Y74-S76 PolarHBondContact O-N 3.37Å; Y74-I77 HydrophobicContact CD2-CD1 4.45Å; Y74-I77 CarbonylContact O-C 3.55Å; Y74-I77 WeakPolarHBondContact O-CG1 3.48Å; Y74-I77 PolarHBondContact O-N 2.87Å; Y74-E78 HydrophobicContact CD1-CB 3.95Å; Y74-E78 HydrophobicContact CD1-CG 4.3Å; Y74-E78 HydrophobicContact CE1-CB 3.64Å; Y74-E78 HydrophobicContact CE1-CG 3.52Å; Y74-E78 WeakPolarHBondContact O-CA 3.15Å; Y74-E78 WeakPolarHBondContact O-CB 3.43Å; Y74-E78 PolarHBondContact O-N 3.21Å; Y74-L81 HydrophobicContact CE2-CD2 4.29Å; Y74-T122 WeakPolarHBondContact OH-CB 3.36Å; Y74-T122 PolarHBondContact OH-OG1 3.36Å; Y74-Q129 WeakPolarHBondContact CB-O 3.31Å; Y74-Q129 HydrophobicContact CD1-CB 3.53Å; Y74-Q129 HydrophobicContact CD1-CG 3.77Å; Y74-Q129 HydrophobicContact CE1-CB 3.78Å; Y74-Q129 HydrophobicContact CE1-CG 3.45Å; Y74-Q129 VanDerWaalsContact CE1-CG 3.45Å; Y74-Q129 HydrophobicContact CG-CB 4.11Å; Y74-V134 HydrophobicContact CD2-CG1 3.32Å; Y74-V134 HydrophobicContact CE2-CG1 3.34Å; Y74-V134 HydrophobicContact CG-CG1 4.39Å
75	Y	75.2	Confident	76	Confident	123 Å²	123	71.3 Å²	71.3	48%	0.482	38%	0.379	S	S	.	.	H	α-helix	trans	-57.7	-33.8	177.7	-71.3	-79.1	0	0	0	113.8	H71 S72 L73	H71-Y75 VanDerWaalsContact O-CD2 3.22Å; H71-Y75 WeakPolarHBondContact O-CD2 3.42Å; H71-Y75 WeakPolarHBondContact O-CE2 3.35Å; S72-Y75 PolarHBondContact O-N 3.48Å; L73-Y75 VanDerWaalsContact C-N 3.29Å; L73-Y75 PolarHBondContact O-N 2.94Å
76	S	75.9	Confident	76.4	Confident	83 Å²	83	67.7 Å²	67.7	58%	0.58	36%	0.363	S	S	*	.	H	α-helix	trans	-75.3	-33.1	178.9	-60.5	0	0	0	0	112.4	S72 L73 Y74	S72-S76 PolarHBondContact O-N 3.15Å; S72-S76 PolarHBondContact O-OG 2.88Å; L73-S76 WeakPolarHBondContact O-CB 3.37Å; L73-S76 PolarHBondContact O-N 2.98Å; Y74-S76 PolarHBondContact O-N 3.37Å
77	I	83.9	Confident	77	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-98.5	-15.2	-177.7	60.5	157	0	0	0	113.9	I56 L60 L73 Y74 K79 P80 L81 V138	I56-I77 HydrophobicContact CG2-CB 4.5Å; I56-I77 HydrophobicContact CG2-CG2 4.48Å; L60-I77 HydrophobicContact CD2-CD1 3.99Å; L73-I77 HydrophobicContact CD1-CG2 4.04Å; L73-I77 WeakPolarHBondContact O-CG1 3.48Å; L73-I77 PolarHBondContact O-N 3.35Å; Y74-I77 HydrophobicContact CD2-CD1 4.45Å; Y74-I77 CarbonylContact O-C 3.55Å; Y74-I77 WeakPolarHBondContact O-CG1 3.48Å; Y74-I77 PolarHBondContact O-N 2.87Å; I77-K79 PolarHBondContact O-N 3.45Å; I77-P80 WeakPolarHBondContact O-CD 3.36Å; I77-P80 VanDerWaalsContact O-CG 3.24Å; I77-P80 WeakPolarHBondContact O-CG 3.46Å; I77-L81 WeakPolarHBondContact O-CB 3.44Å; I77-L81 PolarHBondContact O-N 3.43Å; I77-V138 HydrophobicContact CD1-CG1 3.62Å; I77-V138 HydrophobicContact CD1-CG2 4.41Å
78	E	85.4	Confident	78.4	Confident	25 Å²	25	55.8 Å²	55.8	12%	0.117	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-46.2	-174.8	179.5	-172	-157.6	0	0	111.1	Y74 L81 K82 Q129	Y74-E78 HydrophobicContact CD1-CB 3.95Å; Y74-E78 HydrophobicContact CD1-CG 4.3Å; Y74-E78 HydrophobicContact CE1-CB 3.64Å; Y74-E78 HydrophobicContact CE1-CG 3.52Å; Y74-E78 WeakPolarHBondContact O-CA 3.15Å; Y74-E78 WeakPolarHBondContact O-CB 3.43Å; Y74-E78 PolarHBondContact O-N 3.21Å; E78-L81 PolarHBondContact O-N 3.19Å; E78-K82 VanDerWaalsContact CD-NZ 3.34Å; E78-K82 HydrophobicContact CG-CD 3.99Å; E78-K82 VanDerWaalsContact CG-CE 3.49Å; E78-K82 HydrophobicContact CG-CG 4.46Å; E78-K82 WeakPolarHBondContact O-CB 3.25Å; E78-K82 WeakPolarHBondContact O-CG 3.45Å; E78-K82 PolarHBondContact O-N 2.87Å; E78-K82 VanDerWaalsContact OE1-CE 3.24Å; E78-K82 WeakPolarHBondContact OE1-CE 3.46Å; E78-K82 IonicContact OE1-NZ 2.61Å; E78-K82 PolarHBondContact OE1-NZ 2.92Å; E78-Q129 PolarHBondContact OE1-NE2 3.07Å
79	K	87.4	Confident	80	Confident	165 Å²	165	55.3 Å²	55.3	72%	0.717	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-55.8	179.6	-67.1	-179.2	-177.2	175.9	0	112.1	I77 L81 K82 F83	I77-K79 PolarHBondContact O-N 3.45Å; K79-L81 VanDerWaalsContact C-N 3.33Å; K79-L81 PolarHBondContact O-N 2.91Å; K79-K82 PolarHBondContact O-N 3.39Å; K79-F83 WeakPolarHBondContact O-CB 3.35Å; K79-F83 PolarHBondContact O-N 3.34Å
80	P	88.1	Confident	81.6	Confident	31 Å²	31	55.1 Å²	55.1	20%	0.201	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-38.5	176.8	22.8	-31.3	0	0	0	112	I56 I77 K82 F83 F84	I56-P80 HydrophobicContact CD1-CB 4.39Å; I56-P80 HydrophobicContact CG1-CB 3.98Å; I56-P80 HydrophobicContact CG1-CG 4.22Å; I77-P80 WeakPolarHBondContact O-CD 3.36Å; I77-P80 VanDerWaalsContact O-CG 3.24Å; I77-P80 WeakPolarHBondContact O-CG 3.46Å; P80-K82 PolarHBondContact O-N 3Å; P80-F83 PolarHBondContact O-N 3.48Å; P80-F84 HydrophobicContact CB-CD2 4.29Å; P80-F84 HydrophobicContact CB-CE2 4.24Å; P80-F84 WeakPolarHBondContact O-CD2 3.5Å; P80-F84 PolarHBondContact O-N 3.22Å
81	L	89.4	Confident	83.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-50.3	176.9	-179.9	64.4	0	0	0	111.5	W53 I56 Y74 I77 E78 K79 F83 Q85 I118 V138	W53-L81 HydrophobicContact CH2-CD1 3.7Å; W53-L81 HydrophobicContact CZ3-CD1 3.68Å; I56-L81 HydrophobicContact CD1-CB 4.34Å; I56-L81 HydrophobicContact CD1-CD1 4.41Å; Y74-L81 HydrophobicContact CE2-CD2 4.29Å; I77-L81 WeakPolarHBondContact O-CB 3.44Å; I77-L81 PolarHBondContact O-N 3.43Å; E78-L81 PolarHBondContact O-N 3.19Å; K79-L81 VanDerWaalsContact C-N 3.33Å; K79-L81 PolarHBondContact O-N 2.91Å; L81-F83 VanDerWaalsContact C-N 3.35Å; L81-F83 PolarHBondContact O-N 3.48Å; L81-Q85 WeakPolarHBondContact O-CB 3.46Å; L81-Q85 PolarHBondContact O-N 3.46Å; L81-I118 HydrophobicContact CD2-CD1 3.62Å; L81-I118 HydrophobicContact CG-CD1 3.94Å; L81-V138 HydrophobicContact CD2-CG2 3.78Å
82	K	90.3	Very high	84.6	Confident	22 Å²	22	45.7 Å²	45.7	10%	0.096	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-44.9	175.3	-78.9	176.7	-175.9	177.3	0	112	E78 K79 P80 T86 I118 W119 H123	E78-K82 VanDerWaalsContact CD-NZ 3.34Å; E78-K82 HydrophobicContact CG-CD 3.99Å; E78-K82 VanDerWaalsContact CG-CE 3.49Å; E78-K82 HydrophobicContact CG-CG 4.46Å; E78-K82 WeakPolarHBondContact O-CB 3.25Å; E78-K82 WeakPolarHBondContact O-CG 3.45Å; E78-K82 PolarHBondContact O-N 2.87Å; E78-K82 VanDerWaalsContact OE1-CE 3.24Å; E78-K82 WeakPolarHBondContact OE1-CE 3.46Å; E78-K82 IonicContact OE1-NZ 2.61Å; E78-K82 PolarHBondContact OE1-NZ 2.92Å; K79-K82 PolarHBondContact O-N 3.39Å; P80-K82 PolarHBondContact O-N 3Å; K82-T86 VanDerWaalsContact O-CB 3.29Å; K82-T86 WeakPolarHBondContact O-CB 3.3Å; K82-T86 PolarHBondContact O-N 3.25Å; K82-T86 PolarHBondContact O-OG1 2.91Å; K82-I118 HydrophobicContact CB-CG2 4.39Å; K82-I118 HydrophobicContact CD-CG2 4.42Å; K82-I118 HydrophobicContact CG-CG2 3.41Å; K82-I118 VanDerWaalsContact CG-CG2 3.41Å; K82-W119 HydrophobicContact CB-CZ2 4.18Å; K82-W119 HydrophobicContact CD-CH2 4.26Å; K82-W119 HydrophobicContact CD-CZ2 4.29Å; K82-W119 HydrophobicContact CG-CZ2 4.32Å; K82-H123 VanDerWaalsContact NZ-CG 3.31Å; K82-H123 PolarHBondContact NZ-ND1 3.23Å
83	F	92.4	Very high	85.8	Confident	147 Å²	147	46.7 Å²	46.7	65%	0.645	24%	0.236	S	C	*	.	H	α-helix	trans	-61.7	-53.2	-178.1	-178	-97	0	0	0	111.7	K79 P80 L81 T86 G87	K79-F83 WeakPolarHBondContact O-CB 3.35Å; K79-F83 PolarHBondContact O-N 3.34Å; P80-F83 PolarHBondContact O-N 3.48Å; L81-F83 VanDerWaalsContact C-N 3.35Å; L81-F83 PolarHBondContact O-N 3.48Å; F83-T86 PolarHBondContact O-N 2.93Å; F83-G87 PolarHBondContact O-N 2.91Å
84	F	91.1	Very high	86.5	Confident	29 Å²	29	46.5 Å²	46.5	13%	0.127	24%	0.235	C	C	.	.	H	α-helix	trans	-70.1	-36	-179.8	-69.3	-64.8	0	0	0	112.2	M49 G52 W53 I56 P80 T86 G87 A88	M49-F84 HydrophobicContact CE-CB 4.24Å; M49-F84 HydrophobicContact CE-CD1 4.39Å; M49-F84 VanDerWaalsContact CE-O 3.28Å; M49-F84 WeakPolarHBondContact CE-O 3.32Å; M49-F84 HydrophobicContact SD-CD1 3.93Å; G52-F84 VanDerWaalsContact CA-CE1 3.47Å; W53-F84 HydrophobicContact CZ2-CB 4.43Å; I56-F84 HydrophobicContact CD1-CD2 4.17Å; P80-F84 HydrophobicContact CB-CD2 4.29Å; P80-F84 HydrophobicContact CB-CE2 4.24Å; P80-F84 WeakPolarHBondContact O-CD2 3.5Å; P80-F84 PolarHBondContact O-N 3.22Å; F84-T86 PolarHBondContact O-N 2.91Å; F84-G87 PolarHBondContact O-N 3.42Å; F84-A88 PolarHBondContact O-N 2.77Å; F84-A88 VanDerWaalsContact O-N 3.08Å
85	Q	90	Very high	86.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-39.2	176.6	-169.9	57.2	58.7	0	0	112.2	L81 A88 R114 V115 I118	L81-Q85 WeakPolarHBondContact O-CB 3.46Å; L81-Q85 PolarHBondContact O-N 3.46Å; Q85-A88 WeakPolarHBondContact O-CB 3.36Å; Q85-A88 PolarHBondContact O-N 3.01Å; Q85-R114 VanDerWaalsContact CD-CB 3.5Å; Q85-R114 HydrophobicContact CG-CB 4.25Å; Q85-V115 HydrophobicContact CG-CG2 4.2Å; Q85-I118 HydrophobicContact CB-CG1 4.41Å; Q85-I118 HydrophobicContact CG-CG1 3.93Å
86	T	89.8	Confident	87.4	Confident	50 Å²	50	44 Å²	44	31%	0.307	24%	0.239	S	C	.	.	H	α-helix	trans	-70.9	-35.9	172.5	-58.7	0	0	0	0	111.3	K82 F83 F84 A88 L89 W119	K82-T86 VanDerWaalsContact O-CB 3.29Å; K82-T86 WeakPolarHBondContact O-CB 3.3Å; K82-T86 PolarHBondContact O-N 3.25Å; K82-T86 PolarHBondContact O-OG1 2.91Å; F83-T86 PolarHBondContact O-N 2.93Å; F84-T86 PolarHBondContact O-N 2.91Å; T86-A88 PolarHBondContact O-N 2.91Å; T86-L89 HydrophobicContact CG2-CD1 3.97Å; T86-L89 WeakPolarHBondContact O-CB 3.46Å; T86-L89 VanDerWaalsContact O-CG 3.24Å; T86-L89 WeakPolarHBondContact O-CG 3.42Å; T86-L89 PolarHBondContact O-N 3.1Å; T86-W119 PolarHBondContact OG1-NE1 3Å; T86-W119 VanDerWaalsContact OG1-NE1 3.1Å
87	G	88.6	Confident	87.8	Confident	21 Å²	21	45.2 Å²	45.2	22%	0.216	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-24.1	173.4	0	0	0	0	0	113.9	Y45 F83 F84 L89 L90	Y45-G87 PolarHBondContact OH-O 3.17Å; F83-G87 PolarHBondContact O-N 2.91Å; F84-G87 PolarHBondContact O-N 3.42Å; G87-L89 PolarHBondContact O-N 3.25Å; G87-L90 WeakPolarHBondContact O-CB 3.31Å; G87-L90 PolarHBondContact O-N 3.1Å
88	A	88.6	Confident	87.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.9	172.5	0	0	0	0	0	113.4	F84 Q85 T86 L90 E91 V111	F84-A88 PolarHBondContact O-N 2.77Å; F84-A88 VanDerWaalsContact O-N 3.08Å; Q85-A88 WeakPolarHBondContact O-CB 3.36Å; Q85-A88 PolarHBondContact O-N 3.01Å; T86-A88 PolarHBondContact O-N 2.91Å; A88-L90 PolarHBondContact O-N 3.35Å; A88-E91 VanDerWaalsContact O-CB 3.23Å; A88-E91 WeakPolarHBondContact O-CB 3.2Å; A88-E91 WeakPolarHBondContact O-CG 3.33Å; A88-E91 PolarHBondContact O-N 3.3Å; A88-V111 HydrophobicContact CB-CG1 3.92Å; A88-V111 HydrophobicContact CB-CG2 4.44Å
89	L	90.1	Very high	87.2	Confident	61 Å²	61	48.3 Å²	48.3	32%	0.319	27%	0.269	S	S	.	.	H	α-helix	trans	-61.2	-27.4	171.6	-67.2	174	0	0	0	112.1	T86 G87 E91 I92 L93 V111 M112 V115	T86-L89 HydrophobicContact CG2-CD1 3.97Å; T86-L89 WeakPolarHBondContact O-CB 3.46Å; T86-L89 VanDerWaalsContact O-CG 3.24Å; T86-L89 WeakPolarHBondContact O-CG 3.42Å; T86-L89 PolarHBondContact O-N 3.1Å; G87-L89 PolarHBondContact O-N 3.25Å; L89-E91 PolarHBondContact O-N 3.1Å; L89-I92 HydrophobicContact CD2-CD1 3.81Å; L89-I92 WeakPolarHBondContact O-CB 3.43Å; L89-I92 PolarHBondContact O-N 2.87Å; L89-L93 PolarHBondContact O-N 2.78Å; L89-V111 HydrophobicContact CD2-CG1 3.85Å; L89-V111 HydrophobicContact CG-CG1 4.39Å; L89-M112 HydrophobicContact CD2-SD 3.59Å; L89-M112 VanDerWaalsContact CD2-SD 3.59Å; L89-V115 HydrophobicContact CD2-CG2 4.24Å; L89-V115 HydrophobicContact CG-CG2 4.42Å
90	L	88.6	Confident	86.7	Confident	71 Å²	71	42.3 Å²	42.3	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-25.8	173.4	-67.8	175.1	0	0	0	112.2	Y45 G87 A88 I92 L93 H94	Y45-L90 HydrophobicContact CD2-CD1 4.39Å; Y45-L90 HydrophobicContact CE2-CB 3.97Å; Y45-L90 HydrophobicContact CE2-CD1 3.88Å; G87-L90 WeakPolarHBondContact O-CB 3.31Å; G87-L90 PolarHBondContact O-N 3.1Å; A88-L90 PolarHBondContact O-N 3.35Å; L90-I92 VanDerWaalsContact C-N 3.3Å; L90-I92 PolarHBondContact O-N 3.29Å; L90-L93 HydrophobicContact CD2-CD2 4.18Å; L90-L93 CarbonylContact O-C 3.44Å; L90-L93 WeakPolarHBondContact O-CA 3.41Å; L90-L93 WeakPolarHBondContact O-CB 3.45Å; L90-L93 PolarHBondContact O-N 3.13Å; L90-L93 VanDerWaalsContact O-N 3.13Å; L90-H94 PolarHBondContact O-CD2 3.07Å; L90-H94 VanDerWaalsContact O-CD2 3.26Å; L90-H94 PolarHBondContact O-N 3.35Å; L90-H94 PolarHBondContact O-ND1 3.08Å; L90-H94 PolarHBondContact O-NE2 3.17Å
91	E	86.8	Confident	86	Confident	18 Å²	18	45.3 Å²	45.3	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-38.2	174.8	-59.6	178.7	-147.3	0	0	111.8	Y45 A88 L89 L93 H94 C95 T107 R148 Y149	Y45-E91 HydrophobicContact CE1-CG 4.15Å; A88-E91 VanDerWaalsContact O-CB 3.23Å; A88-E91 WeakPolarHBondContact O-CB 3.2Å; A88-E91 WeakPolarHBondContact O-CG 3.33Å; A88-E91 PolarHBondContact O-N 3.3Å; L89-E91 PolarHBondContact O-N 3.1Å; E91-L93 VanDerWaalsContact C-N 3.25Å; E91-L93 PolarHBondContact O-N 2.98Å; E91-H94 PolarHBondContact O-N 3.36Å; E91-C95 PolarHBondContact O-N 3.45Å; E91-C95 PolarHBondContact O-SG 2.68Å; E91-T107 HydrophobicContact CB-CG2 4.17Å; E91-R148 IonicContact OE1-CZ 2.69Å; E91-R148 IonicContact OE1-NH1 2.68Å; E91-R148 PolarHBondContact OE1-NH1 2.87Å; E91-R148 IonicContact OE1-NH2 3.75Å; E91-R148 PolarHBondContact OE1-NH2 3.41Å; E91-R148 IonicContact OE2-CZ 3.58Å; E91-R148 IonicContact OE2-NH1 3.24Å; E91-R148 PolarHBondContact OE2-NH1 3.45Å; E91-R148 IonicContact OE2-NH2 2.81Å; E91-Y149 WeakPolarHBondContact OE1-CE1 3.13Å; E91-Y149 PolarHBondContact OE1-OH 3.26Å
92	I	87.2	Confident	85.3	Confident	29 Å²	29	46.8 Å²	46.8	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-43.6	174.9	-56	173.2	0	0	0	108.9	L89 L90 C95 A96 V104 T107 S108 V111 M112	L89-I92 HydrophobicContact CD2-CD1 3.81Å; L89-I92 WeakPolarHBondContact O-CB 3.43Å; L89-I92 PolarHBondContact O-N 2.87Å; L90-I92 VanDerWaalsContact C-N 3.3Å; L90-I92 PolarHBondContact O-N 3.29Å; I92-C95 PolarHBondContact O-N 3.41Å; I92-A96 WeakPolarHBondContact O-CB 3.5Å; I92-A96 PolarHBondContact O-N 3.32Å; I92-V104 HydrophobicContact CG2-CG1 4.04Å; I92-T107 HydrophobicContact CG1-CG2 4.42Å; I92-S108 WeakPolarHBondContact CG2-OG 3.43Å; I92-V111 HydrophobicContact CD1-CB 4.07Å; I92-V111 HydrophobicContact CD1-CG1 4.24Å; I92-V111 HydrophobicContact CG1-CB 4.2Å; I92-V111 HydrophobicContact CG1-CG2 4.34Å; I92-M112 HydrophobicContact CD1-CG 4.33Å; I92-M112 HydrophobicContact CD1-SD 4.45Å
93	L	87.3	Confident	85	Confident	87 Å²	87	48.3 Å²	48.3	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-64.6	-42	177.9	-174.6	63.1	0	0	0	111.8	L89 L90 E91 C95 A96 I97	L89-L93 PolarHBondContact O-N 2.78Å; L90-L93 HydrophobicContact CD2-CD2 4.18Å; L90-L93 CarbonylContact O-C 3.44Å; L90-L93 WeakPolarHBondContact O-CA 3.41Å; L90-L93 WeakPolarHBondContact O-CB 3.45Å; L90-L93 PolarHBondContact O-N 3.13Å; L90-L93 VanDerWaalsContact O-N 3.13Å; E91-L93 VanDerWaalsContact C-N 3.25Å; E91-L93 PolarHBondContact O-N 2.98Å; L93-C95 VanDerWaalsContact C-N 3.29Å; L93-C95 PolarHBondContact O-N 2.79Å; L93-A96 PolarHBondContact O-N 3.08Å; L93-A96 VanDerWaalsContact O-N 3.13Å; L93-I97 HydrophobicContact CD1-CD1 3.79Å; L93-I97 HydrophobicContact CD1-CG1 4.04Å; L93-I97 HydrophobicContact CD2-CD1 4.31Å; L93-I97 HydrophobicContact CG-CD1 3.66Å; L93-I97 HydrophobicContact CG-CG1 4.3Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.13Å; L93-I97 PolarHBondContact O-N 3.37Å
94	H	86.3	Confident	84.5	Confident	7 Å²	7	43.9 Å²	43.9	3%	0.032	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-37.3	176.7	-57.2	153.7	0	0	0	112.2	Y41 L42 Y45 L90 E91 G98 I99 V100	Y41-H94 AromaticContact CE1-CD2 3.85Å; Y41-H94 AromaticContact CE1-CE1 3.98Å; Y41-H94 AromaticContact CE1-NE2 3.3Å; Y41-H94 VanDerWaalsContact CE1-NE2 3.3Å; Y41-H94 WeakPolarHBondContact CE1-NE2 3.45Å; Y41-H94 AromaticContact CZ-NE2 3.58Å; Y41-H94 PolarHBondContact OH-NE2 3.12Å; L42-H94 HydrophobicContact CD2-CB 4.48Å; Y45-H94 AromaticContact CD1-CE1 3.85Å; Y45-H94 AromaticContact CE1-CE1 3.91Å; Y45-H94 AromaticContact CG-CE1 3.94Å; L90-H94 PolarHBondContact O-CD2 3.07Å; L90-H94 VanDerWaalsContact O-CD2 3.26Å; L90-H94 PolarHBondContact O-N 3.35Å; L90-H94 PolarHBondContact O-ND1 3.08Å; L90-H94 PolarHBondContact O-NE2 3.17Å; E91-H94 PolarHBondContact O-N 3.36Å; H94-G98 PolarHBondContact O-N 3.38Å; H94-I99 PolarHBondContact O-N 2.7Å; H94-V100 HydrophobicContact CB-CB 4.48Å; H94-V100 HydrophobicContact CB-CG2 3.88Å; H94-V100 PolarHBondContact O-N 2.98Å
95	C	83.7	Confident	83.9	Confident	11 Å²	11	46.8 Å²	46.8	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-70.2	-40.8	172.3	-64	0	0	0	0	112	E91 I92 L93 G98 V104	E91-C95 PolarHBondContact O-N 3.45Å; E91-C95 PolarHBondContact O-SG 2.68Å; I92-C95 PolarHBondContact O-N 3.41Å; L93-C95 VanDerWaalsContact C-N 3.29Å; L93-C95 PolarHBondContact O-N 2.79Å; C95-G98 WeakPolarHBondContact O-CA 3.35Å; C95-G98 PolarHBondContact O-N 2.72Å; C95-V104 HydrophobicContact CB-CG2 4.02Å
96	A	85.1	Confident	83.2	Confident	62 Å²	62	49.6 Å²	49.6	51%	0.512	31%	0.308	S	S	.	.	H	α-helix	trans	-66.1	-39.6	-178.6	0	0	0	0	0	112.5	I92 L93 G98 V104	I92-A96 WeakPolarHBondContact O-CB 3.5Å; I92-A96 PolarHBondContact O-N 3.32Å; L93-A96 PolarHBondContact O-N 3.08Å; L93-A96 VanDerWaalsContact O-N 3.13Å; A96-G98 PolarHBondContact O-N 2.92Å; A96-V104 HydrophobicContact CB-CG1 4.21Å; A96-V104 HydrophobicContact CB-CG2 4.31Å
97	I	84.6	Confident	82.9	Confident	110 Å²	110	47.7 Å²	47.7	56%	0.564	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.7	174.2	-60	169.4	0	0	0	111	L93 I99	L93-I97 HydrophobicContact CD1-CD1 3.79Å; L93-I97 HydrophobicContact CD1-CG1 4.04Å; L93-I97 HydrophobicContact CD2-CD1 4.31Å; L93-I97 HydrophobicContact CG-CD1 3.66Å; L93-I97 HydrophobicContact CG-CG1 4.3Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.13Å; L93-I97 PolarHBondContact O-N 3.37Å; I97-I99 HydrophobicContact CB-CD1 4.45Å; I97-I99 HydrophobicContact CB-CG1 4.2Å; I97-I99 HydrophobicContact CG2-CD1 4.02Å; I97-I99 HydrophobicContact CG2-CG1 3.8Å
98	G	77.4	Confident	82.5	Confident	55 Å²	55	48.1 Å²	48.1	57%	0.567	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	13.5	178.1	0	0	0	0	0	114.5	H94 C95 A96 V100	H94-G98 PolarHBondContact O-N 3.38Å; C95-G98 WeakPolarHBondContact O-CA 3.35Å; C95-G98 PolarHBondContact O-N 2.72Å; A96-G98 PolarHBondContact O-N 2.92Å; G98-V100 VanDerWaalsContact C-N 3.27Å
99	I	78.3	Confident	82.1	Confident	39 Å²	39	55.3 Å²	55.3	20%	0.2	33%	0.328	C	S	.	.	S	Bend	trans	-67.7	-35.1	174.1	-54	-179.2	0	0	0	110	P34 A38 L42 H94 I97	P34-I99 HydrophobicContact CB-CG2 3.73Å; A38-I99 HydrophobicContact CB-CG2 3.76Å; L42-I99 HydrophobicContact CD1-CG2 3.72Å; L42-I99 HydrophobicContact CG-CG2 4.23Å; H94-I99 PolarHBondContact O-N 2.7Å; I97-I99 HydrophobicContact CB-CD1 4.45Å; I97-I99 HydrophobicContact CB-CG1 4.2Å; I97-I99 HydrophobicContact CG2-CD1 4.02Å; I97-I99 HydrophobicContact CG2-CG1 3.8Å
100	V	78	Confident	81.5	Confident	39 Å²	39	53.3 Å²	53.3	24%	0.236	32%	0.317	C	S	.	.	S	Bend	trans	-108.7	126.9	177	176.8	0	0	0	0	109.3	L42 H94 G98 S102	L42-V100 HydrophobicContact CD1-CG2 4Å; L42-V100 HydrophobicContact CD2-CG2 4.12Å; H94-V100 HydrophobicContact CB-CB 4.48Å; H94-V100 HydrophobicContact CB-CG2 3.88Å; H94-V100 PolarHBondContact O-N 2.98Å; G98-V100 VanDerWaalsContact C-N 3.27Å; V100-S102 PolarHBondContact O-N 3.4Å
101	P	73.1	Confident	81.4	Confident	93 Å²	93	50 Å²	50	60%	0.604	30%	0.299	S	S	*	.			trans	-79	48.4	-175.6	34.2	-37.7	0	0	0	113
102	S	75	Confident	81.3	Confident	32 Å²	32	53.5 Å²	53.5	22%	0.224	32%	0.317	C	S	.	.	S	Bend	trans	-112.5	158.1	178.3	-64	0	0	0	0	111.4	A8 V100 V104	A8-S102 WeakPolarHBondContact CB-OG 3.29Å; V100-S102 PolarHBondContact O-N 3.4Å; S102-V104 PolarHBondContact O-N 3.38Å
103	S	83	Confident	81.2	Confident	54 Å²	54	54.6 Å²	54.6	38%	0.378	33%	0.327	S	S	.	.			trans	-69.4	123.8	173.7	174.5	0	0	0	0	109.9	V105 L106 T107	S103-V105 PolarHBondContact O-N 3.16Å; S103-L106 PolarHBondContact O-N 3.33Å; S103-T107 WeakPolarHBondContact O-CB 3.45Å; S103-T107 PolarHBondContact O-N 3.02Å; S103-T107 PolarHBondContact O-OG1 3.42Å
104	V	81.1	Confident	81.1	Confident	53 Å²	53	50.6 Å²	50.6	32%	0.321	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-50.3	177	-173.8	0	0	0	0	109.9	I92 C95 A96 S102 L106 T107 S108	I92-V104 HydrophobicContact CG2-CG1 4.04Å; C95-V104 HydrophobicContact CB-CG2 4.02Å; A96-V104 HydrophobicContact CB-CG1 4.21Å; A96-V104 HydrophobicContact CB-CG2 4.31Å; S102-V104 PolarHBondContact O-N 3.38Å; V104-L106 VanDerWaalsContact C-N 3.33Å; V104-L106 PolarHBondContact O-N 3.44Å; V104-T107 PolarHBondContact O-N 3.34Å; V104-T107 VanDerWaalsContact O-N 3.14Å; V104-S108 WeakPolarHBondContact O-CB 3.26Å; V104-S108 PolarHBondContact O-N 3.44Å; V104-S108 PolarHBondContact O-OG 3.48Å
105	V	78.6	Confident	81.2	Confident	90 Å²	90	51.1 Å²	51.1	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-56.7	-46.6	-178	177.7	0	0	0	0	111.5	S103 S108 F109	S103-V105 PolarHBondContact O-N 3.16Å; V105-S108 WeakPolarHBondContact O-CB 3.43Å; V105-S108 PolarHBondContact O-N 2.89Å; V105-F109 HydrophobicContact CG1-CD2 3.81Å; V105-F109 HydrophobicContact CG1-CE2 3.59Å; V105-F109 WeakPolarHBondContact O-CD2 3.04Å; V105-F109 PolarHBondContact O-N 3.36Å
106	L	76.9	Confident	81.3	Confident	60 Å²	60	52.8 Å²	52.8	31%	0.314	32%	0.316	S	S	.	.	H	α-helix	trans	-68.5	-37.8	-179.3	-64.3	176.3	0	0	0	112.2	A4 I7 S103 V104 Q110	A4-L106 HydrophobicContact CB-CB 4.21Å; I7-L106 HydrophobicContact CB-CD1 3.83Å; I7-L106 HydrophobicContact CD1-CD1 3.56Å; I7-L106 HydrophobicContact CD1-CD2 4.49Å; I7-L106 HydrophobicContact CG1-CD1 4.27Å; I7-L106 HydrophobicContact CG2-CD1 3.5Å; S103-L106 PolarHBondContact O-N 3.33Å; V104-L106 VanDerWaalsContact C-N 3.33Å; V104-L106 PolarHBondContact O-N 3.44Å; L106-Q110 WeakPolarHBondContact O-CB 3.44Å; L106-Q110 PolarHBondContact O-N 3.05Å
107	T	82.1	Confident	81.4	Confident	9 Å²	9	50.1 Å²	50.1	6%	0.055	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-40.4	176.3	-52.3	0	0	0	0	110.5	E91 I92 S103 V104 Q110 V111	E91-T107 HydrophobicContact CB-CG2 4.17Å; I92-T107 HydrophobicContact CG1-CG2 4.42Å; S103-T107 WeakPolarHBondContact O-CB 3.45Å; S103-T107 PolarHBondContact O-N 3.02Å; S103-T107 PolarHBondContact O-OG1 3.42Å; V104-T107 PolarHBondContact O-N 3.34Å; V104-T107 VanDerWaalsContact O-N 3.14Å; T107-Q110 PolarHBondContact O-N 3.38Å; T107-V111 HydrophobicContact CG2-CG2 4.38Å; T107-V111 WeakPolarHBondContact O-CG2 3.16Å; T107-V111 PolarHBondContact O-N 3Å
108	S	80.3	Confident	81.6	Confident	30 Å²	30	44.9 Å²	44.9	21%	0.21	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-53.6	174.6	-61.5	0	0	0	0	111.6	I92 V104 V105 Q110 V111 M112	I92-S108 WeakPolarHBondContact CG2-OG 3.43Å; V104-S108 WeakPolarHBondContact O-CB 3.26Å; V104-S108 PolarHBondContact O-N 3.44Å; V104-S108 PolarHBondContact O-OG 3.48Å; V105-S108 WeakPolarHBondContact O-CB 3.43Å; V105-S108 PolarHBondContact O-N 2.89Å; S108-Q110 PolarHBondContact O-N 3.42Å; S108-V111 PolarHBondContact O-N 3.13Å; S108-M112 WeakPolarHBondContact O-CB 3.25Å; S108-M112 WeakPolarHBondContact O-CG 3.36Å; S108-M112 PolarHBondContact O-N 2.95Å
109	F	80.2	Confident	82	Confident	152 Å²	152	47.2 Å²	47.2	67%	0.667	26%	0.258	S	S	*	.	H	α-helix	trans	-56.6	-41.2	178.2	-81.9	-66.2	0	0	0	112.2	V105 S113	V105-F109 HydrophobicContact CG1-CD2 3.81Å; V105-F109 HydrophobicContact CG1-CE2 3.59Å; V105-F109 WeakPolarHBondContact O-CD2 3.04Å; V105-F109 PolarHBondContact O-N 3.36Å; F109-S113 VanDerWaalsContact O-CB 3.31Å; F109-S113 WeakPolarHBondContact O-CB 3.42Å; F109-S113 PolarHBondContact O-N 2.9Å; F109-S113 PolarHBondContact O-OG 3.3Å
110	Q	78.3	Confident	82.2	Confident	19 Å²	19	46.3 Å²	46.3	9%	0.089	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-39.4	179.8	167.5	167.8	-38.5	0	0	114	M1 A4 L106 T107 S108 S113 R114	M1-Q110 VanDerWaalsContact CA-CD 3.41Å; M1-Q110 PolarHBondContact O-NE2 3.33Å; M1-Q110 PolarHBondContact O-OE1 3.04Å; A4-Q110 VanDerWaalsContact CB-OE1 3.29Å; L106-Q110 WeakPolarHBondContact O-CB 3.44Å; L106-Q110 PolarHBondContact O-N 3.05Å; T107-Q110 PolarHBondContact O-N 3.38Å; S108-Q110 PolarHBondContact O-N 3.42Å; Q110-S113 PolarHBondContact O-OG 2.85Å; Q110-R114 PolarHBondContact O-NE 3.46Å
111	V	86.5	Confident	82.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-80.6	-43.8	-179.8	175.1	0	0	0	0	109.9	A88 L89 I92 T107 S108 S113 R114 V115	A88-V111 HydrophobicContact CB-CG1 3.92Å; A88-V111 HydrophobicContact CB-CG2 4.44Å; L89-V111 HydrophobicContact CD2-CG1 3.85Å; L89-V111 HydrophobicContact CG-CG1 4.39Å; I92-V111 HydrophobicContact CD1-CB 4.07Å; I92-V111 HydrophobicContact CD1-CG1 4.24Å; I92-V111 HydrophobicContact CG1-CB 4.2Å; I92-V111 HydrophobicContact CG1-CG2 4.34Å; T107-V111 HydrophobicContact CG2-CG2 4.38Å; T107-V111 WeakPolarHBondContact O-CG2 3.16Å; T107-V111 PolarHBondContact O-N 3Å; S108-V111 PolarHBondContact O-N 3.13Å; V111-S113 VanDerWaalsContact C-N 3.35Å; V111-S113 PolarHBondContact O-N 2.94Å; V111-R114 PolarHBondContact O-N 3.44Å; V111-V115 HydrophobicContact CG1-CG2 4.16Å; V111-V115 WeakPolarHBondContact O-CG2 3.32Å; V111-V115 PolarHBondContact O-N 2.87Å
112	M	84.5	Confident	82.9	Confident	92 Å²	92	40 Å²	40	45%	0.453	22%	0.216	S	C	.	.	H	α-helix	trans	-64.7	-35	-179.1	-68.1	-57	-62.1	0	0	112.6	L89 I92 S108 R114 V115 F116	L89-M112 HydrophobicContact CD2-SD 3.59Å; L89-M112 VanDerWaalsContact CD2-SD 3.59Å; I92-M112 HydrophobicContact CD1-CG 4.33Å; I92-M112 HydrophobicContact CD1-SD 4.45Å; S108-M112 WeakPolarHBondContact O-CB 3.25Å; S108-M112 WeakPolarHBondContact O-CG 3.36Å; S108-M112 PolarHBondContact O-N 2.95Å; M112-R114 VanDerWaalsContact C-N 3.26Å; M112-R114 PolarHBondContact O-N 3.23Å; M112-V115 PolarHBondContact O-N 2.89Å; M112-F116 WeakPolarHBondContact O-CB 3.25Å; M112-F116 PolarHBondContact O-N 3.19Å
113	S	84.1	Confident	83.4	Confident	52 Å²	52	42.2 Å²	42.2	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-38.4	176.1	69.5	0	0	0	0	112.3	F109 Q110 V111 L117	F109-S113 VanDerWaalsContact O-CB 3.31Å; F109-S113 WeakPolarHBondContact O-CB 3.42Å; F109-S113 PolarHBondContact O-N 2.9Å; F109-S113 PolarHBondContact O-OG 3.3Å; Q110-S113 PolarHBondContact O-OG 2.85Å; V111-S113 VanDerWaalsContact C-N 3.35Å; V111-S113 PolarHBondContact O-N 2.94Å; S113-L117 PolarHBondContact O-N 3.41Å; S113-L117 VanDerWaalsContact O-N 3.1Å
114	R	85.9	Confident	83.1	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-77.3	-42.8	178.9	-66.1	-173	-72.6	163.6	-5.6	112.3	Q85 Q110 V111 M112 F116 L117 I118 W141 E145 R148	Q85-R114 VanDerWaalsContact CD-CB 3.5Å; Q85-R114 HydrophobicContact CG-CB 4.25Å; Q110-R114 PolarHBondContact O-NE 3.46Å; V111-R114 PolarHBondContact O-N 3.44Å; M112-R114 VanDerWaalsContact C-N 3.26Å; M112-R114 PolarHBondContact O-N 3.23Å; R114-F116 PolarHBondContact O-N 3.08Å; R114-L117 PolarHBondContact O-N 3.2Å; R114-I118 WeakPolarHBondContact O-CG1 3.26Å; R114-I118 PolarHBondContact O-N 2.95Å; R114-W141 HydrophobicContact CB-CH2 3.57Å; R114-W141 HydrophobicContact CB-CZ2 4.05Å; R114-W141 HydrophobicContact CB-CZ3 3.96Å; R114-W141 HydrophobicContact CG-CH2 3.7Å; R114-W141 HydrophobicContact CG-CZ2 3.63Å; R114-W141 HydrophobicContact CG-CZ3 4.23Å; R114-E145 IonicContact CZ-OE2 3.26Å; R114-E145 IonicContact NH1-OE1 4Å; R114-E145 PolarHBondContact NH1-OE1 3.01Å; R114-E145 IonicContact NH1-OE2 3.04Å; R114-E145 PolarHBondContact NH1-OE2 2.62Å; R114-E145 IonicContact NH2-OE2 2.68Å; R114-R148 VanDerWaalsContact NH2-NH2 3.18Å
115	V	88.3	Confident	83.1	Confident	17 Å²	17	38.3 Å²	38.3	10%	0.103	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-42.2	173.4	172.5	0	0	0	0	109.8	Q85 L89 V111 M112 I118 W119	Q85-V115 HydrophobicContact CG-CG2 4.2Å; L89-V115 HydrophobicContact CD2-CG2 4.24Å; L89-V115 HydrophobicContact CG-CG2 4.42Å; V111-V115 HydrophobicContact CG1-CG2 4.16Å; V111-V115 WeakPolarHBondContact O-CG2 3.32Å; V111-V115 PolarHBondContact O-N 2.87Å; M112-V115 PolarHBondContact O-N 2.89Å; V115-I118 PolarHBondContact O-N 2.71Å; V115-W119 WeakPolarHBondContact O-CB 3.31Å; V115-W119 VanDerWaalsContact O-CD1 3.28Å; V115-W119 PolarHBondContact O-N 3.43Å
116	F	86.6	Confident	83.2	Confident	47 Å²	47	40.5 Å²	40.5	21%	0.206	20%	0.199	C	C	.	.	H	α-helix	trans	-57.5	-50.7	173.8	173.5	-94.9	0	0	0	111.6	M112 R114 I118 W119 A120 V121 Y214 F217 L218 I221	M112-F116 WeakPolarHBondContact O-CB 3.25Å; M112-F116 PolarHBondContact O-N 3.19Å; R114-F116 PolarHBondContact O-N 3.08Å; F116-I118 VanDerWaalsContact C-N 3.31Å; F116-I118 PolarHBondContact O-N 3.47Å; F116-W119 PolarHBondContact O-N 2.87Å; F116-A120 HydrophobicContact CD2-CB 3.42Å; F116-A120 VanDerWaalsContact CD2-CB 3.42Å; F116-A120 HydrophobicContact CE2-CB 3.31Å; F116-A120 HydrophobicContact CG-CB 4.1Å; F116-A120 HydrophobicContact CZ-CB 3.92Å; F116-A120 WeakPolarHBondContact O-CA 3.24Å; F116-A120 WeakPolarHBondContact O-CB 3.22Å; F116-A120 PolarHBondContact O-N 3.49Å; F116-V121 HydrophobicContact CD1-CG2 4.42Å; F116-V121 HydrophobicContact CE1-CG2 3.83Å; F116-V121 HydrophobicContact CZ-CG2 4.27Å; F116-V121 PolarHBondContact O-N 2.93Å; F116-Y214 HydrophobicContact CE2-CE2 4.15Å; F116-Y214 HydrophobicContact CZ-CE2 4.08Å; F116-F217 HydrophobicContact CE2-CD1 4.42Å; F116-F217 AromaticContact CE2-CE1 3.63Å; F116-F217 HydrophobicContact CE2-CE1 3.63Å; F116-F217 HydrophobicContact CZ-CD1 4.23Å; F116-F217 AromaticContact CZ-CE1 3.7Å; F116-F217 HydrophobicContact CZ-CE1 3.7Å; F116-L218 HydrophobicContact CE1-CD2 3.92Å; F116-L218 HydrophobicContact CZ-CD2 3.64Å; F116-I221 HydrophobicContact CD1-CD1 4.04Å; F116-I221 HydrophobicContact CE1-CD1 3.37Å; F116-I221 HydrophobicContact CE2-CD1 4.33Å; F116-I221 HydrophobicContact CZ-CD1 3.54Å
117	L	86.7	Confident	83.3	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.207	C	C	.	.	I	π-helix	trans	-59.3	-43.5	178.8	-170.7	75.2	0	0	0	112	S113 R114 V121 T122 F137 W141 E183 T186 I187	S113-L117 PolarHBondContact O-N 3.41Å; S113-L117 VanDerWaalsContact O-N 3.1Å; R114-L117 PolarHBondContact O-N 3.2Å; L117-V121 HydrophobicContact CD1-CB 4.18Å; L117-V121 HydrophobicContact CD1-CG1 4.45Å; L117-V121 HydrophobicContact CD1-CG2 4.16Å; L117-V121 VanDerWaalsContact O-CB 3.31Å; L117-V121 WeakPolarHBondContact O-CB 3.18Å; L117-V121 PolarHBondContact O-N 2.87Å; L117-T122 PolarHBondContact O-N 3.14Å; L117-T122 PolarHBondContact O-OG1 3.42Å; L117-F137 HydrophobicContact CD2-CD1 4.24Å; L117-F137 HydrophobicContact CD2-CD2 4.16Å; L117-F137 HydrophobicContact CD2-CE1 4.03Å; L117-F137 HydrophobicContact CD2-CE2 4.01Å; L117-F137 HydrophobicContact CD2-CG 4.31Å; L117-F137 HydrophobicContact CD2-CZ 3.95Å; L117-W141 HydrophobicContact CB-CH2 4.2Å; L117-W141 HydrophobicContact CD2-CH2 3.61Å; L117-W141 HydrophobicContact CD2-CZ2 3.59Å; L117-W141 HydrophobicContact CG-CH2 4.49Å; L117-E183 HydrophobicContact CD2-CB 4Å; L117-E183 HydrophobicContact CD2-CG 3.6Å; L117-T186 HydrophobicContact CD1-CG2 4.43Å; L117-I187 HydrophobicContact CD1-CD1 4Å; L117-I187 HydrophobicContact CD1-CG1 3.71Å
118	I	88.8	Confident	83.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-66.8	-47.8	-179.2	-66.8	-55.6	0	0	0	112	L81 K82 Q85 R114 V115 F116 T122 H123 F137 W141	L81-I118 HydrophobicContact CD2-CD1 3.62Å; L81-I118 HydrophobicContact CG-CD1 3.94Å; K82-I118 HydrophobicContact CB-CG2 4.39Å; K82-I118 HydrophobicContact CD-CG2 4.42Å; K82-I118 HydrophobicContact CG-CG2 3.41Å; K82-I118 VanDerWaalsContact CG-CG2 3.41Å; Q85-I118 HydrophobicContact CB-CG1 4.41Å; Q85-I118 HydrophobicContact CG-CG1 3.93Å; R114-I118 WeakPolarHBondContact O-CG1 3.26Å; R114-I118 PolarHBondContact O-N 2.95Å; V115-I118 PolarHBondContact O-N 2.71Å; F116-I118 VanDerWaalsContact C-N 3.31Å; F116-I118 PolarHBondContact O-N 3.47Å; I118-T122 VanDerWaalsContact CA-OG1 3.3Å; I118-T122 WeakPolarHBondContact CA-OG1 3.29Å; I118-T122 PolarHBondContact O-OG1 2.69Å; I118-H123 WeakPolarHBondContact O-CB 3.41Å; I118-H123 PolarHBondContact O-N 2.81Å; I118-F137 HydrophobicContact CD1-CE2 4.05Å; I118-F137 HydrophobicContact CD1-CZ 4.3Å; I118-W141 HydrophobicContact CD1-CH2 4.36Å; I118-W141 HydrophobicContact CD1-CZ3 3.83Å; I118-W141 HydrophobicContact CG1-CH2 4.28Å; I118-W141 HydrophobicContact CG1-CZ3 3.83Å
119	W	86.4	Confident	83.2	Confident	105 Å²	105	41.2 Å²	41.2	40%	0.398	20%	0.197	S	C	.	.	I	π-helix	trans	-90.3	-47.6	-171.7	-71.4	96.3	0	0	0	113.4	K82 T86 V115 F116 H123 S124	K82-W119 HydrophobicContact CB-CZ2 4.18Å; K82-W119 HydrophobicContact CD-CH2 4.26Å; K82-W119 HydrophobicContact CD-CZ2 4.29Å; K82-W119 HydrophobicContact CG-CZ2 4.32Å; T86-W119 PolarHBondContact OG1-NE1 3Å; T86-W119 VanDerWaalsContact OG1-NE1 3.1Å; V115-W119 WeakPolarHBondContact O-CB 3.31Å; V115-W119 VanDerWaalsContact O-CD1 3.28Å; V115-W119 PolarHBondContact O-N 3.43Å; F116-W119 PolarHBondContact O-N 2.87Å; W119-H123 AromaticContact CE3-CD2 3.79Å; W119-H123 WeakPolarHBondContact O-CB 3.32Å; W119-S124 PolarHBondContact O-OG 2.68Å
120	A	81.7	Confident	83	Confident	19 Å²	19	36 Å²	36	16%	0.157	18%	0.179	C	C	.	.	I	π-helix	trans	-80.7	-28.4	-175.4	0	0	0	0	0	112.3	F116 S124 Y214	F116-A120 HydrophobicContact CD2-CB 3.42Å; F116-A120 VanDerWaalsContact CD2-CB 3.42Å; F116-A120 HydrophobicContact CE2-CB 3.31Å; F116-A120 HydrophobicContact CG-CB 4.1Å; F116-A120 HydrophobicContact CZ-CB 3.92Å; F116-A120 WeakPolarHBondContact O-CA 3.24Å; F116-A120 WeakPolarHBondContact O-CB 3.22Å; F116-A120 PolarHBondContact O-N 3.49Å; A120-S124 VanDerWaalsContact O-CB 3.28Å; A120-S124 WeakPolarHBondContact O-CB 3.26Å; A120-S124 PolarHBondContact O-OG 3.33Å; A120-Y214 VanDerWaalsContact CB-OH 3.25Å; A120-Y214 WeakPolarHBondContact CB-OH 3.17Å; A120-Y214 PolarHBondContact O-OH 3.17Å
121	V	83	Confident	83.1	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.006	20%	0.196	C	C	.	.	I	π-helix	trans	-102	-72.8	179.4	-171.8	0	0	0	0	110.4	F116 L117 H123 S124 V125 T186 I187 A190 L218	F116-V121 HydrophobicContact CD1-CG2 4.42Å; F116-V121 HydrophobicContact CE1-CG2 3.83Å; F116-V121 HydrophobicContact CZ-CG2 4.27Å; F116-V121 PolarHBondContact O-N 2.93Å; L117-V121 HydrophobicContact CD1-CB 4.18Å; L117-V121 HydrophobicContact CD1-CG1 4.45Å; L117-V121 HydrophobicContact CD1-CG2 4.16Å; L117-V121 VanDerWaalsContact O-CB 3.31Å; L117-V121 WeakPolarHBondContact O-CB 3.18Å; L117-V121 PolarHBondContact O-N 2.87Å; V121-H123 PolarHBondContact O-N 2.79Å; V121-S124 PolarHBondContact O-N 3.42Å; V121-V125 PolarHBondContact O-N 3.01Å; V121-T186 HydrophobicContact CG1-CG2 4.14Å; V121-I187 HydrophobicContact CG1-CG1 4.45Å; V121-I187 HydrophobicContact CG2-CG1 4.27Å; V121-A190 HydrophobicContact CG1-CB 3.73Å; V121-L218 HydrophobicContact CG2-CD2 4.07Å
122	T	83.7	Confident	82.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-69.7	-30.4	-168.6	60.2	0	0	0	0	114.3	Y74 L117 I118 Q129 V134 F137 T186	Y74-T122 WeakPolarHBondContact OH-CB 3.36Å; Y74-T122 PolarHBondContact OH-OG1 3.36Å; L117-T122 PolarHBondContact O-N 3.14Å; L117-T122 PolarHBondContact O-OG1 3.42Å; I118-T122 VanDerWaalsContact CA-OG1 3.3Å; I118-T122 WeakPolarHBondContact CA-OG1 3.29Å; I118-T122 PolarHBondContact O-OG1 2.69Å; T122-Q129 VanDerWaalsContact O-CG 3.25Å; T122-Q129 WeakPolarHBondContact O-CG 3.22Å; T122-Q129 PolarHBondContact O-NE2 3.24Å; T122-V134 HydrophobicContact CG2-CG2 4.35Å; T122-F137 HydrophobicContact CG2-CE1 4.35Å; T122-F137 HydrophobicContact CG2-CZ 4.09Å; T122-T186 HydrophobicContact CG2-CG2 3.71Å
123	H	84.6	Confident	82.9	Confident	78 Å²	78	41.3 Å²	41.3	36%	0.361	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-33.5	176.1	178.5	50.4	0	0	0	112.7	K82 I118 W119 V121	K82-H123 VanDerWaalsContact NZ-CG 3.31Å; K82-H123 PolarHBondContact NZ-ND1 3.23Å; I118-H123 WeakPolarHBondContact O-CB 3.41Å; I118-H123 PolarHBondContact O-N 2.81Å; W119-H123 AromaticContact CE3-CD2 3.79Å; W119-H123 WeakPolarHBondContact O-CB 3.32Å; V121-H123 PolarHBondContact O-N 2.79Å
124	S	77.5	Confident	83	Confident	24 Å²	24	38.9 Å²	38.9	17%	0.168	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-30	-177.5	-58.8	0	0	0	0	112.6	W119 A120 V121 Y200	W119-S124 PolarHBondContact O-OG 2.68Å; A120-S124 VanDerWaalsContact O-CB 3.28Å; A120-S124 WeakPolarHBondContact O-CB 3.26Å; A120-S124 PolarHBondContact O-OG 3.33Å; V121-S124 PolarHBondContact O-N 3.42Å; S124-Y200 VanDerWaalsContact OG-CE2 3.32Å; S124-Y200 WeakPolarHBondContact OG-CE2 3.36Å; S124-Y200 PolarHBondContact OG-OH 3Å
125	V	81.3	Confident	83	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.			trans	-114.5	94.3	176.7	-170.5	0	0	0	0	108.7	V121 E127 V128 A190 F193 V194 L199	V121-V125 PolarHBondContact O-N 3.01Å; V125-E127 HydrophobicContact CG1-CB 4.34Å; V125-E127 WeakPolarHBondContact CG1-OE2 3.32Å; V125-E127 PolarHBondContact O-N 3.41Å; V125-V128 HydrophobicContact CB-CG2 4.14Å; V125-V128 HydrophobicContact CG1-CB 4.37Å; V125-V128 HydrophobicContact CG1-CG2 3.6Å; V125-V128 PolarHBondContact O-N 3.49Å; V125-A190 HydrophobicContact CB-CB 4.46Å; V125-A190 HydrophobicContact CG2-CB 4.19Å; V125-F193 HydrophobicContact CG1-CB 3.6Å; V125-F193 HydrophobicContact CG1-CD2 3.85Å; V125-F193 HydrophobicContact CG1-CG 3.88Å; V125-V194 HydrophobicContact CG2-CG2 3.88Å; V125-L199 HydrophobicContact CG2-CD1 4.15Å
126	K	80.3	Confident	83	Confident	137 Å²	137	41.9 Å²	41.9	60%	0.596	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-67.2	-27.7	-175	-69.3	-176.9	-179.2	175.7	0	112.2	V128 Q129	K126-V128 PolarHBondContact O-N 3.2Å; K126-Q129 VanDerWaalsContact O-CB 3.23Å; K126-Q129 WeakPolarHBondContact O-CB 3.29Å; K126-Q129 WeakPolarHBondContact O-CG 3.4Å; K126-Q129 PolarHBondContact O-N 3.4Å; K126-Q129 VanDerWaalsContact O-N 3.14Å
127	E	78.3	Confident	83.2	Confident	103 Å²	103	39.7 Å²	39.7	48%	0.481	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.4	-36.6	179.7	-62.6	81.5	178.4	0	0	111.2	V125 Q129 S130 F193	V125-E127 HydrophobicContact CG1-CB 4.34Å; V125-E127 WeakPolarHBondContact CG1-OE2 3.32Å; V125-E127 PolarHBondContact O-N 3.41Å; E127-Q129 VanDerWaalsContact C-N 3.27Å; E127-Q129 PolarHBondContact O-N 2.92Å; E127-S130 PolarHBondContact O-N 2.68Å; E127-F193 HydrophobicContact CB-CD1 4.18Å; E127-F193 HydrophobicContact CB-CD2 4.23Å; E127-F193 HydrophobicContact CB-CE1 3.85Å; E127-F193 HydrophobicContact CB-CE2 3.91Å; E127-F193 HydrophobicContact CB-CG 4.36Å; E127-F193 HydrophobicContact CB-CZ 3.71Å; E127-F193 HydrophobicContact CG-CD1 3.95Å; E127-F193 HydrophobicContact CG-CE1 3.74Å; E127-F193 HydrophobicContact CG-CZ 4.13Å
128	V	80.8	Confident	83.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-73.6	-19.9	-179.2	178.4	0	0	0	0	112.1	V125 K126 S130 E131 V134 T186 A189 A190 F193	V125-V128 HydrophobicContact CB-CG2 4.14Å; V125-V128 HydrophobicContact CG1-CB 4.37Å; V125-V128 HydrophobicContact CG1-CG2 3.6Å; V125-V128 PolarHBondContact O-N 3.49Å; K126-V128 PolarHBondContact O-N 3.2Å; V128-S130 PolarHBondContact O-N 3.43Å; V128-S130 VanDerWaalsContact O-N 3.09Å; V128-E131 HydrophobicContact CG1-CG 4.5Å; V128-E131 VanDerWaalsContact O-CB 3.31Å; V128-E131 WeakPolarHBondContact O-CB 3.4Å; V128-E131 PolarHBondContact O-N 3.49Å; V128-V134 HydrophobicContact CG1-CG2 4.16Å; V128-V134 WeakPolarHBondContact O-CG2 3.46Å; V128-T186 HydrophobicContact CG1-CG2 3.45Å; V128-T186 VanDerWaalsContact CG1-CG2 3.45Å; V128-A189 HydrophobicContact CG1-CB 4.42Å; V128-A189 HydrophobicContact CG2-CB 4.2Å; V128-A190 HydrophobicContact CG2-CB 3.86Å; V128-F193 HydrophobicContact CG2-CD2 4.32Å
129	Q	80	Confident	83.4	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.047	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-62.3	-20.8	179.3	-61.5	-174.1	-2.4	0	0	113.4	Y74 E78 T122 K126 E127	Y74-Q129 WeakPolarHBondContact CB-O 3.31Å; Y74-Q129 HydrophobicContact CD1-CB 3.53Å; Y74-Q129 HydrophobicContact CD1-CG 3.77Å; Y74-Q129 HydrophobicContact CE1-CB 3.78Å; Y74-Q129 HydrophobicContact CE1-CG 3.45Å; Y74-Q129 VanDerWaalsContact CE1-CG 3.45Å; Y74-Q129 HydrophobicContact CG-CB 4.11Å; E78-Q129 PolarHBondContact OE1-NE2 3.07Å; T122-Q129 VanDerWaalsContact O-CG 3.25Å; T122-Q129 WeakPolarHBondContact O-CG 3.22Å; T122-Q129 PolarHBondContact O-NE2 3.24Å; K126-Q129 VanDerWaalsContact O-CB 3.23Å; K126-Q129 WeakPolarHBondContact O-CB 3.29Å; K126-Q129 WeakPolarHBondContact O-CG 3.4Å; K126-Q129 PolarHBondContact O-N 3.4Å; K126-Q129 VanDerWaalsContact O-N 3.14Å; E127-Q129 VanDerWaalsContact C-N 3.27Å; E127-Q129 PolarHBondContact O-N 2.92Å
130	S	76.7	Confident	83.7	Confident	42 Å²	42	37.9 Å²	37.9	29%	0.294	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-90.5	-5	-180	-68.8	0	0	0	0	113.6	H71 E127 V128	H71-S130 WeakPolarHBondContact ND1-CB 3.34Å; E127-S130 PolarHBondContact O-N 2.68Å; V128-S130 PolarHBondContact O-N 3.43Å; V128-S130 VanDerWaalsContact O-N 3.09Å
131	E	80.4	Confident	84.2	Confident	95 Å²	95	37.3 Å²	37.3	44%	0.444	19%	0.188	S	C	.	.	S	Bend	trans	-80.4	142.3	-176.7	-69.1	-68.6	135.6	0	0	112.2	V128 S133 V134 A189	V128-E131 HydrophobicContact CG1-CG 4.5Å; V128-E131 VanDerWaalsContact O-CB 3.31Å; V128-E131 WeakPolarHBondContact O-CB 3.4Å; V128-E131 PolarHBondContact O-N 3.49Å; E131-S133 WeakPolarHBondContact CB-OG 3.37Å; E131-S133 PolarHBondContact O-N 2.85Å; E131-S133 VanDerWaalsContact O-N 3.13Å; E131-V134 WeakPolarHBondContact O-CB 3.42Å; E131-V134 PolarHBondContact O-N 3.22Å; E131-A189 HydrophobicContact CG-CB 4.33Å
132	D	81.5	Confident	84.6	Confident	117 Å²	117	37.3 Å²	37.3	63%	0.626	19%	0.188	S	C	*	.	H	α-helix	trans	-60.6	-25.1	175.5	-69.2	-27.7	0	0	0	112.5	V134 L135 L136	D132-V134 PolarHBondContact O-N 3.1Å; D132-L135 PolarHBondContact O-N 3.34Å; D132-L136 PolarHBondContact O-N 3.49Å
133	S	84.9	Confident	85	Confident	11 Å²	11	40.5 Å²	40.5	8%	0.077	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-33.9	174.5	60.4	0	0	0	0	112.6	E131 L136 F137 T186	E131-S133 WeakPolarHBondContact CB-OG 3.37Å; E131-S133 PolarHBondContact O-N 2.85Å; E131-S133 VanDerWaalsContact O-N 3.13Å; S133-L136 WeakPolarHBondContact O-CB 3.43Å; S133-L136 PolarHBondContact O-N 3.04Å; S133-F137 WeakPolarHBondContact O-CD1 3.4Å; S133-F137 PolarHBondContact O-N 3.41Å; S133-T186 PolarHBondContact OG-OG1 3.29Å
134	V	85.2	Confident	85.3	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-69.1	-44.4	177.4	177.3	0	0	0	0	111.1	Y74 T122 V128 E131 D132 L136 F137 V138 T186	Y74-V134 HydrophobicContact CD2-CG1 3.32Å; Y74-V134 HydrophobicContact CE2-CG1 3.34Å; Y74-V134 HydrophobicContact CG-CG1 4.39Å; T122-V134 HydrophobicContact CG2-CG2 4.35Å; V128-V134 HydrophobicContact CG1-CG2 4.16Å; V128-V134 WeakPolarHBondContact O-CG2 3.46Å; E131-V134 WeakPolarHBondContact O-CB 3.42Å; E131-V134 PolarHBondContact O-N 3.22Å; D132-V134 PolarHBondContact O-N 3.1Å; V134-L136 VanDerWaalsContact C-N 3.25Å; V134-L136 PolarHBondContact O-N 3.42Å; V134-F137 VanDerWaalsContact CA-CE1 3.44Å; V134-F137 HydrophobicContact CB-CE1 3.99Å; V134-F137 HydrophobicContact CB-CZ 4.49Å; V134-F137 HydrophobicContact CG1-CE1 3.92Å; V134-F137 HydrophobicContact CG1-CZ 3.9Å; V134-F137 HydrophobicContact CG2-CE1 4.02Å; V134-F137 PolarHBondContact O-N 3.4Å; V134-V138 HydrophobicContact CG1-CG2 4.14Å; V134-V138 VanDerWaalsContact O-CB 3.31Å; V134-V138 WeakPolarHBondContact O-CB 3.48Å; V134-V138 WeakPolarHBondContact O-CG2 3.06Å; V134-V138 PolarHBondContact O-N 3.35Å; V134-T186 HydrophobicContact CG2-CG2 4.04Å
135	L	87	Confident	85.9	Confident	25 Å²	25	37.3 Å²	37.3	13%	0.131	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-38.9	176.2	-64	-179	0	0	0	111.4	Y70 L73 D132 V138 I139	Y70-L135 HydrophobicContact CD1-CD1 3.96Å; L73-L135 HydrophobicContact CD2-CD1 4.38Å; L73-L135 HydrophobicContact CD2-CD2 3.56Å; L73-L135 HydrophobicContact CG-CD2 3.98Å; D132-L135 PolarHBondContact O-N 3.34Å; L135-V138 PolarHBondContact O-N 2.9Å; L135-I139 WeakPolarHBondContact O-CB 3.28Å; L135-I139 WeakPolarHBondContact O-CD1 3.24Å; L135-I139 VanDerWaalsContact O-CG1 3.25Å; L135-I139 WeakPolarHBondContact O-CG1 3.21Å; L135-I139 PolarHBondContact O-N 2.99Å
136	L	88.4	Confident	86.4	Confident	60 Å²	60	39 Å²	39	31%	0.314	20%	0.198	S	C	.	.	H	α-helix	trans	-59	-52.9	-179.7	-165.9	69.5	0	0	0	112.2	D132 S133 V134 A140 M178	D132-L136 PolarHBondContact O-N 3.49Å; S133-L136 WeakPolarHBondContact O-CB 3.43Å; S133-L136 PolarHBondContact O-N 3.04Å; V134-L136 VanDerWaalsContact C-N 3.25Å; V134-L136 PolarHBondContact O-N 3.42Å; L136-A140 WeakPolarHBondContact O-CB 3.32Å; L136-A140 PolarHBondContact O-N 2.82Å; L136-M178 HydrophobicContact CD1-CG 3.62Å; L136-M178 HydrophobicContact CD1-SD 4.26Å; L136-M178 HydrophobicContact CG-CG 3.78Å
137	F	89.3	Confident	86.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-72.3	-34.2	179.6	78.8	-107.1	0	0	0	111.9	L117 I118 T122 S133 V134 I139 A140 W141 E183 T186	L117-F137 HydrophobicContact CD2-CD1 4.24Å; L117-F137 HydrophobicContact CD2-CD2 4.16Å; L117-F137 HydrophobicContact CD2-CE1 4.03Å; L117-F137 HydrophobicContact CD2-CE2 4.01Å; L117-F137 HydrophobicContact CD2-CG 4.31Å; L117-F137 HydrophobicContact CD2-CZ 3.95Å; I118-F137 HydrophobicContact CD1-CE2 4.05Å; I118-F137 HydrophobicContact CD1-CZ 4.3Å; T122-F137 HydrophobicContact CG2-CE1 4.35Å; T122-F137 HydrophobicContact CG2-CZ 4.09Å; S133-F137 WeakPolarHBondContact O-CD1 3.4Å; S133-F137 PolarHBondContact O-N 3.41Å; V134-F137 VanDerWaalsContact CA-CE1 3.44Å; V134-F137 HydrophobicContact CB-CE1 3.99Å; V134-F137 HydrophobicContact CB-CZ 4.49Å; V134-F137 HydrophobicContact CG1-CE1 3.92Å; V134-F137 HydrophobicContact CG1-CZ 3.9Å; V134-F137 HydrophobicContact CG2-CE1 4.02Å; V134-F137 PolarHBondContact O-N 3.4Å; F137-I139 PolarHBondContact O-N 2.72Å; F137-A140 PolarHBondContact O-N 3.23Å; F137-W141 AromaticContact CD2-CD2 3.83Å; F137-W141 HydrophobicContact CD2-CD2 3.83Å; F137-W141 AromaticContact CD2-CE2 3.78Å; F137-W141 HydrophobicContact CD2-CE3 4.02Å; F137-W141 HydrophobicContact CD2-CG 4.38Å; F137-W141 HydrophobicContact CD2-CH2 4.13Å; F137-W141 AromaticContact CD2-CZ2 3.94Å; F137-W141 HydrophobicContact CD2-CZ2 3.94Å; F137-W141 HydrophobicContact CD2-CZ3 4.17Å; F137-W141 HydrophobicContact CE2-CD2 4.41Å; F137-W141 HydrophobicContact CE2-CE3 4.14Å; F137-W141 HydrophobicContact CE2-CH2 4.07Å; F137-W141 HydrophobicContact CE2-CZ2 4.33Å; F137-W141 AromaticContact CE2-CZ3 3.97Å; F137-W141 HydrophobicContact CE2-CZ3 3.97Å; F137-W141 VanDerWaalsContact O-CB 3.26Å; F137-W141 WeakPolarHBondContact O-CB 3.11Å; F137-W141 VanDerWaalsContact O-CD1 3.23Å; F137-W141 PolarHBondContact O-N 3.06Å; F137-E183 HydrophobicContact CB-CG 4.02Å; F137-E183 HydrophobicContact CG-CG 4.36Å; F137-T186 WeakPolarHBondContact CD1-OG1 3.48Å; F137-T186 HydrophobicContact CE1-CG2 4.01Å; F137-T186 WeakPolarHBondContact CE1-OG1 3.29Å
138	V	90.4	Very high	87.4	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-44.1	178.7	167.4	0	0	0	0	111.3	I56 L60 I77 L81 V134 L135 T142	I56-V138 HydrophobicContact CG2-CG1 4.5Å; L60-V138 HydrophobicContact CD1-CG1 4.05Å; L60-V138 HydrophobicContact CD2-CG1 4.07Å; I77-V138 HydrophobicContact CD1-CG1 3.62Å; I77-V138 HydrophobicContact CD1-CG2 4.41Å; L81-V138 HydrophobicContact CD2-CG2 3.78Å; V134-V138 HydrophobicContact CG1-CG2 4.14Å; V134-V138 VanDerWaalsContact O-CB 3.31Å; V134-V138 WeakPolarHBondContact O-CB 3.48Å; V134-V138 WeakPolarHBondContact O-CG2 3.06Å; V134-V138 PolarHBondContact O-N 3.35Å; L135-V138 PolarHBondContact O-N 2.9Å; V138-T142 VanDerWaalsContact O-CB 3.25Å; V138-T142 WeakPolarHBondContact O-CB 3.32Å; V138-T142 PolarHBondContact O-N 3.18Å; V138-T142 PolarHBondContact O-OG1 3.11Å
139	I	90.7	Very high	87.8	Confident	71 Å²	71	29 Å²	29	36%	0.364	15%	0.154	S	C	.	.	H	α-helix	trans	-62.1	-49	175.7	-69.6	164.7	0	0	0	109.7	L60 L135 F137 W141 T142 I143	L60-I139 HydrophobicContact CD1-CG1 4.08Å; L60-I139 HydrophobicContact CD2-CG1 4.5Å; L135-I139 WeakPolarHBondContact O-CB 3.28Å; L135-I139 WeakPolarHBondContact O-CD1 3.24Å; L135-I139 VanDerWaalsContact O-CG1 3.25Å; L135-I139 WeakPolarHBondContact O-CG1 3.21Å; L135-I139 PolarHBondContact O-N 2.99Å; F137-I139 PolarHBondContact O-N 2.72Å; I139-W141 VanDerWaalsContact C-N 3.35Å; I139-W141 PolarHBondContact O-N 2.97Å; I139-T142 PolarHBondContact O-N 2.93Å; I139-I143 HydrophobicContact CG2-CD1 3.93Å; I139-I143 WeakPolarHBondContact O-CG1 3.4Å; I139-I143 PolarHBondContact O-N 3Å; I139-I143 VanDerWaalsContact O-N 3.1Å
140	A	91.3	Very high	88.1	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-45.1	-179.9	0	0	0	0	0	112.3	L136 F137 T144 M178	L136-A140 WeakPolarHBondContact O-CB 3.32Å; L136-A140 PolarHBondContact O-N 2.82Å; F137-A140 PolarHBondContact O-N 3.23Å; A140-T144 VanDerWaalsContact O-CB 3.32Å; A140-T144 WeakPolarHBondContact O-CB 3.15Å; A140-T144 PolarHBondContact O-N 3.32Å; A140-T144 VanDerWaalsContact O-N 3.07Å; A140-T144 PolarHBondContact O-OG1 3.47Å; A140-M178 HydrophobicContact CB-CB 4.33Å; A140-M178 HydrophobicContact CB-CG 4.04Å; A140-M178 HydrophobicContact CB-SD 4.15Å
141	W	92.4	Very high	88.6	Confident	7 Å²	7	28.7 Å²	28.7	3%	0.027	15%	0.149	C	C	.	.	H	α-helix	trans	-64.1	-48.2	176.9	-74.7	14	0	0	0	111.2	W53 R114 L117 I118 F137 I139 I143 T144 E145 E183	W53-W141 HydrophobicContact CZ3-CB 4.45Å; R114-W141 HydrophobicContact CB-CH2 3.57Å; R114-W141 HydrophobicContact CB-CZ2 4.05Å; R114-W141 HydrophobicContact CB-CZ3 3.96Å; R114-W141 HydrophobicContact CG-CH2 3.7Å; R114-W141 HydrophobicContact CG-CZ2 3.63Å; R114-W141 HydrophobicContact CG-CZ3 4.23Å; L117-W141 HydrophobicContact CB-CH2 4.2Å; L117-W141 HydrophobicContact CD2-CH2 3.61Å; L117-W141 HydrophobicContact CD2-CZ2 3.59Å; L117-W141 HydrophobicContact CG-CH2 4.49Å; I118-W141 HydrophobicContact CD1-CH2 4.36Å; I118-W141 HydrophobicContact CD1-CZ3 3.83Å; I118-W141 HydrophobicContact CG1-CH2 4.28Å; I118-W141 HydrophobicContact CG1-CZ3 3.83Å; F137-W141 AromaticContact CD2-CD2 3.83Å; F137-W141 HydrophobicContact CD2-CD2 3.83Å; F137-W141 AromaticContact CD2-CE2 3.78Å; F137-W141 HydrophobicContact CD2-CE3 4.02Å; F137-W141 HydrophobicContact CD2-CG 4.38Å; F137-W141 HydrophobicContact CD2-CH2 4.13Å; F137-W141 AromaticContact CD2-CZ2 3.94Å; F137-W141 HydrophobicContact CD2-CZ2 3.94Å; F137-W141 HydrophobicContact CD2-CZ3 4.17Å; F137-W141 HydrophobicContact CE2-CD2 4.41Å; F137-W141 HydrophobicContact CE2-CE3 4.14Å; F137-W141 HydrophobicContact CE2-CH2 4.07Å; F137-W141 HydrophobicContact CE2-CZ2 4.33Å; F137-W141 AromaticContact CE2-CZ3 3.97Å; F137-W141 HydrophobicContact CE2-CZ3 3.97Å; F137-W141 VanDerWaalsContact O-CB 3.26Å; F137-W141 WeakPolarHBondContact O-CB 3.11Å; F137-W141 VanDerWaalsContact O-CD1 3.23Å; F137-W141 PolarHBondContact O-N 3.06Å; I139-W141 VanDerWaalsContact C-N 3.35Å; I139-W141 PolarHBondContact O-N 2.97Å; W141-I143 VanDerWaalsContact C-N 3.34Å; W141-I143 PolarHBondContact O-N 3.08Å; W141-T144 PolarHBondContact O-N 3.31Å; W141-T144 VanDerWaalsContact O-N 3.13Å; W141-E145 WeakPolarHBondContact O-CB 3.24Å; W141-E145 WeakPolarHBondContact O-CG 3.27Å; W141-E145 PolarHBondContact O-N 3.12Å; W141-E183 HydrophobicContact CZ2-CG 4.02Å; W141-E183 WeakPolarHBondContact CZ2-OE1 3.14Å; W141-E183 PolarHBondContact NE1-OE1 3.26Å
142	T	92.5	Very high	88.9	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-56.1	-49.6	-177.8	-61.2	0	0	0	0	111.2	W53 I56 A57 L60 V138 I139 E145 I146	W53-T142 HydrophobicContact CE3-CG2 4.43Å; W53-T142 WeakPolarHBondContact O-CG2 3.43Å; I56-T142 HydrophobicContact CG2-CG2 4.4Å; A57-T142 HydrophobicContact CB-CG2 3.67Å; L60-T142 HydrophobicContact CD1-CG2 4.41Å; V138-T142 VanDerWaalsContact O-CB 3.25Å; V138-T142 WeakPolarHBondContact O-CB 3.32Å; V138-T142 PolarHBondContact O-N 3.18Å; V138-T142 PolarHBondContact O-OG1 3.11Å; I139-T142 PolarHBondContact O-N 2.93Å; T142-E145 PolarHBondContact O-N 3.3Å; T142-I146 HydrophobicContact CG2-CD1 3.95Å; T142-I146 WeakPolarHBondContact O-CD1 3.36Å; T142-I146 VanDerWaalsContact O-CG1 3.26Å; T142-I146 WeakPolarHBondContact O-CG1 3.26Å; T142-I146 PolarHBondContact O-N 3.16Å; T142-I146 VanDerWaalsContact O-N 3.1Å
143	I	91.7	Very high	89.1	Confident	67 Å²	67	22 Å²	22	34%	0.344	11%	0.113	S	C	.	.	H	α-helix	trans	-63.4	-46.3	178.4	-61	168.4	0	0	0	110.5	I139 W141 E145 I146 I147 L175	I139-I143 HydrophobicContact CG2-CD1 3.93Å; I139-I143 WeakPolarHBondContact O-CG1 3.4Å; I139-I143 PolarHBondContact O-N 3Å; I139-I143 VanDerWaalsContact O-N 3.1Å; W141-I143 VanDerWaalsContact C-N 3.34Å; W141-I143 PolarHBondContact O-N 3.08Å; I143-E145 VanDerWaalsContact C-N 3.33Å; I143-E145 PolarHBondContact O-N 2.93Å; I143-I146 PolarHBondContact O-N 3.31Å; I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 WeakPolarHBondContact O-CD1 3.37Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 2.98Å; I143-I147 PolarHBondContact O-N 2.98Å; I143-L175 HydrophobicContact CB-CD1 4.02Å; I143-L175 HydrophobicContact CB-CD2 4.15Å; I143-L175 HydrophobicContact CD1-CD2 3.93Å; I143-L175 HydrophobicContact CG2-CD1 3.51Å; I143-L175 HydrophobicContact CG2-CD2 4.22Å
144	T	90.8	Very high	89	Confident	34 Å²	34	24.8 Å²	24.8	21%	0.209	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-40.2	-178.2	-56.7	0	0	0	0	112	M1 A140 W141 I147 R148	M1-T144 HydrophobicContact CB-CG2 4.35Å; M1-T144 HydrophobicContact CE-CG2 3.29Å; M1-T144 HydrophobicContact CG-CG2 4.43Å; M1-T144 HydrophobicContact SD-CG2 4.06Å; A140-T144 VanDerWaalsContact O-CB 3.32Å; A140-T144 WeakPolarHBondContact O-CB 3.15Å; A140-T144 PolarHBondContact O-N 3.32Å; A140-T144 VanDerWaalsContact O-N 3.07Å; A140-T144 PolarHBondContact O-OG1 3.47Å; W141-T144 PolarHBondContact O-N 3.31Å; W141-T144 VanDerWaalsContact O-N 3.13Å; T144-I147 PolarHBondContact O-N 3.28Å; T144-R148 VanDerWaalsContact O-CB 3.26Å; T144-R148 WeakPolarHBondContact O-CB 3.45Å; T144-R148 PolarHBondContact O-N 3.37Å
145	E	89.6	Confident	88.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.8	-44.1	-178.7	-70.8	-67.7	90	0	0	112.1	M1 W53 R114 W141 T142 I143 I147 R148 Y149	M1-E145 HydrophobicContact CE-CG 3.74Å; M1-E145 WeakPolarHBondContact CE-OE1 3.29Å; W53-E145 HydrophobicContact CB-CB 4.4Å; W53-E145 HydrophobicContact CD2-CB 3.58Å; W53-E145 HydrophobicContact CD2-CG 3.94Å; W53-E145 HydrophobicContact CE3-CB 4.18Å; W53-E145 HydrophobicContact CE3-CG 4.33Å; W53-E145 HydrophobicContact CG-CB 3.65Å; W53-E145 HydrophobicContact CG-CG 4.47Å; W53-E145 HydrophobicContact CH2-CG 4.06Å; W53-E145 HydrophobicContact CZ2-CB 4.24Å; W53-E145 HydrophobicContact CZ2-CG 3.65Å; W53-E145 HydrophobicContact CZ3-CG 4.38Å; R114-E145 IonicContact CZ-OE2 3.26Å; R114-E145 IonicContact NH1-OE1 4Å; R114-E145 PolarHBondContact NH1-OE1 3.01Å; R114-E145 IonicContact NH1-OE2 3.04Å; R114-E145 PolarHBondContact NH1-OE2 2.62Å; R114-E145 IonicContact NH2-OE2 2.68Å; W141-E145 WeakPolarHBondContact O-CB 3.24Å; W141-E145 WeakPolarHBondContact O-CG 3.27Å; W141-E145 PolarHBondContact O-N 3.12Å; T142-E145 PolarHBondContact O-N 3.3Å; I143-E145 VanDerWaalsContact C-N 3.33Å; I143-E145 PolarHBondContact O-N 2.93Å; E145-I147 VanDerWaalsContact C-N 3.29Å; E145-I147 PolarHBondContact O-N 3.22Å; E145-R148 VanDerWaalsContact CD-NH2 3.27Å; E145-R148 PolarHBondContact O-N 3.41Å; E145-R148 VanDerWaalsContact O-N 3.14Å; E145-R148 IonicContact OE1-CZ 3.78Å; E145-R148 IonicContact OE1-NE 3.22Å; E145-R148 PolarHBondContact OE1-NE 3.42Å; E145-R148 IonicContact OE1-NH2 3.75Å; E145-R148 PolarHBondContact OE1-NH2 3.46Å; E145-R148 IonicContact OE2-CZ 3.13Å; E145-R148 IonicContact OE2-NE 2.76Å; E145-R148 IonicContact OE2-NH2 3.66Å; E145-R148 PolarHBondContact OE2-NH2 3.03Å; E145-Y149 HydrophobicContact CB-CD2 4.25Å; E145-Y149 HydrophobicContact CB-CE2 4.16Å; E145-Y149 WeakPolarHBondContact O-CD2 3.12Å; E145-Y149 PolarHBondContact O-N 3.13Å; E145-Y149 VanDerWaalsContact OE2-CE2 3.27Å; E145-Y149 WeakPolarHBondContact OE2-CE2 3.41Å; E145-Y149 PolarHBondContact OE2-OH 3.39Å
146	I	91.7	Very high	88.8	Confident	35 Å²	35	28.3 Å²	28.3	18%	0.179	15%	0.147	C	C	.	.	H	α-helix	trans	-55.5	-48.2	174.9	-69.8	165.2	0	0	0	109.9	T50 W53 L54 A57 T142 I143 R148 S150	T50-I146 HydrophobicContact CG2-CG2 4.3Å; W53-I146 HydrophobicContact CB-CD1 4.42Å; W53-I146 HydrophobicContact CB-CG1 3.68Å; L54-I146 HydrophobicContact CD2-CD1 3.87Å; L54-I146 HydrophobicContact CD2-CG1 4.43Å; L54-I146 HydrophobicContact CD2-CG2 4.45Å; L54-I146 HydrophobicContact CG-CD1 4.24Å; L54-I146 HydrophobicContact CG-CG1 4.37Å; A57-I146 HydrophobicContact CB-CD1 4.07Å; T142-I146 HydrophobicContact CG2-CD1 3.95Å; T142-I146 WeakPolarHBondContact O-CD1 3.36Å; T142-I146 VanDerWaalsContact O-CG1 3.26Å; T142-I146 WeakPolarHBondContact O-CG1 3.26Å; T142-I146 PolarHBondContact O-N 3.16Å; T142-I146 VanDerWaalsContact O-N 3.1Å; I143-I146 PolarHBondContact O-N 3.31Å; I146-R148 PolarHBondContact O-N 2.97Å; I146-S150 WeakPolarHBondContact O-CB 3.26Å; I146-S150 PolarHBondContact O-N 3.35Å; I146-S150 PolarHBondContact O-OG 2.8Å
147	I	89.1	Confident	88.5	Confident	23 Å²	23	30 Å²	30	12%	0.118	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-42	179.3	-63.4	161.6	0	0	0	110.8	I143 T144 E145 F151 A167 R168 L171	I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 WeakPolarHBondContact O-CD1 3.37Å; I143-I147 VanDerWaalsContact O-CG1 3.29Å; I143-I147 WeakPolarHBondContact O-CG1 2.98Å; I143-I147 PolarHBondContact O-N 2.98Å; T144-I147 PolarHBondContact O-N 3.28Å; E145-I147 VanDerWaalsContact C-N 3.29Å; E145-I147 PolarHBondContact O-N 3.22Å; I147-F151 VanDerWaalsContact O-CB 3.24Å; I147-F151 WeakPolarHBondContact O-CB 3.32Å; I147-F151 PolarHBondContact O-N 2.91Å; I147-A167 HydrophobicContact CD1-CB 4.31Å; I147-A167 HydrophobicContact CG1-CB 4.46Å; I147-A167 HydrophobicContact CG2-CB 4.28Å; I147-R168 HydrophobicContact CG2-CB 3.75Å; I147-R168 HydrophobicContact CG2-CG 4.46Å; I147-L171 HydrophobicContact CD1-CB 4.44Å; I147-L171 HydrophobicContact CD1-CD1 3.52Å
148	R	90.6	Very high	88.1	Confident	8 Å²	8	37.5 Å²	37.5	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-52.4	-177.2	-178.1	173.6	73.4	122	0.8	111.9	E91 R114 T144 E145 I146 F151 Y152	E91-R148 IonicContact OE1-CZ 2.69Å; E91-R148 IonicContact OE1-NH1 2.68Å; E91-R148 PolarHBondContact OE1-NH1 2.87Å; E91-R148 IonicContact OE1-NH2 3.75Å; E91-R148 PolarHBondContact OE1-NH2 3.41Å; E91-R148 IonicContact OE2-CZ 3.58Å; E91-R148 IonicContact OE2-NH1 3.24Å; E91-R148 PolarHBondContact OE2-NH1 3.45Å; E91-R148 IonicContact OE2-NH2 2.81Å; R114-R148 VanDerWaalsContact NH2-NH2 3.18Å; T144-R148 VanDerWaalsContact O-CB 3.26Å; T144-R148 WeakPolarHBondContact O-CB 3.45Å; T144-R148 PolarHBondContact O-N 3.37Å; E145-R148 VanDerWaalsContact CD-NH2 3.27Å; E145-R148 PolarHBondContact O-N 3.41Å; E145-R148 VanDerWaalsContact O-N 3.14Å; E145-R148 IonicContact OE1-CZ 3.78Å; E145-R148 IonicContact OE1-NE 3.22Å; E145-R148 PolarHBondContact OE1-NE 3.42Å; E145-R148 IonicContact OE1-NH2 3.75Å; E145-R148 PolarHBondContact OE1-NH2 3.46Å; E145-R148 IonicContact OE2-CZ 3.13Å; E145-R148 IonicContact OE2-NE 2.76Å; E145-R148 IonicContact OE2-NH2 3.66Å; E145-R148 PolarHBondContact OE2-NH2 3.03Å; I146-R148 PolarHBondContact O-N 2.97Å; R148-F151 PolarHBondContact O-N 3.39Å; R148-Y152 HydrophobicContact CG-CD2 4.15Å; R148-Y152 HydrophobicContact CG-CE2 3.55Å; R148-Y152 PolarHBondContact O-N 3.28Å
149	Y	88.8	Confident	87.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.6	-35.4	-179.2	-68	-61.8	0	0	0	112	Y45 N46 M49 T50 W53 E91 E145 Y152 T153	Y45-Y149 HydrophobicContact CE1-CE1 4.13Å; N46-Y149 HydrophobicContact CB-CD1 4.49Å; N46-Y149 WeakPolarHBondContact OD1-CD1 3.25Å; M49-Y149 HydrophobicContact CB-CD1 3.79Å; M49-Y149 HydrophobicContact CB-CD2 3.68Å; M49-Y149 HydrophobicContact CB-CE1 3.81Å; M49-Y149 HydrophobicContact CB-CE2 3.72Å; M49-Y149 HydrophobicContact CB-CG 3.72Å; M49-Y149 HydrophobicContact CE-CE1 4.42Å; M49-Y149 HydrophobicContact CE-CE2 3.87Å; M49-Y149 WeakPolarHBondContact CE-OH 3.36Å; M49-Y149 HydrophobicContact CG-CD1 4.32Å; M49-Y149 HydrophobicContact CG-CE1 3.93Å; M49-Y149 HydrophobicContact CG-CE2 4.35Å; T50-Y149 WeakPolarHBondContact OG1-CB 3.17Å; W53-Y149 AromaticContact CD1-CD2 3.83Å; W53-Y149 AromaticContact CD1-CE2 3.63Å; W53-Y149 AromaticContact NE1-CE2 3.46Å; E91-Y149 WeakPolarHBondContact OE1-CE1 3.13Å; E91-Y149 PolarHBondContact OE1-OH 3.26Å; E145-Y149 HydrophobicContact CB-CD2 4.25Å; E145-Y149 HydrophobicContact CB-CE2 4.16Å; E145-Y149 WeakPolarHBondContact O-CD2 3.12Å; E145-Y149 PolarHBondContact O-N 3.13Å; E145-Y149 VanDerWaalsContact OE2-CE2 3.27Å; E145-Y149 WeakPolarHBondContact OE2-CE2 3.41Å; E145-Y149 PolarHBondContact OE2-OH 3.39Å; Y149-Y152 HydrophobicContact CD1-CD2 4.39Å; Y149-Y152 PolarHBondContact O-N 2.91Å; Y149-T153 WeakPolarHBondContact O-CB 3.21Å; Y149-T153 PolarHBondContact O-N 3.27Å; Y149-T153 PolarHBondContact O-OG1 2.96Å
150	S	88.1	Confident	87.4	Confident	20 Å²	20	42.8 Å²	42.8	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-48.7	170.8	-61.4	0	0	0	0	110.8	I146 Y152 T153 F154	I146-S150 WeakPolarHBondContact O-CB 3.26Å; I146-S150 PolarHBondContact O-N 3.35Å; I146-S150 PolarHBondContact O-OG 2.8Å; S150-Y152 VanDerWaalsContact C-N 3.33Å; S150-Y152 PolarHBondContact O-N 2.92Å; S150-T153 WeakPolarHBondContact O-CB 3.49Å; S150-T153 PolarHBondContact O-N 3.21Å; S150-F154 WeakPolarHBondContact O-CD2 3.38Å; S150-F154 PolarHBondContact O-N 3.22Å
151	F	87.1	Confident	87.2	Confident	25 Å²	25	44.6 Å²	44.6	11%	0.11	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-43.5	176.8	-179.7	-77.6	0	0	0	111.9	I147 R148 S155 L160 I164 K165 R168 Y169	I147-F151 VanDerWaalsContact O-CB 3.24Å; I147-F151 WeakPolarHBondContact O-CB 3.32Å; I147-F151 PolarHBondContact O-N 2.91Å; R148-F151 PolarHBondContact O-N 3.39Å; F151-S155 WeakPolarHBondContact O-CB 3.38Å; F151-S155 PolarHBondContact O-N 3.37Å; F151-L160 HydrophobicContact CD2-CD1 3.76Å; F151-L160 HydrophobicContact CD2-CD2 4.02Å; F151-L160 HydrophobicContact CE2-CD1 4.13Å; F151-L160 HydrophobicContact CE2-CD2 3.48Å; F151-L160 VanDerWaalsContact CE2-CD2 3.48Å; F151-L160 HydrophobicContact CE2-CG 4.42Å; F151-L160 HydrophobicContact CG-CD1 4.23Å; F151-L160 HydrophobicContact CZ-CD2 3.87Å; F151-I164 HydrophobicContact CB-CG2 3.95Å; F151-I164 HydrophobicContact CD2-CG2 4.48Å; F151-K165 HydrophobicContact CE2-CG 4.41Å; F151-R168 HydrophobicContact CD2-CB 4.34Å; F151-R168 HydrophobicContact CD2-CG 4.49Å; F151-Y169 HydrophobicContact CE2-CE2 4.22Å
152	Y	85.5	Confident	86.8	Confident	62 Å²	62	48.6 Å²	48.6	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-42.3	177.8	-66.5	-23.5	0	0	0	112.1	R148 Y149 S150 S155 L156 R168	R148-Y152 HydrophobicContact CG-CD2 4.15Å; R148-Y152 HydrophobicContact CG-CE2 3.55Å; R148-Y152 PolarHBondContact O-N 3.28Å; Y149-Y152 HydrophobicContact CD1-CD2 4.39Å; Y149-Y152 PolarHBondContact O-N 2.91Å; S150-Y152 VanDerWaalsContact C-N 3.33Å; S150-Y152 PolarHBondContact O-N 2.92Å; Y152-S155 PolarHBondContact O-N 3.31Å; Y152-L156 WeakPolarHBondContact O-CB 2.97Å; Y152-L156 VanDerWaalsContact O-CG 3.26Å; Y152-L156 WeakPolarHBondContact O-CG 3.15Å; Y152-L156 PolarHBondContact O-N 2.98Å; Y152-R168 VanDerWaalsContact CE1-NH1 3.27Å; Y152-R168 PolarHBondContact OH-NH2 2.77Å
153	T	85.9	Confident	86.5	Confident	11 Å²	11	54.6 Å²	54.6	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-57.9	-56.8	175.5	-55	0	0	0	0	110.9	V43 N46 V47 Y149 S150 S155 L156 L157	V43-T153 HydrophobicContact CG1-CG2 4.22Å; N46-T153 WeakPolarHBondContact CB-OG1 3.27Å; V47-T153 HydrophobicContact CG2-CG2 3.78Å; Y149-T153 WeakPolarHBondContact O-CB 3.21Å; Y149-T153 PolarHBondContact O-N 3.27Å; Y149-T153 PolarHBondContact O-OG1 2.96Å; S150-T153 WeakPolarHBondContact O-CB 3.49Å; S150-T153 PolarHBondContact O-N 3.21Å; T153-S155 VanDerWaalsContact C-N 3.31Å; T153-S155 PolarHBondContact O-N 3.27Å; T153-L156 PolarHBondContact O-N 3Å; T153-L156 VanDerWaalsContact O-N 3.13Å; T153-L157 HydrophobicContact CG2-CD1 4.13Å; T153-L157 WeakPolarHBondContact O-CG 3.39Å; T153-L157 PolarHBondContact O-N 3.35Å
154	F	82.9	Confident	86.2	Confident	68 Å²	68	52.9 Å²	52.9	30%	0.298	27%	0.27	S	S	.	.	H	α-helix	trans	-67.3	-30.9	-177.3	-75.4	-64.4	0	0	0	113.4	S150 L157 N158 H159 L160 P161 I164	S150-F154 WeakPolarHBondContact O-CD2 3.38Å; S150-F154 PolarHBondContact O-N 3.22Å; F154-L157 PolarHBondContact O-N 2.58Å; F154-N158 PolarHBondContact O-N 2.92Å; F154-H159 WeakPolarHBondContact CB-O 3.38Å; F154-H159 VanDerWaalsContact CD1-O 3.27Å; F154-H159 WeakPolarHBondContact CD1-O 3.45Å; F154-H159 CarbonylContact O-C 3.4Å; F154-H159 PolarHBondContact O-N 2.68Å; F154-H159 VanDerWaalsContact O-N 3.11Å; F154-L160 HydrophobicContact CB-CD1 3.86Å; F154-P161 HydrophobicContact CD1-CG 4.23Å; F154-P161 HydrophobicContact CE1-CG 4.35Å; F154-P161 HydrophobicContact CG-CG 4.32Å; F154-I164 HydrophobicContact CD2-CD1 3.25Å; F154-I164 HydrophobicContact CE2-CD1 3.2Å; F154-I164 HydrophobicContact CG-CD1 4.29Å; F154-I164 HydrophobicContact CZ-CD1 4.18Å
155	S	83.6	Confident	85.8	Confident	59 Å²	59	53.7 Å²	53.7	41%	0.413	27%	0.271	S	S	.	.	H	α-helix	trans	-67.8	-35.6	172.8	-173.6	0	0	0	0	112.2	F151 Y152 T153 N158	F151-S155 WeakPolarHBondContact O-CB 3.38Å; F151-S155 PolarHBondContact O-N 3.37Å; Y152-S155 PolarHBondContact O-N 3.31Å; T153-S155 VanDerWaalsContact C-N 3.31Å; T153-S155 PolarHBondContact O-N 3.27Å; S155-N158 PolarHBondContact O-N 3.04Å
156	L	83.7	Confident	85.7	Confident	42 Å²	42	58.4 Å²	58.4	22%	0.22	29%	0.289	C	S	.	.	H	α-helix	trans	-73.5	-31.1	176.3	-72.5	168.4	0	0	0	112.3	T39 L42 V43 Y152 T153 N158	T39-L156 HydrophobicContact CG2-CB 4.25Å; T39-L156 HydrophobicContact CG2-CD2 4.38Å; L42-L156 HydrophobicContact CB-CD1 3.56Å; L42-L156 HydrophobicContact CD1-CD1 4.32Å; L42-L156 HydrophobicContact CD1-CD2 4.44Å; V43-L156 HydrophobicContact CG2-CB 3.83Å; V43-L156 HydrophobicContact CG2-CD1 4.11Å; Y152-L156 WeakPolarHBondContact O-CB 2.97Å; Y152-L156 VanDerWaalsContact O-CG 3.26Å; Y152-L156 WeakPolarHBondContact O-CG 3.15Å; Y152-L156 PolarHBondContact O-N 2.98Å; T153-L156 PolarHBondContact O-N 3Å; T153-L156 VanDerWaalsContact O-N 3.13Å; L156-N158 PolarHBondContact O-N 2.87Å
157	L	83.6	Confident	85.5	Confident	96 Å²	96	57.3 Å²	57.3	50%	0.503	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	2.6	175.3	-63.6	176.3	0	0	0	113.6	V43 T153 F154 H159	V43-L157 HydrophobicContact CG1-CD2 4.43Å; V43-L157 HydrophobicContact CG2-CD2 4.03Å; V43-L157 HydrophobicContact CG2-CG 4.28Å; T153-L157 HydrophobicContact CG2-CD1 4.13Å; T153-L157 WeakPolarHBondContact O-CG 3.39Å; T153-L157 PolarHBondContact O-N 3.35Å; F154-L157 PolarHBondContact O-N 2.58Å; L157-H159 PolarHBondContact O-N 2.76Å
158	N	80.9	Confident	85.4	Confident	156 Å²	156	57.7 Å²	57.7	83%	0.834	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	17.5	-174.8	-60.7	-62	0	0	0	114.9	F154 S155 L156	F154-N158 PolarHBondContact O-N 2.92Å; S155-N158 PolarHBondContact O-N 3.04Å; L156-N158 PolarHBondContact O-N 2.87Å
159	H	81.9	Confident	85	Confident	135 Å²	135	58 Å²	58	63%	0.625	29%	0.286	S	S	*	.			trans	-129.2	82.2	-179.9	-173.4	-72.4	0	0	0	108.8	F154 L157 P161	F154-H159 WeakPolarHBondContact CB-O 3.38Å; F154-H159 VanDerWaalsContact CD1-O 3.27Å; F154-H159 WeakPolarHBondContact CD1-O 3.45Å; F154-H159 CarbonylContact O-C 3.4Å; F154-H159 PolarHBondContact O-N 2.68Å; F154-H159 VanDerWaalsContact O-N 3.11Å; L157-H159 PolarHBondContact O-N 2.76Å; H159-P161 VanDerWaalsContact O-CD 3.29Å; H159-P161 WeakPolarHBondContact O-CD 3.29Å
160	L	84.6	Confident	84.9	Confident	47 Å²	47	59.1 Å²	59.1	25%	0.246	29%	0.293	C	S	.	.			trans	-96.1	107	-177	-179.3	63.1	0	0	0	111.9	F151 F154 I164 K165	F151-L160 HydrophobicContact CD2-CD1 3.76Å; F151-L160 HydrophobicContact CD2-CD2 4.02Å; F151-L160 HydrophobicContact CE2-CD1 4.13Å; F151-L160 HydrophobicContact CE2-CD2 3.48Å; F151-L160 VanDerWaalsContact CE2-CD2 3.48Å; F151-L160 HydrophobicContact CE2-CG 4.42Å; F151-L160 HydrophobicContact CG-CD1 4.23Å; F151-L160 HydrophobicContact CZ-CD2 3.87Å; F154-L160 HydrophobicContact CB-CD1 3.86Å; L160-I164 HydrophobicContact CD1-CG2 4.37Å; L160-K165 HydrophobicContact CD2-CB 4.19Å; L160-K165 VanDerWaalsContact CD2-CE 3.49Å; L160-K165 HydrophobicContact CD2-CG 4.33Å; L160-K165 HydrophobicContact CG-CB 4.35Å
161	P	87.1	Confident	84.8	Confident	39 Å²	39	61.2 Å²	61.2	25%	0.253	30%	0.303	S	S	.	.			trans	-61	139.7	177.4	-21.7	34.1	0	0	0	111.6	F154 H159 L163 I164 K165	F154-P161 HydrophobicContact CD1-CG 4.23Å; F154-P161 HydrophobicContact CE1-CG 4.35Å; F154-P161 HydrophobicContact CG-CG 4.32Å; H159-P161 VanDerWaalsContact O-CD 3.29Å; H159-P161 WeakPolarHBondContact O-CD 3.29Å; P161-L163 PolarHBondContact O-N 3.26Å; P161-I164 HydrophobicContact CB-CD1 4.38Å; P161-I164 HydrophobicContact CB-CG1 4.41Å; P161-I164 HydrophobicContact CG-CD1 4Å; P161-I164 PolarHBondContact O-N 3.1Å; P161-K165 PolarHBondContact O-N 2.79Å
162	Y	83.8	Confident	84.8	Confident	92 Å²	92	60.8 Å²	60.8	36%	0.361	30%	0.301	S	S	.	.	H	α-helix	trans	-57.5	-39.7	178	178	-95	0	0	0	111.9	I164 K165 W166 T247	Y162-I164 VanDerWaalsContact C-N 3.33Å; Y162-I164 PolarHBondContact O-N 2.93Å; Y162-K165 WeakPolarHBondContact O-CB 3.49Å; Y162-K165 PolarHBondContact O-N 2.94Å; Y162-W166 HydrophobicContact CD1-CB 4.33Å; Y162-W166 HydrophobicContact CE1-CB 3.99Å; Y162-W166 HydrophobicContact CE1-CG 4.3Å; Y162-W166 VanDerWaalsContact O-CB 3.3Å; Y162-W166 WeakPolarHBondContact O-CB 3.39Å; Y162-W166 PolarHBondContact O-N 3.23Å; Y162-T247 HydrophobicContact CD2-CG2 4.12Å; Y162-T247 HydrophobicContact CE2-CG2 3.94Å
163	L	86.3	Confident	84.9	Confident	128 Å²	128	60.7 Å²	60.7	67%	0.67	30%	0.304	S	S	*	.	H	α-helix	trans	-55.9	-46	179.4	-172.4	76.5	0	0	0	112.2	P161 W166 A167	P161-L163 PolarHBondContact O-N 3.26Å; L163-W166 PolarHBondContact O-N 3.42Å; L163-A167 WeakPolarHBondContact O-CB 3.49Å; L163-A167 PolarHBondContact O-N 3.22Å
164	I	85.6	Confident	85.1	Confident	30 Å²	30	64.7 Å²	64.7	15%	0.154	33%	0.328	C	S	.	.	H	α-helix	trans	-70.8	-39.8	-178.1	-63.1	176.7	0	0	0	110.5	F151 F154 L160 P161 Y162 R168	F151-I164 HydrophobicContact CB-CG2 3.95Å; F151-I164 HydrophobicContact CD2-CG2 4.48Å; F154-I164 HydrophobicContact CD2-CD1 3.25Å; F154-I164 HydrophobicContact CE2-CD1 3.2Å; F154-I164 HydrophobicContact CG-CD1 4.29Å; F154-I164 HydrophobicContact CZ-CD1 4.18Å; L160-I164 HydrophobicContact CD1-CG2 4.37Å; P161-I164 HydrophobicContact CB-CD1 4.38Å; P161-I164 HydrophobicContact CB-CG1 4.41Å; P161-I164 HydrophobicContact CG-CD1 4Å; P161-I164 PolarHBondContact O-N 3.1Å; Y162-I164 VanDerWaalsContact C-N 3.33Å; Y162-I164 PolarHBondContact O-N 2.93Å; I164-R168 WeakPolarHBondContact O-CB 3.42Å; I164-R168 PolarHBondContact O-N 3.34Å
165	K	82.3	Confident	85.3	Confident	51 Å²	51	62.1 Å²	62.1	22%	0.222	32%	0.317	C	S	.	.	H	α-helix	trans	-59.8	-50.8	172.9	-173.1	-172.6	-63.2	177.9	0	110.5	F151 L160 P161 Y162 A167 R168 Y169 I243	F151-K165 HydrophobicContact CE2-CG 4.41Å; L160-K165 HydrophobicContact CD2-CB 4.19Å; L160-K165 VanDerWaalsContact CD2-CE 3.49Å; L160-K165 HydrophobicContact CD2-CG 4.33Å; L160-K165 HydrophobicContact CG-CB 4.35Å; P161-K165 PolarHBondContact O-N 2.79Å; Y162-K165 WeakPolarHBondContact O-CB 3.49Å; Y162-K165 PolarHBondContact O-N 2.94Å; K165-A167 PolarHBondContact O-N 3.19Å; K165-R168 PolarHBondContact O-N 3.02Å; K165-Y169 HydrophobicContact CG-CD2 4.06Å; K165-Y169 HydrophobicContact CG-CE2 4.14Å; K165-Y169 WeakPolarHBondContact O-CD2 3.39Å; K165-Y169 PolarHBondContact O-N 3.24Å; K165-Y169 VanDerWaalsContact O-N 3.15Å; K165-I243 HydrophobicContact CD-CG2 4.25Å
166	W	87.4	Confident	85.4	Confident	99 Å²	99	61 Å²	61	38%	0.375	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-45.7	178.8	177.3	92.5	0	0	0	111.9	Y162 L163 R168 Y169 T170	Y162-W166 HydrophobicContact CD1-CB 4.33Å; Y162-W166 HydrophobicContact CE1-CB 3.99Å; Y162-W166 HydrophobicContact CE1-CG 4.3Å; Y162-W166 VanDerWaalsContact O-CB 3.3Å; Y162-W166 WeakPolarHBondContact O-CB 3.39Å; Y162-W166 PolarHBondContact O-N 3.23Å; L163-W166 PolarHBondContact O-N 3.42Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.49Å; W166-Y169 CarbonylContact O-C 3.58Å; W166-Y169 PolarHBondContact O-N 3.15Å; W166-T170 HydrophobicContact CH2-CG2 4.14Å; W166-T170 HydrophobicContact CZ2-CG2 3.68Å; W166-T170 PolarHBondContact NE1-OG1 3.34Å; W166-T170 WeakPolarHBondContact O-CB 3.36Å; W166-T170 PolarHBondContact O-N 3.33Å; W166-T170 PolarHBondContact O-OG1 3.49Å
167	A	85.8	Confident	85.6	Confident	13 Å²	13	61 Å²	61	11%	0.107	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-46.6	178.1	0	0	0	0	0	111	I147 L163 K165 Y169 T170 L171	I147-A167 HydrophobicContact CD1-CB 4.31Å; I147-A167 HydrophobicContact CG1-CB 4.46Å; I147-A167 HydrophobicContact CG2-CB 4.28Å; L163-A167 WeakPolarHBondContact O-CB 3.49Å; L163-A167 PolarHBondContact O-N 3.22Å; K165-A167 PolarHBondContact O-N 3.19Å; A167-Y169 VanDerWaalsContact C-N 3.35Å; A167-Y169 PolarHBondContact O-N 3.29Å; A167-T170 PolarHBondContact O-N 3.38Å; A167-L171 HydrophobicContact CB-CD1 3.95Å; A167-L171 HydrophobicContact CB-CG 4.5Å; A167-L171 VanDerWaalsContact O-CB 3.27Å; A167-L171 WeakPolarHBondContact O-CB 3.32Å; A167-L171 WeakPolarHBondContact O-CG 3.33Å; A167-L171 PolarHBondContact O-N 3.26Å
168	R	87.4	Confident	85.8	Confident	30 Å²	30	59.3 Å²	59.3	11%	0.113	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-42.8	177.1	-175.8	177.5	-178.3	127.9	2.9	112.8	I147 F151 Y152 I164 K165 W166	I147-R168 HydrophobicContact CG2-CB 3.75Å; I147-R168 HydrophobicContact CG2-CG 4.46Å; F151-R168 HydrophobicContact CD2-CB 4.34Å; F151-R168 HydrophobicContact CD2-CG 4.49Å; Y152-R168 VanDerWaalsContact CE1-NH1 3.27Å; Y152-R168 PolarHBondContact OH-NH2 2.77Å; I164-R168 WeakPolarHBondContact O-CB 3.42Å; I164-R168 PolarHBondContact O-N 3.34Å; K165-R168 PolarHBondContact O-N 3.02Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.49Å
169	Y	83.4	Confident	86.2	Confident	14 Å²	14	52 Å²	52	6%	0.055	26%	0.259	C	S	.	.	H	α-helix	trans	-92.5	3.7	-176.6	-67.7	-69	0	0	0	114.2	F151 K165 W166 A167 F172 M236 Q239 R240 I243	F151-Y169 HydrophobicContact CE2-CE2 4.22Å; K165-Y169 HydrophobicContact CG-CD2 4.06Å; K165-Y169 HydrophobicContact CG-CE2 4.14Å; K165-Y169 WeakPolarHBondContact O-CD2 3.39Å; K165-Y169 PolarHBondContact O-N 3.24Å; K165-Y169 VanDerWaalsContact O-N 3.15Å; W166-Y169 CarbonylContact O-C 3.58Å; W166-Y169 PolarHBondContact O-N 3.15Å; A167-Y169 VanDerWaalsContact C-N 3.35Å; A167-Y169 PolarHBondContact O-N 3.29Å; Y169-F172 WeakPolarHBondContact O-CD1 3.41Å; Y169-F172 WeakPolarHBondContact O-CE1 3.13Å; Y169-M236 HydrophobicContact CD1-CE 4.36Å; Y169-Q239 HydrophobicContact CE1-CB 4.23Å; Y169-R240 WeakPolarHBondContact O-CD 3.48Å; Y169-R240 VanDerWaalsContact O-CG 3.22Å; Y169-R240 WeakPolarHBondContact O-CG 3.46Å; Y169-R240 PolarHBondContact O-NE 3.2Å; Y169-I243 HydrophobicContact CD1-CD1 4.5Å; Y169-I243 HydrophobicContact CD2-CG2 4.13Å; Y169-I243 HydrophobicContact CE1-CD1 3.61Å; Y169-I243 HydrophobicContact CE2-CB 4.41Å; Y169-I243 HydrophobicContact CE2-CD1 3.93Å; Y169-I243 HydrophobicContact CE2-CG2 3.82Å; Y169-I243 WeakPolarHBondContact OH-CD1 3.29Å
170	T	85.1	Confident	86.4	Confident	24 Å²	24	46.3 Å²	46.3	15%	0.147	23%	0.234	C	C	.	.	H	α-helix	trans	-124.9	-45	179.2	-54.6	0	0	0	0	112.1	W166 A167 F172 I173	W166-T170 HydrophobicContact CH2-CG2 4.14Å; W166-T170 HydrophobicContact CZ2-CG2 3.68Å; W166-T170 PolarHBondContact NE1-OG1 3.34Å; W166-T170 WeakPolarHBondContact O-CB 3.36Å; W166-T170 PolarHBondContact O-N 3.33Å; W166-T170 PolarHBondContact O-OG1 3.49Å; A167-T170 PolarHBondContact O-N 3.38Å; T170-F172 PolarHBondContact O-N 3.04Å; T170-I173 WeakPolarHBondContact O-CB 3.4Å; T170-I173 WeakPolarHBondContact O-CG1 3.23Å; T170-I173 PolarHBondContact O-N 3.41Å; T170-I173 VanDerWaalsContact O-N 3.12Å
171	L	87.7	Confident	86.6	Confident	65 Å²	65	46.9 Å²	46.9	34%	0.34	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.3	-177.1	-64.7	176.6	0	0	0	113	I147 A167 I173 V174 L175	I147-L171 HydrophobicContact CD1-CB 4.44Å; I147-L171 HydrophobicContact CD1-CD1 3.52Å; A167-L171 HydrophobicContact CB-CD1 3.95Å; A167-L171 HydrophobicContact CB-CG 4.5Å; A167-L171 VanDerWaalsContact O-CB 3.27Å; A167-L171 WeakPolarHBondContact O-CB 3.32Å; A167-L171 WeakPolarHBondContact O-CG 3.33Å; A167-L171 PolarHBondContact O-N 3.26Å; L171-I173 PolarHBondContact O-N 2.89Å; L171-I173 VanDerWaalsContact O-N 3.11Å; L171-V174 PolarHBondContact O-N 3.47Å; L171-V174 VanDerWaalsContact O-N 3.16Å; L171-L175 HydrophobicContact CB-CD1 3.67Å; L171-L175 HydrophobicContact CB-CG 4.3Å; L171-L175 WeakPolarHBondContact O-CB 3.35Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 3.33Å
172	F	86.5	Confident	86.6	Confident	15 Å²	15	45 Å²	45	7%	0.066	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-25.9	174.4	87	-95.7	0	0	0	112.7	Y169 T170 V174 Y176 Y233 M236 I237 R240	Y169-F172 WeakPolarHBondContact O-CD1 3.41Å; Y169-F172 WeakPolarHBondContact O-CE1 3.13Å; T170-F172 PolarHBondContact O-N 3.04Å; F172-V174 PolarHBondContact O-N 2.86Å; F172-Y176 WeakPolarHBondContact O-CB 3.35Å; F172-Y176 PolarHBondContact O-N 2.97Å; F172-Y233 HydrophobicContact CD2-CD2 4.45Å; F172-Y233 HydrophobicContact CD2-CE2 4.25Å; F172-Y233 HydrophobicContact CE2-CD2 4.26Å; F172-Y233 HydrophobicContact CE2-CE2 4.01Å; F172-M236 HydrophobicContact CD1-CE 3.99Å; F172-M236 HydrophobicContact CD2-CB 3.76Å; F172-M236 HydrophobicContact CD2-CG 4.35Å; F172-M236 HydrophobicContact CE1-CB 4.13Å; F172-M236 HydrophobicContact CE1-CE 4.34Å; F172-M236 HydrophobicContact CE2-CB 3.35Å; F172-M236 HydrophobicContact CE2-CG 4.38Å; F172-M236 HydrophobicContact CG-CB 4.34Å; F172-M236 HydrophobicContact CG-CE 4.13Å; F172-M236 HydrophobicContact CZ-CB 3.54Å; F172-I237 HydrophobicContact CE2-CD1 3.97Å; F172-I237 HydrophobicContact CE2-CG1 4.13Å; F172-I237 HydrophobicContact CZ-CD1 3.6Å; F172-I237 HydrophobicContact CZ-CG1 3.97Å; F172-R240 HydrophobicContact CE1-CB 4.2Å
173	I	86.8	Confident	86.8	Confident	61 Å²	61	41.6 Å²	41.6	31%	0.313	22%	0.216	S	C	.	.	H	α-helix	trans	-59	-38.4	-179.9	-66.4	171.4	0	0	0	110.8	T170 L171 P177 I237	T170-I173 WeakPolarHBondContact O-CB 3.4Å; T170-I173 WeakPolarHBondContact O-CG1 3.23Å; T170-I173 PolarHBondContact O-N 3.41Å; T170-I173 VanDerWaalsContact O-N 3.12Å; L171-I173 PolarHBondContact O-N 2.89Å; L171-I173 VanDerWaalsContact O-N 3.11Å; I173-P177 WeakPolarHBondContact O-CD 3.24Å; I173-P177 VanDerWaalsContact O-CG 3.32Å; I173-P177 WeakPolarHBondContact O-CG 3.11Å; I173-I237 HydrophobicContact CG1-CD1 4.29Å
174	V	89.7	Confident	86.9	Confident	94 Å²	94	37.6 Å²	37.6	57%	0.57	20%	0.196	S	C	*	.	H	α-helix	trans	-97.9	-45.2	-179.7	179.6	0	0	0	0	111.2	L171 F172 Y176 P177 M178	L171-V174 PolarHBondContact O-N 3.47Å; L171-V174 VanDerWaalsContact O-N 3.16Å; F172-V174 PolarHBondContact O-N 2.86Å; V174-Y176 VanDerWaalsContact C-N 3.3Å; V174-Y176 PolarHBondContact O-N 3.18Å; V174-P177 WeakPolarHBondContact O-CD 3.27Å; V174-M178 HydrophobicContact CG1-CE 4.21Å; V174-M178 WeakPolarHBondContact O-CB 3.45Å; V174-M178 PolarHBondContact O-N 3.06Å; V174-M178 VanDerWaalsContact O-N 3.13Å
175	L	88.4	Confident	87	Confident	15 Å²	15	40.5 Å²	40.5	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-30.6	-174.6	-63.6	173.7	0	0	0	112.6	I143 L171 G179	I143-L175 HydrophobicContact CB-CD1 4.02Å; I143-L175 HydrophobicContact CB-CD2 4.15Å; I143-L175 HydrophobicContact CD1-CD2 3.93Å; I143-L175 HydrophobicContact CG2-CD1 3.51Å; I143-L175 HydrophobicContact CG2-CD2 4.22Å; L171-L175 HydrophobicContact CB-CD1 3.67Å; L171-L175 HydrophobicContact CB-CG 4.3Å; L171-L175 WeakPolarHBondContact O-CB 3.35Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.46Å; L171-L175 PolarHBondContact O-N 3.33Å; L175-G179 PolarHBondContact O-N 3.3Å
176	Y	85.9	Confident	87.3	Confident	35 Å²	35	38 Å²	38	14%	0.137	20%	0.2	C	C	.	.	H	α-helix	trans	-72.9	-50.9	-177.4	-168.9	-97.9	0	0	0	112.4	A2 F172 V174 M178 G179 V180 F229 L232 Y233	A2-Y176 HydrophobicContact CB-CE2 4.44Å; F172-Y176 WeakPolarHBondContact O-CB 3.35Å; F172-Y176 PolarHBondContact O-N 2.97Å; V174-Y176 VanDerWaalsContact C-N 3.3Å; V174-Y176 PolarHBondContact O-N 3.18Å; Y176-M178 VanDerWaalsContact C-N 3.34Å; Y176-M178 PolarHBondContact O-N 3.47Å; Y176-G179 PolarHBondContact O-N 2.9Å; Y176-V180 HydrophobicContact CE1-CG2 4.41Å; Y176-V180 WeakPolarHBondContact O-CG2 3.4Å; Y176-V180 PolarHBondContact O-N 3.39Å; Y176-V180 VanDerWaalsContact O-N 3.08Å; Y176-F229 AromaticContact CD1-CD2 3.88Å; Y176-F229 HydrophobicContact CD1-CD2 3.88Å; Y176-F229 AromaticContact CD1-CE2 3.38Å; Y176-F229 HydrophobicContact CD1-CE2 3.38Å; Y176-F229 HydrophobicContact CD1-CZ 4.24Å; Y176-F229 AromaticContact CE1-CD2 3.37Å; Y176-F229 HydrophobicContact CE1-CD2 3.37Å; Y176-F229 AromaticContact CE1-CE2 3.41Å; Y176-F229 HydrophobicContact CE1-CE2 3.41Å; Y176-F229 VanDerWaalsContact CE1-CE2 3.41Å; Y176-F229 HydrophobicContact CE1-CG 4.38Å; Y176-F229 HydrophobicContact CE1-CZ 4.44Å; Y176-L232 WeakPolarHBondContact OH-CB 3.18Å; Y176-L232 WeakPolarHBondContact OH-CD1 3.14Å; Y176-Y233 AromaticContact CD1-CD2 3.86Å; Y176-Y233 HydrophobicContact CD1-CD2 3.86Å
177	P	88.2	Confident	87.2	Confident	41 Å²	41	33.4 Å²	33.4	27%	0.266	18%	0.183	S	C	.	.	H	α-helix	trans	-58.7	-43.9	170.3	-22.6	32.8	0	0	0	112.4	I173 V174 G179 V180 S181 F229 Y233	I173-P177 WeakPolarHBondContact O-CD 3.24Å; I173-P177 VanDerWaalsContact O-CG 3.32Å; I173-P177 WeakPolarHBondContact O-CG 3.11Å; V174-P177 WeakPolarHBondContact O-CD 3.27Å; P177-G179 PolarHBondContact O-N 3.45Å; P177-V180 PolarHBondContact O-N 2.96Å; P177-S181 WeakPolarHBondContact O-CB 3.31Å; P177-S181 PolarHBondContact O-N 3.27Å; P177-S181 PolarHBondContact O-OG 3.43Å; P177-S181 VanDerWaalsContact O-OG 3.04Å; P177-F229 HydrophobicContact CB-CZ 4.32Å; P177-F229 HydrophobicContact CG-CZ 4.2Å; P177-Y233 HydrophobicContact CG-CE2 4.36Å
178	M	87.9	Confident	87.3	Confident	61 Å²	61	40 Å²	40	30%	0.3	21%	0.206	S	C	.	.	H	α-helix	trans	-57.8	-47.4	179.1	-179.6	-176.5	-73.7	0	0	112.3	L136 A140 V174 Y176 G182	L136-M178 HydrophobicContact CD1-CG 3.62Å; L136-M178 HydrophobicContact CD1-SD 4.26Å; L136-M178 HydrophobicContact CG-CG 3.78Å; A140-M178 HydrophobicContact CB-CB 4.33Å; A140-M178 HydrophobicContact CB-CG 4.04Å; A140-M178 HydrophobicContact CB-SD 4.15Å; V174-M178 HydrophobicContact CG1-CE 4.21Å; V174-M178 WeakPolarHBondContact O-CB 3.45Å; V174-M178 PolarHBondContact O-N 3.06Å; V174-M178 VanDerWaalsContact O-N 3.13Å; Y176-M178 VanDerWaalsContact C-N 3.34Å; Y176-M178 PolarHBondContact O-N 3.47Å; M178-G182 PolarHBondContact O-N 2.94Å
179	G	88.3	Confident	87.2	Confident	4 Å²	4	39.5 Å²	39.5	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-54.1	176.7	0	0	0	0	0	111.3	L175 Y176 P177 S181 G182 E183	L175-G179 PolarHBondContact O-N 3.3Å; Y176-G179 PolarHBondContact O-N 2.9Å; P177-G179 PolarHBondContact O-N 3.45Å; G179-S181 VanDerWaalsContact C-N 3.35Å; G179-S181 PolarHBondContact O-N 3.47Å; G179-G182 PolarHBondContact O-N 3.49Å; G179-G182 VanDerWaalsContact O-N 3.08Å; G179-E183 VanDerWaalsContact O-CG 3.26Å; G179-E183 WeakPolarHBondContact O-CG 3.49Å; G179-E183 PolarHBondContact O-N 2.92Å
180	V	87	Confident	87.3	Confident	15 Å²	15	38.9 Å²	38.9	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-41.2	-177.4	168.7	0	0	0	0	112.4	Y176 P177 E183 L184 Y225 F229	Y176-V180 HydrophobicContact CE1-CG2 4.41Å; Y176-V180 WeakPolarHBondContact O-CG2 3.4Å; Y176-V180 PolarHBondContact O-N 3.39Å; Y176-V180 VanDerWaalsContact O-N 3.08Å; P177-V180 PolarHBondContact O-N 2.96Å; V180-E183 PolarHBondContact O-N 2.99Å; V180-L184 HydrophobicContact CG1-CD1 3.93Å; V180-L184 HydrophobicContact CG1-CG 4.41Å; V180-L184 WeakPolarHBondContact O-CB 3.16Å; V180-L184 WeakPolarHBondContact O-CG 3.24Å; V180-L184 PolarHBondContact O-N 3.06Å; V180-Y225 HydrophobicContact CG1-CD1 3.55Å; V180-Y225 HydrophobicContact CG1-CE1 4.01Å; V180-Y225 HydrophobicContact CG2-CD1 4.4Å; V180-Y225 HydrophobicContact CG2-CE1 4.25Å; V180-F229 HydrophobicContact CB-CD2 4.1Å; V180-F229 HydrophobicContact CB-CE2 4.12Å; V180-F229 HydrophobicContact CG1-CD2 3.88Å; V180-F229 HydrophobicContact CG1-CE2 4.24Å; V180-F229 HydrophobicContact CG2-CD2 3.88Å; V180-F229 HydrophobicContact CG2-CE2 4.09Å
181	S	88.1	Confident	87.2	Confident	58 Å²	58	38.7 Å²	38.7	41%	0.406	20%	0.204	S	C	.	.	H	α-helix	trans	-60.9	-44.3	173.8	-65.5	0	0	0	0	111.7	P177 G179 L184 L185	P177-S181 WeakPolarHBondContact O-CB 3.31Å; P177-S181 PolarHBondContact O-N 3.27Å; P177-S181 PolarHBondContact O-OG 3.43Å; P177-S181 VanDerWaalsContact O-OG 3.04Å; G179-S181 VanDerWaalsContact C-N 3.35Å; G179-S181 PolarHBondContact O-N 3.47Å; S181-L184 PolarHBondContact O-N 3.47Å; S181-L185 WeakPolarHBondContact O-CB 3.22Å; S181-L185 WeakPolarHBondContact O-CG 3.22Å; S181-L185 PolarHBondContact O-N 3.37Å
182	G	86.9	Confident	86.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-43.8	177	0	0	0	0	0	112.6	M178 G179 T186	M178-G182 PolarHBondContact O-N 2.94Å; G179-G182 PolarHBondContact O-N 3.49Å; G179-G182 VanDerWaalsContact O-N 3.08Å; G182-T186 VanDerWaalsContact O-CB 3.3Å; G182-T186 WeakPolarHBondContact O-CB 3.1Å; G182-T186 PolarHBondContact O-N 3.13Å; G182-T186 PolarHBondContact O-OG1 2.84Å
183	E	88.3	Confident	86.6	Confident	20 Å²	20	41.2 Å²	41.2	9%	0.093	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-47.9	176.5	-62.1	172.9	178.8	0	0	111.5	L117 F137 W141 G179 V180 T186 I187 Y225	L117-E183 HydrophobicContact CD2-CB 4Å; L117-E183 HydrophobicContact CD2-CG 3.6Å; F137-E183 HydrophobicContact CB-CG 4.02Å; F137-E183 HydrophobicContact CG-CG 4.36Å; W141-E183 HydrophobicContact CZ2-CG 4.02Å; W141-E183 WeakPolarHBondContact CZ2-OE1 3.14Å; W141-E183 PolarHBondContact NE1-OE1 3.26Å; G179-E183 VanDerWaalsContact O-CG 3.26Å; G179-E183 WeakPolarHBondContact O-CG 3.49Å; G179-E183 PolarHBondContact O-N 2.92Å; V180-E183 PolarHBondContact O-N 2.99Å; E183-T186 WeakPolarHBondContact O-CB 3.12Å; E183-T186 PolarHBondContact O-N 2.78Å; E183-I187 VanDerWaalsContact O-CG1 3.32Å; E183-I187 WeakPolarHBondContact O-CG1 3.3Å; E183-I187 PolarHBondContact O-N 3.49Å; E183-Y225 WeakPolarHBondContact OE2-CE1 3.44Å; E183-Y225 PolarHBondContact OE2-OH 3.05Å
184	L	87.9	Confident	86.2	Confident	44 Å²	44	38.3 Å²	38.3	23%	0.23	20%	0.204	C	C	.	.	H	α-helix	trans	-66	-42	-179.8	-74.7	174	0	0	0	112.6	V180 S181 T186 I187 Y188 M222 Y225	V180-L184 HydrophobicContact CG1-CD1 3.93Å; V180-L184 HydrophobicContact CG1-CG 4.41Å; V180-L184 WeakPolarHBondContact O-CB 3.16Å; V180-L184 WeakPolarHBondContact O-CG 3.24Å; V180-L184 PolarHBondContact O-N 3.06Å; S181-L184 PolarHBondContact O-N 3.47Å; L184-T186 VanDerWaalsContact C-N 3.33Å; L184-I187 PolarHBondContact O-N 3.44Å; L184-Y188 VanDerWaalsContact O-CB 3.31Å; L184-Y188 WeakPolarHBondContact O-CB 3.5Å; L184-Y188 PolarHBondContact O-N 3.43Å; L184-M222 HydrophobicContact CD2-CB 4.05Å; L184-M222 HydrophobicContact CD2-CG 3.96Å; L184-Y225 HydrophobicContact CD1-CD1 4.5Å; L184-Y225 HydrophobicContact CD1-CG 4.43Å; L184-Y225 HydrophobicContact CD2-CD1 4.41Å; L184-Y225 HydrophobicContact CD2-CD2 3.9Å; L184-Y225 HydrophobicContact CD2-CE2 4.45Å; L184-Y225 HydrophobicContact CD2-CG 3.89Å; L184-Y225 HydrophobicContact CG-CD1 4.4Å; L184-Y225 HydrophobicContact CG-CG 4.33Å
185	L	88.6	Confident	85.5	Confident	91 Å²	91	42.7 Å²	42.7	48%	0.476	21%	0.21	S	C	.	.	H	α-helix	trans	-64.7	-39.1	176.1	-71.9	171	0	0	0	111.4	S181 Y188 A189	S181-L185 WeakPolarHBondContact O-CB 3.22Å; S181-L185 WeakPolarHBondContact O-CG 3.22Å; S181-L185 PolarHBondContact O-N 3.37Å; L185-Y188 PolarHBondContact O-N 3.07Å; L185-A189 WeakPolarHBondContact O-CB 3.43Å; L185-A189 PolarHBondContact O-N 3.04Å
186	T	87.4	Confident	84.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-46.8	175.3	-59.8	0	0	0	0	110.8	L117 V121 T122 V128 S133 V134 F137 G182 E183 L184 A189 A190	L117-T186 HydrophobicContact CD1-CG2 4.43Å; V121-T186 HydrophobicContact CG1-CG2 4.14Å; T122-T186 HydrophobicContact CG2-CG2 3.71Å; V128-T186 HydrophobicContact CG1-CG2 3.45Å; V128-T186 VanDerWaalsContact CG1-CG2 3.45Å; S133-T186 PolarHBondContact OG-OG1 3.29Å; V134-T186 HydrophobicContact CG2-CG2 4.04Å; F137-T186 WeakPolarHBondContact CD1-OG1 3.48Å; F137-T186 HydrophobicContact CE1-CG2 4.01Å; F137-T186 WeakPolarHBondContact CE1-OG1 3.29Å; G182-T186 VanDerWaalsContact O-CB 3.3Å; G182-T186 WeakPolarHBondContact O-CB 3.1Å; G182-T186 PolarHBondContact O-N 3.13Å; G182-T186 PolarHBondContact O-OG1 2.84Å; E183-T186 WeakPolarHBondContact O-CB 3.12Å; E183-T186 PolarHBondContact O-N 2.78Å; L184-T186 VanDerWaalsContact C-N 3.33Å; T186-A189 PolarHBondContact O-N 3.33Å; T186-A190 WeakPolarHBondContact O-CB 3.31Å; T186-A190 PolarHBondContact O-N 3.32Å; T186-A190 VanDerWaalsContact O-N 3.07Å
187	I	86.8	Confident	83.7	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-43.9	177.2	-65.5	165.6	0	0	0	110.4	L117 V121 E183 L184 A189 A190 L191 L218 I221 M222	L117-I187 HydrophobicContact CD1-CD1 4Å; L117-I187 HydrophobicContact CD1-CG1 3.71Å; V121-I187 HydrophobicContact CG1-CG1 4.45Å; V121-I187 HydrophobicContact CG2-CG1 4.27Å; E183-I187 VanDerWaalsContact O-CG1 3.32Å; E183-I187 WeakPolarHBondContact O-CG1 3.3Å; E183-I187 PolarHBondContact O-N 3.49Å; L184-I187 PolarHBondContact O-N 3.44Å; I187-A189 PolarHBondContact O-N 3.13Å; I187-A190 WeakPolarHBondContact O-CB 3.5Å; I187-A190 PolarHBondContact O-N 3.22Å; I187-A190 VanDerWaalsContact O-N 3.09Å; I187-L191 WeakPolarHBondContact O-CG 3.43Å; I187-L191 PolarHBondContact O-N 3.39Å; I187-L191 VanDerWaalsContact O-N 3.15Å; I187-L218 HydrophobicContact CG2-CB 4.05Å; I187-L218 HydrophobicContact CG2-CD2 4.14Å; I187-I221 HydrophobicContact CD1-CG2 4.13Å; I187-M222 HydrophobicContact CB-CG 4.26Å; I187-M222 HydrophobicContact CB-SD 4.37Å; I187-M222 HydrophobicContact CG2-CG 3.67Å; I187-M222 HydrophobicContact CG2-SD 3.74Å
188	Y	86.8	Confident	82.5	Confident	151 Å²	151	51 Å²	51	59%	0.592	27%	0.268	S	S	*	.	H	α-helix	trans	-59.6	-46	178.4	-179.5	-102.2	0	0	0	112.1	L184 L185 A190 L191 P192 M222	L184-Y188 VanDerWaalsContact O-CB 3.31Å; L184-Y188 WeakPolarHBondContact O-CB 3.5Å; L184-Y188 PolarHBondContact O-N 3.43Å; L185-Y188 PolarHBondContact O-N 3.07Å; Y188-A190 PolarHBondContact O-N 3.11Å; Y188-L191 HydrophobicContact CD2-CD1 4.07Å; Y188-L191 WeakPolarHBondContact O-CB 3.29Å; Y188-L191 PolarHBondContact O-N 2.86Å; Y188-P192 WeakPolarHBondContact O-CD 2.96Å; Y188-M222 HydrophobicContact CD2-CE 4.18Å
189	A	86.4	Confident	81.2	Confident	20 Å²	20	50.7 Å²	50.7	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-30	175.5	0	0	0	0	0	112.3	V128 E131 L185 T186 I187 P192 F193	V128-A189 HydrophobicContact CG1-CB 4.42Å; V128-A189 HydrophobicContact CG2-CB 4.2Å; E131-A189 HydrophobicContact CG-CB 4.33Å; L185-A189 WeakPolarHBondContact O-CB 3.43Å; L185-A189 PolarHBondContact O-N 3.04Å; T186-A189 PolarHBondContact O-N 3.33Å; I187-A189 PolarHBondContact O-N 3.13Å; A189-P192 WeakPolarHBondContact O-CD 3.29Å; A189-P192 WeakPolarHBondContact O-CG 3.48Å; A189-F193 WeakPolarHBondContact O-CD2 3.29Å; A189-F193 WeakPolarHBondContact O-CE2 3.16Å
190	A	84.9	Confident	79.8	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-74.1	-28.2	176.7	0	0	0	0	0	114	V121 V125 V128 T186 I187 Y188 F193 V194	V121-A190 HydrophobicContact CG1-CB 3.73Å; V125-A190 HydrophobicContact CB-CB 4.46Å; V125-A190 HydrophobicContact CG2-CB 4.19Å; V128-A190 HydrophobicContact CG2-CB 3.86Å; T186-A190 WeakPolarHBondContact O-CB 3.31Å; T186-A190 PolarHBondContact O-N 3.32Å; T186-A190 VanDerWaalsContact O-N 3.07Å; I187-A190 WeakPolarHBondContact O-CB 3.5Å; I187-A190 PolarHBondContact O-N 3.22Å; I187-A190 VanDerWaalsContact O-N 3.09Å; Y188-A190 PolarHBondContact O-N 3.11Å; A190-F193 PolarHBondContact O-N 2.78Å; A190-V194 WeakPolarHBondContact O-CG2 3.04Å; A190-V194 PolarHBondContact O-N 3.46Å
191	L	83.8	Confident	78.5	Confident	21 Å²	21	57.8 Å²	57.8	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-52.1	-50.3	-175.7	-66	176.4	0	0	0	114.7	I187 Y188 F193 V194 R195 L218 I219 M222	I187-L191 WeakPolarHBondContact O-CG 3.43Å; I187-L191 PolarHBondContact O-N 3.39Å; I187-L191 VanDerWaalsContact O-N 3.15Å; Y188-L191 HydrophobicContact CD2-CD1 4.07Å; Y188-L191 WeakPolarHBondContact O-CB 3.29Å; Y188-L191 PolarHBondContact O-N 2.86Å; L191-F193 VanDerWaalsContact C-N 3.32Å; L191-F193 PolarHBondContact O-N 3.35Å; L191-V194 PolarHBondContact O-N 2.94Å; L191-R195 WeakPolarHBondContact O-CB 3.28Å; L191-R195 PolarHBondContact O-N 3.25Å; L191-L218 HydrophobicContact CD2-CB 3.68Å; L191-L218 HydrophobicContact CD2-CD1 4.18Å; L191-I219 HydrophobicContact CD1-CG1 4.45Å; L191-I219 HydrophobicContact CD2-CG1 4.21Å; L191-M222 HydrophobicContact CD1-SD 4.01Å
192	P	81	Confident	77.2	Confident	62 Å²	62	58.4 Å²	58.4	40%	0.403	30%	0.295	S	S	.	.	H	α-helix	trans	-61.7	-39.8	-179.4	23.1	-34.2	0	0	0	112.3	Y188 A189 R195 Q196	Y188-P192 WeakPolarHBondContact O-CD 2.96Å; A189-P192 WeakPolarHBondContact O-CD 3.29Å; A189-P192 WeakPolarHBondContact O-CG 3.48Å; P192-R195 PolarHBondContact O-N 3.36Å; P192-Q196 WeakPolarHBondContact O-CB 3.41Å; P192-Q196 VanDerWaalsContact O-CG 3.26Å; P192-Q196 WeakPolarHBondContact O-CG 3.34Å; P192-Q196 PolarHBondContact O-N 3.01Å
193	F	79.3	Confident	76	Confident	70 Å²	70	62.7 Å²	62.7	31%	0.307	33%	0.325	S	S	.	.	H	α-helix	trans	-69	-41.9	178.9	-58.7	-72.9	0	0	0	111.9	V125 E127 V128 A189 A190 L191 R195 Q196 A197	V125-F193 HydrophobicContact CG1-CB 3.6Å; V125-F193 HydrophobicContact CG1-CD2 3.85Å; V125-F193 HydrophobicContact CG1-CG 3.88Å; E127-F193 HydrophobicContact CB-CD1 4.18Å; E127-F193 HydrophobicContact CB-CD2 4.23Å; E127-F193 HydrophobicContact CB-CE1 3.85Å; E127-F193 HydrophobicContact CB-CE2 3.91Å; E127-F193 HydrophobicContact CB-CG 4.36Å; E127-F193 HydrophobicContact CB-CZ 3.71Å; E127-F193 HydrophobicContact CG-CD1 3.95Å; E127-F193 HydrophobicContact CG-CE1 3.74Å; E127-F193 HydrophobicContact CG-CZ 4.13Å; V128-F193 HydrophobicContact CG2-CD2 4.32Å; A189-F193 WeakPolarHBondContact O-CD2 3.29Å; A189-F193 WeakPolarHBondContact O-CE2 3.16Å; A190-F193 PolarHBondContact O-N 2.78Å; L191-F193 VanDerWaalsContact C-N 3.32Å; L191-F193 PolarHBondContact O-N 3.35Å; F193-R195 VanDerWaalsContact C-N 3.32Å; F193-R195 PolarHBondContact O-N 2.8Å; F193-Q196 PolarHBondContact O-N 3.3Å; F193-A197 WeakPolarHBondContact O-CB 3.3Å; F193-A197 PolarHBondContact O-N 3.23Å
194	V	78.8	Confident	74.3	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-60.5	-43.4	175.3	168	0	0	0	0	111.1	V125 A190 L191 G198 L199 Y214 H215 L218	V125-V194 HydrophobicContact CG2-CG2 3.88Å; A190-V194 WeakPolarHBondContact O-CG2 3.04Å; A190-V194 PolarHBondContact O-N 3.46Å; L191-V194 PolarHBondContact O-N 2.94Å; V194-G198 WeakPolarHBondContact O-CA 3.4Å; V194-G198 PolarHBondContact O-N 2.97Å; V194-L199 PolarHBondContact O-N 3.46Å; V194-Y214 HydrophobicContact CB-CD1 4.47Å; V194-Y214 HydrophobicContact CG1-CD1 3.51Å; V194-Y214 HydrophobicContact CG1-CE1 4.26Å; V194-Y214 HydrophobicContact CG1-CG 4.29Å; V194-Y214 HydrophobicContact CG2-CD1 4.07Å; V194-Y214 HydrophobicContact CG2-CE1 3.98Å; V194-H215 HydrophobicContact CG1-CB 4.29Å; V194-L218 HydrophobicContact CB-CD1 4.42Å; V194-L218 HydrophobicContact CG1-CD1 4.33Å; V194-L218 HydrophobicContact CG2-CD1 3.9Å
195	R	75.5	Confident	72.7	Confident	185 Å²	185	70.6 Å²	70.6	70%	0.698	38%	0.375	S	S	*	.	H	α-helix	trans	-66.6	-40.5	178.6	-175.1	177.7	179.6	152.1	-3.3	112.5	L191 P192 F193	L191-R195 WeakPolarHBondContact O-CB 3.28Å; L191-R195 PolarHBondContact O-N 3.25Å; P192-R195 PolarHBondContact O-N 3.36Å; F193-R195 VanDerWaalsContact C-N 3.32Å; F193-R195 PolarHBondContact O-N 2.8Å
196	Q	69.8	Low	71.4	Confident	162 Å²	162	69.4 Å²	69.4	76%	0.757	37%	0.369	S	S	*	.	H	α-helix	trans	-73.6	-41.6	-178.7	-74.8	175.5	3.6	0	0	112.6	P192 F193	P192-Q196 WeakPolarHBondContact O-CB 3.41Å; P192-Q196 VanDerWaalsContact O-CG 3.26Å; P192-Q196 WeakPolarHBondContact O-CG 3.34Å; P192-Q196 PolarHBondContact O-N 3.01Å; F193-Q196 PolarHBondContact O-N 3.3Å
197	A	66.1	Low	69.8	Low	67 Å²	67	78.6 Å²	78.6	55%	0.554	41%	0.409	S	S	*	.	H	α-helix	trans	-87.2	-7	-177.6	0	0	0	0	0	113.6	F193 L199	F193-A197 WeakPolarHBondContact O-CB 3.3Å; F193-A197 PolarHBondContact O-N 3.23Å; A197-L199 HydrophobicContact CB-CD1 4.04Å; A197-L199 HydrophobicContact CB-CD2 4.36Å; A197-L199 HydrophobicContact CB-CG 3.7Å; A197-L199 PolarHBondContact O-N 3.45Å
198	G	62.4	Low	68.6	Low	37 Å²	37	87.1 Å²	87.1	38%	0.381	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	27.4	-176.9	0	0	0	0	0	113.1	V194 Y200 S201	V194-G198 WeakPolarHBondContact O-CA 3.4Å; V194-G198 PolarHBondContact O-N 2.97Å; G198-Y200 PolarHBondContact O-N 3.18Å; G198-S201 PolarHBondContact O-N 3.3Å; G198-S201 VanDerWaalsContact O-N 3.08Å
199	L	61.5	Low	67.3	Low	55 Å²	55	86.2 Å²	86.2	29%	0.288	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	124	-170.6	-73	168.7	0	0	0	110.7	V125 V194 A197 S201 Y214	V125-L199 HydrophobicContact CG2-CD1 4.15Å; V194-L199 PolarHBondContact O-N 3.46Å; A197-L199 HydrophobicContact CB-CD1 4.04Å; A197-L199 HydrophobicContact CB-CD2 4.36Å; A197-L199 HydrophobicContact CB-CG 3.7Å; A197-L199 PolarHBondContact O-N 3.45Å; L199-S201 PolarHBondContact O-N 3.48Å; L199-S201 VanDerWaalsContact O-N 3.07Å; L199-Y214 VanDerWaalsContact O-CB 3.22Å; L199-Y214 WeakPolarHBondContact O-CB 3.29Å; L199-Y214 VanDerWaalsContact O-CD1 3.24Å; L199-Y214 WeakPolarHBondContact O-CD1 3.11Å
200	Y	58.4	Low	66	Low	135 Å²	135	91.1 Å²	91.1	53%	0.529	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	9.9	-176.5	-52.1	-72.1	0	0	0	115.6	S124 G198 I202 F212 Y214	S124-Y200 VanDerWaalsContact OG-CE2 3.32Å; S124-Y200 WeakPolarHBondContact OG-CE2 3.36Å; S124-Y200 PolarHBondContact OG-OH 3Å; G198-Y200 PolarHBondContact O-N 3.18Å; Y200-I202 PolarHBondContact O-N 3.02Å; Y200-F212 WeakPolarHBondContact O-CD1 3.21Å; Y200-Y214 AromaticContact CD2-CD1 3.9Å; Y200-Y214 HydrophobicContact CD2-CD1 3.9Å; Y200-Y214 AromaticContact CD2-CE1 3.85Å; Y200-Y214 HydrophobicContact CD2-CE1 3.85Å; Y200-Y214 HydrophobicContact CD2-CG 4.39Å
201	S	60.6	Low	64.8	Low	33 Å²	33	94.7 Å²	94.7	23%	0.231	49%	0.49	C	S	.	.			trans	-83.5	117.9	174.7	-68.9	0	0	0	0	110	G198 L199 F212 D213 Y214	G198-S201 PolarHBondContact O-N 3.3Å; G198-S201 VanDerWaalsContact O-N 3.08Å; L199-S201 PolarHBondContact O-N 3.48Å; L199-S201 VanDerWaalsContact O-N 3.07Å; S201-F212 CarbonylContact C-O 3.51Å; S201-F212 WeakPolarHBondContact CA-O 3.38Å; S201-D213 PolarHBondContact OG-OD1 3.41Å; S201-D213 VanDerWaalsContact OG-OD1 3.12Å; S201-Y214 PolarHBondContact OG-N 3.25Å; S201-Y214 VanDerWaalsContact OG-N 3.17Å
202	I	60.4	Low	64.1	Low	71 Å²	71	96.9 Å²	96.9	36%	0.364	50%	0.499	S	S	.	.	B	Isolated β-bridge	trans	-94.7	104.5	173.9	-61.4	176.8	0	0	0	106.3	Y200 N206 F210 S211 F212	Y200-I202 PolarHBondContact O-N 3.02Å; I202-N206 HydrophobicContact CG2-CB 4.02Å; I202-N206 WeakPolarHBondContact CG2-ND2 3.49Å; I202-F210 WeakPolarHBondContact CG2-O 3.49Å; I202-S211 VanDerWaalsContact O-CA 3.26Å; I202-S211 WeakPolarHBondContact O-CA 3.26Å; I202-S211 PolarHBondContact O-OG 2.98Å; I202-F212 HydrophobicContact CB-CB 4.42Å; I202-F212 PolarHBondContact N-O 3.25Å; I202-F212 PolarHBondContact O-N 2.85Å
203	S	60.6	Low	63.7	Low	90 Å²	90	97.4 Å²	97.4	63%	0.629	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-92.3	152	174	-56.9	0	0	0	0	110.8
204	L	52.9	Low	63.5	Low	93 Å²	93	94.5 Å²	94.5	49%	0.487	49%	0.486	S	S	.	.	S	Bend	trans	-69.5	149.9	172.4	-73.2	168.1	0	0	0	110.8	N209	L204-N209 WeakPolarHBondContact CD2-OD1 3.33Å
205	P	55	Low	63.3	Low	136 Å²	136	95.9 Å²	95.9	88%	0.883	49%	0.492	S	S	*	.	S	Bend	cis	-88.8	132.5	1.2	31.6	-29.7	0	0	0	113.3
206	N	60.4	Low	63.4	Low	67 Å²	67	89.4 Å²	89.4	36%	0.358	48%	0.478	S	S	.	.			trans	-126.5	151.7	171.9	-170.3	11.3	0	0	0	110	I202 Y208 N209	I202-N206 HydrophobicContact CG2-CB 4.02Å; I202-N206 WeakPolarHBondContact CG2-ND2 3.49Å; N206-Y208 PolarHBondContact O-N 3.43Å; N206-N209 PolarHBondContact O-N 3.5Å
207	K	54.5	Low	63.9	Low	193 Å²	193	85.2 Å²	85.2	84%	0.839	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-21	-174.7	-169.1	174.6	-179.3	179.4	0	114.5
208	Y	60.8	Low	64.6	Low	181 Å²	181	82 Å²	82	71%	0.71	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	4.7	-178.9	-59.5	-78.6	0	0	0	114.4	N206 F210	N206-Y208 PolarHBondContact O-N 3.43Å; Y208-F210 PolarHBondContact O-N 3.41Å; Y208-F210 VanDerWaalsContact O-N 3.1Å
209	N	59.7	Low	65.6	Low	132 Å²	132	83.5 Å²	83.5	71%	0.706	43%	0.429	S	S	*	.			trans	49.2	33.7	-177.7	-159.3	33.8	0	0	0	114.6	L204 N206	L204-N209 WeakPolarHBondContact CD2-OD1 3.33Å; N206-N209 PolarHBondContact O-N 3.5Å
210	F	59.9	Low	66.6	Low	123 Å²	123	86.1 Å²	86.1	54%	0.539	44%	0.443	S	S	.	.			trans	-113.2	128.5	-178.4	-175.1	-109.6	0	0	0	109.7	I202 Y208 F212	I202-F210 WeakPolarHBondContact CG2-O 3.49Å; Y208-F210 PolarHBondContact O-N 3.41Å; Y208-F210 VanDerWaalsContact O-N 3.1Å; F210-F212 HydrophobicContact CD1-CB 4.24Å; F210-F212 HydrophobicContact CE1-CB 3.7Å; F210-F212 HydrophobicContact CE1-CD2 4.35Å; F210-F212 HydrophobicContact CE1-CG 4.38Å; F210-F212 HydrophobicContact CZ-CB 4.45Å
211	S	59.3	Low	67.9	Low	74 Å²	74	80.9 Å²	80.9	52%	0.517	42%	0.424	S	S	.	.			trans	-105.2	123.8	171.7	-174.6	0	0	0	0	108.7	I202	I202-S211 VanDerWaalsContact O-CA 3.26Å; I202-S211 WeakPolarHBondContact O-CA 3.26Å; I202-S211 PolarHBondContact O-OG 2.98Å
212	F	68.4	Low	69	Low	68 Å²	68	81.3 Å²	81.3	30%	0.298	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-121.5	117.7	173	-177.1	-108.2	0	0	0	107.9	Y200 S201 I202 F210 Y214 F217	Y200-F212 WeakPolarHBondContact O-CD1 3.21Å; S201-F212 CarbonylContact C-O 3.51Å; S201-F212 WeakPolarHBondContact CA-O 3.38Å; I202-F212 HydrophobicContact CB-CB 4.42Å; I202-F212 PolarHBondContact N-O 3.25Å; I202-F212 PolarHBondContact O-N 2.85Å; F210-F212 HydrophobicContact CD1-CB 4.24Å; F210-F212 HydrophobicContact CE1-CB 3.7Å; F210-F212 HydrophobicContact CE1-CD2 4.35Å; F210-F212 HydrophobicContact CE1-CG 4.38Å; F210-F212 HydrophobicContact CZ-CB 4.45Å; F212-Y214 AromaticContact CE1-CD2 3.99Å; F212-Y214 HydrophobicContact CE1-CD2 3.99Å; F212-Y214 HydrophobicContact CZ-CD2 4.38Å; F212-F217 HydrophobicContact CE2-CB 4.2Å; F212-F217 HydrophobicContact CE2-CD2 4.33Å; F212-F217 HydrophobicContact CE2-CG 4.26Å; F212-F217 HydrophobicContact CZ-CB 3.88Å; F212-F217 HydrophobicContact CZ-CD1 4.17Å; F212-F217 HydrophobicContact CZ-CD2 4.3Å; F212-F217 AromaticContact CZ-CG 3.86Å; F212-F217 HydrophobicContact CZ-CG 3.86Å
213	D	73.9	Confident	70.2	Confident	73 Å²	73	82.7 Å²	82.7	39%	0.39	43%	0.43	S	S	.	.			trans	-102.2	107.6	173.2	-177.1	14.8	0	0	0	109.5	S201 H215 A216 F217	S201-D213 PolarHBondContact OG-OD1 3.41Å; S201-D213 VanDerWaalsContact OG-OD1 3.12Å; D213-H215 PolarHBondContact O-N 3.29Å; D213-H215 VanDerWaalsContact OD1-CB 3.29Å; D213-H215 WeakPolarHBondContact OD1-CB 3.44Å; D213-H215 PolarHBondContact OD1-N 3.16Å; D213-A216 HydrophobicContact CB-CB 4.03Å; D213-A216 PolarHBondContact O-N 3.15Å; D213-A216 PolarHBondContact OD2-N 2.95Å; D213-F217 PolarHBondContact O-N 3.38Å
214	Y	74.1	Confident	71.3	Confident	8 Å²	8	80.4 Å²	80.4	3%	0.031	41%	0.414	C	S	.	.	H	α-helix	trans	-64.3	-29.2	178.6	-171.9	-128	0	0	0	111.6	F116 A120 V194 L199 Y200 S201 F212 F217 L218	F116-Y214 HydrophobicContact CE2-CE2 4.15Å; F116-Y214 HydrophobicContact CZ-CE2 4.08Å; A120-Y214 VanDerWaalsContact CB-OH 3.25Å; A120-Y214 WeakPolarHBondContact CB-OH 3.17Å; A120-Y214 PolarHBondContact O-OH 3.17Å; V194-Y214 HydrophobicContact CB-CD1 4.47Å; V194-Y214 HydrophobicContact CG1-CD1 3.51Å; V194-Y214 HydrophobicContact CG1-CE1 4.26Å; V194-Y214 HydrophobicContact CG1-CG 4.29Å; V194-Y214 HydrophobicContact CG2-CD1 4.07Å; V194-Y214 HydrophobicContact CG2-CE1 3.98Å; L199-Y214 VanDerWaalsContact O-CB 3.22Å; L199-Y214 WeakPolarHBondContact O-CB 3.29Å; L199-Y214 VanDerWaalsContact O-CD1 3.24Å; L199-Y214 WeakPolarHBondContact O-CD1 3.11Å; Y200-Y214 AromaticContact CD2-CD1 3.9Å; Y200-Y214 HydrophobicContact CD2-CD1 3.9Å; Y200-Y214 AromaticContact CD2-CE1 3.85Å; Y200-Y214 HydrophobicContact CD2-CE1 3.85Å; Y200-Y214 HydrophobicContact CD2-CG 4.39Å; S201-Y214 PolarHBondContact OG-N 3.25Å; S201-Y214 VanDerWaalsContact OG-N 3.17Å; F212-Y214 AromaticContact CE1-CD2 3.99Å; F212-Y214 HydrophobicContact CE1-CD2 3.99Å; F212-Y214 HydrophobicContact CZ-CD2 4.38Å; Y214-F217 HydrophobicContact CD2-CD1 4.05Å; Y214-F217 HydrophobicContact CE2-CD1 4.02Å; Y214-F217 PolarHBondContact O-N 3.17Å; Y214-L218 HydrophobicContact CD1-CD1 4.23Å; Y214-L218 HydrophobicContact CE1-CD1 3.86Å; Y214-L218 HydrophobicContact CE1-CG 4.29Å; Y214-L218 HydrophobicContact CE2-CD2 4.18Å; Y214-L218 HydrophobicContact CE2-CG 4.23Å; Y214-L218 WeakPolarHBondContact O-CG 3.45Å; Y214-L218 PolarHBondContact O-N 3.44Å
215	H	75.8	Confident	72.6	Confident	30 Å²	30	77.9 Å²	77.9	14%	0.139	40%	0.398	C	S	.	.	H	α-helix	trans	-63.8	-49.6	175.4	-177	11.5	0	0	0	111.6	V194 D213 F217 L218 I219	V194-H215 HydrophobicContact CG1-CB 4.29Å; D213-H215 PolarHBondContact O-N 3.29Å; D213-H215 VanDerWaalsContact OD1-CB 3.29Å; D213-H215 WeakPolarHBondContact OD1-CB 3.44Å; D213-H215 PolarHBondContact OD1-N 3.16Å; H215-F217 VanDerWaalsContact C-N 3.3Å; H215-F217 PolarHBondContact O-N 3.26Å; H215-L218 PolarHBondContact O-N 2.95Å; H215-I219 WeakPolarHBondContact O-CG1 3.49Å; H215-I219 PolarHBondContact O-N 3.44Å; H215-I219 VanDerWaalsContact O-N 3.16Å
216	A	75.9	Confident	73.8	Confident	49 Å²	49	77.3 Å²	77.3	41%	0.405	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-37.6	176.2	0	0	0	0	0	112.1	D213 I219 L220	D213-A216 HydrophobicContact CB-CB 4.03Å; D213-A216 PolarHBondContact O-N 3.15Å; D213-A216 PolarHBondContact OD2-N 2.95Å; A216-I219 PolarHBondContact O-N 3.1Å; A216-L220 PolarHBondContact O-N 2.99Å
217	F	80.7	Confident	74.9	Confident	75 Å²	75	78.2 Å²	78.2	33%	0.329	40%	0.396	S	S	.	.	H	α-helix	trans	-62.5	-44.4	175.9	180	-107.6	0	0	0	112.7	F116 F212 D213 Y214 H215 I219 L220 I221	F116-F217 HydrophobicContact CE2-CD1 4.42Å; F116-F217 AromaticContact CE2-CE1 3.63Å; F116-F217 HydrophobicContact CE2-CE1 3.63Å; F116-F217 HydrophobicContact CZ-CD1 4.23Å; F116-F217 AromaticContact CZ-CE1 3.7Å; F116-F217 HydrophobicContact CZ-CE1 3.7Å; F212-F217 HydrophobicContact CE2-CB 4.2Å; F212-F217 HydrophobicContact CE2-CD2 4.33Å; F212-F217 HydrophobicContact CE2-CG 4.26Å; F212-F217 HydrophobicContact CZ-CB 3.88Å; F212-F217 HydrophobicContact CZ-CD1 4.17Å; F212-F217 HydrophobicContact CZ-CD2 4.3Å; F212-F217 AromaticContact CZ-CG 3.86Å; F212-F217 HydrophobicContact CZ-CG 3.86Å; D213-F217 PolarHBondContact O-N 3.38Å; Y214-F217 HydrophobicContact CD2-CD1 4.05Å; Y214-F217 HydrophobicContact CE2-CD1 4.02Å; Y214-F217 PolarHBondContact O-N 3.17Å; H215-F217 VanDerWaalsContact C-N 3.3Å; H215-F217 PolarHBondContact O-N 3.26Å; F217-I219 VanDerWaalsContact C-N 3.34Å; F217-I219 PolarHBondContact O-N 3.39Å; F217-L220 PolarHBondContact O-N 3.5Å; F217-I221 HydrophobicContact CD1-CD1 3.96Å; F217-I221 HydrophobicContact CE1-CD1 3.39Å; F217-I221 HydrophobicContact CE1-CG1 4.28Å; F217-I221 HydrophobicContact CE2-CD1 4.44Å; F217-I221 HydrophobicContact CZ-CD1 3.67Å; F217-I221 HydrophobicContact CZ-CG1 4.24Å; F217-I221 PolarHBondContact O-N 3.35Å
218	L	81.8	Confident	76.1	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-62.8	-39.3	175.8	-71.1	178	0	0	0	112.3	F116 V121 I187 L191 V194 Y214 H215 I221 M222	F116-L218 HydrophobicContact CE1-CD2 3.92Å; F116-L218 HydrophobicContact CZ-CD2 3.64Å; V121-L218 HydrophobicContact CG2-CD2 4.07Å; I187-L218 HydrophobicContact CG2-CB 4.05Å; I187-L218 HydrophobicContact CG2-CD2 4.14Å; L191-L218 HydrophobicContact CD2-CB 3.68Å; L191-L218 HydrophobicContact CD2-CD1 4.18Å; V194-L218 HydrophobicContact CB-CD1 4.42Å; V194-L218 HydrophobicContact CG1-CD1 4.33Å; V194-L218 HydrophobicContact CG2-CD1 3.9Å; Y214-L218 HydrophobicContact CD1-CD1 4.23Å; Y214-L218 HydrophobicContact CE1-CD1 3.86Å; Y214-L218 HydrophobicContact CE1-CG 4.29Å; Y214-L218 HydrophobicContact CE2-CD2 4.18Å; Y214-L218 HydrophobicContact CE2-CG 4.23Å; Y214-L218 WeakPolarHBondContact O-CG 3.45Å; Y214-L218 PolarHBondContact O-N 3.44Å; H215-L218 PolarHBondContact O-N 2.95Å; L218-I221 PolarHBondContact O-N 3.07Å; L218-M222 WeakPolarHBondContact O-CG 3.35Å; L218-M222 PolarHBondContact O-N 2.85Å
219	I	82.7	Confident	77	Confident	67 Å²	67	67 Å²	67	34%	0.344	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-45.3	174	-67.5	169.2	0	0	0	110.6	L191 H215 A216 F217 I221 M222 I223	L191-I219 HydrophobicContact CD1-CG1 4.45Å; L191-I219 HydrophobicContact CD2-CG1 4.21Å; H215-I219 WeakPolarHBondContact O-CG1 3.49Å; H215-I219 PolarHBondContact O-N 3.44Å; H215-I219 VanDerWaalsContact O-N 3.16Å; A216-I219 PolarHBondContact O-N 3.1Å; F217-I219 VanDerWaalsContact C-N 3.34Å; F217-I219 PolarHBondContact O-N 3.39Å; I219-I221 VanDerWaalsContact C-N 3.29Å; I219-I221 PolarHBondContact O-N 3.14Å; I219-M222 WeakPolarHBondContact O-CB 3.22Å; I219-M222 PolarHBondContact O-N 2.96Å; I219-M222 VanDerWaalsContact O-N 3.13Å; I219-I223 HydrophobicContact CG2-CD1 3.82Å; I219-I223 HydrophobicContact CG2-CG1 4.39Å; I219-I223 WeakPolarHBondContact O-CG1 3.21Å; I219-I223 PolarHBondContact O-N 3.14Å
220	L	83.7	Confident	78.1	Confident	110 Å²	110	63.2 Å²	63.2	58%	0.576	34%	0.336	S	S	*	.	H	α-helix	trans	-60.6	-40.4	177.8	-177.4	143.6	0	0	0	111.7	A216 F217 I223 S224	A216-L220 PolarHBondContact O-N 2.99Å; F217-L220 PolarHBondContact O-N 3.5Å; L220-I223 PolarHBondContact O-N 3.2Å; L220-S224 PolarHBondContact O-N 2.86Å
221	I	84.3	Confident	79.1	Confident	26 Å²	26	64.3 Å²	64.3	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-58.5	-51.7	172.6	-72.4	177.1	0	0	0	109.9	F116 I187 F217 L218 I219 I223 S224 Y225	F116-I221 HydrophobicContact CD1-CD1 4.04Å; F116-I221 HydrophobicContact CE1-CD1 3.37Å; F116-I221 HydrophobicContact CE2-CD1 4.33Å; F116-I221 HydrophobicContact CZ-CD1 3.54Å; I187-I221 HydrophobicContact CD1-CG2 4.13Å; F217-I221 HydrophobicContact CD1-CD1 3.96Å; F217-I221 HydrophobicContact CE1-CD1 3.39Å; F217-I221 HydrophobicContact CE1-CG1 4.28Å; F217-I221 HydrophobicContact CE2-CD1 4.44Å; F217-I221 HydrophobicContact CZ-CD1 3.67Å; F217-I221 HydrophobicContact CZ-CG1 4.24Å; F217-I221 PolarHBondContact O-N 3.35Å; L218-I221 PolarHBondContact O-N 3.07Å; I219-I221 VanDerWaalsContact C-N 3.29Å; I219-I221 PolarHBondContact O-N 3.14Å; I221-I223 VanDerWaalsContact C-N 3.3Å; I221-I223 PolarHBondContact O-N 3.33Å; I221-S224 WeakPolarHBondContact O-CB 3.13Å; I221-S224 PolarHBondContact O-N 3.37Å; I221-S224 PolarHBondContact O-OG 3.09Å; I221-Y225 HydrophobicContact CG2-CD2 4.38Å; I221-Y225 HydrophobicContact CG2-CE2 3.84Å; I221-Y225 VanDerWaalsContact O-CD2 3.29Å; I221-Y225 WeakPolarHBondContact O-CD2 3.42Å; I221-Y225 PolarHBondContact O-N 2.71Å
222	M	84.9	Confident	80.2	Confident	42 Å²	42	62.6 Å²	62.6	21%	0.207	33%	0.328	C	S	.	.	H	α-helix	trans	-57.1	-43	179.5	-68.1	179	71.6	0	0	112.2	L184 I187 Y188 L191 L218 I219 S224 Y225	L184-M222 HydrophobicContact CD2-CB 4.05Å; L184-M222 HydrophobicContact CD2-CG 3.96Å; I187-M222 HydrophobicContact CB-CG 4.26Å; I187-M222 HydrophobicContact CB-SD 4.37Å; I187-M222 HydrophobicContact CG2-CG 3.67Å; I187-M222 HydrophobicContact CG2-SD 3.74Å; Y188-M222 HydrophobicContact CD2-CE 4.18Å; L191-M222 HydrophobicContact CD1-SD 4.01Å; L218-M222 WeakPolarHBondContact O-CG 3.35Å; L218-M222 PolarHBondContact O-N 2.85Å; I219-M222 WeakPolarHBondContact O-CB 3.22Å; I219-M222 PolarHBondContact O-N 2.96Å; I219-M222 VanDerWaalsContact O-N 3.13Å; M222-S224 VanDerWaalsContact C-N 3.3Å; M222-S224 PolarHBondContact O-N 3.38Å; M222-Y225 WeakPolarHBondContact O-CB 3.28Å; M222-Y225 PolarHBondContact O-N 3.2Å
223	I	84.4	Confident	80.9	Confident	100 Å²	100	61.7 Å²	61.7	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-38.6	176.9	-67.5	169.7	0	0	0	110.9	I219 L220 I221 Y225 I226 P227	I219-I223 HydrophobicContact CG2-CD1 3.82Å; I219-I223 HydrophobicContact CG2-CG1 4.39Å; I219-I223 WeakPolarHBondContact O-CG1 3.21Å; I219-I223 PolarHBondContact O-N 3.14Å; L220-I223 PolarHBondContact O-N 3.2Å; I221-I223 VanDerWaalsContact C-N 3.3Å; I221-I223 PolarHBondContact O-N 3.33Å; I223-Y225 PolarHBondContact O-N 3.23Å; I223-I226 WeakPolarHBondContact O-CB 3.43Å; I223-I226 PolarHBondContact O-N 3.33Å; I223-P227 VanDerWaalsContact O-CD 3.28Å; I223-P227 WeakPolarHBondContact O-CD 3.46Å
224	S	84	Confident	81.4	Confident	41 Å²	41	63.9 Å²	63.9	29%	0.287	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-24.2	179.3	80.2	0	0	0	0	113.6	L220 I221 M222 I226 P227 I228	L220-S224 PolarHBondContact O-N 2.86Å; I221-S224 WeakPolarHBondContact O-CB 3.13Å; I221-S224 PolarHBondContact O-N 3.37Å; I221-S224 PolarHBondContact O-OG 3.09Å; M222-S224 VanDerWaalsContact C-N 3.3Å; M222-S224 PolarHBondContact O-N 3.38Å; S224-I226 VanDerWaalsContact C-N 3.27Å; S224-I226 PolarHBondContact O-N 3.02Å; S224-P227 VanDerWaalsContact O-CD 3.29Å; S224-P227 WeakPolarHBondContact O-CD 3.47Å; S224-P227 WeakPolarHBondContact O-CG 3.42Å; S224-I228 VanDerWaalsContact O-CB 3.31Å; S224-I228 WeakPolarHBondContact O-CB 3.2Å; S224-I228 VanDerWaalsContact O-CD1 3.29Å; S224-I228 WeakPolarHBondContact O-CD1 3.37Å; S224-I228 WeakPolarHBondContact O-CG1 3.42Å; S224-I228 PolarHBondContact O-N 3.38Å
225	Y	80.5	Confident	81.7	Confident	40 Å²	40	66.6 Å²	66.6	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-66.3	-28.8	175.3	-82.5	-105.3	0	0	0	112.4	V180 E183 L184 I221 M222 I223 I228 F229	V180-Y225 HydrophobicContact CG1-CD1 3.55Å; V180-Y225 HydrophobicContact CG1-CE1 4.01Å; V180-Y225 HydrophobicContact CG2-CD1 4.4Å; V180-Y225 HydrophobicContact CG2-CE1 4.25Å; E183-Y225 WeakPolarHBondContact OE2-CE1 3.44Å; E183-Y225 PolarHBondContact OE2-OH 3.05Å; L184-Y225 HydrophobicContact CD1-CD1 4.5Å; L184-Y225 HydrophobicContact CD1-CG 4.43Å; L184-Y225 HydrophobicContact CD2-CD1 4.41Å; L184-Y225 HydrophobicContact CD2-CD2 3.9Å; L184-Y225 HydrophobicContact CD2-CE2 4.45Å; L184-Y225 HydrophobicContact CD2-CG 3.89Å; L184-Y225 HydrophobicContact CG-CD1 4.4Å; L184-Y225 HydrophobicContact CG-CG 4.33Å; I221-Y225 HydrophobicContact CG2-CD2 4.38Å; I221-Y225 HydrophobicContact CG2-CE2 3.84Å; I221-Y225 VanDerWaalsContact O-CD2 3.29Å; I221-Y225 WeakPolarHBondContact O-CD2 3.42Å; I221-Y225 PolarHBondContact O-N 2.71Å; M222-Y225 WeakPolarHBondContact O-CB 3.28Å; M222-Y225 PolarHBondContact O-N 3.2Å; I223-Y225 PolarHBondContact O-N 3.23Å; Y225-I228 PolarHBondContact O-N 3.37Å; Y225-F229 WeakPolarHBondContact O-CB 3.04Å; Y225-F229 PolarHBondContact O-N 3.32Å
226	I	80.3	Confident	82	Confident	125 Å²	125	65.5 Å²	65.5	64%	0.641	34%	0.337	S	S	*	.	H	α-helix	trans	-60	-53	-177.4	-59.6	171.4	0	0	0	112.1	I223 S224 P230	I223-I226 WeakPolarHBondContact O-CB 3.43Å; I223-I226 PolarHBondContact O-N 3.33Å; S224-I226 VanDerWaalsContact C-N 3.27Å; S224-I226 PolarHBondContact O-N 3.02Å; I226-P230 WeakPolarHBondContact O-CD 3.26Å; I226-P230 WeakPolarHBondContact O-CG 3.5Å
227	P	82.4	Confident	82.5	Confident	85 Å²	85	64.7 Å²	64.7	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-76.5	-35	176.4	28.2	-35.1	0	0	0	113	I223 S224	I223-P227 VanDerWaalsContact O-CD 3.28Å; I223-P227 WeakPolarHBondContact O-CD 3.46Å; S224-P227 VanDerWaalsContact O-CD 3.29Å; S224-P227 WeakPolarHBondContact O-CD 3.47Å; S224-P227 WeakPolarHBondContact O-CG 3.42Å
228	I	79.8	Confident	82.6	Confident	83 Å²	83	66.9 Å²	66.9	43%	0.426	34%	0.337	S	S	.	.	H	α-helix	trans	-73.4	-41.2	-172.7	-65.8	172.6	0	0	0	111	S224 Y225 Q231 L232	S224-I228 VanDerWaalsContact O-CB 3.31Å; S224-I228 WeakPolarHBondContact O-CB 3.2Å; S224-I228 VanDerWaalsContact O-CD1 3.29Å; S224-I228 WeakPolarHBondContact O-CD1 3.37Å; S224-I228 WeakPolarHBondContact O-CG1 3.42Å; S224-I228 PolarHBondContact O-N 3.38Å; Y225-I228 PolarHBondContact O-N 3.37Å; I228-Q231 PolarHBondContact O-N 3.04Å; I228-L232 HydrophobicContact CG2-CD1 3.52Å; I228-L232 HydrophobicContact CG2-CG 4.02Å; I228-L232 VanDerWaalsContact O-CG 3.28Å; I228-L232 WeakPolarHBondContact O-CG 3.41Å; I228-L232 PolarHBondContact O-N 3.13Å; I228-L232 VanDerWaalsContact O-N 3.15Å
229	F	79.5	Confident	82.6	Confident	57 Å²	57	67.9 Å²	67.9	25%	0.25	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-53.7	-173.8	171.5	-94.9	0	0	0	113.5	Y176 P177 V180 Y225 Q231 L232 Y233	Y176-F229 AromaticContact CD1-CD2 3.88Å; Y176-F229 HydrophobicContact CD1-CD2 3.88Å; Y176-F229 AromaticContact CD1-CE2 3.38Å; Y176-F229 HydrophobicContact CD1-CE2 3.38Å; Y176-F229 HydrophobicContact CD1-CZ 4.24Å; Y176-F229 AromaticContact CE1-CD2 3.37Å; Y176-F229 HydrophobicContact CE1-CD2 3.37Å; Y176-F229 AromaticContact CE1-CE2 3.41Å; Y176-F229 HydrophobicContact CE1-CE2 3.41Å; Y176-F229 VanDerWaalsContact CE1-CE2 3.41Å; Y176-F229 HydrophobicContact CE1-CG 4.38Å; Y176-F229 HydrophobicContact CE1-CZ 4.44Å; P177-F229 HydrophobicContact CB-CZ 4.32Å; P177-F229 HydrophobicContact CG-CZ 4.2Å; V180-F229 HydrophobicContact CB-CD2 4.1Å; V180-F229 HydrophobicContact CB-CE2 4.12Å; V180-F229 HydrophobicContact CG1-CD2 3.88Å; V180-F229 HydrophobicContact CG1-CE2 4.24Å; V180-F229 HydrophobicContact CG2-CD2 3.88Å; V180-F229 HydrophobicContact CG2-CE2 4.09Å; Y225-F229 WeakPolarHBondContact O-CB 3.04Å; Y225-F229 PolarHBondContact O-N 3.32Å; F229-Q231 PolarHBondContact O-N 2.89Å; F229-L232 PolarHBondContact O-N 2.86Å; F229-Y233 VanDerWaalsContact O-CB 3.29Å; F229-Y233 WeakPolarHBondContact O-CB 3.29Å; F229-Y233 PolarHBondContact O-N 2.83Å
230	P	83.1	Confident	82.7	Confident	51 Å²	51	68.8 Å²	68.8	33%	0.331	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-43.3	-178.3	-22	33.9	0	0	0	112	I226 L232 Y233 F234	I226-P230 WeakPolarHBondContact O-CD 3.26Å; I226-P230 WeakPolarHBondContact O-CG 3.5Å; P230-L232 VanDerWaalsContact C-N 3.34Å; P230-L232 PolarHBondContact O-N 3.07Å; P230-Y233 PolarHBondContact O-N 3.32Å; P230-F234 HydrophobicContact CB-CD2 4.21Å; P230-F234 HydrophobicContact CB-CE2 4.07Å; P230-F234 WeakPolarHBondContact O-CB 3.35Å; P230-F234 WeakPolarHBondContact O-CD2 3.45Å; P230-F234 PolarHBondContact O-N 3.14Å
231	Q	82.5	Confident	82.7	Confident	146 Å²	146	71.4 Å²	71.4	68%	0.682	34%	0.343	S	S	*	.	H	α-helix	trans	-58.7	-46.6	-178.9	-175.4	178.8	-26.4	0	0	111.4	I228 F229 H235	I228-Q231 PolarHBondContact O-N 3.04Å; F229-Q231 PolarHBondContact O-N 2.89Å; Q231-H235 WeakPolarHBondContact O-CB 3.49Å; Q231-H235 PolarHBondContact O-N 3.5Å; Q231-H235 VanDerWaalsContact O-N 3.09Å
232	L	81.7	Confident	82.6	Confident	38 Å²	38	76 Å²	76	20%	0.199	36%	0.362	C	S	.	.	H	α-helix	trans	-71	-37.7	179.5	-62.2	-174.1	0	0	0	112.4	A3 Y176 I228 F229 P230 H235 M236	A3-L232 HydrophobicContact CB-CB 4.18Å; A3-L232 HydrophobicContact CB-CD1 3.66Å; A3-L232 HydrophobicContact CB-CD2 3.19Å; A3-L232 HydrophobicContact CB-CG 3.81Å; Y176-L232 WeakPolarHBondContact OH-CB 3.18Å; Y176-L232 WeakPolarHBondContact OH-CD1 3.14Å; I228-L232 HydrophobicContact CG2-CD1 3.52Å; I228-L232 HydrophobicContact CG2-CG 4.02Å; I228-L232 VanDerWaalsContact O-CG 3.28Å; I228-L232 WeakPolarHBondContact O-CG 3.41Å; I228-L232 PolarHBondContact O-N 3.13Å; I228-L232 VanDerWaalsContact O-N 3.15Å; F229-L232 PolarHBondContact O-N 2.86Å; P230-L232 VanDerWaalsContact C-N 3.34Å; P230-L232 PolarHBondContact O-N 3.07Å; L232-H235 PolarHBondContact O-N 3.45Å; L232-M236 PolarHBondContact O-N 3.26Å; L232-M236 VanDerWaalsContact O-N 3.17Å
233	Y	82.3	Confident	82.4	Confident	49 Å²	49	76.3 Å²	76.3	19%	0.192	36%	0.364	C	S	.	.	H	α-helix	trans	-64.9	-49.8	178.3	-176.1	-99.9	0	0	0	111.7	F172 Y176 P177 F229 P230 H235 M236 I237	F172-Y233 HydrophobicContact CD2-CD2 4.45Å; F172-Y233 HydrophobicContact CD2-CE2 4.25Å; F172-Y233 HydrophobicContact CE2-CD2 4.26Å; F172-Y233 HydrophobicContact CE2-CE2 4.01Å; Y176-Y233 AromaticContact CD1-CD2 3.86Å; Y176-Y233 HydrophobicContact CD1-CD2 3.86Å; P177-Y233 HydrophobicContact CG-CE2 4.36Å; F229-Y233 VanDerWaalsContact O-CB 3.29Å; F229-Y233 WeakPolarHBondContact O-CB 3.29Å; F229-Y233 PolarHBondContact O-N 2.83Å; P230-Y233 PolarHBondContact O-N 3.32Å; Y233-H235 VanDerWaalsContact C-N 3.29Å; Y233-H235 PolarHBondContact O-N 3.29Å; Y233-M236 WeakPolarHBondContact O-CB 3.49Å; Y233-M236 PolarHBondContact O-N 3.41Å; Y233-M236 VanDerWaalsContact O-N 3.16Å; Y233-I237 HydrophobicContact CD1-CG1 4.38Å; Y233-I237 HydrophobicContact CE1-CD1 4.36Å; Y233-I237 HydrophobicContact CE1-CG1 4.07Å; Y233-I237 WeakPolarHBondContact O-CG1 3.17Å; Y233-I237 PolarHBondContact O-N 3.16Å; Y233-I237 VanDerWaalsContact O-N 3.14Å
234	F	84	Confident	82	Confident	120 Å²	120	72.3 Å²	72.3	53%	0.526	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-41.3	176.1	-74.6	-58.9	0	0	0	111.1	P230 M236 I237 H238	P230-F234 HydrophobicContact CB-CD2 4.21Å; P230-F234 HydrophobicContact CB-CE2 4.07Å; P230-F234 WeakPolarHBondContact O-CB 3.35Å; P230-F234 WeakPolarHBondContact O-CD2 3.45Å; P230-F234 PolarHBondContact O-N 3.14Å; F234-M236 VanDerWaalsContact C-N 3.27Å; F234-M236 PolarHBondContact O-N 3.36Å; F234-I237 WeakPolarHBondContact O-CB 3.32Å; F234-I237 PolarHBondContact O-N 3.26Å; F234-I237 VanDerWaalsContact O-N 3.07Å; F234-H238 PolarHBondContact O-N 3.39Å; F234-H238 PolarHBondContact O-ND1 3.36Å
235	H	82.3	Confident	81.3	Confident	65 Å²	65	73 Å²	73	30%	0.301	35%	0.348	S	S	.	.	H	α-helix	trans	-55.3	-44.1	176.6	-173.3	-84.9	0	0	0	112	A6 Q231 L232 Y233 I237 H238 Q239	A6-H235 WeakPolarHBondContact CB-CE1 3.33Å; A6-H235 WeakPolarHBondContact CB-ND1 3.22Å; Q231-H235 WeakPolarHBondContact O-CB 3.49Å; Q231-H235 PolarHBondContact O-N 3.5Å; Q231-H235 VanDerWaalsContact O-N 3.09Å; L232-H235 PolarHBondContact O-N 3.45Å; Y233-H235 VanDerWaalsContact C-N 3.29Å; Y233-H235 PolarHBondContact O-N 3.29Å; H235-I237 VanDerWaalsContact C-N 3.34Å; H235-I237 PolarHBondContact O-N 3.45Å; H235-H238 WeakPolarHBondContact O-CB 3.2Å; H235-H238 PolarHBondContact O-N 3.11Å; H235-H238 VanDerWaalsContact O-N 3.17Å; H235-Q239 PolarHBondContact CE1-NE2 3.38Å; H235-Q239 WeakPolarHBondContact O-CG 3.45Å; H235-Q239 PolarHBondContact O-N 3.39Å
236	M	81.6	Confident	80.4	Confident	7 Å²	7	75.9 Å²	75.9	3%	0.034	36%	0.363	C	S	.	.	H	α-helix	trans	-64.4	-35.9	176.3	-74.4	-62	-63.7	0	0	114.1	A2 Y169 F172 L232 Y233 F234 H238 Q239 R240	A2-M236 VanDerWaalsContact C-SD 3.58Å; A2-M236 HydrophobicContact CB-CE 3.72Å; A2-M236 HydrophobicContact CB-CG 3.14Å; A2-M236 HydrophobicContact CB-SD 3.24Å; A2-M236 WeakPolarHBondContact CB-SD 3.27Å; Y169-M236 HydrophobicContact CD1-CE 4.36Å; F172-M236 HydrophobicContact CD1-CE 3.99Å; F172-M236 HydrophobicContact CD2-CB 3.76Å; F172-M236 HydrophobicContact CD2-CG 4.35Å; F172-M236 HydrophobicContact CE1-CB 4.13Å; F172-M236 HydrophobicContact CE1-CE 4.34Å; F172-M236 HydrophobicContact CE2-CB 3.35Å; F172-M236 HydrophobicContact CE2-CG 4.38Å; F172-M236 HydrophobicContact CG-CB 4.34Å; F172-M236 HydrophobicContact CG-CE 4.13Å; F172-M236 HydrophobicContact CZ-CB 3.54Å; L232-M236 PolarHBondContact O-N 3.26Å; L232-M236 VanDerWaalsContact O-N 3.17Å; Y233-M236 WeakPolarHBondContact O-CB 3.49Å; Y233-M236 PolarHBondContact O-N 3.41Å; Y233-M236 VanDerWaalsContact O-N 3.16Å; F234-M236 VanDerWaalsContact C-N 3.27Å; F234-M236 PolarHBondContact O-N 3.36Å; M236-H238 VanDerWaalsContact C-N 3.31Å; M236-Q239 PolarHBondContact O-N 3.06Å; M236-R240 WeakPolarHBondContact O-CB 3.02Å; M236-R240 PolarHBondContact O-N 3.2Å
237	I	85.4	Confident	79.2	Confident	32 Å²	32	71.5 Å²	71.5	16%	0.164	34%	0.342	C	S	.	.	H	α-helix	trans	-62.7	-41.9	173.3	-64.7	-74.6	0	0	0	110.3	F172 I173 Y233 F234 H235 Q239 R240 R241	F172-I237 HydrophobicContact CE2-CD1 3.97Å; F172-I237 HydrophobicContact CE2-CG1 4.13Å; F172-I237 HydrophobicContact CZ-CD1 3.6Å; F172-I237 HydrophobicContact CZ-CG1 3.97Å; I173-I237 HydrophobicContact CG1-CD1 4.29Å; Y233-I237 HydrophobicContact CD1-CG1 4.38Å; Y233-I237 HydrophobicContact CE1-CD1 4.36Å; Y233-I237 HydrophobicContact CE1-CG1 4.07Å; Y233-I237 WeakPolarHBondContact O-CG1 3.17Å; Y233-I237 PolarHBondContact O-N 3.16Å; Y233-I237 VanDerWaalsContact O-N 3.14Å; F234-I237 WeakPolarHBondContact O-CB 3.32Å; F234-I237 PolarHBondContact O-N 3.26Å; F234-I237 VanDerWaalsContact O-N 3.07Å; H235-I237 VanDerWaalsContact C-N 3.34Å; H235-I237 PolarHBondContact O-N 3.45Å; I237-Q239 VanDerWaalsContact C-N 3.35Å; I237-R240 PolarHBondContact O-N 3.19Å; I237-R241 WeakPolarHBondContact O-CG 3.09Å; I237-R241 PolarHBondContact O-N 2.93Å; I237-R241 VanDerWaalsContact O-N 3.1Å
238	H	84.4	Confident	77.8	Confident	120 Å²	120	72.1 Å²	72.1	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-62.8	-41.8	174.3	-67.8	89.1	0	0	0	111.7	F234 H235 M236 R241 K242	F234-H238 PolarHBondContact O-N 3.39Å; F234-H238 PolarHBondContact O-ND1 3.36Å; H235-H238 WeakPolarHBondContact O-CB 3.2Å; H235-H238 PolarHBondContact O-N 3.11Å; H235-H238 VanDerWaalsContact O-N 3.17Å; M236-H238 VanDerWaalsContact C-N 3.31Å; H238-R241 PolarHBondContact O-N 3.37Å; H238-K242 PolarHBondContact O-N 3.27Å
239	Q	81.4	Confident	76.2	Confident	21 Å²	21	73.1 Å²	73.1	10%	0.098	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-43.6	177	-60.5	-140.5	-52.7	0	0	113	A6 Y169 H235 M236 I237 R241 K242 I243	A6-Q239 VanDerWaalsContact CA-CD 3.44Å; A6-Q239 VanDerWaalsContact CA-OE1 3.24Å; A6-Q239 HydrophobicContact CB-CG 4.31Å; A6-Q239 VanDerWaalsContact CB-OE1 3.24Å; A6-Q239 PolarHBondContact O-NE2 3.46Å; Y169-Q239 HydrophobicContact CE1-CB 4.23Å; H235-Q239 PolarHBondContact CE1-NE2 3.38Å; H235-Q239 WeakPolarHBondContact O-CG 3.45Å; H235-Q239 PolarHBondContact O-N 3.39Å; M236-Q239 PolarHBondContact O-N 3.06Å; I237-Q239 VanDerWaalsContact C-N 3.35Å; Q239-R241 VanDerWaalsContact C-N 3.3Å; Q239-R241 PolarHBondContact O-N 3.28Å; Q239-K242 PolarHBondContact O-N 3.38Å; Q239-I243 WeakPolarHBondContact O-CB 3.44Å; Q239-I243 WeakPolarHBondContact O-CG1 3.43Å; Q239-I243 PolarHBondContact O-N 3.4Å
240	R	84.3	Confident	74.7	Confident	87 Å²	87	77.2 Å²	77.2	33%	0.328	36%	0.36	S	S	.	.	H	α-helix	trans	-54.9	-49.9	175.6	177	-173.5	-176.6	-92.1	-2.3	110.3	Y169 F172 M236 I237 K242 I243 L244	Y169-R240 WeakPolarHBondContact O-CD 3.48Å; Y169-R240 VanDerWaalsContact O-CG 3.22Å; Y169-R240 WeakPolarHBondContact O-CG 3.46Å; Y169-R240 PolarHBondContact O-NE 3.2Å; F172-R240 HydrophobicContact CE1-CB 4.2Å; M236-R240 WeakPolarHBondContact O-CB 3.02Å; M236-R240 PolarHBondContact O-N 3.2Å; I237-R240 PolarHBondContact O-N 3.19Å; R240-K242 PolarHBondContact O-N 3.29Å; R240-I243 PolarHBondContact O-N 3.02Å; R240-L244 HydrophobicContact CG-CD1 3.71Å; R240-L244 HydrophobicContact CG-CG 4.41Å; R240-L244 WeakPolarHBondContact O-CB 3.48Å; R240-L244 PolarHBondContact O-N 3.2Å
241	R	83.9	Confident	73	Confident	164 Å²	164	80.8 Å²	80.8	62%	0.619	37%	0.37	S	S	*	.	H	α-helix	trans	-56.1	-53.8	178.2	-69.9	179.8	-166.9	-162.9	3.6	110.1	I237 H238 Q239 I243 S245	I237-R241 WeakPolarHBondContact O-CG 3.09Å; I237-R241 PolarHBondContact O-N 2.93Å; I237-R241 VanDerWaalsContact O-N 3.1Å; H238-R241 PolarHBondContact O-N 3.37Å; Q239-R241 VanDerWaalsContact C-N 3.3Å; Q239-R241 PolarHBondContact O-N 3.28Å; R241-I243 PolarHBondContact O-N 3.01Å; R241-S245 WeakPolarHBondContact O-CB 3.07Å; R241-S245 PolarHBondContact O-N 3.07Å; R241-S245 PolarHBondContact O-OG 3.43Å
242	K	82.9	Confident	71.2	Confident	122 Å²	122	82.4 Å²	82.4	53%	0.53	38%	0.375	S	S	.	.	H	α-helix	trans	-58.8	-43.2	-178.2	-173	175.3	-178.6	176.6	0	113.7	H238 Q239 R240 H246	H238-K242 PolarHBondContact O-N 3.27Å; Q239-K242 PolarHBondContact O-N 3.38Å; R240-K242 PolarHBondContact O-N 3.29Å; K242-H246 PolarHBondContact O-CD2 3.43Å
243	I	79.2	Confident	69.4	Low	49 Å²	49	89.1 Å²	89.1	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-85.7	-37.4	-170	-66.1	170.6	0	0	0	111.8	K165 Y169 Q239 R240 R241 T247	K165-I243 HydrophobicContact CD-CG2 4.25Å; Y169-I243 HydrophobicContact CD1-CD1 4.5Å; Y169-I243 HydrophobicContact CD2-CG2 4.13Å; Y169-I243 HydrophobicContact CE1-CD1 3.61Å; Y169-I243 HydrophobicContact CE2-CB 4.41Å; Y169-I243 HydrophobicContact CE2-CD1 3.93Å; Y169-I243 HydrophobicContact CE2-CG2 3.82Å; Y169-I243 WeakPolarHBondContact OH-CD1 3.29Å; Q239-I243 WeakPolarHBondContact O-CB 3.44Å; Q239-I243 WeakPolarHBondContact O-CG1 3.43Å; Q239-I243 PolarHBondContact O-N 3.4Å; R240-I243 PolarHBondContact O-N 3.02Å; R241-I243 PolarHBondContact O-N 3.01Å; I243-T247 PolarHBondContact O-OG1 3.32Å
244	L	77.4	Confident	67.3	Low	17 Å²	17	97.3 Å²	97.3	9%	0.089	44%	0.443	C	S	.	.	H	α-helix	trans	-82.1	-31.6	179.6	-61.4	-179	0	0	0	112.2	R240 H246 T247 E248	R240-L244 HydrophobicContact CG-CD1 3.71Å; R240-L244 HydrophobicContact CG-CG 4.41Å; R240-L244 WeakPolarHBondContact O-CB 3.48Å; R240-L244 PolarHBondContact O-N 3.2Å; L244-H246 PolarHBondContact O-N 3.19Å; L244-T247 PolarHBondContact O-N 2.82Å; L244-E248 PolarHBondContact O-N 2.98Å
245	S	69.4	Low	66.5	Low	54 Å²	54	96.2 Å²	96.2	38%	0.378	44%	0.439	S	S	.	.	H	α-helix	trans	-63.2	-43.2	179.3	66	0	0	0	0	113	R241 T247 E248 E249	R241-S245 WeakPolarHBondContact O-CB 3.07Å; R241-S245 PolarHBondContact O-N 3.07Å; R241-S245 PolarHBondContact O-OG 3.43Å; S245-T247 PolarHBondContact O-N 3.39Å; S245-E248 PolarHBondContact O-N 3.43Å; S245-E249 PolarHBondContact O-N 3.49Å
246	H	59.9	Low	65.7	Low	102 Å²	102	97.8 Å²	97.8	47%	0.472	45%	0.446	S	S	.	.	H	α-helix	trans	-68.4	-21.4	179.2	-71.6	-54.8	0	0	0	113.7	K242 L244 E249 H250	K242-H246 PolarHBondContact O-CD2 3.43Å; L244-H246 PolarHBondContact O-N 3.19Å; H246-E249 IonicContact CE1-OE2 3.58Å; H246-E249 IonicContact ND1-OE2 3.39Å; H246-E249 PolarHBondContact ND1-OE2 3.26Å; H246-H250 PolarHBondContact O-N 3.22Å
247	T	56.4	Low	64.8	Low	33 Å²	33	102.9 Å²	102.9	20%	0.202	47%	0.469	C	S	.	.	H	α-helix	trans	-76.1	-32.4	175.6	-53.6	0	0	0	0	111.2	Y162 I243 L244 S245 K251	Y162-T247 HydrophobicContact CD2-CG2 4.12Å; Y162-T247 HydrophobicContact CE2-CG2 3.94Å; I243-T247 PolarHBondContact O-OG1 3.32Å; L244-T247 PolarHBondContact O-N 2.82Å; S245-T247 PolarHBondContact O-N 3.39Å; T247-K251 PolarHBondContact O-N 3Å
248	E	52.3	Low	63.6	Low	97 Å²	97	107.1 Å²	107.1	45%	0.453	49%	0.487	S	S	.	.	H	α-helix	trans	-76.3	-31.9	176.9	-62.4	-65.9	128.5	0	0	112.2	L244 S245 K252	L244-E248 PolarHBondContact O-N 2.98Å; S245-E248 PolarHBondContact O-N 3.43Å; E248-K252 PolarHBondContact O-N 2.91Å
249	E	46.7	Very low	62.3	Low	104 Å²	104	106.3 Å²	106.3	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-48.5	172.4	-74.7	177	157.8	0	0	111.1	S245 H246 K251 K252 F253	S245-E249 PolarHBondContact O-N 3.49Å; H246-E249 IonicContact CE1-OE2 3.58Å; H246-E249 IonicContact ND1-OE2 3.39Å; H246-E249 PolarHBondContact ND1-OE2 3.26Å; E249-K251 VanDerWaalsContact C-N 3.28Å; E249-K251 PolarHBondContact O-N 2.82Å; E249-K252 PolarHBondContact O-N 2.96Å; E249-F253 WeakPolarHBondContact O-CD2 3.09Å; E249-F253 PolarHBondContact O-N 3.13Å
250	H	47.9	Very low	61	Low	144 Å²	144	111.9 Å²	111.9	67%	0.667	51%	0.508	S	S	*	.	H	α-helix	trans	-59.3	-36.1	177.7	-97.4	-80.7	0	0	0	113.5	H246 K252 F253	H246-H250 PolarHBondContact O-N 3.22Å; H250-K252 VanDerWaalsContact C-N 3.33Å; H250-F253 PolarHBondContact O-N 2.91Å
251	K	47.8	Very low	59.4	Low	125 Å²	125	113.7 Å²	113.7	54%	0.543	52%	0.521	S	S	.	.	H	α-helix	trans	-73.1	-19.7	175	-82.1	-173.6	173.9	-175.3	0	114.7	T247 E249	T247-K251 PolarHBondContact O-N 3Å; E249-K251 VanDerWaalsContact C-N 3.28Å; E249-K251 PolarHBondContact O-N 2.82Å
252	K	43.3	Very low	57.5	Low	181 Å²	181	109.8 Å²	109.8	79%	0.787	51%	0.514	S	S	*	.	H	α-helix	trans	-84.3	-13.8	176.5	-92.4	-173.8	174.6	-175.5	0	113.1	E248 E249 H250	E248-K252 PolarHBondContact O-N 2.91Å; E249-K252 PolarHBondContact O-N 2.96Å; H250-K252 VanDerWaalsContact C-N 3.33Å
253	F	45	Very low	55.3	Low	179 Å²	179	108.8 Å²	108.8	79%	0.785	51%	0.512	S	S	*	.			trans	-108.5	4.1	-178.9	-68.9	-70.1	0	0	0	113.5	E249 H250	E249-F253 WeakPolarHBondContact O-CD2 3.09Å; E249-F253 PolarHBondContact O-N 3.13Å; H250-F253 PolarHBondContact O-N 2.91Å
254	E	38.8	Very low	53.2	Low	221 Å²	221	114.3 Å²	114.3	100%	1.033	54%	0.536	S	S	*	.			trans	-104.5	0	164.6	-75	-176.8	119.7	0	0	109.9

Retrieved 254 of 254 residues in 693.4 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).