A0A096MSY2_PAPAN Loading...

F-box protein 21

AlphaFold DB , UniProt , Accession A0A096MSY2, Species PAPAN (Papio anubis, Olive baboon), Gene FBXO21, Length 628 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	31	Very low	238 Å²	238	140.6 Å²	140.6	100%	1.172	87%	0.865	S	S	*	*				0	95.7	0	-71.8	-162.8	-99.6	0	0	107
2	A	28.3	Very low	31.9	Very low	96 Å²	96	139.4 Å²	139.4	79%	0.793	86%	0.857	S	S	*	*				71.9	96.2	113.5	0	0	0	0	0	111.4
3	A	27.5	Very low	31.9	Very low	102 Å²	102	138.2 Å²	138.2	84%	0.843	85%	0.849	S	S	*	*				57	109.4	73.8	0	0	0	0	0	113.6
4	A	27.6	Very low	32	Very low	105 Å²	105	135.8 Å²	135.8	87%	0.868	84%	0.836	S	S	*	*				167.8	141.6	126.1	0	0	0	0	0	112.5
5	A	36.3	Very low	32.8	Very low	91 Å²	91	133.7 Å²	133.7	75%	0.752	84%	0.839	S	S	*	*			trans	-77.7	156.6	169.3	0	0	0	0	0	112.2
6	V	29.9	Very low	32.9	Very low	142 Å²	142	136.4 Å²	136.4	86%	0.861	84%	0.844	S	S	*	*			trans	-154.8	95.5	149.7	-173.2	0	0	0	0	105.2
7	D	28.7	Very low	33	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	84%	0.838	S	S	*	*				64.6	119.1	78.8	-128.8	-3.4	0	0	0	115.2
8	N	30.5	Very low	33.9	Very low	166 Å²	166	137.5 Å²	137.5	89%	0.888	84%	0.844	S	S	*	*			trans	-77.7	129.8	-177.6	-94.5	-30.3	0	0	0	110
9	A	29.9	Very low	33.9	Very low	100 Å²	100	140.2 Å²	140.2	83%	0.826	85%	0.846	S	S	*	*			trans	-108	125.3	161.3	0	0	0	0	0	109.7
10	M	38.7	Very low	34.5	Very low	168 Å²	168	138.4 Å²	138.4	83%	0.828	85%	0.847	S	S	*	*			trans	-57.5	133.5	169.9	-75	157.8	57.4	0	0	111.5	V12	M10-V12 HydrophobicContact CE-CG2 4.46Å
11	E	28.6	Very low	34.6	Very low	183 Å²	183	136 Å²	136	86%	0.855	84%	0.841	S	S	*	*			trans	-127.7	112.4	144.7	-98.2	-173.5	166.4	0	0	109.1
12	V	42.5	Very low	34.8	Very low	126 Å²	126	130 Å²	130	76%	0.764	82%	0.82	S	S	*	*			trans	-77	119.2	169	173.5	0	0	0	0	106.9	M10	M10-V12 HydrophobicContact CE-CG2 4.46Å
13	V	32	Very low	35.6	Very low	124 Å²	124	134.9 Å²	134.9	75%	0.752	83%	0.826	S	S	*	*			trans	-120.8	138.9	173.2	177.9	0	0	0	0	108.3
14	P	32.8	Very low	36.4	Very low	104 Å²	104	135.1 Å²	135.1	68%	0.675	82%	0.817	S	S	*	*			trans	-82.6	161.5	-142.5	-2	17.5	0	0	0	114.6	L16	P14-L16 PolarHBondContact O-N 3.36Å
15	A	44	Very low	37.3	Very low	105 Å²	105	134.9 Å²	134.9	87%	0.868	82%	0.815	S	S	*	*			trans	-53.5	109.4	164.7	0	0	0	0	0	110.3
16	L	34.4	Very low	38.1	Very low	176 Å²	176	134.2 Å²	134.2	92%	0.921	82%	0.817	S	S	*	*			trans	-77.3	128.5	167.9	-81.6	164.4	0	0	0	108.7	P14	P14-L16 PolarHBondContact O-N 3.36Å
17	A	35.3	Very low	39.2	Very low	90 Å²	90	134.4 Å²	134.4	74%	0.744	81%	0.812	S	S	*	*			trans	-57	149.1	-175.3	0	0	0	0	0	113	E19	A17-E19 PolarHBondContact O-N 2.99Å
18	E	47.5	Very low	40.8	Very low	203 Å²	203	132.1 Å²	132.1	95%	0.949	81%	0.809	S	S	*	*			trans	-54.5	101.1	165	-77.3	175.8	137.6	0	0	110.4
19	E	35.7	Very low	43.1	Very low	188 Å²	188	127.4 Å²	127.4	88%	0.879	79%	0.788	S	S	*	*			trans	-94	114.8	152.2	-83.4	-168.7	160.6	0	0	108.3	A17 A21	A17-E19 PolarHBondContact O-N 2.99Å; E19-A21 PolarHBondContact O-N 3.01Å
20	A	44.7	Very low	45.6	Very low	104 Å²	104	127 Å²	127	86%	0.86	77%	0.772	S	S	*	*			trans	-60.9	105.5	174.1	0	0	0	0	0	110
21	A	36.4	Very low	47.7	Very low	89 Å²	89	121.1 Å²	121.1	74%	0.736	75%	0.745	S	S	*	*			trans	-74.5	141.1	167.4	0	0	0	0	0	109.9	E19	E19-A21 PolarHBondContact O-N 3.01Å
22	P	40	Very low	50.5	Low	112 Å²	112	117.8 Å²	117.8	73%	0.727	73%	0.733	S	S	*	*			trans	-67.5	145.7	-173.6	28.8	-34.1	0	0	0	111.4	V24	P22-V24 PolarHBondContact O-N 3.26Å
23	E	44.6	Very low	52.7	Low	198 Å²	198	114.2 Å²	114.2	93%	0.925	71%	0.71	S	S	*	*			trans	-54.9	97.7	172.4	-76.8	-177.4	147.2	0	0	110.8	A25	E23-A25 PolarHBondContact O-N 3.38Å
24	V	45	Very low	55.5	Low	107 Å²	107	111.7 Å²	111.7	65%	0.648	70%	0.695	S	S	*	*			trans	-80.3	81.8	163.8	-174.1	0	0	0	0	107.4	P22 G26 L27	P22-V24 PolarHBondContact O-N 3.26Å; V24-G26 PolarHBondContact O-N 2.77Å; V24-G26 VanDerWaalsContact O-N 3.13Å; V24-L27 HydrophobicContact CG1-CD1 4.04Å
25	A	46.1	Very low	58.1	Low	100 Å²	100	107.8 Å²	107.8	83%	0.826	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	111.1	161.1	0	0	0	0	0	108.3	E23	E23-A25 PolarHBondContact O-N 3.38Å
26	G	53.7	Low	60.2	Low	77 Å²	77	109.8 Å²	109.8	79%	0.794	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	128.2	9.5	161.8	0	0	0	0	0	118.9	V24	V24-G26 PolarHBondContact O-N 2.77Å; V24-G26 VanDerWaalsContact O-N 3.13Å
27	L	51.6	Low	62.8	Low	146 Å²	146	104.5 Å²	104.5	76%	0.764	64%	0.641	S	S	*	*			trans	-94.6	106.3	164.4	-82.9	155.3	0	0	0	109.1	V24 C29	V24-L27 HydrophobicContact CG1-CD1 4.04Å; L27-C29 VanDerWaalsContact C-N 3.29Å; L27-C29 PolarHBondContact O-N 3.43Å
28	S	62.6	Low	65.4	Low	109 Å²	109	100.3 Å²	100.3	76%	0.762	61%	0.606	S	S	*	*			trans	-62.8	91.2	172.2	54	0	0	0	0	109.4
29	C	78.4	Confident	67.4	Low	66 Å²	66	93.4 Å²	93.4	45%	0.446	57%	0.574	S	S	.	*			trans	-63.9	137.9	173	-168.9	0	0	0	0	109	L27 V31 N32	L27-C29 VanDerWaalsContact C-N 3.29Å; L27-C29 PolarHBondContact O-N 3.43Å; C29-V31 HydrophobicContact CB-CG2 4.42Å; C29-V31 PolarHBondContact O-N 3.15Å; C29-V31 VanDerWaalsContact O-N 3.13Å; C29-N32 VanDerWaalsContact O-CB 3.31Å; C29-N32 WeakPolarHBondContact O-CB 3.48Å; C29-N32 PolarHBondContact O-N 2.91Å
30	L	83	Confident	69.9	Low	92 Å²	92	93.6 Å²	93.6	48%	0.482	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-50.1	-43.1	-178.1	-178.7	70.3	0	0	0	111.5	N32 L33 L38	L30-N32 PolarHBondContact O-N 3.3Å; L30-N32 VanDerWaalsContact O-N 3.1Å; L30-L33 HydrophobicContact CD1-CD1 4.01Å; L30-L33 WeakPolarHBondContact O-CB 3.38Å; L30-L33 WeakPolarHBondContact O-CG 3.36Å; L30-L33 PolarHBondContact O-N 3.2Å; L30-L38 HydrophobicContact CD1-CD2 3.78Å; L30-L38 HydrophobicContact CG-CD2 3.9Å; L30-L38 WeakPolarHBondContact O-CD2 3.49Å
31	V	82.7	Confident	72.1	Confident	44 Å²	44	91.8 Å²	91.8	27%	0.267	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-68.6	-6.8	180	-61.3	0	0	0	0	114.1	C29 R61 L62	C29-V31 HydrophobicContact CB-CG2 4.42Å; C29-V31 PolarHBondContact O-N 3.15Å; C29-V31 VanDerWaalsContact O-N 3.13Å; V31-R61 WeakPolarHBondContact O-CD 3.45Å; V31-R61 PolarHBondContact O-NE 3.4Å; V31-R61 VanDerWaalsContact O-NE 3.16Å; V31-R61 PolarHBondContact O-NH1 3.29Å; V31-R61 PolarHBondContact O-NH2 3.4Å; V31-L62 HydrophobicContact CG1-CD1 4.1Å; V31-L62 HydrophobicContact CG1-CG 4.28Å
32	N	87.9	Confident	74.6	Confident	114 Å²	114	88 Å²	88	61%	0.61	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-90.2	-10.1	176.3	-64.1	-15.2	0	0	0	112.6	C29 L30	C29-N32 VanDerWaalsContact O-CB 3.31Å; C29-N32 WeakPolarHBondContact O-CB 3.48Å; C29-N32 PolarHBondContact O-N 2.91Å; L30-N32 PolarHBondContact O-N 3.3Å; L30-N32 VanDerWaalsContact O-N 3.1Å
33	L	88.8	Confident	77	Confident	51 Å²	51	83.7 Å²	83.7	27%	0.267	48%	0.482	S	S	.	.	S	Bend	trans	-69.1	147.4	177.3	-65	178.4	0	0	0	111.9	L30 V37 L38 I41 R61	L30-L33 HydrophobicContact CD1-CD1 4.01Å; L30-L33 WeakPolarHBondContact O-CB 3.38Å; L30-L33 WeakPolarHBondContact O-CG 3.36Å; L30-L33 PolarHBondContact O-N 3.2Å; L33-V37 HydrophobicContact CD1-CG1 4.24Å; L33-L38 HydrophobicContact CB-CD1 4.36Å; L33-L38 HydrophobicContact CB-CD2 4.05Å; L33-L38 HydrophobicContact CB-CG 3.87Å; L33-L38 HydrophobicContact CD1-CD2 4.1Å; L33-L38 WeakPolarHBondContact O-CD1 3.43Å; L33-I41 HydrophobicContact CD1-CD1 3.83Å; L33-R61 PolarHBondContact O-NH2 3.15Å
34	P	90.4	Very high	79.1	Confident	70 Å²	70	77.1 Å²	77.1	46%	0.455	46%	0.458	S	S	.	.			trans	-52.9	149.3	173	-24.7	33.9	0	0	0	112.7	E36 V37 L38	P34-E36 VanDerWaalsContact C-N 3.28Å; P34-E36 PolarHBondContact O-N 2.99Å; P34-V37 HydrophobicContact CB-CG2 4.15Å; P34-V37 HydrophobicContact CG-CG2 4.24Å; P34-V37 PolarHBondContact O-N 3.11Å; P34-V37 VanDerWaalsContact O-N 3.13Å; P34-L38 PolarHBondContact O-N 2.79Å
35	G	86.5	Confident	80.7	Confident	23 Å²	23	75.2 Å²	75.2	24%	0.237	46%	0.459	C	S	.	.	H	α-helix	trans	-57.6	-40.6	-176.4	0	0	0	0	0	112.6	V37 L38 E39	G35-V37 VanDerWaalsContact C-N 3.32Å; G35-V37 PolarHBondContact O-N 3.37Å; G35-L38 PolarHBondContact O-N 3.49Å; G35-E39 WeakPolarHBondContact O-CG 3.32Å; G35-E39 PolarHBondContact O-N 3.28Å
36	E	87.9	Confident	82.6	Confident	146 Å²	146	74.9 Å²	74.9	68%	0.682	45%	0.451	S	S	*	.	H	α-helix	trans	-65.1	-36.3	179.8	-55.1	85.4	171	0	0	112.2	P34 Y40	P34-E36 VanDerWaalsContact C-N 3.28Å; P34-E36 PolarHBondContact O-N 2.99Å; E36-Y40 WeakPolarHBondContact O-CB 3.49Å; E36-Y40 PolarHBondContact O-N 3Å
37	V	89.4	Confident	84.3	Confident	66 Å²	66	73.5 Å²	73.5	40%	0.4	43%	0.425	S	S	.	.	H	α-helix	trans	-70.5	-42.6	176.8	178.5	0	0	0	0	109.9	L33 P34 G35 Y40 I41	L33-V37 HydrophobicContact CD1-CG1 4.24Å; P34-V37 HydrophobicContact CB-CG2 4.15Å; P34-V37 HydrophobicContact CG-CG2 4.24Å; P34-V37 PolarHBondContact O-N 3.11Å; P34-V37 VanDerWaalsContact O-N 3.13Å; G35-V37 VanDerWaalsContact C-N 3.32Å; G35-V37 PolarHBondContact O-N 3.37Å; V37-Y40 PolarHBondContact O-N 3.46Å; V37-I41 HydrophobicContact CG1-CD1 4.04Å; V37-I41 VanDerWaalsContact O-CG1 3.28Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-I41 PolarHBondContact O-N 3.23Å
38	L	89.6	Confident	86.2	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-43.7	175.4	-72.3	171.7	0	0	0	111.8	L30 L33 P34 G35 Y40 I41 L42 L62 L65	L30-L38 HydrophobicContact CD1-CD2 3.78Å; L30-L38 HydrophobicContact CG-CD2 3.9Å; L30-L38 WeakPolarHBondContact O-CD2 3.49Å; L33-L38 HydrophobicContact CB-CD1 4.36Å; L33-L38 HydrophobicContact CB-CD2 4.05Å; L33-L38 HydrophobicContact CB-CG 3.87Å; L33-L38 HydrophobicContact CD1-CD2 4.1Å; L33-L38 WeakPolarHBondContact O-CD1 3.43Å; P34-L38 PolarHBondContact O-N 2.79Å; G35-L38 PolarHBondContact O-N 3.49Å; L38-Y40 VanDerWaalsContact C-N 3.31Å; L38-Y40 PolarHBondContact O-N 3.46Å; L38-I41 PolarHBondContact O-N 3.11Å; L38-L42 WeakPolarHBondContact O-CB 3.43Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.43Å; L38-L62 HydrophobicContact CD1-CD2 4.39Å; L38-L65 HydrophobicContact CB-CD1 3.59Å; L38-L65 HydrophobicContact CD1-CD1 3.56Å; L38-L65 HydrophobicContact CG-CD1 4.21Å
39	E	89.3	Confident	87.5	Confident	58 Å²	58	65.6 Å²	65.6	27%	0.271	38%	0.38	S	S	.	.	H	α-helix	trans	-59.3	-42.7	173.6	-77.2	-174.9	-166.5	0	0	111.8	G35 I41 L42 C43 L65	G35-E39 WeakPolarHBondContact O-CG 3.32Å; G35-E39 PolarHBondContact O-N 3.28Å; E39-I41 PolarHBondContact O-N 3.44Å; E39-L42 PolarHBondContact O-N 3.32Å; E39-C43 VanDerWaalsContact O-CB 3.29Å; E39-C43 WeakPolarHBondContact O-CB 3.32Å; E39-C43 PolarHBondContact O-N 2.9Å; E39-C43 PolarHBondContact O-SG 3.06Å; E39-L65 HydrophobicContact CG-CD2 4.1Å
40	Y	89.4	Confident	88.1	Confident	191 Å²	191	65.1 Å²	65.1	75%	0.749	38%	0.381	S	S	*	.	H	α-helix	trans	-61.8	-43	177	-171.9	-95.6	0	0	0	112	E36 V37 L38 C43 C44	E36-Y40 WeakPolarHBondContact O-CB 3.49Å; E36-Y40 PolarHBondContact O-N 3Å; V37-Y40 PolarHBondContact O-N 3.46Å; L38-Y40 VanDerWaalsContact C-N 3.31Å; L38-Y40 PolarHBondContact O-N 3.46Å; Y40-C43 PolarHBondContact O-N 3.45Å; Y40-C44 PolarHBondContact O-N 2.82Å
41	I	90.4	Very high	88.6	Confident	67 Å²	67	63 Å²	63	34%	0.344	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-45	174.3	-67.9	164.4	0	0	0	110.6	L33 V37 L38 E39 C43 C44	L33-I41 HydrophobicContact CD1-CD1 3.83Å; V37-I41 HydrophobicContact CG1-CD1 4.04Å; V37-I41 VanDerWaalsContact O-CG1 3.28Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-I41 PolarHBondContact O-N 3.23Å; L38-I41 PolarHBondContact O-N 3.11Å; E39-I41 PolarHBondContact O-N 3.44Å; I41-C43 VanDerWaalsContact C-N 3.28Å; I41-C43 PolarHBondContact O-N 3.23Å; I41-C44 WeakPolarHBondContact O-CB 3.48Å; I41-C44 PolarHBondContact O-N 3.1Å; I41-C44 VanDerWaalsContact O-N 3.09Å
42	L	89.9	Confident	89.1	Confident	9 Å²	9	61 Å²	61	5%	0.047	36%	0.358	C	S	.	.	H	α-helix	trans	-71.2	-22.9	-179.2	-66.4	171.3	0	0	0	113.4	L38 E39 C44 L47 I52 V55 L65 V72	L38-L42 WeakPolarHBondContact O-CB 3.43Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.43Å; E39-L42 PolarHBondContact O-N 3.32Å; L42-C44 VanDerWaalsContact C-N 3.26Å; L42-L47 HydrophobicContact CD2-CD1 4.27Å; L42-I52 HydrophobicContact CB-CD1 4.29Å; L42-I52 HydrophobicContact CD2-CD1 4.08Å; L42-I52 WeakPolarHBondContact O-CD1 3.34Å; L42-V55 HydrophobicContact CD2-CB 4.42Å; L42-V55 HydrophobicContact CD2-CG1 3.79Å; L42-V55 HydrophobicContact CD2-CG2 4.43Å; L42-L65 HydrophobicContact CD1-CB 4.33Å; L42-V72 HydrophobicContact CB-CG1 4.01Å; L42-V72 HydrophobicContact CB-CG2 3.87Å; L42-V72 HydrophobicContact CD1-CG2 4.36Å
43	C	90.7	Very high	89.2	Confident	21 Å²	21	56.7 Å²	56.7	14%	0.142	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.1	171.7	-70	0	0	0	0	112.9	E39 Y40 I41 G45 E75	E39-C43 VanDerWaalsContact O-CB 3.29Å; E39-C43 WeakPolarHBondContact O-CB 3.32Å; E39-C43 PolarHBondContact O-N 2.9Å; E39-C43 PolarHBondContact O-SG 3.06Å; Y40-C43 PolarHBondContact O-N 3.45Å; I41-C43 VanDerWaalsContact C-N 3.28Å; I41-C43 PolarHBondContact O-N 3.23Å; C43-G45 PolarHBondContact O-N 3.03Å; C43-E75 HydrophobicContact CB-CB 4.34Å; C43-E75 HydrophobicContact CB-CG 3.93Å
44	C	86.9	Confident	89.5	Confident	61 Å²	61	62.7 Å²	62.7	41%	0.412	36%	0.36	S	S	.	.			trans	-66.1	132	179	-168.5	0	0	0	0	110.8	Y40 I41 L42 S46 L47	Y40-C44 PolarHBondContact O-N 2.82Å; I41-C44 WeakPolarHBondContact O-CB 3.48Å; I41-C44 PolarHBondContact O-N 3.1Å; I41-C44 VanDerWaalsContact O-N 3.09Å; L42-C44 VanDerWaalsContact C-N 3.26Å; C44-S46 PolarHBondContact O-N 3.19Å; C44-S46 PolarHBondContact SG-OG 3.03Å; C44-L47 PolarHBondContact O-N 3.04Å
45	G	78.8	Confident	89.5	Confident	66 Å²	66	61.1 Å²	61.1	68%	0.68	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.1	-176.9	0	0	0	0	0	115.4	C43	C43-G45 PolarHBondContact O-N 3.03Å
46	S	86.9	Confident	89.8	Confident	93 Å²	93	61.2 Å²	61.2	65%	0.65	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.4	173.4	59.4	0	0	0	0	113.8	C44	C44-S46 PolarHBondContact O-N 3.19Å; C44-S46 PolarHBondContact SG-OG 3.03Å
47	L	90	Very high	90	Very high	49 Å²	49	58.2 Å²	58.2	26%	0.257	34%	0.341	S	S	.	.	S	Bend	trans	-94.5	126.7	179.6	-63.4	176.9	0	0	0	110.5	L42 C44 D51 I52 Q76	L42-L47 HydrophobicContact CD2-CD1 4.27Å; C44-L47 PolarHBondContact O-N 3.04Å; L47-D51 HydrophobicContact CB-CB 4.42Å; L47-D51 HydrophobicContact CD2-CB 4.23Å; L47-I52 HydrophobicContact CB-CD1 4.05Å; L47-I52 HydrophobicContact CD1-CD1 4.15Å; L47-Q76 PolarHBondContact O-NE2 3.02Å; L47-Q76 PolarHBondContact O-OE1 3.32Å
48	T	90.8	Very high	90.2	Very high	75 Å²	75	59.6 Å²	59.6	46%	0.46	35%	0.35	S	S	.	.			trans	-83.7	162	176.5	71.1	0	0	0	0	111.2	A50 D51 I52	T48-A50 PolarHBondContact O-N 3.08Å; T48-A50 VanDerWaalsContact O-N 3.1Å; T48-A50 PolarHBondContact OG1-N 2.69Å; T48-D51 WeakPolarHBondContact CB-OD2 3.03Å; T48-D51 PolarHBondContact N-OD2 2.84Å; T48-D51 WeakPolarHBondContact O-CA 3.32Å; T48-D51 WeakPolarHBondContact O-CB 3.48Å; T48-D51 PolarHBondContact O-N 3.25Å; T48-D51 VanDerWaalsContact OG1-CG 3.29Å; T48-D51 PolarHBondContact OG1-N 2.98Å; T48-D51 PolarHBondContact OG1-OD2 3.27Å; T48-I52 WeakPolarHBondContact O-CG1 3.37Å; T48-I52 PolarHBondContact O-N 2.98Å
49	A	90	Very high	90.2	Very high	13 Å²	13	61.6 Å²	61.6	11%	0.107	36%	0.364	C	S	.	.	H	α-helix	trans	-54	-30.1	171.4	0	0	0	0	0	113.9	G53 W73 Y100	A49-G53 PolarHBondContact O-N 2.99Å; A49-W73 HydrophobicContact CB-CH2 4.16Å; A49-W73 HydrophobicContact CB-CZ3 3.83Å; A49-Y100 HydrophobicContact CB-CE1 3.7Å; A49-Y100 HydrophobicContact CB-CE2 4.07Å; A49-Y100 WeakPolarHBondContact CB-OH 3.45Å
50	A	91.2	Very high	90.3	Very high	57 Å²	57	68.1 Å²	68.1	47%	0.471	39%	0.385	S	S	.	.	H	α-helix	trans	-68	-40.1	174.3	0	0	0	0	0	111.4	T48 G53 R54	T48-A50 PolarHBondContact O-N 3.08Å; T48-A50 VanDerWaalsContact O-N 3.1Å; T48-A50 PolarHBondContact OG1-N 2.69Å; A50-G53 PolarHBondContact O-N 2.94Å; A50-R54 WeakPolarHBondContact O-CG 3.34Å; A50-R54 PolarHBondContact O-N 3.43Å
51	D	93.4	Very high	90.3	Very high	48 Å²	48	63.8 Å²	63.8	26%	0.257	37%	0.368	S	S	.	.	H	α-helix	trans	-64.7	-44	175.3	-55.4	-50.3	0	0	0	110.8	L47 T48 G53 R54 V55	L47-D51 HydrophobicContact CB-CB 4.42Å; L47-D51 HydrophobicContact CD2-CB 4.23Å; T48-D51 WeakPolarHBondContact CB-OD2 3.03Å; T48-D51 PolarHBondContact N-OD2 2.84Å; T48-D51 WeakPolarHBondContact O-CA 3.32Å; T48-D51 WeakPolarHBondContact O-CB 3.48Å; T48-D51 PolarHBondContact O-N 3.25Å; T48-D51 VanDerWaalsContact OG1-CG 3.29Å; T48-D51 PolarHBondContact OG1-N 2.98Å; T48-D51 PolarHBondContact OG1-OD2 3.27Å; D51-G53 VanDerWaalsContact C-N 3.32Å; D51-G53 PolarHBondContact O-N 2.81Å; D51-R54 PolarHBondContact O-N 3.47Å; D51-V55 WeakPolarHBondContact O-CB 3.49Å; D51-V55 VanDerWaalsContact O-CG2 3.3Å; D51-V55 WeakPolarHBondContact O-CG2 3.37Å; D51-V55 PolarHBondContact O-N 2.89Å
52	I	93	Very high	90.3	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-42.7	174.7	-57.6	-51.4	0	0	0	111.3	L42 L47 T48 R54 V55 S56 C66 V72 W73 Q76	L42-I52 HydrophobicContact CB-CD1 4.29Å; L42-I52 HydrophobicContact CD2-CD1 4.08Å; L42-I52 WeakPolarHBondContact O-CD1 3.34Å; L47-I52 HydrophobicContact CB-CD1 4.05Å; L47-I52 HydrophobicContact CD1-CD1 4.15Å; T48-I52 WeakPolarHBondContact O-CG1 3.37Å; T48-I52 PolarHBondContact O-N 2.98Å; I52-R54 PolarHBondContact O-N 3.02Å; I52-V55 PolarHBondContact O-N 2.9Å; I52-S56 WeakPolarHBondContact O-CB 3.46Å; I52-S56 PolarHBondContact O-N 2.92Å; I52-C66 HydrophobicContact CG2-CB 4.37Å; I52-V72 HydrophobicContact CD1-CG1 4.05Å; I52-V72 HydrophobicContact CG1-CG1 4.22Å; I52-V72 HydrophobicContact CG2-CG1 3.75Å; I52-W73 HydrophobicContact CB-CH2 4.39Å; I52-W73 HydrophobicContact CB-CZ2 4.23Å; I52-W73 HydrophobicContact CG2-CH2 4.27Å; I52-W73 HydrophobicContact CG2-CZ2 3.66Å; I52-Q76 HydrophobicContact CG1-CG 4.09Å
53	G	90.8	Very high	90.3	Very high	25 Å²	25	67.9 Å²	67.9	26%	0.258	38%	0.379	S	S	.	.	H	α-helix	trans	-59.1	-46.3	174.6	0	0	0	0	0	112.3	A49 A50 D51 S56 S57	A49-G53 PolarHBondContact O-N 2.99Å; A50-G53 PolarHBondContact O-N 2.94Å; D51-G53 VanDerWaalsContact C-N 3.32Å; D51-G53 PolarHBondContact O-N 2.81Å; G53-S56 PolarHBondContact O-N 3.4Å; G53-S56 PolarHBondContact O-OG 3.14Å; G53-S57 PolarHBondContact O-N 3.04Å; G53-S57 PolarHBondContact O-OG 3.33Å
54	R	93.8	Very high	90.2	Very high	177 Å²	177	70.9 Å²	70.9	67%	0.668	39%	0.391	S	S	*	.	H	α-helix	trans	-62.9	-45.5	176.3	-69	174.2	-170.4	176.8	3.1	111.4	A50 D51 I52 S56 S57 T58	A50-R54 WeakPolarHBondContact O-CG 3.34Å; A50-R54 PolarHBondContact O-N 3.43Å; D51-R54 PolarHBondContact O-N 3.47Å; I52-R54 PolarHBondContact O-N 3.02Å; R54-S56 VanDerWaalsContact C-N 3.33Å; R54-S56 PolarHBondContact O-N 2.85Å; R54-S57 WeakPolarHBondContact O-CB 3.49Å; R54-S57 PolarHBondContact O-N 3.34Å; R54-T58 WeakPolarHBondContact O-CG2 3.27Å
55	V	91.8	Very high	90.2	Very high	36 Å²	36	69.2 Å²	69.2	22%	0.218	38%	0.378	C	S	.	.	H	α-helix	trans	-59	-43.6	177	170.1	0	0	0	0	111.5	L42 D51 I52 S57 T58 L62	L42-V55 HydrophobicContact CD2-CB 4.42Å; L42-V55 HydrophobicContact CD2-CG1 3.79Å; L42-V55 HydrophobicContact CD2-CG2 4.43Å; D51-V55 WeakPolarHBondContact O-CB 3.49Å; D51-V55 VanDerWaalsContact O-CG2 3.3Å; D51-V55 WeakPolarHBondContact O-CG2 3.37Å; D51-V55 PolarHBondContact O-N 2.89Å; I52-V55 PolarHBondContact O-N 2.9Å; V55-S57 PolarHBondContact O-N 3.49Å; V55-S57 VanDerWaalsContact O-N 3.13Å; V55-T58 PolarHBondContact O-N 3.36Å; V55-T58 PolarHBondContact O-OG1 3.43Å; V55-L62 HydrophobicContact CG1-CB 4.04Å; V55-L62 HydrophobicContact CG1-CD1 4.14Å; V55-L62 HydrophobicContact CG1-CD2 4.44Å; V55-L62 HydrophobicContact CG1-CG 4.42Å
56	S	91.3	Very high	90.7	Very high	25 Å²	25	66.4 Å²	66.4	18%	0.175	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-17.7	177.5	76.9	0	0	0	0	113.7	I52 G53 R54 R63	I52-S56 WeakPolarHBondContact O-CB 3.46Å; I52-S56 PolarHBondContact O-N 2.92Å; G53-S56 PolarHBondContact O-N 3.4Å; G53-S56 PolarHBondContact O-OG 3.14Å; R54-S56 VanDerWaalsContact C-N 3.33Å; R54-S56 PolarHBondContact O-N 2.85Å; S56-R63 VanDerWaalsContact O-CB 3.27Å; S56-R63 WeakPolarHBondContact O-CB 3.19Å; S56-R63 WeakPolarHBondContact O-CG 3.32Å; S56-R63 PolarHBondContact O-NE 3.25Å
57	S	92.2	Very high	90.6	Very high	84 Å²	84	67.2 Å²	67.2	59%	0.587	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.3	-178.6	-55.9	0	0	0	0	113.2	G53 R54 V55	G53-S57 PolarHBondContact O-N 3.04Å; G53-S57 PolarHBondContact O-OG 3.33Å; R54-S57 WeakPolarHBondContact O-CB 3.49Å; R54-S57 PolarHBondContact O-N 3.34Å; V55-S57 PolarHBondContact O-N 3.49Å; V55-S57 VanDerWaalsContact O-N 3.13Å
58	T	93.2	Very high	90	Very high	95 Å²	95	66.9 Å²	66.9	58%	0.583	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-45.8	-172.1	62.4	0	0	0	0	113.5	R54 V55 L62	R54-T58 WeakPolarHBondContact O-CG2 3.27Å; V55-T58 PolarHBondContact O-N 3.36Å; V55-T58 PolarHBondContact O-OG1 3.43Å; T58-L62 WeakPolarHBondContact OG1-CD1 3.35Å
59	C	91.3	Very high	89.3	Confident	44 Å²	44	65.3 Å²	65.3	30%	0.297	34%	0.335	S	S	.	.			trans	-154.8	165.3	-179.9	78.1	0	0	0	0	112.6	R61 L62 R63	C59-R61 PolarHBondContact O-N 3.19Å; C59-L62 PolarHBondContact O-N 3.4Å; C59-R63 WeakPolarHBondContact O-CB 3.36Å; C59-R63 PolarHBondContact O-N 3.14Å
60	R	90.2	Very high	88.9	Confident	194 Å²	194	65.6 Å²	65.6	73%	0.732	34%	0.339	S	S	*	.	H	α-helix	trans	-57.4	-45.7	-178	-177.4	177.2	173	173.1	1.5	112.9	L62 R63 E64	R60-L62 PolarHBondContact O-N 3.39Å; R60-R63 WeakPolarHBondContact O-CB 3.44Å; R60-R63 PolarHBondContact O-N 2.97Å; R60-E64 HydrophobicContact CG-CG 4.43Å; R60-E64 WeakPolarHBondContact CG-OE1 3.38Å; R60-E64 IonicContact CZ-OE1 3.71Å; R60-E64 IonicContact NE-OE1 3.16Å; R60-E64 PolarHBondContact NE-OE1 2.88Å; R60-E64 IonicContact NH2-OE1 2.65Å; R60-E64 PolarHBondContact NH2-OE1 3.48Å; R60-E64 WeakPolarHBondContact O-CB 3.44Å; R60-E64 WeakPolarHBondContact O-CG 3.37Å; R60-E64 PolarHBondContact O-N 3.4Å
61	R	90.4	Very high	88.7	Confident	101 Å²	101	69.1 Å²	69.1	38%	0.381	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-45.3	-178.6	-177.8	176.5	176.5	153	0.7	112.2	V31 L33 C59 R63 E64 L65	V31-R61 WeakPolarHBondContact O-CD 3.45Å; V31-R61 PolarHBondContact O-NE 3.4Å; V31-R61 VanDerWaalsContact O-NE 3.16Å; V31-R61 PolarHBondContact O-NH1 3.29Å; V31-R61 PolarHBondContact O-NH2 3.4Å; L33-R61 PolarHBondContact O-NH2 3.15Å; C59-R61 PolarHBondContact O-N 3.19Å; R61-R63 VanDerWaalsContact C-N 3.35Å; R61-E64 PolarHBondContact O-N 3.2Å; R61-L65 WeakPolarHBondContact O-CG 3.46Å; R61-L65 PolarHBondContact O-N 2.83Å
62	L	89.9	Confident	88.6	Confident	9 Å²	9	66.9 Å²	66.9	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-71.8	-32.2	179	-65.6	174.7	0	0	0	111.6	V31 L38 V55 T58 C59 R60 L65 C66	V31-L62 HydrophobicContact CG1-CD1 4.1Å; V31-L62 HydrophobicContact CG1-CG 4.28Å; L38-L62 HydrophobicContact CD1-CD2 4.39Å; V55-L62 HydrophobicContact CG1-CB 4.04Å; V55-L62 HydrophobicContact CG1-CD1 4.14Å; V55-L62 HydrophobicContact CG1-CD2 4.44Å; V55-L62 HydrophobicContact CG1-CG 4.42Å; T58-L62 WeakPolarHBondContact OG1-CD1 3.35Å; C59-L62 PolarHBondContact O-N 3.4Å; R60-L62 PolarHBondContact O-N 3.39Å; L62-L65 HydrophobicContact CD2-CD1 4.23Å; L62-L65 PolarHBondContact O-N 3.06Å; L62-C66 WeakPolarHBondContact O-CB 3.28Å; L62-C66 PolarHBondContact O-N 2.75Å; L62-C66 PolarHBondContact O-SG 3.4Å; L62-C66 VanDerWaalsContact O-SG 3.4Å
63	R	90	Very high	88.6	Confident	152 Å²	152	67.6 Å²	67.6	57%	0.574	33%	0.334	S	S	*	.	H	α-helix	trans	-61.5	-43.6	169.3	-167.5	-178.9	-62	175.2	1.4	112.3	S56 C59 R60 R61 L65 C66 Q67	S56-R63 VanDerWaalsContact O-CB 3.27Å; S56-R63 WeakPolarHBondContact O-CB 3.19Å; S56-R63 WeakPolarHBondContact O-CG 3.32Å; S56-R63 PolarHBondContact O-NE 3.25Å; C59-R63 WeakPolarHBondContact O-CB 3.36Å; C59-R63 PolarHBondContact O-N 3.14Å; R60-R63 WeakPolarHBondContact O-CB 3.44Å; R60-R63 PolarHBondContact O-N 2.97Å; R61-R63 VanDerWaalsContact C-N 3.35Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-C66 CarbonylContact O-C 3.53Å; R63-C66 PolarHBondContact O-N 3.05Å; R63-Q67 PolarHBondContact O-N 3.35Å
64	E	88.7	Confident	88.6	Confident	85 Å²	85	70.2 Å²	70.2	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-66.4	-33.5	178.3	-75.3	169.6	-178.8	0	0	112.1	R60 R61 Q67	R60-E64 HydrophobicContact CG-CG 4.43Å; R60-E64 WeakPolarHBondContact CG-OE1 3.38Å; R60-E64 IonicContact CZ-OE1 3.71Å; R60-E64 IonicContact NE-OE1 3.16Å; R60-E64 PolarHBondContact NE-OE1 2.88Å; R60-E64 IonicContact NH2-OE1 2.65Å; R60-E64 PolarHBondContact NH2-OE1 3.48Å; R60-E64 WeakPolarHBondContact O-CB 3.44Å; R60-E64 WeakPolarHBondContact O-CG 3.37Å; R60-E64 PolarHBondContact O-N 3.4Å; R61-E64 PolarHBondContact O-N 3.2Å; E64-Q67 WeakPolarHBondContact O-CB 3.49Å; E64-Q67 VanDerWaalsContact O-CD 3.25Å; E64-Q67 WeakPolarHBondContact O-CG 3.49Å; E64-Q67 PolarHBondContact O-N 2.94Å; E64-Q67 PolarHBondContact O-NE2 2.83Å
65	L	87.5	Confident	88.5	Confident	25 Å²	25	64 Å²	64	13%	0.131	32%	0.317	C	S	.	.	H	α-helix	trans	-73.2	-33.4	173.1	-67.9	169.6	0	0	0	112.5	L38 E39 L42 R61 L62 R63 Q67	L38-L65 HydrophobicContact CB-CD1 3.59Å; L38-L65 HydrophobicContact CD1-CD1 3.56Å; L38-L65 HydrophobicContact CG-CD1 4.21Å; E39-L65 HydrophobicContact CG-CD2 4.1Å; L42-L65 HydrophobicContact CD1-CB 4.33Å; R61-L65 WeakPolarHBondContact O-CG 3.46Å; R61-L65 PolarHBondContact O-N 2.83Å; L62-L65 HydrophobicContact CD2-CD1 4.23Å; L62-L65 PolarHBondContact O-N 3.06Å; R63-L65 VanDerWaalsContact C-N 3.34Å; L65-Q67 PolarHBondContact O-N 3.47Å
66	C	88.4	Confident	88.5	Confident	7 Å²	7	63.1 Å²	63.1	5%	0.047	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	27.5	173.9	-64.3	0	0	0	0	113.1	I52 L62 R63 W73	I52-C66 HydrophobicContact CG2-CB 4.37Å; L62-C66 WeakPolarHBondContact O-CB 3.28Å; L62-C66 PolarHBondContact O-N 2.75Å; L62-C66 PolarHBondContact O-SG 3.4Å; L62-C66 VanDerWaalsContact O-SG 3.4Å; R63-C66 CarbonylContact O-C 3.53Å; R63-C66 PolarHBondContact O-N 3.05Å; C66-W73 PolarHBondContact O-NE1 3.08Å
67	Q	84.3	Confident	88.6	Confident	111 Å²	111	61.9 Å²	61.9	52%	0.519	30%	0.302	S	S	.	.			trans	-53	148.8	177.7	-94.9	172.5	58.3	0	0	112.3	R63 E64 L65 S69 G70	R63-Q67 PolarHBondContact O-N 3.35Å; E64-Q67 WeakPolarHBondContact O-CB 3.49Å; E64-Q67 VanDerWaalsContact O-CD 3.25Å; E64-Q67 WeakPolarHBondContact O-CG 3.49Å; E64-Q67 PolarHBondContact O-N 2.94Å; E64-Q67 PolarHBondContact O-NE2 2.83Å; L65-Q67 PolarHBondContact O-N 3.47Å; Q67-S69 VanDerWaalsContact C-N 3.34Å; Q67-S69 PolarHBondContact O-N 3.28Å; Q67-G70 WeakPolarHBondContact O-CA 3.49Å; Q67-G70 PolarHBondContact O-N 3.37Å
68	S	78.9	Confident	88.6	Confident	42 Å²	42	63.1 Å²	63.1	29%	0.294	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-32.4	-169	64.8	0	0	0	0	113.9	N95 W96 L97	S68-N95 WeakPolarHBondContact CB-OD1 3.42Å; S68-N95 CarbonylContact O-C 3.36Å; S68-N95 PolarHBondContact O-OD1 3.41Å; S68-N95 PolarHBondContact OG-ND2 3.38Å; S68-W96 PolarHBondContact O-N 3Å; S68-L97 PolarHBondContact O-N 3.38Å
69	S	75.9	Confident	88.5	Confident	42 Å²	42	62.3 Å²	62.3	29%	0.294	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	3.3	171.9	52.8	0	0	0	0	113.7	Q67	Q67-S69 VanDerWaalsContact C-N 3.34Å; Q67-S69 PolarHBondContact O-N 3.28Å
70	G	80.4	Confident	88.5	Confident	19 Å²	19	66.4 Å²	66.4	20%	0.196	30%	0.298	C	S	.	.	S	Bend	trans	-75.6	166.1	-172.2	0	0	0	0	0	114.7	Q67 V72 W73 K74	Q67-G70 WeakPolarHBondContact O-CA 3.49Å; Q67-G70 PolarHBondContact O-N 3.37Å; G70-V72 VanDerWaalsContact C-N 3.26Å; G70-V72 PolarHBondContact O-N 3.41Å; G70-W73 PolarHBondContact O-N 2.85Å; G70-K74 PolarHBondContact O-N 3.17Å
71	K	86.9	Confident	88.6	Confident	131 Å²	131	57.7 Å²	57.7	57%	0.57	27%	0.265	S	S	*	.	H	α-helix	trans	-59.8	-33	-178.2	-171.3	177.6	177.3	-176.2	0	113.5	K74 E75	K71-K74 PolarHBondContact O-N 2.79Å; K71-E75 WeakPolarHBondContact O-CB 3.41Å; K71-E75 PolarHBondContact O-N 2.87Å
72	V	91.3	Very high	88.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-50.9	-178.5	-179.3	0	0	0	0	111.5	L42 I52 G70 E75 Q76	L42-V72 HydrophobicContact CB-CG1 4.01Å; L42-V72 HydrophobicContact CB-CG2 3.87Å; L42-V72 HydrophobicContact CD1-CG2 4.36Å; I52-V72 HydrophobicContact CD1-CG1 4.05Å; I52-V72 HydrophobicContact CG1-CG1 4.22Å; I52-V72 HydrophobicContact CG2-CG1 3.75Å; G70-V72 VanDerWaalsContact C-N 3.26Å; G70-V72 PolarHBondContact O-N 3.41Å; V72-E75 PolarHBondContact O-N 3.28Å; V72-Q76 WeakPolarHBondContact O-CG 3.5Å; V72-Q76 PolarHBondContact O-N 2.93Å
73	W	92.9	Very high	88.7	Confident	15 Å²	15	59.1 Å²	59.1	6%	0.057	29%	0.29	C	S	.	.	H	α-helix	trans	-71.1	-33.6	-179.8	-75.7	107.7	0	0	0	112.7	A49 I52 C66 G70 E75 Q76 F77 W96 L97 Y100	A49-W73 HydrophobicContact CB-CH2 4.16Å; A49-W73 HydrophobicContact CB-CZ3 3.83Å; I52-W73 HydrophobicContact CB-CH2 4.39Å; I52-W73 HydrophobicContact CB-CZ2 4.23Å; I52-W73 HydrophobicContact CG2-CH2 4.27Å; I52-W73 HydrophobicContact CG2-CZ2 3.66Å; C66-W73 PolarHBondContact O-NE1 3.08Å; G70-W73 PolarHBondContact O-N 2.85Å; W73-E75 VanDerWaalsContact C-N 3.3Å; W73-E75 PolarHBondContact O-N 3.36Å; W73-Q76 HydrophobicContact CE3-CB 4.34Å; W73-Q76 PolarHBondContact O-N 3.42Å; W73-F77 WeakPolarHBondContact O-CB 3.42Å; W73-F77 PolarHBondContact O-N 2.9Å; W73-W96 HydrophobicContact CB-CB 3.66Å; W73-L97 HydrophobicContact CB-CB 4.48Å; W73-L97 HydrophobicContact CD2-CB 4.12Å; W73-L97 HydrophobicContact CD2-CD1 3.8Å; W73-L97 HydrophobicContact CE3-CD1 4.01Å; W73-L97 HydrophobicContact CG-CB 3.93Å; W73-L97 HydrophobicContact CG-CD1 4.49Å; W73-L97 HydrophobicContact CH2-CD1 3.81Å; W73-L97 HydrophobicContact CZ2-CD1 3.58Å; W73-L97 HydrophobicContact CZ3-CD1 4.01Å; W73-Y100 HydrophobicContact CE3-CD2 4.29Å; W73-Y100 HydrophobicContact CE3-CG 4.1Å; W73-Y100 HydrophobicContact CZ3-CD1 4.02Å; W73-Y100 HydrophobicContact CZ3-CD2 4.36Å; W73-Y100 HydrophobicContact CZ3-CE1 4.35Å; W73-Y100 HydrophobicContact CZ3-CG 4.06Å
74	K	91.8	Very high	88.9	Confident	80 Å²	80	52.1 Å²	52.1	35%	0.348	26%	0.263	S	S	.	.	H	α-helix	trans	-58.5	-44.3	170.7	-175.5	172.1	-175.5	171.9	0	111.3	G70 K71 F77 R78 W96	G70-K74 PolarHBondContact O-N 3.17Å; K71-K74 PolarHBondContact O-N 2.79Å; K74-F77 PolarHBondContact O-N 3.13Å; K74-R78 VanDerWaalsContact O-CB 3.3Å; K74-R78 WeakPolarHBondContact O-CB 3.15Å; K74-R78 PolarHBondContact O-N 3.21Å; K74-W96 HydrophobicContact CB-CB 4.38Å; K74-W96 HydrophobicContact CB-CD2 3.7Å; K74-W96 HydrophobicContact CB-CE3 4.38Å; K74-W96 HydrophobicContact CB-CG 3.65Å; K74-W96 HydrophobicContact CD-CD2 4.43Å; K74-W96 HydrophobicContact CD-CZ2 3.77Å; K74-W96 HydrophobicContact CG-CD2 3.79Å; K74-W96 HydrophobicContact CG-CE3 4.26Å; K74-W96 HydrophobicContact CG-CG 4.27Å; K74-W96 HydrophobicContact CG-CH2 4.24Å; K74-W96 HydrophobicContact CG-CZ2 3.77Å; K74-W96 HydrophobicContact CG-CZ3 4.46Å
75	E	91.3	Very high	89	Confident	46 Å²	46	50.1 Å²	50.1	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-68.6	-43.4	179.2	-173.2	64.6	-174.5	0	0	112	C43 K71 V72 W73 F77 R78 V79	C43-E75 HydrophobicContact CB-CB 4.34Å; C43-E75 HydrophobicContact CB-CG 3.93Å; K71-E75 WeakPolarHBondContact O-CB 3.41Å; K71-E75 PolarHBondContact O-N 2.87Å; V72-E75 PolarHBondContact O-N 3.28Å; W73-E75 VanDerWaalsContact C-N 3.3Å; W73-E75 PolarHBondContact O-N 3.36Å; E75-F77 VanDerWaalsContact C-N 3.29Å; E75-F77 PolarHBondContact O-N 3.43Å; E75-R78 PolarHBondContact O-N 3.24Å; E75-R78 IonicContact OE1-CZ 2.69Å; E75-R78 IonicContact OE1-NE 3.37Å; E75-R78 PolarHBondContact OE1-NE 3.37Å; E75-R78 IonicContact OE1-NH2 2.73Å; E75-R78 PolarHBondContact OE1-NH2 2.92Å; E75-R78 IonicContact OE2-CZ 3.85Å; E75-R78 IonicContact OE2-NE 3.64Å; E75-R78 PolarHBondContact OE2-NE 3.18Å; E75-R78 IonicContact OE2-NH2 3.3Å; E75-V79 HydrophobicContact CG-CG2 4.3Å; E75-V79 WeakPolarHBondContact O-CB 3.4Å; E75-V79 VanDerWaalsContact O-CG2 3.32Å; E75-V79 WeakPolarHBondContact O-CG2 3.45Å; E75-V79 PolarHBondContact O-N 3Å
76	Q	92.4	Very high	89.1	Confident	18 Å²	18	56.9 Å²	56.9	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-42.4	173.9	-71.4	-69.7	-35.1	0	0	111.8	L47 I52 V72 W73 R80 Y100	L47-Q76 PolarHBondContact O-NE2 3.02Å; L47-Q76 PolarHBondContact O-OE1 3.32Å; I52-Q76 HydrophobicContact CG1-CG 4.09Å; V72-Q76 WeakPolarHBondContact O-CG 3.5Å; V72-Q76 PolarHBondContact O-N 2.93Å; W73-Q76 HydrophobicContact CE3-CB 4.34Å; W73-Q76 PolarHBondContact O-N 3.42Å; Q76-R80 VanDerWaalsContact O-CB 3.32Å; Q76-R80 WeakPolarHBondContact O-CB 3.39Å; Q76-R80 PolarHBondContact O-N 3.13Å; Q76-Y100 HydrophobicContact CB-CD2 4.42Å; Q76-Y100 HydrophobicContact CB-CE2 4.27Å
77	F	92.8	Very high	89.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-48.3	174.7	-169.8	-83.3	0	0	0	111.6	W73 K74 E75 V79 R80 W81 L84 M85 Y88 W96 E99 Y100 R103 F143	W73-F77 WeakPolarHBondContact O-CB 3.42Å; W73-F77 PolarHBondContact O-N 2.9Å; K74-F77 PolarHBondContact O-N 3.13Å; E75-F77 VanDerWaalsContact C-N 3.29Å; E75-F77 PolarHBondContact O-N 3.43Å; F77-V79 PolarHBondContact O-N 3.12Å; F77-R80 PolarHBondContact O-N 3.47Å; F77-W81 AromaticContact CD2-CE3 3.62Å; F77-W81 HydrophobicContact CD2-CE3 3.62Å; F77-W81 AromaticContact CD2-CZ3 3.8Å; F77-W81 HydrophobicContact CD2-CZ3 3.8Å; F77-W81 AromaticContact CE2-CE3 3.73Å; F77-W81 HydrophobicContact CE2-CE3 3.73Å; F77-W81 HydrophobicContact CE2-CZ3 4.04Å; F77-W81 HydrophobicContact CG-CE3 4.09Å; F77-W81 HydrophobicContact CZ-CE3 4.3Å; F77-W81 PolarHBondContact O-N 3.28Å; F77-L84 HydrophobicContact CE1-CB 3.84Å; F77-L84 HydrophobicContact CE1-CD1 4.34Å; F77-L84 HydrophobicContact CZ-CB 4.11Å; F77-L84 HydrophobicContact CZ-CD1 3.85Å; F77-M85 HydrophobicContact CD1-SD 3.8Å; F77-M85 HydrophobicContact CE1-SD 4.26Å; F77-Y88 AromaticContact CE1-CE2 3.95Å; F77-Y88 HydrophobicContact CE1-CE2 3.95Å; F77-Y88 HydrophobicContact CZ-CE2 4.23Å; F77-W96 HydrophobicContact CB-CE3 4.1Å; F77-W96 HydrophobicContact CD1-CE3 4.23Å; F77-W96 AromaticContact CD1-CZ3 3.86Å; F77-W96 HydrophobicContact CD1-CZ3 3.86Å; F77-W96 HydrophobicContact CE1-CZ3 4.29Å; F77-W96 HydrophobicContact CG-CE3 4.09Å; F77-W96 HydrophobicContact CG-CZ3 4.2Å; F77-E99 HydrophobicContact CE2-CB 4.4Å; F77-E99 HydrophobicContact CE2-CG 3.92Å; F77-E99 HydrophobicContact CZ-CG 4.25Å; F77-Y100 HydrophobicContact CB-CD2 4.35Å; F77-Y100 HydrophobicContact CD2-CD2 4.39Å; F77-R103 HydrophobicContact CE2-CB 4Å; F77-R103 HydrophobicContact CE2-CG 4.32Å; F77-F143 HydrophobicContact CZ-CE1 4.29Å; F77-F143 HydrophobicContact CZ-CZ 4.46Å
78	R	92.5	Very high	89.4	Confident	110 Å²	110	57.8 Å²	57.8	42%	0.415	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-44.4	-179.6	-173	-166.4	74.2	74	-2.5	112.8	K74 E75 P82 M85	K74-R78 VanDerWaalsContact O-CB 3.3Å; K74-R78 WeakPolarHBondContact O-CB 3.15Å; K74-R78 PolarHBondContact O-N 3.21Å; E75-R78 PolarHBondContact O-N 3.24Å; E75-R78 IonicContact OE1-CZ 2.69Å; E75-R78 IonicContact OE1-NE 3.37Å; E75-R78 PolarHBondContact OE1-NE 3.37Å; E75-R78 IonicContact OE1-NH2 2.73Å; E75-R78 PolarHBondContact OE1-NH2 2.92Å; E75-R78 IonicContact OE2-CZ 3.85Å; E75-R78 IonicContact OE2-NE 3.64Å; E75-R78 PolarHBondContact OE2-NE 3.18Å; E75-R78 IonicContact OE2-NH2 3.3Å; R78-P82 VanDerWaalsContact O-CA 3.3Å; R78-P82 WeakPolarHBondContact O-CA 3.35Å; R78-P82 WeakPolarHBondContact O-CB 3.48Å; R78-P82 WeakPolarHBondContact O-CD 3.46Å; R78-M85 HydrophobicContact CB-CE 4.39Å; R78-M85 HydrophobicContact CB-CG 4.23Å; R78-M85 HydrophobicContact CB-SD 3.9Å; R78-M85 HydrophobicContact CG-CE 4.38Å; R78-M85 HydrophobicContact CG-CG 3.91Å; R78-M85 HydrophobicContact CG-SD 4.14Å
79	V	90.8	Very high	89.6	Confident	77 Å²	77	58.2 Å²	58.2	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-67.3	-39.9	-179.6	170	0	0	0	0	110.6	E75 F77	E75-V79 HydrophobicContact CG-CG2 4.3Å; E75-V79 WeakPolarHBondContact O-CB 3.4Å; E75-V79 VanDerWaalsContact O-CG2 3.32Å; E75-V79 WeakPolarHBondContact O-CG2 3.45Å; E75-V79 PolarHBondContact O-N 3Å; F77-V79 PolarHBondContact O-N 3.12Å
80	R	90.8	Very high	89.7	Confident	130 Å²	130	62 Å²	62	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-79.6	-39	-177	-168.4	171.1	-179.2	142.8	3.2	113.4	Q76 F77 Y100 Q104	Q76-R80 VanDerWaalsContact O-CB 3.32Å; Q76-R80 WeakPolarHBondContact O-CB 3.39Å; Q76-R80 PolarHBondContact O-N 3.13Å; F77-R80 PolarHBondContact O-N 3.47Å; R80-Y100 WeakPolarHBondContact CD-OH 3.46Å; R80-Y100 PolarHBondContact NH1-OH 2.7Å; R80-Q104 VanDerWaalsContact NH2-OE1 3.16Å
81	W	93.5	Very high	89.6	Confident	11 Å²	11	66.9 Å²	66.9	4%	0.042	34%	0.338	C	S	.	.			trans	-133.4	66.5	-175.9	-56.1	-67.8	0	0	0	111.8	F77 S83 L84 Y100 R103 Q104	F77-W81 AromaticContact CD2-CE3 3.62Å; F77-W81 HydrophobicContact CD2-CE3 3.62Å; F77-W81 AromaticContact CD2-CZ3 3.8Å; F77-W81 HydrophobicContact CD2-CZ3 3.8Å; F77-W81 AromaticContact CE2-CE3 3.73Å; F77-W81 HydrophobicContact CE2-CE3 3.73Å; F77-W81 HydrophobicContact CE2-CZ3 4.04Å; F77-W81 HydrophobicContact CG-CE3 4.09Å; F77-W81 HydrophobicContact CZ-CE3 4.3Å; F77-W81 PolarHBondContact O-N 3.28Å; W81-S83 PolarHBondContact O-N 2.79Å; W81-L84 HydrophobicContact CB-CB 4.4Å; W81-L84 HydrophobicContact CB-CD1 3.79Å; W81-L84 HydrophobicContact CB-CG 4.2Å; W81-L84 HydrophobicContact CG-CD1 4.2Å; W81-L84 PolarHBondContact O-N 2.95Å; W81-Y100 HydrophobicContact CE3-CD2 4.42Å; W81-Y100 HydrophobicContact CE3-CE2 4.48Å; W81-Y100 HydrophobicContact CH2-CD1 4.45Å; W81-Y100 HydrophobicContact CH2-CD2 4.15Å; W81-Y100 HydrophobicContact CH2-CE1 4.23Å; W81-Y100 AromaticContact CH2-CE2 3.93Å; W81-Y100 HydrophobicContact CH2-CE2 3.93Å; W81-Y100 HydrophobicContact CH2-CG 4.38Å; W81-Y100 AromaticContact CH2-CZ 3.95Å; W81-Y100 HydrophobicContact CZ3-CD1 4.46Å; W81-Y100 AromaticContact CZ3-CD2 3.5Å; W81-Y100 HydrophobicContact CZ3-CD2 3.5Å; W81-Y100 AromaticContact CZ3-CE2 3.59Å; W81-Y100 HydrophobicContact CZ3-CE2 3.59Å; W81-Y100 AromaticContact CZ3-CG 3.94Å; W81-Y100 HydrophobicContact CZ3-CG 3.94Å; W81-R103 HydrophobicContact CD2-CG 3.65Å; W81-R103 HydrophobicContact CE3-CB 4.37Å; W81-R103 HydrophobicContact CE3-CG 3.7Å; W81-R103 HydrophobicContact CG-CG 4.33Å; W81-R103 HydrophobicContact CH2-CB 4.17Å; W81-R103 HydrophobicContact CH2-CG 3.76Å; W81-R103 HydrophobicContact CZ2-CG 3.71Å; W81-R103 HydrophobicContact CZ3-CB 4.06Å; W81-R103 HydrophobicContact CZ3-CG 3.74Å; W81-Q104 HydrophobicContact CH2-CB 4.2Å
82	P	92.4	Very high	89.4	Confident	85 Å²	85	64.7 Å²	64.7	55%	0.552	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-62.6	-30.6	-176.4	24.5	-34.3	0	0	0	113.1	R78 L84 M85	R78-P82 VanDerWaalsContact O-CA 3.3Å; R78-P82 WeakPolarHBondContact O-CA 3.35Å; R78-P82 WeakPolarHBondContact O-CB 3.48Å; R78-P82 WeakPolarHBondContact O-CD 3.46Å; P82-L84 PolarHBondContact O-N 3.3Å; P82-M85 WeakPolarHBondContact O-CB 3.46Å; P82-M85 PolarHBondContact O-N 3.5Å
83	S	90.1	Very high	89.1	Confident	56 Å²	56	73.7 Å²	73.7	39%	0.392	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-57	-34	176.1	43.8	0	0	0	0	113.3	W81 M85 K86 D146	W81-S83 PolarHBondContact O-N 2.79Å; S83-M85 VanDerWaalsContact C-N 3.35Å; S83-K86 WeakPolarHBondContact O-CD 3.38Å; S83-K86 WeakPolarHBondContact O-CE 3.49Å; S83-K86 WeakPolarHBondContact O-CG 3.41Å; S83-D146 PolarHBondContact OG-OD2 3.41Å
84	L	92.5	Very high	88.9	Confident	4 Å²	4	73.9 Å²	73.9	2%	0.021	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-79.5	-19.5	-175.8	-68.1	177.3	0	0	0	112.7	F77 W81 P82 K86 H87 Y88 R103 I142 F143 D146	F77-L84 HydrophobicContact CE1-CB 3.84Å; F77-L84 HydrophobicContact CE1-CD1 4.34Å; F77-L84 HydrophobicContact CZ-CB 4.11Å; F77-L84 HydrophobicContact CZ-CD1 3.85Å; W81-L84 HydrophobicContact CB-CB 4.4Å; W81-L84 HydrophobicContact CB-CD1 3.79Å; W81-L84 HydrophobicContact CB-CG 4.2Å; W81-L84 HydrophobicContact CG-CD1 4.2Å; W81-L84 PolarHBondContact O-N 2.95Å; P82-L84 PolarHBondContact O-N 3.3Å; L84-K86 PolarHBondContact O-N 3.07Å; L84-K86 VanDerWaalsContact O-N 3.11Å; L84-H87 WeakPolarHBondContact O-CB 3.48Å; L84-H87 PolarHBondContact O-N 2.79Å; L84-Y88 WeakPolarHBondContact O-CD2 3.4Å; L84-Y88 WeakPolarHBondContact O-CE2 3.3Å; L84-R103 HydrophobicContact CD1-CG 4.06Å; L84-I142 HydrophobicContact CD2-CD1 4.45Å; L84-F143 HydrophobicContact CD1-CD1 3.71Å; L84-F143 HydrophobicContact CD1-CE1 3.84Å; L84-F143 HydrophobicContact CD2-CD1 4.19Å; L84-F143 HydrophobicContact CD2-CE1 4.47Å; L84-D146 HydrophobicContact CD1-CB 4.41Å; L84-D146 HydrophobicContact CD2-CB 3.94Å; L84-D146 HydrophobicContact CG-CB 4.32Å
85	M	91.9	Very high	89	Confident	43 Å²	43	72.5 Å²	72.5	21%	0.212	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-61.3	-25.7	-176.4	-65.7	-61.5	-54.3	0	0	113.5	F77 R78 P82 S83 H87 Y88 W96	F77-M85 HydrophobicContact CD1-SD 3.8Å; F77-M85 HydrophobicContact CE1-SD 4.26Å; R78-M85 HydrophobicContact CB-CE 4.39Å; R78-M85 HydrophobicContact CB-CG 4.23Å; R78-M85 HydrophobicContact CB-SD 3.9Å; R78-M85 HydrophobicContact CG-CE 4.38Å; R78-M85 HydrophobicContact CG-CG 3.91Å; R78-M85 HydrophobicContact CG-SD 4.14Å; P82-M85 WeakPolarHBondContact O-CB 3.46Å; P82-M85 PolarHBondContact O-N 3.5Å; S83-M85 VanDerWaalsContact C-N 3.35Å; M85-H87 PolarHBondContact O-N 3.28Å; M85-Y88 PolarHBondContact O-N 3.06Å; M85-W96 HydrophobicContact CE-CH2 4.01Å; M85-W96 HydrophobicContact CE-CZ3 4.43Å; M85-W96 HydrophobicContact SD-CH2 4.37Å; M85-W96 HydrophobicContact SD-CZ3 4.25Å
86	K	89.6	Confident	89	Confident	168 Å²	168	70.9 Å²	70.9	73%	0.73	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-63.9	-16.6	176.6	72.2	-171.1	177.3	175.6	0	113.8	S83 L84	S83-K86 WeakPolarHBondContact O-CD 3.38Å; S83-K86 WeakPolarHBondContact O-CE 3.49Å; S83-K86 WeakPolarHBondContact O-CG 3.41Å; L84-K86 PolarHBondContact O-N 3.07Å; L84-K86 VanDerWaalsContact O-N 3.11Å
87	H	88.3	Confident	89	Confident	98 Å²	98	71.7 Å²	71.7	45%	0.454	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-90.2	-4	-179.3	-64.3	-75.5	0	0	0	113.7	L84 M85	L84-H87 WeakPolarHBondContact O-CB 3.48Å; L84-H87 PolarHBondContact O-N 2.79Å; M85-H87 PolarHBondContact O-N 3.28Å
88	Y	89.4	Confident	89	Confident	38 Å²	38	75.6 Å²	75.6	15%	0.149	38%	0.381	C	S	.	.	S	Bend	trans	-113.7	131.4	-179.2	-57.7	-86.7	0	0	0	110.6	F77 L84 M85 V94 W96 E99 F143	F77-Y88 AromaticContact CE1-CE2 3.95Å; F77-Y88 HydrophobicContact CE1-CE2 3.95Å; F77-Y88 HydrophobicContact CZ-CE2 4.23Å; L84-Y88 WeakPolarHBondContact O-CD2 3.4Å; L84-Y88 WeakPolarHBondContact O-CE2 3.3Å; M85-Y88 PolarHBondContact O-N 3.06Å; Y88-V94 HydrophobicContact CD1-CG1 4.37Å; Y88-V94 HydrophobicContact CD1-CG2 3.87Å; Y88-V94 HydrophobicContact CE1-CG1 4.22Å; Y88-V94 HydrophobicContact CE1-CG2 4.44Å; Y88-W96 HydrophobicContact CD1-CH2 4.09Å; Y88-W96 HydrophobicContact CD2-CH2 4.07Å; Y88-W96 HydrophobicContact CD2-CZ3 4.32Å; Y88-W96 HydrophobicContact CE2-CZ3 4.39Å; Y88-W96 AromaticContact CG-CH2 3.81Å; Y88-W96 HydrophobicContact CG-CH2 3.81Å; Y88-W96 HydrophobicContact CG-CZ3 4.39Å; Y88-E99 HydrophobicContact CE1-CG 4.19Å; Y88-E99 WeakPolarHBondContact CE1-OE1 2.93Å; Y88-E99 VanDerWaalsContact OH-CD 3.3Å; Y88-E99 VanDerWaalsContact OH-CG 3.27Å; Y88-E99 WeakPolarHBondContact OH-CG 3.37Å; Y88-E99 PolarHBondContact OH-OE1 2.9Å; Y88-F143 WeakPolarHBondContact OH-CZ 3.39Å
89	S	84.3	Confident	89	Confident	51 Å²	51	72.5 Å²	72.5	36%	0.357	37%	0.372	S	S	.	.			trans	-76.2	147.3	170.6	-176.1	0	0	0	0	110.5	T91 D92	S89-T91 PolarHBondContact O-N 2.95Å; S89-T91 VanDerWaalsContact O-N 3.1Å; S89-T91 PolarHBondContact OG-N 2.93Å; S89-T91 PolarHBondContact OG-OG1 3.37Å; S89-D92 VanDerWaalsContact CB-CG 3.47Å; S89-D92 WeakPolarHBondContact CB-OD2 3.49Å; S89-D92 PolarHBondContact N-OD2 3.11Å; S89-D92 PolarHBondContact O-N 2.85Å
90	P	78.3	Confident	89.1	Confident	122 Å²	122	69.6 Å²	69.6	79%	0.792	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.9	169.4	-24.3	34.2	0	0	0	114
91	T	78.6	Confident	89.2	Confident	122 Å²	122	68.2 Å²	68.2	75%	0.748	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-11.8	-177.9	55.7	0	0	0	0	114	S89	S89-T91 PolarHBondContact O-N 2.95Å; S89-T91 VanDerWaalsContact O-N 3.1Å; S89-T91 PolarHBondContact OG-N 2.93Å; S89-T91 PolarHBondContact OG-OG1 3.37Å
92	D	81	Confident	89.2	Confident	85 Å²	85	70.2 Å²	70.2	46%	0.455	36%	0.363	S	S	.	.			trans	-76.7	132.1	-174.3	-63	-22.1	0	0	0	110.6	S89 V94	S89-D92 VanDerWaalsContact CB-CG 3.47Å; S89-D92 WeakPolarHBondContact CB-OD2 3.49Å; S89-D92 PolarHBondContact N-OD2 3.11Å; S89-D92 PolarHBondContact O-N 2.85Å; D92-V94 HydrophobicContact CB-CG2 3.95Å; D92-V94 PolarHBondContact O-N 2.98Å
93	Y	86.1	Confident	89.3	Confident	189 Å²	189	66.2 Å²	66.2	74%	0.741	34%	0.337	S	S	*	.			trans	-76.7	108.6	167.9	179.9	-95.5	0	0	0	109
94	V	89.1	Confident	89.5	Confident	18 Å²	18	65.9 Å²	65.9	11%	0.109	33%	0.329	C	S	.	.			trans	-120.2	131.3	-178.1	-177	0	0	0	0	109.8	Y88 D92 W96 E99	Y88-V94 HydrophobicContact CD1-CG1 4.37Å; Y88-V94 HydrophobicContact CD1-CG2 3.87Å; Y88-V94 HydrophobicContact CE1-CG1 4.22Å; Y88-V94 HydrophobicContact CE1-CG2 4.44Å; D92-V94 HydrophobicContact CB-CG2 3.95Å; D92-V94 PolarHBondContact O-N 2.98Å; V94-W96 HydrophobicContact CB-CD2 4.29Å; V94-W96 HydrophobicContact CB-CZ2 3.94Å; V94-W96 HydrophobicContact CG1-CD2 3.97Å; V94-W96 HydrophobicContact CG1-CE3 4.18Å; V94-W96 HydrophobicContact CG1-CG 4.43Å; V94-W96 HydrophobicContact CG1-CH2 4.37Å; V94-W96 HydrophobicContact CG1-CZ2 4.17Å; V94-W96 HydrophobicContact CG1-CZ3 4.38Å; V94-W96 HydrophobicContact CG2-CZ2 4.23Å; V94-W96 VanDerWaalsContact O-CD1 3.29Å; V94-W96 PolarHBondContact O-N 3.47Å; V94-E99 HydrophobicContact CG1-CB 4.34Å; V94-E99 HydrophobicContact CG1-CG 4.42Å
95	N	92.8	Very high	89.5	Confident	51 Å²	51	70.9 Å²	70.9	27%	0.273	35%	0.351	S	S	.	.			trans	-82.9	90.2	168	-176.7	-25.7	0	0	0	109.1	S68 L97 E98 E99	S68-N95 WeakPolarHBondContact CB-OD1 3.42Å; S68-N95 CarbonylContact O-C 3.36Å; S68-N95 PolarHBondContact O-OD1 3.41Å; S68-N95 PolarHBondContact OG-ND2 3.38Å; N95-L97 VanDerWaalsContact C-N 3.31Å; N95-L97 PolarHBondContact O-N 3.15Å; N95-L97 PolarHBondContact OD1-N 2.88Å; N95-E98 HydrophobicContact CB-CB 4.33Å; N95-E98 WeakPolarHBondContact ND2-CG 3.32Å; N95-E98 PolarHBondContact O-N 3.18Å; N95-E98 PolarHBondContact OD1-N 3.27Å; N95-E98 VanDerWaalsContact OD1-N 3.12Å; N95-E99 WeakPolarHBondContact O-CB 3.38Å; N95-E99 PolarHBondContact O-N 2.98Å
96	W	92.5	Very high	89.5	Confident	13 Å²	13	69.3 Å²	69.3	5%	0.049	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-30	-174.4	-66	101.4	0	0	0	114.6	S68 W73 K74 F77 M85 Y88 V94 Y100	S68-W96 PolarHBondContact O-N 3Å; W73-W96 HydrophobicContact CB-CB 3.66Å; K74-W96 HydrophobicContact CB-CB 4.38Å; K74-W96 HydrophobicContact CB-CD2 3.7Å; K74-W96 HydrophobicContact CB-CE3 4.38Å; K74-W96 HydrophobicContact CB-CG 3.65Å; K74-W96 HydrophobicContact CD-CD2 4.43Å; K74-W96 HydrophobicContact CD-CZ2 3.77Å; K74-W96 HydrophobicContact CG-CD2 3.79Å; K74-W96 HydrophobicContact CG-CE3 4.26Å; K74-W96 HydrophobicContact CG-CG 4.27Å; K74-W96 HydrophobicContact CG-CH2 4.24Å; K74-W96 HydrophobicContact CG-CZ2 3.77Å; K74-W96 HydrophobicContact CG-CZ3 4.46Å; F77-W96 HydrophobicContact CB-CE3 4.1Å; F77-W96 HydrophobicContact CD1-CE3 4.23Å; F77-W96 AromaticContact CD1-CZ3 3.86Å; F77-W96 HydrophobicContact CD1-CZ3 3.86Å; F77-W96 HydrophobicContact CE1-CZ3 4.29Å; F77-W96 HydrophobicContact CG-CE3 4.09Å; F77-W96 HydrophobicContact CG-CZ3 4.2Å; M85-W96 HydrophobicContact CE-CH2 4.01Å; M85-W96 HydrophobicContact CE-CZ3 4.43Å; M85-W96 HydrophobicContact SD-CH2 4.37Å; M85-W96 HydrophobicContact SD-CZ3 4.25Å; Y88-W96 HydrophobicContact CD1-CH2 4.09Å; Y88-W96 HydrophobicContact CD2-CH2 4.07Å; Y88-W96 HydrophobicContact CD2-CZ3 4.32Å; Y88-W96 HydrophobicContact CE2-CZ3 4.39Å; Y88-W96 AromaticContact CG-CH2 3.81Å; Y88-W96 HydrophobicContact CG-CH2 3.81Å; Y88-W96 HydrophobicContact CG-CZ3 4.39Å; V94-W96 HydrophobicContact CB-CD2 4.29Å; V94-W96 HydrophobicContact CB-CZ2 3.94Å; V94-W96 HydrophobicContact CG1-CD2 3.97Å; V94-W96 HydrophobicContact CG1-CE3 4.18Å; V94-W96 HydrophobicContact CG1-CG 4.43Å; V94-W96 HydrophobicContact CG1-CH2 4.37Å; V94-W96 HydrophobicContact CG1-CZ2 4.17Å; V94-W96 HydrophobicContact CG1-CZ3 4.38Å; V94-W96 HydrophobicContact CG2-CZ2 4.23Å; V94-W96 VanDerWaalsContact O-CD1 3.29Å; V94-W96 PolarHBondContact O-N 3.47Å; W96-Y100 WeakPolarHBondContact O-CB 3.48Å; W96-Y100 PolarHBondContact O-N 3.32Å
97	L	92.3	Very high	89.7	Confident	34 Å²	34	61.4 Å²	61.4	18%	0.178	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-46.7	173.9	171.6	58.4	0	0	0	111.3	S68 W73 N95 Y100 K101	S68-L97 PolarHBondContact O-N 3.38Å; W73-L97 HydrophobicContact CB-CB 4.48Å; W73-L97 HydrophobicContact CD2-CB 4.12Å; W73-L97 HydrophobicContact CD2-CD1 3.8Å; W73-L97 HydrophobicContact CE3-CD1 4.01Å; W73-L97 HydrophobicContact CG-CB 3.93Å; W73-L97 HydrophobicContact CG-CD1 4.49Å; W73-L97 HydrophobicContact CH2-CD1 3.81Å; W73-L97 HydrophobicContact CZ2-CD1 3.58Å; W73-L97 HydrophobicContact CZ3-CD1 4.01Å; N95-L97 VanDerWaalsContact C-N 3.31Å; N95-L97 PolarHBondContact O-N 3.15Å; N95-L97 PolarHBondContact OD1-N 2.88Å; L97-Y100 PolarHBondContact O-N 2.89Å; L97-K101 HydrophobicContact CD1-CD 4.42Å; L97-K101 HydrophobicContact CD1-CG 4.37Å; L97-K101 WeakPolarHBondContact O-CG 3.4Å; L97-K101 PolarHBondContact O-N 3.41Å
98	E	92.1	Very high	89.9	Confident	82 Å²	82	60.9 Å²	60.9	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-66.6	-41.2	176.9	-67.9	-52.2	129.5	0	0	110.9	N95 Y100 K101 V102	N95-E98 HydrophobicContact CB-CB 4.33Å; N95-E98 WeakPolarHBondContact ND2-CG 3.32Å; N95-E98 PolarHBondContact O-N 3.18Å; N95-E98 PolarHBondContact OD1-N 3.27Å; N95-E98 VanDerWaalsContact OD1-N 3.12Å; E98-Y100 VanDerWaalsContact C-N 3.32Å; E98-Y100 PolarHBondContact O-N 2.72Å; E98-K101 WeakPolarHBondContact O-CB 3.33Å; E98-K101 PolarHBondContact O-N 2.85Å; E98-K101 VanDerWaalsContact O-N 3.12Å; E98-K101 IonicContact OE1-NZ 3.93Å; E98-K101 PolarHBondContact OE1-NZ 2.81Å; E98-V102 VanDerWaalsContact O-CG2 3.31Å; E98-V102 WeakPolarHBondContact O-CG2 3.42Å; E98-V102 PolarHBondContact O-N 2.66Å
99	E	92.9	Very high	90	Very high	46 Å²	46	62.1 Å²	62.1	22%	0.215	32%	0.318	C	S	.	.	H	α-helix	trans	-58.7	-44.3	175.7	-155.6	70.3	175.5	0	0	111.9	F77 Y88 V94 N95 K101 V102 R103 F143	F77-E99 HydrophobicContact CE2-CB 4.4Å; F77-E99 HydrophobicContact CE2-CG 3.92Å; F77-E99 HydrophobicContact CZ-CG 4.25Å; Y88-E99 HydrophobicContact CE1-CG 4.19Å; Y88-E99 WeakPolarHBondContact CE1-OE1 2.93Å; Y88-E99 VanDerWaalsContact OH-CD 3.3Å; Y88-E99 VanDerWaalsContact OH-CG 3.27Å; Y88-E99 WeakPolarHBondContact OH-CG 3.37Å; Y88-E99 PolarHBondContact OH-OE1 2.9Å; V94-E99 HydrophobicContact CG1-CB 4.34Å; V94-E99 HydrophobicContact CG1-CG 4.42Å; N95-E99 WeakPolarHBondContact O-CB 3.38Å; N95-E99 PolarHBondContact O-N 2.98Å; E99-K101 PolarHBondContact O-N 3.25Å; E99-V102 PolarHBondContact O-N 3.02Å; E99-R103 WeakPolarHBondContact O-CB 3.5Å; E99-R103 PolarHBondContact O-N 2.76Å; E99-F143 HydrophobicContact CG-CZ 4.03Å; E99-F143 WeakPolarHBondContact OE1-CZ 3.28Å
100	Y	93.3	Very high	90.4	Very high	16 Å²	16	59.7 Å²	59.7	6%	0.063	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-45.7	174.9	-172.8	-75.3	0	0	0	111.5	A49 W73 Q76 F77 R80 W81 W96 L97 E98 Q104	A49-Y100 HydrophobicContact CB-CE1 3.7Å; A49-Y100 HydrophobicContact CB-CE2 4.07Å; A49-Y100 WeakPolarHBondContact CB-OH 3.45Å; W73-Y100 HydrophobicContact CE3-CD2 4.29Å; W73-Y100 HydrophobicContact CE3-CG 4.1Å; W73-Y100 HydrophobicContact CZ3-CD1 4.02Å; W73-Y100 HydrophobicContact CZ3-CD2 4.36Å; W73-Y100 HydrophobicContact CZ3-CE1 4.35Å; W73-Y100 HydrophobicContact CZ3-CG 4.06Å; Q76-Y100 HydrophobicContact CB-CD2 4.42Å; Q76-Y100 HydrophobicContact CB-CE2 4.27Å; F77-Y100 HydrophobicContact CB-CD2 4.35Å; F77-Y100 HydrophobicContact CD2-CD2 4.39Å; R80-Y100 WeakPolarHBondContact CD-OH 3.46Å; R80-Y100 PolarHBondContact NH1-OH 2.7Å; W81-Y100 HydrophobicContact CE3-CD2 4.42Å; W81-Y100 HydrophobicContact CE3-CE2 4.48Å; W81-Y100 HydrophobicContact CH2-CD1 4.45Å; W81-Y100 HydrophobicContact CH2-CD2 4.15Å; W81-Y100 HydrophobicContact CH2-CE1 4.23Å; W81-Y100 AromaticContact CH2-CE2 3.93Å; W81-Y100 HydrophobicContact CH2-CE2 3.93Å; W81-Y100 HydrophobicContact CH2-CG 4.38Å; W81-Y100 AromaticContact CH2-CZ 3.95Å; W81-Y100 HydrophobicContact CZ3-CD1 4.46Å; W81-Y100 AromaticContact CZ3-CD2 3.5Å; W81-Y100 HydrophobicContact CZ3-CD2 3.5Å; W81-Y100 AromaticContact CZ3-CE2 3.59Å; W81-Y100 HydrophobicContact CZ3-CE2 3.59Å; W81-Y100 AromaticContact CZ3-CG 3.94Å; W81-Y100 HydrophobicContact CZ3-CG 3.94Å; W96-Y100 WeakPolarHBondContact O-CB 3.48Å; W96-Y100 PolarHBondContact O-N 3.32Å; L97-Y100 PolarHBondContact O-N 2.89Å; E98-Y100 VanDerWaalsContact C-N 3.32Å; E98-Y100 PolarHBondContact O-N 2.72Å; Y100-Q104 HydrophobicContact CE1-CB 4.43Å; Y100-Q104 WeakPolarHBondContact O-CB 3.31Å; Y100-Q104 PolarHBondContact O-N 3.5Å
101	K	92.5	Very high	91.1	Very high	101 Å²	101	58.1 Å²	58.1	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-45.1	178.2	-73.4	172.4	-175	170.3	0	111.8	L97 E98 E99 Q104 K105	L97-K101 HydrophobicContact CD1-CD 4.42Å; L97-K101 HydrophobicContact CD1-CG 4.37Å; L97-K101 WeakPolarHBondContact O-CG 3.4Å; L97-K101 PolarHBondContact O-N 3.41Å; E98-K101 WeakPolarHBondContact O-CB 3.33Å; E98-K101 PolarHBondContact O-N 2.85Å; E98-K101 VanDerWaalsContact O-N 3.12Å; E98-K101 IonicContact OE1-NZ 3.93Å; E98-K101 PolarHBondContact OE1-NZ 2.81Å; E99-K101 PolarHBondContact O-N 3.25Å; K101-Q104 PolarHBondContact O-N 2.96Å; K101-K105 WeakPolarHBondContact O-CB 3.32Å; K101-K105 PolarHBondContact O-N 3.15Å
102	V	93.8	Very high	91.8	Very high	53 Å²	53	58.2 Å²	58.2	32%	0.321	27%	0.27	S	S	.	.	H	α-helix	trans	-63.4	-48.4	180	174.9	0	0	0	0	110.1	E98 E99 Q104 K105 A106 F143	E98-V102 VanDerWaalsContact O-CG2 3.31Å; E98-V102 WeakPolarHBondContact O-CG2 3.42Å; E98-V102 PolarHBondContact O-N 2.66Å; E99-V102 PolarHBondContact O-N 3.02Å; V102-Q104 VanDerWaalsContact C-N 3.34Å; V102-Q104 PolarHBondContact O-N 3.33Å; V102-K105 PolarHBondContact O-N 3.43Å; V102-A106 WeakPolarHBondContact O-CB 3.44Å; V102-A106 PolarHBondContact O-N 3.12Å; V102-F143 HydrophobicContact CB-CE2 4.26Å; V102-F143 HydrophobicContact CG1-CD2 3.99Å; V102-F143 HydrophobicContact CG1-CE2 3.84Å
103	R	93.9	Very high	92.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-40.9	175.7	175.2	56.1	-171.9	84.8	-2.7	112.3	F77 W81 L84 E99 A106 G107 F143 D146 E147	F77-R103 HydrophobicContact CE2-CB 4Å; F77-R103 HydrophobicContact CE2-CG 4.32Å; W81-R103 HydrophobicContact CD2-CG 3.65Å; W81-R103 HydrophobicContact CE3-CB 4.37Å; W81-R103 HydrophobicContact CE3-CG 3.7Å; W81-R103 HydrophobicContact CG-CG 4.33Å; W81-R103 HydrophobicContact CH2-CB 4.17Å; W81-R103 HydrophobicContact CH2-CG 3.76Å; W81-R103 HydrophobicContact CZ2-CG 3.71Å; W81-R103 HydrophobicContact CZ3-CB 4.06Å; W81-R103 HydrophobicContact CZ3-CG 3.74Å; L84-R103 HydrophobicContact CD1-CG 4.06Å; E99-R103 WeakPolarHBondContact O-CB 3.5Å; E99-R103 PolarHBondContact O-N 2.76Å; R103-A106 PolarHBondContact O-N 2.77Å; R103-G107 PolarHBondContact O-N 3.4Å; R103-F143 HydrophobicContact CB-CD1 4.28Å; R103-F143 HydrophobicContact CB-CD2 3.76Å; R103-F143 HydrophobicContact CB-CE1 4.34Å; R103-F143 HydrophobicContact CB-CE2 3.82Å; R103-F143 HydrophobicContact CB-CG 3.99Å; R103-F143 HydrophobicContact CB-CZ 4.11Å; R103-F143 HydrophobicContact CG-CD1 4.31Å; R103-F143 HydrophobicContact CG-CD2 4.49Å; R103-F143 HydrophobicContact CG-CG 4.22Å; R103-F143 PolarHBondContact NE-O 3.01Å; R103-D146 IonicContact CZ-OD1 3.3Å; R103-D146 IonicContact NE-OD1 2.7Å; R103-D146 PolarHBondContact NE-OD1 3.3Å; R103-D146 IonicContact NH2-OD1 2.77Å; R103-D146 PolarHBondContact NH2-OD1 3.06Å; R103-E147 IonicContact CZ-OE2 3.76Å; R103-E147 VanDerWaalsContact CZ-OE2 3.3Å; R103-E147 IonicContact NH1-OE2 2.85Å; R103-E147 PolarHBondContact NH1-OE2 2.96Å; R103-E147 IonicContact NH2-OE2 2.71Å; R103-E147 PolarHBondContact NH2-OE2 2.95Å
104	Q	93.5	Very high	92.5	Very high	49 Å²	49	46 Å²	46	23%	0.229	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-43.2	177.4	-176.4	62.9	50.6	0	0	111.8	R80 W81 Y100 K101 V102 G107 L108	R80-Q104 VanDerWaalsContact NH2-OE1 3.16Å; W81-Q104 HydrophobicContact CH2-CB 4.2Å; Y100-Q104 HydrophobicContact CE1-CB 4.43Å; Y100-Q104 WeakPolarHBondContact O-CB 3.31Å; Y100-Q104 PolarHBondContact O-N 3.5Å; K101-Q104 PolarHBondContact O-N 2.96Å; V102-Q104 VanDerWaalsContact C-N 3.34Å; V102-Q104 PolarHBondContact O-N 3.33Å; Q104-G107 PolarHBondContact O-N 3.4Å; Q104-L108 HydrophobicContact CG-CD1 4.44Å; Q104-L108 WeakPolarHBondContact O-CG 3.07Å; Q104-L108 PolarHBondContact O-N 3.36Å; Q104-L108 VanDerWaalsContact O-N 3.11Å
105	K	93.3	Very high	92.7	Very high	110 Å²	110	47.2 Å²	47.2	48%	0.478	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-50.3	175.2	-175	-173.3	174	-164.1	0	110.3	K101 V102 G107 L108 E109 E138	K101-K105 WeakPolarHBondContact O-CB 3.32Å; K101-K105 PolarHBondContact O-N 3.15Å; V102-K105 PolarHBondContact O-N 3.43Å; K105-G107 VanDerWaalsContact C-N 3.3Å; K105-G107 PolarHBondContact O-N 2.84Å; K105-L108 PolarHBondContact O-N 3.47Å; K105-L108 VanDerWaalsContact O-N 3.16Å; K105-E109 PolarHBondContact O-N 3.44Å; K105-E138 IonicContact NZ-OE2 3.76Å; K105-E138 PolarHBondContact NZ-OE2 3.33Å
106	A	92.6	Very high	92.6	Very high	10 Å²	10	46.6 Å²	46.6	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-56.9	-42	178.4	0	0	0	0	0	112.3	V102 R103 E109 A110 F143	V102-A106 WeakPolarHBondContact O-CB 3.44Å; V102-A106 PolarHBondContact O-N 3.12Å; R103-A106 PolarHBondContact O-N 2.77Å; A106-E109 PolarHBondContact O-N 3.45Å; A106-A110 WeakPolarHBondContact O-CB 3.41Å; A106-A110 PolarHBondContact O-N 2.93Å; A106-F143 HydrophobicContact CB-CB 3.88Å
107	G	92.9	Very high	92.3	Very high	2 Å²	2	46 Å²	46	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-38.8	177.7	0	0	0	0	0	113.7	R103 Q104 K105 A110 R111	R103-G107 PolarHBondContact O-N 3.4Å; Q104-G107 PolarHBondContact O-N 3.4Å; K105-G107 VanDerWaalsContact C-N 3.3Å; K105-G107 PolarHBondContact O-N 2.84Å; G107-A110 PolarHBondContact O-N 2.79Å; G107-R111 WeakPolarHBondContact O-CG 3.3Å; G107-R111 PolarHBondContact O-N 3.04Å
108	L	92.8	Very high	92	Very high	86 Å²	86	45.5 Å²	45.5	45%	0.45	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-42.3	175	-71	168.2	0	0	0	111.4	Q104 K105 R111 K112	Q104-L108 HydrophobicContact CG-CD1 4.44Å; Q104-L108 WeakPolarHBondContact O-CG 3.07Å; Q104-L108 PolarHBondContact O-N 3.36Å; Q104-L108 VanDerWaalsContact O-N 3.11Å; K105-L108 PolarHBondContact O-N 3.47Å; K105-L108 VanDerWaalsContact O-N 3.16Å; L108-R111 PolarHBondContact O-N 3.29Å; L108-K112 VanDerWaalsContact O-CG 3.32Å; L108-K112 WeakPolarHBondContact O-CG 3.44Å; L108-K112 PolarHBondContact O-N 2.93Å
109	E	91.9	Very high	91.8	Very high	64 Å²	64	49.4 Å²	49.4	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-42.9	175.3	-65.2	-48.6	131.4	0	0	111.9	K105 A106 R111 K112 I113 F144	K105-E109 PolarHBondContact O-N 3.44Å; A106-E109 PolarHBondContact O-N 3.45Å; E109-R111 VanDerWaalsContact C-N 3.31Å; E109-R111 PolarHBondContact O-N 3.49Å; E109-K112 PolarHBondContact O-N 3.31Å; E109-K112 IonicContact OE1-NZ 3.97Å; E109-K112 PolarHBondContact OE1-NZ 2.9Å; E109-K112 IonicContact OE2-NZ 2.89Å; E109-I113 WeakPolarHBondContact O-CG1 3.23Å; E109-I113 PolarHBondContact O-N 3.44Å; E109-F144 HydrophobicContact CB-CE2 4.48Å
110	A	92.1	Very high	91.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.7	-45.6	174.8	0	0	0	0	0	112.1	A106 G107 I113 V114 F144 E147	A106-A110 WeakPolarHBondContact O-CB 3.41Å; A106-A110 PolarHBondContact O-N 2.93Å; G107-A110 PolarHBondContact O-N 2.79Å; A110-I113 PolarHBondContact O-N 3.38Å; A110-V114 VanDerWaalsContact O-CG2 3.24Å; A110-V114 WeakPolarHBondContact O-CG2 3.45Å; A110-V114 PolarHBondContact O-N 3.05Å; A110-F144 HydrophobicContact CB-CD1 4.25Å; A110-F144 HydrophobicContact CB-CD2 3.73Å; A110-F144 HydrophobicContact CB-CE1 3.98Å; A110-F144 HydrophobicContact CB-CE2 3.43Å; A110-F144 VanDerWaalsContact CB-CE2 3.43Å; A110-F144 HydrophobicContact CB-CG 4.15Å; A110-F144 HydrophobicContact CB-CZ 3.58Å; A110-E147 HydrophobicContact CB-CB 3.99Å; A110-E147 HydrophobicContact CB-CG 3.92Å
111	R	94	Very high	90.3	Very high	90 Å²	90	51.7 Å²	51.7	34%	0.34	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-41.1	177	-72.5	-177.4	-179.4	-110	-6.6	112.8	G107 L108 E109 I113 V114 A115 E147 I151 W162	G107-R111 WeakPolarHBondContact O-CG 3.3Å; G107-R111 PolarHBondContact O-N 3.04Å; L108-R111 PolarHBondContact O-N 3.29Å; E109-R111 VanDerWaalsContact C-N 3.31Å; E109-R111 PolarHBondContact O-N 3.49Å; R111-I113 VanDerWaalsContact C-N 3.34Å; R111-V114 PolarHBondContact O-N 3.29Å; R111-A115 WeakPolarHBondContact O-CB 3.28Å; R111-A115 PolarHBondContact O-N 3.13Å; R111-E147 HydrophobicContact CG-CG 4.33Å; R111-E147 IonicContact CZ-OE1 2.8Å; R111-E147 IonicContact NE-OE1 3.98Å; R111-E147 PolarHBondContact NE-OE1 3.41Å; R111-E147 IonicContact NH2-OE1 3.64Å; R111-E147 PolarHBondContact NH2-OE1 3.13Å; R111-I151 HydrophobicContact CG-CD1 4.16Å; R111-W162 HydrophobicContact CB-CH2 4.16Å; R111-W162 HydrophobicContact CB-CZ3 3.8Å; R111-W162 HydrophobicContact CG-CZ3 3.95Å; R111-W162 WeakPolarHBondContact O-CH2 3.37Å; R111-W162 WeakPolarHBondContact O-CZ3 3.34Å
112	K	92.8	Very high	89.6	Confident	124 Å²	124	47.1 Å²	47.1	54%	0.539	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-44.9	175.5	-73.7	171.8	-174.3	173.1	0	111.2	L108 E109 A115 S116	L108-K112 VanDerWaalsContact O-CG 3.32Å; L108-K112 WeakPolarHBondContact O-CG 3.44Å; L108-K112 PolarHBondContact O-N 2.93Å; E109-K112 PolarHBondContact O-N 3.31Å; E109-K112 IonicContact OE1-NZ 3.97Å; E109-K112 PolarHBondContact OE1-NZ 2.9Å; E109-K112 IonicContact OE2-NZ 2.89Å; K112-A115 PolarHBondContact O-N 2.98Å; K112-S116 PolarHBondContact O-N 3.31Å; K112-S116 VanDerWaalsContact O-N 3.07Å
113	I	90.3	Very high	88.2	Confident	15 Å²	15	47.3 Å²	47.3	8%	0.077	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-52.8	178.1	-71.1	166.6	0	0	0	109.9	E109 A110 R111 A115 S116 F117 D133 I134 L137 F144 I169	E109-I113 WeakPolarHBondContact O-CG1 3.23Å; E109-I113 PolarHBondContact O-N 3.44Å; A110-I113 PolarHBondContact O-N 3.38Å; R111-I113 VanDerWaalsContact C-N 3.34Å; I113-A115 VanDerWaalsContact C-N 3.3Å; I113-A115 PolarHBondContact O-N 3.3Å; I113-S116 PolarHBondContact O-N 3.12Å; I113-S116 PolarHBondContact O-OG 2.84Å; I113-F117 HydrophobicContact CG2-CD2 4.03Å; I113-F117 HydrophobicContact CG2-CE2 3.49Å; I113-F117 VanDerWaalsContact CG2-CE2 3.49Å; I113-F117 HydrophobicContact CG2-CZ 4.24Å; I113-F117 WeakPolarHBondContact O-CD2 3.33Å; I113-F117 PolarHBondContact O-N 3.39Å; I113-D133 HydrophobicContact CD1-CB 4.45Å; I113-I134 HydrophobicContact CD1-CG1 4.23Å; I113-I134 HydrophobicContact CG2-CD1 4Å; I113-I134 HydrophobicContact CG2-CG1 4.03Å; I113-L137 HydrophobicContact CD1-CD2 3.86Å; I113-F144 HydrophobicContact CD1-CE2 4.09Å; I113-F144 HydrophobicContact CD1-CZ 3.67Å; I113-I169 HydrophobicContact CG2-CD1 4.04Å
114	V	92.2	Very high	86.6	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-54.9	-44.8	177.5	172.5	0	0	0	0	111.5	A110 R111 S116 F117 L148 I151 W162 A166 I169	A110-V114 VanDerWaalsContact O-CG2 3.24Å; A110-V114 WeakPolarHBondContact O-CG2 3.45Å; A110-V114 PolarHBondContact O-N 3.05Å; R111-V114 PolarHBondContact O-N 3.29Å; V114-S116 VanDerWaalsContact C-N 3.3Å; V114-S116 PolarHBondContact O-N 3.29Å; V114-F117 PolarHBondContact O-N 3.41Å; V114-L148 HydrophobicContact CG2-CD2 3.7Å; V114-I151 HydrophobicContact CG2-CD1 4.04Å; V114-W162 HydrophobicContact CB-CE3 4.2Å; V114-W162 HydrophobicContact CB-CZ3 4.35Å; V114-W162 HydrophobicContact CG1-CB 4.28Å; V114-W162 HydrophobicContact CG1-CD2 4.03Å; V114-W162 HydrophobicContact CG1-CE3 3.61Å; V114-W162 HydrophobicContact CG1-CG 4.35Å; V114-W162 HydrophobicContact CG1-CZ3 4.23Å; V114-A166 HydrophobicContact CG1-CB 4.49Å; V114-A166 HydrophobicContact CG2-CB 4.19Å; V114-I169 HydrophobicContact CB-CD1 4.44Å; V114-I169 HydrophobicContact CG2-CD1 3.67Å
115	A	91.8	Very high	84.9	Confident	42 Å²	42	50 Å²	50	35%	0.347	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-37.8	178.6	0	0	0	0	0	112.6	R111 K112 I113 F117 S118 W162	R111-A115 WeakPolarHBondContact O-CB 3.28Å; R111-A115 PolarHBondContact O-N 3.13Å; K112-A115 PolarHBondContact O-N 2.98Å; I113-A115 VanDerWaalsContact C-N 3.3Å; I113-A115 PolarHBondContact O-N 3.3Å; A115-F117 VanDerWaalsContact C-N 3.3Å; A115-F117 PolarHBondContact O-N 3.13Å; A115-S118 PolarHBondContact O-OG 3.37Å; A115-W162 HydrophobicContact CB-CH2 3.85Å; A115-W162 HydrophobicContact CB-CZ2 3.8Å
116	S	90.4	Very high	83.3	Confident	38 Å²	38	45.2 Å²	45.2	27%	0.266	23%	0.225	S	C	.	.	H	α-helix	trans	-70.4	-23	-179.5	79.4	0	0	0	0	114.1	K112 I113 V114 S118 K119 R120	K112-S116 PolarHBondContact O-N 3.31Å; K112-S116 VanDerWaalsContact O-N 3.07Å; I113-S116 PolarHBondContact O-N 3.12Å; I113-S116 PolarHBondContact O-OG 2.84Å; V114-S116 VanDerWaalsContact C-N 3.3Å; V114-S116 PolarHBondContact O-N 3.29Å; S116-S118 PolarHBondContact O-N 2.99Å; S116-K119 PolarHBondContact O-N 3.39Å; S116-R120 WeakPolarHBondContact O-CD 3.25Å; S116-R120 WeakPolarHBondContact O-CG 3.41Å; S116-R120 PolarHBondContact O-N 3.04Å; S116-R120 VanDerWaalsContact O-N 3.14Å; S116-R120 PolarHBondContact OG-NH1 2.97Å
117	F	87.6	Confident	81.6	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-34.7	-170.1	-94.5	-132.7	0	0	0	113.2	I113 V114 A115 R120 F121 V126 F131 I134 Y165 I169	I113-F117 HydrophobicContact CG2-CD2 4.03Å; I113-F117 HydrophobicContact CG2-CE2 3.49Å; I113-F117 VanDerWaalsContact CG2-CE2 3.49Å; I113-F117 HydrophobicContact CG2-CZ 4.24Å; I113-F117 WeakPolarHBondContact O-CD2 3.33Å; I113-F117 PolarHBondContact O-N 3.39Å; V114-F117 PolarHBondContact O-N 3.41Å; A115-F117 VanDerWaalsContact C-N 3.3Å; A115-F117 PolarHBondContact O-N 3.13Å; F117-R120 PolarHBondContact O-N 3.25Å; F117-F121 HydrophobicContact CB-CD2 4.17Å; F117-F121 AromaticContact CD1-CD2 3.82Å; F117-F121 HydrophobicContact CD1-CD2 3.82Å; F117-F121 HydrophobicContact CD1-CE2 4.05Å; F117-F121 HydrophobicContact CD2-CD2 4.31Å; F117-F121 HydrophobicContact CD2-CE2 4.03Å; F117-F121 HydrophobicContact CE1-CD2 4.26Å; F117-F121 HydrophobicContact CE1-CE2 4.1Å; F117-F121 HydrophobicContact CE2-CE2 4.07Å; F117-F121 AromaticContact CG-CD2 3.86Å; F117-F121 HydrophobicContact CG-CD2 3.86Å; F117-F121 HydrophobicContact CG-CE2 4.03Å; F117-F121 HydrophobicContact CZ-CE2 4.11Å; F117-F121 WeakPolarHBondContact O-CA 3.41Å; F117-F121 WeakPolarHBondContact O-CB 3.08Å; F117-F121 WeakPolarHBondContact O-CD2 3.46Å; F117-F121 PolarHBondContact O-N 3.44Å; F117-V126 HydrophobicContact CD1-CG1 4.26Å; F117-V126 HydrophobicContact CD1-CG2 4.11Å; F117-V126 HydrophobicContact CE1-CG1 3.73Å; F117-V126 HydrophobicContact CE1-CG2 4.36Å; F117-F131 AromaticContact CE1-CD1 3.94Å; F117-F131 HydrophobicContact CE1-CD1 3.94Å; F117-F131 AromaticContact CE1-CE1 3.63Å; F117-F131 HydrophobicContact CE1-CE1 3.63Å; F117-F131 HydrophobicContact CE1-CZ 4.43Å; F117-F131 AromaticContact CZ-CD1 3.8Å; F117-F131 HydrophobicContact CZ-CD1 3.8Å; F117-F131 AromaticContact CZ-CE1 4Å; F117-F131 HydrophobicContact CZ-CE1 4Å; F117-I134 HydrophobicContact CZ-CD1 4Å; F117-Y165 HydrophobicContact CB-CD1 3.56Å; F117-Y165 HydrophobicContact CB-CD2 4.14Å; F117-Y165 HydrophobicContact CB-CE1 4.03Å; F117-Y165 HydrophobicContact CB-CG 3.6Å; F117-Y165 AromaticContact CD1-CD1 3.85Å; F117-Y165 HydrophobicContact CD1-CD1 3.85Å; F117-Y165 HydrophobicContact CD1-CG 4.41Å; F117-Y165 HydrophobicContact CG-CD1 4.21Å; F117-Y165 HydrophobicContact CG-CG 4.47Å; F117-I169 HydrophobicContact CD1-CD1 3.92Å; F117-I169 HydrophobicContact CD1-CG1 3.97Å; F117-I169 HydrophobicContact CD2-CD1 4.22Å; F117-I169 HydrophobicContact CE1-CD1 3.76Å; F117-I169 HydrophobicContact CE1-CG1 3.43Å; F117-I169 VanDerWaalsContact CE1-CG1 3.43Å; F117-I169 HydrophobicContact CE2-CD1 4.08Å; F117-I169 HydrophobicContact CE2-CG1 4.43Å; F117-I169 HydrophobicContact CG-CD1 4.14Å; F117-I169 HydrophobicContact CZ-CD1 3.85Å; F117-I169 HydrophobicContact CZ-CG1 3.7Å
118	S	86.5	Confident	79.7	Confident	23 Å²	23	47.6 Å²	47.6	16%	0.161	24%	0.24	C	C	.	.	H	α-helix	trans	-56.5	-59	174.9	58.3	0	0	0	0	110.5	A115 S116 R120 F121 F122	A115-S118 PolarHBondContact O-OG 3.37Å; S116-S118 PolarHBondContact O-N 2.99Å; S118-R120 VanDerWaalsContact C-N 3.27Å; S118-R120 PolarHBondContact O-N 3.4Å; S118-F121 CarbonylContact O-C 3.58Å; S118-F121 PolarHBondContact O-N 3.16Å; S118-F122 WeakPolarHBondContact O-CA 3.5Å; S118-F122 WeakPolarHBondContact O-CB 3.43Å; S118-F122 PolarHBondContact O-N 3.48Å
119	K	85.9	Confident	77.8	Confident	165 Å²	165	47.8 Å²	47.8	72%	0.717	24%	0.241	S	C	*	.	H	α-helix	trans	-55.3	-37.7	177.6	-172.7	173.5	-178.7	175.4	0	114.5	S116 E599	S116-K119 PolarHBondContact O-N 3.39Å; K119-E599 VanDerWaalsContact CA-OE1 3.31Å; K119-E599 WeakPolarHBondContact CA-OE1 3.34Å; K119-E599 WeakPolarHBondContact CB-OE1 3.4Å
120	R	79.5	Confident	76.1	Confident	92 Å²	92	44.9 Å²	44.9	35%	0.347	23%	0.228	S	C	.	.	H	α-helix	trans	-79.7	-34.9	-177.7	-70.2	164.7	64.8	-179.3	10.5	113.3	S116 F117 S118 G130 D133	S116-R120 WeakPolarHBondContact O-CD 3.25Å; S116-R120 WeakPolarHBondContact O-CG 3.41Å; S116-R120 PolarHBondContact O-N 3.04Å; S116-R120 VanDerWaalsContact O-N 3.14Å; S116-R120 PolarHBondContact OG-NH1 2.97Å; F117-R120 PolarHBondContact O-N 3.25Å; S118-R120 VanDerWaalsContact C-N 3.27Å; S118-R120 PolarHBondContact O-N 3.4Å; R120-G130 PolarHBondContact NH2-O 3.28Å; R120-D133 IonicContact CZ-OD2 2.91Å; R120-D133 IonicContact NH1-OD2 2.63Å; R120-D133 PolarHBondContact NH1-OD2 3.39Å; R120-D133 IonicContact NH2-OD2 2.65Å; R120-D133 PolarHBondContact NH2-OD2 3.34Å
121	F	76.3	Confident	75	Confident	17 Å²	17	45.5 Å²	45.5	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-134.7	32.7	-165.6	-47.5	-63.3	0	0	0	111.9	F117 S118 E124 V126 P127 G130 Y165	F117-F121 HydrophobicContact CB-CD2 4.17Å; F117-F121 AromaticContact CD1-CD2 3.82Å; F117-F121 HydrophobicContact CD1-CD2 3.82Å; F117-F121 HydrophobicContact CD1-CE2 4.05Å; F117-F121 HydrophobicContact CD2-CD2 4.31Å; F117-F121 HydrophobicContact CD2-CE2 4.03Å; F117-F121 HydrophobicContact CE1-CD2 4.26Å; F117-F121 HydrophobicContact CE1-CE2 4.1Å; F117-F121 HydrophobicContact CE2-CE2 4.07Å; F117-F121 AromaticContact CG-CD2 3.86Å; F117-F121 HydrophobicContact CG-CD2 3.86Å; F117-F121 HydrophobicContact CG-CE2 4.03Å; F117-F121 HydrophobicContact CZ-CE2 4.11Å; F117-F121 WeakPolarHBondContact O-CA 3.41Å; F117-F121 WeakPolarHBondContact O-CB 3.08Å; F117-F121 WeakPolarHBondContact O-CD2 3.46Å; F117-F121 PolarHBondContact O-N 3.44Å; S118-F121 CarbonylContact O-C 3.58Å; S118-F121 PolarHBondContact O-N 3.16Å; F121-E124 CarbonylContact C-O 3.48Å; F121-E124 VanDerWaalsContact C-O 3.27Å; F121-V126 HydrophobicContact CB-CG2 3.81Å; F121-V126 HydrophobicContact CD2-CB 4.44Å; F121-V126 HydrophobicContact CD2-CG1 4.02Å; F121-V126 HydrophobicContact CD2-CG2 3.96Å; F121-V126 HydrophobicContact CE2-CG1 4.08Å; F121-V126 HydrophobicContact CG-CB 4.37Å; F121-V126 HydrophobicContact CG-CG1 4.33Å; F121-V126 HydrophobicContact CG-CG2 3.97Å; F121-V126 HydrophobicContact CZ-CG1 4.45Å; F121-P127 HydrophobicContact CD1-CG 4.46Å; F121-P127 HydrophobicContact CE1-CG 3.95Å; F121-G130 VanDerWaalsContact CZ-CA 3.5Å; F121-Y165 PolarHBondContact O-OH 3.36Å
122	F	77.7	Confident	73.7	Confident	5 Å²	5	43.3 Å²	43.3	2%	0.022	23%	0.229	C	C	.	.	S	Bend	trans	-74.4	-53.2	170	-177.2	-99.5	0	0	0	109.9	S118 E124 R584 Y585 E599 L600	S118-F122 WeakPolarHBondContact O-CA 3.5Å; S118-F122 WeakPolarHBondContact O-CB 3.43Å; S118-F122 PolarHBondContact O-N 3.48Å; F122-E124 VanDerWaalsContact C-N 3.33Å; F122-E124 PolarHBondContact O-N 2.98Å; F122-R584 WeakPolarHBondContact CE2-O 3.42Å; F122-R584 PolarHBondContact O-NE 3.42Å; F122-R584 PolarHBondContact O-NH2 2.88Å; F122-Y585 AromaticContact CE2-CD1 3.88Å; F122-Y585 HydrophobicContact CE2-CD1 3.88Å; F122-Y585 HydrophobicContact CE2-CE1 4.42Å; F122-Y585 AromaticContact CZ-CD1 3.85Å; F122-Y585 HydrophobicContact CZ-CD1 3.85Å; F122-Y585 HydrophobicContact CZ-CE1 4.23Å; F122-E599 HydrophobicContact CB-CB 3.83Å; F122-E599 HydrophobicContact CB-CG 3.97Å; F122-E599 HydrophobicContact CD1-CB 3.82Å; F122-E599 HydrophobicContact CD2-CB 3.43Å; F122-E599 VanDerWaalsContact CD2-CB 3.43Å; F122-E599 HydrophobicContact CD2-CG 4.19Å; F122-E599 HydrophobicContact CE1-CB 4.2Å; F122-E599 HydrophobicContact CE2-CB 3.82Å; F122-E599 HydrophobicContact CG-CB 3.41Å; F122-E599 VanDerWaalsContact CG-CB 3.41Å; F122-E599 HydrophobicContact CG-CG 4.11Å; F122-E599 HydrophobicContact CZ-CB 4.19Å; F122-L600 HydrophobicContact CE2-CB 4.06Å; F122-L600 HydrophobicContact CZ-CB 3.72Å; F122-L600 HydrophobicContact CZ-CD1 3.92Å; F122-L600 HydrophobicContact CZ-CG 4.41Å
123	S	64.8	Low	72.7	Confident	57 Å²	57	40.9 Å²	40.9	40%	0.399	22%	0.222	S	C	.	.	S	Bend	trans	-74.7	-20.1	-179	-51	0	0	0	0	113.8	R603	S123-R603 PolarHBondContact OG-NH2 3.26Å
124	E	59.5	Low	71.9	Confident	64 Å²	64	40.5 Å²	40.5	30%	0.299	22%	0.22	S	C	.	.	S	Bend	trans	-128.5	152.7	-177.3	-61.6	-163.9	156.7	0	0	111.2	F121 F122 E441	F121-E124 CarbonylContact C-O 3.48Å; F121-E124 VanDerWaalsContact C-O 3.27Å; F122-E124 VanDerWaalsContact C-N 3.33Å; F122-E124 PolarHBondContact O-N 2.98Å; E124-E441 WeakPolarHBondContact CA-O 3.29Å
125	H	58.8	Low	70.9	Confident	43 Å²	43	46.2 Å²	46.2	20%	0.199	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-67.1	142.8	169.3	-167	65.7	0	0	0	110.5	P127 K442	H125-P127 WeakPolarHBondContact O-CD 3.14Å; H125-K442 HydrophobicContact CB-CD 4.25Å; H125-K442 HydrophobicContact CB-CG 4.24Å
126	V	58.5	Low	70	Confident	9 Å²	9	50.5 Å²	50.5	6%	0.055	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-58.8	116.1	179	-171.3	0	0	0	0	109.2	F117 F121 F131 Y165	F117-V126 HydrophobicContact CD1-CG1 4.26Å; F117-V126 HydrophobicContact CD1-CG2 4.11Å; F117-V126 HydrophobicContact CE1-CG1 3.73Å; F117-V126 HydrophobicContact CE1-CG2 4.36Å; F121-V126 HydrophobicContact CB-CG2 3.81Å; F121-V126 HydrophobicContact CD2-CB 4.44Å; F121-V126 HydrophobicContact CD2-CG1 4.02Å; F121-V126 HydrophobicContact CD2-CG2 3.96Å; F121-V126 HydrophobicContact CE2-CG1 4.08Å; F121-V126 HydrophobicContact CG-CB 4.37Å; F121-V126 HydrophobicContact CG-CG1 4.33Å; F121-V126 HydrophobicContact CG-CG2 3.97Å; F121-V126 HydrophobicContact CZ-CG1 4.45Å; V126-F131 HydrophobicContact CB-CE2 4.43Å; V126-F131 HydrophobicContact CB-CZ 4.11Å; V126-F131 HydrophobicContact CG1-CD2 4.26Å; V126-F131 HydrophobicContact CG1-CE1 3.86Å; V126-F131 HydrophobicContact CG1-CE2 3.56Å; V126-F131 HydrophobicContact CG1-CZ 3.33Å; V126-Y165 HydrophobicContact CG2-CD1 4.34Å; V126-Y165 HydrophobicContact CG2-CE1 4.17Å
127	P	58.3	Low	69.3	Low	11 Å²	11	51.2 Å²	51.2	7%	0.071	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-83.5	166.8	-177.4	34	-33.6	0	0	0	111.7	F121 H125 N129 G130 F131 C445	F121-P127 HydrophobicContact CD1-CG 4.46Å; F121-P127 HydrophobicContact CE1-CG 3.95Å; H125-P127 WeakPolarHBondContact O-CD 3.14Å; P127-N129 VanDerWaalsContact C-N 3.29Å; P127-N129 WeakPolarHBondContact CB-OD1 3.44Å; P127-N129 WeakPolarHBondContact CG-OD1 3.36Å; P127-N129 PolarHBondContact O-N 3.22Å; P127-G130 WeakPolarHBondContact O-CA 3.34Å; P127-G130 PolarHBondContact O-N 3.47Å; P127-F131 VanDerWaalsContact O-CD2 3.31Å; P127-F131 WeakPolarHBondContact O-CD2 3.47Å; P127-F131 WeakPolarHBondContact O-CE2 3.41Å; P127-C445 HydrophobicContact CB-CB 3.17Å; P127-C445 HydrophobicContact CG-CB 3.77Å; P127-C445 VanDerWaalsContact CG-SG 3.58Å
128	C	52.3	Low	68.7	Low	51 Å²	51	58.4 Å²	58.4	35%	0.345	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-59.1	-39.7	178.7	-63	0	0	0	0	112.1	G130	C128-G130 PolarHBondContact O-N 3.04Å
129	N	53.6	Low	68.3	Low	89 Å²	89	59.7 Å²	59.7	48%	0.476	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-75.8	-8.3	173.2	64.3	-18.2	0	0	0	113.5	P127 F131 S132	P127-N129 VanDerWaalsContact C-N 3.29Å; P127-N129 WeakPolarHBondContact CB-OD1 3.44Å; P127-N129 WeakPolarHBondContact CG-OD1 3.36Å; P127-N129 PolarHBondContact O-N 3.22Å; N129-F131 PolarHBondContact O-N 3.12Å; N129-F131 VanDerWaalsContact O-N 3.14Å; N129-S132 PolarHBondContact O-N 3.21Å; N129-S132 PolarHBondContact O-OG 3.42Å
130	G	56.3	Low	68.3	Low	3 Å²	3	54.4 Å²	54.4	3%	0.031	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-67.4	-10	176.4	0	0	0	0	0	113.3	R120 F121 P127 C128	R120-G130 PolarHBondContact NH2-O 3.28Å; F121-G130 VanDerWaalsContact CZ-CA 3.5Å; P127-G130 WeakPolarHBondContact O-CA 3.34Å; P127-G130 PolarHBondContact O-N 3.47Å; C128-G130 PolarHBondContact O-N 3.04Å
131	F	67.3	Low	68.6	Low	14 Å²	14	55.3 Å²	55.3	6%	0.061	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-104.6	14.2	177.7	-53.5	-83.7	0	0	0	112.9	F117 V126 P127 N129 D133 I134 E135 I169 Y172	F117-F131 AromaticContact CE1-CD1 3.94Å; F117-F131 HydrophobicContact CE1-CD1 3.94Å; F117-F131 AromaticContact CE1-CE1 3.63Å; F117-F131 HydrophobicContact CE1-CE1 3.63Å; F117-F131 HydrophobicContact CE1-CZ 4.43Å; F117-F131 AromaticContact CZ-CD1 3.8Å; F117-F131 HydrophobicContact CZ-CD1 3.8Å; F117-F131 AromaticContact CZ-CE1 4Å; F117-F131 HydrophobicContact CZ-CE1 4Å; V126-F131 HydrophobicContact CB-CE2 4.43Å; V126-F131 HydrophobicContact CB-CZ 4.11Å; V126-F131 HydrophobicContact CG1-CD2 4.26Å; V126-F131 HydrophobicContact CG1-CE1 3.86Å; V126-F131 HydrophobicContact CG1-CE2 3.56Å; V126-F131 HydrophobicContact CG1-CZ 3.33Å; P127-F131 VanDerWaalsContact O-CD2 3.31Å; P127-F131 WeakPolarHBondContact O-CD2 3.47Å; P127-F131 WeakPolarHBondContact O-CE2 3.41Å; N129-F131 PolarHBondContact O-N 3.12Å; N129-F131 VanDerWaalsContact O-N 3.14Å; F131-D133 PolarHBondContact O-N 2.94Å; F131-D133 VanDerWaalsContact O-N 3.14Å; F131-I134 HydrophobicContact CB-CB 4.4Å; F131-I134 HydrophobicContact CB-CD1 4.03Å; F131-I134 HydrophobicContact CD1-CD1 3.56Å; F131-I134 HydrophobicContact CG-CD1 4.28Å; F131-I134 WeakPolarHBondContact O-CA 3.44Å; F131-I134 VanDerWaalsContact O-CB 3.26Å; F131-I134 WeakPolarHBondContact O-CB 3.49Å; F131-I134 PolarHBondContact O-N 3.46Å; F131-E135 PolarHBondContact O-N 2.77Å; F131-I169 HydrophobicContact CD1-CG1 4.37Å; F131-I169 HydrophobicContact CE1-CG1 4.03Å; F131-Y172 HydrophobicContact CB-CD1 3.58Å; F131-Y172 HydrophobicContact CB-CE1 3.31Å; F131-Y172 HydrophobicContact CB-CE2 4.44Å; F131-Y172 HydrophobicContact CB-CG 4.26Å; F131-Y172 AromaticContact CD1-CD1 3.77Å; F131-Y172 HydrophobicContact CD1-CD1 3.77Å; F131-Y172 HydrophobicContact CD1-CE1 4.41Å; F131-Y172 AromaticContact CD1-CG 3.9Å; F131-Y172 HydrophobicContact CD1-CG 3.9Å; F131-Y172 AromaticContact CD2-CD1 3.89Å; F131-Y172 HydrophobicContact CD2-CD1 3.89Å; F131-Y172 AromaticContact CD2-CD2 3.58Å; F131-Y172 HydrophobicContact CD2-CD2 3.58Å; F131-Y172 HydrophobicContact CD2-CE1 4.05Å; F131-Y172 AromaticContact CD2-CE2 3.75Å; F131-Y172 HydrophobicContact CD2-CE2 3.75Å; F131-Y172 AromaticContact CD2-CG 3.64Å; F131-Y172 HydrophobicContact CD2-CG 3.64Å; F131-Y172 AromaticContact CD2-CZ 3.98Å; F131-Y172 HydrophobicContact CE1-CD1 4.4Å; F131-Y172 HydrophobicContact CE1-CG 4.09Å; F131-Y172 HydrophobicContact CE2-CD1 4.5Å; F131-Y172 AromaticContact CE2-CD2 3.74Å; F131-Y172 HydrophobicContact CE2-CD2 3.74Å; F131-Y172 HydrophobicContact CE2-CE2 4.29Å; F131-Y172 AromaticContact CE2-CG 3.85Å; F131-Y172 HydrophobicContact CE2-CG 3.85Å; F131-Y172 AromaticContact CG-CD1 3.48Å; F131-Y172 HydrophobicContact CG-CD1 3.48Å; F131-Y172 VanDerWaalsContact CG-CD1 3.48Å; F131-Y172 HydrophobicContact CG-CD2 4.08Å; F131-Y172 AromaticContact CG-CE1 3.7Å; F131-Y172 HydrophobicContact CG-CE1 3.7Å; F131-Y172 HydrophobicContact CG-CE2 4.26Å; F131-Y172 AromaticContact CG-CG 3.68Å; F131-Y172 HydrophobicContact CG-CG 3.68Å; F131-Y172 HydrophobicContact CZ-CD2 4.35Å; F131-Y172 HydrophobicContact CZ-CG 4.06Å
132	S	67.4	Low	69.2	Low	44 Å²	44	56.9 Å²	56.9	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-54.8	-33.7	178.2	58.2	0	0	0	0	113.6	N129 I134 E135 N136	N129-S132 PolarHBondContact O-N 3.21Å; N129-S132 PolarHBondContact O-OG 3.42Å; S132-I134 PolarHBondContact O-N 3.03Å; S132-E135 PolarHBondContact O-N 3.1Å; S132-N136 PolarHBondContact O-ND2 2.63Å
133	D	71.5	Confident	70	Confident	72 Å²	72	56.6 Å²	56.6	39%	0.385	31%	0.313	S	S	.	.	H	α-helix	trans	-68.9	-22.1	177.9	-49.6	-34.9	0	0	0	111.9	I113 R120 F131	I113-D133 HydrophobicContact CD1-CB 4.45Å; R120-D133 IonicContact CZ-OD2 2.91Å; R120-D133 IonicContact NH1-OD2 2.63Å; R120-D133 PolarHBondContact NH1-OD2 3.39Å; R120-D133 IonicContact NH2-OD2 2.65Å; R120-D133 PolarHBondContact NH2-OD2 3.34Å; F131-D133 PolarHBondContact O-N 2.94Å; F131-D133 VanDerWaalsContact O-N 3.14Å
134	I	74.2	Confident	71.2	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-86.5	-33.4	179.3	-68.7	153.8	0	0	0	110.7	I113 F117 F131 S132 N136 L137 F144 I169 L173	I113-I134 HydrophobicContact CD1-CG1 4.23Å; I113-I134 HydrophobicContact CG2-CD1 4Å; I113-I134 HydrophobicContact CG2-CG1 4.03Å; F117-I134 HydrophobicContact CZ-CD1 4Å; F131-I134 HydrophobicContact CB-CB 4.4Å; F131-I134 HydrophobicContact CB-CD1 4.03Å; F131-I134 HydrophobicContact CD1-CD1 3.56Å; F131-I134 HydrophobicContact CG-CD1 4.28Å; F131-I134 WeakPolarHBondContact O-CA 3.44Å; F131-I134 VanDerWaalsContact O-CB 3.26Å; F131-I134 WeakPolarHBondContact O-CB 3.49Å; F131-I134 PolarHBondContact O-N 3.46Å; S132-I134 PolarHBondContact O-N 3.03Å; I134-N136 PolarHBondContact O-N 3.1Å; I134-L137 HydrophobicContact CB-CD1 4.14Å; I134-L137 HydrophobicContact CG1-CD1 4.37Å; I134-L137 HydrophobicContact CG2-CD1 3.79Å; I134-L137 WeakPolarHBondContact O-CB 3.4Å; I134-L137 VanDerWaalsContact O-CD1 3.3Å; I134-L137 WeakPolarHBondContact O-CD1 3.4Å; I134-L137 VanDerWaalsContact O-CG 3.23Å; I134-L137 WeakPolarHBondContact O-CG 3.09Å; I134-L137 PolarHBondContact O-N 3.23Å; I134-F144 HydrophobicContact CG1-CE1 4.43Å; I134-F144 HydrophobicContact CG1-CZ 4.48Å; I134-I169 HydrophobicContact CD1-CB 4.42Å; I134-I169 HydrophobicContact CD1-CG1 4.08Å; I134-I169 HydrophobicContact CD1-CG2 3.6Å; I134-I169 HydrophobicContact CG1-CG2 4.44Å; I134-L173 HydrophobicContact CG2-CD1 4.14Å; I134-L173 HydrophobicContact CG2-CD2 3.23Å; I134-L173 HydrophobicContact CG2-CG 3.76Å
135	E	69.8	Low	72.8	Confident	123 Å²	123	52.7 Å²	52.7	58%	0.575	29%	0.288	S	S	*	.	H	α-helix	trans	-65.1	-23.7	176.5	-67.7	174	178.1	0	0	112.7	F131 S132 Y172	F131-E135 PolarHBondContact O-N 2.77Å; S132-E135 PolarHBondContact O-N 3.1Å; E135-Y172 PolarHBondContact OE1-OH 2.83Å
136	N	73.1	Confident	74.5	Confident	131 Å²	131	51.4 Å²	51.4	70%	0.701	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	17.5	-179.2	-63.9	-64.4	0	0	0	113.5	S132 I134 E138	S132-N136 PolarHBondContact O-ND2 2.63Å; I134-N136 PolarHBondContact O-N 3.1Å; N136-E138 PolarHBondContact O-N 3.15Å
137	L	77.3	Confident	76.2	Confident	53 Å²	53	51.6 Å²	51.6	28%	0.277	28%	0.283	S	S	.	.			trans	-66.7	129.3	-178.6	-73.7	167	0	0	0	112.1	I113 I134 F144	I113-L137 HydrophobicContact CD1-CD2 3.86Å; I134-L137 HydrophobicContact CB-CD1 4.14Å; I134-L137 HydrophobicContact CG1-CD1 4.37Å; I134-L137 HydrophobicContact CG2-CD1 3.79Å; I134-L137 WeakPolarHBondContact O-CB 3.4Å; I134-L137 VanDerWaalsContact O-CD1 3.3Å; I134-L137 WeakPolarHBondContact O-CD1 3.4Å; I134-L137 VanDerWaalsContact O-CG 3.23Å; I134-L137 WeakPolarHBondContact O-CG 3.09Å; I134-L137 PolarHBondContact O-N 3.23Å; L137-F144 HydrophobicContact CD1-CD1 3.81Å; L137-F144 HydrophobicContact CD1-CD2 3.53Å; L137-F144 HydrophobicContact CD1-CE1 3.7Å; L137-F144 HydrophobicContact CD1-CE2 3.4Å; L137-F144 VanDerWaalsContact CD1-CE2 3.4Å; L137-F144 HydrophobicContact CD1-CG 3.71Å; L137-F144 HydrophobicContact CD1-CZ 3.48Å; L137-F144 VanDerWaalsContact CD1-CZ 3.48Å; L137-F144 HydrophobicContact CD2-CD2 3.92Å; L137-F144 HydrophobicContact CD2-CE2 3.37Å; L137-F144 HydrophobicContact CD2-CZ 3.95Å; L137-F144 HydrophobicContact CG-CD2 4.32Å; L137-F144 HydrophobicContact CG-CE2 4.04Å; L137-F144 HydrophobicContact CG-CZ 4.36Å
138	E	74.2	Confident	77.9	Confident	152 Å²	152	51.1 Å²	51.1	71%	0.71	28%	0.28	S	S	*	.			trans	-83.2	126.4	171	-64.7	179.8	166.2	0	0	110.9	K105 N136	K105-E138 IonicContact NZ-OE2 3.76Å; K105-E138 PolarHBondContact NZ-OE2 3.33Å; N136-E138 PolarHBondContact O-N 3.15Å
139	G	77.1	Confident	79.9	Confident	51 Å²	51	50.7 Å²	50.7	53%	0.526	28%	0.276	S	S	.	.	S	Bend	trans	112.2	-177.6	170.3	0	0	0	0	0	114.5	E141	G139-E141 PolarHBondContact O-N 2.94Å
140	P	85.9	Confident	81.8	Confident	53 Å²	53	48.8 Å²	48.8	34%	0.344	27%	0.269	S	S	.	.			trans	-66.2	125.4	-175.9	-21.9	33.9	0	0	0	112.6	I142 F143	P140-I142 HydrophobicContact CB-CG1 3.82Å; P140-I142 PolarHBondContact O-N 3.33Å; P140-I142 VanDerWaalsContact O-N 3.12Å; P140-F143 HydrophobicContact CB-CD2 4.07Å; P140-F143 HydrophobicContact CB-CE2 4.26Å; P140-F143 HydrophobicContact CB-CG 4.26Å; P140-F143 HydrophobicContact CG-CD2 3.91Å; P140-F143 HydrophobicContact CG-CE2 3.77Å; P140-F143 HydrophobicContact CG-CZ 4.33Å; P140-F143 WeakPolarHBondContact O-CB 3.21Å; P140-F143 PolarHBondContact O-N 3Å
141	E	85.9	Confident	83.7	Confident	112 Å²	112	48.7 Å²	48.7	52%	0.523	27%	0.268	S	S	.	.	H	α-helix	trans	-52.9	-36.4	178.2	-66.7	178.1	173.6	0	0	113.1	G139 F143 F144 E145 K177	G139-E141 PolarHBondContact O-N 2.94Å; E141-F143 PolarHBondContact O-N 3.37Å; E141-F143 VanDerWaalsContact O-N 3.12Å; E141-F144 WeakPolarHBondContact O-CB 3.49Å; E141-F144 PolarHBondContact O-N 2.83Å; E141-E145 PolarHBondContact O-N 3.28Å; E141-K177 IonicContact OE2-NZ 3.5Å; E141-K177 PolarHBondContact OE2-NZ 3.33Å
142	I	89.8	Confident	84.9	Confident	49 Å²	49	50.2 Å²	50.2	25%	0.251	28%	0.276	S	S	.	.	H	α-helix	trans	-56.6	-30.3	-179.3	56.7	164.6	0	0	0	112.7	L84 P140 D146	L84-I142 HydrophobicContact CD2-CD1 4.45Å; P140-I142 HydrophobicContact CB-CG1 3.82Å; P140-I142 PolarHBondContact O-N 3.33Å; P140-I142 VanDerWaalsContact O-N 3.12Å; I142-D146 WeakPolarHBondContact O-CB 3.46Å; I142-D146 PolarHBondContact O-N 3.39Å
143	F	93.5	Very high	86	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-74.7	-35	179.4	-70.2	-7.8	0	0	0	112.1	F77 L84 Y88 E99 V102 R103 A106 P140 E141 E147	F77-F143 HydrophobicContact CZ-CE1 4.29Å; F77-F143 HydrophobicContact CZ-CZ 4.46Å; L84-F143 HydrophobicContact CD1-CD1 3.71Å; L84-F143 HydrophobicContact CD1-CE1 3.84Å; L84-F143 HydrophobicContact CD2-CD1 4.19Å; L84-F143 HydrophobicContact CD2-CE1 4.47Å; Y88-F143 WeakPolarHBondContact OH-CZ 3.39Å; E99-F143 HydrophobicContact CG-CZ 4.03Å; E99-F143 WeakPolarHBondContact OE1-CZ 3.28Å; V102-F143 HydrophobicContact CB-CE2 4.26Å; V102-F143 HydrophobicContact CG1-CD2 3.99Å; V102-F143 HydrophobicContact CG1-CE2 3.84Å; R103-F143 HydrophobicContact CB-CD1 4.28Å; R103-F143 HydrophobicContact CB-CD2 3.76Å; R103-F143 HydrophobicContact CB-CE1 4.34Å; R103-F143 HydrophobicContact CB-CE2 3.82Å; R103-F143 HydrophobicContact CB-CG 3.99Å; R103-F143 HydrophobicContact CB-CZ 4.11Å; R103-F143 HydrophobicContact CG-CD1 4.31Å; R103-F143 HydrophobicContact CG-CD2 4.49Å; R103-F143 HydrophobicContact CG-CG 4.22Å; R103-F143 PolarHBondContact NE-O 3.01Å; A106-F143 HydrophobicContact CB-CB 3.88Å; P140-F143 HydrophobicContact CB-CD2 4.07Å; P140-F143 HydrophobicContact CB-CE2 4.26Å; P140-F143 HydrophobicContact CB-CG 4.26Å; P140-F143 HydrophobicContact CG-CD2 3.91Å; P140-F143 HydrophobicContact CG-CE2 3.77Å; P140-F143 HydrophobicContact CG-CZ 4.33Å; P140-F143 WeakPolarHBondContact O-CB 3.21Å; P140-F143 PolarHBondContact O-N 3Å; E141-F143 PolarHBondContact O-N 3.37Å; E141-F143 VanDerWaalsContact O-N 3.12Å; F143-E147 PolarHBondContact O-N 3.09Å
144	F	91.5	Very high	87	Confident	8 Å²	8	53 Å²	53	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-73.9	-45.3	177.1	-153.1	-90.3	0	0	0	110.4	E109 A110 I113 I134 L137 E141 D146 E147 L148 I169 L173	E109-F144 HydrophobicContact CB-CE2 4.48Å; A110-F144 HydrophobicContact CB-CD1 4.25Å; A110-F144 HydrophobicContact CB-CD2 3.73Å; A110-F144 HydrophobicContact CB-CE1 3.98Å; A110-F144 HydrophobicContact CB-CE2 3.43Å; A110-F144 VanDerWaalsContact CB-CE2 3.43Å; A110-F144 HydrophobicContact CB-CG 4.15Å; A110-F144 HydrophobicContact CB-CZ 3.58Å; I113-F144 HydrophobicContact CD1-CE2 4.09Å; I113-F144 HydrophobicContact CD1-CZ 3.67Å; I134-F144 HydrophobicContact CG1-CE1 4.43Å; I134-F144 HydrophobicContact CG1-CZ 4.48Å; L137-F144 HydrophobicContact CD1-CD1 3.81Å; L137-F144 HydrophobicContact CD1-CD2 3.53Å; L137-F144 HydrophobicContact CD1-CE1 3.7Å; L137-F144 HydrophobicContact CD1-CE2 3.4Å; L137-F144 VanDerWaalsContact CD1-CE2 3.4Å; L137-F144 HydrophobicContact CD1-CG 3.71Å; L137-F144 HydrophobicContact CD1-CZ 3.48Å; L137-F144 VanDerWaalsContact CD1-CZ 3.48Å; L137-F144 HydrophobicContact CD2-CD2 3.92Å; L137-F144 HydrophobicContact CD2-CE2 3.37Å; L137-F144 HydrophobicContact CD2-CZ 3.95Å; L137-F144 HydrophobicContact CG-CD2 4.32Å; L137-F144 HydrophobicContact CG-CE2 4.04Å; L137-F144 HydrophobicContact CG-CZ 4.36Å; E141-F144 WeakPolarHBondContact O-CB 3.49Å; E141-F144 PolarHBondContact O-N 2.83Å; F144-D146 VanDerWaalsContact C-N 3.33Å; F144-D146 PolarHBondContact O-N 3.07Å; F144-E147 PolarHBondContact O-N 3.12Å; F144-L148 HydrophobicContact CD1-CD1 3.79Å; F144-L148 HydrophobicContact CD1-CG 4.31Å; F144-L148 HydrophobicContact CE1-CD1 4.03Å; F144-L148 HydrophobicContact CE1-CG 4.45Å; F144-L148 VanDerWaalsContact O-CG 3.31Å; F144-L148 WeakPolarHBondContact O-CG 3.14Å; F144-L148 PolarHBondContact O-N 2.95Å; F144-L148 VanDerWaalsContact O-N 3.1Å; F144-I169 HydrophobicContact CE1-CG2 4.23Å; F144-L173 HydrophobicContact CD1-CD1 3.65Å; F144-L173 HydrophobicContact CE1-CD1 4.07Å
145	E	92	Very high	87.5	Confident	30 Å²	30	61.4 Å²	61.4	14%	0.14	33%	0.326	C	S	.	.	H	α-helix	trans	-57.1	-45.5	172.4	-72.8	-166	-131.5	0	0	111.8	E141 E147 L148 V149 L170 R174 K177	E141-E145 PolarHBondContact O-N 3.28Å; E145-E147 PolarHBondContact O-N 3.04Å; E145-L148 PolarHBondContact O-N 2.77Å; E145-V149 WeakPolarHBondContact O-CG2 3.43Å; E145-V149 PolarHBondContact O-N 2.74Å; E145-L170 HydrophobicContact CB-CD1 4.14Å; E145-L170 HydrophobicContact CG-CD1 4Å; E145-R174 IonicContact OE2-CZ 2.8Å; E145-R174 IonicContact OE2-NE 3.59Å; E145-R174 PolarHBondContact OE2-NE 3.07Å; E145-R174 VanDerWaalsContact OE2-NE 3.13Å; E145-R174 IonicContact OE2-NH2 3.72Å; E145-K177 IonicContact OE1-NZ 3.8Å; E145-K177 PolarHBondContact OE1-NZ 3.01Å
146	D	94.1	Very high	88	Confident	16 Å²	16	58.3 Å²	58.3	9%	0.086	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-43.9	178.4	179	-98.2	0	0	0	112.1	S83 L84 R103 I142 F144 L148 V149 C150	S83-D146 PolarHBondContact OG-OD2 3.41Å; L84-D146 HydrophobicContact CD1-CB 4.41Å; L84-D146 HydrophobicContact CD2-CB 3.94Å; L84-D146 HydrophobicContact CG-CB 4.32Å; R103-D146 IonicContact CZ-OD1 3.3Å; R103-D146 IonicContact NE-OD1 2.7Å; R103-D146 PolarHBondContact NE-OD1 3.3Å; R103-D146 IonicContact NH2-OD1 2.77Å; R103-D146 PolarHBondContact NH2-OD1 3.06Å; I142-D146 WeakPolarHBondContact O-CB 3.46Å; I142-D146 PolarHBondContact O-N 3.39Å; F144-D146 VanDerWaalsContact C-N 3.33Å; F144-D146 PolarHBondContact O-N 3.07Å; D146-L148 PolarHBondContact O-N 3.29Å; D146-V149 PolarHBondContact O-N 2.83Å; D146-C150 PolarHBondContact O-N 3.05Å; D146-C150 PolarHBondContact O-SG 3.17Å
147	E	95.3	Very high	88.7	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.065	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-40.9	176.5	-169.8	68	-148.5	0	0	112.5	R103 A110 R111 F143 F144 E145 V149 C150 I151	R103-E147 IonicContact CZ-OE2 3.76Å; R103-E147 VanDerWaalsContact CZ-OE2 3.3Å; R103-E147 IonicContact NH1-OE2 2.85Å; R103-E147 PolarHBondContact NH1-OE2 2.96Å; R103-E147 IonicContact NH2-OE2 2.71Å; R103-E147 PolarHBondContact NH2-OE2 2.95Å; A110-E147 HydrophobicContact CB-CB 3.99Å; A110-E147 HydrophobicContact CB-CG 3.92Å; R111-E147 HydrophobicContact CG-CG 4.33Å; R111-E147 IonicContact CZ-OE1 2.8Å; R111-E147 IonicContact NE-OE1 3.98Å; R111-E147 PolarHBondContact NE-OE1 3.41Å; R111-E147 IonicContact NH2-OE1 3.64Å; R111-E147 PolarHBondContact NH2-OE1 3.13Å; F143-E147 PolarHBondContact O-N 3.09Å; F144-E147 PolarHBondContact O-N 3.12Å; E145-E147 PolarHBondContact O-N 3.04Å; E147-V149 VanDerWaalsContact C-N 3.32Å; E147-V149 PolarHBondContact O-N 2.69Å; E147-C150 WeakPolarHBondContact O-CB 3.37Å; E147-C150 PolarHBondContact O-N 3.46Å; E147-I151 HydrophobicContact CG-CD1 4.48Å; E147-I151 WeakPolarHBondContact O-CG1 3.38Å; E147-I151 PolarHBondContact O-N 3.45Å
148	L	94.6	Very high	89.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-41.9	177	-65.8	167.5	0	0	0	110.9	V114 F144 E145 D146 C150 I151 L152 A166 I169 L170 L173	V114-L148 HydrophobicContact CG2-CD2 3.7Å; F144-L148 HydrophobicContact CD1-CD1 3.79Å; F144-L148 HydrophobicContact CD1-CG 4.31Å; F144-L148 HydrophobicContact CE1-CD1 4.03Å; F144-L148 HydrophobicContact CE1-CG 4.45Å; F144-L148 VanDerWaalsContact O-CG 3.31Å; F144-L148 WeakPolarHBondContact O-CG 3.14Å; F144-L148 PolarHBondContact O-N 2.95Å; F144-L148 VanDerWaalsContact O-N 3.1Å; E145-L148 PolarHBondContact O-N 2.77Å; D146-L148 PolarHBondContact O-N 3.29Å; L148-C150 VanDerWaalsContact C-N 3.34Å; L148-I151 WeakPolarHBondContact O-CB 3.49Å; L148-I151 PolarHBondContact O-N 3.35Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 3.45Å; L148-A166 HydrophobicContact CD2-CB 3.99Å; L148-I169 HydrophobicContact CD1-CB 4.39Å; L148-I169 HydrophobicContact CD1-CG2 3.65Å; L148-I169 HydrophobicContact CD2-CB 4.24Å; L148-I169 HydrophobicContact CD2-CG2 4.01Å; L148-L170 HydrophobicContact CB-CB 4.26Å; L148-L170 HydrophobicContact CB-CD1 4.36Å; L148-L170 HydrophobicContact CD1-CB 4.12Å; L148-L170 HydrophobicContact CD1-CD1 4.22Å; L148-L173 HydrophobicContact CD1-CD1 3.66Å
149	V	93.8	Very high	90.2	Very high	43 Å²	43	55 Å²	55	26%	0.261	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-40.3	173.6	172.6	0	0	0	0	111.1	E145 D146 E147 I151 L152 N153 L170	E145-V149 WeakPolarHBondContact O-CG2 3.43Å; E145-V149 PolarHBondContact O-N 2.74Å; D146-V149 PolarHBondContact O-N 2.83Å; E147-V149 VanDerWaalsContact C-N 3.32Å; E147-V149 PolarHBondContact O-N 2.69Å; V149-I151 VanDerWaalsContact C-N 3.3Å; V149-I151 PolarHBondContact O-N 3.08Å; V149-L152 PolarHBondContact O-N 3.36Å; V149-N153 WeakPolarHBondContact CG1-ND2 3.49Å; V149-N153 WeakPolarHBondContact O-CB 3.42Å; V149-N153 PolarHBondContact O-N 3.29Å; V149-N153 PolarHBondContact O-ND2 2.87Å; V149-L170 HydrophobicContact CG2-CD2 3.8Å
150	C	93.7	Very high	91	Very high	49 Å²	49	53.5 Å²	53.5	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-39.8	173	-68.8	0	0	0	0	112.4	D146 E147 L148 N153 M154	D146-C150 PolarHBondContact O-N 3.05Å; D146-C150 PolarHBondContact O-SG 3.17Å; E147-C150 WeakPolarHBondContact O-CB 3.37Å; E147-C150 PolarHBondContact O-N 3.46Å; L148-C150 VanDerWaalsContact C-N 3.34Å; C150-N153 PolarHBondContact O-N 3.27Å; C150-M154 PolarHBondContact O-N 2.73Å
151	I	94.8	Very high	91.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-43.5	175.6	-65.5	164.6	0	0	0	110.8	R111 V114 E147 L148 V149 N153 M154 W162 A166	R111-I151 HydrophobicContact CG-CD1 4.16Å; V114-I151 HydrophobicContact CG2-CD1 4.04Å; E147-I151 HydrophobicContact CG-CD1 4.48Å; E147-I151 WeakPolarHBondContact O-CG1 3.38Å; E147-I151 PolarHBondContact O-N 3.45Å; L148-I151 WeakPolarHBondContact O-CB 3.49Å; L148-I151 PolarHBondContact O-N 3.35Å; V149-I151 VanDerWaalsContact C-N 3.3Å; V149-I151 PolarHBondContact O-N 3.08Å; I151-N153 VanDerWaalsContact C-N 3.28Å; I151-N153 PolarHBondContact O-N 3.1Å; I151-M154 HydrophobicContact CB-CE 4.4Å; I151-M154 HydrophobicContact CG1-CE 4.05Å; I151-M154 HydrophobicContact CG2-CE 4.49Å; I151-M154 HydrophobicContact CG2-SD 4.36Å; I151-M154 WeakPolarHBondContact O-CB 3.35Å; I151-M154 VanDerWaalsContact O-CG 3.31Å; I151-M154 WeakPolarHBondContact O-CG 3.42Å; I151-M154 PolarHBondContact O-N 3.3Å; I151-W162 HydrophobicContact CD1-CE3 4.24Å; I151-W162 HydrophobicContact CG2-CB 3.87Å; I151-W162 HydrophobicContact CG2-CE3 4.45Å; I151-A166 HydrophobicContact CB-CB 4.01Å; I151-A166 HydrophobicContact CD1-CB 4.44Å; I151-A166 HydrophobicContact CG2-CB 3.68Å
152	L	93.2	Very high	91.9	Very high	47 Å²	47	50.2 Å²	50.2	25%	0.246	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-36.7	177.8	-67.5	176.4	0	0	0	112.6	L148 V149 M154 K163 A166 K167 L170	L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 3.45Å; V149-L152 PolarHBondContact O-N 3.36Å; L152-M154 VanDerWaalsContact C-N 3.31Å; L152-M154 PolarHBondContact O-N 3.26Å; L152-K163 HydrophobicContact CD2-CB 4.35Å; L152-K163 WeakPolarHBondContact CD2-O 3.2Å; L152-A166 HydrophobicContact CD2-CB 4.23Å; L152-A166 HydrophobicContact CG-CB 4.41Å; L152-K167 HydrophobicContact CD2-CB 3.78Å; L152-L170 HydrophobicContact CD1-CD2 3.68Å
153	N	91.9	Very high	92.2	Very high	118 Å²	118	49.8 Å²	49.8	63%	0.631	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	5.6	-178.8	-67.8	-21.2	0	0	0	114.1	V149 C150 I151 E155	V149-N153 WeakPolarHBondContact CG1-ND2 3.49Å; V149-N153 WeakPolarHBondContact O-CB 3.42Å; V149-N153 PolarHBondContact O-N 3.29Å; V149-N153 PolarHBondContact O-ND2 2.87Å; C150-N153 PolarHBondContact O-N 3.27Å; I151-N153 VanDerWaalsContact C-N 3.28Å; I151-N153 PolarHBondContact O-N 3.1Å; N153-E155 PolarHBondContact O-N 2.63Å
154	M	91.4	Very high	92.1	Very high	56 Å²	56	50.6 Å²	50.6	28%	0.276	26%	0.26	S	S	.	.			trans	-55.8	128.5	173.4	-73.2	177.2	174.6	0	0	110.3	C150 I151 L152 A159 K163	C150-M154 PolarHBondContact O-N 2.73Å; I151-M154 HydrophobicContact CB-CE 4.4Å; I151-M154 HydrophobicContact CG1-CE 4.05Å; I151-M154 HydrophobicContact CG2-CE 4.49Å; I151-M154 HydrophobicContact CG2-SD 4.36Å; I151-M154 WeakPolarHBondContact O-CB 3.35Å; I151-M154 VanDerWaalsContact O-CG 3.31Å; I151-M154 WeakPolarHBondContact O-CG 3.42Å; I151-M154 PolarHBondContact O-N 3.3Å; L152-M154 VanDerWaalsContact C-N 3.31Å; L152-M154 PolarHBondContact O-N 3.26Å; M154-A159 HydrophobicContact SD-CB 4.09Å; M154-K163 WeakPolarHBondContact O-CE 3.46Å; M154-K163 PolarHBondContact O-NZ 3.1Å
155	E	84.4	Confident	92.1	Very high	185 Å²	185	50.2 Å²	50.2	86%	0.864	26%	0.258	S	S	*	.			trans	-66.2	152.9	-174.5	-69	-172.7	171.3	0	0	113.5	N153	N153-E155 PolarHBondContact O-N 2.63Å
156	G	80.9	Confident	92.2	Very high	57 Å²	57	48.8 Å²	48.8	59%	0.588	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	-171.8	173.5	0	0	0	0	0	114.5	K158 K163	G156-K158 PolarHBondContact O-N 2.79Å; G156-K163 PolarHBondContact O-NZ 3.32Å
157	R	86.6	Confident	92.1	Very high	117 Å²	117	53.1 Å²	53.1	44%	0.442	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	28.4	-173.1	-50.7	-170.9	175.7	141.8	-2.6	113.1	E576 E588 F589	R157-E576 WeakPolarHBondContact CD-OE2 3.48Å; R157-E576 IonicContact CZ-OE2 3.16Å; R157-E576 IonicContact NE-OE2 2.77Å; R157-E576 PolarHBondContact NE-OE2 3.11Å; R157-E576 IonicContact NH2-OE2 3.79Å; R157-E588 CarbonylContact O-C 3.58Å; R157-E588 VanDerWaalsContact O-CA 3.31Å; R157-E588 WeakPolarHBondContact O-CA 3.25Å; R157-F589 HydrophobicContact CB-CB 4.02Å; R157-F589 VanDerWaalsContact CD-CD1 3.47Å; R157-F589 PolarHBondContact O-N 3.04Å
158	K	90.3	Very high	91.6	Very high	122 Å²	122	55.4 Å²	55.4	53%	0.53	28%	0.279	S	S	.	.			trans	-103.7	165.4	-179.5	-61.7	-168	170.5	-174	0	111	G156 L160 K163 E588	G156-K158 PolarHBondContact O-N 2.79Å; K158-L160 PolarHBondContact O-N 3.11Å; K158-K163 WeakPolarHBondContact O-CE 3.31Å; K158-K163 PolarHBondContact O-NZ 2.93Å; K158-E588 WeakPolarHBondContact CE-OE1 3.49Å; K158-E588 HydrophobicContact CG-CG 4.06Å
159	A	93.3	Very high	91.2	Very high	28 Å²	28	55.4 Å²	55.4	23%	0.231	28%	0.279	C	S	.	.			trans	56.5	34.2	176.3	0	0	0	0	0	113.3	M154 T161 W162 K163 S587	M154-A159 HydrophobicContact SD-CB 4.09Å; A159-T161 VanDerWaalsContact C-N 3.27Å; A159-T161 PolarHBondContact O-N 3.44Å; A159-W162 HydrophobicContact CB-CB 4.14Å; A159-W162 WeakPolarHBondContact O-CB 3.36Å; A159-W162 PolarHBondContact O-N 3.09Å; A159-K163 WeakPolarHBondContact O-CG 3.48Å; A159-K163 PolarHBondContact O-N 3.37Å; A159-S587 CarbonylContact C-O 3.45Å; A159-S587 WeakPolarHBondContact CA-O 3.03Å; A159-S587 PolarHBondContact N-O 3.26Å
160	L	95.1	Very high	91.1	Very high	20 Å²	20	53.5 Å²	53.5	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	-40.4	-177.7	-62.6	177.9	0	0	0	111.6	K158 K163 Y164 V582 G583 F586 S587 Y594	K158-L160 PolarHBondContact O-N 3.11Å; L160-K163 PolarHBondContact O-N 2.83Å; L160-Y164 WeakPolarHBondContact O-CB 3.41Å; L160-Y164 PolarHBondContact O-N 3.18Å; L160-V582 HydrophobicContact CD1-CG1 4.07Å; L160-G583 WeakPolarHBondContact O-CA 3.44Å; L160-F586 WeakPolarHBondContact CB-O 3.46Å; L160-S587 PolarHBondContact N-O 2.99Å; L160-Y594 HydrophobicContact CD1-CD1 3.97Å; L160-Y594 HydrophobicContact CD1-CE1 3.87Å
161	T	95.1	Very high	90.7	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-42.7	174.1	-50.4	0	0	0	0	113.5	A159 Y164 Y165 G583 F586 N597	A159-T161 VanDerWaalsContact C-N 3.27Å; A159-T161 PolarHBondContact O-N 3.44Å; T161-Y164 PolarHBondContact O-N 3.42Å; T161-Y165 HydrophobicContact CG2-CD2 3.78Å; T161-Y165 HydrophobicContact CG2-CE2 3.66Å; T161-Y165 VanDerWaalsContact O-CD2 3.26Å; T161-Y165 WeakPolarHBondContact O-CD2 3.25Å; T161-Y165 PolarHBondContact O-N 3.38Å; T161-Y165 VanDerWaalsContact O-N 3.1Å; T161-G583 WeakPolarHBondContact CA-O 3.44Å; T161-G583 WeakPolarHBondContact CB-O 3.49Å; T161-G583 PolarHBondContact OG1-O 3.16Å; T161-G583 VanDerWaalsContact OG1-O 3.07Å; T161-F586 PolarHBondContact N-O 3.35Å; T161-F586 PolarHBondContact OG1-O 3.16Å; T161-N597 HydrophobicContact CG2-CB 4.45Å; T161-N597 WeakPolarHBondContact OG1-CB 3.45Å; T161-N597 PolarHBondContact OG1-ND2 3.21Å
162	W	95.6	Very high	90.2	Very high	85 Å²	85	54.6 Å²	54.6	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-45.5	176.4	-76.4	68.9	0	0	0	111.2	R111 V114 A115 I151 A159 Y164 Y165 A166	R111-W162 HydrophobicContact CB-CH2 4.16Å; R111-W162 HydrophobicContact CB-CZ3 3.8Å; R111-W162 HydrophobicContact CG-CZ3 3.95Å; R111-W162 WeakPolarHBondContact O-CH2 3.37Å; R111-W162 WeakPolarHBondContact O-CZ3 3.34Å; V114-W162 HydrophobicContact CB-CE3 4.2Å; V114-W162 HydrophobicContact CB-CZ3 4.35Å; V114-W162 HydrophobicContact CG1-CB 4.28Å; V114-W162 HydrophobicContact CG1-CD2 4.03Å; V114-W162 HydrophobicContact CG1-CE3 3.61Å; V114-W162 HydrophobicContact CG1-CG 4.35Å; V114-W162 HydrophobicContact CG1-CZ3 4.23Å; A115-W162 HydrophobicContact CB-CH2 3.85Å; A115-W162 HydrophobicContact CB-CZ2 3.8Å; I151-W162 HydrophobicContact CD1-CE3 4.24Å; I151-W162 HydrophobicContact CG2-CB 3.87Å; I151-W162 HydrophobicContact CG2-CE3 4.45Å; A159-W162 HydrophobicContact CB-CB 4.14Å; A159-W162 WeakPolarHBondContact O-CB 3.36Å; A159-W162 PolarHBondContact O-N 3.09Å; W162-Y164 VanDerWaalsContact C-N 3.33Å; W162-Y164 PolarHBondContact O-N 3.42Å; W162-Y165 PolarHBondContact O-N 3.49Å; W162-A166 WeakPolarHBondContact O-CB 3.35Å; W162-A166 PolarHBondContact O-N 2.84Å
163	K	94.9	Very high	89.8	Confident	39 Å²	39	53.9 Å²	53.9	17%	0.17	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-43.4	176.2	-68.8	175.7	178.4	179.5	0	111.4	L152 M154 G156 K158 A159 L160 K167	L152-K163 HydrophobicContact CD2-CB 4.35Å; L152-K163 WeakPolarHBondContact CD2-O 3.2Å; M154-K163 WeakPolarHBondContact O-CE 3.46Å; M154-K163 PolarHBondContact O-NZ 3.1Å; G156-K163 PolarHBondContact O-NZ 3.32Å; K158-K163 WeakPolarHBondContact O-CE 3.31Å; K158-K163 PolarHBondContact O-NZ 2.93Å; A159-K163 WeakPolarHBondContact O-CG 3.48Å; A159-K163 PolarHBondContact O-N 3.37Å; L160-K163 PolarHBondContact O-N 2.83Å; K163-K167 WeakPolarHBondContact O-CB 3.35Å; K163-K167 PolarHBondContact O-N 3.17Å
164	Y	92.3	Very high	89.6	Confident	17 Å²	17	51.1 Å²	51.1	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-52.5	178.6	174.4	-96.5	0	0	0	112	L160 T161 W162 K167 K168 P580 R584	L160-Y164 WeakPolarHBondContact O-CB 3.41Å; L160-Y164 PolarHBondContact O-N 3.18Å; T161-Y164 PolarHBondContact O-N 3.42Å; W162-Y164 VanDerWaalsContact C-N 3.33Å; W162-Y164 PolarHBondContact O-N 3.42Å; Y164-K167 WeakPolarHBondContact O-CB 3.38Å; Y164-K167 PolarHBondContact O-N 2.95Å; Y164-K168 HydrophobicContact CE1-CG 4.43Å; Y164-K168 WeakPolarHBondContact O-CG 3.23Å; Y164-K168 PolarHBondContact O-N 3.26Å; Y164-K168 VanDerWaalsContact O-N 3.13Å; Y164-P580 WeakPolarHBondContact CD2-O 2.89Å; Y164-R584 HydrophobicContact CD1-CB 4.12Å; Y164-R584 HydrophobicContact CE1-CB 3.77Å; Y164-R584 HydrophobicContact CE1-CG 4.04Å; Y164-R584 HydrophobicContact CE2-CB 4.22Å; Y164-R584 HydrophobicContact CG-CB 4.5Å
165	Y	91.8	Very high	89.3	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-73.2	-36.7	-178.7	-70.8	-63.9	0	0	0	112.8	F117 F121 V126 T161 W162 K167 K168 I169	F117-Y165 HydrophobicContact CB-CD1 3.56Å; F117-Y165 HydrophobicContact CB-CD2 4.14Å; F117-Y165 HydrophobicContact CB-CE1 4.03Å; F117-Y165 HydrophobicContact CB-CG 3.6Å; F117-Y165 AromaticContact CD1-CD1 3.85Å; F117-Y165 HydrophobicContact CD1-CD1 3.85Å; F117-Y165 HydrophobicContact CD1-CG 4.41Å; F117-Y165 HydrophobicContact CG-CD1 4.21Å; F117-Y165 HydrophobicContact CG-CG 4.47Å; F121-Y165 PolarHBondContact O-OH 3.36Å; V126-Y165 HydrophobicContact CG2-CD1 4.34Å; V126-Y165 HydrophobicContact CG2-CE1 4.17Å; T161-Y165 HydrophobicContact CG2-CD2 3.78Å; T161-Y165 HydrophobicContact CG2-CE2 3.66Å; T161-Y165 VanDerWaalsContact O-CD2 3.26Å; T161-Y165 WeakPolarHBondContact O-CD2 3.25Å; T161-Y165 PolarHBondContact O-N 3.38Å; T161-Y165 VanDerWaalsContact O-N 3.1Å; W162-Y165 PolarHBondContact O-N 3.49Å; Y165-K167 VanDerWaalsContact C-N 3.27Å; Y165-K167 PolarHBondContact O-N 3.1Å; Y165-K168 PolarHBondContact O-N 3.27Å; Y165-I169 WeakPolarHBondContact O-CD1 3.41Å; Y165-I169 VanDerWaalsContact O-CG1 3.28Å; Y165-I169 WeakPolarHBondContact O-CG1 3.26Å; Y165-I169 PolarHBondContact O-N 3.04Å
166	A	93.5	Very high	89.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-39.7	172.1	0	0	0	0	0	111.5	V114 L148 I151 L152 W162 I169 L170	V114-A166 HydrophobicContact CG1-CB 4.49Å; V114-A166 HydrophobicContact CG2-CB 4.19Å; L148-A166 HydrophobicContact CD2-CB 3.99Å; I151-A166 HydrophobicContact CB-CB 4.01Å; I151-A166 HydrophobicContact CD1-CB 4.44Å; I151-A166 HydrophobicContact CG2-CB 3.68Å; L152-A166 HydrophobicContact CD2-CB 4.23Å; L152-A166 HydrophobicContact CG-CB 4.41Å; W162-A166 WeakPolarHBondContact O-CB 3.35Å; W162-A166 PolarHBondContact O-N 2.84Å; A166-I169 PolarHBondContact O-N 3.25Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.49Å; A166-L170 PolarHBondContact O-N 2.87Å
167	K	90.9	Very high	89.4	Confident	106 Å²	106	44.2 Å²	44.2	46%	0.461	19%	0.193	S	C	.	.	H	α-helix	trans	-61.4	-46.1	175.3	-172.5	177.4	179.2	178.8	0	111.3	L152 K163 Y164 Y165 Y171 L209	L152-K167 HydrophobicContact CD2-CB 3.78Å; K163-K167 WeakPolarHBondContact O-CB 3.35Å; K163-K167 PolarHBondContact O-N 3.17Å; Y164-K167 WeakPolarHBondContact O-CB 3.38Å; Y164-K167 PolarHBondContact O-N 2.95Å; Y165-K167 VanDerWaalsContact C-N 3.27Å; Y165-K167 PolarHBondContact O-N 3.1Å; K167-Y171 VanDerWaalsContact O-CB 3.24Å; K167-Y171 WeakPolarHBondContact O-CB 3.47Å; K167-Y171 PolarHBondContact O-N 3.43Å; K167-L209 HydrophobicContact CD-CD1 4.06Å; K167-L209 HydrophobicContact CG-CD1 3.49Å; K167-L209 VanDerWaalsContact CG-CD1 3.49Å
168	K	85.4	Confident	89.6	Confident	62 Å²	62	39.3 Å²	39.3	27%	0.27	18%	0.175	S	C	.	.	H	α-helix	trans	-64.8	-41.9	178.6	-67.7	-68.6	-175.1	-177.4	0	112	Y164 Y165 Y172	Y164-K168 HydrophobicContact CE1-CG 4.43Å; Y164-K168 WeakPolarHBondContact O-CG 3.23Å; Y164-K168 PolarHBondContact O-N 3.26Å; Y164-K168 VanDerWaalsContact O-N 3.13Å; Y165-K168 PolarHBondContact O-N 3.27Å; K168-Y172 PolarHBondContact O-N 2.81Å
169	I	87.4	Confident	89.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.2	-48.1	177	-67.7	162.4	0	0	0	110.9	I113 V114 F117 F131 I134 F144 L148 Y165 A166 Y171 Y172 L173	I113-I169 HydrophobicContact CG2-CD1 4.04Å; V114-I169 HydrophobicContact CB-CD1 4.44Å; V114-I169 HydrophobicContact CG2-CD1 3.67Å; F117-I169 HydrophobicContact CD1-CD1 3.92Å; F117-I169 HydrophobicContact CD1-CG1 3.97Å; F117-I169 HydrophobicContact CD2-CD1 4.22Å; F117-I169 HydrophobicContact CE1-CD1 3.76Å; F117-I169 HydrophobicContact CE1-CG1 3.43Å; F117-I169 VanDerWaalsContact CE1-CG1 3.43Å; F117-I169 HydrophobicContact CE2-CD1 4.08Å; F117-I169 HydrophobicContact CE2-CG1 4.43Å; F117-I169 HydrophobicContact CG-CD1 4.14Å; F117-I169 HydrophobicContact CZ-CD1 3.85Å; F117-I169 HydrophobicContact CZ-CG1 3.7Å; F131-I169 HydrophobicContact CD1-CG1 4.37Å; F131-I169 HydrophobicContact CE1-CG1 4.03Å; I134-I169 HydrophobicContact CD1-CB 4.42Å; I134-I169 HydrophobicContact CD1-CG1 4.08Å; I134-I169 HydrophobicContact CD1-CG2 3.6Å; I134-I169 HydrophobicContact CG1-CG2 4.44Å; F144-I169 HydrophobicContact CE1-CG2 4.23Å; L148-I169 HydrophobicContact CD1-CB 4.39Å; L148-I169 HydrophobicContact CD1-CG2 3.65Å; L148-I169 HydrophobicContact CD2-CB 4.24Å; L148-I169 HydrophobicContact CD2-CG2 4.01Å; Y165-I169 WeakPolarHBondContact O-CD1 3.41Å; Y165-I169 VanDerWaalsContact O-CG1 3.28Å; Y165-I169 WeakPolarHBondContact O-CG1 3.26Å; Y165-I169 PolarHBondContact O-N 3.04Å; A166-I169 PolarHBondContact O-N 3.25Å; I169-Y171 VanDerWaalsContact C-N 3.31Å; I169-Y171 PolarHBondContact O-N 3.43Å; I169-Y172 PolarHBondContact O-N 3.13Å; I169-L173 HydrophobicContact CG2-CD1 4.01Å; I169-L173 HydrophobicContact CG2-CG 4.5Å; I169-L173 PolarHBondContact O-N 2.65Å
170	L	89.8	Confident	89.1	Confident	3 Å²	3	37 Å²	37	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-41	178.6	-176.2	62.3	0	0	0	111.6	E145 L148 V149 L152 A166 L173 R174 L209	E145-L170 HydrophobicContact CB-CD1 4.14Å; E145-L170 HydrophobicContact CG-CD1 4Å; L148-L170 HydrophobicContact CB-CB 4.26Å; L148-L170 HydrophobicContact CB-CD1 4.36Å; L148-L170 HydrophobicContact CD1-CB 4.12Å; L148-L170 HydrophobicContact CD1-CD1 4.22Å; V149-L170 HydrophobicContact CG2-CD2 3.8Å; L152-L170 HydrophobicContact CD1-CD2 3.68Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.49Å; A166-L170 PolarHBondContact O-N 2.87Å; L170-L173 PolarHBondContact O-N 3.25Å; L170-R174 HydrophobicContact CD1-CG 4.25Å; L170-R174 WeakPolarHBondContact O-CB 3.22Å; L170-R174 WeakPolarHBondContact O-CG 3.39Å; L170-R174 PolarHBondContact O-N 3.17Å; L170-R174 VanDerWaalsContact O-N 3.07Å; L170-L209 HydrophobicContact CB-CD2 4.19Å; L170-L209 HydrophobicContact CD2-CD2 3.93Å; L170-L209 HydrophobicContact CG-CD2 3.91Å
171	Y	86.6	Confident	89	Confident	53 Å²	53	39.5 Å²	39.5	21%	0.208	18%	0.178	C	C	.	.	H	α-helix	trans	-56.3	-51.4	174.3	-171.3	-76.2	0	0	0	110.8	K167 I169 Q175 P208 L209 D410	K167-Y171 VanDerWaalsContact O-CB 3.24Å; K167-Y171 WeakPolarHBondContact O-CB 3.47Å; K167-Y171 PolarHBondContact O-N 3.43Å; I169-Y171 VanDerWaalsContact C-N 3.31Å; I169-Y171 PolarHBondContact O-N 3.43Å; Y171-Q175 VanDerWaalsContact O-CB 3.26Å; Y171-Q175 WeakPolarHBondContact O-CB 3.34Å; Y171-Q175 PolarHBondContact O-N 2.83Å; Y171-P208 HydrophobicContact CD1-CG 3.93Å; Y171-P208 HydrophobicContact CD2-CG 3.35Å; Y171-P208 HydrophobicContact CE1-CG 3.85Å; Y171-P208 HydrophobicContact CE2-CG 3.24Å; Y171-P208 HydrophobicContact CG-CG 3.68Å; Y171-L209 HydrophobicContact CD2-CD1 4.04Å; Y171-L209 HydrophobicContact CD2-CG 3.95Å; Y171-D410 PolarHBondContact OH-OD2 3.45Å
172	Y	83.6	Confident	88.8	Confident	20 Å²	20	39 Å²	39	8%	0.078	18%	0.175	C	C	.	.	H	α-helix	trans	-59.5	-51.4	179.1	176.7	-101.1	0	0	0	112.3	F131 E135 K168 I169 R174 Q175 Q176	F131-Y172 HydrophobicContact CB-CD1 3.58Å; F131-Y172 HydrophobicContact CB-CE1 3.31Å; F131-Y172 HydrophobicContact CB-CE2 4.44Å; F131-Y172 HydrophobicContact CB-CG 4.26Å; F131-Y172 AromaticContact CD1-CD1 3.77Å; F131-Y172 HydrophobicContact CD1-CD1 3.77Å; F131-Y172 HydrophobicContact CD1-CE1 4.41Å; F131-Y172 AromaticContact CD1-CG 3.9Å; F131-Y172 HydrophobicContact CD1-CG 3.9Å; F131-Y172 AromaticContact CD2-CD1 3.89Å; F131-Y172 HydrophobicContact CD2-CD1 3.89Å; F131-Y172 AromaticContact CD2-CD2 3.58Å; F131-Y172 HydrophobicContact CD2-CD2 3.58Å; F131-Y172 HydrophobicContact CD2-CE1 4.05Å; F131-Y172 AromaticContact CD2-CE2 3.75Å; F131-Y172 HydrophobicContact CD2-CE2 3.75Å; F131-Y172 AromaticContact CD2-CG 3.64Å; F131-Y172 HydrophobicContact CD2-CG 3.64Å; F131-Y172 AromaticContact CD2-CZ 3.98Å; F131-Y172 HydrophobicContact CE1-CD1 4.4Å; F131-Y172 HydrophobicContact CE1-CG 4.09Å; F131-Y172 HydrophobicContact CE2-CD1 4.5Å; F131-Y172 AromaticContact CE2-CD2 3.74Å; F131-Y172 HydrophobicContact CE2-CD2 3.74Å; F131-Y172 HydrophobicContact CE2-CE2 4.29Å; F131-Y172 AromaticContact CE2-CG 3.85Å; F131-Y172 HydrophobicContact CE2-CG 3.85Å; F131-Y172 AromaticContact CG-CD1 3.48Å; F131-Y172 HydrophobicContact CG-CD1 3.48Å; F131-Y172 VanDerWaalsContact CG-CD1 3.48Å; F131-Y172 HydrophobicContact CG-CD2 4.08Å; F131-Y172 AromaticContact CG-CE1 3.7Å; F131-Y172 HydrophobicContact CG-CE1 3.7Å; F131-Y172 HydrophobicContact CG-CE2 4.26Å; F131-Y172 AromaticContact CG-CG 3.68Å; F131-Y172 HydrophobicContact CG-CG 3.68Å; F131-Y172 HydrophobicContact CZ-CD2 4.35Å; F131-Y172 HydrophobicContact CZ-CG 4.06Å; E135-Y172 PolarHBondContact OE1-OH 2.83Å; K168-Y172 PolarHBondContact O-N 2.81Å; I169-Y172 PolarHBondContact O-N 3.13Å; Y172-R174 PolarHBondContact O-N 3.1Å; Y172-Q175 PolarHBondContact O-N 2.86Å; Y172-Q176 HydrophobicContact CD1-CG 4.28Å; Y172-Q176 HydrophobicContact CD2-CG 4.25Å; Y172-Q176 HydrophobicContact CE1-CG 3.84Å; Y172-Q176 HydrophobicContact CE2-CG 3.81Å; Y172-Q176 HydrophobicContact CG-CG 4.48Å; Y172-Q176 WeakPolarHBondContact O-CG 3.23Å; Y172-Q176 PolarHBondContact O-N 2.86Å
173	L	84.5	Confident	88.4	Confident	31 Å²	31	39.5 Å²	39.5	16%	0.162	18%	0.18	C	C	.	.	H	α-helix	trans	-54.7	-50.6	-178.8	-84.6	173.3	0	0	0	112	I134 F144 L148 I169 L170 Q176 K177	I134-L173 HydrophobicContact CG2-CD1 4.14Å; I134-L173 HydrophobicContact CG2-CD2 3.23Å; I134-L173 HydrophobicContact CG2-CG 3.76Å; F144-L173 HydrophobicContact CD1-CD1 3.65Å; F144-L173 HydrophobicContact CE1-CD1 4.07Å; L148-L173 HydrophobicContact CD1-CD1 3.66Å; I169-L173 HydrophobicContact CG2-CD1 4.01Å; I169-L173 HydrophobicContact CG2-CG 4.5Å; I169-L173 PolarHBondContact O-N 2.65Å; L170-L173 PolarHBondContact O-N 3.25Å; L173-Q176 PolarHBondContact O-N 3.32Å; L173-K177 WeakPolarHBondContact O-CB 3.43Å; L173-K177 PolarHBondContact O-N 2.8Å
174	R	88.1	Confident	88.3	Confident	60 Å²	60	40.4 Å²	40.4	23%	0.226	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-43	179.8	-71.8	-175.6	175.6	178.1	0.4	111.5	E145 L170 Y172 Q176 K177 I178 P208	E145-R174 IonicContact OE2-CZ 2.8Å; E145-R174 IonicContact OE2-NE 3.59Å; E145-R174 PolarHBondContact OE2-NE 3.07Å; E145-R174 VanDerWaalsContact OE2-NE 3.13Å; E145-R174 IonicContact OE2-NH2 3.72Å; L170-R174 HydrophobicContact CD1-CG 4.25Å; L170-R174 WeakPolarHBondContact O-CB 3.22Å; L170-R174 WeakPolarHBondContact O-CG 3.39Å; L170-R174 PolarHBondContact O-N 3.17Å; L170-R174 VanDerWaalsContact O-N 3.07Å; Y172-R174 PolarHBondContact O-N 3.1Å; R174-Q176 VanDerWaalsContact C-N 3.33Å; R174-Q176 PolarHBondContact O-N 3.49Å; R174-K177 PolarHBondContact O-N 2.72Å; R174-I178 HydrophobicContact CB-CD1 4.42Å; R174-I178 WeakPolarHBondContact O-CB 3.47Å; R174-I178 WeakPolarHBondContact O-CD1 3.47Å; R174-I178 WeakPolarHBondContact O-CG1 3.41Å; R174-I178 PolarHBondContact O-N 3.16Å; R174-P208 HydrophobicContact CB-CB 3.88Å; R174-P208 WeakPolarHBondContact CD-O 3.11Å; R174-P208 PolarHBondContact NH1-O 3.2Å
175	Q	84.6	Confident	88.2	Confident	19 Å²	19	40.3 Å²	40.3	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-41.9	178.3	-167.7	179.2	33	0	0	112	Y171 Y172 L179 Y205	Y171-Q175 VanDerWaalsContact O-CB 3.26Å; Y171-Q175 WeakPolarHBondContact O-CB 3.34Å; Y171-Q175 PolarHBondContact O-N 2.83Å; Y172-Q175 PolarHBondContact O-N 2.86Å; Q175-L179 VanDerWaalsContact O-CB 3.31Å; Q175-L179 WeakPolarHBondContact O-CB 3.44Å; Q175-L179 PolarHBondContact O-N 3.46Å; Q175-Y205 HydrophobicContact CG-CD2 3.6Å; Q175-Y205 HydrophobicContact CG-CE1 4.2Å; Q175-Y205 HydrophobicContact CG-CE2 3.26Å; Q175-Y205 HydrophobicContact CG-CG 4.24Å; Q175-Y205 PolarHBondContact NE2-OH 3.35Å
176	Q	81.6	Confident	88.1	Confident	66 Å²	66	41.4 Å²	41.4	31%	0.308	20%	0.2	S	C	.	.	H	α-helix	trans	-64.7	-45.3	175.9	-71.3	-56.1	-30.5	0	0	112.4	Y172 L173 R174 I178 L179 N180	Y172-Q176 HydrophobicContact CD1-CG 4.28Å; Y172-Q176 HydrophobicContact CD2-CG 4.25Å; Y172-Q176 HydrophobicContact CE1-CG 3.84Å; Y172-Q176 HydrophobicContact CE2-CG 3.81Å; Y172-Q176 HydrophobicContact CG-CG 4.48Å; Y172-Q176 WeakPolarHBondContact O-CG 3.23Å; Y172-Q176 PolarHBondContact O-N 2.86Å; L173-Q176 PolarHBondContact O-N 3.32Å; R174-Q176 VanDerWaalsContact C-N 3.33Å; R174-Q176 PolarHBondContact O-N 3.49Å; Q176-I178 PolarHBondContact O-N 3.27Å; Q176-L179 WeakPolarHBondContact O-CB 3.46Å; Q176-L179 PolarHBondContact O-N 2.91Å; Q176-N180 PolarHBondContact O-N 2.72Å; Q176-N180 PolarHBondContact O-ND2 3.18Å
177	K	86.6	Confident	87.9	Confident	68 Å²	68	49.2 Å²	49.2	30%	0.296	24%	0.237	S	C	.	.	H	α-helix	trans	-59.4	-47	176.4	-177.9	174.3	-171.2	152.4	0	112.2	E141 E145 L173 R174 L179 N180 N181	E141-K177 IonicContact OE2-NZ 3.5Å; E141-K177 PolarHBondContact OE2-NZ 3.33Å; E145-K177 IonicContact OE1-NZ 3.8Å; E145-K177 PolarHBondContact OE1-NZ 3.01Å; L173-K177 WeakPolarHBondContact O-CB 3.43Å; L173-K177 PolarHBondContact O-N 2.8Å; R174-K177 PolarHBondContact O-N 2.72Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 2.84Å; K177-N180 PolarHBondContact O-N 2.98Å; K177-N181 VanDerWaalsContact O-CG 3.27Å; K177-N181 PolarHBondContact O-N 3.32Å; K177-N181 PolarHBondContact O-ND2 3.39Å
178	I	90.5	Very high	87.8	Confident	14 Å²	14	48.1 Å²	48.1	7%	0.072	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-42	176.3	-66	155.3	0	0	0	110.2	R174 Q176 N180 N181 L182 Y201 Q204 Y205 P208	R174-I178 HydrophobicContact CB-CD1 4.42Å; R174-I178 WeakPolarHBondContact O-CB 3.47Å; R174-I178 WeakPolarHBondContact O-CD1 3.47Å; R174-I178 WeakPolarHBondContact O-CG1 3.41Å; R174-I178 PolarHBondContact O-N 3.16Å; Q176-I178 PolarHBondContact O-N 3.27Å; I178-N180 PolarHBondContact O-N 3.16Å; I178-N181 PolarHBondContact O-N 2.8Å; I178-L182 VanDerWaalsContact O-CB 3.31Å; I178-L182 WeakPolarHBondContact O-CB 3.5Å; I178-L182 PolarHBondContact O-N 3.16Å; I178-Y201 HydrophobicContact CG2-CD1 4.33Å; I178-Y201 WeakPolarHBondContact CG2-O 3.4Å; I178-Q204 HydrophobicContact CD1-CB 3.67Å; I178-Q204 WeakPolarHBondContact CD1-O 3.37Å; I178-Q204 HydrophobicContact CG1-CB 4.03Å; I178-Q204 HydrophobicContact CG2-CB 4.14Å; I178-Y205 HydrophobicContact CG2-CD2 4.37Å; I178-P208 HydrophobicContact CD1-CB 4.24Å
179	L	86.4	Confident	87.9	Confident	14 Å²	14	49 Å²	49	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-40.8	178.6	-175.3	63.3	0	0	0	112.3	Q175 Q176 K177 L182 K183 Y205 L414 A417	Q175-L179 VanDerWaalsContact O-CB 3.31Å; Q175-L179 WeakPolarHBondContact O-CB 3.44Å; Q175-L179 PolarHBondContact O-N 3.46Å; Q176-L179 WeakPolarHBondContact O-CB 3.46Å; Q176-L179 PolarHBondContact O-N 2.91Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 2.84Å; L179-L182 PolarHBondContact O-N 3.38Å; L179-K183 WeakPolarHBondContact O-CB 3.35Å; L179-K183 VanDerWaalsContact O-CG 3.32Å; L179-K183 WeakPolarHBondContact O-CG 3.32Å; L179-K183 PolarHBondContact O-N 3.42Å; L179-Y205 HydrophobicContact CB-CD2 4.42Å; L179-Y205 HydrophobicContact CB-CE2 4.13Å; L179-Y205 HydrophobicContact CD1-CE2 4.22Å; L179-L414 HydrophobicContact CD1-CD1 4.47Å; L179-A417 HydrophobicContact CD1-CB 3.54Å; L179-A417 HydrophobicContact CD2-CB 4.07Å; L179-A417 HydrophobicContact CG-CB 4.39Å
180	N	87.9	Confident	87.4	Confident	89 Å²	89	53.9 Å²	53.9	48%	0.476	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-43.5	175.4	-71.5	-21.8	0	0	0	111.5	Q176 K177 I178 K183 A184	Q176-N180 PolarHBondContact O-N 2.72Å; Q176-N180 PolarHBondContact O-ND2 3.18Å; K177-N180 PolarHBondContact O-N 2.98Å; I178-N180 PolarHBondContact O-N 3.16Å; N180-K183 PolarHBondContact O-N 2.86Å; N180-A184 PolarHBondContact O-N 3.43Å
181	N	91.1	Very high	86.8	Confident	71 Å²	71	60 Å²	60	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-43	175.2	-66.8	-14.5	0	0	0	111.6	K177 I178 K183 A184 F185 Y201	K177-N181 VanDerWaalsContact O-CG 3.27Å; K177-N181 PolarHBondContact O-N 3.32Å; K177-N181 PolarHBondContact O-ND2 3.39Å; I178-N181 PolarHBondContact O-N 2.8Å; N181-K183 PolarHBondContact O-N 3.43Å; N181-A184 PolarHBondContact O-N 2.73Å; N181-F185 WeakPolarHBondContact O-CB 3.16Å; N181-F185 PolarHBondContact O-N 3.3Å; N181-Y201 HydrophobicContact CB-CD1 4.33Å; N181-Y201 HydrophobicContact CB-CE1 3.62Å
182	L	91.1	Very high	86.3	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-40.7	176.6	179.6	60.1	0	0	0	111.6	I178 L179 F185 L186 Y201 L385 L414 M418	I178-L182 VanDerWaalsContact O-CB 3.31Å; I178-L182 WeakPolarHBondContact O-CB 3.5Å; I178-L182 PolarHBondContact O-N 3.16Å; L179-L182 PolarHBondContact O-N 3.38Å; L182-F185 HydrophobicContact CD1-CD1 4.32Å; L182-F185 WeakPolarHBondContact O-CB 3.3Å; L182-F185 PolarHBondContact O-N 2.94Å; L182-L186 HydrophobicContact CD1-CD1 4.33Å; L182-L186 HydrophobicContact CD1-CG 4.24Å; L182-L186 HydrophobicContact CG-CD1 4.13Å; L182-L186 HydrophobicContact CG-CG 4.48Å; L182-L186 WeakPolarHBondContact O-CB 3.07Å; L182-L186 VanDerWaalsContact O-CG 3.25Å; L182-L186 WeakPolarHBondContact O-CG 3.4Å; L182-L186 PolarHBondContact O-N 3.08Å; L182-Y201 HydrophobicContact CB-CG 4.46Å; L182-Y201 HydrophobicContact CD1-CD2 4.24Å; L182-Y201 HydrophobicContact CD1-CG 4.34Å; L182-L385 HydrophobicContact CD1-CD1 4.23Å; L182-L414 HydrophobicContact CD2-CD1 3.63Å; L182-M418 HydrophobicContact CD2-CG 4.07Å; L182-M418 HydrophobicContact CD2-SD 4.01Å
183	K	88.9	Confident	85.9	Confident	96 Å²	96	65.7 Å²	65.7	42%	0.417	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-46.2	173.6	-76.8	173.3	-179.6	175	0	111.1	L179 N180 N181 F185 L186 Q187	L179-K183 WeakPolarHBondContact O-CB 3.35Å; L179-K183 VanDerWaalsContact O-CG 3.32Å; L179-K183 WeakPolarHBondContact O-CG 3.32Å; L179-K183 PolarHBondContact O-N 3.42Å; N180-K183 PolarHBondContact O-N 2.86Å; N181-K183 PolarHBondContact O-N 3.43Å; K183-F185 VanDerWaalsContact C-N 3.32Å; K183-F185 PolarHBondContact O-N 3.09Å; K183-L186 PolarHBondContact O-N 2.8Å; K183-Q187 WeakPolarHBondContact O-CG 3.47Å; K183-Q187 PolarHBondContact O-N 3.41Å
184	A	91.1	Very high	86	Confident	58 Å²	58	65.8 Å²	65.8	48%	0.479	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-39.8	176.1	0	0	0	0	0	112.2	N180 N181 Q187	N180-A184 PolarHBondContact O-N 3.43Å; N181-A184 PolarHBondContact O-N 2.73Å; A184-Q187 PolarHBondContact O-N 3.19Å
185	F	91.3	Very high	86.2	Confident	14 Å²	14	63.3 Å²	63.3	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-41.2	173.9	176.3	-85.7	0	0	0	112.1	N181 L182 K183 Q187 Q188 Y192 S194 E197 Y201 V381 L385	N181-F185 WeakPolarHBondContact O-CB 3.16Å; N181-F185 PolarHBondContact O-N 3.3Å; L182-F185 HydrophobicContact CD1-CD1 4.32Å; L182-F185 WeakPolarHBondContact O-CB 3.3Å; L182-F185 PolarHBondContact O-N 2.94Å; K183-F185 VanDerWaalsContact C-N 3.32Å; K183-F185 PolarHBondContact O-N 3.09Å; F185-Q187 PolarHBondContact O-N 3.39Å; F185-Q188 VanDerWaalsContact O-CB 3.27Å; F185-Q188 WeakPolarHBondContact O-CB 3.29Å; F185-Q188 WeakPolarHBondContact O-CG 3.31Å; F185-Q188 PolarHBondContact O-N 3.17Å; F185-Q188 VanDerWaalsContact O-N 3.11Å; F185-Y192 HydrophobicContact CD2-CE1 4.02Å; F185-Y192 HydrophobicContact CE2-CD1 4.19Å; F185-Y192 AromaticContact CE2-CE1 3.53Å; F185-Y192 HydrophobicContact CE2-CE1 3.53Å; F185-Y192 HydrophobicContact CZ-CD1 4.39Å; F185-Y192 HydrophobicContact CZ-CE1 4.13Å; F185-S194 WeakPolarHBondContact CZ-O 3.35Å; F185-E197 HydrophobicContact CD2-CG 4.02Å; F185-E197 HydrophobicContact CE2-CB 3.92Å; F185-E197 VanDerWaalsContact CE2-CD 3.5Å; F185-E197 HydrophobicContact CE2-CG 3.69Å; F185-E197 WeakPolarHBondContact CE2-OE2 3.19Å; F185-Y201 HydrophobicContact CB-CD2 4.3Å; F185-Y201 HydrophobicContact CB-CE2 3.88Å; F185-Y201 HydrophobicContact CD2-CD2 4.21Å; F185-Y201 AromaticContact CD2-CE2 3.69Å; F185-Y201 HydrophobicContact CD2-CE2 3.69Å; F185-Y201 HydrophobicContact CE2-CE2 4.4Å; F185-Y201 HydrophobicContact CG-CD2 4.13Å; F185-Y201 AromaticContact CG-CE2 3.88Å; F185-Y201 HydrophobicContact CG-CE2 3.88Å; F185-V381 HydrophobicContact CE1-CG1 3.68Å; F185-V381 HydrophobicContact CZ-CG1 3.82Å; F185-L385 HydrophobicContact CD1-CD1 4.3Å; F185-L385 HydrophobicContact CE1-CD1 3.81Å
186	L	88.9	Confident	86.6	Confident	24 Å²	24	63 Å²	63	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-70.5	-17.1	178.2	-70.6	170.3	0	0	0	113.5	L182 K183 Q188 K382 L385 M418	L182-L186 HydrophobicContact CD1-CD1 4.33Å; L182-L186 HydrophobicContact CD1-CG 4.24Å; L182-L186 HydrophobicContact CG-CD1 4.13Å; L182-L186 HydrophobicContact CG-CG 4.48Å; L182-L186 WeakPolarHBondContact O-CB 3.07Å; L182-L186 VanDerWaalsContact O-CG 3.25Å; L182-L186 WeakPolarHBondContact O-CG 3.4Å; L182-L186 PolarHBondContact O-N 3.08Å; K183-L186 PolarHBondContact O-N 2.8Å; L186-Q188 VanDerWaalsContact C-N 3.26Å; L186-K382 HydrophobicContact CD2-CG 4.05Å; L186-K382 WeakPolarHBondContact O-CE 3.44Å; L186-K382 PolarHBondContact O-NZ 3.03Å; L186-L385 HydrophobicContact CD2-CD1 4.02Å; L186-M418 HydrophobicContact CD1-CB 4.08Å; L186-M418 HydrophobicContact CD1-CE 3.93Å; L186-M418 HydrophobicContact CD1-CG 3.79Å; L186-M418 HydrophobicContact CD2-CE 4.12Å
187	Q	89.6	Confident	87.2	Confident	164 Å²	164	61.4 Å²	61.4	77%	0.766	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-5.3	172.1	-64.3	-59.6	-21	0	0	113.2	K183 A184 F185	K183-Q187 WeakPolarHBondContact O-CG 3.47Å; K183-Q187 PolarHBondContact O-N 3.41Å; A184-Q187 PolarHBondContact O-N 3.19Å; F185-Q187 PolarHBondContact O-N 3.39Å
188	Q	89.1	Confident	87.6	Confident	84 Å²	84	58.2 Å²	58.2	39%	0.393	30%	0.302	S	S	.	.	S	Bend	trans	-63.5	153.8	173.3	-62	-59	-37.4	0	0	111.1	F185 L186 Y192 K382	F185-Q188 VanDerWaalsContact O-CB 3.27Å; F185-Q188 WeakPolarHBondContact O-CB 3.29Å; F185-Q188 WeakPolarHBondContact O-CG 3.31Å; F185-Q188 PolarHBondContact O-N 3.17Å; F185-Q188 VanDerWaalsContact O-N 3.11Å; L186-Q188 VanDerWaalsContact C-N 3.26Å; Q188-Y192 HydrophobicContact CB-CD1 3.88Å; Q188-Y192 HydrophobicContact CB-CG 3.94Å; Q188-Y192 HydrophobicContact CG-CD1 4.08Å; Q188-Y192 HydrophobicContact CG-CE1 4.28Å; Q188-Y192 HydrophobicContact CG-CG 4.36Å; Q188-K382 PolarHBondContact O-NZ 2.91Å
189	P	87	Confident	87.8	Confident	80 Å²	80	57.5 Å²	57.5	52%	0.519	30%	0.298	S	S	.	.			trans	-62.6	159	179.1	-19.3	33.2	0	0	0	112.3	D191 Y192	P189-D191 VanDerWaalsContact CB-OD1 3.26Å; P189-D191 WeakPolarHBondContact CB-OD1 3.44Å; P189-D191 PolarHBondContact O-N 2.95Å; P189-Y192 VanDerWaalsContact O-CB 3.22Å; P189-Y192 WeakPolarHBondContact O-CB 3.42Å; P189-Y192 PolarHBondContact O-N 2.88Å
190	D	77.9	Confident	88.2	Confident	103 Å²	103	57 Å²	57	55%	0.551	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.6	-171.7	-77.7	-10.6	0	0	0	114.3	Y192 K382	D190-Y192 VanDerWaalsContact C-N 3.32Å; D190-K382 IonicContact OD1-NZ 3.38Å; D190-K382 PolarHBondContact OD1-NZ 2.78Å
191	D	75.8	Confident	88.6	Confident	130 Å²	130	54.6 Å²	54.6	70%	0.695	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.7	173.3	64.1	-21.3	0	0	0	113.2	P189 E193	P189-D191 VanDerWaalsContact CB-OD1 3.26Å; P189-D191 WeakPolarHBondContact CB-OD1 3.44Å; P189-D191 PolarHBondContact O-N 2.95Å; D191-E193 WeakPolarHBondContact O-CG 3.45Å; D191-E193 PolarHBondContact O-N 3.3Å
192	Y	76.8	Confident	88.7	Confident	89 Å²	89	51.3 Å²	51.3	35%	0.349	26%	0.263	S	S	.	.			trans	-72.2	106.3	174.2	-172.2	-109.6	0	0	0	111.2	F185 Q188 P189 D190 S194 E197 V381	F185-Y192 HydrophobicContact CD2-CE1 4.02Å; F185-Y192 HydrophobicContact CE2-CD1 4.19Å; F185-Y192 AromaticContact CE2-CE1 3.53Å; F185-Y192 HydrophobicContact CE2-CE1 3.53Å; F185-Y192 HydrophobicContact CZ-CD1 4.39Å; F185-Y192 HydrophobicContact CZ-CE1 4.13Å; Q188-Y192 HydrophobicContact CB-CD1 3.88Å; Q188-Y192 HydrophobicContact CB-CG 3.94Å; Q188-Y192 HydrophobicContact CG-CD1 4.08Å; Q188-Y192 HydrophobicContact CG-CE1 4.28Å; Q188-Y192 HydrophobicContact CG-CG 4.36Å; P189-Y192 VanDerWaalsContact O-CB 3.22Å; P189-Y192 WeakPolarHBondContact O-CB 3.42Å; P189-Y192 PolarHBondContact O-N 2.88Å; D190-Y192 VanDerWaalsContact C-N 3.32Å; Y192-S194 PolarHBondContact O-N 3.18Å; Y192-E197 PolarHBondContact OH-OE2 3.44Å; Y192-V381 WeakPolarHBondContact O-CG2 3.42Å
193	E	75.6	Confident	88.8	Confident	105 Å²	105	51.3 Å²	51.3	49%	0.491	26%	0.262	S	S	.	.			trans	-95.1	35	-170.2	-59.3	-160	148.8	0	0	116.1	D191 Y195 R313	D191-E193 WeakPolarHBondContact O-CG 3.45Å; D191-E193 PolarHBondContact O-N 3.3Å; E193-Y195 VanDerWaalsContact C-N 3.34Å; E193-Y195 HydrophobicContact CB-CE2 4.06Å; E193-Y195 WeakPolarHBondContact O-CD2 3.43Å; E193-Y195 PolarHBondContact O-N 3.46Å; E193-Y195 VanDerWaalsContact O-N 3.1Å; E193-R313 PolarHBondContact O-NH1 2.99Å; E193-R313 IonicContact OE2-CZ 3.15Å; E193-R313 VanDerWaalsContact OE2-CZ 3.3Å; E193-R313 IonicContact OE2-NE 3.32Å; E193-R313 IonicContact OE2-NH2 2.74Å; E193-R313 PolarHBondContact OE2-NH2 2.67Å
194	S	86.6	Confident	89	Confident	33 Å²	33	48.6 Å²	48.6	23%	0.231	25%	0.251	C	S	.	.			trans	-87.7	62.4	-178.8	-160.4	0	0	0	0	113.1	F185 Y192 L196 E197 G198	F185-S194 WeakPolarHBondContact CZ-O 3.35Å; Y192-S194 PolarHBondContact O-N 3.18Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 PolarHBondContact O-N 2.88Å; S194-E197 WeakPolarHBondContact CB-OE2 3.22Å; S194-E197 PolarHBondContact O-N 3.18Å; S194-E197 WeakPolarHBondContact OG-CB 3.35Å; S194-E197 PolarHBondContact OG-OE2 3.48Å; S194-G198 PolarHBondContact O-N 3.23Å
195	Y	92.1	Very high	88.9	Confident	8 Å²	8	46.3 Å²	46.3	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-38.9	-177.1	-62.4	-83.5	0	0	0	113.5	E193 A199 L306 L309 P321 V379 V381 V384	E193-Y195 VanDerWaalsContact C-N 3.34Å; E193-Y195 HydrophobicContact CB-CE2 4.06Å; E193-Y195 WeakPolarHBondContact O-CD2 3.43Å; E193-Y195 PolarHBondContact O-N 3.46Å; E193-Y195 VanDerWaalsContact O-N 3.1Å; Y195-A199 PolarHBondContact O-N 3.07Å; Y195-A199 VanDerWaalsContact O-N 3.08Å; Y195-L306 HydrophobicContact CD1-CD2 4.37Å; Y195-L306 HydrophobicContact CG-CD2 4.27Å; Y195-L309 HydrophobicContact CD2-CD2 3.72Å; Y195-L309 HydrophobicContact CE2-CD2 4.05Å; Y195-L309 HydrophobicContact CG-CD2 4.08Å; Y195-P321 HydrophobicContact CE1-CG 3.71Å; Y195-P321 HydrophobicContact CE2-CG 4.39Å; Y195-P321 VanDerWaalsContact OH-CG 3.32Å; Y195-P321 WeakPolarHBondContact OH-CG 3.21Å; Y195-V379 PolarHBondContact OH-O 3.12Å; Y195-V381 HydrophobicContact CD1-CB 4.26Å; Y195-V381 HydrophobicContact CD1-CG2 3.62Å; Y195-V381 HydrophobicContact CD2-CG2 4.32Å; Y195-V381 HydrophobicContact CE1-CB 4.21Å; Y195-V381 HydrophobicContact CE1-CG2 3.56Å; Y195-V381 HydrophobicContact CE2-CG2 4.25Å; Y195-V381 HydrophobicContact CG-CG2 4.01Å; Y195-V384 HydrophobicContact CD1-CB 4.13Å; Y195-V384 HydrophobicContact CD1-CG1 4.28Å; Y195-V384 HydrophobicContact CD1-CG2 3.79Å; Y195-V384 HydrophobicContact CE1-CB 4.37Å; Y195-V384 HydrophobicContact CE1-CG2 3.64Å
196	L	93.6	Very high	88.7	Confident	11 Å²	11	46.3 Å²	46.3	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-45.5	179.8	-178.8	67.3	0	0	0	111.4	S194 G198 A199 V200 L214 I217 I221 M290 T310	S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 PolarHBondContact O-N 2.88Å; L196-G198 VanDerWaalsContact C-N 3.35Å; L196-G198 PolarHBondContact O-N 3.14Å; L196-A199 WeakPolarHBondContact O-CB 3.23Å; L196-A199 PolarHBondContact O-N 2.82Å; L196-V200 HydrophobicContact CD1-CG2 4.48Å; L196-V200 HydrophobicContact CG-CG2 4.45Å; L196-V200 VanDerWaalsContact O-CG2 3.31Å; L196-V200 WeakPolarHBondContact O-CG2 3.28Å; L196-V200 PolarHBondContact O-N 3.37Å; L196-L214 HydrophobicContact CD2-CD1 4.06Å; L196-L214 HydrophobicContact CG-CD1 4.02Å; L196-I217 HydrophobicContact CD1-CG2 3.96Å; L196-I217 HydrophobicContact CD2-CG2 4.29Å; L196-I217 HydrophobicContact CG-CG2 4.48Å; L196-I221 HydrophobicContact CD1-CD1 3.92Å; L196-I221 HydrophobicContact CD2-CD1 3.68Å; L196-I221 HydrophobicContact CG-CD1 4.47Å; L196-M290 HydrophobicContact CD1-CE 4.05Å; L196-M290 HydrophobicContact CD1-CG 4.33Å; L196-T310 HydrophobicContact CD2-CG2 4.26Å
197	E	94.3	Very high	88.7	Confident	34 Å²	34	46.9 Å²	46.9	16%	0.159	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-46.2	178.4	-179.6	-177.4	-179.1	0	0	111.5	F185 Y192 S194 A199 V200 Y201 L214	F185-E197 HydrophobicContact CD2-CG 4.02Å; F185-E197 HydrophobicContact CE2-CB 3.92Å; F185-E197 VanDerWaalsContact CE2-CD 3.5Å; F185-E197 HydrophobicContact CE2-CG 3.69Å; F185-E197 WeakPolarHBondContact CE2-OE2 3.19Å; Y192-E197 PolarHBondContact OH-OE2 3.44Å; S194-E197 WeakPolarHBondContact CB-OE2 3.22Å; S194-E197 PolarHBondContact O-N 3.18Å; S194-E197 WeakPolarHBondContact OG-CB 3.35Å; S194-E197 PolarHBondContact OG-OE2 3.48Å; E197-A199 VanDerWaalsContact C-N 3.33Å; E197-A199 PolarHBondContact O-N 3.24Å; E197-V200 PolarHBondContact O-N 3.18Å; E197-V200 VanDerWaalsContact O-N 3.14Å; E197-Y201 HydrophobicContact CG-CD2 4.22Å; E197-Y201 HydrophobicContact CG-CE2 3.62Å; E197-Y201 WeakPolarHBondContact O-CD2 3.27Å; E197-Y201 PolarHBondContact O-N 3.41Å; E197-Y201 PolarHBondContact OE1-OH 3.08Å; E197-L214 HydrophobicContact CB-CD1 4.48Å; E197-L214 HydrophobicContact CB-CD2 4.06Å; E197-L214 HydrophobicContact CG-CD2 3.97Å
198	G	93.6	Very high	88.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-42.4	175	0	0	0	0	0	112.9	S194 L196 V200 Y201 I202 L385	S194-G198 PolarHBondContact O-N 3.23Å; L196-G198 VanDerWaalsContact C-N 3.35Å; L196-G198 PolarHBondContact O-N 3.14Å; G198-V200 VanDerWaalsContact C-N 3.34Å; G198-Y201 PolarHBondContact O-N 3.39Å; G198-I202 PolarHBondContact O-N 3.23Å; G198-L385 WeakPolarHBondContact O-CD2 3.25Å
199	A	95.1	Very high	88.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-39.8	174.9	0	0	0	0	0	111.9	Y195 L196 E197 Y201 I202 D203 M290 L306 M388	Y195-A199 PolarHBondContact O-N 3.07Å; Y195-A199 VanDerWaalsContact O-N 3.08Å; L196-A199 WeakPolarHBondContact O-CB 3.23Å; L196-A199 PolarHBondContact O-N 2.82Å; E197-A199 VanDerWaalsContact C-N 3.33Å; E197-A199 PolarHBondContact O-N 3.24Å; A199-Y201 VanDerWaalsContact C-N 3.35Å; A199-Y201 PolarHBondContact O-N 2.99Å; A199-I202 WeakPolarHBondContact O-CB 3.3Å; A199-I202 PolarHBondContact O-N 3.37Å; A199-D203 PolarHBondContact O-N 2.81Å; A199-M290 HydrophobicContact CB-CG 3.82Å; A199-L306 HydrophobicContact CB-CD1 3.97Å; A199-M388 HydrophobicContact CB-CE 3.76Å; A199-M388 HydrophobicContact CB-SD 3.87Å
200	V	95.6	Very high	88.7	Confident	3 Å²	3	37 Å²	37	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-35.2	177.1	172.9	0	0	0	0	112.1	L196 E197 G198 I202 D203 Q204 I212 L214 I217	L196-V200 HydrophobicContact CD1-CG2 4.48Å; L196-V200 HydrophobicContact CG-CG2 4.45Å; L196-V200 VanDerWaalsContact O-CG2 3.31Å; L196-V200 WeakPolarHBondContact O-CG2 3.28Å; L196-V200 PolarHBondContact O-N 3.37Å; E197-V200 PolarHBondContact O-N 3.18Å; E197-V200 VanDerWaalsContact O-N 3.14Å; G198-V200 VanDerWaalsContact C-N 3.34Å; V200-I202 VanDerWaalsContact C-N 3.33Å; V200-I202 PolarHBondContact O-N 2.86Å; V200-D203 WeakPolarHBondContact O-CB 3.47Å; V200-D203 PolarHBondContact O-N 3.33Å; V200-Q204 HydrophobicContact CG1-CG 4.21Å; V200-Q204 WeakPolarHBondContact O-CB 3.4Å; V200-Q204 VanDerWaalsContact O-CG 3.27Å; V200-Q204 WeakPolarHBondContact O-CG 3.43Å; V200-Q204 PolarHBondContact O-N 3.07Å; V200-I212 HydrophobicContact CG1-CG2 4.18Å; V200-L214 HydrophobicContact CB-CD1 4.3Å; V200-L214 HydrophobicContact CG1-CB 4.25Å; V200-L214 HydrophobicContact CG2-CD1 3.85Å; V200-I217 HydrophobicContact CG1-CD1 4.29Å; V200-I217 HydrophobicContact CG2-CD1 3.52Å; V200-I217 HydrophobicContact CG2-CG2 4.41Å
201	Y	94.8	Very high	89.2	Confident	39 Å²	39	39.6 Å²	39.6	15%	0.153	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-38.5	172.2	-74.4	-54.7	0	0	0	112.6	I178 N181 L182 F185 E197 G198 A199 Y205	I178-Y201 HydrophobicContact CG2-CD1 4.33Å; I178-Y201 WeakPolarHBondContact CG2-O 3.4Å; N181-Y201 HydrophobicContact CB-CD1 4.33Å; N181-Y201 HydrophobicContact CB-CE1 3.62Å; L182-Y201 HydrophobicContact CB-CG 4.46Å; L182-Y201 HydrophobicContact CD1-CD2 4.24Å; L182-Y201 HydrophobicContact CD1-CG 4.34Å; F185-Y201 HydrophobicContact CB-CD2 4.3Å; F185-Y201 HydrophobicContact CB-CE2 3.88Å; F185-Y201 HydrophobicContact CD2-CD2 4.21Å; F185-Y201 AromaticContact CD2-CE2 3.69Å; F185-Y201 HydrophobicContact CD2-CE2 3.69Å; F185-Y201 HydrophobicContact CE2-CE2 4.4Å; F185-Y201 HydrophobicContact CG-CD2 4.13Å; F185-Y201 AromaticContact CG-CE2 3.88Å; F185-Y201 HydrophobicContact CG-CE2 3.88Å; E197-Y201 HydrophobicContact CG-CD2 4.22Å; E197-Y201 HydrophobicContact CG-CE2 3.62Å; E197-Y201 WeakPolarHBondContact O-CD2 3.27Å; E197-Y201 PolarHBondContact O-N 3.41Å; E197-Y201 PolarHBondContact OE1-OH 3.08Å; G198-Y201 PolarHBondContact O-N 3.39Å; A199-Y201 VanDerWaalsContact C-N 3.35Å; A199-Y201 PolarHBondContact O-N 2.99Å; Y201-Y205 WeakPolarHBondContact O-CB 3.18Å; Y201-Y205 PolarHBondContact O-N 3.25Å
202	I	93.2	Very high	90	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-45.6	174.5	-63.6	174.3	0	0	0	110.2	G198 A199 V200 Q204 Y205 C206 L385 M388 V389 L392 L414	G198-I202 PolarHBondContact O-N 3.23Å; A199-I202 WeakPolarHBondContact O-CB 3.3Å; A199-I202 PolarHBondContact O-N 3.37Å; V200-I202 VanDerWaalsContact C-N 3.33Å; V200-I202 PolarHBondContact O-N 2.86Å; I202-Q204 PolarHBondContact O-N 2.64Å; I202-Y205 PolarHBondContact O-N 3.18Å; I202-C206 PolarHBondContact O-N 2.83Å; I202-L385 HydrophobicContact CD1-CB 4.16Å; I202-L385 HydrophobicContact CD1-CD2 3.7Å; I202-L385 HydrophobicContact CD1-CG 4.48Å; I202-L385 HydrophobicContact CG1-CD2 4.48Å; I202-M388 HydrophobicContact CD1-CB 3.65Å; I202-M388 HydrophobicContact CD1-CE 4.36Å; I202-M388 HydrophobicContact CD1-CG 4.44Å; I202-M388 HydrophobicContact CD1-SD 4.06Å; I202-V389 HydrophobicContact CD1-CG2 3.68Å; I202-V389 HydrophobicContact CG1-CG2 4.12Å; I202-L392 HydrophobicContact CG2-CD1 3.68Å; I202-L414 HydrophobicContact CG1-CD2 4.35Å; I202-L414 HydrophobicContact CG2-CD2 4.14Å
203	D	93.1	Very high	90.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-54.3	-52	175.2	-83.6	32.1	0	0	0	111.7	A199 V200 C206 N207 I212 Y289 M290 H291	A199-D203 PolarHBondContact O-N 2.81Å; V200-D203 WeakPolarHBondContact O-CB 3.47Å; V200-D203 PolarHBondContact O-N 3.33Å; D203-C206 PolarHBondContact O-N 3.21Å; D203-N207 WeakPolarHBondContact O-CB 3.48Å; D203-N207 PolarHBondContact O-N 2.87Å; D203-N207 PolarHBondContact O-ND2 2.89Å; D203-I212 HydrophobicContact CB-CD1 4.33Å; D203-I212 HydrophobicContact CB-CG2 4.33Å; D203-Y289 WeakPolarHBondContact OD1-CA 3.44Å; D203-Y289 VanDerWaalsContact OD2-C 3.25Å; D203-Y289 WeakPolarHBondContact OD2-CA 3.18Å; D203-Y289 WeakPolarHBondContact OD2-CB 3.27Å; D203-M290 PolarHBondContact OD1-N 3.13Å; D203-M290 PolarHBondContact OD2-N 3.34Å; D203-H291 IonicContact OD2-CE1 3.32Å; D203-H291 IonicContact OD2-CG 2.8Å; D203-H291 PolarHBondContact OD2-N 3.36Å; D203-H291 IonicContact OD2-ND1 3.8Å; D203-H291 PolarHBondContact OD2-ND1 3.2Å
204	Q	93.3	Very high	91.7	Very high	39 Å²	39	29.4 Å²	29.4	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-43.9	179.9	-74.2	176.1	-23.2	0	0	111	I178 V200 I202 C206 N207 P208 I212	I178-Q204 HydrophobicContact CD1-CB 3.67Å; I178-Q204 WeakPolarHBondContact CD1-O 3.37Å; I178-Q204 HydrophobicContact CG1-CB 4.03Å; I178-Q204 HydrophobicContact CG2-CB 4.14Å; V200-Q204 HydrophobicContact CG1-CG 4.21Å; V200-Q204 WeakPolarHBondContact O-CB 3.4Å; V200-Q204 VanDerWaalsContact O-CG 3.27Å; V200-Q204 WeakPolarHBondContact O-CG 3.43Å; V200-Q204 PolarHBondContact O-N 3.07Å; I202-Q204 PolarHBondContact O-N 2.64Å; Q204-C206 PolarHBondContact O-N 3.3Å; Q204-N207 CarbonylContact O-C 3.57Å; Q204-N207 PolarHBondContact O-N 3.45Å; Q204-P208 WeakPolarHBondContact O-CA 3.45Å; Q204-I212 HydrophobicContact CG-CB 3.95Å; Q204-I212 HydrophobicContact CG-CG2 3.88Å; Q204-I212 PolarHBondContact NE2-O 3.49Å
205	Y	90.5	Very high	92	Very high	10 Å²	10	35.7 Å²	35.7	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-42	-178.1	-176.4	-84.9	0	0	0	112.1	Q175 I178 L179 Y201 I202 N207 P208 L414	Q175-Y205 HydrophobicContact CG-CD2 3.6Å; Q175-Y205 HydrophobicContact CG-CE1 4.2Å; Q175-Y205 HydrophobicContact CG-CE2 3.26Å; Q175-Y205 HydrophobicContact CG-CG 4.24Å; Q175-Y205 PolarHBondContact NE2-OH 3.35Å; I178-Y205 HydrophobicContact CG2-CD2 4.37Å; L179-Y205 HydrophobicContact CB-CD2 4.42Å; L179-Y205 HydrophobicContact CB-CE2 4.13Å; L179-Y205 HydrophobicContact CD1-CE2 4.22Å; Y201-Y205 WeakPolarHBondContact O-CB 3.18Å; Y201-Y205 PolarHBondContact O-N 3.25Å; I202-Y205 PolarHBondContact O-N 3.18Å; Y205-N207 VanDerWaalsContact C-N 3.3Å; Y205-P208 WeakPolarHBondContact O-CD 3.44Å; Y205-L414 HydrophobicContact CD1-CB 3.91Å; Y205-L414 HydrophobicContact CD1-CD1 3.89Å; Y205-L414 HydrophobicContact CD1-CD2 3.79Å; Y205-L414 HydrophobicContact CD1-CG 4.07Å; Y205-L414 HydrophobicContact CD2-CD1 3.98Å; Y205-L414 HydrophobicContact CE1-CB 3.59Å; Y205-L414 HydrophobicContact CE1-CD1 4.09Å; Y205-L414 HydrophobicContact CE1-CD2 4.36Å; Y205-L414 HydrophobicContact CE1-CG 4.22Å; Y205-L414 HydrophobicContact CE2-CD1 4.14Å; Y205-L414 HydrophobicContact CG-CD1 3.82Å; Y205-L414 HydrophobicContact CG-CD2 4.22Å; Y205-L414 HydrophobicContact CG-CG 4.46Å
206	C	87.1	Confident	92.2	Very high	14 Å²	14	39.1 Å²	39.1	10%	0.095	20%	0.203	C	C	.	.	H	α-helix	trans	-76	-19.6	177.3	-68.3	0	0	0	0	113	I202 D203 Q204 Y289	I202-C206 PolarHBondContact O-N 2.83Å; D203-C206 PolarHBondContact O-N 3.21Å; Q204-C206 PolarHBondContact O-N 3.3Å; C206-Y289 HydrophobicContact CB-CE1 3.62Å; C206-Y289 VanDerWaalsContact CB-OH 3.31Å; C206-Y289 WeakPolarHBondContact CB-OH 3.3Å
207	N	87.9	Confident	92.3	Very high	36 Å²	36	38.8 Å²	38.8	19%	0.193	20%	0.202	C	C	.	.			trans	-133.6	56	-176.5	-54.7	-86.1	0	0	0	111.7	D203 Q204 Y205 L209 S210 I212 Y289	D203-N207 WeakPolarHBondContact O-CB 3.48Å; D203-N207 PolarHBondContact O-N 2.87Å; D203-N207 PolarHBondContact O-ND2 2.89Å; Q204-N207 CarbonylContact O-C 3.57Å; Q204-N207 PolarHBondContact O-N 3.45Å; Y205-N207 VanDerWaalsContact C-N 3.3Å; N207-L209 PolarHBondContact O-N 3.03Å; N207-L209 VanDerWaalsContact O-N 3.09Å; N207-S210 WeakPolarHBondContact O-CB 3.43Å; N207-S210 PolarHBondContact O-N 3.07Å; N207-I212 HydrophobicContact CB-CD1 3.8Å; N207-Y289 WeakPolarHBondContact ND2-CE2 3.49Å
208	P	88.1	Confident	92.3	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.039	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.8	-166.6	27.9	-36.4	0	0	0	113.6	Y171 R174 I178 Q204 Y205	Y171-P208 HydrophobicContact CD1-CG 3.93Å; Y171-P208 HydrophobicContact CD2-CG 3.35Å; Y171-P208 HydrophobicContact CE1-CG 3.85Å; Y171-P208 HydrophobicContact CE2-CG 3.24Å; Y171-P208 HydrophobicContact CG-CG 3.68Å; R174-P208 HydrophobicContact CB-CB 3.88Å; R174-P208 WeakPolarHBondContact CD-O 3.11Å; R174-P208 PolarHBondContact NH1-O 3.2Å; I178-P208 HydrophobicContact CD1-CB 4.24Å; Q204-P208 WeakPolarHBondContact O-CA 3.45Å; Y205-P208 WeakPolarHBondContact O-CD 3.44Å
209	L	88.6	Confident	92.4	Very high	58 Å²	58	41.8 Å²	41.8	30%	0.304	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-12.4	176.1	-59.9	179.1	0	0	0	113.2	K167 L170 Y171 N207	K167-L209 HydrophobicContact CD-CD1 4.06Å; K167-L209 HydrophobicContact CG-CD1 3.49Å; K167-L209 VanDerWaalsContact CG-CD1 3.49Å; L170-L209 HydrophobicContact CB-CD2 4.19Å; L170-L209 HydrophobicContact CD2-CD2 3.93Å; L170-L209 HydrophobicContact CG-CD2 3.91Å; Y171-L209 HydrophobicContact CD2-CD1 4.04Å; Y171-L209 HydrophobicContact CD2-CG 3.95Å; N207-L209 PolarHBondContact O-N 3.03Å; N207-L209 VanDerWaalsContact O-N 3.09Å
210	S	89.6	Confident	92.5	Very high	57 Å²	57	45.5 Å²	45.5	40%	0.399	24%	0.241	S	C	.	.	S	Bend	trans	-80.3	145.5	178.4	-60.1	0	0	0	0	110.7	N207 I212	N207-S210 WeakPolarHBondContact O-CB 3.43Å; N207-S210 PolarHBondContact O-N 3.07Å; S210-I212 PolarHBondContact O-N 3Å
211	D	87.6	Confident	92.5	Very high	158 Å²	158	45.4 Å²	45.4	85%	0.845	24%	0.24	S	C	*	.			trans	-80.4	87.2	174.4	-164.8	11.7	0	0	0	109.4
212	I	92.6	Very high	92.5	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.072	25%	0.245	C	C	.	.			trans	-115.1	114.3	-176.7	-59.7	167.5	0	0	0	108.2	V200 D203 Q204 N207 S210 I217	V200-I212 HydrophobicContact CG1-CG2 4.18Å; D203-I212 HydrophobicContact CB-CD1 4.33Å; D203-I212 HydrophobicContact CB-CG2 4.33Å; Q204-I212 HydrophobicContact CG-CB 3.95Å; Q204-I212 HydrophobicContact CG-CG2 3.88Å; Q204-I212 PolarHBondContact NE2-O 3.49Å; N207-I212 HydrophobicContact CB-CD1 3.8Å; S210-I212 PolarHBondContact O-N 3Å; I212-I217 HydrophobicContact CG2-CD1 3.89Å
213	S	92.9	Very high	92.7	Very high	35 Å²	35	48.7 Å²	48.7	25%	0.245	27%	0.266	C	S	.	.			trans	-120.5	130.7	-178.8	168.4	0	0	0	0	110.1	K215 D216 I217	S213-K215 PolarHBondContact O-N 2.92Å; S213-K215 WeakPolarHBondContact OG-CB 3.45Å; S213-K215 PolarHBondContact OG-N 3.37Å; S213-D216 VanDerWaalsContact CB-OD2 3.23Å; S213-D216 WeakPolarHBondContact CB-OD2 3.35Å; S213-D216 PolarHBondContact O-N 2.92Å; S213-D216 VanDerWaalsContact O-N 3.17Å; S213-D216 PolarHBondContact OG-N 3.44Å; S213-I217 WeakPolarHBondContact O-CG1 3.35Å; S213-I217 PolarHBondContact O-N 3.46Å
214	L	94.8	Very high	92.9	Very high	60 Å²	60	49.3 Å²	49.3	31%	0.314	27%	0.269	S	S	.	.	H	α-helix	trans	-56.2	-38.8	172.4	177.8	62	0	0	0	110.9	L196 E197 V200 D216 I217 Q218	L196-L214 HydrophobicContact CD2-CD1 4.06Å; L196-L214 HydrophobicContact CG-CD1 4.02Å; E197-L214 HydrophobicContact CB-CD1 4.48Å; E197-L214 HydrophobicContact CB-CD2 4.06Å; E197-L214 HydrophobicContact CG-CD2 3.97Å; V200-L214 HydrophobicContact CB-CD1 4.3Å; V200-L214 HydrophobicContact CG1-CB 4.25Å; V200-L214 HydrophobicContact CG2-CD1 3.85Å; L214-D216 VanDerWaalsContact C-N 3.34Å; L214-D216 PolarHBondContact O-N 3.41Å; L214-I217 PolarHBondContact O-N 3.27Å; L214-Q218 WeakPolarHBondContact O-CB 3.4Å; L214-Q218 PolarHBondContact O-N 3.45Å
215	K	94.2	Very high	93.1	Very high	166 Å²	166	48.1 Å²	48.1	72%	0.722	27%	0.265	S	S	*	.	H	α-helix	trans	-62.5	-41.1	179.2	-174.9	-176.2	176.4	-175.8	0	111.9	S213 Q218 A219	S213-K215 PolarHBondContact O-N 2.92Å; S213-K215 WeakPolarHBondContact OG-CB 3.45Å; S213-K215 PolarHBondContact OG-N 3.37Å; K215-Q218 PolarHBondContact O-N 3.27Å; K215-A219 WeakPolarHBondContact O-CB 3.31Å; K215-A219 PolarHBondContact O-N 3.39Å
216	D	94.8	Very high	93.4	Very high	80 Å²	80	54.3 Å²	54.3	43%	0.428	29%	0.294	S	S	.	.	H	α-helix	trans	-76.3	-35.3	-177.3	-60.7	-22.9	0	0	0	111.6	S213 L214 Q220	S213-D216 VanDerWaalsContact CB-OD2 3.23Å; S213-D216 WeakPolarHBondContact CB-OD2 3.35Å; S213-D216 PolarHBondContact O-N 2.92Å; S213-D216 VanDerWaalsContact O-N 3.17Å; S213-D216 PolarHBondContact OG-N 3.44Å; L214-D216 VanDerWaalsContact C-N 3.34Å; L214-D216 PolarHBondContact O-N 3.41Å; D216-Q220 WeakPolarHBondContact O-CG 3.27Å; D216-Q220 PolarHBondContact O-N 2.95Å; D216-Q220 VanDerWaalsContact O-N 3.13Å; D216-Q220 PolarHBondContact O-NE2 3.4Å
217	I	96	Very high	93.9	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-44.2	170.8	-69.4	171.8	0	0	0	110	L196 V200 I212 S213 L214 Q220 I221 H291 L294	L196-I217 HydrophobicContact CD1-CG2 3.96Å; L196-I217 HydrophobicContact CD2-CG2 4.29Å; L196-I217 HydrophobicContact CG-CG2 4.48Å; V200-I217 HydrophobicContact CG1-CD1 4.29Å; V200-I217 HydrophobicContact CG2-CD1 3.52Å; V200-I217 HydrophobicContact CG2-CG2 4.41Å; I212-I217 HydrophobicContact CG2-CD1 3.89Å; S213-I217 WeakPolarHBondContact O-CG1 3.35Å; S213-I217 PolarHBondContact O-N 3.46Å; L214-I217 PolarHBondContact O-N 3.27Å; I217-Q220 PolarHBondContact O-N 2.93Å; I217-I221 HydrophobicContact CG2-CD1 4.17Å; I217-I221 WeakPolarHBondContact O-CG1 3.45Å; I217-I221 PolarHBondContact O-N 3.24Å; I217-H291 HydrophobicContact CD1-CB 4.03Å; I217-H291 HydrophobicContact CG1-CB 4.33Å; I217-L294 HydrophobicContact CB-CD1 4.48Å; I217-L294 HydrophobicContact CG2-CD1 3.85Å
218	Q	95.1	Very high	94.3	Very high	49 Å²	49	54.8 Å²	54.8	23%	0.229	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-45.4	177.4	-171	57.8	72	0	0	111.3	L214 K215 Q220 I221 D222	L214-Q218 WeakPolarHBondContact O-CB 3.4Å; L214-Q218 PolarHBondContact O-N 3.45Å; K215-Q218 PolarHBondContact O-N 3.27Å; Q218-Q220 VanDerWaalsContact C-N 3.29Å; Q218-Q220 PolarHBondContact O-N 3.22Å; Q218-I221 CarbonylContact O-C 3.59Å; Q218-I221 WeakPolarHBondContact O-CA 3.4Å; Q218-I221 WeakPolarHBondContact O-CB 3.49Å; Q218-I221 PolarHBondContact O-N 3.39Å; Q218-D222 PolarHBondContact NE2-OD1 3.01Å; Q218-D222 PolarHBondContact O-N 3.49Å
219	A	95.3	Very high	94.7	Very high	48 Å²	48	55.6 Å²	55.6	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-60.6	-36.1	177	0	0	0	0	0	113	K215 D222 S223	K215-A219 WeakPolarHBondContact O-CB 3.31Å; K215-A219 PolarHBondContact O-N 3.39Å; A219-D222 PolarHBondContact O-N 3.29Å; A219-S223 PolarHBondContact O-N 3.32Å; A219-S223 PolarHBondContact O-OG 3.49Å
220	Q	96.8	Very high	95.1	Very high	78 Å²	78	60 Å²	60	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-40.3	173	-75.9	177	73.6	0	0	112.1	D216 I217 Q218 S223 I224 L294	D216-Q220 WeakPolarHBondContact O-CG 3.27Å; D216-Q220 PolarHBondContact O-N 2.95Å; D216-Q220 VanDerWaalsContact O-N 3.13Å; D216-Q220 PolarHBondContact O-NE2 3.4Å; I217-Q220 PolarHBondContact O-N 2.93Å; Q218-Q220 VanDerWaalsContact C-N 3.29Å; Q218-Q220 PolarHBondContact O-N 3.22Å; Q220-S223 WeakPolarHBondContact O-CB 3.28Å; Q220-S223 PolarHBondContact O-N 3.4Å; Q220-I224 WeakPolarHBondContact O-CG1 3.34Å; Q220-I224 PolarHBondContact O-N 3.31Å; Q220-L294 HydrophobicContact CB-CD1 3.98Å
221	I	96.4	Very high	95.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.6	-42.6	175.2	-68	171.6	0	0	0	110.6	L196 I217 Q218 S223 I224 V225 L294 L307 T310 I311	L196-I221 HydrophobicContact CD1-CD1 3.92Å; L196-I221 HydrophobicContact CD2-CD1 3.68Å; L196-I221 HydrophobicContact CG-CD1 4.47Å; I217-I221 HydrophobicContact CG2-CD1 4.17Å; I217-I221 WeakPolarHBondContact O-CG1 3.45Å; I217-I221 PolarHBondContact O-N 3.24Å; Q218-I221 CarbonylContact O-C 3.59Å; Q218-I221 WeakPolarHBondContact O-CA 3.4Å; Q218-I221 WeakPolarHBondContact O-CB 3.49Å; Q218-I221 PolarHBondContact O-N 3.39Å; I221-S223 PolarHBondContact O-N 3.39Å; I221-I224 CarbonylContact O-C 3.16Å; I221-I224 WeakPolarHBondContact O-CA 3.32Å; I221-I224 WeakPolarHBondContact O-CB 3.39Å; I221-I224 PolarHBondContact O-N 3.06Å; I221-V225 HydrophobicContact CG2-CG2 4.3Å; I221-V225 VanDerWaalsContact O-CG2 3.31Å; I221-V225 WeakPolarHBondContact O-CG2 3.43Å; I221-V225 PolarHBondContact O-N 3.5Å; I221-L294 HydrophobicContact CG1-CD1 4.29Å; I221-L294 HydrophobicContact CG1-CD2 4.22Å; I221-L307 HydrophobicContact CD1-CD1 4.18Å; I221-L307 HydrophobicContact CG1-CD1 3.9Å; I221-T310 HydrophobicContact CD1-CG2 4.17Å; I221-T310 HydrophobicContact CG2-CG2 4.06Å; I221-I311 HydrophobicContact CG2-CG1 3.85Å
222	D	95.4	Very high	95.8	Very high	45 Å²	45	51.1 Å²	51.1	24%	0.241	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-37.8	177.7	-61.4	-16.5	0	0	0	110.7	Q218 A219 I224 V225 E226 Q314	Q218-D222 PolarHBondContact NE2-OD1 3.01Å; Q218-D222 PolarHBondContact O-N 3.49Å; A219-D222 PolarHBondContact O-N 3.29Å; D222-I224 VanDerWaalsContact C-N 3.28Å; D222-I224 PolarHBondContact O-N 2.83Å; D222-V225 WeakPolarHBondContact O-CB 3.07Å; D222-V225 PolarHBondContact O-N 2.8Å; D222-V225 VanDerWaalsContact O-N 3.13Å; D222-E226 WeakPolarHBondContact O-CG 3.41Å; D222-E226 PolarHBondContact O-N 3.3Å; D222-Q314 PolarHBondContact OD1-NE2 2.92Å; D222-Q314 PolarHBondContact OD1-OE1 3.12Å
223	S	96.9	Very high	96	Very high	66 Å²	66	57.1 Å²	57.1	46%	0.462	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-34.4	172.7	-57.4	0	0	0	0	112.6	A219 Q220 I221 L227	A219-S223 PolarHBondContact O-N 3.32Å; A219-S223 PolarHBondContact O-OG 3.49Å; Q220-S223 WeakPolarHBondContact O-CB 3.28Å; Q220-S223 PolarHBondContact O-N 3.4Å; I221-S223 PolarHBondContact O-N 3.39Å; S223-L227 WeakPolarHBondContact O-CG 3.11Å; S223-L227 PolarHBondContact O-N 3.26Å
224	I	97.9	Very high	96	Very high	12 Å²	12	58.9 Å²	58.9	6%	0.062	31%	0.311	C	S	.	.	H	α-helix	trans	-70.6	-42.2	173.2	-61.1	170.8	0	0	0	109.9	Q220 I221 D222 E226 L227 V228 V268 L269 L273 F275 L294 I311	Q220-I224 WeakPolarHBondContact O-CG1 3.34Å; Q220-I224 PolarHBondContact O-N 3.31Å; I221-I224 CarbonylContact O-C 3.16Å; I221-I224 WeakPolarHBondContact O-CA 3.32Å; I221-I224 WeakPolarHBondContact O-CB 3.39Å; I221-I224 PolarHBondContact O-N 3.06Å; D222-I224 VanDerWaalsContact C-N 3.28Å; D222-I224 PolarHBondContact O-N 2.83Å; I224-E226 VanDerWaalsContact C-N 3.29Å; I224-E226 PolarHBondContact O-N 3.04Å; I224-L227 WeakPolarHBondContact O-CB 3.45Å; I224-L227 PolarHBondContact O-N 2.92Å; I224-V228 WeakPolarHBondContact O-CG2 3.26Å; I224-V228 PolarHBondContact O-N 3.06Å; I224-V268 HydrophobicContact CG2-CG1 4.15Å; I224-L269 HydrophobicContact CG2-CD2 3.95Å; I224-L273 HydrophobicContact CB-CD1 4.41Å; I224-L273 HydrophobicContact CD1-CD1 4.3Å; I224-L273 HydrophobicContact CG1-CD1 3.84Å; I224-L273 HydrophobicContact CG2-CD1 3.93Å; I224-F275 HydrophobicContact CD1-CE2 4.25Å; I224-F275 HydrophobicContact CD1-CZ 4.18Å; I224-L294 HydrophobicContact CD1-CD2 3.96Å; I224-I311 HydrophobicContact CB-CD1 4.39Å; I224-I311 HydrophobicContact CG2-CD1 3.75Å
225	V	96.6	Very high	95.9	Very high	15 Å²	15	60.7 Å²	60.7	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-39.9	178	174.8	0	0	0	0	110.9	I221 D222 L227 V228 C229 I311 Q314 L315	I221-V225 HydrophobicContact CG2-CG2 4.3Å; I221-V225 VanDerWaalsContact O-CG2 3.31Å; I221-V225 WeakPolarHBondContact O-CG2 3.43Å; I221-V225 PolarHBondContact O-N 3.5Å; D222-V225 WeakPolarHBondContact O-CB 3.07Å; D222-V225 PolarHBondContact O-N 2.8Å; D222-V225 VanDerWaalsContact O-N 3.13Å; V225-L227 VanDerWaalsContact C-N 3.31Å; V225-L227 PolarHBondContact O-N 2.99Å; V225-V228 PolarHBondContact O-N 3Å; V225-V228 VanDerWaalsContact O-N 3.14Å; V225-C229 WeakPolarHBondContact O-CB 3.49Å; V225-C229 PolarHBondContact O-N 3.06Å; V225-C229 PolarHBondContact O-SG 3.31Å; V225-I311 HydrophobicContact CG2-CB 4.37Å; V225-I311 HydrophobicContact CG2-CG1 4.18Å; V225-I311 HydrophobicContact CG2-CG2 3.99Å; V225-Q314 HydrophobicContact CG1-CB 4.48Å; V225-Q314 HydrophobicContact CG2-CB 4.43Å; V225-L315 HydrophobicContact CG1-CD2 3.83Å; V225-L315 HydrophobicContact CG1-CG 4.15Å
226	E	96.1	Very high	95.9	Very high	140 Å²	140	54.9 Å²	54.9	65%	0.654	30%	0.297	S	S	*	.	H	α-helix	trans	-59.1	-40	172.8	-74	-178.4	-179.1	0	0	112.7	D222 I224 C229 K230	D222-E226 WeakPolarHBondContact O-CG 3.41Å; D222-E226 PolarHBondContact O-N 3.3Å; I224-E226 VanDerWaalsContact C-N 3.29Å; I224-E226 PolarHBondContact O-N 3.04Å; E226-C229 PolarHBondContact O-N 3.47Å; E226-K230 WeakPolarHBondContact O-CB 3.45Å; E226-K230 PolarHBondContact O-N 3.08Å
227	L	97.7	Very high	95.8	Very high	60 Å²	60	55.2 Å²	55.2	31%	0.314	31%	0.306	S	S	.	.	H	α-helix	trans	-66.8	-38.3	174.7	-67.2	173.2	0	0	0	112	S223 I224 V225 K230 T231 V268 L273	S223-L227 WeakPolarHBondContact O-CG 3.11Å; S223-L227 PolarHBondContact O-N 3.26Å; I224-L227 WeakPolarHBondContact O-CB 3.45Å; I224-L227 PolarHBondContact O-N 2.92Å; V225-L227 VanDerWaalsContact C-N 3.31Å; V225-L227 PolarHBondContact O-N 2.99Å; L227-K230 PolarHBondContact O-N 3.44Å; L227-T231 PolarHBondContact O-N 3.2Å; L227-T231 PolarHBondContact O-OG1 3.46Å; L227-V268 HydrophobicContact CB-CG1 3.87Å; L227-V268 HydrophobicContact CB-CG2 4.46Å; L227-L273 HydrophobicContact CD1-CD1 4.29Å; L227-L273 HydrophobicContact CD1-CD2 4.02Å; L227-L273 HydrophobicContact CD1-CG 4.48Å
228	V	97.6	Very high	95.6	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64.3	-48	173.8	-178.7	0	0	0	0	110.3	I224 V225 K230 T231 L232 A264 M265 V268 I311 L315	I224-V228 WeakPolarHBondContact O-CG2 3.26Å; I224-V228 PolarHBondContact O-N 3.06Å; V225-V228 PolarHBondContact O-N 3Å; V225-V228 VanDerWaalsContact O-N 3.14Å; V228-K230 VanDerWaalsContact C-N 3.28Å; V228-K230 PolarHBondContact O-N 3.21Å; V228-T231 WeakPolarHBondContact O-CB 3.46Å; V228-T231 PolarHBondContact O-N 3.49Å; V228-T231 VanDerWaalsContact O-N 3.11Å; V228-L232 VanDerWaalsContact O-CB 3.32Å; V228-L232 WeakPolarHBondContact O-CB 3.22Å; V228-L232 PolarHBondContact O-N 3.28Å; V228-A264 HydrophobicContact CG1-CB 3.95Å; V228-M265 HydrophobicContact CG1-CG 3.88Å; V228-M265 HydrophobicContact CG2-CG 4.22Å; V228-V268 HydrophobicContact CG2-CB 3.86Å; V228-V268 HydrophobicContact CG2-CG1 3.96Å; V228-V268 HydrophobicContact CG2-CG2 4.02Å; V228-I311 HydrophobicContact CG2-CG2 4.38Å; V228-L315 HydrophobicContact CB-CD1 3.92Å; V228-L315 HydrophobicContact CG1-CD1 3.4Å; V228-L315 VanDerWaalsContact CG1-CD1 3.4Å
229	C	96.4	Very high	95.6	Very high	23 Å²	23	63.7 Å²	63.7	16%	0.155	34%	0.336	C	S	.	.	H	α-helix	trans	-57.1	-40.1	174.6	-77.3	0	0	0	0	112.3	V225 E226 L232 R233 L242 L315	V225-C229 WeakPolarHBondContact O-CB 3.49Å; V225-C229 PolarHBondContact O-N 3.06Å; V225-C229 PolarHBondContact O-SG 3.31Å; E226-C229 PolarHBondContact O-N 3.47Å; C229-L232 PolarHBondContact O-N 2.89Å; C229-R233 WeakPolarHBondContact O-CB 3.45Å; C229-R233 PolarHBondContact O-N 3.46Å; C229-L242 HydrophobicContact CB-CD2 3.87Å; C229-L242 VanDerWaalsContact O-CD2 3.32Å; C229-L242 WeakPolarHBondContact O-CD2 3.3Å; C229-L315 VanDerWaalsContact SG-CD2 3.5Å
230	K	96.4	Very high	95.4	Very high	151 Å²	151	63.8 Å²	63.8	66%	0.657	33%	0.332	S	S	*	.	H	α-helix	trans	-63.3	-44	175.5	-175	-178.4	179.1	-178.7	0	111.8	E226 L227 V228	E226-K230 WeakPolarHBondContact O-CB 3.45Å; E226-K230 PolarHBondContact O-N 3.08Å; L227-K230 PolarHBondContact O-N 3.44Å; V228-K230 VanDerWaalsContact C-N 3.28Å; V228-K230 PolarHBondContact O-N 3.21Å
231	T	97.2	Very high	95.1	Very high	27 Å²	27	60.2 Å²	60.2	17%	0.166	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-47.6	176.2	-59.4	0	0	0	0	110.6	L227 V228 R233 G234 I235 A264 Y267 V268	L227-T231 PolarHBondContact O-N 3.2Å; L227-T231 PolarHBondContact O-OG1 3.46Å; V228-T231 WeakPolarHBondContact O-CB 3.46Å; V228-T231 PolarHBondContact O-N 3.49Å; V228-T231 VanDerWaalsContact O-N 3.11Å; T231-R233 VanDerWaalsContact C-N 3.32Å; T231-R233 PolarHBondContact O-N 3.42Å; T231-G234 WeakPolarHBondContact O-CA 3.32Å; T231-G234 PolarHBondContact O-N 2.79Å; T231-I235 HydrophobicContact CG2-CD1 4.44Å; T231-I235 PolarHBondContact O-N 2.95Å; T231-A264 HydrophobicContact CG2-CB 4.08Å; T231-Y267 HydrophobicContact CG2-CD1 3.7Å; T231-Y267 HydrophobicContact CG2-CE1 4.22Å; T231-V268 VanDerWaalsContact OG1-CG2 3.32Å; T231-V268 WeakPolarHBondContact OG1-CG2 3.4Å
232	L	95.6	Very high	94.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-37.7	-179.6	-171.4	62.3	0	0	0	112.1	V228 C229 G234 I235 N236 H239 L242 Q260 V261 A264	V228-L232 VanDerWaalsContact O-CB 3.32Å; V228-L232 WeakPolarHBondContact O-CB 3.22Å; V228-L232 PolarHBondContact O-N 3.28Å; C229-L232 PolarHBondContact O-N 2.89Å; L232-G234 PolarHBondContact O-N 2.94Å; L232-I235 PolarHBondContact O-N 3.14Å; L232-N236 CarbonylContact O-C 3.53Å; L232-N236 PolarHBondContact O-N 2.91Å; L232-H239 HydrophobicContact CD2-CB 4.07Å; L232-H239 WeakPolarHBondContact CD2-ND1 3.37Å; L232-H239 HydrophobicContact CG-CB 4.05Å; L232-L242 HydrophobicContact CB-CD2 4.48Å; L232-L242 HydrophobicContact CD2-CD2 4.43Å; L232-Q260 HydrophobicContact CD1-CB 4.05Å; L232-V261 HydrophobicContact CD2-CG2 3.97Å; L232-A264 HydrophobicContact CB-CB 4.35Å; L232-A264 HydrophobicContact CD1-CB 4.37Å
233	R	95.4	Very high	94.3	Very high	141 Å²	141	63.9 Å²	63.9	53%	0.532	35%	0.346	S	S	.	.	H	α-helix	trans	-60.4	-30.4	174	-170.6	-179.1	-65.1	136.2	1.7	112.8	C229 T231 S237 L242	C229-R233 WeakPolarHBondContact O-CB 3.45Å; C229-R233 PolarHBondContact O-N 3.46Å; T231-R233 VanDerWaalsContact C-N 3.32Å; T231-R233 PolarHBondContact O-N 3.42Å; R233-S237 WeakPolarHBondContact O-CA 3.41Å; R233-S237 PolarHBondContact O-N 2.9Å; R233-L242 HydrophobicContact CB-CD1 4.14Å; R233-L242 HydrophobicContact CB-CD2 4.44Å; R233-L242 HydrophobicContact CG-CD1 4.31Å
234	G	93.3	Very high	93.7	Very high	71 Å²	71	63 Å²	63	73%	0.732	33%	0.334	S	S	*	.	H	α-helix	trans	-72.2	-28.4	173.5	0	0	0	0	0	113.5	T231 L232	T231-G234 WeakPolarHBondContact O-CA 3.32Å; T231-G234 PolarHBondContact O-N 2.79Å; L232-G234 PolarHBondContact O-N 2.94Å
235	I	92.8	Very high	92.5	Very high	98 Å²	98	69.1 Å²	69.1	50%	0.503	36%	0.36	S	S	.	.	H	α-helix	trans	-85	-50.6	178.1	-59.9	169.8	0	0	0	110.4	T231 L232 A264	T231-I235 HydrophobicContact CG2-CD1 4.44Å; T231-I235 PolarHBondContact O-N 2.95Å; L232-I235 PolarHBondContact O-N 3.14Å; I235-A264 HydrophobicContact CD1-CB 4.3Å
236	N	93.9	Very high	90.8	Very high	44 Å²	44	72.6 Å²	72.6	24%	0.235	39%	0.391	C	S	.	.			trans	-143.9	100.2	-178.4	-179.1	-7.3	0	0	0	109.8	L232 R238 H239 Q260	L232-N236 CarbonylContact O-C 3.53Å; L232-N236 PolarHBondContact O-N 2.91Å; N236-R238 PolarHBondContact O-N 3.31Å; N236-R238 VanDerWaalsContact O-N 3.15Å; N236-R238 PolarHBondContact OD1-N 3.04Å; N236-R238 VanDerWaalsContact OD1-N 3.15Å; N236-H239 HydrophobicContact CB-CB 4.12Å; N236-H239 WeakPolarHBondContact O-CB 3.37Å; N236-H239 PolarHBondContact O-N 3.09Å; N236-H239 PolarHBondContact OD1-N 3.44Å; N236-Q260 PolarHBondContact ND2-OE1 3.28Å
237	S	92.4	Very high	89	Confident	88 Å²	88	69.8 Å²	69.8	62%	0.615	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.4	-175.6	65.2	0	0	0	0	114.5	R233	R233-S237 WeakPolarHBondContact O-CA 3.41Å; R233-S237 PolarHBondContact O-N 2.9Å
238	R	92.3	Very high	87.4	Confident	227 Å²	227	71.6 Å²	71.6	86%	0.857	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	18.3	179.7	-63.6	-173.9	-178.9	-176	0.7	112.3	N236	N236-R238 PolarHBondContact O-N 3.31Å; N236-R238 VanDerWaalsContact O-N 3.15Å; N236-R238 PolarHBondContact OD1-N 3.04Å; N236-R238 VanDerWaalsContact OD1-N 3.15Å
239	H	94.4	Very high	85.8	Confident	3 Å²	3	76.6 Å²	76.6	1%	0.014	44%	0.441	C	S	.	.			trans	-60.8	134.7	-178.3	-164.7	-79.1	0	0	0	111.6	L232 N236 S241 L242 L257 Q260 V261	L232-H239 HydrophobicContact CD2-CB 4.07Å; L232-H239 WeakPolarHBondContact CD2-ND1 3.37Å; L232-H239 HydrophobicContact CG-CB 4.05Å; N236-H239 HydrophobicContact CB-CB 4.12Å; N236-H239 WeakPolarHBondContact O-CB 3.37Å; N236-H239 PolarHBondContact O-N 3.09Å; N236-H239 PolarHBondContact OD1-N 3.44Å; H239-S241 VanDerWaalsContact C-N 3.29Å; H239-S241 PolarHBondContact CE1-OG 3.29Å; H239-S241 WeakPolarHBondContact ND1-CB 3.41Å; H239-S241 PolarHBondContact ND1-N 3.14Å; H239-S241 VanDerWaalsContact ND1-N 3.19Å; H239-S241 PolarHBondContact ND1-OG 3.08Å; H239-S241 PolarHBondContact O-N 3.45Å; H239-L242 HydrophobicContact CB-CD1 4.18Å; H239-L242 HydrophobicContact CB-CG 4.18Å; H239-L242 WeakPolarHBondContact O-CB 3.46Å; H239-L242 WeakPolarHBondContact O-CG 3.37Å; H239-L242 PolarHBondContact O-N 3.21Å; H239-L242 VanDerWaalsContact O-N 3.08Å; H239-L257 PolarHBondContact NE2-O 2.86Å; H239-L257 VanDerWaalsContact NE2-O 3.1Å; H239-Q260 PolarHBondContact CD2-OE1 3.3Å; H239-V261 WeakPolarHBondContact CE1-CG2 3.41Å
240	P	91.7	Very high	85	Confident	50 Å²	50	77.5 Å²	77.5	33%	0.325	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-58.2	-36.6	-176.3	20.9	-33.6	0	0	0	113.6	L242 A243 F244 I252 L257	P240-L242 PolarHBondContact O-N 2.99Å; P240-A243 PolarHBondContact O-N 2.72Å; P240-F244 HydrophobicContact CB-CZ 4.39Å; P240-I252 HydrophobicContact CG-CG1 4.28Å; P240-L257 HydrophobicContact CG-CD1 3.95Å
241	S	90.7	Very high	84.4	Confident	3 Å²	3	75.9 Å²	75.9	2%	0.021	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-56.5	-23.4	177	-45.8	0	0	0	0	114.7	H239 A243 F244 I252 V261 L315	H239-S241 VanDerWaalsContact C-N 3.29Å; H239-S241 PolarHBondContact CE1-OG 3.29Å; H239-S241 WeakPolarHBondContact ND1-CB 3.41Å; H239-S241 PolarHBondContact ND1-N 3.14Å; H239-S241 VanDerWaalsContact ND1-N 3.19Å; H239-S241 PolarHBondContact ND1-OG 3.08Å; H239-S241 PolarHBondContact O-N 3.45Å; S241-A243 PolarHBondContact O-N 2.95Å; S241-F244 PolarHBondContact O-N 3.09Å; S241-I252 WeakPolarHBondContact OG-CD1 3.44Å; S241-V261 WeakPolarHBondContact OG-CG2 3.33Å; S241-L315 WeakPolarHBondContact CB-O 3.36Å; S241-L315 PolarHBondContact OG-O 3.34Å
242	L	89.8	Confident	84	Confident	45 Å²	45	75 Å²	75	24%	0.236	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-71.8	-16.5	179	-58.8	175.7	0	0	0	112.7	C229 L232 R233 H239 P240	C229-L242 HydrophobicContact CB-CD2 3.87Å; C229-L242 VanDerWaalsContact O-CD2 3.32Å; C229-L242 WeakPolarHBondContact O-CD2 3.3Å; L232-L242 HydrophobicContact CB-CD2 4.48Å; L232-L242 HydrophobicContact CD2-CD2 4.43Å; R233-L242 HydrophobicContact CB-CD1 4.14Å; R233-L242 HydrophobicContact CB-CD2 4.44Å; R233-L242 HydrophobicContact CG-CD1 4.31Å; H239-L242 HydrophobicContact CB-CD1 4.18Å; H239-L242 HydrophobicContact CB-CG 4.18Å; H239-L242 WeakPolarHBondContact O-CB 3.46Å; H239-L242 WeakPolarHBondContact O-CG 3.37Å; H239-L242 PolarHBondContact O-N 3.21Å; H239-L242 VanDerWaalsContact O-N 3.08Å; P240-L242 PolarHBondContact O-N 2.99Å
243	A	85.4	Confident	83.5	Confident	77 Å²	77	81.7 Å²	81.7	64%	0.636	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-96.7	-10.6	179	0	0	0	0	0	113.1	P240 S241 K245	P240-A243 PolarHBondContact O-N 2.72Å; S241-A243 PolarHBondContact O-N 2.95Å; A243-K245 PolarHBondContact O-N 3.48Å
244	F	84.9	Confident	83.3	Confident	48 Å²	48	80.7 Å²	80.7	21%	0.211	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-68.7	132.4	-179.7	-61.6	-16.4	0	0	0	110.2	P240 S241 S250 I252 L315	P240-F244 HydrophobicContact CB-CZ 4.39Å; S241-F244 PolarHBondContact O-N 3.09Å; F244-S250 VanDerWaalsContact CD1-CB 3.48Å; F244-I252 HydrophobicContact CE2-CG1 4.13Å; F244-I252 HydrophobicContact CZ-CG1 4.14Å; F244-L315 WeakPolarHBondContact CE2-O 3.49Å
245	K	71.3	Confident	83.1	Confident	141 Å²	141	80 Å²	80	61%	0.613	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-87.3	148.4	172.4	-64.5	-177.9	-174.1	166	0	109.9	A243 G247 E248	A243-K245 PolarHBondContact O-N 3.48Å; K245-G247 PolarHBondContact O-N 3.48Å; K245-G247 VanDerWaalsContact O-N 3.11Å; K245-E248 HydrophobicContact CB-CG 4.23Å; K245-E248 PolarHBondContact O-N 3.04Å; K245-E248 VanDerWaalsContact O-N 3.07Å
246	A	62.1	Low	83.1	Confident	88 Å²	88	81.7 Å²	81.7	73%	0.727	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	119.6	172.7	0	0	0	0	0	110.1
247	G	57.4	Low	83.1	Confident	81 Å²	81	81 Å²	81	84%	0.835	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-4.1	179.4	0	0	0	0	0	116.4	K245	K245-G247 PolarHBondContact O-N 3.48Å; K245-G247 VanDerWaalsContact O-N 3.11Å
248	E	65.6	Low	83.2	Confident	98 Å²	98	77.4 Å²	77.4	46%	0.458	43%	0.426	S	S	.	.			trans	-88.2	123.3	172.7	-72.8	177.1	179.5	0	0	110.8	K245 S250	K245-E248 HydrophobicContact CB-CG 4.23Å; K245-E248 PolarHBondContact O-N 3.04Å; K245-E248 VanDerWaalsContact O-N 3.07Å; E248-S250 PolarHBondContact O-N 3.3Å
249	S	63.3	Low	83.3	Confident	104 Å²	104	68.1 Å²	68.1	73%	0.727	40%	0.396	S	S	*	.			trans	-80.1	72.1	176.1	-128.3	0	0	0	0	110.3
250	S	78.6	Confident	83.4	Confident	42 Å²	42	70.5 Å²	70.5	29%	0.294	41%	0.408	S	S	.	.			trans	-96.8	132.3	173.9	-65.1	0	0	0	0	109.9	F244 E248 G316	F244-S250 VanDerWaalsContact CD1-CB 3.48Å; E248-S250 PolarHBondContact O-N 3.3Å; S250-G316 WeakPolarHBondContact O-CA 3.34Å
251	M	84.8	Confident	83.7	Confident	118 Å²	118	68.1 Å²	68.1	58%	0.581	39%	0.392	S	S	*	.			trans	-110.4	141.4	179.8	-62.8	-175	-174.4	0	0	110.8	P318	M251-P318 HydrophobicContact SD-CB 4.48Å
252	I	88.8	Confident	84	Confident	8 Å²	8	68 Å²	68	4%	0.041	39%	0.391	C	S	.	.			trans	-83.9	132.8	170.1	-57.6	164.4	0	0	0	107.7	P240 S241 F244 E254 L257 Q258 V261 L315 G316 V317	P240-I252 HydrophobicContact CG-CG1 4.28Å; S241-I252 WeakPolarHBondContact OG-CD1 3.44Å; F244-I252 HydrophobicContact CE2-CG1 4.13Å; F244-I252 HydrophobicContact CZ-CG1 4.14Å; I252-E254 WeakPolarHBondContact CG2-O 3.07Å; I252-L257 HydrophobicContact CG2-CB 3.64Å; I252-L257 HydrophobicContact CG2-CD1 4.31Å; I252-Q258 HydrophobicContact CB-CG 3.8Å; I252-Q258 HydrophobicContact CD1-CG 4.32Å; I252-Q258 HydrophobicContact CG2-CG 3.86Å; I252-Q258 PolarHBondContact O-NE2 3.01Å; I252-V261 HydrophobicContact CD1-CG2 3.97Å; I252-L315 WeakPolarHBondContact CD1-O 3.18Å; I252-G316 PolarHBondContact N-O 2.91Å; I252-V317 HydrophobicContact CD1-CG2 4.32Å
253	M	85.6	Confident	84.3	Confident	141 Å²	141	69.9 Å²	69.9	70%	0.695	40%	0.402	S	S	*	.			trans	-88.4	-32	177.1	-61.6	-59.7	174.9	0	0	113.1
254	E	90.1	Very high	84.9	Confident	120 Å²	120	66.3 Å²	66.3	56%	0.561	37%	0.372	S	S	*	.			trans	-81.1	124.7	-177.5	-61.5	-168.2	170.1	0	0	112.3	I252 E256 L257 Q258	I252-E254 WeakPolarHBondContact CG2-O 3.07Å; E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 PolarHBondContact O-N 3.32Å; E254-L257 HydrophobicContact CB-CB 4.25Å; E254-L257 HydrophobicContact CB-CD1 4.03Å; E254-L257 HydrophobicContact CB-CG 4.02Å; E254-L257 HydrophobicContact CG-CD1 4.44Å; E254-L257 PolarHBondContact O-N 2.91Å; E254-Q258 WeakPolarHBondContact O-CG 3.39Å; E254-Q258 PolarHBondContact O-N 3.32Å
255	I	90	Very high	85.6	Confident	55 Å²	55	64 Å²	64	28%	0.282	36%	0.362	S	S	.	.	H	α-helix	trans	-64.5	-36.3	-177.1	-64.7	166.8	0	0	0	110.8	L257 Q258 S259 W332 Q334	I255-L257 VanDerWaalsContact C-N 3.32Å; I255-L257 PolarHBondContact O-N 3.36Å; I255-Q258 PolarHBondContact O-N 3.46Å; I255-S259 WeakPolarHBondContact O-CB 3.48Å; I255-S259 PolarHBondContact O-N 3.11Å; I255-W332 HydrophobicContact CG2-CH2 4.03Å; I255-W332 HydrophobicContact CG2-CZ2 3.75Å; I255-Q334 HydrophobicContact CD1-CB 4.12Å; I255-Q334 WeakPolarHBondContact CD1-O 3.44Å; I255-Q334 HydrophobicContact CG2-CG 4.11Å
256	E	91.8	Very high	86.9	Confident	135 Å²	135	58.5 Å²	58.5	63%	0.631	34%	0.339	S	S	*	.	H	α-helix	trans	-63.6	-38.8	178.1	-64.7	78.8	-173.9	0	0	111.8	E254 S259 Q260	E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 PolarHBondContact O-N 3.32Å; E256-S259 WeakPolarHBondContact O-CB 3.5Å; E256-S259 PolarHBondContact O-N 3.34Å; E256-Q260 WeakPolarHBondContact O-CG 3.43Å; E256-Q260 PolarHBondContact O-N 3.39Å; E256-Q260 VanDerWaalsContact O-N 3.11Å
257	L	93.9	Very high	88.6	Confident	29 Å²	29	59.7 Å²	59.7	15%	0.152	33%	0.325	C	S	.	.	H	α-helix	trans	-71.2	-41.1	175.9	-65.3	-177.6	0	0	0	111	H239 P240 I252 E254 I255 S259 Q260 V261	H239-L257 PolarHBondContact NE2-O 2.86Å; H239-L257 VanDerWaalsContact NE2-O 3.1Å; P240-L257 HydrophobicContact CG-CD1 3.95Å; I252-L257 HydrophobicContact CG2-CB 3.64Å; I252-L257 HydrophobicContact CG2-CD1 4.31Å; E254-L257 HydrophobicContact CB-CB 4.25Å; E254-L257 HydrophobicContact CB-CD1 4.03Å; E254-L257 HydrophobicContact CB-CG 4.02Å; E254-L257 HydrophobicContact CG-CD1 4.44Å; E254-L257 PolarHBondContact O-N 2.91Å; I255-L257 VanDerWaalsContact C-N 3.32Å; I255-L257 PolarHBondContact O-N 3.36Å; L257-S259 VanDerWaalsContact C-N 3.29Å; L257-S259 PolarHBondContact O-N 2.83Å; L257-Q260 WeakPolarHBondContact O-CB 3.37Å; L257-Q260 PolarHBondContact O-N 3.25Å; L257-V261 PolarHBondContact O-N 3.4Å
258	Q	94.7	Very high	90.6	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-40.8	171.8	-67	-179.8	25.7	0	0	111.7	I252 E254 I255 Q260 V261 L262 V317 W332	I252-Q258 HydrophobicContact CB-CG 3.8Å; I252-Q258 HydrophobicContact CD1-CG 4.32Å; I252-Q258 HydrophobicContact CG2-CG 3.86Å; I252-Q258 PolarHBondContact O-NE2 3.01Å; E254-Q258 WeakPolarHBondContact O-CG 3.39Å; E254-Q258 PolarHBondContact O-N 3.32Å; I255-Q258 PolarHBondContact O-N 3.46Å; Q258-Q260 PolarHBondContact O-N 3.27Å; Q258-V261 WeakPolarHBondContact O-CB 3.37Å; Q258-V261 PolarHBondContact O-N 3.44Å; Q258-L262 WeakPolarHBondContact O-CG 3.35Å; Q258-L262 PolarHBondContact O-N 3.21Å; Q258-V317 HydrophobicContact CB-CG1 4.16Å; Q258-V317 HydrophobicContact CB-CG2 4.05Å; Q258-V317 HydrophobicContact CG-CG1 4.39Å; Q258-V317 HydrophobicContact CG-CG2 4.2Å; Q258-W332 HydrophobicContact CB-CZ2 3.85Å
259	S	95.1	Very high	92.1	Very high	33 Å²	33	51.2 Å²	51.2	23%	0.231	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-42.8	175.7	-164.6	0	0	0	0	112.1	I255 E256 L257 V261 L262 D263	I255-S259 WeakPolarHBondContact O-CB 3.48Å; I255-S259 PolarHBondContact O-N 3.11Å; E256-S259 WeakPolarHBondContact O-CB 3.5Å; E256-S259 PolarHBondContact O-N 3.34Å; L257-S259 VanDerWaalsContact C-N 3.29Å; L257-S259 PolarHBondContact O-N 2.83Å; S259-V261 VanDerWaalsContact C-N 3.26Å; S259-V261 PolarHBondContact O-N 2.94Å; S259-L262 PolarHBondContact O-N 3.39Å; S259-L262 VanDerWaalsContact O-N 3.14Å; S259-D263 PolarHBondContact O-N 2.76Å
260	Q	96.3	Very high	93.8	Very high	53 Å²	53	46.8 Å²	46.8	25%	0.248	23%	0.232	C	C	.	.	H	α-helix	trans	-59	-38.6	176.3	-72.2	172.5	25.9	0	0	112	L232 N236 H239 E256 L257 Q258 A264	L232-Q260 HydrophobicContact CD1-CB 4.05Å; N236-Q260 PolarHBondContact ND2-OE1 3.28Å; H239-Q260 PolarHBondContact CD2-OE1 3.3Å; E256-Q260 WeakPolarHBondContact O-CG 3.43Å; E256-Q260 PolarHBondContact O-N 3.39Å; E256-Q260 VanDerWaalsContact O-N 3.11Å; L257-Q260 WeakPolarHBondContact O-CB 3.37Å; L257-Q260 PolarHBondContact O-N 3.25Å; Q258-Q260 PolarHBondContact O-N 3.27Å; Q260-A264 WeakPolarHBondContact O-CB 3.31Å; Q260-A264 PolarHBondContact O-N 3.47Å
261	V	96.8	Very high	94.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-48.5	174.4	174.1	0	0	0	0	110.8	L232 H239 S241 I252 L257 Q258 S259 D263 A264 M265 L315 V317	L232-V261 HydrophobicContact CD2-CG2 3.97Å; H239-V261 WeakPolarHBondContact CE1-CG2 3.41Å; S241-V261 WeakPolarHBondContact OG-CG2 3.33Å; I252-V261 HydrophobicContact CD1-CG2 3.97Å; L257-V261 PolarHBondContact O-N 3.4Å; Q258-V261 WeakPolarHBondContact O-CB 3.37Å; Q258-V261 PolarHBondContact O-N 3.44Å; S259-V261 VanDerWaalsContact C-N 3.26Å; S259-V261 PolarHBondContact O-N 2.94Å; V261-D263 VanDerWaalsContact C-N 3.32Å; V261-D263 PolarHBondContact O-N 3.27Å; V261-A264 PolarHBondContact O-N 3.19Å; V261-M265 HydrophobicContact CG1-CG 4.28Å; V261-M265 HydrophobicContact CG1-SD 3.94Å; V261-M265 WeakPolarHBondContact O-CB 3.49Å; V261-M265 VanDerWaalsContact O-CG 3.28Å; V261-M265 WeakPolarHBondContact O-CG 3.23Å; V261-M265 PolarHBondContact O-N 3.28Å; V261-L315 HydrophobicContact CG1-CB 3.56Å; V261-L315 HydrophobicContact CG1-CD1 3.76Å; V261-L315 HydrophobicContact CG1-CG 4.29Å; V261-V317 HydrophobicContact CB-CG2 3.66Å; V261-V317 HydrophobicContact CG1-CG2 3.59Å; V261-V317 HydrophobicContact CG2-CG2 4.18Å
262	L	97.4	Very high	95.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-40.5	179.7	-64.9	173.7	0	0	0	112	Q258 S259 M265 N266 Y308 V317 L319 W332 I349	Q258-L262 WeakPolarHBondContact O-CG 3.35Å; Q258-L262 PolarHBondContact O-N 3.21Å; S259-L262 PolarHBondContact O-N 3.39Å; S259-L262 VanDerWaalsContact O-N 3.14Å; L262-M265 HydrophobicContact CD2-SD 4.41Å; L262-M265 WeakPolarHBondContact O-CB 3.19Å; L262-M265 PolarHBondContact O-N 2.98Å; L262-N266 WeakPolarHBondContact O-CB 3.49Å; L262-N266 VanDerWaalsContact O-CG 3.24Å; L262-N266 PolarHBondContact O-N 3.44Å; L262-N266 PolarHBondContact O-ND2 3.13Å; L262-Y308 HydrophobicContact CD2-CE1 3.7Å; L262-Y308 WeakPolarHBondContact CD2-OH 3.4Å; L262-V317 HydrophobicContact CD1-CG1 4.47Å; L262-V317 HydrophobicContact CD2-CG1 4.11Å; L262-V317 HydrophobicContact CG-CG1 4.3Å; L262-L319 HydrophobicContact CD2-CD1 4.21Å; L262-W332 HydrophobicContact CD1-CD2 3.77Å; L262-W332 HydrophobicContact CD1-CE3 3.62Å; L262-W332 HydrophobicContact CD1-CH2 3.87Å; L262-W332 HydrophobicContact CD1-CZ2 4.01Å; L262-W332 HydrophobicContact CD1-CZ3 3.66Å; L262-I349 HydrophobicContact CD1-CD1 4.02Å; L262-I349 HydrophobicContact CD2-CD1 4.06Å
263	D	97.4	Very high	95.8	Very high	85 Å²	85	47.6 Å²	47.6	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-43.7	176.4	-69	-28.6	0	0	0	111.9	S259 V261 M265 N266 Y267	S259-D263 PolarHBondContact O-N 2.76Å; V261-D263 VanDerWaalsContact C-N 3.32Å; V261-D263 PolarHBondContact O-N 3.27Å; D263-M265 VanDerWaalsContact C-N 3.34Å; D263-M265 PolarHBondContact O-N 2.88Å; D263-N266 PolarHBondContact O-N 2.97Å; D263-Y267 PolarHBondContact O-N 3.47Å
264	A	98.1	Very high	96.3	Very high	1 Å²	1	47 Å²	47	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-40.3	175.1	0	0	0	0	0	111.8	V228 T231 L232 I235 Q260 V261 V268	V228-A264 HydrophobicContact CG1-CB 3.95Å; T231-A264 HydrophobicContact CG2-CB 4.08Å; L232-A264 HydrophobicContact CB-CB 4.35Å; L232-A264 HydrophobicContact CD1-CB 4.37Å; I235-A264 HydrophobicContact CD1-CB 4.3Å; Q260-A264 WeakPolarHBondContact O-CB 3.31Å; Q260-A264 PolarHBondContact O-N 3.47Å; V261-A264 PolarHBondContact O-N 3.19Å; A264-V268 WeakPolarHBondContact O-CG2 3.4Å; A264-V268 PolarHBondContact O-N 3.27Å
265	M	98.2	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-47.7	174.2	-74	175.5	57.3	0	0	111.6	V228 V261 L262 D263 Y267 V268 L269 Y308 I311 A312 L315	V228-M265 HydrophobicContact CG1-CG 3.88Å; V228-M265 HydrophobicContact CG2-CG 4.22Å; V261-M265 HydrophobicContact CG1-CG 4.28Å; V261-M265 HydrophobicContact CG1-SD 3.94Å; V261-M265 WeakPolarHBondContact O-CB 3.49Å; V261-M265 VanDerWaalsContact O-CG 3.28Å; V261-M265 WeakPolarHBondContact O-CG 3.23Å; V261-M265 PolarHBondContact O-N 3.28Å; L262-M265 HydrophobicContact CD2-SD 4.41Å; L262-M265 WeakPolarHBondContact O-CB 3.19Å; L262-M265 PolarHBondContact O-N 2.98Å; D263-M265 VanDerWaalsContact C-N 3.34Å; D263-M265 PolarHBondContact O-N 2.88Å; M265-Y267 VanDerWaalsContact C-N 3.33Å; M265-Y267 PolarHBondContact O-N 3.45Å; M265-V268 PolarHBondContact O-N 3.5Å; M265-L269 WeakPolarHBondContact O-CB 3.45Å; M265-L269 WeakPolarHBondContact O-CG 3.46Å; M265-L269 PolarHBondContact O-N 3.31Å; M265-Y308 HydrophobicContact CE-CD1 3.69Å; M265-Y308 HydrophobicContact CE-CD2 4.03Å; M265-Y308 HydrophobicContact CE-CE1 3.59Å; M265-Y308 HydrophobicContact CE-CE2 3.94Å; M265-Y308 HydrophobicContact CE-CG 3.9Å; M265-Y308 WeakPolarHBondContact CE-O 3.4Å; M265-I311 HydrophobicContact CE-CB 3.88Å; M265-I311 HydrophobicContact CE-CG2 3.74Å; M265-I311 HydrophobicContact CG-CG2 3.96Å; M265-I311 HydrophobicContact SD-CG2 3.99Å; M265-A312 HydrophobicContact CE-CB 3.9Å; M265-A312 HydrophobicContact SD-CB 3.95Å; M265-L315 HydrophobicContact CG-CD1 4.1Å; M265-L315 HydrophobicContact SD-CD1 4.31Å
266	N	98.4	Very high	97	Very high	25 Å²	25	45 Å²	45	13%	0.134	21%	0.213	C	C	.	.	H	α-helix	trans	-58	-46.9	179	-76.7	-18.9	0	0	0	111.3	L262 D263 Y270 Y308 G355	L262-N266 WeakPolarHBondContact O-CB 3.49Å; L262-N266 VanDerWaalsContact O-CG 3.24Å; L262-N266 PolarHBondContact O-N 3.44Å; L262-N266 PolarHBondContact O-ND2 3.13Å; D263-N266 PolarHBondContact O-N 2.97Å; N266-Y270 HydrophobicContact CB-CD2 4.16Å; N266-Y270 HydrophobicContact CB-CE2 4.43Å; N266-Y270 WeakPolarHBondContact O-CB 3.43Å; N266-Y270 WeakPolarHBondContact O-CD2 3.45Å; N266-Y270 PolarHBondContact O-N 3.49Å; N266-Y270 WeakPolarHBondContact OD1-CE2 3.4Å; N266-Y308 VanDerWaalsContact OD1-CE2 3.32Å; N266-Y308 WeakPolarHBondContact OD1-CE2 3.46Å; N266-Y308 PolarHBondContact OD1-OH 2.83Å; N266-G355 WeakPolarHBondContact OD1-CA 3.49Å
267	Y	98.4	Very high	97.2	Very high	113 Å²	113	39.2 Å²	39.2	44%	0.443	19%	0.19	S	C	.	.	I	π-helix	trans	-61.8	-47.1	177	177.8	-111.8	0	0	0	112.2	T231 D263 M265 D271 Q272	T231-Y267 HydrophobicContact CG2-CD1 3.7Å; T231-Y267 HydrophobicContact CG2-CE1 4.22Å; D263-Y267 PolarHBondContact O-N 3.47Å; M265-Y267 VanDerWaalsContact C-N 3.33Å; M265-Y267 PolarHBondContact O-N 3.45Å; Y267-D271 HydrophobicContact CD2-CB 3.68Å; Y267-D271 HydrophobicContact CE2-CB 3.97Å; Y267-D271 CarbonylContact O-C 3.6Å; Y267-D271 WeakPolarHBondContact O-CA 3.44Å; Y267-D271 VanDerWaalsContact O-CB 3.27Å; Y267-D271 WeakPolarHBondContact O-CB 3.41Å; Y267-D271 PolarHBondContact O-N 3.11Å; Y267-Q272 HydrophobicContact CD1-CG 4.13Å; Y267-Q272 HydrophobicContact CE1-CG 3.8Å; Y267-Q272 PolarHBondContact O-N 3.21Å
268	V	98.6	Very high	97.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-65.9	-49.8	180	170.4	0	0	0	0	111.5	I224 L227 V228 T231 A264 M265 Q272 L273	I224-V268 HydrophobicContact CG2-CG1 4.15Å; L227-V268 HydrophobicContact CB-CG1 3.87Å; L227-V268 HydrophobicContact CB-CG2 4.46Å; V228-V268 HydrophobicContact CG2-CB 3.86Å; V228-V268 HydrophobicContact CG2-CG1 3.96Å; V228-V268 HydrophobicContact CG2-CG2 4.02Å; T231-V268 VanDerWaalsContact OG1-CG2 3.32Å; T231-V268 WeakPolarHBondContact OG1-CG2 3.4Å; A264-V268 WeakPolarHBondContact O-CG2 3.4Å; A264-V268 PolarHBondContact O-N 3.27Å; M265-V268 PolarHBondContact O-N 3.5Å; V268-Q272 WeakPolarHBondContact O-CB 2.91Å; V268-Q272 PolarHBondContact O-N 2.7Å; V268-L273 HydrophobicContact CG1-CD1 3.89Å; V268-L273 HydrophobicContact CG1-CG 4.21Å; V268-L273 WeakPolarHBondContact O-CB 3.15Å; V268-L273 WeakPolarHBondContact O-CG 3.34Å; V268-L273 PolarHBondContact O-N 3.39Å
269	L	98.5	Very high	96.8	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	22%	0.216	C	C	.	.	I	π-helix	trans	-66.2	-51.5	-176.5	-72.1	173.7	0	0	0	111.5	I224 M265 L273 K274 F275 L307 Y308 I311	I224-L269 HydrophobicContact CG2-CD2 3.95Å; M265-L269 WeakPolarHBondContact O-CB 3.45Å; M265-L269 WeakPolarHBondContact O-CG 3.46Å; M265-L269 PolarHBondContact O-N 3.31Å; L269-L273 CarbonylContact O-C 3.41Å; L269-K274 PolarHBondContact O-N 3.01Å; L269-K274 VanDerWaalsContact O-N 3.08Å; L269-F275 HydrophobicContact CD2-CD2 3.97Å; L269-F275 HydrophobicContact CD2-CE2 4.19Å; L269-F275 HydrophobicContact CD2-CG 4.45Å; L269-F275 WeakPolarHBondContact O-CB 3.32Å; L269-F275 PolarHBondContact O-N 2.65Å; L269-L307 HydrophobicContact CD2-CD2 4.31Å; L269-Y308 HydrophobicContact CD1-CD2 3.82Å; L269-Y308 HydrophobicContact CD1-CE2 4.28Å; L269-I311 HydrophobicContact CD1-CD1 4.22Å; L269-I311 HydrophobicContact CD2-CD1 3.88Å; L269-I311 HydrophobicContact CG-CD1 4.45Å
270	Y	98.3	Very high	96.4	Very high	11 Å²	11	53.5 Å²	53.5	4%	0.043	25%	0.248	C	C	.	.	I	π-helix	trans	-95.6	-34	-167.3	-52.1	-61.2	0	0	0	113.2	N266 K274 F275 M304 Y308 A351 K354	N266-Y270 HydrophobicContact CB-CD2 4.16Å; N266-Y270 HydrophobicContact CB-CE2 4.43Å; N266-Y270 WeakPolarHBondContact O-CB 3.43Å; N266-Y270 WeakPolarHBondContact O-CD2 3.45Å; N266-Y270 PolarHBondContact O-N 3.49Å; N266-Y270 WeakPolarHBondContact OD1-CE2 3.4Å; Y270-K274 WeakPolarHBondContact O-CA 3.21Å; Y270-K274 WeakPolarHBondContact O-CD 3.16Å; Y270-F275 HydrophobicContact CD1-CB 4.29Å; Y270-F275 WeakPolarHBondContact CD1-O 3.21Å; Y270-F275 HydrophobicContact CE1-CB 4.46Å; Y270-M304 HydrophobicContact CE1-CE 4.11Å; Y270-Y308 HydrophobicContact CE2-CE2 4.28Å; Y270-A351 WeakPolarHBondContact CE1-O 3.47Å; Y270-A351 WeakPolarHBondContact OH-CA 3.31Å; Y270-A351 PolarHBondContact OH-O 3.44Å; Y270-K354 HydrophobicContact CD1-CB 4.16Å; Y270-K354 HydrophobicContact CD1-CG 4.15Å; Y270-K354 HydrophobicContact CD2-CB 3.86Å; Y270-K354 VanDerWaalsContact CE2-CA 3.47Å; Y270-K354 HydrophobicContact CE2-CB 4.28Å; Y270-K354 WeakPolarHBondContact CE2-O 3.46Å; Y270-K354 HydrophobicContact CG-CB 3.82Å; Y270-K354 HydrophobicContact CG-CG 4.11Å
271	D	97.8	Very high	95.8	Very high	82 Å²	82	54.4 Å²	54.4	44%	0.439	25%	0.254	S	S	.	.	I	π-helix	trans	-96.2	-40.3	-177.7	-61.9	-52.1	0	0	0	113.2	Y267 K274	Y267-D271 HydrophobicContact CD2-CB 3.68Å; Y267-D271 HydrophobicContact CE2-CB 3.97Å; Y267-D271 CarbonylContact O-C 3.6Å; Y267-D271 WeakPolarHBondContact O-CA 3.44Å; Y267-D271 VanDerWaalsContact O-CB 3.27Å; Y267-D271 WeakPolarHBondContact O-CB 3.41Å; Y267-D271 PolarHBondContact O-N 3.11Å; D271-K274 WeakPolarHBondContact O-CD 3.37Å; D271-K274 WeakPolarHBondContact O-CE 3.36Å; D271-K274 PolarHBondContact O-NZ 2.79Å
272	Q	97.8	Very high	95.1	Very high	79 Å²	79	57.2 Å²	57.2	37%	0.369	27%	0.265	S	S	.	.	I	π-helix	trans	-84.8	-56.6	177.3	-62	-169.1	-8.6	0	0	112.2	Y267 V268	Y267-Q272 HydrophobicContact CD1-CG 4.13Å; Y267-Q272 HydrophobicContact CE1-CG 3.8Å; Y267-Q272 PolarHBondContact O-N 3.21Å; V268-Q272 WeakPolarHBondContact O-CB 2.91Å; V268-Q272 PolarHBondContact O-N 2.7Å
273	L	98	Very high	94.3	Very high	23 Å²	23	62 Å²	62	12%	0.12	28%	0.284	C	S	.	.	S	Bend	trans	-84.2	-14.5	-174.2	-62.9	179.8	0	0	0	112.7	I224 L227 V268 L269 F275 R297	I224-L273 HydrophobicContact CB-CD1 4.41Å; I224-L273 HydrophobicContact CD1-CD1 4.3Å; I224-L273 HydrophobicContact CG1-CD1 3.84Å; I224-L273 HydrophobicContact CG2-CD1 3.93Å; L227-L273 HydrophobicContact CD1-CD1 4.29Å; L227-L273 HydrophobicContact CD1-CD2 4.02Å; L227-L273 HydrophobicContact CD1-CG 4.48Å; V268-L273 HydrophobicContact CG1-CD1 3.89Å; V268-L273 HydrophobicContact CG1-CG 4.21Å; V268-L273 WeakPolarHBondContact O-CB 3.15Å; V268-L273 WeakPolarHBondContact O-CG 3.34Å; V268-L273 PolarHBondContact O-N 3.39Å; L269-L273 CarbonylContact O-C 3.41Å; L273-F275 VanDerWaalsContact C-N 3.3Å; L273-F275 HydrophobicContact CB-CD2 3.68Å; L273-F275 HydrophobicContact CB-CE2 3.81Å; L273-F275 HydrophobicContact CD1-CD2 4.45Å; L273-F275 HydrophobicContact CD1-CE2 3.97Å; L273-F275 PolarHBondContact O-N 2.85Å; L273-R297 WeakPolarHBondContact O-CD 3.26Å; L273-R297 PolarHBondContact O-NH1 3.14Å
274	K	97.8	Very high	93.7	Very high	129 Å²	129	59.7 Å²	59.7	56%	0.561	27%	0.272	S	S	*	.			trans	62	32.9	176.6	-52.7	-56.1	-168.3	-169.4	0	114.1	L269 Y270 D271	L269-K274 PolarHBondContact O-N 3.01Å; L269-K274 VanDerWaalsContact O-N 3.08Å; Y270-K274 WeakPolarHBondContact O-CA 3.21Å; Y270-K274 WeakPolarHBondContact O-CD 3.16Å; D271-K274 WeakPolarHBondContact O-CD 3.37Å; D271-K274 WeakPolarHBondContact O-CE 3.36Å; D271-K274 PolarHBondContact O-NZ 2.79Å
275	F	98.1	Very high	93.3	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.022	28%	0.278	C	S	.	.			trans	-57.6	142	166.6	-80.8	-95.9	0	0	0	110.4	I224 L269 Y270 L273 V293 L294 R297 M304 L307	I224-F275 HydrophobicContact CD1-CE2 4.25Å; I224-F275 HydrophobicContact CD1-CZ 4.18Å; L269-F275 HydrophobicContact CD2-CD2 3.97Å; L269-F275 HydrophobicContact CD2-CE2 4.19Å; L269-F275 HydrophobicContact CD2-CG 4.45Å; L269-F275 WeakPolarHBondContact O-CB 3.32Å; L269-F275 PolarHBondContact O-N 2.65Å; Y270-F275 HydrophobicContact CD1-CB 4.29Å; Y270-F275 WeakPolarHBondContact CD1-O 3.21Å; Y270-F275 HydrophobicContact CE1-CB 4.46Å; L273-F275 VanDerWaalsContact C-N 3.3Å; L273-F275 HydrophobicContact CB-CD2 3.68Å; L273-F275 HydrophobicContact CB-CE2 3.81Å; L273-F275 HydrophobicContact CD1-CD2 4.45Å; L273-F275 HydrophobicContact CD1-CE2 3.97Å; L273-F275 PolarHBondContact O-N 2.85Å; F275-V293 HydrophobicContact CE1-CG1 4.41Å; F275-V293 WeakPolarHBondContact CE1-O 3.46Å; F275-L294 HydrophobicContact CZ-CD2 4.34Å; F275-R297 VanDerWaalsContact CA-O 3.3Å; F275-R297 WeakPolarHBondContact CA-O 3.34Å; F275-R297 HydrophobicContact CD1-CB 3.91Å; F275-R297 HydrophobicContact CD1-CG 4.49Å; F275-R297 HydrophobicContact CD2-CB 4.27Å; F275-R297 HydrophobicContact CD2-CG 4.39Å; F275-R297 HydrophobicContact CE1-CB 4.03Å; F275-R297 HydrophobicContact CE1-CG 4.16Å; F275-R297 HydrophobicContact CE2-CB 4.37Å; F275-R297 HydrophobicContact CE2-CG 4.05Å; F275-R297 HydrophobicContact CG-CB 4.04Å; F275-R297 HydrophobicContact CZ-CB 4.25Å; F275-R297 HydrophobicContact CZ-CG 3.93Å; F275-M304 HydrophobicContact CB-CE 3.96Å; F275-M304 HydrophobicContact CD1-CE 4.19Å; F275-L307 HydrophobicContact CD1-CD2 3.88Å; F275-L307 HydrophobicContact CE1-CD2 3.51Å; F275-L307 HydrophobicContact CZ-CD2 3.97Å
276	K	96.4	Very high	93	Very high	128 Å²	128	63.3 Å²	63.3	56%	0.557	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.3	148.8	177.7	64.3	-177.5	-180	-179.1	0	112.7	N278 R297 T298 G299	K276-N278 PolarHBondContact O-N 3.38Å; K276-R297 PolarHBondContact N-O 3.31Å; K276-T298 HydrophobicContact CG-CG2 3.95Å; K276-T298 VanDerWaalsContact O-CA 3.3Å; K276-T298 WeakPolarHBondContact O-CA 3.27Å; K276-G299 PolarHBondContact O-N 3.1Å
277	G	94.4	Very high	92.7	Very high	13 Å²	13	62.1 Å²	62.1	13%	0.134	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	130.6	166.2	0	0	0	0	0	112	R279 G299	G277-R279 PolarHBondContact O-N 3.18Å; G277-R279 VanDerWaalsContact O-N 3.12Å; G277-G299 WeakPolarHBondContact CA-O 3.26Å
278	N	91.9	Very high	92.4	Very high	21 Å²	21	56.8 Å²	56.8	11%	0.112	27%	0.266	C	S	.	.			trans	-81.5	90.1	177.9	-166.3	-7.3	0	0	0	110.7	K276 D281 Y282 N287 G299	K276-N278 PolarHBondContact O-N 3.38Å; N278-D281 PolarHBondContact ND2-O 3.37Å; N278-D281 VanDerWaalsContact ND2-O 3.12Å; N278-D281 PolarHBondContact OD1-N 2.53Å; N278-Y282 WeakPolarHBondContact O-CA 3.18Å; N278-Y282 WeakPolarHBondContact O-CB 3.33Å; N278-Y282 PolarHBondContact O-N 2.9Å; N278-N287 PolarHBondContact ND2-ND2 3.44Å; N278-N287 PolarHBondContact ND2-OD1 2.9Å; N278-G299 PolarHBondContact N-O 2.99Å
279	R	89.1	Confident	92.3	Very high	170 Å²	170	57.3 Å²	57.3	64%	0.642	27%	0.267	S	S	*	.	S	Bend	trans	-82	-28.1	179.5	-62.9	179.1	-173.9	-92.7	-1.6	113.2	G277 F352	G277-R279 PolarHBondContact O-N 3.18Å; G277-R279 VanDerWaalsContact O-N 3.12Å; R279-F352 HydrophobicContact CG-CE1 3.96Å; R279-F352 HydrophobicContact CG-CZ 3.79Å; R279-F352 VanDerWaalsContact CZ-CE1 3.46Å
280	M	86.1	Confident	92.2	Very high	184 Å²	184	57.2 Å²	57.2	91%	0.906	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-41.5	-177.1	-66.7	-56.9	-61.6	0	0	111.8
281	D	83.9	Confident	92	Very high	71 Å²	71	57.7 Å²	57.7	38%	0.38	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	55.1	-178.1	-177.8	26.4	0	0	0	108.9	N278 Y283 N284 N287	N278-D281 PolarHBondContact ND2-O 3.37Å; N278-D281 VanDerWaalsContact ND2-O 3.12Å; N278-D281 PolarHBondContact OD1-N 2.53Å; D281-Y283 PolarHBondContact O-N 3.33Å; D281-N284 PolarHBondContact O-N 2.84Å; D281-N284 WeakPolarHBondContact OD2-CB 3.32Å; D281-N284 PolarHBondContact OD2-ND2 3.4Å; D281-N287 PolarHBondContact O-ND2 3.32Å
282	Y	82.3	Confident	92	Very high	59 Å²	59	55.8 Å²	55.8	23%	0.231	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.2	-175	-176.5	-88.5	0	0	0	112.2	N278 N284 N287 I300 P301 F352	N278-Y282 WeakPolarHBondContact O-CA 3.18Å; N278-Y282 WeakPolarHBondContact O-CB 3.33Å; N278-Y282 PolarHBondContact O-N 2.9Å; Y282-N284 VanDerWaalsContact C-N 3.26Å; Y282-N284 PolarHBondContact O-N 2.97Å; Y282-N287 PolarHBondContact O-ND2 2.94Å; Y282-I300 HydrophobicContact CD2-CG2 4.16Å; Y282-I300 HydrophobicContact CE2-CB 4.2Å; Y282-I300 HydrophobicContact CE2-CG2 4.05Å; Y282-I300 HydrophobicContact CG-CG2 4.46Å; Y282-I300 WeakPolarHBondContact O-CG2 3.33Å; Y282-P301 HydrophobicContact CE2-CG 4.38Å; Y282-P301 WeakPolarHBondContact OH-CD 3.3Å; Y282-F352 HydrophobicContact CD2-CE2 4.45Å; Y282-F352 HydrophobicContact CD2-CZ 4.25Å; Y282-F352 HydrophobicContact CE2-CE2 4.32Å; Y282-F352 HydrophobicContact CE2-CZ 4.26Å
283	Y	80.7	Confident	92	Very high	102 Å²	102	52 Å²	52	40%	0.4	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	14.7	-172.7	-61	-66.5	0	0	0	114.2	D281 L395 R398	D281-Y283 PolarHBondContact O-N 3.33Å; Y283-L395 VanDerWaalsContact CA-CD2 3.49Å; Y283-L395 HydrophobicContact CD1-CD2 3.53Å; Y283-L395 HydrophobicContact CG-CD2 4.13Å; Y283-L395 WeakPolarHBondContact O-CD1 3.19Å; Y283-L395 WeakPolarHBondContact O-CD2 3.09Å; Y283-R398 VanDerWaalsContact CZ-CZ 3.46Å; Y283-R398 PolarHBondContact OH-NH1 2.84Å; Y283-R398 PolarHBondContact OH-NH2 3.22Å
284	N	85.6	Confident	91.9	Very high	36 Å²	36	51.4 Å²	51.4	19%	0.193	24%	0.237	C	C	.	.			trans	-82	124.8	174.4	-173.7	-27.4	0	0	0	111.9	D281 Y282 L286 N287	D281-N284 PolarHBondContact O-N 2.84Å; D281-N284 WeakPolarHBondContact OD2-CB 3.32Å; D281-N284 PolarHBondContact OD2-ND2 3.4Å; Y282-N284 VanDerWaalsContact C-N 3.26Å; Y282-N284 PolarHBondContact O-N 2.97Å; N284-L286 PolarHBondContact O-N 3.12Å; N284-L286 VanDerWaalsContact OD1-CB 3.23Å; N284-L286 WeakPolarHBondContact OD1-CB 3.47Å; N284-L286 VanDerWaalsContact OD1-CG 3.25Å; N284-L286 WeakPolarHBondContact OD1-CG 3.37Å; N284-L286 PolarHBondContact OD1-N 3.41Å; N284-N287 VanDerWaalsContact O-CB 3.3Å; N284-N287 WeakPolarHBondContact O-CB 3.48Å; N284-N287 PolarHBondContact O-N 3.2Å; N284-N287 PolarHBondContact O-ND2 2.91Å
285	A	88.3	Confident	91.8	Very high	16 Å²	16	50.6 Å²	50.6	13%	0.132	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-58.2	-29.8	179.6	0	0	0	0	0	113.2	N287 L288 Y289 L392 L395 L407	A285-N287 PolarHBondContact O-N 2.94Å; A285-N287 VanDerWaalsContact O-N 3.08Å; A285-L288 WeakPolarHBondContact O-CB 3.37Å; A285-L288 PolarHBondContact O-N 2.84Å; A285-Y289 HydrophobicContact CB-CE2 4.05Å; A285-L392 HydrophobicContact CB-CD2 4.24Å; A285-L395 HydrophobicContact CB-CD1 4.15Å; A285-L407 HydrophobicContact CB-CD1 4.31Å; A285-L407 HydrophobicContact CB-CD2 3.95Å
286	L	91.9	Very high	91.7	Very high	60 Å²	60	54 Å²	54	31%	0.314	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62.9	-16.4	176.1	-56.2	177.8	0	0	0	113.1	N284 L288 Y289 Q292 R296	N284-L286 PolarHBondContact O-N 3.12Å; N284-L286 VanDerWaalsContact OD1-CB 3.23Å; N284-L286 WeakPolarHBondContact OD1-CB 3.47Å; N284-L286 VanDerWaalsContact OD1-CG 3.25Å; N284-L286 WeakPolarHBondContact OD1-CG 3.37Å; N284-L286 PolarHBondContact OD1-N 3.41Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L286-Y289 HydrophobicContact CD2-CD2 4.19Å; L286-Y289 HydrophobicContact CD2-CE2 4.44Å; L286-Q292 HydrophobicContact CB-CB 4.25Å; L286-Q292 HydrophobicContact CB-CG 4.31Å; L286-Q292 HydrophobicContact CD2-CG 3.9Å; L286-Q292 WeakPolarHBondContact O-CB 3.11Å; L286-R296 VanDerWaalsContact CB-NH1 3.32Å; L286-R296 PolarHBondContact O-NH1 2.88Å
287	N	92.6	Very high	91.8	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-79.7	-12.2	174.4	-59.7	-30.9	0	0	0	112.8	N278 D281 Y282 N284 A285 V293 R296 G299 I300 S303	N278-N287 PolarHBondContact ND2-ND2 3.44Å; N278-N287 PolarHBondContact ND2-OD1 2.9Å; D281-N287 PolarHBondContact O-ND2 3.32Å; Y282-N287 PolarHBondContact O-ND2 2.94Å; N284-N287 VanDerWaalsContact O-CB 3.3Å; N284-N287 WeakPolarHBondContact O-CB 3.48Å; N284-N287 PolarHBondContact O-N 3.2Å; N284-N287 PolarHBondContact O-ND2 2.91Å; A285-N287 PolarHBondContact O-N 2.94Å; A285-N287 VanDerWaalsContact O-N 3.08Å; N287-V293 WeakPolarHBondContact O-CG2 3.44Å; N287-R296 PolarHBondContact OD1-NH1 3.2Å; N287-G299 WeakPolarHBondContact O-CA 3.46Å; N287-I300 HydrophobicContact CB-CG2 3.66Å; N287-I300 PolarHBondContact O-N 2.65Å; N287-S303 WeakPolarHBondContact O-CB 3.38Å; N287-S303 PolarHBondContact O-OG 2.98Å
288	L	93.2	Very high	91.9	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-31.7	176.5	-87.4	156	0	0	0	112	A285 L286 M290 I300 I302 N391 L392 L395	A285-L288 WeakPolarHBondContact O-CB 3.37Å; A285-L288 PolarHBondContact O-N 2.84Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L288-M290 PolarHBondContact O-N 2.89Å; L288-I300 HydrophobicContact CD1-CD1 4.01Å; L288-I300 HydrophobicContact CD2-CD1 3.44Å; L288-I300 VanDerWaalsContact CD2-CD1 3.44Å; L288-I300 HydrophobicContact CD2-CG1 3.96Å; L288-I300 HydrophobicContact CG-CD1 3.53Å; L288-I300 HydrophobicContact CG-CG1 4Å; L288-I302 HydrophobicContact CD2-CG2 3.64Å; L288-N391 HydrophobicContact CD1-CB 3.87Å; L288-N391 HydrophobicContact CD2-CB 4.13Å; L288-L392 HydrophobicContact CB-CD2 4.11Å; L288-L392 HydrophobicContact CD1-CD2 3.48Å; L288-L392 VanDerWaalsContact CD1-CD2 3.48Å; L288-L392 HydrophobicContact CD1-CG 3.8Å; L288-L392 HydrophobicContact CG-CD2 4.39Å; L288-L395 HydrophobicContact CD1-CD1 3.81Å
289	Y	95	Very high	92.1	Very high	10 Å²	10	52.1 Å²	52.1	4%	0.039	24%	0.236	C	C	.	.			trans	-76.3	119.8	-174.6	-53.6	-44.3	0	0	0	111.8	D203 C206 N207 A285 L286 H291 Q292 V293 L392	D203-Y289 WeakPolarHBondContact OD1-CA 3.44Å; D203-Y289 VanDerWaalsContact OD2-C 3.25Å; D203-Y289 WeakPolarHBondContact OD2-CA 3.18Å; D203-Y289 WeakPolarHBondContact OD2-CB 3.27Å; C206-Y289 HydrophobicContact CB-CE1 3.62Å; C206-Y289 VanDerWaalsContact CB-OH 3.31Å; C206-Y289 WeakPolarHBondContact CB-OH 3.3Å; N207-Y289 WeakPolarHBondContact ND2-CE2 3.49Å; A285-Y289 HydrophobicContact CB-CE2 4.05Å; L286-Y289 HydrophobicContact CD2-CD2 4.19Å; L286-Y289 HydrophobicContact CD2-CE2 4.44Å; Y289-H291 VanDerWaalsContact C-N 3.3Å; Y289-H291 PolarHBondContact O-N 3.42Å; Y289-Q292 HydrophobicContact CD2-CG 4.44Å; Y289-Q292 CarbonylContact O-C 3.48Å; Y289-Q292 WeakPolarHBondContact O-CB 3.49Å; Y289-Q292 PolarHBondContact O-N 3.44Å; Y289-V293 WeakPolarHBondContact O-CG2 3.21Å; Y289-V293 PolarHBondContact O-N 3.37Å; Y289-L392 HydrophobicContact CE1-CD1 4.3Å; Y289-L392 HydrophobicContact CE1-CD2 3.97Å
290	M	96.4	Very high	92.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-40.2	-176.3	-69	-57	-61.4	0	0	112.8	L196 A199 D203 L288 Q292 V293 L294 L306 L307	L196-M290 HydrophobicContact CD1-CE 4.05Å; L196-M290 HydrophobicContact CD1-CG 4.33Å; A199-M290 HydrophobicContact CB-CG 3.82Å; D203-M290 PolarHBondContact OD1-N 3.13Å; D203-M290 PolarHBondContact OD2-N 3.34Å; L288-M290 PolarHBondContact O-N 2.89Å; M290-Q292 VanDerWaalsContact C-N 3.29Å; M290-Q292 PolarHBondContact O-N 2.97Å; M290-V293 PolarHBondContact O-N 2.89Å; M290-L294 WeakPolarHBondContact O-CG 3.41Å; M290-L294 PolarHBondContact O-N 3.04Å; M290-L294 VanDerWaalsContact O-N 3.07Å; M290-L306 HydrophobicContact SD-CB 4.36Å; M290-L307 HydrophobicContact CE-CB 4.07Å
291	H	95.7	Very high	92.9	Very high	21 Å²	21	35.7 Å²	35.7	10%	0.097	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-37.2	176.3	74.5	-75.6	0	0	0	112.1	D203 I217 Y289 I295	D203-H291 IonicContact OD2-CE1 3.32Å; D203-H291 IonicContact OD2-CG 2.8Å; D203-H291 PolarHBondContact OD2-N 3.36Å; D203-H291 IonicContact OD2-ND1 3.8Å; D203-H291 PolarHBondContact OD2-ND1 3.2Å; I217-H291 HydrophobicContact CD1-CB 4.03Å; I217-H291 HydrophobicContact CG1-CB 4.33Å; Y289-H291 VanDerWaalsContact C-N 3.3Å; Y289-H291 PolarHBondContact O-N 3.42Å; H291-I295 WeakPolarHBondContact O-CD1 3.4Å; H291-I295 VanDerWaalsContact O-CG1 3.29Å; H291-I295 WeakPolarHBondContact O-CG1 3.27Å; H291-I295 PolarHBondContact O-N 3.18Å
292	Q	96.6	Very high	93.5	Very high	42 Å²	42	32.4 Å²	32.4	20%	0.196	15%	0.147	C	C	.	.	H	α-helix	trans	-76.6	-35.2	176.7	-67	-62.9	-36.3	0	0	112.4	L286 Y289 M290 L294 I295 R296	L286-Q292 HydrophobicContact CB-CB 4.25Å; L286-Q292 HydrophobicContact CB-CG 4.31Å; L286-Q292 HydrophobicContact CD2-CG 3.9Å; L286-Q292 WeakPolarHBondContact O-CB 3.11Å; Y289-Q292 HydrophobicContact CD2-CG 4.44Å; Y289-Q292 CarbonylContact O-C 3.48Å; Y289-Q292 WeakPolarHBondContact O-CB 3.49Å; Y289-Q292 PolarHBondContact O-N 3.44Å; M290-Q292 VanDerWaalsContact C-N 3.29Å; M290-Q292 PolarHBondContact O-N 2.97Å; Q292-L294 VanDerWaalsContact C-N 3.3Å; Q292-L294 PolarHBondContact O-N 3.28Å; Q292-I295 PolarHBondContact O-N 3.4Å; Q292-R296 VanDerWaalsContact O-CB 3.25Å; Q292-R296 WeakPolarHBondContact O-CB 3.5Å; Q292-R296 WeakPolarHBondContact O-CG 3.46Å; Q292-R296 PolarHBondContact O-N 2.8Å
293	V	97.1	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.8	-40.9	176.7	173.1	0	0	0	0	110.2	F275 N287 Y289 M290 R297 M304	F275-V293 HydrophobicContact CE1-CG1 4.41Å; F275-V293 WeakPolarHBondContact CE1-O 3.46Å; N287-V293 WeakPolarHBondContact O-CG2 3.44Å; Y289-V293 WeakPolarHBondContact O-CG2 3.21Å; Y289-V293 PolarHBondContact O-N 3.37Å; M290-V293 PolarHBondContact O-N 2.89Å; V293-R297 WeakPolarHBondContact O-CA 3.29Å; V293-R297 PolarHBondContact O-N 2.96Å; V293-M304 HydrophobicContact CG1-SD 4.18Å
294	L	97.1	Very high	95	Very high	11 Å²	11	24.9 Å²	24.9	6%	0.058	12%	0.118	C	C	.	.	H	α-helix	trans	-66.7	-43	176.4	-70.2	170.7	0	0	0	112.6	I217 Q220 I221 I224 F275 M290 Q292 L307	I217-L294 HydrophobicContact CB-CD1 4.48Å; I217-L294 HydrophobicContact CG2-CD1 3.85Å; Q220-L294 HydrophobicContact CB-CD1 3.98Å; I221-L294 HydrophobicContact CG1-CD1 4.29Å; I221-L294 HydrophobicContact CG1-CD2 4.22Å; I224-L294 HydrophobicContact CD1-CD2 3.96Å; F275-L294 HydrophobicContact CZ-CD2 4.34Å; M290-L294 WeakPolarHBondContact O-CG 3.41Å; M290-L294 PolarHBondContact O-N 3.04Å; M290-L294 VanDerWaalsContact O-N 3.07Å; Q292-L294 VanDerWaalsContact C-N 3.3Å; Q292-L294 PolarHBondContact O-N 3.28Å; L294-L307 HydrophobicContact CD2-CD1 3.87Å; L294-L307 HydrophobicContact CD2-CD2 4.41Å
295	I	95.9	Very high	95.6	Very high	112 Å²	112	23.1 Å²	23.1	57%	0.574	11%	0.108	S	C	*	.	H	α-helix	trans	-69.3	-52.7	179.8	-67.2	167.2	0	0	0	111.3	H291 Q292 R297	H291-I295 WeakPolarHBondContact O-CD1 3.4Å; H291-I295 VanDerWaalsContact O-CG1 3.29Å; H291-I295 WeakPolarHBondContact O-CG1 3.27Å; H291-I295 PolarHBondContact O-N 3.18Å; Q292-I295 PolarHBondContact O-N 3.4Å; I295-R297 VanDerWaalsContact C-N 3.34Å
296	R	96.4	Very high	96.1	Very high	77 Å²	77	22.4 Å²	22.4	29%	0.291	10%	0.102	S	C	.	.	H	α-helix	trans	-81.2	-17.4	-174.1	-61.5	170.2	64.3	-129.4	4.7	112.5	L286 N287 Q292 T298	L286-R296 VanDerWaalsContact CB-NH1 3.32Å; L286-R296 PolarHBondContact O-NH1 2.88Å; N287-R296 PolarHBondContact OD1-NH1 3.2Å; Q292-R296 VanDerWaalsContact O-CB 3.25Å; Q292-R296 WeakPolarHBondContact O-CB 3.5Å; Q292-R296 WeakPolarHBondContact O-CG 3.46Å; Q292-R296 PolarHBondContact O-N 2.8Å; R296-T298 WeakPolarHBondContact CB-OG1 3.49Å; R296-T298 PolarHBondContact NH1-OG1 3.12Å; R296-T298 PolarHBondContact O-N 3.03Å
297	R	97.3	Very high	96.3	Very high	107 Å²	107	19.6 Å²	19.6	40%	0.404	9%	0.087	S	C	.	.			trans	56.1	30.5	-173.7	-51.3	-170.8	-174.4	164	-0.4	112.8	L273 F275 K276 V293 I295	L273-R297 WeakPolarHBondContact O-CD 3.26Å; L273-R297 PolarHBondContact O-NH1 3.14Å; F275-R297 VanDerWaalsContact CA-O 3.3Å; F275-R297 WeakPolarHBondContact CA-O 3.34Å; F275-R297 HydrophobicContact CD1-CB 3.91Å; F275-R297 HydrophobicContact CD1-CG 4.49Å; F275-R297 HydrophobicContact CD2-CB 4.27Å; F275-R297 HydrophobicContact CD2-CG 4.39Å; F275-R297 HydrophobicContact CE1-CB 4.03Å; F275-R297 HydrophobicContact CE1-CG 4.16Å; F275-R297 HydrophobicContact CE2-CB 4.37Å; F275-R297 HydrophobicContact CE2-CG 4.05Å; F275-R297 HydrophobicContact CG-CB 4.04Å; F275-R297 HydrophobicContact CZ-CB 4.25Å; F275-R297 HydrophobicContact CZ-CG 3.93Å; K276-R297 PolarHBondContact N-O 3.31Å; V293-R297 WeakPolarHBondContact O-CA 3.29Å; V293-R297 PolarHBondContact O-N 2.96Å; I295-R297 VanDerWaalsContact C-N 3.34Å
298	T	96.9	Very high	96.6	Very high	15 Å²	15	19.7 Å²	19.7	9%	0.092	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.1	-179.9	57.5	0	0	0	0	111.1	K276 R296	K276-T298 HydrophobicContact CG-CG2 3.95Å; K276-T298 VanDerWaalsContact O-CA 3.3Å; K276-T298 WeakPolarHBondContact O-CA 3.27Å; R296-T298 WeakPolarHBondContact CB-OG1 3.49Å; R296-T298 PolarHBondContact NH1-OG1 3.12Å; R296-T298 PolarHBondContact O-N 3.03Å
299	G	96.3	Very high	96.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-177.8	-179.5	0	0	0	0	0	113.6	K276 G277 N278 N287 F352	K276-G299 PolarHBondContact O-N 3.1Å; G277-G299 WeakPolarHBondContact CA-O 3.26Å; N278-G299 PolarHBondContact N-O 2.99Å; N287-G299 WeakPolarHBondContact O-CA 3.46Å; G299-F352 WeakPolarHBondContact O-CE2 3.5Å
300	I	95.3	Very high	96.7	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.031	9%	0.09	C	C	.	.			trans	-105.9	172.9	168.6	66.6	162.9	0	0	0	109.9	Y282 N287 L288 I302 S303 M304 N391	Y282-I300 HydrophobicContact CD2-CG2 4.16Å; Y282-I300 HydrophobicContact CE2-CB 4.2Å; Y282-I300 HydrophobicContact CE2-CG2 4.05Å; Y282-I300 HydrophobicContact CG-CG2 4.46Å; Y282-I300 WeakPolarHBondContact O-CG2 3.33Å; N287-I300 HydrophobicContact CB-CG2 3.66Å; N287-I300 PolarHBondContact O-N 2.65Å; L288-I300 HydrophobicContact CD1-CD1 4.01Å; L288-I300 HydrophobicContact CD2-CD1 3.44Å; L288-I300 VanDerWaalsContact CD2-CD1 3.44Å; L288-I300 HydrophobicContact CD2-CG1 3.96Å; L288-I300 HydrophobicContact CG-CD1 3.53Å; L288-I300 HydrophobicContact CG-CG1 4Å; I300-I302 VanDerWaalsContact C-N 3.31Å; I300-I302 HydrophobicContact CD1-CG2 3.89Å; I300-I302 HydrophobicContact CG1-CG2 3.97Å; I300-I302 PolarHBondContact O-N 3.32Å; I300-I302 VanDerWaalsContact O-N 3.15Å; I300-S303 PolarHBondContact N-OG 2.97Å; I300-S303 VanDerWaalsContact N-OG 3.1Å; I300-S303 PolarHBondContact O-N 2.59Å; I300-S303 PolarHBondContact O-OG 3.12Å; I300-S303 VanDerWaalsContact O-OG 3.1Å; I300-M304 WeakPolarHBondContact O-CB 3.04Å; I300-M304 WeakPolarHBondContact O-CG 3.44Å; I300-M304 PolarHBondContact O-N 2.96Å; I300-N391 HydrophobicContact CD1-CB 4.36Å
301	P	96.7	Very high	96.7	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.019	9%	0.09	C	C	.	.	H	α-helix	trans	-51.1	-43.6	-173.2	-31.2	37.8	0	0	0	115.2	Y282 S305 H327 F328 F352	Y282-P301 HydrophobicContact CE2-CG 4.38Å; Y282-P301 WeakPolarHBondContact OH-CD 3.3Å; P301-S305 VanDerWaalsContact O-CB 3.23Å; P301-S305 WeakPolarHBondContact O-CB 3.46Å; P301-S305 PolarHBondContact O-N 2.95Å; P301-S305 PolarHBondContact O-OG 3.21Å; P301-H327 VanDerWaalsContact CG-CE1 3.42Å; P301-H327 WeakPolarHBondContact CG-CE1 3.31Å; P301-H327 VanDerWaalsContact CG-ND1 3.25Å; P301-H327 WeakPolarHBondContact CG-ND1 3.45Å; P301-F328 HydrophobicContact CB-CB 4.14Å; P301-F352 HydrophobicContact CB-CB 4.29Å; P301-F352 HydrophobicContact CG-CB 4.13Å; P301-F352 HydrophobicContact CG-CD1 4.43Å; P301-F352 HydrophobicContact CG-CD2 3.92Å; P301-F352 HydrophobicContact CG-CE2 4.38Å; P301-F352 HydrophobicContact CG-CG 3.94Å
302	I	96.9	Very high	96.7	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-68.2	-45.6	-178.5	-169.4	158.8	0	0	0	113.1	L288 I300 S305 L306 F328 V384 R387 M388 N391	L288-I302 HydrophobicContact CD2-CG2 3.64Å; I300-I302 VanDerWaalsContact C-N 3.31Å; I300-I302 HydrophobicContact CD1-CG2 3.89Å; I300-I302 HydrophobicContact CG1-CG2 3.97Å; I300-I302 PolarHBondContact O-N 3.32Å; I300-I302 VanDerWaalsContact O-N 3.15Å; I302-S305 PolarHBondContact O-N 3.08Å; I302-L306 WeakPolarHBondContact O-CG 3.14Å; I302-L306 PolarHBondContact O-N 2.79Å; I302-F328 HydrophobicContact CB-CB 4.01Å; I302-F328 HydrophobicContact CB-CD1 4.5Å; I302-F328 HydrophobicContact CB-CD2 4.39Å; I302-F328 HydrophobicContact CB-CG 4.07Å; I302-F328 HydrophobicContact CD1-CD2 3.9Å; I302-F328 HydrophobicContact CD1-CE2 3.98Å; I302-F328 HydrophobicContact CD1-CG 4.4Å; I302-F328 HydrophobicContact CG1-CD1 4.3Å; I302-F328 HydrophobicContact CG1-CD2 4.05Å; I302-F328 HydrophobicContact CG1-CE1 4.48Å; I302-F328 HydrophobicContact CG1-CE2 4.24Å; I302-F328 HydrophobicContact CG1-CG 4.05Å; I302-F328 HydrophobicContact CG1-CZ 4.43Å; I302-V384 HydrophobicContact CD1-CG1 4.1Å; I302-V384 HydrophobicContact CG1-CG1 4.44Å; I302-R387 HydrophobicContact CD1-CB 3.71Å; I302-R387 HydrophobicContact CD1-CG 3.58Å; I302-M388 HydrophobicContact CD1-CB 4.43Å; I302-M388 HydrophobicContact CD1-CG 3.44Å; I302-M388 VanDerWaalsContact CD1-CG 3.44Å; I302-M388 HydrophobicContact CG1-CG 3.91Å; I302-M388 HydrophobicContact CG2-CG 4.34Å; I302-N391 WeakPolarHBondContact CG2-ND2 3.3Å
303	S	97.1	Very high	96.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-70.3	-37.6	-178.1	50.2	0	0	0	0	111.8	N287 I300 L306 L307	N287-S303 WeakPolarHBondContact O-CB 3.38Å; N287-S303 PolarHBondContact O-OG 2.98Å; I300-S303 PolarHBondContact N-OG 2.97Å; I300-S303 VanDerWaalsContact N-OG 3.1Å; I300-S303 PolarHBondContact O-N 2.59Å; I300-S303 PolarHBondContact O-OG 3.12Å; I300-S303 VanDerWaalsContact O-OG 3.1Å; S303-L306 PolarHBondContact O-N 2.89Å; S303-L307 PolarHBondContact O-N 3.14Å; S303-L307 VanDerWaalsContact O-N 3.09Å
304	M	97.7	Very high	96.2	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.015	10%	0.098	C	C	.	.	H	α-helix	trans	-63.8	-43.4	173.4	-67.9	-56.3	-59.7	0	0	111.9	Y270 F275 V293 I300 L307 Y308 A351 F352	Y270-M304 HydrophobicContact CE1-CE 4.11Å; F275-M304 HydrophobicContact CB-CE 3.96Å; F275-M304 HydrophobicContact CD1-CE 4.19Å; V293-M304 HydrophobicContact CG1-SD 4.18Å; I300-M304 WeakPolarHBondContact O-CB 3.04Å; I300-M304 WeakPolarHBondContact O-CG 3.44Å; I300-M304 PolarHBondContact O-N 2.96Å; M304-L307 PolarHBondContact O-N 3.26Å; M304-Y308 WeakPolarHBondContact O-CB 3.44Å; M304-Y308 PolarHBondContact O-N 3.43Å; M304-A351 HydrophobicContact CB-CB 4.25Å; M304-F352 HydrophobicContact CG-CD2 4.41Å
305	S	97.9	Very high	96.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67	-35.2	177.3	-68.5	0	0	0	0	112.3	P301 I302 Y308 L309 F328	P301-S305 VanDerWaalsContact O-CB 3.23Å; P301-S305 WeakPolarHBondContact O-CB 3.46Å; P301-S305 PolarHBondContact O-N 2.95Å; P301-S305 PolarHBondContact O-OG 3.21Å; I302-S305 PolarHBondContact O-N 3.08Å; S305-Y308 PolarHBondContact O-N 3.07Å; S305-L309 WeakPolarHBondContact O-CB 3.48Å; S305-L309 PolarHBondContact O-N 3.19Å; S305-F328 PolarHBondContact OG-O 3.42Å
306	L	97.4	Very high	95.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.8	-44.9	174	-72.5	-173.9	0	0	0	112.5	Y195 A199 M290 I302 S303 Y308 L309 T310 V384 M388	Y195-L306 HydrophobicContact CD1-CD2 4.37Å; Y195-L306 HydrophobicContact CG-CD2 4.27Å; A199-L306 HydrophobicContact CB-CD1 3.97Å; M290-L306 HydrophobicContact SD-CB 4.36Å; I302-L306 WeakPolarHBondContact O-CG 3.14Å; I302-L306 PolarHBondContact O-N 2.79Å; S303-L306 PolarHBondContact O-N 2.89Å; L306-Y308 VanDerWaalsContact C-N 3.33Å; L306-Y308 PolarHBondContact O-N 2.65Å; L306-L309 HydrophobicContact CD2-CD2 4.33Å; L306-L309 PolarHBondContact O-N 3.46Å; L306-T310 PolarHBondContact O-N 3.01Å; L306-T310 PolarHBondContact O-OG1 3.45Å; L306-V384 HydrophobicContact CD1-CG1 4.11Å; L306-V384 HydrophobicContact CD2-CG1 4Å; L306-V384 HydrophobicContact CG-CG1 4.45Å; L306-M388 HydrophobicContact CD1-CE 4.42Å; L306-M388 HydrophobicContact CD1-SD 3.67Å
307	L	97.8	Very high	95.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-57.4	-47.9	173.7	178.2	60.5	0	0	0	111.3	I221 L269 F275 M290 L294 S303 M304 T310 I311	I221-L307 HydrophobicContact CD1-CD1 4.18Å; I221-L307 HydrophobicContact CG1-CD1 3.9Å; L269-L307 HydrophobicContact CD2-CD2 4.31Å; F275-L307 HydrophobicContact CD1-CD2 3.88Å; F275-L307 HydrophobicContact CE1-CD2 3.51Å; F275-L307 HydrophobicContact CZ-CD2 3.97Å; M290-L307 HydrophobicContact CE-CB 4.07Å; L294-L307 HydrophobicContact CD2-CD1 3.87Å; L294-L307 HydrophobicContact CD2-CD2 4.41Å; S303-L307 PolarHBondContact O-N 3.14Å; S303-L307 VanDerWaalsContact O-N 3.09Å; M304-L307 PolarHBondContact O-N 3.26Å; L307-T310 PolarHBondContact O-N 3.47Å; L307-I311 HydrophobicContact CD1-CD1 3.86Å; L307-I311 HydrophobicContact CD1-CG1 4.42Å; L307-I311 HydrophobicContact CG-CD1 4.01Å; L307-I311 WeakPolarHBondContact O-CG1 3.44Å; L307-I311 PolarHBondContact O-N 3.06Å; L307-I311 VanDerWaalsContact O-N 3.15Å
308	Y	98.2	Very high	95.5	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.008	5%	0.053	C	C	.	.	H	α-helix	trans	-61.9	-47.2	-179.8	-163	-77.8	0	0	0	111.6	L262 M265 N266 L269 Y270 M304 S305 L306 T310 I311 A312 L319 L330 I349 A351	L262-Y308 HydrophobicContact CD2-CE1 3.7Å; L262-Y308 WeakPolarHBondContact CD2-OH 3.4Å; M265-Y308 HydrophobicContact CE-CD1 3.69Å; M265-Y308 HydrophobicContact CE-CD2 4.03Å; M265-Y308 HydrophobicContact CE-CE1 3.59Å; M265-Y308 HydrophobicContact CE-CE2 3.94Å; M265-Y308 HydrophobicContact CE-CG 3.9Å; M265-Y308 WeakPolarHBondContact CE-O 3.4Å; N266-Y308 VanDerWaalsContact OD1-CE2 3.32Å; N266-Y308 WeakPolarHBondContact OD1-CE2 3.46Å; N266-Y308 PolarHBondContact OD1-OH 2.83Å; L269-Y308 HydrophobicContact CD1-CD2 3.82Å; L269-Y308 HydrophobicContact CD1-CE2 4.28Å; Y270-Y308 HydrophobicContact CE2-CE2 4.28Å; M304-Y308 WeakPolarHBondContact O-CB 3.44Å; M304-Y308 PolarHBondContact O-N 3.43Å; S305-Y308 PolarHBondContact O-N 3.07Å; L306-Y308 VanDerWaalsContact C-N 3.33Å; L306-Y308 PolarHBondContact O-N 2.65Å; Y308-T310 PolarHBondContact O-N 3.05Å; Y308-I311 PolarHBondContact O-N 3.02Å; Y308-A312 WeakPolarHBondContact O-CB 3.35Å; Y308-A312 PolarHBondContact O-N 3.37Å; Y308-L319 HydrophobicContact CD1-CD1 3.69Å; Y308-L319 HydrophobicContact CE1-CD1 3.65Å; Y308-L330 HydrophobicContact CD1-CD1 3.71Å; Y308-L330 HydrophobicContact CG-CD1 4.3Å; Y308-I349 HydrophobicContact CD1-CG2 4.49Å; Y308-I349 HydrophobicContact CE1-CD1 4.33Å; Y308-I349 HydrophobicContact CE1-CG2 4Å; Y308-A351 HydrophobicContact CD2-CB 4.05Å; Y308-A351 HydrophobicContact CG-CB 4Å
309	L	96.1	Very high	95.3	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-58.1	-46.1	176.8	174.5	62.6	0	0	0	111.9	Y195 S305 L306 I311 A312 R313 L319 L330	Y195-L309 HydrophobicContact CD2-CD2 3.72Å; Y195-L309 HydrophobicContact CE2-CD2 4.05Å; Y195-L309 HydrophobicContact CG-CD2 4.08Å; S305-L309 WeakPolarHBondContact O-CB 3.48Å; S305-L309 PolarHBondContact O-N 3.19Å; L306-L309 HydrophobicContact CD2-CD2 4.33Å; L306-L309 PolarHBondContact O-N 3.46Å; L309-I311 PolarHBondContact O-N 3.31Å; L309-A312 PolarHBondContact O-N 2.91Å; L309-R313 WeakPolarHBondContact O-CB 3.26Å; L309-R313 PolarHBondContact O-N 3.5Å; L309-L319 HydrophobicContact CD1-CB 3.75Å; L309-L319 WeakPolarHBondContact CD1-O 3.42Å; L309-L330 HydrophobicContact CB-CD1 4.04Å; L309-L330 HydrophobicContact CB-CD2 4.07Å; L309-L330 HydrophobicContact CD2-CD2 4.4Å
310	T	94.9	Very high	95.2	Very high	14 Å²	14	13.1 Å²	13.1	9%	0.086	7%	0.066	C	C	.	.	H	α-helix	trans	-62.2	-43.9	-179.9	-58.1	0	0	0	0	111.7	L196 I221 L306 L307 Y308 Q314	L196-T310 HydrophobicContact CD2-CG2 4.26Å; I221-T310 HydrophobicContact CD1-CG2 4.17Å; I221-T310 HydrophobicContact CG2-CG2 4.06Å; L306-T310 PolarHBondContact O-N 3.01Å; L306-T310 PolarHBondContact O-OG1 3.45Å; L307-T310 PolarHBondContact O-N 3.47Å; Y308-T310 PolarHBondContact O-N 3.05Å; T310-Q314 PolarHBondContact O-N 2.93Å
311	I	95.7	Very high	95.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.9	-46.6	178.3	-64.8	165.5	0	0	0	110.8	I221 I224 V225 V228 M265 L269 L307 Y308 L309 R313 Q314 L315	I221-I311 HydrophobicContact CG2-CG1 3.85Å; I224-I311 HydrophobicContact CB-CD1 4.39Å; I224-I311 HydrophobicContact CG2-CD1 3.75Å; V225-I311 HydrophobicContact CG2-CB 4.37Å; V225-I311 HydrophobicContact CG2-CG1 4.18Å; V225-I311 HydrophobicContact CG2-CG2 3.99Å; V228-I311 HydrophobicContact CG2-CG2 4.38Å; M265-I311 HydrophobicContact CE-CB 3.88Å; M265-I311 HydrophobicContact CE-CG2 3.74Å; M265-I311 HydrophobicContact CG-CG2 3.96Å; M265-I311 HydrophobicContact SD-CG2 3.99Å; L269-I311 HydrophobicContact CD1-CD1 4.22Å; L269-I311 HydrophobicContact CD2-CD1 3.88Å; L269-I311 HydrophobicContact CG-CD1 4.45Å; L307-I311 HydrophobicContact CD1-CD1 3.86Å; L307-I311 HydrophobicContact CD1-CG1 4.42Å; L307-I311 HydrophobicContact CG-CD1 4.01Å; L307-I311 WeakPolarHBondContact O-CG1 3.44Å; L307-I311 PolarHBondContact O-N 3.06Å; L307-I311 VanDerWaalsContact O-N 3.15Å; Y308-I311 PolarHBondContact O-N 3.02Å; L309-I311 PolarHBondContact O-N 3.31Å; I311-R313 VanDerWaalsContact C-N 3.31Å; I311-R313 PolarHBondContact O-N 3.18Å; I311-Q314 PolarHBondContact O-N 3.07Å; I311-L315 HydrophobicContact CG2-CD1 3.94Å; I311-L315 PolarHBondContact O-N 2.81Å
312	A	95.3	Very high	95.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.4	-44.7	179.6	0	0	0	0	0	111.8	M265 Y308 L309 Q314 L315 G316 V317 L319	M265-A312 HydrophobicContact CE-CB 3.9Å; M265-A312 HydrophobicContact SD-CB 3.95Å; Y308-A312 WeakPolarHBondContact O-CB 3.35Å; Y308-A312 PolarHBondContact O-N 3.37Å; L309-A312 PolarHBondContact O-N 2.91Å; A312-Q314 PolarHBondContact O-N 3.19Å; A312-L315 CarbonylContact O-C 3.59Å; A312-L315 PolarHBondContact O-N 3.16Å; A312-L315 VanDerWaalsContact O-N 3.13Å; A312-G316 PolarHBondContact O-N 3.24Å; A312-G316 VanDerWaalsContact O-N 3.12Å; A312-V317 CarbonylContact C-O 3.51Å; A312-V317 HydrophobicContact CB-CB 4.21Å; A312-V317 PolarHBondContact O-N 3.4Å; A312-L319 HydrophobicContact CB-CD1 3.46Å; A312-L319 VanDerWaalsContact CB-CD1 3.46Å; A312-L319 HydrophobicContact CB-CG 3.95Å
313	R	92.4	Very high	95.1	Very high	65 Å²	65	15.1 Å²	15.1	25%	0.245	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-43.2	178.7	-175.5	179.2	-71.9	149.5	-6.1	112.3	E193 L309 I311 L315 G316	E193-R313 PolarHBondContact O-NH1 2.99Å; E193-R313 IonicContact OE2-CZ 3.15Å; E193-R313 VanDerWaalsContact OE2-CZ 3.3Å; E193-R313 IonicContact OE2-NE 3.32Å; E193-R313 IonicContact OE2-NH2 2.74Å; E193-R313 PolarHBondContact OE2-NH2 2.67Å; L309-R313 WeakPolarHBondContact O-CB 3.26Å; L309-R313 PolarHBondContact O-N 3.5Å; I311-R313 VanDerWaalsContact C-N 3.31Å; I311-R313 PolarHBondContact O-N 3.18Å; R313-L315 PolarHBondContact O-N 2.9Å; R313-G316 PolarHBondContact O-N 2.88Å
314	Q	92	Very high	95	Very high	47 Å²	47	15.1 Å²	15.1	22%	0.22	8%	0.076	C	C	.	.	H	α-helix	trans	-64.5	-25.5	177.2	-72.1	-169.5	-0.3	0	0	113.3	D222 V225 T310 I311 A312 G316	D222-Q314 PolarHBondContact OD1-NE2 2.92Å; D222-Q314 PolarHBondContact OD1-OE1 3.12Å; V225-Q314 HydrophobicContact CG1-CB 4.48Å; V225-Q314 HydrophobicContact CG2-CB 4.43Å; T310-Q314 PolarHBondContact O-N 2.93Å; I311-Q314 PolarHBondContact O-N 3.07Å; A312-Q314 PolarHBondContact O-N 3.19Å; Q314-G316 VanDerWaalsContact C-N 3.34Å
315	L	93.8	Very high	94.6	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6	177	-64.2	169.8	0	0	0	112.8	V225 V228 C229 S241 F244 I252 V261 M265 I311 A312 R313	V225-L315 HydrophobicContact CG1-CD2 3.83Å; V225-L315 HydrophobicContact CG1-CG 4.15Å; V228-L315 HydrophobicContact CB-CD1 3.92Å; V228-L315 HydrophobicContact CG1-CD1 3.4Å; V228-L315 VanDerWaalsContact CG1-CD1 3.4Å; C229-L315 VanDerWaalsContact SG-CD2 3.5Å; S241-L315 WeakPolarHBondContact CB-O 3.36Å; S241-L315 PolarHBondContact OG-O 3.34Å; F244-L315 WeakPolarHBondContact CE2-O 3.49Å; I252-L315 WeakPolarHBondContact CD1-O 3.18Å; V261-L315 HydrophobicContact CG1-CB 3.56Å; V261-L315 HydrophobicContact CG1-CD1 3.76Å; V261-L315 HydrophobicContact CG1-CG 4.29Å; M265-L315 HydrophobicContact CG-CD1 4.1Å; M265-L315 HydrophobicContact SD-CD1 4.31Å; I311-L315 HydrophobicContact CG2-CD1 3.94Å; I311-L315 PolarHBondContact O-N 2.81Å; A312-L315 CarbonylContact O-C 3.59Å; A312-L315 PolarHBondContact O-N 3.16Å; A312-L315 VanDerWaalsContact O-N 3.13Å; R313-L315 PolarHBondContact O-N 2.9Å
316	G	92.3	Very high	94.1	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.021	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	25.9	175.4	0	0	0	0	0	115.9	S250 I252 A312 R313 Q314	S250-G316 WeakPolarHBondContact O-CA 3.34Å; I252-G316 PolarHBondContact N-O 2.91Å; A312-G316 PolarHBondContact O-N 3.24Å; A312-G316 VanDerWaalsContact O-N 3.12Å; R313-G316 PolarHBondContact O-N 2.88Å; Q314-G316 VanDerWaalsContact C-N 3.34Å
317	V	93.8	Very high	93.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.			trans	-97.5	113	170.1	-175.9	0	0	0	0	109.2	I252 Q258 V261 L262 A312 L319	I252-V317 HydrophobicContact CD1-CG2 4.32Å; Q258-V317 HydrophobicContact CB-CG1 4.16Å; Q258-V317 HydrophobicContact CB-CG2 4.05Å; Q258-V317 HydrophobicContact CG-CG1 4.39Å; Q258-V317 HydrophobicContact CG-CG2 4.2Å; V261-V317 HydrophobicContact CB-CG2 3.66Å; V261-V317 HydrophobicContact CG1-CG2 3.59Å; V261-V317 HydrophobicContact CG2-CG2 4.18Å; L262-V317 HydrophobicContact CD1-CG1 4.47Å; L262-V317 HydrophobicContact CD2-CG1 4.11Å; L262-V317 HydrophobicContact CG-CG1 4.3Å; A312-V317 CarbonylContact C-O 3.51Å; A312-V317 HydrophobicContact CB-CB 4.21Å; A312-V317 PolarHBondContact O-N 3.4Å; V317-L319 HydrophobicContact CG1-CD2 3.97Å; V317-L319 HydrophobicContact CG1-CG 4.16Å; V317-L319 PolarHBondContact O-N 2.92Å
318	P	90.6	Very high	93.8	Very high	54 Å²	54	21.3 Å²	21.3	35%	0.351	12%	0.117	S	C	.	.			trans	-76.6	105.3	179.3	30.6	-32.5	0	0	0	110.1	M251	M251-P318 HydrophobicContact SD-CB 4.48Å
319	L	94.2	Very high	93.8	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.042	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.4	171.4	-59	-177.7	0	0	0	109.6	L262 Y308 L309 A312 V317 L330 W332 I349	L262-L319 HydrophobicContact CD2-CD1 4.21Å; Y308-L319 HydrophobicContact CD1-CD1 3.69Å; Y308-L319 HydrophobicContact CE1-CD1 3.65Å; L309-L319 HydrophobicContact CD1-CB 3.75Å; L309-L319 WeakPolarHBondContact CD1-O 3.42Å; A312-L319 HydrophobicContact CB-CD1 3.46Å; A312-L319 VanDerWaalsContact CB-CD1 3.46Å; A312-L319 HydrophobicContact CB-CG 3.95Å; V317-L319 HydrophobicContact CG1-CD2 3.97Å; V317-L319 HydrophobicContact CG1-CG 4.16Å; V317-L319 PolarHBondContact O-N 2.92Å; L319-L330 HydrophobicContact CB-CB 4.47Å; L319-L330 HydrophobicContact CB-CD1 4.4Å; L319-L330 HydrophobicContact CD1-CD1 3.78Å; L319-W332 HydrophobicContact CD2-CB 3.65Å; L319-W332 HydrophobicContact CD2-CG 3.88Å; L319-I349 HydrophobicContact CD1-CD1 4.09Å; L319-I349 HydrophobicContact CD2-CD1 3.71Å
320	E	94.1	Very high	93.9	Very high	67 Å²	67	21.1 Å²	21.1	31%	0.313	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.8	-179.3	-62.1	175.5	134.8	0	0	109.9	L330 R331 V378	E320-L330 CarbonylContact O-C 3.55Å; E320-L330 WeakPolarHBondContact O-CA 3.3Å; E320-R331 HydrophobicContact CB-CG 3.79Å; E320-R331 PolarHBondContact N-O 2.91Å; E320-R331 PolarHBondContact O-N 3.25Å; E320-R331 IonicContact OE1-NH2 3.63Å; E320-R331 IonicContact OE2-CZ 3.57Å; E320-R331 IonicContact OE2-NE 3.82Å; E320-R331 PolarHBondContact OE2-NE 2.92Å; E320-R331 IonicContact OE2-NH2 2.77Å; E320-R331 PolarHBondContact OE2-NH2 3.37Å; E320-V378 HydrophobicContact CB-CG1 4.04Å; E320-V378 HydrophobicContact CB-CG2 3.83Å; E320-V378 HydrophobicContact CG-CG2 4.17Å; E320-V378 WeakPolarHBondContact OE2-CG2 3.42Å
321	P	96.1	Very high	93.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	142.1	179.9	28.4	-34.6	0	0	0	112.6	Y195 F328 L330 V378 V379 V384	Y195-P321 HydrophobicContact CE1-CG 3.71Å; Y195-P321 HydrophobicContact CE2-CG 4.39Å; Y195-P321 VanDerWaalsContact OH-CG 3.32Å; Y195-P321 WeakPolarHBondContact OH-CG 3.21Å; P321-F328 HydrophobicContact CB-CE1 3.86Å; P321-F328 HydrophobicContact CB-CZ 3.6Å; P321-L330 HydrophobicContact CB-CD2 4.28Å; P321-V378 CarbonylContact O-C 3.55Å; P321-V378 WeakPolarHBondContact O-CA 3.48Å; P321-V379 HydrophobicContact CB-CG2 4Å; P321-V379 HydrophobicContact CG-CG2 4.15Å; P321-V379 VanDerWaalsContact CG-O 3.28Å; P321-V379 WeakPolarHBondContact CG-O 3.45Å; P321-V379 WeakPolarHBondContact O-CG2 3.18Å; P321-V379 PolarHBondContact O-N 3.49Å; P321-V384 HydrophobicContact CB-CG2 4.31Å; P321-V384 HydrophobicContact CG-CG2 4.4Å
322	V	96	Very high	93.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.4	179	-176.9	0	0	0	0	109.5	F324 L329 R331 Y348 L375	V322-F324 HydrophobicContact CG1-CB 4.15Å; V322-F324 PolarHBondContact O-N 2.94Å; V322-L329 HydrophobicContact CB-CB 4.37Å; V322-L329 PolarHBondContact N-O 2.94Å; V322-L329 PolarHBondContact O-N 3Å; V322-L329 VanDerWaalsContact O-N 3.12Å; V322-R331 HydrophobicContact CG2-CB 3.78Å; V322-R331 HydrophobicContact CG2-CG 3.69Å; V322-Y348 HydrophobicContact CG2-CD1 4.42Å; V322-Y348 HydrophobicContact CG2-CE1 4.27Å; V322-L375 WeakPolarHBondContact CG1-O 3.4Å
323	N	94.2	Very high	93.5	Very high	50 Å²	50	24 Å²	24	27%	0.267	13%	0.131	S	C	.	.			trans	-79.7	58.2	178.9	-172.4	33.5	0	0	0	112	F328 V379 R387	N323-F328 HydrophobicContact CB-CE2 4.35Å; N323-V379 HydrophobicContact CB-CB 4.31Å; N323-V379 HydrophobicContact CB-CG1 3.51Å; N323-V379 HydrophobicContact CB-CG2 4.01Å; N323-R387 VanDerWaalsContact OD1-CD 3.23Å; N323-R387 WeakPolarHBondContact OD1-CD 3.36Å; N323-R387 WeakPolarHBondContact OD1-CG 3.41Å; N323-R387 PolarHBondContact OD1-NE 2.95Å
324	F	94.4	Very high	92.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.			trans	-70.2	141.3	-175.2	-167.5	-102.6	0	0	0	111.2	V322 H327 L329 C363 I367 V371 Y376	V322-F324 HydrophobicContact CG1-CB 4.15Å; V322-F324 PolarHBondContact O-N 2.94Å; F324-H327 CarbonylContact C-O 3.56Å; F324-H327 VanDerWaalsContact CB-O 3.28Å; F324-H327 WeakPolarHBondContact CB-O 3.5Å; F324-H327 CarbonylContact O-C 3.58Å; F324-H327 PolarHBondContact O-N 2.98Å; F324-H327 VanDerWaalsContact O-O 3.08Å; F324-L329 HydrophobicContact CB-CB 4.46Å; F324-L329 HydrophobicContact CB-CD1 3.92Å; F324-L329 HydrophobicContact CB-CG 4.19Å; F324-L329 HydrophobicContact CD1-CD1 3.75Å; F324-L329 HydrophobicContact CD2-CD1 4.43Å; F324-L329 HydrophobicContact CE1-CD1 4.34Å; F324-L329 HydrophobicContact CG-CD1 3.8Å; F324-C363 HydrophobicContact CE1-CB 4.11Å; F324-C363 WeakPolarHBondContact CE1-O 3.44Å; F324-C363 HydrophobicContact CE2-CB 4.33Å; F324-C363 HydrophobicContact CZ-CB 3.79Å; F324-I367 HydrophobicContact CD1-CD1 4.49Å; F324-I367 HydrophobicContact CD1-CG2 4.17Å; F324-I367 HydrophobicContact CE1-CB 4.47Å; F324-I367 HydrophobicContact CE1-CD1 3.56Å; F324-I367 HydrophobicContact CE1-CG1 3.94Å; F324-I367 HydrophobicContact CE1-CG2 3.71Å; F324-I367 HydrophobicContact CZ-CD1 3.69Å; F324-I367 HydrophobicContact CZ-CG1 4.29Å; F324-V371 HydrophobicContact CE2-CG2 3.51Å; F324-V371 HydrophobicContact CZ-CG2 3.73Å; F324-Y376 HydrophobicContact CD2-CD1 4.17Å; F324-Y376 HydrophobicContact CD2-CE1 4.02Å; F324-Y376 AromaticContact CE2-CD1 3.97Å; F324-Y376 HydrophobicContact CE2-CD1 3.97Å; F324-Y376 AromaticContact CE2-CE1 3.39Å; F324-Y376 HydrophobicContact CE2-CE1 3.39Å; F324-Y376 HydrophobicContact CE2-CE2 4.1Å; F324-Y376 AromaticContact CE2-CZ 3.46Å; F324-Y376 VanDerWaalsContact CE2-CZ 3.46Å; F324-Y376 HydrophobicContact CZ-CE1 4.14Å
325	P	90.4	Very high	91.7	Very high	28 Å²	28	23.5 Å²	23.5	18%	0.182	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	141.1	-175.3	-26.1	35.3	0	0	0	112.3	H327 I367 V371 L375	P325-H327 PolarHBondContact O-N 2.81Å; P325-I367 HydrophobicContact CB-CD1 4.5Å; P325-I367 WeakPolarHBondContact O-CG2 3.47Å; P325-V371 HydrophobicContact CG-CG1 4.25Å; P325-L375 HydrophobicContact CG-CD1 3.81Å; P325-L375 HydrophobicContact CG-CD2 4.31Å; P325-L375 HydrophobicContact CG-CG 4.47Å
326	S	86.9	Confident	90.2	Very high	85 Å²	85	27.2 Å²	27.2	59%	0.594	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	-18.6	-178.2	-56.7	0	0	0	0	117.1
327	H	92.7	Very high	88.6	Confident	18 Å²	18	35.6 Å²	35.6	8%	0.083	21%	0.209	C	C	.	.	S	Bend	trans	-151.6	111.1	-170.9	-159.3	78.9	0	0	0	110.6	P301 F324 P325 D350 F352 L366 I367	P301-H327 VanDerWaalsContact CG-CE1 3.42Å; P301-H327 WeakPolarHBondContact CG-CE1 3.31Å; P301-H327 VanDerWaalsContact CG-ND1 3.25Å; P301-H327 WeakPolarHBondContact CG-ND1 3.45Å; F324-H327 CarbonylContact C-O 3.56Å; F324-H327 VanDerWaalsContact CB-O 3.28Å; F324-H327 WeakPolarHBondContact CB-O 3.5Å; F324-H327 CarbonylContact O-C 3.58Å; F324-H327 PolarHBondContact O-N 2.98Å; F324-H327 VanDerWaalsContact O-O 3.08Å; P325-H327 PolarHBondContact O-N 2.81Å; H327-D350 IonicContact CD2-OD1 3.01Å; H327-D350 IonicContact CE1-OD1 2.7Å; H327-D350 IonicContact NE2-OD1 3.37Å; H327-D350 PolarHBondContact NE2-OD1 2.88Å; H327-D350 IonicContact NE2-OD2 3.21Å; H327-D350 PolarHBondContact NE2-OD2 3.19Å; H327-F352 AromaticContact CE1-CD1 3.61Å; H327-F352 AromaticContact CE1-CG 3.94Å; H327-L366 HydrophobicContact CB-CD2 3.49Å; H327-L366 VanDerWaalsContact CB-CD2 3.49Å; H327-I367 HydrophobicContact CB-CG2 4.36Å
328	F	96.3	Very high	86.9	Confident	3 Å²	3	39.7 Å²	39.7	1%	0.013	25%	0.251	C	S	.	.			trans	-76.4	132.6	-177.7	-167.2	-85.7	0	0	0	110.9	P301 I302 S305 P321 N323 L330 V379 V384 R387	P301-F328 HydrophobicContact CB-CB 4.14Å; I302-F328 HydrophobicContact CB-CB 4.01Å; I302-F328 HydrophobicContact CB-CD1 4.5Å; I302-F328 HydrophobicContact CB-CD2 4.39Å; I302-F328 HydrophobicContact CB-CG 4.07Å; I302-F328 HydrophobicContact CD1-CD2 3.9Å; I302-F328 HydrophobicContact CD1-CE2 3.98Å; I302-F328 HydrophobicContact CD1-CG 4.4Å; I302-F328 HydrophobicContact CG1-CD1 4.3Å; I302-F328 HydrophobicContact CG1-CD2 4.05Å; I302-F328 HydrophobicContact CG1-CE1 4.48Å; I302-F328 HydrophobicContact CG1-CE2 4.24Å; I302-F328 HydrophobicContact CG1-CG 4.05Å; I302-F328 HydrophobicContact CG1-CZ 4.43Å; S305-F328 PolarHBondContact OG-O 3.42Å; P321-F328 HydrophobicContact CB-CE1 3.86Å; P321-F328 HydrophobicContact CB-CZ 3.6Å; N323-F328 HydrophobicContact CB-CE2 4.35Å; F328-L330 HydrophobicContact CE1-CD2 4.45Å; F328-V379 HydrophobicContact CE2-CG2 4.25Å; F328-V379 HydrophobicContact CZ-CG2 4.29Å; F328-V384 HydrophobicContact CE2-CG2 4.22Å; F328-V384 HydrophobicContact CZ-CG1 4.41Å; F328-V384 HydrophobicContact CZ-CG2 3.84Å; F328-R387 HydrophobicContact CD2-CG 4.35Å
329	L	97.6	Very high	85.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	164.1	-174.2	-67.1	172.9	0	0	0	110.9	V322 F324 D350 L358 C363	V322-L329 HydrophobicContact CB-CB 4.37Å; V322-L329 PolarHBondContact N-O 2.94Å; V322-L329 PolarHBondContact O-N 3Å; V322-L329 VanDerWaalsContact O-N 3.12Å; F324-L329 HydrophobicContact CB-CB 4.46Å; F324-L329 HydrophobicContact CB-CD1 3.92Å; F324-L329 HydrophobicContact CB-CG 4.19Å; F324-L329 HydrophobicContact CD1-CD1 3.75Å; F324-L329 HydrophobicContact CD2-CD1 4.43Å; F324-L329 HydrophobicContact CE1-CD1 4.34Å; F324-L329 HydrophobicContact CG-CD1 3.8Å; L329-D350 HydrophobicContact CD2-CB 3.93Å; L329-L358 HydrophobicContact CD2-CD1 4.36Å; L329-C363 HydrophobicContact CD1-CB 4.29Å
330	L	97.6	Very high	84.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	154.2	161.5	-55	175.9	0	0	0	108.4	Y308 L309 L319 E320 P321 F328 Y348 I349	Y308-L330 HydrophobicContact CD1-CD1 3.71Å; Y308-L330 HydrophobicContact CG-CD1 4.3Å; L309-L330 HydrophobicContact CB-CD1 4.04Å; L309-L330 HydrophobicContact CB-CD2 4.07Å; L309-L330 HydrophobicContact CD2-CD2 4.4Å; L319-L330 HydrophobicContact CB-CB 4.47Å; L319-L330 HydrophobicContact CB-CD1 4.4Å; L319-L330 HydrophobicContact CD1-CD1 3.78Å; E320-L330 CarbonylContact O-C 3.55Å; E320-L330 WeakPolarHBondContact O-CA 3.3Å; P321-L330 HydrophobicContact CB-CD2 4.28Å; F328-L330 HydrophobicContact CE1-CD2 4.45Å; L330-Y348 CarbonylContact O-C 3.58Å; L330-Y348 VanDerWaalsContact O-CA 3.25Å; L330-Y348 WeakPolarHBondContact O-CA 3.44Å; L330-I349 HydrophobicContact CB-CB 4.29Å; L330-I349 PolarHBondContact N-O 3.27Å; L330-I349 VanDerWaalsContact N-O 3.12Å; L330-I349 PolarHBondContact O-N 3.4Å
331	R	95.4	Very high	83.8	Confident	30 Å²	30	46.3 Å²	46.3	11%	0.113	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.2	168.3	70.2	-178.9	-164.4	168.9	20.9	110.4	E320 V322 Y346 I347 Y348 Y376 V378	E320-R331 HydrophobicContact CB-CG 3.79Å; E320-R331 PolarHBondContact N-O 2.91Å; E320-R331 PolarHBondContact O-N 3.25Å; E320-R331 IonicContact OE1-NH2 3.63Å; E320-R331 IonicContact OE2-CZ 3.57Å; E320-R331 IonicContact OE2-NE 3.82Å; E320-R331 PolarHBondContact OE2-NE 2.92Å; E320-R331 IonicContact OE2-NH2 2.77Å; E320-R331 PolarHBondContact OE2-NH2 3.37Å; V322-R331 HydrophobicContact CG2-CB 3.78Å; V322-R331 HydrophobicContact CG2-CG 3.69Å; R331-Y346 HydrophobicContact CB-CD1 4.35Å; R331-Y346 HydrophobicContact CG-CD1 4.19Å; R331-Y346 PolarHBondContact NH2-OH 3.42Å; R331-I347 CarbonylContact C-O 3.49Å; R331-I347 WeakPolarHBondContact CA-O 3.24Å; R331-Y348 HydrophobicContact CB-CD1 3.75Å; R331-Y348 HydrophobicContact CB-CE1 3.71Å; R331-Y376 PolarHBondContact NH1-O 3.4Å; R331-V378 VanDerWaalsContact NE-CG2 3.34Å
332	W	94.7	Very high	83.2	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.1	-176.7	178.2	31.7	0	0	0	108.1	I255 Q258 L262 L319 Q334 Y346 I347 I349	I255-W332 HydrophobicContact CG2-CH2 4.03Å; I255-W332 HydrophobicContact CG2-CZ2 3.75Å; Q258-W332 HydrophobicContact CB-CZ2 3.85Å; L262-W332 HydrophobicContact CD1-CD2 3.77Å; L262-W332 HydrophobicContact CD1-CE3 3.62Å; L262-W332 HydrophobicContact CD1-CH2 3.87Å; L262-W332 HydrophobicContact CD1-CZ2 4.01Å; L262-W332 HydrophobicContact CD1-CZ3 3.66Å; L319-W332 HydrophobicContact CD2-CB 3.65Å; L319-W332 HydrophobicContact CD2-CG 3.88Å; W332-Q334 HydrophobicContact CD2-CG 4.26Å; W332-Q334 HydrophobicContact CE3-CG 4.36Å; W332-Q334 VanDerWaalsContact CH2-NE2 3.28Å; W332-Q334 HydrophobicContact CZ2-CG 4.47Å; W332-Y346 WeakPolarHBondContact O-CA 3.17Å; W332-I347 HydrophobicContact CE3-CB 4.16Å; W332-I347 HydrophobicContact CE3-CG2 4.22Å; W332-I347 PolarHBondContact N-O 2.91Å; W332-I347 PolarHBondContact O-N 3.48Å; W332-I349 HydrophobicContact CB-CD1 4.09Å
333	C	88.1	Confident	82.6	Confident	42 Å²	42	51.6 Å²	51.6	28%	0.284	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	125	179.6	-170	0	0	0	0	110.1	Y346	C333-Y346 HydrophobicContact CB-CD1 4.08Å; C333-Y346 HydrophobicContact CB-CE1 3.82Å
334	Q	78.7	Confident	82.2	Confident	74 Å²	74	55.6 Å²	55.6	35%	0.346	34%	0.342	S	S	.	.			trans	-112.2	5.3	172.2	-66.1	-170.9	-29.8	0	0	112.6	I255 W332 D345 I347	I255-Q334 HydrophobicContact CD1-CB 4.12Å; I255-Q334 WeakPolarHBondContact CD1-O 3.44Å; I255-Q334 HydrophobicContact CG2-CG 4.11Å; W332-Q334 HydrophobicContact CD2-CG 4.26Å; W332-Q334 HydrophobicContact CE3-CG 4.36Å; W332-Q334 VanDerWaalsContact CH2-NE2 3.28Å; W332-Q334 HydrophobicContact CZ2-CG 4.47Å; Q334-D345 PolarHBondContact N-O 3.39Å; Q334-I347 HydrophobicContact CG-CG1 4.26Å; Q334-I347 VanDerWaalsContact OE1-CG1 3.31Å
335	G	68.4	Low	81.7	Confident	29 Å²	29	59 Å²	59	30%	0.299	36%	0.36	S	S	.	.	S	Bend	trans	-81.1	157.7	-179.5	0	0	0	0	0	113.7
336	A	62.8	Low	81.7	Confident	79 Å²	79	59 Å²	59	65%	0.653	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-70	142.5	173.9	0	0	0	0	0	111.7	G338 A339	A336-G338 PolarHBondContact O-N 2.99Å; A336-A339 PolarHBondContact O-N 3.19Å
337	E	57.7	Low	82.1	Confident	178 Å²	178	56.4 Å²	56.4	83%	0.832	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	127.3	176.1	-78.9	-176.4	155.5	0	0	111.5
338	G	58.2	Low	82.3	Confident	87 Å²	87	55.5 Å²	55.5	90%	0.897	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	0.5	176.8	0	0	0	0	0	116.3	A336	A336-G338 PolarHBondContact O-N 2.99Å
339	A	64.6	Low	82.4	Confident	56 Å²	56	55.4 Å²	55.4	46%	0.463	33%	0.331	S	S	.	.	S	Bend	trans	-74.2	147.5	170.9	0	0	0	0	0	111.9	A336 L341	A336-A339 PolarHBondContact O-N 3.19Å; A339-L341 HydrophobicContact CB-CD2 4.43Å; A339-L341 PolarHBondContact O-N 2.86Å; A339-L341 VanDerWaalsContact O-N 3.08Å
340	T	70.5	Confident	82.4	Confident	143 Å²	143	55.8 Å²	55.8	88%	0.877	33%	0.333	S	S	*	.			trans	-70.1	100.6	163.4	45.4	0	0	0	0	108.5
341	L	77.8	Confident	82.3	Confident	68 Å²	68	55.8 Å²	55.8	36%	0.356	33%	0.333	S	S	.	.			trans	-77.2	131.7	-177	-61.2	169.1	0	0	0	111.3	A339 D345 Y346	A339-L341 HydrophobicContact CB-CD2 4.43Å; A339-L341 PolarHBondContact O-N 2.86Å; A339-L341 VanDerWaalsContact O-N 3.08Å; L341-D345 WeakPolarHBondContact CA-OD2 3.43Å; L341-D345 HydrophobicContact CD2-CB 4Å; L341-Y346 HydrophobicContact CB-CE2 3.96Å; L341-Y346 HydrophobicContact CD1-CE1 4.49Å; L341-Y346 WeakPolarHBondContact CD1-OH 3.22Å
342	D	83.4	Confident	82.4	Confident	84 Å²	84	54.8 Å²	54.8	45%	0.449	33%	0.33	S	S	.	.			trans	-103.5	166.2	167.7	-168.6	12.3	0	0	0	110.4	F344 D345 Y346	D342-F344 PolarHBondContact O-N 3.42Å; D342-F344 WeakPolarHBondContact OD2-CD2 3.46Å; D342-D345 PolarHBondContact N-OD2 2.99Å; D342-D345 WeakPolarHBondContact O-CB 3.15Å; D342-D345 PolarHBondContact O-N 3.07Å; D342-Y346 VanDerWaalsContact O-CD2 3.26Å; D342-Y346 WeakPolarHBondContact O-CD2 3.42Å; D342-Y346 WeakPolarHBondContact O-CE2 3.17Å
343	I	83.9	Confident	82.4	Confident	28 Å²	28	55.8 Å²	55.8	14%	0.144	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-57.6	-22.1	179.3	63	172	0	0	0	113.3	Y348 V360 A373 Y376	I343-Y348 PolarHBondContact O-OH 3.21Å; I343-V360 HydrophobicContact CB-CG2 4.24Å; I343-V360 HydrophobicContact CD1-CG1 3.99Å; I343-V360 HydrophobicContact CD1-CG2 4.19Å; I343-V360 HydrophobicContact CG1-CG2 4.07Å; I343-V360 VanDerWaalsContact O-CG2 3.31Å; I343-V360 WeakPolarHBondContact O-CG2 3.44Å; I343-A373 HydrophobicContact CD1-CB 4.14Å; I343-A373 HydrophobicContact CG2-CB 4.09Å; I343-Y376 HydrophobicContact CD1-CD2 4.37Å; I343-Y376 HydrophobicContact CD1-CE2 4.47Å; I343-Y376 HydrophobicContact CG2-CG 4.49Å
344	F	85.6	Confident	82.8	Confident	134 Å²	134	60 Å²	60	59%	0.588	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-82.6	-11.4	178.1	-58.8	-73.9	0	0	0	113.8	D342 V360	D342-F344 PolarHBondContact O-N 3.42Å; D342-F344 WeakPolarHBondContact OD2-CD2 3.46Å; F344-V360 HydrophobicContact CD1-CB 4.02Å; F344-V360 HydrophobicContact CD1-CG2 3.74Å; F344-V360 HydrophobicContact CE1-CB 3.8Å; F344-V360 HydrophobicContact CE1-CG1 3.96Å; F344-V360 HydrophobicContact CE1-CG2 3.92Å; F344-V360 HydrophobicContact CG-CG2 4.46Å; F344-V360 HydrophobicContact CZ-CG1 4.49Å
345	D	84.9	Confident	83.6	Confident	72 Å²	72	56.6 Å²	56.6	39%	0.385	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-84.7	-1	175.8	-59.4	-44.7	0	0	0	112.6	Q334 L341 D342	Q334-D345 PolarHBondContact N-O 3.39Å; L341-D345 WeakPolarHBondContact CA-OD2 3.43Å; L341-D345 HydrophobicContact CD2-CB 4Å; D342-D345 PolarHBondContact N-OD2 2.99Å; D342-D345 WeakPolarHBondContact O-CB 3.15Å; D342-D345 PolarHBondContact O-N 3.07Å
346	Y	90.4	Very high	85	Confident	27 Å²	27	60.4 Å²	60.4	11%	0.106	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143	179.2	-63	-85.9	0	0	0	111.7	R331 W332 C333 L341 D342	R331-Y346 HydrophobicContact CB-CD1 4.35Å; R331-Y346 HydrophobicContact CG-CD1 4.19Å; R331-Y346 PolarHBondContact NH2-OH 3.42Å; W332-Y346 WeakPolarHBondContact O-CA 3.17Å; C333-Y346 HydrophobicContact CB-CD1 4.08Å; C333-Y346 HydrophobicContact CB-CE1 3.82Å; L341-Y346 HydrophobicContact CB-CE2 3.96Å; L341-Y346 HydrophobicContact CD1-CE1 4.49Å; L341-Y346 WeakPolarHBondContact CD1-OH 3.22Å; D342-Y346 VanDerWaalsContact O-CD2 3.26Å; D342-Y346 WeakPolarHBondContact O-CD2 3.42Å; D342-Y346 WeakPolarHBondContact O-CE2 3.17Å
347	I	94.9	Very high	86.6	Confident	31 Å²	31	60 Å²	60	16%	0.159	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.3	163.4	-65	-62	0	0	0	108.5	R331 W332 Q334 Q357	R331-I347 CarbonylContact C-O 3.49Å; R331-I347 WeakPolarHBondContact CA-O 3.24Å; W332-I347 HydrophobicContact CE3-CB 4.16Å; W332-I347 HydrophobicContact CE3-CG2 4.22Å; W332-I347 PolarHBondContact N-O 2.91Å; W332-I347 PolarHBondContact O-N 3.48Å; Q334-I347 HydrophobicContact CG-CG1 4.26Å; Q334-I347 VanDerWaalsContact OE1-CG1 3.31Å; I347-Q357 HydrophobicContact CG2-CB 3.58Å; I347-Q357 HydrophobicContact CG2-CG 3.84Å
348	Y	96.6	Very high	88.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.8	177.2	-60.8	-88.5	0	0	0	110.2	V322 L330 R331 I343 Q357 L358 V360 C363 Y376	V322-Y348 HydrophobicContact CG2-CD1 4.42Å; V322-Y348 HydrophobicContact CG2-CE1 4.27Å; L330-Y348 CarbonylContact O-C 3.58Å; L330-Y348 VanDerWaalsContact O-CA 3.25Å; L330-Y348 WeakPolarHBondContact O-CA 3.44Å; R331-Y348 HydrophobicContact CB-CD1 3.75Å; R331-Y348 HydrophobicContact CB-CE1 3.71Å; I343-Y348 PolarHBondContact O-OH 3.21Å; Y348-Q357 CarbonylContact O-C 3.54Å; Y348-Q357 WeakPolarHBondContact O-CA 3.26Å; Y348-L358 PolarHBondContact N-O 2.96Å; Y348-L358 PolarHBondContact O-N 3.48Å; Y348-V360 HydrophobicContact CE2-CG2 3.86Å; Y348-C363 VanDerWaalsContact CB-SG 3.54Å; Y348-Y376 HydrophobicContact CD1-CD1 4.29Å; Y348-Y376 AromaticContact CE1-CD1 3.59Å; Y348-Y376 HydrophobicContact CE1-CD1 3.59Å; Y348-Y376 HydrophobicContact CE1-CG 4.35Å; Y348-Y376 AromaticContact CE2-CD1 3.98Å; Y348-Y376 HydrophobicContact CE2-CD1 3.98Å; Y348-Y376 HydrophobicContact CE2-CE1 4.38Å; Y348-Y376 AromaticContact CZ-CD1 3.42Å; Y348-Y376 VanDerWaalsContact CZ-CD1 3.42Å; Y348-Y376 WeakPolarHBondContact OH-CB 3.49Å
349	I	97.9	Very high	90.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.4	-177.3	-58.2	176.8	0	0	0	109.1	L262 Y308 L319 L330 W332	L262-I349 HydrophobicContact CD1-CD1 4.02Å; L262-I349 HydrophobicContact CD2-CD1 4.06Å; Y308-I349 HydrophobicContact CD1-CG2 4.49Å; Y308-I349 HydrophobicContact CE1-CD1 4.33Å; Y308-I349 HydrophobicContact CE1-CG2 4Å; L319-I349 HydrophobicContact CD1-CD1 4.09Å; L319-I349 HydrophobicContact CD2-CD1 3.71Å; L330-I349 HydrophobicContact CB-CB 4.29Å; L330-I349 PolarHBondContact N-O 3.27Å; L330-I349 VanDerWaalsContact N-O 3.12Å; L330-I349 PolarHBondContact O-N 3.4Å; W332-I349 HydrophobicContact CB-CD1 4.09Å
350	D	97.4	Very high	91.3	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.043	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	90.6	171.2	179	10.8	0	0	0	111	H327 L329 F352 G353 G355 K356 L358	H327-D350 IonicContact CD2-OD1 3.01Å; H327-D350 IonicContact CE1-OD1 2.7Å; H327-D350 IonicContact NE2-OD1 3.37Å; H327-D350 PolarHBondContact NE2-OD1 2.88Å; H327-D350 IonicContact NE2-OD2 3.21Å; H327-D350 PolarHBondContact NE2-OD2 3.19Å; L329-D350 HydrophobicContact CD2-CB 3.93Å; D350-F352 PolarHBondContact O-N 3.32Å; D350-F352 WeakPolarHBondContact OD1-CA 3.43Å; D350-F352 WeakPolarHBondContact OD1-CB 3.34Å; D350-F352 PolarHBondContact OD1-N 3.48Å; D350-G353 CarbonylContact O-C 3.59Å; D350-G353 PolarHBondContact O-N 2.81Å; D350-G353 VanDerWaalsContact O-N 3.15Å; D350-G353 PolarHBondContact OD1-N 3.3Å; D350-G353 VanDerWaalsContact OD2-CA 3.23Å; D350-G353 WeakPolarHBondContact OD2-CA 3.27Å; D350-G353 PolarHBondContact OD2-N 2.86Å; D350-G355 VanDerWaalsContact O-CA 3.28Å; D350-G355 WeakPolarHBondContact O-CA 3.34Å; D350-G355 PolarHBondContact O-N 3.48Å; D350-K356 PolarHBondContact N-O 2.77Å; D350-K356 PolarHBondContact O-N 3.41Å; D350-L358 HydrophobicContact CB-CD1 3.88Å
351	A	97.3	Very high	92.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.3	176.5	0	0	0	0	0	113.5	Y270 M304 Y308	Y270-A351 WeakPolarHBondContact CE1-O 3.47Å; Y270-A351 WeakPolarHBondContact OH-CA 3.31Å; Y270-A351 PolarHBondContact OH-O 3.44Å; M304-A351 HydrophobicContact CB-CB 4.25Å; Y308-A351 HydrophobicContact CD2-CB 4.05Å; Y308-A351 HydrophobicContact CG-CB 4Å
352	F	96.7	Very high	93	Very high	9 Å²	9	49.4 Å²	49.4	4%	0.039	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-33.3	174.1	-180	-90.7	0	0	0	111.8	R279 Y282 G299 P301 M304 H327 D350 K354	R279-F352 HydrophobicContact CG-CE1 3.96Å; R279-F352 HydrophobicContact CG-CZ 3.79Å; R279-F352 VanDerWaalsContact CZ-CE1 3.46Å; Y282-F352 HydrophobicContact CD2-CE2 4.45Å; Y282-F352 HydrophobicContact CD2-CZ 4.25Å; Y282-F352 HydrophobicContact CE2-CE2 4.32Å; Y282-F352 HydrophobicContact CE2-CZ 4.26Å; G299-F352 WeakPolarHBondContact O-CE2 3.5Å; P301-F352 HydrophobicContact CB-CB 4.29Å; P301-F352 HydrophobicContact CG-CB 4.13Å; P301-F352 HydrophobicContact CG-CD1 4.43Å; P301-F352 HydrophobicContact CG-CD2 3.92Å; P301-F352 HydrophobicContact CG-CE2 4.38Å; P301-F352 HydrophobicContact CG-CG 3.94Å; M304-F352 HydrophobicContact CG-CD2 4.41Å; H327-F352 AromaticContact CE1-CD1 3.61Å; H327-F352 AromaticContact CE1-CG 3.94Å; D350-F352 PolarHBondContact O-N 3.32Å; D350-F352 WeakPolarHBondContact OD1-CA 3.43Å; D350-F352 WeakPolarHBondContact OD1-CB 3.34Å; D350-F352 PolarHBondContact OD1-N 3.48Å; F352-K354 VanDerWaalsContact C-N 3.27Å; F352-K354 PolarHBondContact O-N 2.87Å
353	G	95.6	Very high	93.5	Very high	22 Å²	22	45.4 Å²	45.4	23%	0.227	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	29.3	174.4	0	0	0	0	0	114.7	D350	D350-G353 CarbonylContact O-C 3.59Å; D350-G353 PolarHBondContact O-N 2.81Å; D350-G353 VanDerWaalsContact O-N 3.15Å; D350-G353 PolarHBondContact OD1-N 3.3Å; D350-G353 VanDerWaalsContact OD2-CA 3.23Å; D350-G353 WeakPolarHBondContact OD2-CA 3.27Å; D350-G353 PolarHBondContact OD2-N 2.86Å
354	K	96.1	Very high	93.8	Very high	132 Å²	132	45.4 Å²	45.4	57%	0.574	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	38.3	179.7	-52.3	-178.1	178.2	-175	0	114.9	Y270 F352 K356	Y270-K354 HydrophobicContact CD1-CB 4.16Å; Y270-K354 HydrophobicContact CD1-CG 4.15Å; Y270-K354 HydrophobicContact CD2-CB 3.86Å; Y270-K354 VanDerWaalsContact CE2-CA 3.47Å; Y270-K354 HydrophobicContact CE2-CB 4.28Å; Y270-K354 WeakPolarHBondContact CE2-O 3.46Å; Y270-K354 HydrophobicContact CG-CB 3.82Å; Y270-K354 HydrophobicContact CG-CG 4.11Å; F352-K354 VanDerWaalsContact C-N 3.27Å; F352-K354 PolarHBondContact O-N 2.87Å; K354-K356 VanDerWaalsContact C-N 3.26Å; K354-K356 PolarHBondContact O-N 3.4Å
355	G	95.9	Very high	94.1	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	69.5	24.8	177.7	0	0	0	0	0	113.3	N266 D350 Q357	N266-G355 WeakPolarHBondContact OD1-CA 3.49Å; D350-G355 VanDerWaalsContact O-CA 3.28Å; D350-G355 WeakPolarHBondContact O-CA 3.34Å; D350-G355 PolarHBondContact O-N 3.48Å; G355-Q357 PolarHBondContact O-N 2.96Å
356	K	96.4	Very high	94.3	Very high	109 Å²	109	48.2 Å²	48.2	47%	0.474	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	127.7	178.7	-173.8	177.4	173.8	-159.8	0	109.1	D350 K354 L358 E362	D350-K356 PolarHBondContact N-O 2.77Å; D350-K356 PolarHBondContact O-N 3.41Å; K354-K356 VanDerWaalsContact C-N 3.26Å; K354-K356 PolarHBondContact O-N 3.4Å; K356-L358 HydrophobicContact CB-CD2 4.49Å; K356-L358 HydrophobicContact CD-CD2 3.64Å; K356-L358 HydrophobicContact CG-CD2 3.77Å; K356-L358 HydrophobicContact CG-CG 4.44Å; K356-E362 IonicContact NZ-OE1 3.74Å
357	Q	96.1	Very high	94.2	Very high	69 Å²	69	48.4 Å²	48.4	32%	0.322	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.2	172	-66.6	-178.4	27	0	0	108.9	I347 Y348 G355	I347-Q357 HydrophobicContact CG2-CB 3.58Å; I347-Q357 HydrophobicContact CG2-CG 3.84Å; Y348-Q357 CarbonylContact O-C 3.54Å; Y348-Q357 WeakPolarHBondContact O-CA 3.26Å; G355-Q357 PolarHBondContact O-N 2.96Å
358	L	95.5	Very high	93.8	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.1	-170.5	-58.3	175.4	0	0	0	109.9	L329 Y348 D350 K356 E362 L366	L329-L358 HydrophobicContact CD2-CD1 4.36Å; Y348-L358 PolarHBondContact N-O 2.96Å; Y348-L358 PolarHBondContact O-N 3.48Å; D350-L358 HydrophobicContact CB-CD1 3.88Å; K356-L358 HydrophobicContact CB-CD2 4.49Å; K356-L358 HydrophobicContact CD-CD2 3.64Å; K356-L358 HydrophobicContact CG-CD2 3.77Å; K356-L358 HydrophobicContact CG-CG 4.44Å; L358-E362 HydrophobicContact CB-CB 4.14Å; L358-E362 HydrophobicContact CD2-CB 3.91Å; L358-L366 HydrophobicContact CD1-CD1 3.94Å
359	T	94	Very high	93.4	Very high	67 Å²	67	55.2 Å²	55.2	41%	0.411	28%	0.278	S	S	.	.			trans	-78.2	165.3	162.8	61.8	0	0	0	0	110.8	K361 E362 C363	T359-K361 VanDerWaalsContact C-N 3.26Å; T359-K361 PolarHBondContact O-N 3.47Å; T359-E362 PolarHBondContact N-OE2 3.07Å; T359-E362 PolarHBondContact O-N 3.31Å; T359-E362 WeakPolarHBondContact OG1-CG 3.31Å; T359-E362 PolarHBondContact OG1-OE2 2.98Å; T359-C363 PolarHBondContact O-N 3.28Å; T359-C363 PolarHBondContact O-SG 3.26Å; T359-C363 VanDerWaalsContact O-SG 3.41Å
360	V	91.1	Very high	92.8	Very high	8 Å²	8	63 Å²	63	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-48.4	-47	174.4	175.9	0	0	0	0	112	I343 F344 Y348 E362 C363 E364 Y376	I343-V360 HydrophobicContact CB-CG2 4.24Å; I343-V360 HydrophobicContact CD1-CG1 3.99Å; I343-V360 HydrophobicContact CD1-CG2 4.19Å; I343-V360 HydrophobicContact CG1-CG2 4.07Å; I343-V360 VanDerWaalsContact O-CG2 3.31Å; I343-V360 WeakPolarHBondContact O-CG2 3.44Å; F344-V360 HydrophobicContact CD1-CB 4.02Å; F344-V360 HydrophobicContact CD1-CG2 3.74Å; F344-V360 HydrophobicContact CE1-CB 3.8Å; F344-V360 HydrophobicContact CE1-CG1 3.96Å; F344-V360 HydrophobicContact CE1-CG2 3.92Å; F344-V360 HydrophobicContact CG-CG2 4.46Å; F344-V360 HydrophobicContact CZ-CG1 4.49Å; Y348-V360 HydrophobicContact CE2-CG2 3.86Å; V360-E362 VanDerWaalsContact C-N 3.31Å; V360-E362 PolarHBondContact O-N 3.38Å; V360-C363 WeakPolarHBondContact O-CB 3.31Å; V360-C363 PolarHBondContact O-N 2.9Å; V360-E364 PolarHBondContact O-N 2.98Å; V360-E364 VanDerWaalsContact O-N 3.16Å; V360-Y376 HydrophobicContact CG1-CE1 4.23Å; V360-Y376 HydrophobicContact CG1-CE2 4.22Å; V360-Y376 PolarHBondContact O-OH 3.1Å
361	K	90.5	Very high	92.3	Very high	159 Å²	159	63.9 Å²	63.9	69%	0.691	32%	0.319	S	S	*	.	H	α-helix	trans	-63.8	-35.7	179.7	-68.3	-176	-179.7	177.9	0	112.7	T359 E364 Y365	T359-K361 VanDerWaalsContact C-N 3.26Å; T359-K361 PolarHBondContact O-N 3.47Å; K361-E364 PolarHBondContact O-N 3.33Å; K361-Y365 PolarHBondContact O-N 3.27Å
362	E	93.8	Very high	91.9	Very high	72 Å²	72	68.3 Å²	68.3	34%	0.336	35%	0.347	S	S	.	.	H	α-helix	trans	-74.5	-30.5	178.1	-67.5	172.5	110.1	0	0	112.2	K356 L358 T359 V360 Y365 L366	K356-E362 IonicContact NZ-OE1 3.74Å; L358-E362 HydrophobicContact CB-CB 4.14Å; L358-E362 HydrophobicContact CD2-CB 3.91Å; T359-E362 PolarHBondContact N-OE2 3.07Å; T359-E362 PolarHBondContact O-N 3.31Å; T359-E362 WeakPolarHBondContact OG1-CG 3.31Å; T359-E362 PolarHBondContact OG1-OE2 2.98Å; V360-E362 VanDerWaalsContact C-N 3.31Å; V360-E362 PolarHBondContact O-N 3.38Å; E362-Y365 PolarHBondContact O-N 3.21Å; E362-L366 PolarHBondContact O-N 2.77Å
363	C	92.4	Very high	91.4	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.007	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-44	169.5	-65.1	0	0	0	0	111.3	F324 L329 Y348 T359 V360 L366 I367 Y376	F324-C363 HydrophobicContact CE1-CB 4.11Å; F324-C363 WeakPolarHBondContact CE1-O 3.44Å; F324-C363 HydrophobicContact CE2-CB 4.33Å; F324-C363 HydrophobicContact CZ-CB 3.79Å; L329-C363 HydrophobicContact CD1-CB 4.29Å; Y348-C363 VanDerWaalsContact CB-SG 3.54Å; T359-C363 PolarHBondContact O-N 3.28Å; T359-C363 PolarHBondContact O-SG 3.26Å; T359-C363 VanDerWaalsContact O-SG 3.41Å; V360-C363 WeakPolarHBondContact O-CB 3.31Å; V360-C363 PolarHBondContact O-N 2.9Å; C363-L366 WeakPolarHBondContact O-CB 3.47Å; C363-L366 PolarHBondContact O-N 2.86Å; C363-I367 PolarHBondContact O-N 3.48Å; C363-Y376 HydrophobicContact CB-CE1 3.96Å
364	E	91.2	Very high	91.1	Very high	27 Å²	27	73.6 Å²	73.6	13%	0.126	39%	0.39	C	S	.	.	H	α-helix	trans	-65.2	-39.5	176.1	-63	-175.5	133.8	0	0	112	V360 K361 L366 I367 G368 Q369 H370 V371 Y376	V360-E364 PolarHBondContact O-N 2.98Å; V360-E364 VanDerWaalsContact O-N 3.16Å; K361-E364 PolarHBondContact O-N 3.33Å; E364-L366 VanDerWaalsContact C-N 3.28Å; E364-L366 PolarHBondContact O-N 3.17Å; E364-I367 WeakPolarHBondContact O-CG1 3.32Å; E364-I367 PolarHBondContact O-N 2.94Å; E364-G368 PolarHBondContact O-N 3.05Å; E364-Q369 PolarHBondContact O-N 3.12Å; E364-H370 WeakPolarHBondContact OE1-CA 2.98Å; E364-H370 IonicContact OE1-CG 2.63Å; E364-H370 IonicContact OE1-ND1 3.32Å; E364-H370 PolarHBondContact OE1-ND1 3.12Å; E364-H370 VanDerWaalsContact OE1-ND1 3.16Å; E364-H370 IonicContact OE2-CE1 3.66Å; E364-H370 PolarHBondContact OE2-CE1 3.42Å; E364-H370 VanDerWaalsContact OE2-CE1 3.32Å; E364-H370 IonicContact OE2-ND1 2.79Å; E364-H370 PolarHBondContact OE2-ND1 3.37Å; E364-V371 HydrophobicContact CG-CG2 4.33Å; E364-V371 PolarHBondContact OE1-N 3.35Å; E364-V371 VanDerWaalsContact OE1-N 3.16Å; E364-Y376 VanDerWaalsContact CG-OH 3.27Å; E364-Y376 WeakPolarHBondContact CG-OH 3.25Å
365	Y	91.6	Very high	90.7	Very high	203 Å²	203	70.6 Å²	70.6	80%	0.796	38%	0.379	S	S	*	.	H	α-helix	trans	-61.4	-37	174.1	-178.3	-99.4	0	0	0	112.3	K361 E362 I367 G368	K361-Y365 PolarHBondContact O-N 3.27Å; E362-Y365 PolarHBondContact O-N 3.21Å; Y365-I367 PolarHBondContact O-N 3.24Å; Y365-G368 PolarHBondContact O-N 2.7Å
366	L	88.5	Confident	90.5	Very high	62 Å²	62	70.5 Å²	70.5	33%	0.325	38%	0.379	S	S	.	.	H	α-helix	trans	-61	-34	179	-172.9	148.5	0	0	0	112.4	H327 L358 E362 C363 E364	H327-L366 HydrophobicContact CB-CD2 3.49Å; H327-L366 VanDerWaalsContact CB-CD2 3.49Å; L358-L366 HydrophobicContact CD1-CD1 3.94Å; E362-L366 PolarHBondContact O-N 2.77Å; C363-L366 WeakPolarHBondContact O-CB 3.47Å; C363-L366 PolarHBondContact O-N 2.86Å; E364-L366 VanDerWaalsContact C-N 3.28Å; E364-L366 PolarHBondContact O-N 3.17Å
367	I	88.8	Confident	90.3	Very high	32 Å²	32	66.6 Å²	66.6	16%	0.164	37%	0.369	C	S	.	.	H	α-helix	trans	-103.2	-8.7	-179.2	63.3	167.7	0	0	0	113.8	F324 P325 H327 C363 E364 Y365 Q369 V371	F324-I367 HydrophobicContact CD1-CD1 4.49Å; F324-I367 HydrophobicContact CD1-CG2 4.17Å; F324-I367 HydrophobicContact CE1-CB 4.47Å; F324-I367 HydrophobicContact CE1-CD1 3.56Å; F324-I367 HydrophobicContact CE1-CG1 3.94Å; F324-I367 HydrophobicContact CE1-CG2 3.71Å; F324-I367 HydrophobicContact CZ-CD1 3.69Å; F324-I367 HydrophobicContact CZ-CG1 4.29Å; P325-I367 HydrophobicContact CB-CD1 4.5Å; P325-I367 WeakPolarHBondContact O-CG2 3.47Å; H327-I367 HydrophobicContact CB-CG2 4.36Å; C363-I367 PolarHBondContact O-N 3.48Å; E364-I367 WeakPolarHBondContact O-CG1 3.32Å; E364-I367 PolarHBondContact O-N 2.94Å; Y365-I367 PolarHBondContact O-N 3.24Å; I367-Q369 VanDerWaalsContact C-N 3.32Å; I367-Q369 HydrophobicContact CB-CG 4.42Å; I367-Q369 HydrophobicContact CD1-CG 3.52Å; I367-Q369 HydrophobicContact CG1-CG 3.79Å; I367-Q369 PolarHBondContact O-N 3.01Å; I367-V371 HydrophobicContact CD1-CG1 3.69Å
368	G	86.9	Confident	90.1	Very high	70 Å²	70	66.3 Å²	66.3	72%	0.722	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	20.5	179	0	0	0	0	0	114.9	E364 Y365	E364-G368 PolarHBondContact O-N 3.05Å; Y365-G368 PolarHBondContact O-N 2.7Å
369	Q	87.1	Confident	90	Very high	104 Å²	104	67 Å²	67	49%	0.486	38%	0.377	S	S	.	.	S	Bend	trans	-151.3	148.8	-179.7	63	179.9	11	0	0	112	E364 I367 V371	E364-Q369 PolarHBondContact O-N 3.12Å; I367-Q369 VanDerWaalsContact C-N 3.32Å; I367-Q369 HydrophobicContact CB-CG 4.42Å; I367-Q369 HydrophobicContact CD1-CG 3.52Å; I367-Q369 HydrophobicContact CG1-CG 3.79Å; I367-Q369 PolarHBondContact O-N 3.01Å; Q369-V371 HydrophobicContact CG-CG1 4.36Å
370	H	86.7	Confident	89.9	Confident	162 Å²	162	66 Å²	66	75%	0.75	37%	0.369	S	S	*	.			trans	-76.8	143.6	172.3	-71.6	-65.6	0	0	0	111.4	E364	E364-H370 WeakPolarHBondContact OE1-CA 2.98Å; E364-H370 IonicContact OE1-CG 2.63Å; E364-H370 IonicContact OE1-ND1 3.32Å; E364-H370 PolarHBondContact OE1-ND1 3.12Å; E364-H370 VanDerWaalsContact OE1-ND1 3.16Å; E364-H370 IonicContact OE2-CE1 3.66Å; E364-H370 PolarHBondContact OE2-CE1 3.42Å; E364-H370 VanDerWaalsContact OE2-CE1 3.32Å; E364-H370 IonicContact OE2-ND1 2.79Å; E364-H370 PolarHBondContact OE2-ND1 3.37Å
371	V	86.8	Confident	89.9	Confident	27 Å²	27	66.1 Å²	66.1	16%	0.164	37%	0.369	C	S	.	.			trans	-136.7	156.9	-176.8	-68.1	0	0	0	0	111.9	F324 P325 E364 I367 Q369 L375 Y376	F324-V371 HydrophobicContact CE2-CG2 3.51Å; F324-V371 HydrophobicContact CZ-CG2 3.73Å; P325-V371 HydrophobicContact CG-CG1 4.25Å; E364-V371 HydrophobicContact CG-CG2 4.33Å; E364-V371 PolarHBondContact OE1-N 3.35Å; E364-V371 VanDerWaalsContact OE1-N 3.16Å; I367-V371 HydrophobicContact CD1-CG1 3.69Å; Q369-V371 HydrophobicContact CG-CG1 4.36Å; V371-L375 HydrophobicContact CB-CD1 3.78Å; V371-L375 HydrophobicContact CG1-CD1 4.06Å; V371-Y376 HydrophobicContact CG2-CE2 3.7Å
372	T	88.6	Confident	90	Very high	94 Å²	94	61.7 Å²	61.7	58%	0.577	35%	0.35	S	S	*	.			trans	-75	151.8	-178.3	59	0	0	0	0	112	A374 L375	T372-A374 PolarHBondContact O-N 2.89Å; T372-L375 PolarHBondContact O-N 3.47Å
373	A	86.9	Confident	89.9	Confident	55 Å²	55	63 Å²	63	46%	0.455	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-52.9	-31.2	178.3	0	0	0	0	0	113.4	I343 L375 Y376	I343-A373 HydrophobicContact CD1-CB 4.14Å; I343-A373 HydrophobicContact CG2-CB 4.09Å; A373-L375 PolarHBondContact O-N 2.94Å; A373-Y376 WeakPolarHBondContact O-CB 3.31Å; A373-Y376 PolarHBondContact O-N 2.93Å; A373-Y376 VanDerWaalsContact O-N 3.09Å
374	A	87.9	Confident	90	Very high	86 Å²	86	63 Å²	63	71%	0.711	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-59	-27.4	177.9	0	0	0	0	0	113.8	T372 Y376 G377	T372-A374 PolarHBondContact O-N 2.89Å; A374-Y376 PolarHBondContact O-N 3.3Å; A374-G377 PolarHBondContact O-N 2.87Å
375	L	88.8	Confident	90.2	Very high	69 Å²	69	61.7 Å²	61.7	36%	0.361	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-78.9	-6	-179.6	-68.8	169	0	0	0	113.6	V322 P325 V371 T372 A373	V322-L375 WeakPolarHBondContact CG1-O 3.4Å; P325-L375 HydrophobicContact CG-CD1 3.81Å; P325-L375 HydrophobicContact CG-CD2 4.31Å; P325-L375 HydrophobicContact CG-CG 4.47Å; V371-L375 HydrophobicContact CB-CD1 3.78Å; V371-L375 HydrophobicContact CG1-CD1 4.06Å; T372-L375 PolarHBondContact O-N 3.47Å; A373-L375 PolarHBondContact O-N 2.94Å
376	Y	91.4	Very high	90.2	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-97.5	2.3	174.9	-64.9	-86.9	0	0	0	113.5	F324 R331 I343 Y348 V360 C363 E364 V371 A373 A374	F324-Y376 HydrophobicContact CD2-CD1 4.17Å; F324-Y376 HydrophobicContact CD2-CE1 4.02Å; F324-Y376 AromaticContact CE2-CD1 3.97Å; F324-Y376 HydrophobicContact CE2-CD1 3.97Å; F324-Y376 AromaticContact CE2-CE1 3.39Å; F324-Y376 HydrophobicContact CE2-CE1 3.39Å; F324-Y376 HydrophobicContact CE2-CE2 4.1Å; F324-Y376 AromaticContact CE2-CZ 3.46Å; F324-Y376 VanDerWaalsContact CE2-CZ 3.46Å; F324-Y376 HydrophobicContact CZ-CE1 4.14Å; R331-Y376 PolarHBondContact NH1-O 3.4Å; I343-Y376 HydrophobicContact CD1-CD2 4.37Å; I343-Y376 HydrophobicContact CD1-CE2 4.47Å; I343-Y376 HydrophobicContact CG2-CG 4.49Å; Y348-Y376 HydrophobicContact CD1-CD1 4.29Å; Y348-Y376 AromaticContact CE1-CD1 3.59Å; Y348-Y376 HydrophobicContact CE1-CD1 3.59Å; Y348-Y376 HydrophobicContact CE1-CG 4.35Å; Y348-Y376 AromaticContact CE2-CD1 3.98Å; Y348-Y376 HydrophobicContact CE2-CD1 3.98Å; Y348-Y376 HydrophobicContact CE2-CE1 4.38Å; Y348-Y376 AromaticContact CZ-CD1 3.42Å; Y348-Y376 VanDerWaalsContact CZ-CD1 3.42Å; Y348-Y376 WeakPolarHBondContact OH-CB 3.49Å; V360-Y376 HydrophobicContact CG1-CE1 4.23Å; V360-Y376 HydrophobicContact CG1-CE2 4.22Å; V360-Y376 PolarHBondContact O-OH 3.1Å; C363-Y376 HydrophobicContact CB-CE1 3.96Å; E364-Y376 VanDerWaalsContact CG-OH 3.27Å; E364-Y376 WeakPolarHBondContact CG-OH 3.25Å; V371-Y376 HydrophobicContact CG2-CE2 3.7Å; A373-Y376 WeakPolarHBondContact O-CB 3.31Å; A373-Y376 PolarHBondContact O-N 2.93Å; A373-Y376 VanDerWaalsContact O-N 3.09Å; A374-Y376 PolarHBondContact O-N 3.3Å
377	G	90.8	Very high	90.5	Very high	27 Å²	27	54.2 Å²	54.2	28%	0.278	32%	0.316	S	S	.	.	S	Bend	trans	-70.7	156.2	178.9	0	0	0	0	0	113.4	A374	A374-G377 PolarHBondContact O-N 2.87Å
378	V	92.4	Very high	90.7	Very high	63 Å²	63	52.8 Å²	52.8	38%	0.382	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-61.3	144.3	171.7	-169.8	0	0	0	0	110	E320 P321 R331	E320-V378 HydrophobicContact CB-CG1 4.04Å; E320-V378 HydrophobicContact CB-CG2 3.83Å; E320-V378 HydrophobicContact CG-CG2 4.17Å; E320-V378 WeakPolarHBondContact OE2-CG2 3.42Å; P321-V378 CarbonylContact O-C 3.55Å; P321-V378 WeakPolarHBondContact O-CA 3.48Å; R331-V378 VanDerWaalsContact NE-CG2 3.34Å
379	V	92.9	Very high	91	Very high	19 Å²	19	49.4 Å²	49.4	12%	0.115	27%	0.274	C	S	.	.			trans	-114	137.5	168.6	-68.4	0	0	0	0	112.4	Y195 P321 N323 F328 K383 V384	Y195-V379 PolarHBondContact OH-O 3.12Å; P321-V379 HydrophobicContact CB-CG2 4Å; P321-V379 HydrophobicContact CG-CG2 4.15Å; P321-V379 VanDerWaalsContact CG-O 3.28Å; P321-V379 WeakPolarHBondContact CG-O 3.45Å; P321-V379 WeakPolarHBondContact O-CG2 3.18Å; P321-V379 PolarHBondContact O-N 3.49Å; N323-V379 HydrophobicContact CB-CB 4.31Å; N323-V379 HydrophobicContact CB-CG1 3.51Å; N323-V379 HydrophobicContact CB-CG2 4.01Å; F328-V379 HydrophobicContact CE2-CG2 4.25Å; F328-V379 HydrophobicContact CZ-CG2 4.29Å; V379-K383 HydrophobicContact CB-CB 3.81Å; V379-K383 HydrophobicContact CG1-CB 4.17Å; V379-V384 HydrophobicContact CG2-CG2 3.8Å
380	N	91.9	Very high	91.2	Very high	46 Å²	46	45.5 Å²	45.5	25%	0.246	26%	0.262	C	S	.	.			trans	-72.8	169.9	173.4	67.6	12.8	0	0	0	111.6	K382 K383 V384	N380-K382 VanDerWaalsContact C-N 3.26Å; N380-K382 PolarHBondContact O-N 2.99Å; N380-K382 PolarHBondContact OD1-N 3.49Å; N380-K383 PolarHBondContact O-N 3.31Å; N380-K383 VanDerWaalsContact O-N 3.11Å; N380-K383 WeakPolarHBondContact OD1-CG 3.37Å; N380-K383 PolarHBondContact OD1-N 2.7Å; N380-V384 PolarHBondContact O-N 2.99Å; N380-V384 VanDerWaalsContact O-N 3.14Å
381	V	92.5	Very high	91.4	Very high	10 Å²	10	39 Å²	39	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-54	-42.6	-179.9	176.7	0	0	0	0	111.8	F185 Y192 Y195 K383 V384 L385	F185-V381 HydrophobicContact CE1-CG1 3.68Å; F185-V381 HydrophobicContact CZ-CG1 3.82Å; Y192-V381 WeakPolarHBondContact O-CG2 3.42Å; Y195-V381 HydrophobicContact CD1-CB 4.26Å; Y195-V381 HydrophobicContact CD1-CG2 3.62Å; Y195-V381 HydrophobicContact CD2-CG2 4.32Å; Y195-V381 HydrophobicContact CE1-CB 4.21Å; Y195-V381 HydrophobicContact CE1-CG2 3.56Å; Y195-V381 HydrophobicContact CE2-CG2 4.25Å; Y195-V381 HydrophobicContact CG-CG2 4.01Å; V381-K383 VanDerWaalsContact C-N 3.32Å; V381-K383 PolarHBondContact O-N 3.01Å; V381-V384 WeakPolarHBondContact O-CB 3.45Å; V381-V384 PolarHBondContact O-N 2.86Å; V381-V384 VanDerWaalsContact O-N 3.08Å; V381-L385 HydrophobicContact CG1-CD1 4.09Å; V381-L385 HydrophobicContact CG1-CG 4.13Å; V381-L385 WeakPolarHBondContact O-CG 3.31Å; V381-L385 PolarHBondContact O-N 3.29Å
382	K	91.9	Very high	91.6	Very high	65 Å²	65	37.7 Å²	37.7	28%	0.283	23%	0.225	S	C	.	.	H	α-helix	trans	-55.5	-46.7	178.8	-65.7	169.6	-179.6	159.2	0	111.3	L186 Q188 D190 N380 L385 Q386 Y419	L186-K382 HydrophobicContact CD2-CG 4.05Å; L186-K382 WeakPolarHBondContact O-CE 3.44Å; L186-K382 PolarHBondContact O-NZ 3.03Å; Q188-K382 PolarHBondContact O-NZ 2.91Å; D190-K382 IonicContact OD1-NZ 3.38Å; D190-K382 PolarHBondContact OD1-NZ 2.78Å; N380-K382 VanDerWaalsContact C-N 3.26Å; N380-K382 PolarHBondContact O-N 2.99Å; N380-K382 PolarHBondContact OD1-N 3.49Å; K382-L385 PolarHBondContact O-N 3.5Å; K382-Q386 WeakPolarHBondContact O-CB 3.38Å; K382-Q386 PolarHBondContact O-N 3.21Å; K382-Y419 PolarHBondContact O-OH 2.73Å
383	K	92.4	Very high	91.6	Very high	100 Å²	100	33.7 Å²	33.7	44%	0.435	20%	0.199	S	C	.	.	H	α-helix	trans	-67.7	-33.6	177.8	-72.9	-60	-177.5	-173.5	0	113.4	V379 N380 V381 R387	V379-K383 HydrophobicContact CB-CB 3.81Å; V379-K383 HydrophobicContact CG1-CB 4.17Å; N380-K383 PolarHBondContact O-N 3.31Å; N380-K383 VanDerWaalsContact O-N 3.11Å; N380-K383 WeakPolarHBondContact OD1-CG 3.37Å; N380-K383 PolarHBondContact OD1-N 2.7Å; V381-K383 VanDerWaalsContact C-N 3.32Å; V381-K383 PolarHBondContact O-N 3.01Å; K383-R387 WeakPolarHBondContact O-CB 3.33Å; K383-R387 PolarHBondContact O-N 2.84Å
384	V	94.4	Very high	91.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-49.1	172.2	176	0	0	0	0	110.7	Y195 I302 L306 P321 F328 V379 N380 V381 Q386 R387 M388	Y195-V384 HydrophobicContact CD1-CB 4.13Å; Y195-V384 HydrophobicContact CD1-CG1 4.28Å; Y195-V384 HydrophobicContact CD1-CG2 3.79Å; Y195-V384 HydrophobicContact CE1-CB 4.37Å; Y195-V384 HydrophobicContact CE1-CG2 3.64Å; I302-V384 HydrophobicContact CD1-CG1 4.1Å; I302-V384 HydrophobicContact CG1-CG1 4.44Å; L306-V384 HydrophobicContact CD1-CG1 4.11Å; L306-V384 HydrophobicContact CD2-CG1 4Å; L306-V384 HydrophobicContact CG-CG1 4.45Å; P321-V384 HydrophobicContact CB-CG2 4.31Å; P321-V384 HydrophobicContact CG-CG2 4.4Å; F328-V384 HydrophobicContact CE2-CG2 4.22Å; F328-V384 HydrophobicContact CZ-CG1 4.41Å; F328-V384 HydrophobicContact CZ-CG2 3.84Å; V379-V384 HydrophobicContact CG2-CG2 3.8Å; N380-V384 PolarHBondContact O-N 2.99Å; N380-V384 VanDerWaalsContact O-N 3.14Å; V381-V384 WeakPolarHBondContact O-CB 3.45Å; V381-V384 PolarHBondContact O-N 2.86Å; V381-V384 VanDerWaalsContact O-N 3.08Å; V384-Q386 VanDerWaalsContact C-N 3.34Å; V384-Q386 PolarHBondContact O-N 3.25Å; V384-R387 WeakPolarHBondContact O-CB 3.49Å; V384-R387 PolarHBondContact O-N 3.01Å; V384-R387 VanDerWaalsContact O-N 3.09Å; V384-M388 WeakPolarHBondContact O-CG 3.26Å; V384-M388 PolarHBondContact O-N 3.37Å
385	L	93.9	Very high	91.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-40.6	178.5	-59.4	-176.4	0	0	0	111.7	L182 F185 L186 G198 I202 V381 K382 R387 M388 V389 M418	L182-L385 HydrophobicContact CD1-CD1 4.23Å; F185-L385 HydrophobicContact CD1-CD1 4.3Å; F185-L385 HydrophobicContact CE1-CD1 3.81Å; L186-L385 HydrophobicContact CD2-CD1 4.02Å; G198-L385 WeakPolarHBondContact O-CD2 3.25Å; I202-L385 HydrophobicContact CD1-CB 4.16Å; I202-L385 HydrophobicContact CD1-CD2 3.7Å; I202-L385 HydrophobicContact CD1-CG 4.48Å; I202-L385 HydrophobicContact CG1-CD2 4.48Å; V381-L385 HydrophobicContact CG1-CD1 4.09Å; V381-L385 HydrophobicContact CG1-CG 4.13Å; V381-L385 WeakPolarHBondContact O-CG 3.31Å; V381-L385 PolarHBondContact O-N 3.29Å; K382-L385 PolarHBondContact O-N 3.5Å; L385-R387 VanDerWaalsContact C-N 3.26Å; L385-R387 PolarHBondContact O-N 2.98Å; L385-M388 HydrophobicContact CD2-SD 4.22Å; L385-M388 PolarHBondContact O-N 2.92Å; L385-M388 VanDerWaalsContact O-N 3.14Å; L385-V389 WeakPolarHBondContact O-CG2 3.49Å; L385-V389 PolarHBondContact O-N 3.26Å; L385-M418 HydrophobicContact CB-CE 3.55Å; L385-M418 HydrophobicContact CD1-CE 4.22Å
386	Q	92.7	Very high	90.8	Very high	38 Å²	38	26.2 Å²	26.2	18%	0.178	14%	0.144	C	C	.	.	H	α-helix	trans	-54.2	-43.9	172	-168.2	175.2	13.9	0	0	111.7	K382 V384 G390 Y415 Y419	K382-Q386 WeakPolarHBondContact O-CB 3.38Å; K382-Q386 PolarHBondContact O-N 3.21Å; V384-Q386 VanDerWaalsContact C-N 3.34Å; V384-Q386 PolarHBondContact O-N 3.25Å; Q386-G390 PolarHBondContact O-N 2.58Å; Q386-Y415 HydrophobicContact CG-CE2 4.15Å; Q386-Y415 PolarHBondContact NE2-OH 3.45Å; Q386-Y419 HydrophobicContact CB-CE2 3.73Å; Q386-Y419 HydrophobicContact CG-CD2 4.21Å; Q386-Y419 HydrophobicContact CG-CE2 3.71Å
387	R	94	Very high	90.2	Very high	70 Å²	70	31.7 Å²	31.7	26%	0.264	17%	0.168	S	C	.	.	H	α-helix	trans	-68	-40.5	177.4	-175.2	63.9	162.1	171.3	-0.3	112	I302 N323 F328 K383 V384 L385 G390 N391	I302-R387 HydrophobicContact CD1-CB 3.71Å; I302-R387 HydrophobicContact CD1-CG 3.58Å; N323-R387 VanDerWaalsContact OD1-CD 3.23Å; N323-R387 WeakPolarHBondContact OD1-CD 3.36Å; N323-R387 WeakPolarHBondContact OD1-CG 3.41Å; N323-R387 PolarHBondContact OD1-NE 2.95Å; F328-R387 HydrophobicContact CD2-CG 4.35Å; K383-R387 WeakPolarHBondContact O-CB 3.33Å; K383-R387 PolarHBondContact O-N 2.84Å; V384-R387 WeakPolarHBondContact O-CB 3.49Å; V384-R387 PolarHBondContact O-N 3.01Å; V384-R387 VanDerWaalsContact O-N 3.09Å; L385-R387 VanDerWaalsContact C-N 3.26Å; L385-R387 PolarHBondContact O-N 2.98Å; R387-G390 PolarHBondContact O-N 3.06Å; R387-N391 WeakPolarHBondContact O-CB 3.37Å; R387-N391 PolarHBondContact O-N 3.49Å; R387-N391 PolarHBondContact O-ND2 3.3Å; R387-N391 PolarHBondContact O-OD1 3.32Å
388	M	94.4	Very high	89.2	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-51.1	177.3	-71	-174.8	71.7	0	0	111.9	A199 I202 I302 L306 V384 L385 G390 N391 L392	A199-M388 HydrophobicContact CB-CE 3.76Å; A199-M388 HydrophobicContact CB-SD 3.87Å; I202-M388 HydrophobicContact CD1-CB 3.65Å; I202-M388 HydrophobicContact CD1-CE 4.36Å; I202-M388 HydrophobicContact CD1-CG 4.44Å; I202-M388 HydrophobicContact CD1-SD 4.06Å; I302-M388 HydrophobicContact CD1-CB 4.43Å; I302-M388 HydrophobicContact CD1-CG 3.44Å; I302-M388 VanDerWaalsContact CD1-CG 3.44Å; I302-M388 HydrophobicContact CG1-CG 3.91Å; I302-M388 HydrophobicContact CG2-CG 4.34Å; L306-M388 HydrophobicContact CD1-CE 4.42Å; L306-M388 HydrophobicContact CD1-SD 3.67Å; V384-M388 WeakPolarHBondContact O-CG 3.26Å; V384-M388 PolarHBondContact O-N 3.37Å; L385-M388 HydrophobicContact CD2-SD 4.22Å; L385-M388 PolarHBondContact O-N 2.92Å; L385-M388 VanDerWaalsContact O-N 3.14Å; M388-G390 VanDerWaalsContact C-N 3.33Å; M388-G390 PolarHBondContact O-N 2.8Å; M388-N391 WeakPolarHBondContact O-CB 3.33Å; M388-N391 PolarHBondContact O-N 2.95Å; M388-L392 PolarHBondContact O-N 2.95Å; M388-L392 VanDerWaalsContact O-N 3.08Å
389	V	92.6	Very high	87.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.8	-36.9	178.7	-172	0	0	0	0	110.9	I202 L385 N391 L392 L393 S411 L414 Y415 M418	I202-V389 HydrophobicContact CD1-CG2 3.68Å; I202-V389 HydrophobicContact CG1-CG2 4.12Å; L385-V389 WeakPolarHBondContact O-CG2 3.49Å; L385-V389 PolarHBondContact O-N 3.26Å; V389-N391 VanDerWaalsContact C-N 3.3Å; V389-N391 PolarHBondContact O-N 3.01Å; V389-L392 WeakPolarHBondContact O-CB 3.45Å; V389-L392 PolarHBondContact O-N 3.47Å; V389-L393 WeakPolarHBondContact O-CB 3.38Å; V389-L393 PolarHBondContact O-N 2.83Å; V389-S411 VanDerWaalsContact CG1-O 3.3Å; V389-S411 WeakPolarHBondContact CG1-O 3.44Å; V389-L414 HydrophobicContact CG1-CB 4.17Å; V389-L414 HydrophobicContact CG1-CD2 4.14Å; V389-L414 HydrophobicContact CG1-CG 4.1Å; V389-L414 HydrophobicContact CG2-CD2 3.74Å; V389-L414 HydrophobicContact CG2-CG 4.04Å; V389-Y415 HydrophobicContact CB-CD2 3.99Å; V389-Y415 HydrophobicContact CG1-CD2 3.81Å; V389-Y415 HydrophobicContact CG1-CG 4.21Å; V389-M418 HydrophobicContact CG2-SD 3.83Å
390	G	91.8	Very high	85.7	Confident	22 Å²	22	41.3 Å²	41.3	23%	0.227	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-38	172.5	0	0	0	0	0	113.1	Q386 R387 M388 S394	Q386-G390 PolarHBondContact O-N 2.58Å; R387-G390 PolarHBondContact O-N 3.06Å; M388-G390 VanDerWaalsContact C-N 3.33Å; M388-G390 PolarHBondContact O-N 2.8Å; G390-S394 PolarHBondContact O-N 3.15Å
391	N	91.2	Very high	83.9	Confident	24 Å²	24	44.6 Å²	44.6	13%	0.128	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-49.9	172.8	-70.3	-16.5	0	0	0	110.4	L288 I300 I302 R387 M388 V389 L393 S394 L395	L288-N391 HydrophobicContact CD1-CB 3.87Å; L288-N391 HydrophobicContact CD2-CB 4.13Å; I300-N391 HydrophobicContact CD1-CB 4.36Å; I302-N391 WeakPolarHBondContact CG2-ND2 3.3Å; R387-N391 WeakPolarHBondContact O-CB 3.37Å; R387-N391 PolarHBondContact O-N 3.49Å; R387-N391 PolarHBondContact O-ND2 3.3Å; R387-N391 PolarHBondContact O-OD1 3.32Å; M388-N391 WeakPolarHBondContact O-CB 3.33Å; M388-N391 PolarHBondContact O-N 2.95Å; V389-N391 VanDerWaalsContact C-N 3.3Å; V389-N391 PolarHBondContact O-N 3.01Å; N391-L393 VanDerWaalsContact C-N 3.31Å; N391-L393 PolarHBondContact O-N 3.46Å; N391-S394 WeakPolarHBondContact O-CB 3.47Å; N391-S394 PolarHBondContact O-N 2.92Å; N391-S394 PolarHBondContact O-OG 3.15Å; N391-L395 WeakPolarHBondContact O-CG 3.41Å; N391-L395 PolarHBondContact O-N 3.5Å
392	L	89.6	Confident	81.9	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-54.8	-45.4	176	-69	171.6	0	0	0	112.2	I202 A285 L288 Y289 M388 V389 S394 L395 G396 L407	I202-L392 HydrophobicContact CG2-CD1 3.68Å; A285-L392 HydrophobicContact CB-CD2 4.24Å; L288-L392 HydrophobicContact CB-CD2 4.11Å; L288-L392 HydrophobicContact CD1-CD2 3.48Å; L288-L392 VanDerWaalsContact CD1-CD2 3.48Å; L288-L392 HydrophobicContact CD1-CG 3.8Å; L288-L392 HydrophobicContact CG-CD2 4.39Å; Y289-L392 HydrophobicContact CE1-CD1 4.3Å; Y289-L392 HydrophobicContact CE1-CD2 3.97Å; M388-L392 PolarHBondContact O-N 2.95Å; M388-L392 VanDerWaalsContact O-N 3.08Å; V389-L392 WeakPolarHBondContact O-CB 3.45Å; V389-L392 PolarHBondContact O-N 3.47Å; L392-S394 VanDerWaalsContact C-N 3.29Å; L392-S394 PolarHBondContact O-N 3.43Å; L392-L395 WeakPolarHBondContact O-CB 3.29Å; L392-L395 PolarHBondContact O-N 2.94Å; L392-L395 VanDerWaalsContact O-N 3.07Å; L392-G396 PolarHBondContact O-N 2.68Å; L392-L407 HydrophobicContact CD2-CD1 4.43Å
393	L	88.3	Confident	79.9	Confident	9 Å²	9	52.4 Å²	52.4	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-39.8	177.3	-178.5	70.4	0	0	0	112	V389 N391 L395 G396 K397 L408 S411 L412 L425	V389-L393 WeakPolarHBondContact O-CB 3.38Å; V389-L393 PolarHBondContact O-N 2.83Å; N391-L393 VanDerWaalsContact C-N 3.31Å; N391-L393 PolarHBondContact O-N 3.46Å; L393-L395 VanDerWaalsContact C-N 3.28Å; L393-L395 PolarHBondContact O-N 3.03Å; L393-G396 PolarHBondContact O-N 3.44Å; L393-K397 WeakPolarHBondContact O-CG 3.43Å; L393-K397 PolarHBondContact O-N 3.4Å; L393-L408 HydrophobicContact CD1-CD1 3.69Å; L393-S411 WeakPolarHBondContact CA-OG 3.32Å; L393-L412 HydrophobicContact CD1-CB 3.84Å; L393-L412 HydrophobicContact CD1-CD1 3.9Å; L393-L412 HydrophobicContact CD1-CG 4.4Å; L393-L412 HydrophobicContact CD2-CD1 4.43Å; L393-L425 HydrophobicContact CD2-CD1 4.35Å; L393-L425 HydrophobicContact CD2-CD2 3.57Å
394	S	86.8	Confident	78.4	Confident	44 Å²	44	47.7 Å²	47.7	31%	0.308	25%	0.248	S	C	.	.	H	α-helix	trans	-67.3	-29.2	176.4	79.2	0	0	0	0	113	G390 N391 L392 R398	G390-S394 PolarHBondContact O-N 3.15Å; N391-S394 WeakPolarHBondContact O-CB 3.47Å; N391-S394 PolarHBondContact O-N 2.92Å; N391-S394 PolarHBondContact O-OG 3.15Å; L392-S394 VanDerWaalsContact C-N 3.29Å; L392-S394 PolarHBondContact O-N 3.43Å; S394-R398 WeakPolarHBondContact O-CG 3.38Å
395	L	84.2	Confident	77.2	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-69.4	-51	173.1	-55.9	-174.7	0	0	0	110.3	Y283 A285 L288 N391 L392 L393 K397 R398 L407	Y283-L395 VanDerWaalsContact CA-CD2 3.49Å; Y283-L395 HydrophobicContact CD1-CD2 3.53Å; Y283-L395 HydrophobicContact CG-CD2 4.13Å; Y283-L395 WeakPolarHBondContact O-CD1 3.19Å; Y283-L395 WeakPolarHBondContact O-CD2 3.09Å; A285-L395 HydrophobicContact CB-CD1 4.15Å; L288-L395 HydrophobicContact CD1-CD1 3.81Å; N391-L395 WeakPolarHBondContact O-CG 3.41Å; N391-L395 PolarHBondContact O-N 3.5Å; L392-L395 WeakPolarHBondContact O-CB 3.29Å; L392-L395 PolarHBondContact O-N 2.94Å; L392-L395 VanDerWaalsContact O-N 3.07Å; L393-L395 VanDerWaalsContact C-N 3.28Å; L393-L395 PolarHBondContact O-N 3.03Å; L395-K397 PolarHBondContact O-N 3.42Å; L395-K397 VanDerWaalsContact O-N 3.14Å; L395-R398 PolarHBondContact O-N 2.78Å; L395-L407 HydrophobicContact CB-CD2 4.19Å
396	G	77.6	Confident	76.1	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-29.4	180	0	0	0	0	0	113.8	L392 L393 R398	L392-G396 PolarHBondContact O-N 2.68Å; L393-G396 PolarHBondContact O-N 3.44Å; G396-R398 VanDerWaalsContact C-N 3.35Å
397	K	77.5	Confident	75.4	Confident	117 Å²	117	54.1 Å²	54.1	51%	0.509	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.2	175.9	-75.1	176.6	-179.8	179	0	114.6	L393 L395 L408	L393-K397 WeakPolarHBondContact O-CG 3.43Å; L393-K397 PolarHBondContact O-N 3.4Å; L395-K397 PolarHBondContact O-N 3.42Å; L395-K397 VanDerWaalsContact O-N 3.14Å; K397-L408 HydrophobicContact CG-CD1 3.81Å
398	R	69.8	Low	74.8	Confident	154 Å²	154	51.4 Å²	51.4	58%	0.581	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-32	-170.7	-75.2	172.7	176.6	-125.9	4.4	113.1	Y283 S394 L395 G396	Y283-R398 VanDerWaalsContact CZ-CZ 3.46Å; Y283-R398 PolarHBondContact OH-NH1 2.84Å; Y283-R398 PolarHBondContact OH-NH2 3.22Å; S394-R398 WeakPolarHBondContact O-CG 3.38Å; L395-R398 PolarHBondContact O-N 2.78Å; G396-R398 VanDerWaalsContact C-N 3.35Å
399	E	60.1	Low	74	Confident	87 Å²	87	52.8 Å²	52.8	41%	0.407	27%	0.272	S	S	.	.			trans	-86.9	134.5	-179.9	-68.5	-175.2	169.8	0	0	109.7	S404	E399-S404 WeakPolarHBondContact O-CB 3.13Å; E399-S404 PolarHBondContact O-OG 2.96Å
400	G	51.8	Low	73.4	Confident	70 Å²	70	53.3 Å²	53.3	72%	0.722	28%	0.275	S	S	*	.			trans	-107.5	36.4	179.1	0	0	0	0	0	113.1
401	I	53.9	Low	73.1	Confident	114 Å²	114	52.3 Å²	52.3	59%	0.585	26%	0.264	S	S	*	.	S	Bend	trans	-117.7	153.1	-174.4	-58.1	170.8	0	0	0	108.3	Q403 S404	I401-Q403 PolarHBondContact O-N 3.44Å; I401-S404 PolarHBondContact N-OG 3.1Å; I401-S404 WeakPolarHBondContact O-CA 3.45Å; I401-S404 VanDerWaalsContact O-CB 3.27Å; I401-S404 WeakPolarHBondContact O-CB 3.21Å; I401-S404 PolarHBondContact O-N 2.87Å; I401-S404 PolarHBondContact O-OG 2.85Å
402	D	50.6	Low	72.9	Confident	90 Å²	90	51.1 Å²	51.1	48%	0.481	26%	0.258	S	S	.	.	H	α-helix	trans	-51.6	-33.7	-178.2	-71.9	-34.4	0	0	0	115.2	S404 Y405	D402-S404 VanDerWaalsContact C-N 3.29Å; D402-S404 PolarHBondContact O-N 2.87Å; D402-Y405 PolarHBondContact O-N 3.26Å
403	Q	51	Low	72.6	Confident	150 Å²	150	52.1 Å²	52.1	70%	0.701	26%	0.263	S	S	*	.	H	α-helix	trans	-65.9	-29.1	174	-72.6	178.5	1.6	0	0	113.2	I401 Q406 L407	I401-Q403 PolarHBondContact O-N 3.44Å; Q403-Q406 PolarHBondContact O-N 2.86Å; Q403-L407 PolarHBondContact O-N 3Å
404	S	61.3	Low	72.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-72	-32.6	178.9	77.4	0	0	0	0	112.8	E399 I401 D402 L407 L408	E399-S404 WeakPolarHBondContact O-CB 3.13Å; E399-S404 PolarHBondContact O-OG 2.96Å; I401-S404 PolarHBondContact N-OG 3.1Å; I401-S404 WeakPolarHBondContact O-CA 3.45Å; I401-S404 VanDerWaalsContact O-CB 3.27Å; I401-S404 WeakPolarHBondContact O-CB 3.21Å; I401-S404 PolarHBondContact O-N 2.87Å; I401-S404 PolarHBondContact O-OG 2.85Å; D402-S404 VanDerWaalsContact C-N 3.29Å; D402-S404 PolarHBondContact O-N 2.87Å; S404-L407 PolarHBondContact O-N 2.82Å; S404-L408 WeakPolarHBondContact O-CB 3.31Å; S404-L408 PolarHBondContact O-N 3.29Å
405	Y	67.6	Low	72.7	Confident	72 Å²	72	50.8 Å²	50.8	28%	0.282	25%	0.251	S	S	.	.	H	α-helix	trans	-69.1	-35.4	177.2	-73.7	-71	0	0	0	112.1	D402 R409 L432 L436	D402-Y405 PolarHBondContact O-N 3.26Å; Y405-R409 WeakPolarHBondContact O-CB 3.41Å; Y405-R409 PolarHBondContact O-N 3.24Å; Y405-L432 HydrophobicContact CD1-CD1 3.75Å; Y405-L432 HydrophobicContact CE1-CD1 4.29Å; Y405-L436 HydrophobicContact CD1-CD2 4.25Å; Y405-L436 HydrophobicContact CG-CD2 4.2Å
406	Q	71.4	Confident	72.8	Confident	74 Å²	74	51 Å²	51	35%	0.346	25%	0.252	S	S	.	.	H	α-helix	trans	-66.4	-48	173.9	-174	62.4	45.1	0	0	110.6	Q403 L408 R409 D410	Q403-Q406 PolarHBondContact O-N 2.86Å; Q406-L408 VanDerWaalsContact C-N 3.34Å; Q406-L408 PolarHBondContact O-N 2.92Å; Q406-R409 PolarHBondContact O-N 3.11Å; Q406-D410 PolarHBondContact NE2-OD1 3.24Å; Q406-D410 PolarHBondContact NE2-OD2 2.92Å; Q406-D410 WeakPolarHBondContact O-CB 3.35Å; Q406-D410 PolarHBondContact O-N 3.21Å
407	L	77.3	Confident	73	Confident	27 Å²	27	52.6 Å²	52.6	14%	0.141	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-43.4	175.3	178.3	63.4	0	0	0	111.8	A285 L392 L395 Q403 S404 S411	A285-L407 HydrophobicContact CB-CD1 4.31Å; A285-L407 HydrophobicContact CB-CD2 3.95Å; L392-L407 HydrophobicContact CD2-CD1 4.43Å; L395-L407 HydrophobicContact CB-CD2 4.19Å; Q403-L407 PolarHBondContact O-N 3Å; S404-L407 PolarHBondContact O-N 2.82Å; L407-S411 WeakPolarHBondContact O-CB 3.32Å; L407-S411 PolarHBondContact O-N 2.94Å; L407-S411 PolarHBondContact O-OG 3.45Å
408	L	81.8	Confident	73.2	Confident	14 Å²	14	48 Å²	48	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-45.1	176.6	178.4	57.9	0	0	0	111	L393 K397 S404 Q406 S411 L412 L432	L393-L408 HydrophobicContact CD1-CD1 3.69Å; K397-L408 HydrophobicContact CG-CD1 3.81Å; S404-L408 WeakPolarHBondContact O-CB 3.31Å; S404-L408 PolarHBondContact O-N 3.29Å; Q406-L408 VanDerWaalsContact C-N 3.34Å; Q406-L408 PolarHBondContact O-N 2.92Å; L408-S411 PolarHBondContact O-OG 3.31Å; L408-S411 VanDerWaalsContact O-OG 3.12Å; L408-L412 WeakPolarHBondContact O-CB 3.27Å; L408-L412 PolarHBondContact O-N 2.99Å; L408-L432 HydrophobicContact CD2-CD1 3.91Å; L408-L432 HydrophobicContact CD2-CD2 4.32Å; L408-L432 HydrophobicContact CG-CD1 4.47Å; L408-L432 HydrophobicContact CG-CD2 4.02Å
409	R	79.1	Confident	73.9	Confident	31 Å²	31	42.7 Å²	42.7	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-53.5	176.5	174.6	176.4	178.3	-171.6	0.2	111.4	Y405 Q406 S411 L412 D413 L432 Y433	Y405-R409 WeakPolarHBondContact O-CB 3.41Å; Y405-R409 PolarHBondContact O-N 3.24Å; Q406-R409 PolarHBondContact O-N 3.11Å; R409-S411 PolarHBondContact O-N 2.94Å; R409-L412 PolarHBondContact O-N 2.94Å; R409-D413 IonicContact NE-OD2 2.79Å; R409-D413 WeakPolarHBondContact O-CB 3.46Å; R409-D413 VanDerWaalsContact O-CG 3.25Å; R409-D413 PolarHBondContact O-N 2.84Å; R409-L432 HydrophobicContact CB-CD2 4.06Å; R409-Y433 HydrophobicContact CG-CE1 3.97Å
410	D	78.7	Confident	75	Confident	11 Å²	11	41.6 Å²	41.6	6%	0.059	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-41.2	-175.6	-70.1	-25.6	0	0	0	111.3	Y171 Q406 L414	Y171-D410 PolarHBondContact OH-OD2 3.45Å; Q406-D410 PolarHBondContact NE2-OD1 3.24Å; Q406-D410 PolarHBondContact NE2-OD2 2.92Å; Q406-D410 WeakPolarHBondContact O-CB 3.35Å; Q406-D410 PolarHBondContact O-N 3.21Å; D410-L414 VanDerWaalsContact O-CB 3.27Å; D410-L414 WeakPolarHBondContact O-CB 3.13Å; D410-L414 PolarHBondContact O-N 2.82Å
411	S	86.6	Confident	76.6	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-36.3	176	59.7	0	0	0	0	112.8	V389 L393 L407 L408 R409 Y415	V389-S411 VanDerWaalsContact CG1-O 3.3Å; V389-S411 WeakPolarHBondContact CG1-O 3.44Å; L393-S411 WeakPolarHBondContact CA-OG 3.32Å; L407-S411 WeakPolarHBondContact O-CB 3.32Å; L407-S411 PolarHBondContact O-N 2.94Å; L407-S411 PolarHBondContact O-OG 3.45Å; L408-S411 PolarHBondContact O-OG 3.31Å; L408-S411 VanDerWaalsContact O-OG 3.12Å; R409-S411 PolarHBondContact O-N 2.94Å; S411-Y415 VanDerWaalsContact O-CB 3.31Å; S411-Y415 WeakPolarHBondContact O-CB 3.41Å; S411-Y415 PolarHBondContact O-N 3.38Å
412	L	85.7	Confident	78	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.5	-43.2	176.5	-173.4	58.6	0	0	0	112	L393 L408 R409 L414 Y415 L416 L425 L428 Q429 L432	L393-L412 HydrophobicContact CD1-CB 3.84Å; L393-L412 HydrophobicContact CD1-CD1 3.9Å; L393-L412 HydrophobicContact CD1-CG 4.4Å; L393-L412 HydrophobicContact CD2-CD1 4.43Å; L408-L412 WeakPolarHBondContact O-CB 3.27Å; L408-L412 PolarHBondContact O-N 2.99Å; R409-L412 PolarHBondContact O-N 2.94Å; L412-L414 VanDerWaalsContact C-N 3.35Å; L412-Y415 PolarHBondContact O-N 2.9Å; L412-L416 HydrophobicContact CD1-CD1 4.02Å; L412-L416 HydrophobicContact CD1-CG 4.35Å; L412-L416 HydrophobicContact CG-CD1 4.02Å; L412-L416 WeakPolarHBondContact O-CB 3.4Å; L412-L416 WeakPolarHBondContact O-CG 3.45Å; L412-L416 PolarHBondContact O-N 3.05Å; L412-L425 HydrophobicContact CD1-CB 3.86Å; L412-L425 HydrophobicContact CD1-CD2 4.1Å; L412-L425 HydrophobicContact CD1-CG 4.41Å; L412-L428 HydrophobicContact CD1-CD2 4.4Å; L412-L428 HydrophobicContact CD2-CB 4.4Å; L412-L428 HydrophobicContact CD2-CD2 4.25Å; L412-L428 HydrophobicContact CD2-CG 4.04Å; L412-Q429 VanDerWaalsContact CD2-CA 3.43Å; L412-Q429 HydrophobicContact CD2-CB 3.58Å; L412-Q429 HydrophobicContact CD2-CG 4.04Å; L412-Q429 HydrophobicContact CG-CB 4.09Å; L412-Q429 HydrophobicContact CG-CG 4.36Å; L412-L432 HydrophobicContact CD2-CD2 4.24Å
413	D	83.2	Confident	79.6	Confident	22 Å²	22	38.6 Å²	38.6	12%	0.118	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-44.5	175.3	-72.9	-2.2	0	0	0	110.2	R409 A417 Q429 Y433	R409-D413 IonicContact NE-OD2 2.79Å; R409-D413 WeakPolarHBondContact O-CB 3.46Å; R409-D413 VanDerWaalsContact O-CG 3.25Å; R409-D413 PolarHBondContact O-N 2.84Å; D413-A417 VanDerWaalsContact O-CB 3.23Å; D413-A417 WeakPolarHBondContact O-CB 3.21Å; D413-A417 PolarHBondContact O-N 3.4Å; D413-Q429 PolarHBondContact OD1-NE2 2.93Å; D413-Y433 VanDerWaalsContact CG-OH 3.23Å; D413-Y433 PolarHBondContact OD1-OH 3.37Å; D413-Y433 PolarHBondContact OD2-OH 3Å
414	L	86.8	Confident	81.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-47.6	174.2	-176.1	56.9	0	0	0	112	L179 L182 I202 Y205 V389 D410 L412 L416 A417 M418	L179-L414 HydrophobicContact CD1-CD1 4.47Å; L182-L414 HydrophobicContact CD2-CD1 3.63Å; I202-L414 HydrophobicContact CG1-CD2 4.35Å; I202-L414 HydrophobicContact CG2-CD2 4.14Å; Y205-L414 HydrophobicContact CD1-CB 3.91Å; Y205-L414 HydrophobicContact CD1-CD1 3.89Å; Y205-L414 HydrophobicContact CD1-CD2 3.79Å; Y205-L414 HydrophobicContact CD1-CG 4.07Å; Y205-L414 HydrophobicContact CD2-CD1 3.98Å; Y205-L414 HydrophobicContact CE1-CB 3.59Å; Y205-L414 HydrophobicContact CE1-CD1 4.09Å; Y205-L414 HydrophobicContact CE1-CD2 4.36Å; Y205-L414 HydrophobicContact CE1-CG 4.22Å; Y205-L414 HydrophobicContact CE2-CD1 4.14Å; Y205-L414 HydrophobicContact CG-CD1 3.82Å; Y205-L414 HydrophobicContact CG-CD2 4.22Å; Y205-L414 HydrophobicContact CG-CG 4.46Å; V389-L414 HydrophobicContact CG1-CB 4.17Å; V389-L414 HydrophobicContact CG1-CD2 4.14Å; V389-L414 HydrophobicContact CG1-CG 4.1Å; V389-L414 HydrophobicContact CG2-CD2 3.74Å; V389-L414 HydrophobicContact CG2-CG 4.04Å; D410-L414 VanDerWaalsContact O-CB 3.27Å; D410-L414 WeakPolarHBondContact O-CB 3.13Å; D410-L414 PolarHBondContact O-N 2.82Å; L412-L414 VanDerWaalsContact C-N 3.35Å; L414-L416 PolarHBondContact O-N 3.1Å; L414-A417 PolarHBondContact O-N 3.28Å; L414-M418 HydrophobicContact CD1-CG 4.46Å; L414-M418 HydrophobicContact CD1-SD 4.25Å; L414-M418 HydrophobicContact CG-SD 4.22Å; L414-M418 WeakPolarHBondContact O-CG 3.09Å; L414-M418 PolarHBondContact O-N 2.86Å; L414-M418 VanDerWaalsContact O-N 3.09Å
415	Y	90.1	Very high	82.4	Confident	25 Å²	25	40.4 Å²	40.4	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-60.6	-47.4	-178.3	-163.2	-71.4	0	0	0	110.9	Q386 V389 S411 L412 A417 M418 Y419 Q422 L425	Q386-Y415 HydrophobicContact CG-CE2 4.15Å; Q386-Y415 PolarHBondContact NE2-OH 3.45Å; V389-Y415 HydrophobicContact CB-CD2 3.99Å; V389-Y415 HydrophobicContact CG1-CD2 3.81Å; V389-Y415 HydrophobicContact CG1-CG 4.21Å; S411-Y415 VanDerWaalsContact O-CB 3.31Å; S411-Y415 WeakPolarHBondContact O-CB 3.41Å; S411-Y415 PolarHBondContact O-N 3.38Å; L412-Y415 PolarHBondContact O-N 2.9Å; Y415-A417 VanDerWaalsContact C-N 3.32Å; Y415-M418 PolarHBondContact O-N 3.44Å; Y415-Y419 HydrophobicContact CD1-CD2 4.05Å; Y415-Y419 AromaticContact CE1-CD2 3.87Å; Y415-Y419 HydrophobicContact CE1-CD2 3.87Å; Y415-Y419 HydrophobicContact CE1-CG 4.27Å; Y415-Y419 PolarHBondContact O-N 3.13Å; Y415-Q422 HydrophobicContact CE1-CG 4.15Å; Y415-L425 HydrophobicContact CD1-CD1 3.2Å; Y415-L425 HydrophobicContact CD2-CD1 4.47Å; Y415-L425 HydrophobicContact CE1-CD1 3.26Å; Y415-L425 HydrophobicContact CG-CD1 3.86Å
416	L	86.1	Confident	83.1	Confident	12 Å²	12	37.4 Å²	37.4	6%	0.063	19%	0.191	C	C	.	.	H	α-helix	trans	-70.3	-29.1	179.7	-72.1	169.2	0	0	0	112.2	L412 L414 M418 Y419 P420 Q422 L425 L426 Q429	L412-L416 HydrophobicContact CD1-CD1 4.02Å; L412-L416 HydrophobicContact CD1-CG 4.35Å; L412-L416 HydrophobicContact CG-CD1 4.02Å; L412-L416 WeakPolarHBondContact O-CB 3.4Å; L412-L416 WeakPolarHBondContact O-CG 3.45Å; L412-L416 PolarHBondContact O-N 3.05Å; L414-L416 PolarHBondContact O-N 3.1Å; L416-M418 VanDerWaalsContact C-N 3.28Å; L416-M418 PolarHBondContact O-N 3.35Å; L416-Y419 CarbonylContact O-C 3.54Å; L416-P420 WeakPolarHBondContact O-CA 3.46Å; L416-P420 VanDerWaalsContact O-N 3.13Å; L416-Q422 HydrophobicContact CD2-CB 4.22Å; L416-L425 HydrophobicContact CD2-CB 3.78Å; L416-L425 HydrophobicContact CG-CB 4.26Å; L416-L426 HydrophobicContact CD1-CD2 4.06Å; L416-L426 HydrophobicContact CD2-CD2 3.85Å; L416-L426 HydrophobicContact CD2-CG 3.85Å; L416-Q429 HydrophobicContact CD1-CB 3.92Å; L416-Q429 VanDerWaalsContact CD1-CD 3.47Å; L416-Q429 HydrophobicContact CD1-CG 4.19Å; L416-Q429 VanDerWaalsContact CD1-OE1 3.3Å
417	A	82.4	Confident	83.5	Confident	34 Å²	34	34.7 Å²	34.7	28%	0.281	18%	0.179	S	C	.	.	H	α-helix	trans	-70.7	-26.8	173.9	0	0	0	0	0	112.9	L179 D413 L414 Y415	L179-A417 HydrophobicContact CD1-CB 3.54Å; L179-A417 HydrophobicContact CD2-CB 4.07Å; L179-A417 HydrophobicContact CG-CB 4.39Å; D413-A417 VanDerWaalsContact O-CB 3.23Å; D413-A417 WeakPolarHBondContact O-CB 3.21Å; D413-A417 PolarHBondContact O-N 3.4Å; L414-A417 PolarHBondContact O-N 3.28Å; Y415-A417 VanDerWaalsContact C-N 3.32Å
418	M	82.9	Confident	83.8	Confident	20 Å²	20	35.6 Å²	35.6	10%	0.099	18%	0.183	C	C	.	.	H	α-helix	trans	-86.4	-34.3	172.8	-62.8	173.6	67	0	0	112.8	L182 L186 L385 V389 L414 Y415 L416	L182-M418 HydrophobicContact CD2-CG 4.07Å; L182-M418 HydrophobicContact CD2-SD 4.01Å; L186-M418 HydrophobicContact CD1-CB 4.08Å; L186-M418 HydrophobicContact CD1-CE 3.93Å; L186-M418 HydrophobicContact CD1-CG 3.79Å; L186-M418 HydrophobicContact CD2-CE 4.12Å; L385-M418 HydrophobicContact CB-CE 3.55Å; L385-M418 HydrophobicContact CD1-CE 4.22Å; V389-M418 HydrophobicContact CG2-SD 3.83Å; L414-M418 HydrophobicContact CD1-CG 4.46Å; L414-M418 HydrophobicContact CD1-SD 4.25Å; L414-M418 HydrophobicContact CG-SD 4.22Å; L414-M418 WeakPolarHBondContact O-CG 3.09Å; L414-M418 PolarHBondContact O-N 2.86Å; L414-M418 VanDerWaalsContact O-N 3.09Å; Y415-M418 PolarHBondContact O-N 3.44Å; L416-M418 VanDerWaalsContact C-N 3.28Å; L416-M418 PolarHBondContact O-N 3.35Å
419	Y	84.1	Confident	83.8	Confident	43 Å²	43	35.5 Å²	35.5	17%	0.169	18%	0.183	C	C	.	.	S	Bend	trans	-137	78	-174.3	-52.9	-73.8	0	0	0	110.2	K382 Q386 Y415 L416 D421 Q422	K382-Y419 PolarHBondContact O-OH 2.73Å; Q386-Y419 HydrophobicContact CB-CE2 3.73Å; Q386-Y419 HydrophobicContact CG-CD2 4.21Å; Q386-Y419 HydrophobicContact CG-CE2 3.71Å; Y415-Y419 HydrophobicContact CD1-CD2 4.05Å; Y415-Y419 AromaticContact CE1-CD2 3.87Å; Y415-Y419 HydrophobicContact CE1-CD2 3.87Å; Y415-Y419 HydrophobicContact CE1-CG 4.27Å; Y415-Y419 PolarHBondContact O-N 3.13Å; L416-Y419 CarbonylContact O-C 3.54Å; Y419-D421 PolarHBondContact O-N 3.44Å; Y419-Q422 WeakPolarHBondContact O-CG 3.42Å
420	P	82.9	Confident	83.6	Confident	64 Å²	64	34.1 Å²	34.1	42%	0.416	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-32.7	-168.5	24.6	-33.8	0	0	0	114.1	L416 Q422 L426	L416-P420 WeakPolarHBondContact O-CA 3.46Å; L416-P420 VanDerWaalsContact O-N 3.13Å; P420-Q422 PolarHBondContact O-N 3.2Å; P420-L426 WeakPolarHBondContact O-CD1 3.45Å
421	D	84.5	Confident	83.5	Confident	99 Å²	99	40.5 Å²	40.5	53%	0.529	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	27.4	-169.2	-53	-37.4	0	0	0	114.2	Y419 V423 H456 L460	Y419-D421 PolarHBondContact O-N 3.44Å; D421-V423 PolarHBondContact O-N 3.24Å; D421-H456 IonicContact OD1-NE2 3.67Å; D421-L460 HydrophobicContact CB-CD1 4.29Å; D421-L460 HydrophobicContact CB-CD2 4.24Å
422	Q	84.5	Confident	82.9	Confident	84 Å²	84	41 Å²	41	39%	0.393	20%	0.203	S	C	.	.			trans	-95.6	84	-176.6	-64.4	-68.4	-51.6	0	0	110.9	Y415 L416 Y419 P420 Q424 L425 L426	Y415-Q422 HydrophobicContact CE1-CG 4.15Å; L416-Q422 HydrophobicContact CD2-CB 4.22Å; Y419-Q422 WeakPolarHBondContact O-CG 3.42Å; P420-Q422 PolarHBondContact O-N 3.2Å; Q422-Q424 VanDerWaalsContact C-N 3.29Å; Q422-Q424 PolarHBondContact O-N 3.47Å; Q422-Q424 VanDerWaalsContact O-N 3.13Å; Q422-L425 HydrophobicContact CB-CB 4.04Å; Q422-L425 HydrophobicContact CB-CD1 4.03Å; Q422-L425 HydrophobicContact CB-CG 4.17Å; Q422-L425 HydrophobicContact CG-CD1 4.49Å; Q422-L425 WeakPolarHBondContact O-CA 3.35Å; Q422-L425 WeakPolarHBondContact O-CB 3.44Å; Q422-L425 PolarHBondContact O-N 3.24Å; Q422-L426 PolarHBondContact O-N 2.84Å
423	V	83.7	Confident	82.2	Confident	29 Å²	29	41 Å²	41	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-48.3	-44.5	-174.9	177	0	0	0	0	113.7	D421 L425 L426 L427 I457 L460 D461 Q464	D421-V423 PolarHBondContact O-N 3.24Å; V423-L425 VanDerWaalsContact C-N 3.31Å; V423-L425 PolarHBondContact O-N 2.92Å; V423-L426 PolarHBondContact O-N 3.09Å; V423-L427 HydrophobicContact CG1-CD1 4.17Å; V423-L427 WeakPolarHBondContact O-CB 3.27Å; V423-L427 WeakPolarHBondContact O-CG 3.34Å; V423-L427 PolarHBondContact O-N 2.9Å; V423-I457 HydrophobicContact CG1-CG2 4.03Å; V423-L460 HydrophobicContact CG2-CB 3.88Å; V423-L460 HydrophobicContact CG2-CD1 4.14Å; V423-D461 HydrophobicContact CG1-CB 4.48Å; V423-D461 HydrophobicContact CG2-CB 4.27Å; V423-Q464 HydrophobicContact CG1-CG 4.25Å
424	Q	84.3	Confident	81.4	Confident	169 Å²	169	41.6 Å²	41.6	79%	0.79	21%	0.205	S	C	*	.	H	α-helix	trans	-63.9	-35.6	179.4	-66.9	-176.1	-0.6	0	0	112.9	Q422 L428	Q422-Q424 VanDerWaalsContact C-N 3.29Å; Q422-Q424 PolarHBondContact O-N 3.47Å; Q422-Q424 VanDerWaalsContact O-N 3.13Å; Q424-L428 PolarHBondContact O-N 3.25Å; Q424-L428 VanDerWaalsContact O-N 3.08Å
425	L	85.6	Confident	80.3	Confident	19 Å²	19	46.1 Å²	46.1	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-78.5	-36.5	178.8	-65.5	-174.9	0	0	0	111.5	L393 L412 Y415 L416 Q422 V423 L428 Q429	L393-L425 HydrophobicContact CD2-CD1 4.35Å; L393-L425 HydrophobicContact CD2-CD2 3.57Å; L412-L425 HydrophobicContact CD1-CB 3.86Å; L412-L425 HydrophobicContact CD1-CD2 4.1Å; L412-L425 HydrophobicContact CD1-CG 4.41Å; Y415-L425 HydrophobicContact CD1-CD1 3.2Å; Y415-L425 HydrophobicContact CD2-CD1 4.47Å; Y415-L425 HydrophobicContact CE1-CD1 3.26Å; Y415-L425 HydrophobicContact CG-CD1 3.86Å; L416-L425 HydrophobicContact CD2-CB 3.78Å; L416-L425 HydrophobicContact CG-CB 4.26Å; Q422-L425 HydrophobicContact CB-CB 4.04Å; Q422-L425 HydrophobicContact CB-CD1 4.03Å; Q422-L425 HydrophobicContact CB-CG 4.17Å; Q422-L425 HydrophobicContact CG-CD1 4.49Å; Q422-L425 WeakPolarHBondContact O-CA 3.35Å; Q422-L425 WeakPolarHBondContact O-CB 3.44Å; Q422-L425 PolarHBondContact O-N 3.24Å; V423-L425 VanDerWaalsContact C-N 3.31Å; V423-L425 PolarHBondContact O-N 2.92Å; L425-L428 HydrophobicContact CD2-CD2 4.47Å; L425-L428 WeakPolarHBondContact O-CB 3.31Å; L425-L428 PolarHBondContact O-N 2.81Å; L425-Q429 WeakPolarHBondContact O-CB 3.15Å; L425-Q429 PolarHBondContact O-N 3.23Å
426	L	82.8	Confident	78.9	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-45.5	169.8	-70.4	169	0	0	0	111.1	L416 P420 Q422 V423 L428 Q429 A430 I453 I457 L460	L416-L426 HydrophobicContact CD1-CD2 4.06Å; L416-L426 HydrophobicContact CD2-CD2 3.85Å; L416-L426 HydrophobicContact CD2-CG 3.85Å; P420-L426 WeakPolarHBondContact O-CD1 3.45Å; Q422-L426 PolarHBondContact O-N 2.84Å; V423-L426 PolarHBondContact O-N 3.09Å; L426-L428 VanDerWaalsContact C-N 3.33Å; L426-L428 PolarHBondContact O-N 2.94Å; L426-Q429 WeakPolarHBondContact O-CB 3.42Å; L426-Q429 PolarHBondContact O-N 3.06Å; L426-Q429 VanDerWaalsContact O-N 3.15Å; L426-A430 PolarHBondContact O-N 3.41Å; L426-I453 HydrophobicContact CB-CG2 3.98Å; L426-I453 HydrophobicContact CD2-CG2 4.18Å; L426-I453 WeakPolarHBondContact O-CG2 3.28Å; L426-I457 HydrophobicContact CB-CD1 3.83Å; L426-I457 HydrophobicContact CB-CG1 3.72Å; L426-I457 HydrophobicContact CD1-CG1 4.11Å; L426-L460 HydrophobicContact CD1-CD1 3.78Å
427	L	80.9	Confident	77.3	Confident	17 Å²	17	46.4 Å²	46.4	9%	0.089	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-40.7	174.7	-78	169.5	0	0	0	112.1	V423 Q429 R431 I457 L471	V423-L427 HydrophobicContact CG1-CD1 4.17Å; V423-L427 WeakPolarHBondContact O-CB 3.27Å; V423-L427 WeakPolarHBondContact O-CG 3.34Å; V423-L427 PolarHBondContact O-N 2.9Å; L427-Q429 VanDerWaalsContact C-N 3.33Å; L427-R431 WeakPolarHBondContact O-CB 3.44Å; L427-R431 VanDerWaalsContact O-CG 3.28Å; L427-R431 WeakPolarHBondContact O-CG 3.26Å; L427-R431 PolarHBondContact O-N 2.93Å; L427-I457 HydrophobicContact CD2-CD1 3.74Å; L427-I457 HydrophobicContact CG-CD1 3.83Å; L427-L471 HydrophobicContact CD2-CD1 4.47Å
428	L	83.4	Confident	75.1	Confident	45 Å²	45	49 Å²	49	24%	0.236	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-40.1	174.2	179.4	64.3	0	0	0	111.5	L412 Q424 L425 L426 R431 L432	L412-L428 HydrophobicContact CD1-CD2 4.4Å; L412-L428 HydrophobicContact CD2-CB 4.4Å; L412-L428 HydrophobicContact CD2-CD2 4.25Å; L412-L428 HydrophobicContact CD2-CG 4.04Å; Q424-L428 PolarHBondContact O-N 3.25Å; Q424-L428 VanDerWaalsContact O-N 3.08Å; L425-L428 HydrophobicContact CD2-CD2 4.47Å; L425-L428 WeakPolarHBondContact O-CB 3.31Å; L425-L428 PolarHBondContact O-N 2.81Å; L426-L428 VanDerWaalsContact C-N 3.33Å; L426-L428 PolarHBondContact O-N 2.94Å; L428-R431 PolarHBondContact O-N 3.36Å; L428-L432 VanDerWaalsContact O-CB 3.26Å; L428-L432 WeakPolarHBondContact O-CB 3.36Å; L428-L432 PolarHBondContact O-N 3.06Å
429	Q	81.8	Confident	72.9	Confident	13 Å²	13	54.9 Å²	54.9	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-45.6	178.9	-167.8	-173.9	40.2	0	0	110.9	L412 D413 L416 L425 L426 L427 R431 L432 Y433 I453	L412-Q429 VanDerWaalsContact CD2-CA 3.43Å; L412-Q429 HydrophobicContact CD2-CB 3.58Å; L412-Q429 HydrophobicContact CD2-CG 4.04Å; L412-Q429 HydrophobicContact CG-CB 4.09Å; L412-Q429 HydrophobicContact CG-CG 4.36Å; D413-Q429 PolarHBondContact OD1-NE2 2.93Å; L416-Q429 HydrophobicContact CD1-CB 3.92Å; L416-Q429 VanDerWaalsContact CD1-CD 3.47Å; L416-Q429 HydrophobicContact CD1-CG 4.19Å; L416-Q429 VanDerWaalsContact CD1-OE1 3.3Å; L425-Q429 WeakPolarHBondContact O-CB 3.15Å; L425-Q429 PolarHBondContact O-N 3.23Å; L426-Q429 WeakPolarHBondContact O-CB 3.42Å; L426-Q429 PolarHBondContact O-N 3.06Å; L426-Q429 VanDerWaalsContact O-N 3.15Å; L427-Q429 VanDerWaalsContact C-N 3.33Å; Q429-R431 VanDerWaalsContact C-N 3.35Å; Q429-R431 PolarHBondContact O-N 3.5Å; Q429-L432 PolarHBondContact O-N 3.35Å; Q429-Y433 HydrophobicContact CG-CD2 4.09Å; Q429-Y433 HydrophobicContact CG-CE1 4.47Å; Q429-Y433 HydrophobicContact CG-CE2 3.63Å; Q429-Y433 PolarHBondContact O-N 3.45Å; Q429-I453 HydrophobicContact CB-CD1 4.36Å; Q429-I453 HydrophobicContact CG-CD1 3.94Å
430	A	75.2	Confident	70.5	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-46.9	174.4	0	0	0	0	0	111.3	L426 Y433 F434 V450 I453 L454	L426-A430 PolarHBondContact O-N 3.41Å; A430-Y433 PolarHBondContact O-N 2.9Å; A430-F434 WeakPolarHBondContact O-CB 3.41Å; A430-F434 PolarHBondContact O-N 3.16Å; A430-V450 HydrophobicContact CB-CG1 4.32Å; A430-I453 HydrophobicContact CB-CG2 4Å; A430-L454 HydrophobicContact CB-CD2 4.17Å
431	R	75.8	Confident	68.5	Low	146 Å²	146	57.9 Å²	57.9	55%	0.551	28%	0.279	S	S	*	.	H	α-helix	trans	-64	-40.8	176.5	-72.7	173.9	-175.1	-179	2.6	112.8	L427 L428 Q429 F434 H435	L427-R431 WeakPolarHBondContact O-CB 3.44Å; L427-R431 VanDerWaalsContact O-CG 3.28Å; L427-R431 WeakPolarHBondContact O-CG 3.26Å; L427-R431 PolarHBondContact O-N 2.93Å; L428-R431 PolarHBondContact O-N 3.36Å; Q429-R431 VanDerWaalsContact C-N 3.35Å; Q429-R431 PolarHBondContact O-N 3.5Å; R431-F434 PolarHBondContact O-N 3.39Å; R431-H435 VanDerWaalsContact O-CB 3.32Å; R431-H435 WeakPolarHBondContact O-CB 3.49Å; R431-H435 PolarHBondContact O-N 3.32Å
432	L	75.1	Confident	67	Low	10 Å²	10	56.3 Å²	56.3	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-49.6	178.4	176.9	64.5	0	0	0	110.5	Y405 L408 R409 L412 L428 Q429 F434 H435 L436	Y405-L432 HydrophobicContact CD1-CD1 3.75Å; Y405-L432 HydrophobicContact CE1-CD1 4.29Å; L408-L432 HydrophobicContact CD2-CD1 3.91Å; L408-L432 HydrophobicContact CD2-CD2 4.32Å; L408-L432 HydrophobicContact CG-CD1 4.47Å; L408-L432 HydrophobicContact CG-CD2 4.02Å; R409-L432 HydrophobicContact CB-CD2 4.06Å; L412-L432 HydrophobicContact CD2-CD2 4.24Å; L428-L432 VanDerWaalsContact O-CB 3.26Å; L428-L432 WeakPolarHBondContact O-CB 3.36Å; L428-L432 PolarHBondContact O-N 3.06Å; Q429-L432 PolarHBondContact O-N 3.35Å; L432-F434 VanDerWaalsContact C-N 3.32Å; L432-F434 PolarHBondContact O-N 3.11Å; L432-H435 PolarHBondContact O-N 3.44Å; L432-L436 HydrophobicContact CD1-CD1 3.95Å; L432-L436 HydrophobicContact CD1-CG 4.12Å; L432-L436 HydrophobicContact CG-CD1 3.88Å; L432-L436 HydrophobicContact CG-CG 4.41Å; L432-L436 WeakPolarHBondContact O-CB 3.45Å; L432-L436 VanDerWaalsContact O-CG 3.24Å; L432-L436 WeakPolarHBondContact O-CG 3.49Å; L432-L436 PolarHBondContact O-N 3.05Å
433	Y	70.9	Confident	65.5	Low	1 Å²	1	52.9 Å²	52.9	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-36.2	177	-68	-16.6	0	0	0	112.5	R409 D413 Q429 A430 L436 G437 L446 K449 V450 I453	R409-Y433 HydrophobicContact CG-CE1 3.97Å; D413-Y433 VanDerWaalsContact CG-OH 3.23Å; D413-Y433 PolarHBondContact OD1-OH 3.37Å; D413-Y433 PolarHBondContact OD2-OH 3Å; Q429-Y433 HydrophobicContact CG-CD2 4.09Å; Q429-Y433 HydrophobicContact CG-CE1 4.47Å; Q429-Y433 HydrophobicContact CG-CE2 3.63Å; Q429-Y433 PolarHBondContact O-N 3.45Å; A430-Y433 PolarHBondContact O-N 2.9Å; Y433-L436 HydrophobicContact CD1-CD1 4.5Å; Y433-G437 PolarHBondContact O-N 3.48Å; Y433-L446 HydrophobicContact CD1-CD2 4.18Å; Y433-L446 HydrophobicContact CG-CD2 4.14Å; Y433-K449 HydrophobicContact CD2-CD 4.16Å; Y433-K449 HydrophobicContact CD2-CG 4.33Å; Y433-K449 HydrophobicContact CE2-CD 3.48Å; Y433-K449 VanDerWaalsContact CE2-CD 3.48Å; Y433-K449 HydrophobicContact CE2-CG 4Å; Y433-K449 PolarHBondContact OH-NZ 2.99Å; Y433-V450 HydrophobicContact CD2-CG2 4.45Å; Y433-I453 HydrophobicContact CD2-CD1 4Å; Y433-I453 HydrophobicContact CE2-CD1 4.05Å
434	F	64.5	Low	64	Low	33 Å²	33	56.1 Å²	56.1	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-49.7	172	-169.3	-89.4	0	0	0	111	A430 R431 L432 G437 I438 H474 T475	A430-F434 WeakPolarHBondContact O-CB 3.41Å; A430-F434 PolarHBondContact O-N 3.16Å; R431-F434 PolarHBondContact O-N 3.39Å; L432-F434 VanDerWaalsContact C-N 3.32Å; L432-F434 PolarHBondContact O-N 3.11Å; F434-G437 CarbonylContact O-C 3.58Å; F434-G437 WeakPolarHBondContact O-CA 3.49Å; F434-G437 PolarHBondContact O-N 2.83Å; F434-G437 VanDerWaalsContact O-N 3.13Å; F434-I438 HydrophobicContact CD1-CD1 4.26Å; F434-I438 HydrophobicContact CE1-CD1 4.04Å; F434-I438 HydrophobicContact CE1-CG1 4.24Å; F434-I438 WeakPolarHBondContact O-CG1 3.49Å; F434-I438 PolarHBondContact O-N 3.12Å; F434-H474 AromaticContact CE1-CE1 3.58Å; F434-H474 AromaticContact CE1-ND1 3.45Å; F434-H474 WeakPolarHBondContact CE1-ND1 3.45Å; F434-H474 AromaticContact CE2-ND1 3.61Å; F434-H474 AromaticContact CZ-CE1 3.28Å; F434-H474 WeakPolarHBondContact CZ-CE1 3.14Å; F434-H474 AromaticContact CZ-ND1 2.89Å; F434-H474 WeakPolarHBondContact CZ-ND1 3.23Å; F434-T475 WeakPolarHBondContact CD2-OG1 3.44Å
435	H	63.9	Low	62.6	Low	96 Å²	96	49.3 Å²	49.3	44%	0.444	24%	0.235	S	C	.	.	H	α-helix	trans	-67.4	-40.8	-180	-166.2	76.1	0	0	0	113	R431 L432 G437 I438	R431-H435 VanDerWaalsContact O-CB 3.32Å; R431-H435 WeakPolarHBondContact O-CB 3.49Å; R431-H435 PolarHBondContact O-N 3.32Å; L432-H435 PolarHBondContact O-N 3.44Å; H435-G437 PolarHBondContact O-N 2.96Å; H435-I438 WeakPolarHBondContact O-CB 3.28Å; H435-I438 PolarHBondContact O-N 2.88Å; H435-I438 VanDerWaalsContact O-N 3.08Å
436	L	62	Low	61.3	Low	35 Å²	35	49.6 Å²	49.6	18%	0.183	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-26.2	172.3	-70.3	173.8	0	0	0	112.1	Y405 L432 Y433	Y405-L436 HydrophobicContact CD1-CD2 4.25Å; Y405-L436 HydrophobicContact CG-CD2 4.2Å; L432-L436 HydrophobicContact CD1-CD1 3.95Å; L432-L436 HydrophobicContact CD1-CG 4.12Å; L432-L436 HydrophobicContact CG-CD1 3.88Å; L432-L436 HydrophobicContact CG-CG 4.41Å; L432-L436 WeakPolarHBondContact O-CB 3.45Å; L432-L436 VanDerWaalsContact O-CG 3.24Å; L432-L436 WeakPolarHBondContact O-CG 3.49Å; L432-L436 PolarHBondContact O-N 3.05Å; Y433-L436 HydrophobicContact CD1-CD1 4.5Å
437	G	51.3	Low	60.3	Low	7 Å²	7	49.7 Å²	49.7	7%	0.072	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.3	172.9	0	0	0	0	0	115.4	Y433 F434 H435 W439 S443	Y433-G437 PolarHBondContact O-N 3.48Å; F434-G437 CarbonylContact O-C 3.58Å; F434-G437 WeakPolarHBondContact O-CA 3.49Å; F434-G437 PolarHBondContact O-N 2.83Å; F434-G437 VanDerWaalsContact O-N 3.13Å; H435-G437 PolarHBondContact O-N 2.96Å; G437-W439 VanDerWaalsContact C-N 3.27Å; G437-W439 PolarHBondContact O-N 3.04Å; G437-S443 PolarHBondContact O-OG 2.85Å; G437-S443 VanDerWaalsContact O-OG 3.12Å
438	I	37.5	Very low	59.4	Low	90 Å²	90	52.2 Å²	52.2	46%	0.462	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.5	176.3	-64.2	173	0	0	0	112.1	F434 H435	F434-I438 HydrophobicContact CD1-CD1 4.26Å; F434-I438 HydrophobicContact CE1-CD1 4.04Å; F434-I438 HydrophobicContact CE1-CG1 4.24Å; F434-I438 WeakPolarHBondContact O-CG1 3.49Å; F434-I438 PolarHBondContact O-N 3.12Å; H435-I438 WeakPolarHBondContact O-CB 3.28Å; H435-I438 PolarHBondContact O-N 2.88Å; H435-I438 VanDerWaalsContact O-N 3.08Å
439	W	36	Very low	58.7	Low	143 Å²	143	52.7 Å²	52.7	54%	0.542	25%	0.251	S	S	.	.	S	Bend	trans	-72.9	131	166.3	-71.9	74.3	0	0	0	109.2	G437 E441 K442	G437-W439 VanDerWaalsContact C-N 3.27Å; G437-W439 PolarHBondContact O-N 3.04Å; W439-E441 PolarHBondContact O-N 3.08Å; W439-K442 PolarHBondContact O-N 3.15Å
440	P	33.6	Very low	58.1	Low	100 Å²	100	52.2 Å²	52.2	65%	0.649	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-12.5	-167.8	12	-24.2	0	0	0	115.7	K482	P440-K482 VanDerWaalsContact C-NZ 3.26Å; P440-K482 PolarHBondContact O-NZ 2.95Å
441	E	41.3	Very low	58	Low	69 Å²	69	53.7 Å²	53.7	32%	0.322	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	10.2	-174.4	-53.1	-173.8	175.2	0	0	116.9	E124 W439 R584	E124-E441 WeakPolarHBondContact CA-O 3.29Å; W439-E441 PolarHBondContact O-N 3.08Å; E441-R584 IonicContact OE2-NH1 3.13Å; E441-R584 IonicContact OE2-NH2 3.18Å
442	K	52.2	Low	58	Low	67 Å²	67	51.5 Å²	51.5	29%	0.291	26%	0.256	S	S	.	.			trans	-137.3	56.4	-166.1	-62.8	-175.4	-177.8	171.7	0	117.1	H125 W439	H125-K442 HydrophobicContact CB-CD 4.25Å; H125-K442 HydrophobicContact CB-CG 4.24Å; W439-K442 PolarHBondContact O-N 3.15Å
443	S	53.5	Low	58.2	Low	12 Å²	12	51.6 Å²	51.6	8%	0.084	26%	0.257	C	S	.	.			trans	-130.6	-7.7	-153.6	-56.6	0	0	0	0	121.6	G437 V447 K482	G437-S443 PolarHBondContact O-OG 2.85Å; G437-S443 VanDerWaalsContact O-OG 3.12Å; S443-V447 WeakPolarHBondContact O-CB 3.37Å; S443-V447 WeakPolarHBondContact O-CG2 3.24Å; S443-K482 VanDerWaalsContact CB-CD 3.48Å; S443-K482 WeakPolarHBondContact OG-CE 3.47Å; S443-K482 PolarHBondContact OG-NZ 3.2Å
444	F	53.2	Low	58.5	Low	96 Å²	96	51.6 Å²	51.6	42%	0.421	26%	0.256	S	S	.	.	S	Bend	trans	-88.2	-51.9	179.2	-161	-104.2	0	0	0	114.6	V447 L448 I479	F444-V447 WeakPolarHBondContact O-CB 3.3Å; F444-V447 PolarHBondContact O-N 2.95Å; F444-L448 HydrophobicContact CD1-CD1 4.4Å; F444-L448 HydrophobicContact CE1-CD1 3.99Å; F444-L448 HydrophobicContact CE1-CG 4.45Å; F444-L448 PolarHBondContact O-N 3.34Å; F444-I479 HydrophobicContact CE2-CG2 4.18Å
445	C	53.8	Low	59.2	Low	26 Å²	26	55.9 Å²	55.9	18%	0.176	28%	0.277	C	S	.	.	H	α-helix	trans	-79.6	-31.4	-171.4	-68	0	0	0	0	114.6	P127 V447 L448 K449	P127-C445 HydrophobicContact CB-CB 3.17Å; P127-C445 HydrophobicContact CG-CB 3.77Å; P127-C445 VanDerWaalsContact CG-SG 3.58Å; C445-V447 PolarHBondContact O-N 2.73Å; C445-L448 PolarHBondContact O-N 2.79Å; C445-K449 PolarHBondContact O-N 2.89Å; C445-K449 VanDerWaalsContact O-N 3.16Å
446	L	58.7	Low	60.1	Low	25 Å²	25	54.5 Å²	54.5	13%	0.131	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-32.9	172.6	-75.2	174.4	0	0	0	111	Y433 K449 V450	Y433-L446 HydrophobicContact CD1-CD2 4.18Å; Y433-L446 HydrophobicContact CG-CD2 4.14Å; L446-K449 PolarHBondContact O-N 2.92Å; L446-V450 VanDerWaalsContact O-CG2 3.28Å; L446-V450 WeakPolarHBondContact O-CG2 3.32Å; L446-V450 PolarHBondContact O-N 3.33Å
447	V	60.9	Low	60.9	Low	11 Å²	11	52.8 Å²	52.8	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-67.3	-43.9	176.8	164.6	0	0	0	0	111.7	S443 F444 C445 K449 V450 L451 T475 I479	S443-V447 WeakPolarHBondContact O-CB 3.37Å; S443-V447 WeakPolarHBondContact O-CG2 3.24Å; F444-V447 WeakPolarHBondContact O-CB 3.3Å; F444-V447 PolarHBondContact O-N 2.95Å; C445-V447 PolarHBondContact O-N 2.73Å; V447-K449 VanDerWaalsContact C-N 3.3Å; V447-K449 PolarHBondContact O-N 3.43Å; V447-V450 WeakPolarHBondContact O-CB 3.48Å; V447-V450 PolarHBondContact O-N 2.9Å; V447-V450 VanDerWaalsContact O-N 3.14Å; V447-L451 WeakPolarHBondContact O-CG 3.49Å; V447-L451 PolarHBondContact O-N 3.35Å; V447-T475 HydrophobicContact CB-CG2 4.1Å; V447-T475 HydrophobicContact CG1-CG2 3.26Å; V447-T475 HydrophobicContact CG2-CG2 4.02Å; V447-I479 HydrophobicContact CB-CD1 4.48Å; V447-I479 HydrophobicContact CB-CG1 4.38Å; V447-I479 HydrophobicContact CG1-CD1 3.22Å; V447-I479 HydrophobicContact CG1-CG1 3.48Å; V447-I479 VanDerWaalsContact CG1-CG1 3.48Å; V447-I479 HydrophobicContact CG2-CG1 4.49Å
448	L	63.1	Low	62.2	Low	71 Å²	71	55.8 Å²	55.8	37%	0.372	27%	0.274	S	S	.	.	H	α-helix	trans	-58	-44.3	173.2	-67.2	178.6	0	0	0	111.5	F444 C445 V450 L451 D452	F444-L448 HydrophobicContact CD1-CD1 4.4Å; F444-L448 HydrophobicContact CE1-CD1 3.99Å; F444-L448 HydrophobicContact CE1-CG 4.45Å; F444-L448 PolarHBondContact O-N 3.34Å; C445-L448 PolarHBondContact O-N 2.79Å; L448-V450 VanDerWaalsContact C-N 3.32Å; L448-V450 PolarHBondContact O-N 3.44Å; L448-L451 WeakPolarHBondContact O-CB 3.37Å; L448-L451 PolarHBondContact O-N 3.32Å; L448-L451 VanDerWaalsContact O-N 3.11Å; L448-D452 PolarHBondContact O-N 2.93Å
449	K	67.5	Low	64.4	Low	54 Å²	54	56.4 Å²	56.4	24%	0.235	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-38.3	176.2	-165.9	172.7	-177.2	-172.5	0	112.4	Y433 C445 L446 V447 D452 I453	Y433-K449 HydrophobicContact CD2-CD 4.16Å; Y433-K449 HydrophobicContact CD2-CG 4.33Å; Y433-K449 HydrophobicContact CE2-CD 3.48Å; Y433-K449 VanDerWaalsContact CE2-CD 3.48Å; Y433-K449 HydrophobicContact CE2-CG 4Å; Y433-K449 PolarHBondContact OH-NZ 2.99Å; C445-K449 PolarHBondContact O-N 2.89Å; C445-K449 VanDerWaalsContact O-N 3.16Å; L446-K449 PolarHBondContact O-N 2.92Å; V447-K449 VanDerWaalsContact C-N 3.3Å; V447-K449 PolarHBondContact O-N 3.43Å; K449-D452 PolarHBondContact O-N 2.84Å; K449-I453 HydrophobicContact CG-CD1 4.22Å; K449-I453 WeakPolarHBondContact O-CD1 3.17Å; K449-I453 WeakPolarHBondContact O-CG1 3.34Å; K449-I453 PolarHBondContact O-N 2.91Å
450	V	70.4	Confident	66.7	Low	3 Å²	3	52.7 Å²	52.7	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-44.1	173.5	168.6	0	0	0	0	110.5	A430 Y433 L446 V447 L448 D452 I453 L454	A430-V450 HydrophobicContact CB-CG1 4.32Å; Y433-V450 HydrophobicContact CD2-CG2 4.45Å; L446-V450 VanDerWaalsContact O-CG2 3.28Å; L446-V450 WeakPolarHBondContact O-CG2 3.32Å; L446-V450 PolarHBondContact O-N 3.33Å; V447-V450 WeakPolarHBondContact O-CB 3.48Å; V447-V450 PolarHBondContact O-N 2.9Å; V447-V450 VanDerWaalsContact O-N 3.14Å; L448-V450 VanDerWaalsContact C-N 3.32Å; L448-V450 PolarHBondContact O-N 3.44Å; V450-D452 PolarHBondContact O-N 3.13Å; V450-I453 PolarHBondContact O-N 3.18Å; V450-L454 HydrophobicContact CG1-CD1 3.66Å; V450-L454 HydrophobicContact CG1-CG 4.15Å; V450-L454 WeakPolarHBondContact O-CB 3.49Å; V450-L454 WeakPolarHBondContact O-CG 3.24Å; V450-L454 PolarHBondContact O-N 3.1Å
451	L	71.8	Confident	68.9	Low	33 Å²	33	50.6 Å²	50.6	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-43	177.6	-66.4	173.7	0	0	0	111.9	V447 L448 I453 L454 Q455 V472 T475	V447-L451 WeakPolarHBondContact O-CG 3.49Å; V447-L451 PolarHBondContact O-N 3.35Å; L448-L451 WeakPolarHBondContact O-CB 3.37Å; L448-L451 PolarHBondContact O-N 3.32Å; L448-L451 VanDerWaalsContact O-N 3.11Å; L451-I453 PolarHBondContact O-N 3.23Å; L451-L454 PolarHBondContact O-N 3.08Å; L451-Q455 WeakPolarHBondContact O-CG 3.46Å; L451-Q455 PolarHBondContact O-N 2.92Å; L451-V472 HydrophobicContact CD2-CG1 4.05Å; L451-V472 HydrophobicContact CD2-CG2 4.24Å; L451-T475 HydrophobicContact CD2-CG2 4.49Å
452	D	77.1	Confident	70.7	Confident	100 Å²	100	52 Å²	52	54%	0.535	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-44.7	176	-65.4	-22.9	0	0	0	111.6	L448 K449 V450 L454 Q455 H456	L448-D452 PolarHBondContact O-N 2.93Å; K449-D452 PolarHBondContact O-N 2.84Å; V450-D452 PolarHBondContact O-N 3.13Å; D452-L454 VanDerWaalsContact C-N 3.34Å; D452-L454 PolarHBondContact O-N 3.13Å; D452-Q455 PolarHBondContact O-N 3.31Å; D452-H456 WeakPolarHBondContact O-CB 3.47Å; D452-H456 PolarHBondContact O-N 3.15Å
453	I	78.1	Confident	71.8	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.062	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-44.9	176.3	-68.2	161	0	0	0	110.6	L426 Q429 A430 Y433 K449 V450 L451 H456 I457	L426-I453 HydrophobicContact CB-CG2 3.98Å; L426-I453 HydrophobicContact CD2-CG2 4.18Å; L426-I453 WeakPolarHBondContact O-CG2 3.28Å; Q429-I453 HydrophobicContact CB-CD1 4.36Å; Q429-I453 HydrophobicContact CG-CD1 3.94Å; A430-I453 HydrophobicContact CB-CG2 4Å; Y433-I453 HydrophobicContact CD2-CD1 4Å; Y433-I453 HydrophobicContact CE2-CD1 4.05Å; K449-I453 HydrophobicContact CG-CD1 4.22Å; K449-I453 WeakPolarHBondContact O-CD1 3.17Å; K449-I453 WeakPolarHBondContact O-CG1 3.34Å; K449-I453 PolarHBondContact O-N 2.91Å; V450-I453 PolarHBondContact O-N 3.18Å; L451-I453 PolarHBondContact O-N 3.23Å; I453-H456 PolarHBondContact O-N 3.38Å; I453-I457 HydrophobicContact CG2-CD1 3.83Å; I453-I457 HydrophobicContact CG2-CG1 4.49Å; I453-I457 WeakPolarHBondContact O-CD1 3.36Å; I453-I457 VanDerWaalsContact O-CG1 3.31Å; I453-I457 WeakPolarHBondContact O-CG1 3.45Å; I453-I457 PolarHBondContact O-N 2.89Å
454	L	77.3	Confident	72.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-39.4	-179.2	-72.6	177.5	0	0	0	111.9	A430 V450 L451 D452 I457 Q458 V468 L471 V472	A430-L454 HydrophobicContact CB-CD2 4.17Å; V450-L454 HydrophobicContact CG1-CD1 3.66Å; V450-L454 HydrophobicContact CG1-CG 4.15Å; V450-L454 WeakPolarHBondContact O-CB 3.49Å; V450-L454 WeakPolarHBondContact O-CG 3.24Å; V450-L454 PolarHBondContact O-N 3.1Å; L451-L454 PolarHBondContact O-N 3.08Å; D452-L454 VanDerWaalsContact C-N 3.34Å; D452-L454 PolarHBondContact O-N 3.13Å; L454-I457 HydrophobicContact CD2-CD1 4.23Å; L454-I457 PolarHBondContact O-N 3.28Å; L454-Q458 PolarHBondContact O-N 2.93Å; L454-Q458 VanDerWaalsContact O-N 3.12Å; L454-V468 HydrophobicContact CB-CG1 3.78Å; L454-V468 HydrophobicContact CD2-CB 4.43Å; L454-V468 HydrophobicContact CD2-CG1 4.04Å; L454-V468 HydrophobicContact CD2-CG2 4.19Å; L454-V468 HydrophobicContact CG-CG1 4.34Å; L454-L471 HydrophobicContact CD1-CB 3.82Å; L454-L471 HydrophobicContact CD2-CB 4.13Å; L454-L471 HydrophobicContact CD2-CD1 3.94Å; L454-V472 HydrophobicContact CB-CG2 4.08Å; L454-V472 HydrophobicContact CD1-CG2 3.58Å; L454-V472 HydrophobicContact CG-CG2 4.44Å
455	Q	80.6	Confident	73.7	Confident	123 Å²	123	55.7 Å²	55.7	58%	0.575	31%	0.306	S	S	*	.	H	α-helix	trans	-62.2	-45	171.3	-74.7	-179.4	6	0	0	111.2	L451 D452 I457 Q458 T459	L451-Q455 WeakPolarHBondContact O-CG 3.46Å; L451-Q455 PolarHBondContact O-N 2.92Å; D452-Q455 PolarHBondContact O-N 3.31Å; Q455-I457 VanDerWaalsContact C-N 3.34Å; Q455-I457 PolarHBondContact O-N 2.8Å; Q455-Q458 WeakPolarHBondContact O-CB 3.48Å; Q455-Q458 PolarHBondContact O-N 2.71Å; Q455-Q458 VanDerWaalsContact O-N 3.16Å; Q455-T459 PolarHBondContact O-N 3.33Å; Q455-T459 VanDerWaalsContact O-N 3.15Å
456	H	81.8	Confident	74.5	Confident	67 Å²	67	57.2 Å²	57.2	31%	0.31	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-41.6	177.3	-172.9	47	0	0	0	112.1	D421 D452 I453 Q458 T459 L460	D421-H456 IonicContact OD1-NE2 3.67Å; D452-H456 WeakPolarHBondContact O-CB 3.47Å; D452-H456 PolarHBondContact O-N 3.15Å; I453-H456 PolarHBondContact O-N 3.38Å; H456-Q458 VanDerWaalsContact C-N 3.32Å; H456-Q458 PolarHBondContact O-N 2.82Å; H456-T459 PolarHBondContact O-N 3.45Å; H456-T459 VanDerWaalsContact O-N 3.09Å; H456-T459 PolarHBondContact O-OG1 2.73Å; H456-L460 PolarHBondContact O-N 3.46Å; H456-L460 VanDerWaalsContact O-N 3.1Å
457	I	79.2	Confident	75	Confident	0 Å²	0	58 Å²	58	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.9	-42.5	174.4	-69	158.3	0	0	0	111.6	V423 L426 L427 I453 L454 Q455 T459 L460 D461 Q464 V468	V423-I457 HydrophobicContact CG1-CG2 4.03Å; L426-I457 HydrophobicContact CB-CD1 3.83Å; L426-I457 HydrophobicContact CB-CG1 3.72Å; L426-I457 HydrophobicContact CD1-CG1 4.11Å; L427-I457 HydrophobicContact CD2-CD1 3.74Å; L427-I457 HydrophobicContact CG-CD1 3.83Å; I453-I457 HydrophobicContact CG2-CD1 3.83Å; I453-I457 HydrophobicContact CG2-CG1 4.49Å; I453-I457 WeakPolarHBondContact O-CD1 3.36Å; I453-I457 VanDerWaalsContact O-CG1 3.31Å; I453-I457 WeakPolarHBondContact O-CG1 3.45Å; I453-I457 PolarHBondContact O-N 2.89Å; L454-I457 HydrophobicContact CD2-CD1 4.23Å; L454-I457 PolarHBondContact O-N 3.28Å; Q455-I457 VanDerWaalsContact C-N 3.34Å; Q455-I457 PolarHBondContact O-N 2.8Å; I457-T459 PolarHBondContact O-N 3.07Å; I457-L460 PolarHBondContact O-N 3.25Å; I457-L460 VanDerWaalsContact O-N 3.16Å; I457-D461 PolarHBondContact O-N 2.94Å; I457-Q464 HydrophobicContact CG2-CB 4.01Å; I457-Q464 HydrophobicContact CG2-CG 4.27Å; I457-V468 HydrophobicContact CB-CG2 4.24Å; I457-V468 HydrophobicContact CG2-CG2 3.71Å
458	Q	78.9	Confident	75.5	Confident	69 Å²	69	57.5 Å²	57.5	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-33.9	176.8	-73.8	178.7	-16	0	0	112.5	L454 Q455 H456 V468	L454-Q458 PolarHBondContact O-N 2.93Å; L454-Q458 VanDerWaalsContact O-N 3.12Å; Q455-Q458 WeakPolarHBondContact O-CB 3.48Å; Q455-Q458 PolarHBondContact O-N 2.71Å; Q455-Q458 VanDerWaalsContact O-N 3.16Å; H456-Q458 VanDerWaalsContact C-N 3.32Å; H456-Q458 PolarHBondContact O-N 2.82Å; Q458-V468 HydrophobicContact CG-CB 4.21Å; Q458-V468 HydrophobicContact CG-CG1 3.77Å; Q458-V468 HydrophobicContact CG-CG2 4.36Å
459	T	82.8	Confident	75.7	Confident	104 Å²	104	55.4 Å²	55.4	64%	0.638	33%	0.329	S	S	*	.	H	α-helix	trans	-70.9	-34.4	175.3	64.4	0	0	0	0	112.9	Q455 H456 I457	Q455-T459 PolarHBondContact O-N 3.33Å; Q455-T459 VanDerWaalsContact O-N 3.15Å; H456-T459 PolarHBondContact O-N 3.45Å; H456-T459 VanDerWaalsContact O-N 3.09Å; H456-T459 PolarHBondContact O-OG1 2.73Å; I457-T459 PolarHBondContact O-N 3.07Å
460	L	84.2	Confident	75.9	Confident	64 Å²	64	60.1 Å²	60.1	34%	0.335	35%	0.347	S	S	.	.	H	α-helix	trans	-83.5	-40.4	-177.3	-69.1	175.9	0	0	0	113.4	D421 V423 L426 H456 I457	D421-L460 HydrophobicContact CB-CD1 4.29Å; D421-L460 HydrophobicContact CB-CD2 4.24Å; V423-L460 HydrophobicContact CG2-CB 3.88Å; V423-L460 HydrophobicContact CG2-CD1 4.14Å; L426-L460 HydrophobicContact CD1-CD1 3.78Å; H456-L460 PolarHBondContact O-N 3.46Å; H456-L460 VanDerWaalsContact O-N 3.1Å; I457-L460 PolarHBondContact O-N 3.25Å; I457-L460 VanDerWaalsContact O-N 3.16Å
461	D	81.1	Confident	75.7	Confident	57 Å²	57	61.1 Å²	61.1	31%	0.305	35%	0.352	S	S	.	.			trans	-141.9	92.9	-178.9	-177.9	7.6	0	0	0	111.1	V423 I457 G463 Q464	V423-D461 HydrophobicContact CG1-CB 4.48Å; V423-D461 HydrophobicContact CG2-CB 4.27Å; I457-D461 PolarHBondContact O-N 2.94Å; D461-G463 PolarHBondContact O-N 2.96Å; D461-G463 WeakPolarHBondContact OD1-CA 3.15Å; D461-G463 PolarHBondContact OD1-N 3.36Å; D461-Q464 HydrophobicContact CB-CG 4.24Å; D461-Q464 PolarHBondContact O-N 3.44Å; D461-Q464 VanDerWaalsContact O-N 3.12Å; D461-Q464 WeakPolarHBondContact OD2-CG 3.16Å; D461-Q464 PolarHBondContact OD2-NE2 3.4Å
462	P	78.1	Confident	75.6	Confident	99 Å²	99	61.3 Å²	61.3	64%	0.643	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-58.2	-19	175.8	-25.6	35.1	0	0	0	114	Q464 H465	P462-Q464 PolarHBondContact O-N 3.15Å; P462-H465 WeakPolarHBondContact O-CB 3.34Å; P462-H465 PolarHBondContact O-N 3.28Å
463	G	76.4	Confident	75.3	Confident	64 Å²	64	62.1 Å²	62.1	66%	0.66	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-67.2	-19.4	176.7	0	0	0	0	0	114.2	D461 H465	D461-G463 PolarHBondContact O-N 2.96Å; D461-G463 WeakPolarHBondContact OD1-CA 3.15Å; D461-G463 PolarHBondContact OD1-N 3.36Å; G463-H465 VanDerWaalsContact C-N 3.26Å; G463-H465 PolarHBondContact O-N 3.41Å
464	Q	73.5	Confident	74.8	Confident	62 Å²	62	64.6 Å²	64.6	29%	0.29	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-82.7	5	176.3	-60.9	-57.7	-42.2	0	0	113.8	V423 I457 D461 P462 G466 A467 V468	V423-Q464 HydrophobicContact CG1-CG 4.25Å; I457-Q464 HydrophobicContact CG2-CB 4.01Å; I457-Q464 HydrophobicContact CG2-CG 4.27Å; D461-Q464 HydrophobicContact CB-CG 4.24Å; D461-Q464 PolarHBondContact O-N 3.44Å; D461-Q464 VanDerWaalsContact O-N 3.12Å; D461-Q464 WeakPolarHBondContact OD2-CG 3.16Å; D461-Q464 PolarHBondContact OD2-NE2 3.4Å; P462-Q464 PolarHBondContact O-N 3.15Å; Q464-G466 PolarHBondContact O-N 3.28Å; Q464-G466 VanDerWaalsContact O-N 3.09Å; Q464-A467 PolarHBondContact O-N 2.93Å; Q464-V468 HydrophobicContact CB-CG2 4.13Å; Q464-V468 WeakPolarHBondContact O-CG2 3.24Å; Q464-V468 PolarHBondContact O-N 3.3Å
465	H	72.6	Confident	74.2	Confident	125 Å²	125	64.6 Å²	64.6	58%	0.579	37%	0.366	S	S	*	.	H	α-helix	trans	-51.6	-39.6	-171.8	-166.7	85	0	0	0	113.7	P462 G463 G469	P462-H465 WeakPolarHBondContact O-CB 3.34Å; P462-H465 PolarHBondContact O-N 3.28Å; G463-H465 VanDerWaalsContact C-N 3.26Å; G463-H465 PolarHBondContact O-N 3.41Å; H465-G469 PolarHBondContact O-N 3.41Å
466	G	70.9	Confident	73.6	Confident	59 Å²	59	62.5 Å²	62.5	61%	0.608	36%	0.358	S	S	*	.	H	α-helix	trans	-67.2	-44.9	178.3	0	0	0	0	0	113.9	Q464 G469 Y470	Q464-G466 PolarHBondContact O-N 3.28Å; Q464-G466 VanDerWaalsContact O-N 3.09Å; G466-G469 PolarHBondContact O-N 3.38Å; G466-Y470 PolarHBondContact O-N 2.79Å
467	A	68.6	Low	72.8	Confident	41 Å²	41	62.4 Å²	62.4	34%	0.339	36%	0.358	S	S	.	.	H	α-helix	trans	-69.5	-39.4	178.7	0	0	0	0	0	111.7	Q464 L471	Q464-A467 PolarHBondContact O-N 2.93Å; A467-L471 WeakPolarHBondContact O-CG 3.26Å; A467-L471 PolarHBondContact O-N 2.72Å; A467-L471 VanDerWaalsContact O-N 3.14Å
468	V	72.1	Confident	72.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.5	-46.7	174.1	173.9	0	0	0	0	110.7	L454 I457 Q458 Q464 Y470 L471 V472	L454-V468 HydrophobicContact CB-CG1 3.78Å; L454-V468 HydrophobicContact CD2-CB 4.43Å; L454-V468 HydrophobicContact CD2-CG1 4.04Å; L454-V468 HydrophobicContact CD2-CG2 4.19Å; L454-V468 HydrophobicContact CG-CG1 4.34Å; I457-V468 HydrophobicContact CB-CG2 4.24Å; I457-V468 HydrophobicContact CG2-CG2 3.71Å; Q458-V468 HydrophobicContact CG-CB 4.21Å; Q458-V468 HydrophobicContact CG-CG1 3.77Å; Q458-V468 HydrophobicContact CG-CG2 4.36Å; Q464-V468 HydrophobicContact CB-CG2 4.13Å; Q464-V468 WeakPolarHBondContact O-CG2 3.24Å; Q464-V468 PolarHBondContact O-N 3.3Å; V468-Y470 VanDerWaalsContact C-N 3.33Å; V468-Y470 PolarHBondContact O-N 3.47Å; V468-L471 PolarHBondContact O-N 2.92Å; V468-L471 VanDerWaalsContact O-N 3.15Å; V468-V472 HydrophobicContact CG1-CG2 4.02Å; V468-V472 WeakPolarHBondContact O-CG2 3.39Å; V468-V472 PolarHBondContact O-N 2.85Å
469	G	66.4	Low	71.2	Confident	28 Å²	28	62.1 Å²	62.1	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-57.1	-44.2	178.2	0	0	0	0	0	112.6	H465 G466 V472 Q473	H465-G469 PolarHBondContact O-N 3.41Å; G466-G469 PolarHBondContact O-N 3.38Å; G469-V472 PolarHBondContact O-N 3.32Å; G469-Q473 WeakPolarHBondContact O-CB 3.46Å; G469-Q473 PolarHBondContact O-N 3.18Å
470	Y	72.1	Confident	70.1	Confident	153 Å²	153	63.5 Å²	63.5	60%	0.6	36%	0.356	S	S	*	.	H	α-helix	trans	-59.6	-47.6	173.9	176.7	-96.6	0	0	0	112.4	G466 V468 Q473 H474	G466-Y470 PolarHBondContact O-N 2.79Å; V468-Y470 VanDerWaalsContact C-N 3.33Å; V468-Y470 PolarHBondContact O-N 3.47Å; Y470-Q473 PolarHBondContact O-N 3.04Å; Y470-H474 VanDerWaalsContact O-CB 3.3Å; Y470-H474 WeakPolarHBondContact O-CB 3.47Å; Y470-H474 PolarHBondContact O-N 3.07Å
471	L	67.1	Low	68.8	Low	23 Å²	23	67.8 Å²	67.8	12%	0.12	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-40.1	179.4	-72.6	172.3	0	0	0	112.2	L427 L454 A467 V468 T475	L427-L471 HydrophobicContact CD2-CD1 4.47Å; L454-L471 HydrophobicContact CD1-CB 3.82Å; L454-L471 HydrophobicContact CD2-CB 4.13Å; L454-L471 HydrophobicContact CD2-CD1 3.94Å; A467-L471 WeakPolarHBondContact O-CG 3.26Å; A467-L471 PolarHBondContact O-N 2.72Å; A467-L471 VanDerWaalsContact O-N 3.14Å; V468-L471 PolarHBondContact O-N 2.92Å; V468-L471 VanDerWaalsContact O-N 3.15Å; L471-T475 WeakPolarHBondContact O-CB 3.28Å; L471-T475 PolarHBondContact O-N 3.27Å; L471-T475 PolarHBondContact O-OG1 2.85Å
472	V	69.6	Low	67.5	Low	37 Å²	37	67.1 Å²	67.1	22%	0.224	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-50.5	175.7	171.5	0	0	0	0	110.2	L451 L454 V468 G469 H474 T475 L476	L451-V472 HydrophobicContact CD2-CG1 4.05Å; L451-V472 HydrophobicContact CD2-CG2 4.24Å; L454-V472 HydrophobicContact CB-CG2 4.08Å; L454-V472 HydrophobicContact CD1-CG2 3.58Å; L454-V472 HydrophobicContact CG-CG2 4.44Å; V468-V472 HydrophobicContact CG1-CG2 4.02Å; V468-V472 WeakPolarHBondContact O-CG2 3.39Å; V468-V472 PolarHBondContact O-N 2.85Å; G469-V472 PolarHBondContact O-N 3.32Å; V472-H474 PolarHBondContact O-N 3.14Å; V472-T475 WeakPolarHBondContact O-CB 3.45Å; V472-T475 PolarHBondContact O-N 3.36Å; V472-L476 HydrophobicContact CG1-CD1 3.85Å; V472-L476 HydrophobicContact CG1-CG 4.33Å; V472-L476 WeakPolarHBondContact O-CG 3.46Å; V472-L476 PolarHBondContact O-N 3.17Å
473	Q	70.6	Confident	66.2	Low	118 Å²	118	69.6 Å²	69.6	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-59.1	-49.5	179.9	-178.1	-179.9	-16.9	0	0	111.3	G469 Y470 T475 L476 E477	G469-Q473 WeakPolarHBondContact O-CB 3.46Å; G469-Q473 PolarHBondContact O-N 3.18Å; Y470-Q473 PolarHBondContact O-N 3.04Å; Q473-T475 VanDerWaalsContact C-N 3.26Å; Q473-T475 PolarHBondContact O-N 2.71Å; Q473-L476 PolarHBondContact O-N 3.07Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.48Å; Q473-E477 PolarHBondContact NE2-OE1 3.07Å; Q473-E477 WeakPolarHBondContact O-CG 3.46Å; Q473-E477 PolarHBondContact O-N 2.68Å
474	H	66.9	Low	64.7	Low	63 Å²	63	74.7 Å²	74.7	29%	0.292	37%	0.37	S	S	.	.	H	α-helix	trans	-64.3	-32.4	179.4	-168.2	-97.5	0	0	0	112.4	F434 Y470 V472 H478	F434-H474 AromaticContact CE1-CE1 3.58Å; F434-H474 AromaticContact CE1-ND1 3.45Å; F434-H474 WeakPolarHBondContact CE1-ND1 3.45Å; F434-H474 AromaticContact CE2-ND1 3.61Å; F434-H474 AromaticContact CZ-CE1 3.28Å; F434-H474 WeakPolarHBondContact CZ-CE1 3.14Å; F434-H474 AromaticContact CZ-ND1 2.89Å; F434-H474 WeakPolarHBondContact CZ-ND1 3.23Å; Y470-H474 VanDerWaalsContact O-CB 3.3Å; Y470-H474 WeakPolarHBondContact O-CB 3.47Å; Y470-H474 PolarHBondContact O-N 3.07Å; V472-H474 PolarHBondContact O-N 3.14Å; H474-H478 WeakPolarHBondContact O-CB 3.41Å; H474-H478 PolarHBondContact O-N 3.31Å; H474-H478 VanDerWaalsContact O-N 3.17Å
475	T	65.3	Low	63.7	Low	1 Å²	1	79 Å²	79	1%	0.006	39%	0.39	C	S	.	.	H	α-helix	trans	-68	-45.2	173.6	-60.1	0	0	0	0	111.5	F434 V447 L451 L471 V472 Q473 H478 I479	F434-T475 WeakPolarHBondContact CD2-OG1 3.44Å; V447-T475 HydrophobicContact CB-CG2 4.1Å; V447-T475 HydrophobicContact CG1-CG2 3.26Å; V447-T475 HydrophobicContact CG2-CG2 4.02Å; L451-T475 HydrophobicContact CD2-CG2 4.49Å; L471-T475 WeakPolarHBondContact O-CB 3.28Å; L471-T475 PolarHBondContact O-N 3.27Å; L471-T475 PolarHBondContact O-OG1 2.85Å; V472-T475 WeakPolarHBondContact O-CB 3.45Å; V472-T475 PolarHBondContact O-N 3.36Å; Q473-T475 VanDerWaalsContact C-N 3.26Å; Q473-T475 PolarHBondContact O-N 2.71Å; T475-H478 WeakPolarHBondContact O-CB 3.48Å; T475-H478 PolarHBondContact O-N 3.41Å; T475-I479 WeakPolarHBondContact O-CG1 3.39Å; T475-I479 PolarHBondContact O-N 3.24Å; T475-I479 VanDerWaalsContact O-N 3.09Å
476	L	67.1	Low	62.4	Low	78 Å²	78	79.1 Å²	79.1	41%	0.408	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-43.6	177.4	-68.7	172.1	0	0	0	112	V472 Q473 H478 I479 E480	V472-L476 HydrophobicContact CG1-CD1 3.85Å; V472-L476 HydrophobicContact CG1-CG 4.33Å; V472-L476 WeakPolarHBondContact O-CG 3.46Å; V472-L476 PolarHBondContact O-N 3.17Å; Q473-L476 PolarHBondContact O-N 3.07Å; L476-H478 PolarHBondContact O-N 3.06Å; L476-I479 HydrophobicContact CD2-CD1 4.03Å; L476-I479 WeakPolarHBondContact O-CB 3.05Å; L476-I479 PolarHBondContact O-N 3.05Å; L476-I479 VanDerWaalsContact O-N 3.1Å; L476-E480 PolarHBondContact O-N 3.48Å
477	E	66.3	Low	61.7	Low	65 Å²	65	79.1 Å²	79.1	30%	0.304	40%	0.399	S	S	.	.	H	α-helix	trans	-58.4	-36.9	174.3	-73.4	175.2	-164.3	0	0	111.9	Q473 E480 R481	Q473-E477 WeakPolarHBondContact CG-OE1 3.48Å; Q473-E477 PolarHBondContact NE2-OE1 3.07Å; Q473-E477 WeakPolarHBondContact O-CG 3.46Å; Q473-E477 PolarHBondContact O-N 2.68Å; E477-E480 PolarHBondContact O-N 2.89Å; E477-R481 WeakPolarHBondContact O-CG 3.12Å; E477-R481 PolarHBondContact O-N 2.72Å; E477-R481 VanDerWaalsContact O-N 3.14Å; E477-R481 IonicContact OE2-NH2 2.76Å
478	H	62.9	Low	61.5	Low	41 Å²	41	81.3 Å²	81.3	19%	0.19	41%	0.408	C	S	.	.	H	α-helix	trans	-68.9	-37.2	176	-165.1	82.6	0	0	0	112.6	H474 T475 L476 K482	H474-H478 WeakPolarHBondContact O-CB 3.41Å; H474-H478 PolarHBondContact O-N 3.31Å; H474-H478 VanDerWaalsContact O-N 3.17Å; T475-H478 WeakPolarHBondContact O-CB 3.48Å; T475-H478 PolarHBondContact O-N 3.41Å; L476-H478 PolarHBondContact O-N 3.06Å; H478-K482 WeakPolarHBondContact NE2-CE 3.13Å; H478-K482 PolarHBondContact O-N 3.22Å
479	I	60.9	Low	61.7	Low	23 Å²	23	87.4 Å²	87.4	12%	0.118	44%	0.436	C	S	.	.	H	α-helix	trans	-63.7	-45	173.8	-60.9	166.2	0	0	0	110.5	F444 V447 T475 L476 K482 K483	F444-I479 HydrophobicContact CE2-CG2 4.18Å; V447-I479 HydrophobicContact CB-CD1 4.48Å; V447-I479 HydrophobicContact CB-CG1 4.38Å; V447-I479 HydrophobicContact CG1-CD1 3.22Å; V447-I479 HydrophobicContact CG1-CG1 3.48Å; V447-I479 VanDerWaalsContact CG1-CG1 3.48Å; V447-I479 HydrophobicContact CG2-CG1 4.49Å; T475-I479 WeakPolarHBondContact O-CG1 3.39Å; T475-I479 PolarHBondContact O-N 3.24Å; T475-I479 VanDerWaalsContact O-N 3.09Å; L476-I479 HydrophobicContact CD2-CD1 4.03Å; L476-I479 WeakPolarHBondContact O-CB 3.05Å; L476-I479 PolarHBondContact O-N 3.05Å; L476-I479 VanDerWaalsContact O-N 3.1Å; I479-K482 PolarHBondContact O-N 3.22Å; I479-K483 PolarHBondContact O-N 2.95Å
480	E	58.8	Low	62.8	Low	133 Å²	133	89.6 Å²	89.6	62%	0.621	44%	0.444	S	S	*	.	H	α-helix	trans	-62.8	-45.8	-177.6	-75.6	-178.4	168.5	0	0	111.6	L476 E477 K482 K483	L476-E480 PolarHBondContact O-N 3.48Å; E477-E480 PolarHBondContact O-N 2.89Å; E480-K482 VanDerWaalsContact C-N 3.3Å; E480-K482 PolarHBondContact O-N 2.89Å; E480-K483 PolarHBondContact O-N 3.46Å
481	R	58	Low	63.7	Low	154 Å²	154	83 Å²	83	58%	0.581	42%	0.418	S	S	*	.	H	α-helix	trans	-59.9	-37.4	175.1	-69.8	-178.8	-161.9	153.8	12.3	113	E477 E484	E477-R481 WeakPolarHBondContact O-CG 3.12Å; E477-R481 PolarHBondContact O-N 2.72Å; E477-R481 VanDerWaalsContact O-N 3.14Å; E477-R481 IonicContact OE2-NH2 2.76Å; R481-E484 PolarHBondContact O-N 3.42Å
482	K	53.9	Low	64.9	Low	43 Å²	43	85 Å²	85	19%	0.187	43%	0.429	C	S	.	.	H	α-helix	trans	-77.6	-27.6	179.9	-76.3	-159.6	174.6	-161.2	0	114.4	P440 S443 H478 I479 E480 E484 E485 V486	P440-K482 VanDerWaalsContact C-NZ 3.26Å; P440-K482 PolarHBondContact O-NZ 2.95Å; S443-K482 VanDerWaalsContact CB-CD 3.48Å; S443-K482 WeakPolarHBondContact OG-CE 3.47Å; S443-K482 PolarHBondContact OG-NZ 3.2Å; H478-K482 WeakPolarHBondContact NE2-CE 3.13Å; H478-K482 PolarHBondContact O-N 3.22Å; I479-K482 PolarHBondContact O-N 3.22Å; E480-K482 VanDerWaalsContact C-N 3.3Å; E480-K482 PolarHBondContact O-N 2.89Å; K482-E484 PolarHBondContact O-N 3.2Å; K482-E485 PolarHBondContact O-N 2.84Å; K482-V486 VanDerWaalsContact O-CG2 3.26Å; K482-V486 WeakPolarHBondContact O-CG2 3.35Å
483	K	50.7	Low	65.9	Low	150 Å²	150	84.4 Å²	84.4	65%	0.652	42%	0.423	S	S	*	.	H	α-helix	trans	-61.7	-23.5	172.7	-90.6	-176.8	174	178.4	0	112.6	I479 E480	I479-K483 PolarHBondContact O-N 2.95Å; E480-K483 PolarHBondContact O-N 3.46Å
484	E	45.4	Very low	66.9	Low	172 Å²	172	83 Å²	83	80%	0.804	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.9	179	-65.7	-179.6	160.3	0	0	113.5	R481 K482	R481-E484 PolarHBondContact O-N 3.42Å; K482-E484 PolarHBondContact O-N 3.2Å
485	E	50.8	Low	68.1	Low	153 Å²	153	82.3 Å²	82.3	72%	0.715	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	7.4	-177.3	-70.4	-179.4	162.5	0	0	114.4	K482 G487	K482-E485 PolarHBondContact O-N 2.84Å; E485-G487 VanDerWaalsContact C-N 3.31Å; E485-G487 PolarHBondContact O-N 3.18Å
486	V	46.7	Very low	69.3	Low	127 Å²	127	89.2 Å²	89.2	77%	0.77	46%	0.456	S	S	*	.			trans	-82.5	70.2	-166.6	-166.9	0	0	0	0	112.7	K482	K482-V486 VanDerWaalsContact O-CG2 3.26Å; K482-V486 WeakPolarHBondContact O-CG2 3.35Å
487	G	55.8	Low	70.4	Confident	59 Å²	59	92.4 Å²	92.4	61%	0.608	47%	0.467	S	S	*	.	S	Bend	trans	-126.3	135	156.8	0	0	0	0	0	109.2	E485 E489	E485-G487 VanDerWaalsContact C-N 3.31Å; E485-G487 PolarHBondContact O-N 3.18Å; G487-E489 PolarHBondContact O-N 2.89Å
488	V	64.3	Low	71.7	Confident	86 Å²	86	89.8 Å²	89.8	52%	0.521	46%	0.455	S	S	.	.			trans	-68.9	102	166.2	179	0	0	0	0	106.4	V490 I602 R603	V488-V490 PolarHBondContact O-N 3.31Å; V488-I602 HydrophobicContact CG1-CG2 4.42Å; V488-R603 HydrophobicContact CG1-CG 3.79Å
489	E	75.9	Confident	73.1	Confident	129 Å²	129	96.3 Å²	96.3	60%	0.603	48%	0.478	S	S	*	.			trans	-66.7	118.6	177.6	-170.3	-178.1	-158.3	0	0	109.5	G487 K491	G487-E489 PolarHBondContact O-N 2.89Å; E489-K491 HydrophobicContact CG-CG 4.36Å; E489-K491 WeakPolarHBondContact OE2-CE 3.31Å
490	V	89.1	Confident	74.6	Confident	74 Å²	74	99.5 Å²	99.5	45%	0.448	50%	0.495	S	S	.	.			trans	-93	121.8	173.8	-179.4	0	0	0	0	108	V488 L492 P605	V488-V490 PolarHBondContact O-N 3.31Å; V490-L492 HydrophobicContact CG1-CD2 4.01Å; V490-L492 HydrophobicContact CG1-CG 4.47Å; V490-P605 HydrophobicContact CG1-CG 3.91Å
491	K	91.3	Very high	76.4	Confident	13 Å²	13	93.8 Å²	93.8	6%	0.057	47%	0.469	C	S	.	.			trans	-105.5	107.7	-177.1	-70.8	178.9	172	173.1	0	110	E489 W523 D524 R603 Y604	E489-K491 HydrophobicContact CG-CG 4.36Å; E489-K491 WeakPolarHBondContact OE2-CE 3.31Å; K491-W523 HydrophobicContact CB-CH2 3.57Å; K491-W523 HydrophobicContact CB-CZ2 3.8Å; K491-W523 HydrophobicContact CB-CZ3 4.09Å; K491-W523 HydrophobicContact CD-CE3 4.24Å; K491-W523 HydrophobicContact CD-CH2 4.41Å; K491-W523 HydrophobicContact CD-CZ3 4.11Å; K491-W523 HydrophobicContact CG-CH2 4.39Å; K491-W523 HydrophobicContact CG-CZ3 4.44Å; K491-W523 PolarHBondContact NZ-O 3.49Å; K491-D524 IonicContact NZ-OD1 2.72Å; K491-D524 PolarHBondContact NZ-OD1 2.82Å; K491-R603 PolarHBondContact N-O 2.79Å; K491-Y604 HydrophobicContact CB-CD1 3.95Å; K491-Y604 HydrophobicContact CB-CE1 3.97Å; K491-Y604 HydrophobicContact CD-CD1 4.43Å; K491-Y604 HydrophobicContact CD-CE1 3.6Å; K491-Y604 HydrophobicContact CG-CE1 4.34Å
492	L	92.8	Very high	78.1	Confident	66 Å²	66	89.9 Å²	89.9	35%	0.346	46%	0.464	S	S	.	.			trans	-94.7	129.9	179	-57.1	177.8	0	0	0	110.3	V490 S494 D495 H498 P605 E606	V490-L492 HydrophobicContact CG1-CD2 4.01Å; V490-L492 HydrophobicContact CG1-CG 4.47Å; L492-S494 PolarHBondContact O-N 3.43Å; L492-D495 HydrophobicContact CB-CB 4.49Å; L492-D495 WeakPolarHBondContact O-CB 3.26Å; L492-D495 PolarHBondContact O-N 2.59Å; L492-H498 PolarHBondContact O-ND1 2.84Å; L492-P605 HydrophobicContact CD2-CG 3.51Å; L492-E606 HydrophobicContact CD2-CG 4.37Å
493	R	90.8	Very high	80.1	Confident	25 Å²	25	89.1 Å²	89.1	9%	0.094	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.5	171.4	-67.7	-75.1	176.2	166.5	-5.8	112.4	D495 V501 Y503 S504 E606 D607 F610	R493-D495 PolarHBondContact O-N 3.31Å; R493-V501 PolarHBondContact NH1-O 3.22Å; R493-Y503 PolarHBondContact NH2-O 2.75Å; R493-S504 VanDerWaalsContact NH2-CA 3.32Å; R493-E606 VanDerWaalsContact CA-OE2 3.25Å; R493-E606 WeakPolarHBondContact CA-OE2 3.33Å; R493-E606 HydrophobicContact CB-CB 4.28Å; R493-E606 WeakPolarHBondContact CB-OE2 3.37Å; R493-E606 HydrophobicContact CG-CB 4.19Å; R493-E606 PolarHBondContact N-OE2 3.48Å; R493-D607 IonicContact CZ-OD1 2.75Å; R493-D607 IonicContact CZ-OD2 3.86Å; R493-D607 IonicContact NE-OD1 3.67Å; R493-D607 PolarHBondContact NE-OD1 3.2Å; R493-D607 IonicContact NE-OD2 3.22Å; R493-D607 IonicContact NH2-OD1 3.75Å; R493-D607 PolarHBondContact NH2-OD1 2.91Å; R493-D607 IonicContact NH2-OD2 3.44Å; R493-D607 PolarHBondContact NH2-OD2 2.89Å; R493-F610 HydrophobicContact CB-CD2 4.34Å; R493-F610 HydrophobicContact CB-CE2 3.62Å; R493-F610 HydrophobicContact CB-CZ 4.01Å; R493-F610 HydrophobicContact CG-CD2 3.9Å; R493-F610 HydrophobicContact CG-CE2 3.68Å; R493-F610 HydrophobicContact CG-CZ 4.36Å
494	S	91.8	Very high	82.2	Confident	88 Å²	88	82.1 Å²	82.1	62%	0.615	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.5	177.7	57.6	0	0	0	0	114.1	L492 E606	L492-S494 PolarHBondContact O-N 3.43Å; S494-E606 PolarHBondContact N-OE2 3.44Å; S494-E606 PolarHBondContact OG-OE1 3.24Å; S494-E606 PolarHBondContact OG-OE2 3.17Å
495	D	92.4	Very high	84.7	Confident	48 Å²	48	74 Å²	74	26%	0.257	39%	0.393	S	S	.	.	S	Bend	trans	-71.3	132.6	176.1	-163.6	-24.2	0	0	0	110.8	L492 R493 K497 H498	L492-D495 HydrophobicContact CB-CB 4.49Å; L492-D495 WeakPolarHBondContact O-CB 3.26Å; L492-D495 PolarHBondContact O-N 2.59Å; R493-D495 PolarHBondContact O-N 3.31Å; D495-K497 PolarHBondContact O-N 2.92Å; D495-K497 VanDerWaalsContact O-N 3.11Å; D495-K497 WeakPolarHBondContact OD1-CE 3.4Å; D495-K497 VanDerWaalsContact OD1-CG 3.31Å; D495-K497 WeakPolarHBondContact OD1-CG 3.26Å; D495-K497 PolarHBondContact OD1-N 2.79Å; D495-K497 IonicContact OD1-NZ 3.87Å; D495-K497 WeakPolarHBondContact OD2-CD 3.23Å; D495-K497 WeakPolarHBondContact OD2-CE 3.27Å; D495-K497 IonicContact OD2-NZ 3.82Å; D495-K497 PolarHBondContact OD2-NZ 2.93Å; D495-H498 PolarHBondContact O-N 2.99Å
496	E	90.6	Very high	86.9	Confident	146 Å²	146	66.8 Å²	66.8	68%	0.682	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-57.8	-30.6	-177.5	-170.8	177	-177.5	0	0	112.4	H498 R499	E496-H498 PolarHBondContact O-N 3.18Å; E496-R499 WeakPolarHBondContact O-CB 3.25Å; E496-R499 WeakPolarHBondContact O-CG 3.36Å; E496-R499 PolarHBondContact O-N 2.84Å
497	K	90	Very high	89.3	Confident	145 Å²	145	60.8 Å²	60.8	63%	0.63	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-60.3	-25.6	175.2	-51.7	166.1	-156.4	153.2	0	112.9	D495 P525	D495-K497 PolarHBondContact O-N 2.92Å; D495-K497 VanDerWaalsContact O-N 3.11Å; D495-K497 WeakPolarHBondContact OD1-CE 3.4Å; D495-K497 VanDerWaalsContact OD1-CG 3.31Å; D495-K497 WeakPolarHBondContact OD1-CG 3.26Å; D495-K497 PolarHBondContact OD1-N 2.79Å; D495-K497 IonicContact OD1-NZ 3.87Å; D495-K497 WeakPolarHBondContact OD2-CD 3.23Å; D495-K497 WeakPolarHBondContact OD2-CE 3.27Å; D495-K497 IonicContact OD2-NZ 3.82Å; D495-K497 PolarHBondContact OD2-NZ 2.93Å; K497-P525 WeakPolarHBondContact O-CB 3.36Å
498	H	93.3	Very high	91.2	Very high	11 Å²	11	58 Å²	58	5%	0.051	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-107	4.8	-170.8	-54.3	156.2	0	0	0	112.6	L492 D495 E496 D500 V501 W523	L492-H498 PolarHBondContact O-ND1 2.84Å; D495-H498 PolarHBondContact O-N 2.99Å; E496-H498 PolarHBondContact O-N 3.18Å; H498-D500 PolarHBondContact O-N 2.91Å; H498-V501 HydrophobicContact CB-CG2 4.2Å; H498-V501 WeakPolarHBondContact O-CB 3.37Å; H498-V501 WeakPolarHBondContact O-CG2 3.48Å; H498-V501 PolarHBondContact O-N 2.94Å; H498-W523 HydrophobicContact CB-CH2 3.91Å; H498-W523 HydrophobicContact CB-CZ3 3.97Å; H498-W523 AromaticContact CD2-CZ3 3.78Å; H498-W523 AromaticContact CE1-CH2 3.99Å; H498-W523 AromaticContact CG-CH2 3.6Å; H498-W523 AromaticContact CG-CZ3 3.56Å; H498-W523 AromaticContact ND1-CH2 3.44Å; H498-W523 WeakPolarHBondContact ND1-CH2 3.32Å; H498-W523 AromaticContact ND1-CZ3 3.76Å
499	R	91.6	Very high	92.7	Very high	177 Å²	177	54 Å²	54	67%	0.668	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.6	-177.4	74.4	-175.1	-172.2	-169.4	-1.6	114.5	E496	E496-R499 WeakPolarHBondContact O-CB 3.25Å; E496-R499 WeakPolarHBondContact O-CG 3.36Å; E496-R499 PolarHBondContact O-N 2.84Å
500	D	93.4	Very high	93.7	Very high	91 Å²	91	51.7 Å²	51.7	49%	0.487	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.9	-175.8	-63.3	-41.1	0	0	0	112.4	H498 C502 P549 Q565	H498-D500 PolarHBondContact O-N 2.91Å; D500-C502 PolarHBondContact O-N 2.87Å; D500-P549 HydrophobicContact CB-CG 4.27Å; D500-P549 WeakPolarHBondContact O-CG 3.42Å; D500-Q565 PolarHBondContact O-NE2 2.74Å; D500-Q565 PolarHBondContact O-OE1 3.31Å
501	V	95.3	Very high	94	Very high	12 Å²	12	48.6 Å²	48.6	7%	0.073	24%	0.238	C	C	.	.			trans	-76.7	113.9	179.3	-169.9	0	0	0	0	109.7	R493 H498 W523 P525 P549 Y551	R493-V501 PolarHBondContact NH1-O 3.22Å; H498-V501 HydrophobicContact CB-CG2 4.2Å; H498-V501 WeakPolarHBondContact O-CB 3.37Å; H498-V501 WeakPolarHBondContact O-CG2 3.48Å; H498-V501 PolarHBondContact O-N 2.94Å; V501-W523 HydrophobicContact CB-CE3 4.45Å; V501-W523 HydrophobicContact CG1-CB 4.2Å; V501-W523 HydrophobicContact CG1-CD2 3.8Å; V501-W523 HydrophobicContact CG1-CE3 3.94Å; V501-W523 HydrophobicContact CG1-CG 3.94Å; V501-W523 HydrophobicContact CG2-CE3 3.83Å; V501-W523 HydrophobicContact CG2-CZ3 3.93Å; V501-P525 HydrophobicContact CG2-CB 4.41Å; V501-P549 HydrophobicContact CB-CG 4.42Å; V501-P549 HydrophobicContact CG2-CB 4.13Å; V501-P549 HydrophobicContact CG2-CG 4Å; V501-Y551 HydrophobicContact CG1-CE1 4.1Å; V501-Y551 VanDerWaalsContact CG1-OH 3.3Å; V501-Y551 WeakPolarHBondContact CG1-OH 3.33Å
502	C	94.1	Very high	94.2	Very high	72 Å²	72	53.1 Å²	53.1	49%	0.486	26%	0.258	S	S	.	.			trans	-94.7	-25.1	-173.8	-61.7	0	0	0	0	115.4	D500 Y551 Q565	D500-C502 PolarHBondContact O-N 2.87Å; C502-Y551 PolarHBondContact N-OH 3.18Å; C502-Q565 PolarHBondContact SG-NE2 2.63Å
503	Y	95.5	Very high	94	Very high	28 Å²	28	59 Å²	59	11%	0.11	28%	0.275	C	S	.	.			trans	-117.9	140.2	-170.1	-50.7	-51.2	0	0	0	111.8	R493 M509 I520 Y551 Q565 L568 Y570	R493-Y503 PolarHBondContact NH2-O 2.75Å; Y503-M509 HydrophobicContact CD1-CE 3.59Å; Y503-M509 HydrophobicContact CD2-CE 3.77Å; Y503-M509 HydrophobicContact CE1-CE 3.68Å; Y503-M509 HydrophobicContact CE2-CE 3.85Å; Y503-M509 HydrophobicContact CG-CE 3.64Å; Y503-I520 VanDerWaalsContact CB-CD1 3.49Å; Y503-I520 HydrophobicContact CG-CD1 4.35Å; Y503-Y551 HydrophobicContact CD2-CD2 4.38Å; Y503-Y551 HydrophobicContact CD2-CE1 4.38Å; Y503-Y551 AromaticContact CD2-CE2 3.71Å; Y503-Y551 HydrophobicContact CD2-CE2 3.71Å; Y503-Y551 AromaticContact CD2-CZ 3.7Å; Y503-Y551 HydrophobicContact CE2-CE2 4.46Å; Y503-Y551 PolarHBondContact N-OH 3.35Å; Y503-Y551 VanDerWaalsContact O-CE1 3.25Å; Y503-Y551 WeakPolarHBondContact O-CE1 3.44Å; Y503-Q565 HydrophobicContact CD2-CG 4.28Å; Y503-Q565 HydrophobicContact CE2-CG 3.87Å; Y503-L568 HydrophobicContact CD2-CB 4.31Å; Y503-L568 HydrophobicContact CE2-CB 3.84Å; Y503-L568 PolarHBondContact OH-O 3.12Å; Y503-Y570 AromaticContact CD1-CE1 3.91Å; Y503-Y570 HydrophobicContact CD1-CE1 3.91Å; Y503-Y570 AromaticContact CD1-CZ 3.83Å; Y503-Y570 HydrophobicContact CE1-CE1 4.1Å; Y503-Y570 HydrophobicContact CE1-CE2 4.04Å; Y503-Y570 AromaticContact CE1-CZ 3.72Å
504	S	96.1	Very high	93.8	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.021	30%	0.298	C	S	.	.			trans	-94	154.7	-179.1	-58.2	0	0	0	0	114.1	R493 L507 D607 F610 V611	R493-S504 VanDerWaalsContact NH2-CA 3.32Å; S504-L507 WeakPolarHBondContact O-CB 3.42Å; S504-L507 WeakPolarHBondContact O-CG 3.37Å; S504-L507 PolarHBondContact O-N 3.37Å; S504-D607 VanDerWaalsContact CA-OD2 3.28Å; S504-D607 WeakPolarHBondContact CA-OD2 3.48Å; S504-F610 WeakPolarHBondContact OG-CB 3.48Å; S504-V611 VanDerWaalsContact CB-CG2 3.44Å
505	I	97.1	Very high	93.8	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.01	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	148.6	167.9	60.3	160.8	0	0	0	110.8	L507 I520 P596 L600 Y604 D607 V611	I505-L507 VanDerWaalsContact C-N 3.26Å; I505-L507 PolarHBondContact O-N 2.69Å; I505-I520 CarbonylContact C-O 3.55Å; I505-I520 WeakPolarHBondContact CA-O 3.28Å; I505-I520 HydrophobicContact CG2-CG2 4.25Å; I505-P596 HydrophobicContact CD1-CB 3.99Å; I505-P596 HydrophobicContact CD1-CG 4.35Å; I505-L600 HydrophobicContact CD1-CD1 4.3Å; I505-L600 HydrophobicContact CD1-CD2 3.66Å; I505-L600 HydrophobicContact CD1-CG 3.58Å; I505-Y604 HydrophobicContact CD1-CD2 3.98Å; I505-Y604 HydrophobicContact CD1-CG 4.08Å; I505-Y604 HydrophobicContact CG2-CD1 4.39Å; I505-Y604 HydrophobicContact CG2-CD2 4.06Å; I505-Y604 HydrophobicContact CG2-CE2 4.26Å; I505-Y604 HydrophobicContact CG2-CG 4.13Å; I505-D607 HydrophobicContact CD1-CB 4.29Å; I505-D607 HydrophobicContact CG1-CB 3.59Å; I505-D607 PolarHBondContact N-OD2 3.46Å; I505-V611 WeakPolarHBondContact O-CG2 3.35Å
506	G	96.6	Very high	93.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-11.9	-178.8	0	0	0	0	0	115.1	I520 H593 Y594	G506-I520 PolarHBondContact N-O 3.48Å; G506-H593 WeakPolarHBondContact O-CA 3.44Å; G506-Y594 PolarHBondContact O-N 3.09Å
507	L	96.7	Very high	94.1	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-72.6	139.2	173.7	-66.4	177.7	0	0	0	111.9	S504 I505 M509 V519 I520 Y570 V611 T614 V615	S504-L507 WeakPolarHBondContact O-CB 3.42Å; S504-L507 WeakPolarHBondContact O-CG 3.37Å; S504-L507 PolarHBondContact O-N 3.37Å; I505-L507 VanDerWaalsContact C-N 3.26Å; I505-L507 PolarHBondContact O-N 2.69Å; L507-M509 HydrophobicContact CB-SD 3.93Å; L507-V519 WeakPolarHBondContact O-CA 3.36Å; L507-I520 PolarHBondContact O-N 3.3Å; L507-I520 VanDerWaalsContact O-N 3.15Å; L507-Y570 HydrophobicContact CD1-CE1 4.13Å; L507-V611 HydrophobicContact CD2-CB 4.43Å; L507-V611 HydrophobicContact CD2-CG1 3.93Å; L507-V611 HydrophobicContact CD2-CG2 4.21Å; L507-V611 HydrophobicContact CG-CG2 4.16Å; L507-T614 HydrophobicContact CD1-CG2 4.21Å; L507-T614 HydrophobicContact CD2-CG2 4.32Å; L507-V615 HydrophobicContact CD2-CG2 4.25Å
508	I	96.6	Very high	94.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.2	170.5	-63	162.3	0	0	0	109.1	C518 N571 P574 Q575 I577 F589 Y594	I508-C518 CarbonylContact C-O 3.58Å; I508-C518 WeakPolarHBondContact CA-O 3.32Å; I508-N571 HydrophobicContact CG2-CB 3.89Å; I508-N571 PolarHBondContact O-N 2.95Å; I508-P574 HydrophobicContact CB-CB 4.03Å; I508-P574 HydrophobicContact CD1-CB 3.63Å; I508-P574 HydrophobicContact CG1-CB 4.43Å; I508-P574 HydrophobicContact CG2-CB 4.3Å; I508-Q575 WeakPolarHBondContact CD1-O 3.39Å; I508-I577 HydrophobicContact CG1-CG1 4.46Å; I508-I577 HydrophobicContact CG2-CD1 4.2Å; I508-F589 HydrophobicContact CD1-CD2 4.33Å; I508-F589 HydrophobicContact CD1-CE2 3.3Å; I508-F589 HydrophobicContact CD1-CZ 3.59Å; I508-F589 HydrophobicContact CG1-CE2 4.48Å; I508-Y594 HydrophobicContact CD1-CE2 4.12Å; I508-Y594 HydrophobicContact CG1-CD2 4.28Å; I508-Y594 HydrophobicContact CG1-CE2 4.08Å
509	M	96.3	Very high	94.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	160.9	-175.3	-52.4	-57.8	-75.1	0	0	110.4	Y503 L507 N517 C518 I520 L568 E569 Y570	Y503-M509 HydrophobicContact CD1-CE 3.59Å; Y503-M509 HydrophobicContact CD2-CE 3.77Å; Y503-M509 HydrophobicContact CE1-CE 3.68Å; Y503-M509 HydrophobicContact CE2-CE 3.85Å; Y503-M509 HydrophobicContact CG-CE 3.64Å; L507-M509 HydrophobicContact CB-SD 3.93Å; M509-N517 WeakPolarHBondContact O-CA 3.3Å; M509-C518 PolarHBondContact N-O 3.48Å; M509-C518 PolarHBondContact O-N 3.31Å; M509-I520 HydrophobicContact CG-CD1 3.58Å; M509-I520 HydrophobicContact CG-CG1 3.83Å; M509-I520 HydrophobicContact SD-CD1 4.23Å; M509-L568 HydrophobicContact CB-CD2 4.3Å; M509-L568 HydrophobicContact CE-CB 4.17Å; M509-E569 CarbonylContact C-O 3.5Å; M509-E569 WeakPolarHBondContact CA-O 3.2Å; M509-Y570 HydrophobicContact CE-CD1 4.02Å; M509-Y570 HydrophobicContact CE-CE1 4.31Å; M509-Y570 HydrophobicContact SD-CD1 3.95Å; M509-Y570 HydrophobicContact SD-CE1 4.43Å
510	K	96.2	Very high	94.9	Very high	81 Å²	81	39.8 Å²	39.8	35%	0.352	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.1	170.5	-172.9	175.2	-177.8	177.3	0	109.4	G515 Y516 E569	K510-G515 WeakPolarHBondContact CE-O 3.36Å; K510-Y516 WeakPolarHBondContact CA-O 3.37Å; K510-E569 HydrophobicContact CB-CG 4.17Å; K510-E569 PolarHBondContact N-O 3.33Å; K510-E569 WeakPolarHBondContact O-CG 3.25Å; K510-E569 PolarHBondContact O-N 3.31Å
511	H	95.7	Very high	95	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.046	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.1	175	-170	-65	0	0	0	110.7	R513 Y514 G515 Y516 N567	H511-R513 PolarHBondContact ND1-N 3.39Å; H511-R513 PolarHBondContact O-N 3.26Å; H511-Y514 AromaticContact CE1-CD2 3.33Å; H511-Y514 WeakPolarHBondContact CE1-CD2 3.3Å; H511-Y514 AromaticContact CE1-CE2 3.84Å; H511-Y514 AromaticContact ND1-CD2 3.58Å; H511-Y514 PolarHBondContact ND1-N 3.21Å; H511-Y514 AromaticContact NE2-CD2 3.72Å; H511-Y514 PolarHBondContact O-N 3.3Å; H511-G515 VanDerWaalsContact O-CA 3.29Å; H511-G515 WeakPolarHBondContact O-CA 3.49Å; H511-G515 PolarHBondContact O-N 3.34Å; H511-Y516 HydrophobicContact CB-CD1 3.76Å; H511-Y516 HydrophobicContact CB-CD2 4.06Å; H511-Y516 HydrophobicContact CB-CE1 3.44Å; H511-Y516 VanDerWaalsContact CB-CE1 3.44Å; H511-Y516 HydrophobicContact CB-CE2 3.79Å; H511-Y516 HydrophobicContact CB-CG 4.07Å; H511-Y516 VanDerWaalsContact CB-CZ 3.49Å; H511-Y516 AromaticContact CD2-CE1 3.6Å; H511-Y516 AromaticContact CD2-CZ 3.43Å; H511-Y516 VanDerWaalsContact CD2-CZ 3.43Å; H511-Y516 PolarHBondContact CD2-OH 2.96Å; H511-Y516 AromaticContact CG-CE1 3.49Å; H511-Y516 VanDerWaalsContact CG-CE1 3.49Å; H511-Y516 AromaticContact CG-CZ 3.64Å; H511-Y516 PolarHBondContact N-O 3.08Å; H511-N567 CarbonylContact C-O 3.47Å; H511-N567 WeakPolarHBondContact CA-O 3.24Å
512	K	94.6	Very high	94.9	Very high	107 Å²	107	36 Å²	36	47%	0.465	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-45.9	-173.9	-66.6	-179.5	-175.8	162.7	0	113.9	E566 N567 L568 E569	K512-E566 WeakPolarHBondContact CD-O 3.25Å; K512-E566 WeakPolarHBondContact CE-O 3.24Å; K512-E566 PolarHBondContact NZ-O 2.83Å; K512-N567 PolarHBondContact N-O 3.28Å; K512-L568 VanDerWaalsContact CE-O 3.26Å; K512-L568 WeakPolarHBondContact CE-O 3.36Å; K512-L568 PolarHBondContact NZ-O 3.41Å; K512-E569 HydrophobicContact CG-CB 4.16Å; K512-E569 HydrophobicContact CG-CG 3.88Å
513	R	89.4	Confident	94.9	Very high	190 Å²	190	32.5 Å²	32.5	72%	0.717	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-43.8	-176.2	-172.1	178.9	177.5	179.4	-1.2	114.8	H511	H511-R513 PolarHBondContact ND1-N 3.39Å; H511-R513 PolarHBondContact O-N 3.26Å
514	Y	87.3	Confident	94.8	Very high	143 Å²	143	32.1 Å²	32.1	56%	0.561	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-10.9	-170.6	-62	-60.7	0	0	0	113.2	H511 Y516	H511-Y514 AromaticContact CE1-CD2 3.33Å; H511-Y514 WeakPolarHBondContact CE1-CD2 3.3Å; H511-Y514 AromaticContact CE1-CE2 3.84Å; H511-Y514 AromaticContact ND1-CD2 3.58Å; H511-Y514 PolarHBondContact ND1-N 3.21Å; H511-Y514 AromaticContact NE2-CD2 3.72Å; H511-Y514 PolarHBondContact O-N 3.3Å; Y514-Y516 HydrophobicContact CD2-CE1 4.04Å; Y514-Y516 HydrophobicContact CG-CE1 4.35Å; Y514-Y516 PolarHBondContact O-N 3.23Å
515	G	91.9	Very high	94.6	Very high	35 Å²	35	33.3 Å²	33.3	36%	0.361	15%	0.152	S	C	.	.			trans	74.5	-1.6	172.3	0	0	0	0	0	116.5	K510 H511	K510-G515 WeakPolarHBondContact CE-O 3.36Å; H511-G515 VanDerWaalsContact O-CA 3.29Å; H511-G515 WeakPolarHBondContact O-CA 3.49Å; H511-G515 PolarHBondContact O-N 3.34Å
516	Y	93.1	Very high	94.2	Very high	23 Å²	23	36 Å²	36	9%	0.09	17%	0.168	C	C	.	.			trans	-72.4	150.5	-179.6	65.6	-100.6	0	0	0	112.4	K510 H511 Y514 C518 V555	K510-Y516 WeakPolarHBondContact CA-O 3.37Å; H511-Y516 HydrophobicContact CB-CD1 3.76Å; H511-Y516 HydrophobicContact CB-CD2 4.06Å; H511-Y516 HydrophobicContact CB-CE1 3.44Å; H511-Y516 VanDerWaalsContact CB-CE1 3.44Å; H511-Y516 HydrophobicContact CB-CE2 3.79Å; H511-Y516 HydrophobicContact CB-CG 4.07Å; H511-Y516 VanDerWaalsContact CB-CZ 3.49Å; H511-Y516 AromaticContact CD2-CE1 3.6Å; H511-Y516 AromaticContact CD2-CZ 3.43Å; H511-Y516 VanDerWaalsContact CD2-CZ 3.43Å; H511-Y516 PolarHBondContact CD2-OH 2.96Å; H511-Y516 AromaticContact CG-CE1 3.49Å; H511-Y516 VanDerWaalsContact CG-CE1 3.49Å; H511-Y516 AromaticContact CG-CZ 3.64Å; H511-Y516 PolarHBondContact N-O 3.08Å; Y514-Y516 HydrophobicContact CD2-CE1 4.04Å; Y514-Y516 HydrophobicContact CG-CE1 4.35Å; Y514-Y516 PolarHBondContact O-N 3.23Å; Y516-C518 HydrophobicContact CD2-CB 4.18Å; Y516-C518 HydrophobicContact CE2-CB 4.08Å; Y516-V555 HydrophobicContact CD2-CB 4.31Å; Y516-V555 HydrophobicContact CD2-CG1 3.49Å; Y516-V555 VanDerWaalsContact CD2-CG1 3.49Å; Y516-V555 HydrophobicContact CD2-CG2 3.86Å; Y516-V555 HydrophobicContact CE2-CG1 4.14Å; Y516-V555 HydrophobicContact CE2-CG2 3.64Å; Y516-V555 HydrophobicContact CG-CG1 3.87Å
517	N	95.7	Very high	93.6	Very high	35 Å²	35	36.7 Å²	36.7	19%	0.187	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	143.4	172.9	-55	-54.1	0	0	0	111.3	M509 E556 N571 I577	M509-N517 WeakPolarHBondContact O-CA 3.3Å; N517-E556 PolarHBondContact N-OE1 2.95Å; N517-E556 VanDerWaalsContact N-OE1 3.14Å; N517-E556 PolarHBondContact ND2-OE2 2.81Å; N517-E556 PolarHBondContact O-N 3.13Å; N517-E556 VanDerWaalsContact O-N 3.12Å; N517-N571 PolarHBondContact OD1-ND2 3.04Å; N517-I577 HydrophobicContact CB-CD1 3.76Å
518	C	96	Very high	92.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.6	178.4	65	0	0	0	0	113	I508 M509 Y516 V553 L554 V555	I508-C518 CarbonylContact C-O 3.58Å; I508-C518 WeakPolarHBondContact CA-O 3.32Å; M509-C518 PolarHBondContact N-O 3.48Å; M509-C518 PolarHBondContact O-N 3.31Å; Y516-C518 HydrophobicContact CD2-CB 4.18Å; Y516-C518 HydrophobicContact CE2-CB 4.08Å; C518-V553 HydrophobicContact CB-CB 3.86Å; C518-V553 HydrophobicContact CB-CG2 4.04Å; C518-L554 CarbonylContact C-O 3.42Å; C518-L554 WeakPolarHBondContact CA-O 3.44Å; C518-L554 WeakPolarHBondContact CB-O 3.29Å; C518-V555 HydrophobicContact CB-CG2 4Å
519	V	97.8	Very high	91.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.6	169.6	57.3	0	0	0	0	110	L507 V553 L554 I577 V582 F586 Y594	L507-V519 WeakPolarHBondContact O-CA 3.36Å; V519-V553 CarbonylContact O-C 3.27Å; V519-V553 VanDerWaalsContact O-CA 3.28Å; V519-V553 WeakPolarHBondContact O-CA 3.29Å; V519-L554 HydrophobicContact CG1-CB 3.8Å; V519-L554 HydrophobicContact CG1-CD1 4.15Å; V519-L554 HydrophobicContact CG1-CG 4.28Å; V519-L554 PolarHBondContact N-O 3.36Å; V519-L554 PolarHBondContact O-N 2.88Å; V519-I577 HydrophobicContact CB-CG1 4.18Å; V519-I577 HydrophobicContact CG1-CB 4.34Å; V519-I577 HydrophobicContact CG1-CG1 4.27Å; V519-I577 HydrophobicContact CG1-CG2 4.48Å; V519-V582 HydrophobicContact CG1-CG2 4.47Å; V519-F586 HydrophobicContact CG1-CE2 4.12Å; V519-F586 HydrophobicContact CG2-CE2 3.79Å; V519-F586 HydrophobicContact CG2-CZ 3.77Å; V519-Y594 HydrophobicContact CB-CD2 4.09Å; V519-Y594 HydrophobicContact CB-CE2 4.15Å; V519-Y594 HydrophobicContact CG1-CE2 4.41Å; V519-Y594 HydrophobicContact CG2-CD2 3.55Å; V519-Y594 HydrophobicContact CG2-CE2 4.12Å; V519-Y594 HydrophobicContact CG2-CG 4.25Å
520	I	97.6	Very high	90.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	124.6	176	-62.3	170.7	0	0	0	109.3	Y503 I505 G506 L507 M509 Y551 V553 F586	Y503-I520 VanDerWaalsContact CB-CD1 3.49Å; Y503-I520 HydrophobicContact CG-CD1 4.35Å; I505-I520 CarbonylContact C-O 3.55Å; I505-I520 WeakPolarHBondContact CA-O 3.28Å; I505-I520 HydrophobicContact CG2-CG2 4.25Å; G506-I520 PolarHBondContact N-O 3.48Å; L507-I520 PolarHBondContact O-N 3.3Å; L507-I520 VanDerWaalsContact O-N 3.15Å; M509-I520 HydrophobicContact CG-CD1 3.58Å; M509-I520 HydrophobicContact CG-CG1 3.83Å; M509-I520 HydrophobicContact SD-CD1 4.23Å; I520-Y551 HydrophobicContact CD1-CD1 3.79Å; I520-Y551 HydrophobicContact CD1-CE1 4.18Å; I520-Y551 HydrophobicContact CD1-CG 4.29Å; I520-Y551 HydrophobicContact CG1-CD1 4.23Å; I520-Y551 HydrophobicContact CG2-CD1 3.72Å; I520-V553 HydrophobicContact CG1-CG1 4.02Å; I520-F586 WeakPolarHBondContact O-CZ 3.24Å
521	Y	95.1	Very high	89.7	Confident	22 Å²	22	51.6 Å²	51.6	9%	0.086	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-1.1	173.9	74.5	-87.9	0	0	0	113.7	N552 L554 Y585 L600	Y521-N552 VanDerWaalsContact CD1-C 3.45Å; Y521-N552 HydrophobicContact CD1-CB 4.06Å; Y521-N552 WeakPolarHBondContact CD1-O 3.4Å; Y521-N552 HydrophobicContact CD2-CB 4.27Å; Y521-N552 HydrophobicContact CE1-CB 3.61Å; Y521-N552 HydrophobicContact CE2-CB 3.81Å; Y521-N552 HydrophobicContact CG-CB 4.39Å; Y521-N552 VanDerWaalsContact CZ-CB 3.48Å; Y521-N552 PolarHBondContact N-O 2.91Å; Y521-L554 HydrophobicContact CD1-CD2 3.64Å; Y521-L554 HydrophobicContact CD1-CG 3.6Å; Y521-L554 HydrophobicContact CE1-CD2 3.57Å; Y521-L554 HydrophobicContact CE1-CG 4.04Å; Y521-L554 HydrophobicContact CG-CD2 4.41Å; Y521-L554 HydrophobicContact CG-CG 4.31Å; Y521-Y585 AromaticContact CD2-CD1 3.87Å; Y521-Y585 HydrophobicContact CD2-CD1 3.87Å; Y521-Y585 HydrophobicContact CD2-CD2 4.23Å; Y521-Y585 AromaticContact CD2-CE1 3.52Å; Y521-Y585 HydrophobicContact CD2-CE1 3.52Å; Y521-Y585 AromaticContact CD2-CE2 3.9Å; Y521-Y585 HydrophobicContact CD2-CE2 3.9Å; Y521-Y585 HydrophobicContact CD2-CG 4.21Å; Y521-Y585 AromaticContact CD2-CZ 3.53Å; Y521-Y585 AromaticContact CE2-CE1 3.94Å; Y521-Y585 HydrophobicContact CE2-CE1 3.94Å; Y521-Y585 HydrophobicContact CE2-CE2 4.17Å; Y521-Y585 AromaticContact CE2-CZ 3.62Å; Y521-Y585 HydrophobicContact CG-CD1 4.43Å; Y521-Y585 HydrophobicContact CG-CD2 4.27Å; Y521-Y585 HydrophobicContact CG-CE1 4.42Å; Y521-Y585 HydrophobicContact CG-CE2 4.24Å; Y521-Y585 HydrophobicContact CG-CG 4.36Å; Y521-L600 WeakPolarHBondContact O-CD1 3.3Å
522	G	93.7	Very high	88.4	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	164.9	171.4	0	0	0	0	0	112	Y551 N552 Y604	G522-Y551 WeakPolarHBondContact O-CA 3.14Å; G522-N552 PolarHBondContact N-O 2.65Å; G522-N552 PolarHBondContact O-N 3.38Å; G522-Y604 VanDerWaalsContact CA-OH 3.24Å; G522-Y604 WeakPolarHBondContact CA-OH 3.36Å
523	W	94.8	Very high	87.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.3	179.6	52.8	-101	0	0	0	111.5	K491 H498 V501 F550 Y551 Y604 D607	K491-W523 HydrophobicContact CB-CH2 3.57Å; K491-W523 HydrophobicContact CB-CZ2 3.8Å; K491-W523 HydrophobicContact CB-CZ3 4.09Å; K491-W523 HydrophobicContact CD-CE3 4.24Å; K491-W523 HydrophobicContact CD-CH2 4.41Å; K491-W523 HydrophobicContact CD-CZ3 4.11Å; K491-W523 HydrophobicContact CG-CH2 4.39Å; K491-W523 HydrophobicContact CG-CZ3 4.44Å; K491-W523 PolarHBondContact NZ-O 3.49Å; H498-W523 HydrophobicContact CB-CH2 3.91Å; H498-W523 HydrophobicContact CB-CZ3 3.97Å; H498-W523 AromaticContact CD2-CZ3 3.78Å; H498-W523 AromaticContact CE1-CH2 3.99Å; H498-W523 AromaticContact CG-CH2 3.6Å; H498-W523 AromaticContact CG-CZ3 3.56Å; H498-W523 AromaticContact ND1-CH2 3.44Å; H498-W523 WeakPolarHBondContact ND1-CH2 3.32Å; H498-W523 AromaticContact ND1-CZ3 3.76Å; V501-W523 HydrophobicContact CB-CE3 4.45Å; V501-W523 HydrophobicContact CG1-CB 4.2Å; V501-W523 HydrophobicContact CG1-CD2 3.8Å; V501-W523 HydrophobicContact CG1-CE3 3.94Å; V501-W523 HydrophobicContact CG1-CG 3.94Å; V501-W523 HydrophobicContact CG2-CE3 3.83Å; V501-W523 HydrophobicContact CG2-CZ3 3.93Å; W523-F550 CarbonylContact C-O 3.54Å; W523-F550 VanDerWaalsContact CA-O 3.3Å; W523-F550 WeakPolarHBondContact CA-O 3.19Å; W523-Y551 HydrophobicContact CB-CD1 3.58Å; W523-Y551 HydrophobicContact CB-CE1 3.56Å; W523-Y551 HydrophobicContact CG-CE1 4.34Å; W523-Y604 AromaticContact CD1-CD1 3.93Å; W523-Y604 AromaticContact CD1-CE1 3.73Å; W523-Y604 HydrophobicContact CD2-CD1 4.3Å; W523-Y604 AromaticContact CD2-CE1 3.88Å; W523-Y604 HydrophobicContact CD2-CE1 3.88Å; W523-Y604 AromaticContact CE2-CD1 3.5Å; W523-Y604 AromaticContact CE2-CE1 3.57Å; W523-Y604 HydrophobicContact CG-CE1 4Å; W523-Y604 AromaticContact CZ2-CD1 3.82Å; W523-Y604 HydrophobicContact CZ2-CD1 3.82Å; W523-Y604 HydrophobicContact CZ2-CE1 4.13Å; W523-Y604 PolarHBondContact N-OH 2.86Å; W523-Y604 AromaticContact NE1-CD1 3.22Å; W523-Y604 AromaticContact NE1-CE1 3.44Å; W523-D607 PolarHBondContact NE1-OD1 3.33Å; W523-D607 PolarHBondContact NE1-OD2 2.84Å
524	D	92	Very high	86.9	Confident	20 Å²	20	47.9 Å²	47.9	11%	0.107	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.6	172.9	-58.6	-58.3	0	0	0	109	K491 T526 M528 P549 F550 Y562	K491-D524 IonicContact NZ-OD1 2.72Å; K491-D524 PolarHBondContact NZ-OD1 2.82Å; D524-T526 VanDerWaalsContact CB-O 3.24Å; D524-T526 WeakPolarHBondContact CB-O 3.47Å; D524-T526 PolarHBondContact O-N 2.9Å; D524-M528 HydrophobicContact CB-CG 3.72Å; D524-P549 CarbonylContact O-C 3.57Å; D524-P549 WeakPolarHBondContact O-CA 3.48Å; D524-F550 PolarHBondContact N-O 3.44Å; D524-F550 PolarHBondContact O-N 3.26Å; D524-Y562 WeakPolarHBondContact CB-OH 3.43Å; D524-Y562 VanDerWaalsContact OD2-CE2 3.24Å; D524-Y562 WeakPolarHBondContact OD2-CE2 3.3Å; D524-Y562 PolarHBondContact OD2-OH 2.93Å
525	P	92.3	Very high	86.5	Confident	28 Å²	28	49.2 Å²	49.2	18%	0.182	25%	0.251	C	S	.	.	S	Bend	trans	-65.8	-24	-179.6	27.1	-35.1	0	0	0	113	K497 V501 Q548 P549	K497-P525 WeakPolarHBondContact O-CB 3.36Å; V501-P525 HydrophobicContact CG2-CB 4.41Å; P525-Q548 CarbonylContact O-C 3.36Å; P525-P549 WeakPolarHBondContact O-CA 3.49Å
526	T	89.6	Confident	85.7	Confident	58 Å²	58	53.4 Å²	53.4	36%	0.356	27%	0.265	S	S	.	.	S	Bend	trans	-139.6	163.7	174.6	58.1	0	0	0	0	109.8	D524 M528 Q548	D524-T526 VanDerWaalsContact CB-O 3.24Å; D524-T526 WeakPolarHBondContact CB-O 3.47Å; D524-T526 PolarHBondContact O-N 2.9Å; T526-M528 PolarHBondContact O-N 3.45Å; T526-M528 VanDerWaalsContact O-N 3.17Å; T526-Q548 WeakPolarHBondContact CA-O 3.31Å
527	C	83.9	Confident	84.8	Confident	14 Å²	14	57.7 Å²	57.7	10%	0.095	29%	0.287	C	S	.	.			trans	-61.5	117.3	176.4	-167	0	0	0	0	111.6	H546 F550	C527-H546 HydrophobicContact CB-CB 3.78Å; C527-H546 WeakPolarHBondContact CB-O 3.41Å; C527-H546 PolarHBondContact N-O 2.88Å; C527-F550 HydrophobicContact CB-CD2 3.75Å; C527-F550 HydrophobicContact CB-CE2 3.65Å; C527-F550 HydrophobicContact CB-CG 4.34Å; C527-F550 HydrophobicContact CB-CZ 4.14Å
528	M	81.4	Confident	84.2	Confident	128 Å²	128	60.4 Å²	60.4	63%	0.631	30%	0.302	S	S	*	.			trans	-91.2	2.9	179.9	-63	-59.1	-70.5	0	0	113.8	D524 T526 Y562	D524-M528 HydrophobicContact CB-CG 3.72Å; T526-M528 PolarHBondContact O-N 3.45Å; T526-M528 VanDerWaalsContact O-N 3.17Å; M528-Y562 PolarHBondContact N-OH 2.63Å
529	M	75.7	Confident	83.6	Confident	71 Å²	71	60.6 Å²	60.6	35%	0.35	30%	0.303	S	S	.	.	S	Bend	trans	-80.6	151.6	-176.1	-66.6	-58.8	-67.4	0	0	112.9	W533 I534 Y562	M529-W533 HydrophobicContact CB-CB 4.17Å; M529-W533 HydrophobicContact CB-CD2 3.76Å; M529-W533 HydrophobicContact CB-CE3 3.41Å; M529-W533 VanDerWaalsContact CB-CE3 3.41Å; M529-W533 HydrophobicContact CB-CG 4.11Å; M529-W533 HydrophobicContact CB-CZ3 4.06Å; M529-W533 HydrophobicContact CE-CB 4.16Å; M529-W533 HydrophobicContact CE-CD2 3.91Å; M529-W533 HydrophobicContact CE-CG 3.63Å; M529-W533 HydrophobicContact CG-CD2 3.82Å; M529-W533 HydrophobicContact CG-CE3 3.65Å; M529-W533 HydrophobicContact CG-CG 4.38Å; M529-W533 HydrophobicContact CG-CH2 4.35Å; M529-W533 HydrophobicContact CG-CZ2 4.47Å; M529-W533 HydrophobicContact CG-CZ3 3.93Å; M529-I534 HydrophobicContact CB-CG1 4.44Å; M529-I534 VanDerWaalsContact O-CD1 3.3Å; M529-I534 WeakPolarHBondContact O-CD1 3.34Å; M529-Y562 HydrophobicContact CG-CD1 3.69Å; M529-Y562 HydrophobicContact CG-CE1 3.71Å
530	G	72.1	Confident	82.9	Confident	41 Å²	41	66 Å²	66	42%	0.423	33%	0.328	S	S	.	.			trans	-61.2	158.4	176.5	0	0	0	0	0	113.7	E532 W533 I534	G530-E532 VanDerWaalsContact C-N 3.27Å; G530-E532 PolarHBondContact O-N 3.39Å; G530-W533 WeakPolarHBondContact O-CB 3.28Å; G530-W533 PolarHBondContact O-N 3Å; G530-I534 PolarHBondContact O-N 3.44Å
531	H	73.5	Confident	82.4	Confident	157 Å²	157	69.9 Å²	69.9	73%	0.727	36%	0.355	S	S	*	.	H	α-helix	trans	-65.8	-32.5	-168	-17.9	-27.7	0	0	0	111.7	R535	H531-R535 WeakPolarHBondContact O-CB 3.34Å; H531-R535 PolarHBondContact O-N 2.92Å; H531-R535 VanDerWaalsContact O-N 3.1Å
532	E	69.3	Low	82.1	Confident	147 Å²	147	70.8 Å²	70.8	69%	0.687	36%	0.361	S	S	*	.	H	α-helix	trans	-64.7	-42.7	173.2	-64.9	-167.8	155.9	0	0	112.1	G530 R535 N536	G530-E532 VanDerWaalsContact C-N 3.27Å; G530-E532 PolarHBondContact O-N 3.39Å; E532-R535 PolarHBondContact O-N 3.37Å; E532-N536 WeakPolarHBondContact O-CB 3.19Å; E532-N536 PolarHBondContact O-N 3.49Å; E532-N536 PolarHBondContact O-ND2 3.01Å; E532-N536 PolarHBondContact O-OD1 3.14Å
533	W	76.8	Confident	81.9	Confident	69 Å²	69	76 Å²	76	26%	0.261	40%	0.395	S	S	.	.	H	α-helix	trans	-65.6	-45	177.6	-173.5	97.6	0	0	0	111.2	M529 G530 R535 N536 M537 V539 Y562	M529-W533 HydrophobicContact CB-CB 4.17Å; M529-W533 HydrophobicContact CB-CD2 3.76Å; M529-W533 HydrophobicContact CB-CE3 3.41Å; M529-W533 VanDerWaalsContact CB-CE3 3.41Å; M529-W533 HydrophobicContact CB-CG 4.11Å; M529-W533 HydrophobicContact CB-CZ3 4.06Å; M529-W533 HydrophobicContact CE-CB 4.16Å; M529-W533 HydrophobicContact CE-CD2 3.91Å; M529-W533 HydrophobicContact CE-CG 3.63Å; M529-W533 HydrophobicContact CG-CD2 3.82Å; M529-W533 HydrophobicContact CG-CE3 3.65Å; M529-W533 HydrophobicContact CG-CG 4.38Å; M529-W533 HydrophobicContact CG-CH2 4.35Å; M529-W533 HydrophobicContact CG-CZ2 4.47Å; M529-W533 HydrophobicContact CG-CZ3 3.93Å; G530-W533 WeakPolarHBondContact O-CB 3.28Å; G530-W533 PolarHBondContact O-N 3Å; W533-R535 VanDerWaalsContact C-N 3.25Å; W533-R535 PolarHBondContact O-N 2.89Å; W533-N536 PolarHBondContact O-N 3.12Å; W533-M537 HydrophobicContact CD2-CB 4.38Å; W533-M537 HydrophobicContact CD2-CG 3.74Å; W533-M537 VanDerWaalsContact CE2-CG 3.44Å; W533-M537 HydrophobicContact CE3-CB 4.21Å; W533-M537 HydrophobicContact CE3-CG 4.07Å; W533-M537 HydrophobicContact CG-CG 4.37Å; W533-M537 HydrophobicContact CH2-CB 4.13Å; W533-M537 HydrophobicContact CH2-CG 3.87Å; W533-M537 HydrophobicContact CZ2-CB 4.3Å; W533-M537 HydrophobicContact CZ2-CG 3.54Å; W533-M537 HydrophobicContact CZ3-CB 4.09Å; W533-M537 HydrophobicContact CZ3-CG 4.13Å; W533-M537 WeakPolarHBondContact O-CB 3.43Å; W533-M537 PolarHBondContact O-N 3.24Å; W533-V539 HydrophobicContact CE3-CG2 4.43Å; W533-V539 HydrophobicContact CZ3-CG2 3.8Å; W533-Y562 AromaticContact CH2-CD1 3.84Å; W533-Y562 HydrophobicContact CH2-CD1 3.84Å; W533-Y562 HydrophobicContact CZ2-CD1 4.44Å; W533-Y562 HydrophobicContact CZ3-CD1 4.21Å
534	I	76.1	Confident	81.6	Confident	14 Å²	14	81.9 Å²	81.9	7%	0.072	42%	0.422	C	S	.	.	H	α-helix	trans	-56.5	-42	176.6	-66.5	177.5	0	0	0	110.6	M529 G530 N538 V539 H540 H546	M529-I534 HydrophobicContact CB-CG1 4.44Å; M529-I534 VanDerWaalsContact O-CD1 3.3Å; M529-I534 WeakPolarHBondContact O-CD1 3.34Å; G530-I534 PolarHBondContact O-N 3.44Å; I534-N538 PolarHBondContact O-N 2.74Å; I534-V539 HydrophobicContact CB-CB 4.47Å; I534-V539 HydrophobicContact CG2-CB 3.75Å; I534-V539 HydrophobicContact CG2-CG1 4.14Å; I534-V539 HydrophobicContact CG2-CG2 4.46Å; I534-V539 PolarHBondContact O-N 3.27Å; I534-H540 VanDerWaalsContact CG2-CE1 3.45Å; I534-H540 WeakPolarHBondContact CG2-CE1 3.44Å; I534-H540 VanDerWaalsContact CG2-NE2 3.29Å; I534-H540 WeakPolarHBondContact CG2-NE2 3.48Å; I534-H546 HydrophobicContact CD1-CB 4.44Å
535	R	77.4	Confident	81.5	Confident	171 Å²	171	81.5 Å²	81.5	65%	0.645	42%	0.423	S	S	*	.	H	α-helix	trans	-67.3	-48	176	-169	-174.9	-57.2	165	4.7	112.1	H531 E532 W533 M537 N538	H531-R535 WeakPolarHBondContact O-CB 3.34Å; H531-R535 PolarHBondContact O-N 2.92Å; H531-R535 VanDerWaalsContact O-N 3.1Å; E532-R535 PolarHBondContact O-N 3.37Å; W533-R535 VanDerWaalsContact C-N 3.25Å; W533-R535 PolarHBondContact O-N 2.89Å; R535-M537 PolarHBondContact O-N 2.93Å; R535-N538 WeakPolarHBondContact O-CA 3.49Å; R535-N538 PolarHBondContact O-N 3.1Å
536	N	75.6	Confident	81.4	Confident	122 Å²	122	83 Å²	83	65%	0.652	43%	0.427	S	S	*	.	H	α-helix	trans	-65	-38.7	-177.6	-71.8	-11.5	0	0	0	112.5	E532 W533 N538	E532-N536 WeakPolarHBondContact O-CB 3.19Å; E532-N536 PolarHBondContact O-N 3.49Å; E532-N536 PolarHBondContact O-ND2 3.01Å; E532-N536 PolarHBondContact O-OD1 3.14Å; W533-N536 PolarHBondContact O-N 3.12Å; N536-N538 PolarHBondContact O-N 3.48Å
537	M	74.9	Confident	81.5	Confident	114 Å²	114	86.7 Å²	86.7	56%	0.562	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	3.8	175.2	-65.1	-60.2	117.8	0	0	113	W533 R535 V539	W533-M537 HydrophobicContact CD2-CB 4.38Å; W533-M537 HydrophobicContact CD2-CG 3.74Å; W533-M537 VanDerWaalsContact CE2-CG 3.44Å; W533-M537 HydrophobicContact CE3-CB 4.21Å; W533-M537 HydrophobicContact CE3-CG 4.07Å; W533-M537 HydrophobicContact CG-CG 4.37Å; W533-M537 HydrophobicContact CH2-CB 4.13Å; W533-M537 HydrophobicContact CH2-CG 3.87Å; W533-M537 HydrophobicContact CZ2-CB 4.3Å; W533-M537 HydrophobicContact CZ2-CG 3.54Å; W533-M537 HydrophobicContact CZ3-CB 4.09Å; W533-M537 HydrophobicContact CZ3-CG 4.13Å; W533-M537 WeakPolarHBondContact O-CB 3.43Å; W533-M537 PolarHBondContact O-N 3.24Å; R535-M537 PolarHBondContact O-N 2.93Å; M537-V539 HydrophobicContact CB-CG2 4.07Å; M537-V539 PolarHBondContact O-N 2.85Å
538	N	83.1	Confident	82	Confident	91 Å²	91	86.8 Å²	86.8	49%	0.487	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	37.6	178.4	-163	24	0	0	0	113.9	I534 R535 N536 H540 S541	I534-N538 PolarHBondContact O-N 2.74Å; R535-N538 WeakPolarHBondContact O-CA 3.49Å; R535-N538 PolarHBondContact O-N 3.1Å; N536-N538 PolarHBondContact O-N 3.48Å; N538-H540 PolarHBondContact O-N 2.84Å; N538-S541 WeakPolarHBondContact ND2-CB 3.33Å; N538-S541 PolarHBondContact ND2-OG 3.46Å; N538-S541 PolarHBondContact O-N 3.2Å; N538-S541 WeakPolarHBondContact OD1-CB 3.36Å; N538-S541 PolarHBondContact OD1-OG 3.14Å
539	V	82.8	Confident	82.7	Confident	4 Å²	4	80.9 Å²	80.9	2%	0.024	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-62.1	-29.9	-178.2	171.8	0	0	0	0	111.4	W533 I534 M537 S541 L542 H546 F550	W533-V539 HydrophobicContact CE3-CG2 4.43Å; W533-V539 HydrophobicContact CZ3-CG2 3.8Å; I534-V539 HydrophobicContact CB-CB 4.47Å; I534-V539 HydrophobicContact CG2-CB 3.75Å; I534-V539 HydrophobicContact CG2-CG1 4.14Å; I534-V539 HydrophobicContact CG2-CG2 4.46Å; I534-V539 PolarHBondContact O-N 3.27Å; M537-V539 HydrophobicContact CB-CG2 4.07Å; M537-V539 PolarHBondContact O-N 2.85Å; V539-S541 PolarHBondContact O-N 3.37Å; V539-L542 HydrophobicContact CB-CD1 4.49Å; V539-L542 HydrophobicContact CG1-CD1 4.19Å; V539-L542 VanDerWaalsContact O-CB 3.25Å; V539-L542 WeakPolarHBondContact O-CB 3.19Å; V539-L542 PolarHBondContact O-N 3.44Å; V539-L542 VanDerWaalsContact O-N 3.07Å; V539-H546 HydrophobicContact CG1-CB 3.77Å; V539-F550 HydrophobicContact CG1-CZ 3.77Å
540	H	83.4	Confident	83.6	Confident	113 Å²	113	77.7 Å²	77.7	52%	0.523	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-62.1	-23.9	176.1	-59.6	-68.2	0	0	0	113.9	I534 N538 L542 H546	I534-H540 VanDerWaalsContact CG2-CE1 3.45Å; I534-H540 WeakPolarHBondContact CG2-CE1 3.44Å; I534-H540 VanDerWaalsContact CG2-NE2 3.29Å; I534-H540 WeakPolarHBondContact CG2-NE2 3.48Å; N538-H540 PolarHBondContact O-N 2.84Å; H540-L542 VanDerWaalsContact C-N 3.32Å; H540-H546 AromaticContact ND1-ND1 3.93Å
541	S	86.2	Confident	84.7	Confident	83 Å²	83	75.7 Å²	75.7	58%	0.58	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-87.3	-4	178	-61.2	0	0	0	0	113	N538 V539	N538-S541 WeakPolarHBondContact ND2-CB 3.33Å; N538-S541 PolarHBondContact ND2-OG 3.46Å; N538-S541 PolarHBondContact O-N 3.2Å; N538-S541 WeakPolarHBondContact OD1-CB 3.36Å; N538-S541 PolarHBondContact OD1-OG 3.14Å; V539-S541 PolarHBondContact O-N 3.37Å
542	L	89.4	Confident	85.5	Confident	41 Å²	41	69.9 Å²	69.9	22%	0.215	35%	0.349	C	S	.	.	S	Bend	trans	-71.2	141.8	174.8	-68.5	-179.9	0	0	0	110.3	V539 H540 H544 G545 F550 A564 E566	V539-L542 HydrophobicContact CB-CD1 4.49Å; V539-L542 HydrophobicContact CG1-CD1 4.19Å; V539-L542 VanDerWaalsContact O-CB 3.25Å; V539-L542 WeakPolarHBondContact O-CB 3.19Å; V539-L542 PolarHBondContact O-N 3.44Å; V539-L542 VanDerWaalsContact O-N 3.07Å; H540-L542 VanDerWaalsContact C-N 3.32Å; L542-H544 PolarHBondContact O-N 3.41Å; L542-H544 VanDerWaalsContact O-N 3.15Å; L542-G545 PolarHBondContact O-N 3.29Å; L542-F550 HydrophobicContact CD1-CZ 4.4Å; L542-A564 HydrophobicContact CD1-CB 3.79Å; L542-E566 WeakPolarHBondContact CB-OE1 3.31Å
543	P	89.4	Confident	86.6	Confident	111 Å²	111	62.9 Å²	62.9	72%	0.721	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-38.7	-179.1	-27.2	31.6	0	0	0	114.4	E566	P543-E566 WeakPolarHBondContact CB-OE2 3.49Å; P543-E566 VanDerWaalsContact CD-OE2 3.26Å; P543-E566 WeakPolarHBondContact CD-OE2 3.22Å; P543-E566 VanDerWaalsContact CG-OE2 3.27Å; P543-E566 WeakPolarHBondContact CG-OE2 3.44Å
544	H	89.2	Confident	87.2	Confident	123 Å²	123	59.6 Å²	59.6	57%	0.569	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	4.7	179	-54.4	89.8	0	0	0	113.2	L542 Q548 E566	L542-H544 PolarHBondContact O-N 3.41Å; L542-H544 VanDerWaalsContact O-N 3.15Å; H544-Q548 HydrophobicContact CB-CB 3.88Å; H544-Q548 HydrophobicContact CB-CG 4.27Å; H544-E566 IonicContact CE1-OE2 3.9Å; H544-E566 PolarHBondContact N-OE1 3.14Å; H544-E566 IonicContact ND1-OE1 2.87Å; H544-E566 IonicContact ND1-OE2 3.81Å; H544-E566 PolarHBondContact ND1-OE2 3.38Å
545	G	90.4	Very high	87.8	Confident	12 Å²	12	59 Å²	59	12%	0.124	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	-148.3	175.1	0	0	0	0	0	114.4	L542 Q548	L542-G545 PolarHBondContact O-N 3.29Å; G545-Q548 WeakPolarHBondContact O-CG 3.44Å; G545-Q548 PolarHBondContact O-NE2 3.4Å
546	H	89.4	Confident	88.4	Confident	59 Å²	59	55 Å²	55	27%	0.273	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-6.2	-178.6	58.9	-84.6	0	0	0	114.2	C527 I534 V539 H540	C527-H546 HydrophobicContact CB-CB 3.78Å; C527-H546 WeakPolarHBondContact CB-O 3.41Å; C527-H546 PolarHBondContact N-O 2.88Å; I534-H546 HydrophobicContact CD1-CB 4.44Å; V539-H546 HydrophobicContact CG1-CB 3.77Å; H540-H546 AromaticContact ND1-ND1 3.93Å
547	H	91.4	Very high	88.5	Confident	136 Å²	136	53.2 Å²	53.2	63%	0.63	28%	0.279	S	S	*	.	S	Bend	trans	-85.7	-10.1	-179.5	-61.8	101.4	0	0	0	113.4
548	Q	94.4	Very high	88.6	Confident	16 Å²	16	49 Å²	49	8%	0.075	27%	0.265	C	S	.	.	S	Bend	trans	-76.9	165	171.4	73.4	-175.4	-63.2	0	0	111.3	P525 T526 H544 G545 F550 E566	P525-Q548 CarbonylContact O-C 3.36Å; T526-Q548 WeakPolarHBondContact CA-O 3.31Å; H544-Q548 HydrophobicContact CB-CB 3.88Å; H544-Q548 HydrophobicContact CB-CG 4.27Å; G545-Q548 WeakPolarHBondContact O-CG 3.44Å; G545-Q548 PolarHBondContact O-NE2 3.4Å; Q548-F550 HydrophobicContact CG-CD2 4.25Å; Q548-F550 HydrophobicContact CG-CE2 3.71Å; Q548-F550 HydrophobicContact CG-CZ 4.44Å; Q548-F550 WeakPolarHBondContact O-CD2 3.16Å; Q548-E566 PolarHBondContact NE2-OE1 3.21Å; Q548-E566 PolarHBondContact OE1-OE1 2.83Å
549	P	96.4	Very high	88.2	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.019	25%	0.249	C	C	.	.			trans	-64.3	147.8	172.1	-23.5	34.3	0	0	0	114	D500 V501 D524 P525 Y551 Q565	D500-P549 HydrophobicContact CB-CG 4.27Å; D500-P549 WeakPolarHBondContact O-CG 3.42Å; V501-P549 HydrophobicContact CB-CG 4.42Å; V501-P549 HydrophobicContact CG2-CB 4.13Å; V501-P549 HydrophobicContact CG2-CG 4Å; D524-P549 CarbonylContact O-C 3.57Å; D524-P549 WeakPolarHBondContact O-CA 3.48Å; P525-P549 WeakPolarHBondContact O-CA 3.49Å; P549-Y551 HydrophobicContact CB-CE2 4.27Å; P549-Q565 HydrophobicContact CB-CB 4.34Å; P549-Q565 WeakPolarHBondContact O-CB 3.37Å; P549-Q565 PolarHBondContact O-N 2.67Å
550	F	94.1	Very high	88.2	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.3	174	-79.4	-108.1	0	0	0	110.7	W523 D524 C527 V539 L542 Q548 Y562 A563 A564	W523-F550 CarbonylContact C-O 3.54Å; W523-F550 VanDerWaalsContact CA-O 3.3Å; W523-F550 WeakPolarHBondContact CA-O 3.19Å; D524-F550 PolarHBondContact N-O 3.44Å; D524-F550 PolarHBondContact O-N 3.26Å; C527-F550 HydrophobicContact CB-CD2 3.75Å; C527-F550 HydrophobicContact CB-CE2 3.65Å; C527-F550 HydrophobicContact CB-CG 4.34Å; C527-F550 HydrophobicContact CB-CZ 4.14Å; V539-F550 HydrophobicContact CG1-CZ 3.77Å; L542-F550 HydrophobicContact CD1-CZ 4.4Å; Q548-F550 HydrophobicContact CG-CD2 4.25Å; Q548-F550 HydrophobicContact CG-CE2 3.71Å; Q548-F550 HydrophobicContact CG-CZ 4.44Å; Q548-F550 WeakPolarHBondContact O-CD2 3.16Å; F550-Y562 HydrophobicContact CB-CD1 4.14Å; F550-Y562 HydrophobicContact CB-CD2 4.29Å; F550-Y562 HydrophobicContact CB-CE1 3.47Å; F550-Y562 VanDerWaalsContact CB-CE1 3.47Å; F550-Y562 HydrophobicContact CB-CE2 3.66Å; F550-Y562 WeakPolarHBondContact CB-OH 3.42Å; F550-Y562 AromaticContact CD1-CD1 3.7Å; F550-Y562 HydrophobicContact CD1-CD1 3.7Å; F550-Y562 AromaticContact CD1-CE1 3.6Å; F550-Y562 HydrophobicContact CD1-CE1 3.6Å; F550-Y562 HydrophobicContact CD1-CG 4.44Å; F550-Y562 HydrophobicContact CG-CD1 4.23Å; F550-Y562 AromaticContact CG-CE1 3.68Å; F550-Y562 HydrophobicContact CG-CE1 3.68Å; F550-Y562 AromaticContact CG-CZ 3.98Å; F550-A563 CarbonylContact C-O 3.48Å; F550-A563 WeakPolarHBondContact CA-O 3.32Å; F550-A564 HydrophobicContact CD1-CB 4.12Å; F550-A564 HydrophobicContact CE1-CB 3.6Å; F550-A564 HydrophobicContact CE2-CB 4.31Å; F550-A564 HydrophobicContact CZ-CB 3.69Å
551	Y	94.8	Very high	88.2	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.5	-171.9	-65.3	-83.6	0	0	0	111.1	V501 C502 Y503 I520 G522 W523 P549 Y562 A563 Q565 L568	V501-Y551 HydrophobicContact CG1-CE1 4.1Å; V501-Y551 VanDerWaalsContact CG1-OH 3.3Å; V501-Y551 WeakPolarHBondContact CG1-OH 3.33Å; C502-Y551 PolarHBondContact N-OH 3.18Å; Y503-Y551 HydrophobicContact CD2-CD2 4.38Å; Y503-Y551 HydrophobicContact CD2-CE1 4.38Å; Y503-Y551 AromaticContact CD2-CE2 3.71Å; Y503-Y551 HydrophobicContact CD2-CE2 3.71Å; Y503-Y551 AromaticContact CD2-CZ 3.7Å; Y503-Y551 HydrophobicContact CE2-CE2 4.46Å; Y503-Y551 PolarHBondContact N-OH 3.35Å; Y503-Y551 VanDerWaalsContact O-CE1 3.25Å; Y503-Y551 WeakPolarHBondContact O-CE1 3.44Å; I520-Y551 HydrophobicContact CD1-CD1 3.79Å; I520-Y551 HydrophobicContact CD1-CE1 4.18Å; I520-Y551 HydrophobicContact CD1-CG 4.29Å; I520-Y551 HydrophobicContact CG1-CD1 4.23Å; I520-Y551 HydrophobicContact CG2-CD1 3.72Å; G522-Y551 WeakPolarHBondContact O-CA 3.14Å; W523-Y551 HydrophobicContact CB-CD1 3.58Å; W523-Y551 HydrophobicContact CB-CE1 3.56Å; W523-Y551 HydrophobicContact CG-CE1 4.34Å; P549-Y551 HydrophobicContact CB-CE2 4.27Å; Y551-Y562 CarbonylContact O-C 3.58Å; Y551-Y562 WeakPolarHBondContact O-CA 3.2Å; Y551-A563 PolarHBondContact N-O 3.17Å; Y551-A563 PolarHBondContact O-N 3.2Å; Y551-Q565 HydrophobicContact CD2-CB 4.41Å; Y551-Q565 HydrophobicContact CE2-CB 3.69Å; Y551-Q565 HydrophobicContact CE2-CG 3.89Å; Y551-Q565 PolarHBondContact OH-OE1 3.41Å; Y551-L568 HydrophobicContact CD2-CD1 3.75Å; Y551-L568 HydrophobicContact CG-CD1 3.91Å
552	N	90.9	Very high	88.2	Confident	35 Å²	35	43.7 Å²	43.7	19%	0.187	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118.3	166.9	-67.5	-68.4	0	0	0	108.2	Y521 G522 Y562	Y521-N552 VanDerWaalsContact CD1-C 3.45Å; Y521-N552 HydrophobicContact CD1-CB 4.06Å; Y521-N552 WeakPolarHBondContact CD1-O 3.4Å; Y521-N552 HydrophobicContact CD2-CB 4.27Å; Y521-N552 HydrophobicContact CE1-CB 3.61Å; Y521-N552 HydrophobicContact CE2-CB 3.81Å; Y521-N552 HydrophobicContact CG-CB 4.39Å; Y521-N552 VanDerWaalsContact CZ-CB 3.48Å; Y521-N552 PolarHBondContact N-O 2.91Å; G522-N552 PolarHBondContact N-O 2.65Å; G522-N552 PolarHBondContact O-N 3.38Å; N552-Y562 VanDerWaalsContact OD1-CD2 3.29Å; N552-Y562 WeakPolarHBondContact OD1-CD2 3.35Å
553	V	91.9	Very high	88.2	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.4	-173.1	-56.3	0	0	0	0	112.4	C518 V519 I520 V555 C560 R561 A563 L568	C518-V553 HydrophobicContact CB-CB 3.86Å; C518-V553 HydrophobicContact CB-CG2 4.04Å; V519-V553 CarbonylContact O-C 3.27Å; V519-V553 VanDerWaalsContact O-CA 3.28Å; V519-V553 WeakPolarHBondContact O-CA 3.29Å; I520-V553 HydrophobicContact CG1-CG1 4.02Å; V553-V555 HydrophobicContact CG2-CG2 4.14Å; V553-C560 WeakPolarHBondContact O-CA 3.21Å; V553-R561 HydrophobicContact CG2-CB 3.85Å; V553-R561 WeakPolarHBondContact CG2-O 3.49Å; V553-R561 PolarHBondContact N-O 3.01Å; V553-R561 PolarHBondContact O-N 2.86Å; V553-A563 HydrophobicContact CG2-CB 4.46Å; V553-L568 HydrophobicContact CG1-CD1 4.36Å
554	L	90.7	Very high	88.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.7	169.5	-54.1	178.8	0	0	0	108.6	C518 V519 Y521 C560 H579 V582 Y585 F586	C518-L554 CarbonylContact C-O 3.42Å; C518-L554 WeakPolarHBondContact CA-O 3.44Å; C518-L554 WeakPolarHBondContact CB-O 3.29Å; V519-L554 HydrophobicContact CG1-CB 3.8Å; V519-L554 HydrophobicContact CG1-CD1 4.15Å; V519-L554 HydrophobicContact CG1-CG 4.28Å; V519-L554 PolarHBondContact N-O 3.36Å; V519-L554 PolarHBondContact O-N 2.88Å; Y521-L554 HydrophobicContact CD1-CD2 3.64Å; Y521-L554 HydrophobicContact CD1-CG 3.6Å; Y521-L554 HydrophobicContact CE1-CD2 3.57Å; Y521-L554 HydrophobicContact CE1-CG 4.04Å; Y521-L554 HydrophobicContact CG-CD2 4.41Å; Y521-L554 HydrophobicContact CG-CG 4.31Å; L554-C560 VanDerWaalsContact CD2-SG 3.58Å; L554-H579 HydrophobicContact CB-CB 4.09Å; L554-V582 HydrophobicContact CD1-CB 4.47Å; L554-V582 HydrophobicContact CD1-CG2 3.89Å; L554-Y585 HydrophobicContact CD1-CD2 3.95Å; L554-Y585 HydrophobicContact CD1-CE2 4.41Å; L554-Y585 HydrophobicContact CD2-CE2 4.28Å; L554-F586 HydrophobicContact CD1-CE2 4.47Å
555	V	87.9	Confident	88.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	149.8	-173.3	-176	0	0	0	0	111.4	Y516 C518 V553 D557 G558 S559 R561 H579	Y516-V555 HydrophobicContact CD2-CB 4.31Å; Y516-V555 HydrophobicContact CD2-CG1 3.49Å; Y516-V555 VanDerWaalsContact CD2-CG1 3.49Å; Y516-V555 HydrophobicContact CD2-CG2 3.86Å; Y516-V555 HydrophobicContact CE2-CG1 4.14Å; Y516-V555 HydrophobicContact CE2-CG2 3.64Å; Y516-V555 HydrophobicContact CG-CG1 3.87Å; C518-V555 HydrophobicContact CB-CG2 4Å; V553-V555 HydrophobicContact CG2-CG2 4.14Å; V555-D557 VanDerWaalsContact CB-OD1 3.3Å; V555-D557 WeakPolarHBondContact CB-OD1 3.41Å; V555-D557 HydrophobicContact CG1-CB 4.47Å; V555-D557 VanDerWaalsContact CG1-OD1 3.26Å; V555-D557 WeakPolarHBondContact CG1-OD1 3.4Å; V555-D557 PolarHBondContact O-N 3.1Å; V555-D557 VanDerWaalsContact O-N 3.08Å; V555-G558 PolarHBondContact O-N 3.06Å; V555-S559 WeakPolarHBondContact CB-O 3.46Å; V555-S559 PolarHBondContact N-O 3Å; V555-R561 HydrophobicContact CG2-CB 4.27Å; V555-R561 HydrophobicContact CG2-CG 3.77Å; V555-H579 PolarHBondContact O-CD2 3.15Å
556	E	89.1	Confident	89	Confident	87 Å²	87	33.3 Å²	33.3	41%	0.407	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.9	179.5	71.8	-164.8	152.7	0	0	114.7	N517 G558 I577	N517-E556 PolarHBondContact N-OE1 2.95Å; N517-E556 VanDerWaalsContact N-OE1 3.14Å; N517-E556 PolarHBondContact ND2-OE2 2.81Å; N517-E556 PolarHBondContact O-N 3.13Å; N517-E556 VanDerWaalsContact O-N 3.12Å; E556-G558 PolarHBondContact O-N 2.93Å; E556-I577 HydrophobicContact CB-CG2 4.45Å
557	D	79.1	Confident	89.3	Confident	85 Å²	85	32.3 Å²	32.3	46%	0.455	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2	175.3	69.7	-0.5	0	0	0	113.8	V555 S559 R561	V555-D557 VanDerWaalsContact CB-OD1 3.3Å; V555-D557 WeakPolarHBondContact CB-OD1 3.41Å; V555-D557 HydrophobicContact CG1-CB 4.47Å; V555-D557 VanDerWaalsContact CG1-OD1 3.26Å; V555-D557 WeakPolarHBondContact CG1-OD1 3.4Å; V555-D557 PolarHBondContact O-N 3.1Å; V555-D557 VanDerWaalsContact O-N 3.08Å; D557-S559 VanDerWaalsContact OD1-CB 3.3Å; D557-S559 WeakPolarHBondContact OD1-CB 3.2Å; D557-S559 PolarHBondContact OD1-N 3.36Å; D557-S559 PolarHBondContact OD1-OG 3.06Å; D557-S559 PolarHBondContact OD2-OG 3.24Å; D557-R561 IonicContact OD2-CZ 2.86Å; D557-R561 IonicContact OD2-NH2 2.73Å; D557-R561 PolarHBondContact OD2-NH2 3.37Å
558	G	76.4	Confident	89.6	Confident	25 Å²	25	25.9 Å²	25.9	26%	0.258	14%	0.136	S	C	.	.	S	Bend	trans	87.2	5.9	-179	0	0	0	0	0	114.9	V555 E556 H579	V555-G558 PolarHBondContact O-N 3.06Å; E556-G558 PolarHBondContact O-N 2.93Å; G558-H579 VanDerWaalsContact CA-CD2 3.44Å; G558-H579 WeakPolarHBondContact CA-CD2 3.46Å; G558-H579 PolarHBondContact O-NE2 3.39Å; G558-H579 VanDerWaalsContact O-NE2 3.15Å
559	S	75.3	Confident	89.6	Confident	22 Å²	22	28.8 Å²	28.8	15%	0.154	15%	0.149	C	C	.	.			trans	-90.6	147	174.7	66.5	0	0	0	0	112.7	V555 D557 R561 H579	V555-S559 WeakPolarHBondContact CB-O 3.46Å; V555-S559 PolarHBondContact N-O 3Å; D557-S559 VanDerWaalsContact OD1-CB 3.3Å; D557-S559 WeakPolarHBondContact OD1-CB 3.2Å; D557-S559 PolarHBondContact OD1-N 3.36Å; D557-S559 PolarHBondContact OD1-OG 3.06Å; D557-S559 PolarHBondContact OD2-OG 3.24Å; S559-R561 PolarHBondContact OG-NE 3.27Å; S559-H579 PolarHBondContact O-CD2 3.14Å; S559-H579 PolarHBondContact O-NE2 3.4Å
560	C	81.9	Confident	89.6	Confident	39 Å²	39	32.4 Å²	32.4	26%	0.264	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.5	164.5	-62.5	0	0	0	0	109.2	V553 L554	V553-C560 WeakPolarHBondContact O-CA 3.21Å; L554-C560 VanDerWaalsContact CD2-SG 3.58Å
561	R	83.1	Confident	89.4	Confident	84 Å²	84	32.9 Å²	32.9	32%	0.317	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.3	-179.3	-56.3	-172.4	-170.7	-170.7	-2.8	111.7	V553 V555 D557 S559	V553-R561 HydrophobicContact CG2-CB 3.85Å; V553-R561 WeakPolarHBondContact CG2-O 3.49Å; V553-R561 PolarHBondContact N-O 3.01Å; V553-R561 PolarHBondContact O-N 2.86Å; V555-R561 HydrophobicContact CG2-CB 4.27Å; V555-R561 HydrophobicContact CG2-CG 3.77Å; D557-R561 IonicContact OD2-CZ 2.86Å; D557-R561 IonicContact OD2-NH2 2.73Å; D557-R561 PolarHBondContact OD2-NH2 3.37Å; S559-R561 PolarHBondContact OG-NE 3.27Å
562	Y	85.9	Confident	89	Confident	35 Å²	35	37.9 Å²	37.9	14%	0.137	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	106.4	174.5	-165.1	-123.5	0	0	0	109.5	D524 M528 M529 W533 F550 Y551 N552	D524-Y562 WeakPolarHBondContact CB-OH 3.43Å; D524-Y562 VanDerWaalsContact OD2-CE2 3.24Å; D524-Y562 WeakPolarHBondContact OD2-CE2 3.3Å; D524-Y562 PolarHBondContact OD2-OH 2.93Å; M528-Y562 PolarHBondContact N-OH 2.63Å; M529-Y562 HydrophobicContact CG-CD1 3.69Å; M529-Y562 HydrophobicContact CG-CE1 3.71Å; W533-Y562 AromaticContact CH2-CD1 3.84Å; W533-Y562 HydrophobicContact CH2-CD1 3.84Å; W533-Y562 HydrophobicContact CZ2-CD1 4.44Å; W533-Y562 HydrophobicContact CZ3-CD1 4.21Å; F550-Y562 HydrophobicContact CB-CD1 4.14Å; F550-Y562 HydrophobicContact CB-CD2 4.29Å; F550-Y562 HydrophobicContact CB-CE1 3.47Å; F550-Y562 VanDerWaalsContact CB-CE1 3.47Å; F550-Y562 HydrophobicContact CB-CE2 3.66Å; F550-Y562 WeakPolarHBondContact CB-OH 3.42Å; F550-Y562 AromaticContact CD1-CD1 3.7Å; F550-Y562 HydrophobicContact CD1-CD1 3.7Å; F550-Y562 AromaticContact CD1-CE1 3.6Å; F550-Y562 HydrophobicContact CD1-CE1 3.6Å; F550-Y562 HydrophobicContact CD1-CG 4.44Å; F550-Y562 HydrophobicContact CG-CD1 4.23Å; F550-Y562 AromaticContact CG-CE1 3.68Å; F550-Y562 HydrophobicContact CG-CE1 3.68Å; F550-Y562 AromaticContact CG-CZ 3.98Å; Y551-Y562 CarbonylContact O-C 3.58Å; Y551-Y562 WeakPolarHBondContact O-CA 3.2Å; N552-Y562 VanDerWaalsContact OD1-CD2 3.29Å; N552-Y562 WeakPolarHBondContact OD1-CD2 3.35Å
563	A	89.4	Confident	88.8	Confident	5 Å²	5	42.4 Å²	42.4	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.7	-168.1	0	0	0	0	0	111.8	F550 Y551 V553 L568	F550-A563 CarbonylContact C-O 3.48Å; F550-A563 WeakPolarHBondContact CA-O 3.32Å; Y551-A563 PolarHBondContact N-O 3.17Å; Y551-A563 PolarHBondContact O-N 3.2Å; V553-A563 HydrophobicContact CG2-CB 4.46Å; A563-L568 HydrophobicContact CB-CD1 4.21Å; A563-L568 HydrophobicContact CB-CD2 4.08Å; A563-L568 HydrophobicContact CB-CG 4.18Å
564	A	94.6	Very high	88.7	Confident	3 Å²	3	43.4 Å²	43.4	3%	0.025	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.3	172.8	0	0	0	0	0	111.2	L542 F550 E566 N567	L542-A564 HydrophobicContact CD1-CB 3.79Å; F550-A564 HydrophobicContact CD1-CB 4.12Å; F550-A564 HydrophobicContact CE1-CB 3.6Å; F550-A564 HydrophobicContact CE2-CB 4.31Å; F550-A564 HydrophobicContact CZ-CB 3.69Å; A564-E566 VanDerWaalsContact C-N 3.29Å; A564-E566 HydrophobicContact CB-CG 4.49Å; A564-E566 PolarHBondContact O-N 3.05Å; A564-N567 WeakPolarHBondContact O-CB 3.44Å; A564-N567 PolarHBondContact O-N 2.81Å
565	Q	97	Very high	88.8	Confident	27 Å²	27	49.9 Å²	49.9	13%	0.126	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-49.2	-47.2	179.9	-176.3	155.9	-84.1	0	0	113.3	D500 C502 Y503 P549 Y551 N567 L568	D500-Q565 PolarHBondContact O-NE2 2.74Å; D500-Q565 PolarHBondContact O-OE1 3.31Å; C502-Q565 PolarHBondContact SG-NE2 2.63Å; Y503-Q565 HydrophobicContact CD2-CG 4.28Å; Y503-Q565 HydrophobicContact CE2-CG 3.87Å; P549-Q565 HydrophobicContact CB-CB 4.34Å; P549-Q565 WeakPolarHBondContact O-CB 3.37Å; P549-Q565 PolarHBondContact O-N 2.67Å; Y551-Q565 HydrophobicContact CD2-CB 4.41Å; Y551-Q565 HydrophobicContact CE2-CB 3.69Å; Y551-Q565 HydrophobicContact CE2-CG 3.89Å; Y551-Q565 PolarHBondContact OH-OE1 3.41Å; Q565-N567 PolarHBondContact O-N 2.74Å; Q565-N567 VanDerWaalsContact O-N 3.12Å; Q565-L568 PolarHBondContact O-N 2.69Å; Q565-L568 VanDerWaalsContact O-N 3.08Å
566	E	95.4	Very high	89.1	Confident	34 Å²	34	53.9 Å²	53.9	16%	0.159	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-63.4	-22.1	-175.7	69.3	-173.9	131.9	0	0	114	K512 L542 P543 H544 Q548 A564	K512-E566 WeakPolarHBondContact CD-O 3.25Å; K512-E566 WeakPolarHBondContact CE-O 3.24Å; K512-E566 PolarHBondContact NZ-O 2.83Å; L542-E566 WeakPolarHBondContact CB-OE1 3.31Å; P543-E566 WeakPolarHBondContact CB-OE2 3.49Å; P543-E566 VanDerWaalsContact CD-OE2 3.26Å; P543-E566 WeakPolarHBondContact CD-OE2 3.22Å; P543-E566 VanDerWaalsContact CG-OE2 3.27Å; P543-E566 WeakPolarHBondContact CG-OE2 3.44Å; H544-E566 IonicContact CE1-OE2 3.9Å; H544-E566 PolarHBondContact N-OE1 3.14Å; H544-E566 IonicContact ND1-OE1 2.87Å; H544-E566 IonicContact ND1-OE2 3.81Å; H544-E566 PolarHBondContact ND1-OE2 3.38Å; Q548-E566 PolarHBondContact NE2-OE1 3.21Å; Q548-E566 PolarHBondContact OE1-OE1 2.83Å; A564-E566 VanDerWaalsContact C-N 3.29Å; A564-E566 HydrophobicContact CB-CG 4.49Å; A564-E566 PolarHBondContact O-N 3.05Å
567	N	95.8	Very high	89.3	Confident	39 Å²	39	50.1 Å²	50.1	21%	0.209	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-87.3	-6.1	-180	-73.2	-41.3	0	0	0	113.6	H511 K512 A564 Q565	H511-N567 CarbonylContact C-O 3.47Å; H511-N567 WeakPolarHBondContact CA-O 3.24Å; K512-N567 PolarHBondContact N-O 3.28Å; A564-N567 WeakPolarHBondContact O-CB 3.44Å; A564-N567 PolarHBondContact O-N 2.81Å; Q565-N567 PolarHBondContact O-N 2.74Å; Q565-N567 VanDerWaalsContact O-N 3.12Å
568	L	96.7	Very high	89.7	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.7	177.4	-62.9	178.4	0	0	0	111.2	Y503 M509 K512 Y551 V553 A563 Q565	Y503-L568 HydrophobicContact CD2-CB 4.31Å; Y503-L568 HydrophobicContact CE2-CB 3.84Å; Y503-L568 PolarHBondContact OH-O 3.12Å; M509-L568 HydrophobicContact CB-CD2 4.3Å; M509-L568 HydrophobicContact CE-CB 4.17Å; K512-L568 VanDerWaalsContact CE-O 3.26Å; K512-L568 WeakPolarHBondContact CE-O 3.36Å; K512-L568 PolarHBondContact NZ-O 3.41Å; Y551-L568 HydrophobicContact CD2-CD1 3.75Å; Y551-L568 HydrophobicContact CG-CD1 3.91Å; V553-L568 HydrophobicContact CG1-CD1 4.36Å; A563-L568 HydrophobicContact CB-CD1 4.21Å; A563-L568 HydrophobicContact CB-CD2 4.08Å; A563-L568 HydrophobicContact CB-CG 4.18Å; Q565-L568 PolarHBondContact O-N 2.69Å; Q565-L568 VanDerWaalsContact O-N 3.08Å
569	E	96	Very high	90.3	Very high	77 Å²	77	50.4 Å²	50.4	36%	0.36	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158.8	170.1	60.1	-175	-169.3	0	0	110.3	M509 K510 K512	M509-E569 CarbonylContact C-O 3.5Å; M509-E569 WeakPolarHBondContact CA-O 3.2Å; K510-E569 HydrophobicContact CB-CG 4.17Å; K510-E569 PolarHBondContact N-O 3.33Å; K510-E569 WeakPolarHBondContact O-CG 3.25Å; K510-E569 PolarHBondContact O-N 3.31Å; K512-E569 HydrophobicContact CG-CB 4.16Å; K512-E569 HydrophobicContact CG-CG 3.88Å
570	Y	94.7	Very high	90.8	Very high	80 Å²	80	53.3 Å²	53.3	31%	0.314	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.3	176.5	-61	-71.2	0	0	0	111.1	Y503 L507 M509 V572 T614 I618	Y503-Y570 AromaticContact CD1-CE1 3.91Å; Y503-Y570 HydrophobicContact CD1-CE1 3.91Å; Y503-Y570 AromaticContact CD1-CZ 3.83Å; Y503-Y570 HydrophobicContact CE1-CE1 4.1Å; Y503-Y570 HydrophobicContact CE1-CE2 4.04Å; Y503-Y570 AromaticContact CE1-CZ 3.72Å; L507-Y570 HydrophobicContact CD1-CE1 4.13Å; M509-Y570 HydrophobicContact CE-CD1 4.02Å; M509-Y570 HydrophobicContact CE-CE1 4.31Å; M509-Y570 HydrophobicContact SD-CD1 3.95Å; M509-Y570 HydrophobicContact SD-CE1 4.43Å; Y570-V572 PolarHBondContact O-N 3.12Å; Y570-T614 HydrophobicContact CD1-CG2 4.34Å; Y570-T614 HydrophobicContact CE1-CG2 3.54Å; Y570-I618 HydrophobicContact CD1-CD1 3.42Å; Y570-I618 VanDerWaalsContact CD1-CD1 3.42Å; Y570-I618 HydrophobicContact CD2-CD1 3.46Å; Y570-I618 VanDerWaalsContact CD2-CD1 3.46Å; Y570-I618 HydrophobicContact CE1-CD1 3.53Å; Y570-I618 HydrophobicContact CE2-CD1 3.58Å; Y570-I618 HydrophobicContact CG-CD1 3.37Å
571	N	90.9	Very high	91.1	Very high	14 Å²	14	53.1 Å²	53.1	8%	0.075	27%	0.272	C	S	.	.			trans	-79.4	118.1	172.9	-170.8	-23.1	0	0	0	110	I508 N517 E573 P574 Y619	I508-N571 HydrophobicContact CG2-CB 3.89Å; I508-N571 PolarHBondContact O-N 2.95Å; N517-N571 PolarHBondContact OD1-ND2 3.04Å; N571-E573 PolarHBondContact O-N 2.78Å; N571-E573 PolarHBondContact OD1-N 3.37Å; N571-E573 PolarHBondContact OD1-O 3.38Å; N571-P574 WeakPolarHBondContact O-CD 3.44Å; N571-Y619 VanDerWaalsContact O-CE1 3.26Å; N571-Y619 WeakPolarHBondContact O-CE1 3.43Å; N571-Y619 PolarHBondContact O-OH 3.24Å
572	V	85.5	Confident	91.6	Very high	105 Å²	105	49.6 Å²	49.6	64%	0.636	26%	0.26	S	S	*	.	S	Bend	trans	-67.3	-19.1	-177.9	-66.7	0	0	0	0	114.7	Y570	Y570-V572 PolarHBondContact O-N 3.12Å
573	E	88.2	Confident	91.9	Very high	130 Å²	130	48.3 Å²	48.3	61%	0.607	26%	0.258	S	S	*	.	S	Bend	trans	-136.2	73.2	178.6	-68.9	-174.5	169.7	0	0	108.8	N571 Q575	N571-E573 PolarHBondContact O-N 2.78Å; N571-E573 PolarHBondContact OD1-N 3.37Å; N571-E573 PolarHBondContact OD1-O 3.38Å; E573-Q575 PolarHBondContact O-N 3.38Å
574	P	89.9	Confident	92	Very high	21 Å²	21	48.5 Å²	48.5	14%	0.136	26%	0.257	C	S	.	.			trans	-61.6	129.3	-174.7	25	-33.6	0	0	0	110.4	I508 N571 T592 Y619	I508-P574 HydrophobicContact CB-CB 4.03Å; I508-P574 HydrophobicContact CD1-CB 3.63Å; I508-P574 HydrophobicContact CG1-CB 4.43Å; I508-P574 HydrophobicContact CG2-CB 4.3Å; N571-P574 WeakPolarHBondContact O-CD 3.44Å; P574-T592 WeakPolarHBondContact CB-O 3.17Å; P574-T592 HydrophobicContact CG-CG2 4.28Å; P574-Y619 HydrophobicContact CG-CD1 4.28Å; P574-Y619 HydrophobicContact CG-CE1 3.74Å
575	Q	91.9	Very high	92	Very high	136 Å²	136	48.9 Å²	48.9	64%	0.636	26%	0.258	S	S	*	.			trans	-123.7	159	175.2	-65.3	-171.1	6.8	0	0	110.5	I508 E573 I577	I508-Q575 WeakPolarHBondContact CD1-O 3.39Å; E573-Q575 PolarHBondContact O-N 3.38Å; Q575-I577 PolarHBondContact O-N 2.92Å
576	E	93.9	Very high	92	Very high	84 Å²	84	47.6 Å²	47.6	39%	0.393	25%	0.252	S	S	.	.			trans	-59.7	124.4	176	-170.2	173.1	-168.3	0	0	110.2	R157 S578 F589 Y594	R157-E576 WeakPolarHBondContact CD-OE2 3.48Å; R157-E576 IonicContact CZ-OE2 3.16Å; R157-E576 IonicContact NE-OE2 2.77Å; R157-E576 PolarHBondContact NE-OE2 3.11Å; R157-E576 IonicContact NH2-OE2 3.79Å; E576-S578 PolarHBondContact O-N 2.96Å; E576-F589 HydrophobicContact CB-CD1 3.72Å; E576-F589 HydrophobicContact CB-CE1 3.8Å; E576-F589 HydrophobicContact CG-CD1 4.02Å; E576-F589 HydrophobicContact CG-CG 4.48Å; E576-Y594 WeakPolarHBondContact CA-OH 3.46Å; E576-Y594 WeakPolarHBondContact CG-OH 3.49Å
577	I	93.6	Very high	92	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.036	26%	0.256	C	S	.	.			trans	-79.5	116.7	177.1	-57.1	-58.5	0	0	0	108.9	I508 N517 V519 E556 Q575 H579 Y594	I508-I577 HydrophobicContact CG1-CG1 4.46Å; I508-I577 HydrophobicContact CG2-CD1 4.2Å; N517-I577 HydrophobicContact CB-CD1 3.76Å; V519-I577 HydrophobicContact CB-CG1 4.18Å; V519-I577 HydrophobicContact CG1-CB 4.34Å; V519-I577 HydrophobicContact CG1-CG1 4.27Å; V519-I577 HydrophobicContact CG1-CG2 4.48Å; E556-I577 HydrophobicContact CB-CG2 4.45Å; Q575-I577 PolarHBondContact O-N 2.92Å; I577-H579 HydrophobicContact CG2-CB 3.92Å; I577-H579 PolarHBondContact O-N 3.49Å; I577-Y594 HydrophobicContact CG1-CE2 4.34Å; I577-Y594 PolarHBondContact N-OH 3.15Å
578	S	88.4	Confident	92	Very high	104 Å²	104	48.2 Å²	48.2	73%	0.727	26%	0.258	S	S	*	.			trans	-79.2	57.3	178.9	-176.7	0	0	0	0	112.4	E576	E576-S578 PolarHBondContact O-N 2.96Å
579	H	89	Confident	91.9	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.056	26%	0.259	C	S	.	.			trans	-105.5	133.5	178.2	-176.3	-67.1	0	0	0	111.5	L554 V555 G558 S559 I577 D581 V582	L554-H579 HydrophobicContact CB-CB 4.09Å; V555-H579 PolarHBondContact O-CD2 3.15Å; G558-H579 VanDerWaalsContact CA-CD2 3.44Å; G558-H579 WeakPolarHBondContact CA-CD2 3.46Å; G558-H579 PolarHBondContact O-NE2 3.39Å; G558-H579 VanDerWaalsContact O-NE2 3.15Å; S559-H579 PolarHBondContact O-CD2 3.14Å; S559-H579 PolarHBondContact O-NE2 3.4Å; I577-H579 HydrophobicContact CG2-CB 3.92Å; I577-H579 PolarHBondContact O-N 3.49Å; H579-D581 VanDerWaalsContact C-N 3.25Å; H579-D581 PolarHBondContact ND1-N 3.47Å; H579-D581 PolarHBondContact O-N 3.31Å; H579-D581 VanDerWaalsContact O-N 3.16Å; H579-V582 HydrophobicContact CB-CG2 3.85Å; H579-V582 WeakPolarHBondContact O-CG2 3.28Å; H579-V582 PolarHBondContact O-N 2.9Å
580	P	85.7	Confident	91.8	Very high	84 Å²	84	47.5 Å²	47.5	55%	0.545	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.1	-171.9	23.1	-34.6	0	0	0	114.5	Y164	Y164-P580 WeakPolarHBondContact CD2-O 2.89Å
581	D	87.5	Confident	91.6	Very high	35 Å²	35	45 Å²	45	19%	0.187	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	4.8	-177.7	-64.4	-18.2	0	0	0	114.6	H579 G583 R584 Y585	H579-D581 VanDerWaalsContact C-N 3.25Å; H579-D581 PolarHBondContact ND1-N 3.47Å; H579-D581 PolarHBondContact O-N 3.31Å; H579-D581 VanDerWaalsContact O-N 3.16Å; D581-G583 VanDerWaalsContact C-N 3.27Å; D581-G583 PolarHBondContact O-N 3.38Å; D581-R584 HydrophobicContact CB-CB 4.47Å; D581-R584 WeakPolarHBondContact O-CB 3.45Å; D581-R584 PolarHBondContact O-N 3.26Å; D581-Y585 HydrophobicContact CB-CE2 4.44Å; D581-Y585 WeakPolarHBondContact O-CD2 3.5Å
582	V	93	Very high	91.7	Very high	10 Å²	10	46.2 Å²	46.2	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-53.7	-45.8	179	166.5	0	0	0	0	111.6	L160 V519 L554 H579 R584 Y585 F586 Y594	L160-V582 HydrophobicContact CD1-CG1 4.07Å; V519-V582 HydrophobicContact CG1-CG2 4.47Å; L554-V582 HydrophobicContact CD1-CB 4.47Å; L554-V582 HydrophobicContact CD1-CG2 3.89Å; H579-V582 HydrophobicContact CB-CG2 3.85Å; H579-V582 WeakPolarHBondContact O-CG2 3.28Å; H579-V582 PolarHBondContact O-N 2.9Å; V582-R584 PolarHBondContact O-N 3.26Å; V582-Y585 PolarHBondContact O-N 2.91Å; V582-Y585 VanDerWaalsContact O-N 3.11Å; V582-F586 HydrophobicContact CG1-CB 4.42Å; V582-F586 HydrophobicContact CG1-CD2 4.07Å; V582-F586 WeakPolarHBondContact O-CD2 3.16Å; V582-F586 PolarHBondContact O-N 3.12Å; V582-Y594 HydrophobicContact CG1-CD1 3.87Å; V582-Y594 HydrophobicContact CG1-CE1 3.37Å
583	G	93	Very high	92.1	Very high	8 Å²	8	41.6 Å²	41.6	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-20.5	179.6	0	0	0	0	0	114.1	L160 T161 D581 Y585	L160-G583 WeakPolarHBondContact O-CA 3.44Å; T161-G583 WeakPolarHBondContact CA-O 3.44Å; T161-G583 WeakPolarHBondContact CB-O 3.49Å; T161-G583 PolarHBondContact OG1-O 3.16Å; T161-G583 VanDerWaalsContact OG1-O 3.07Å; D581-G583 VanDerWaalsContact C-N 3.27Å; D581-G583 PolarHBondContact O-N 3.38Å; G583-Y585 PolarHBondContact O-N 3.16Å
584	R	91.1	Very high	92.6	Very high	9 Å²	9	35.5 Å²	35.5	3%	0.034	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-33.5	173.6	-172.9	-179	177.9	-163.2	-5.1	111.6	F122 Y164 E441 D581 V582 N597	F122-R584 WeakPolarHBondContact CE2-O 3.42Å; F122-R584 PolarHBondContact O-NE 3.42Å; F122-R584 PolarHBondContact O-NH2 2.88Å; Y164-R584 HydrophobicContact CD1-CB 4.12Å; Y164-R584 HydrophobicContact CE1-CB 3.77Å; Y164-R584 HydrophobicContact CE1-CG 4.04Å; Y164-R584 HydrophobicContact CE2-CB 4.22Å; Y164-R584 HydrophobicContact CG-CB 4.5Å; E441-R584 IonicContact OE2-NH1 3.13Å; E441-R584 IonicContact OE2-NH2 3.18Å; D581-R584 HydrophobicContact CB-CB 4.47Å; D581-R584 WeakPolarHBondContact O-CB 3.45Å; D581-R584 PolarHBondContact O-N 3.26Å; V582-R584 PolarHBondContact O-N 3.26Å; R584-N597 PolarHBondContact O-ND2 3.41Å
585	Y	93.8	Very high	92.9	Very high	10 Å²	10	36.2 Å²	36.2	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-108.6	-32.9	-171	-63.1	-71.1	0	0	0	113	F122 Y521 L554 D581 V582 G583 N597	F122-Y585 AromaticContact CE2-CD1 3.88Å; F122-Y585 HydrophobicContact CE2-CD1 3.88Å; F122-Y585 HydrophobicContact CE2-CE1 4.42Å; F122-Y585 AromaticContact CZ-CD1 3.85Å; F122-Y585 HydrophobicContact CZ-CD1 3.85Å; F122-Y585 HydrophobicContact CZ-CE1 4.23Å; Y521-Y585 AromaticContact CD2-CD1 3.87Å; Y521-Y585 HydrophobicContact CD2-CD1 3.87Å; Y521-Y585 HydrophobicContact CD2-CD2 4.23Å; Y521-Y585 AromaticContact CD2-CE1 3.52Å; Y521-Y585 HydrophobicContact CD2-CE1 3.52Å; Y521-Y585 AromaticContact CD2-CE2 3.9Å; Y521-Y585 HydrophobicContact CD2-CE2 3.9Å; Y521-Y585 HydrophobicContact CD2-CG 4.21Å; Y521-Y585 AromaticContact CD2-CZ 3.53Å; Y521-Y585 AromaticContact CE2-CE1 3.94Å; Y521-Y585 HydrophobicContact CE2-CE1 3.94Å; Y521-Y585 HydrophobicContact CE2-CE2 4.17Å; Y521-Y585 AromaticContact CE2-CZ 3.62Å; Y521-Y585 HydrophobicContact CG-CD1 4.43Å; Y521-Y585 HydrophobicContact CG-CD2 4.27Å; Y521-Y585 HydrophobicContact CG-CE1 4.42Å; Y521-Y585 HydrophobicContact CG-CE2 4.24Å; Y521-Y585 HydrophobicContact CG-CG 4.36Å; L554-Y585 HydrophobicContact CD1-CD2 3.95Å; L554-Y585 HydrophobicContact CD1-CE2 4.41Å; L554-Y585 HydrophobicContact CD2-CE2 4.28Å; D581-Y585 HydrophobicContact CB-CE2 4.44Å; D581-Y585 WeakPolarHBondContact O-CD2 3.5Å; V582-Y585 PolarHBondContact O-N 2.91Å; V582-Y585 VanDerWaalsContact O-N 3.11Å; G583-Y585 PolarHBondContact O-N 3.16Å; Y585-N597 VanDerWaalsContact O-CG 3.24Å; Y585-N597 PolarHBondContact O-N 3.11Å; Y585-N597 PolarHBondContact O-ND2 3.35Å; Y585-N597 PolarHBondContact O-OD1 3.32Å
586	F	96.8	Very high	93.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.7	-171.5	-56.1	-71.6	0	0	0	112.2	L160 T161 V519 I520 L554 V582 Y594 I595 L600	L160-F586 WeakPolarHBondContact CB-O 3.46Å; T161-F586 PolarHBondContact N-O 3.35Å; T161-F586 PolarHBondContact OG1-O 3.16Å; V519-F586 HydrophobicContact CG1-CE2 4.12Å; V519-F586 HydrophobicContact CG2-CE2 3.79Å; V519-F586 HydrophobicContact CG2-CZ 3.77Å; I520-F586 WeakPolarHBondContact O-CZ 3.24Å; L554-F586 HydrophobicContact CD1-CE2 4.47Å; V582-F586 HydrophobicContact CG1-CB 4.42Å; V582-F586 HydrophobicContact CG1-CD2 4.07Å; V582-F586 WeakPolarHBondContact O-CD2 3.16Å; V582-F586 PolarHBondContact O-N 3.12Å; F586-Y594 HydrophobicContact CB-CD1 3.91Å; F586-Y594 HydrophobicContact CB-CG 4.31Å; F586-Y594 VanDerWaalsContact CD1-CB 3.4Å; F586-Y594 HydrophobicContact CD1-CG 4.37Å; F586-Y594 HydrophobicContact CD2-CD1 4.3Å; F586-Y594 HydrophobicContact CD2-CG 4.23Å; F586-Y594 HydrophobicContact CG-CD1 4.09Å; F586-Y594 HydrophobicContact CG-CG 4.04Å; F586-I595 CarbonylContact C-O 3.57Å; F586-I595 VanDerWaalsContact CA-O 3.28Å; F586-I595 WeakPolarHBondContact CA-O 3.41Å; F586-I595 WeakPolarHBondContact CB-O 3.4Å; F586-L600 HydrophobicContact CD1-CD2 4.32Å; F586-L600 HydrophobicContact CE1-CD2 3.78Å; F586-L600 HydrophobicContact CZ-CD2 4.16Å
587	S	95.9	Very high	93.2	Very high	36 Å²	36	26.5 Å²	26.5	25%	0.252	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-28.2	-179.8	62.6	0	0	0	0	112.8	A159 L160 I595 P596	A159-S587 CarbonylContact C-O 3.45Å; A159-S587 WeakPolarHBondContact CA-O 3.03Å; A159-S587 PolarHBondContact N-O 3.26Å; L160-S587 PolarHBondContact N-O 2.99Å; S587-I595 PolarHBondContact N-O 3.43Å; S587-I595 PolarHBondContact OG-O 3.21Å; S587-P596 PolarHBondContact OG-O 2.87Å
588	E	95.9	Very high	93.3	Very high	51 Å²	51	29 Å²	29	24%	0.238	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	148.1	-175.3	174.8	167.2	171.9	0	0	112	R157 K158 Y594 I595	R157-E588 CarbonylContact O-C 3.58Å; R157-E588 VanDerWaalsContact O-CA 3.31Å; R157-E588 WeakPolarHBondContact O-CA 3.25Å; K158-E588 WeakPolarHBondContact CE-OE1 3.49Å; K158-E588 HydrophobicContact CG-CG 4.06Å; E588-Y594 CarbonylContact O-C 3.54Å; E588-Y594 WeakPolarHBondContact O-CA 3.5Å; E588-I595 HydrophobicContact CB-CB 4.34Å; E588-I595 HydrophobicContact CB-CD1 4.18Å; E588-I595 HydrophobicContact CB-CG1 4.35Å; E588-I595 HydrophobicContact CG-CD1 4.32Å; E588-I595 PolarHBondContact O-N 3.38Å
589	F	95.9	Very high	93.4	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120	161.9	-177.2	-128.1	0	0	0	110.1	R157 I508 E576 G591 H593 Y594	R157-F589 HydrophobicContact CB-CB 4.02Å; R157-F589 VanDerWaalsContact CD-CD1 3.47Å; R157-F589 PolarHBondContact O-N 3.04Å; I508-F589 HydrophobicContact CD1-CD2 4.33Å; I508-F589 HydrophobicContact CD1-CE2 3.3Å; I508-F589 HydrophobicContact CD1-CZ 3.59Å; I508-F589 HydrophobicContact CG1-CE2 4.48Å; E576-F589 HydrophobicContact CB-CD1 3.72Å; E576-F589 HydrophobicContact CB-CE1 3.8Å; E576-F589 HydrophobicContact CG-CD1 4.02Å; E576-F589 HydrophobicContact CG-CG 4.48Å; F589-G591 VanDerWaalsContact C-N 3.3Å; F589-G591 VanDerWaalsContact CE1-CA 3.5Å; F589-G591 VanDerWaalsContact CZ-O 3.26Å; F589-G591 WeakPolarHBondContact CZ-O 3.28Å; F589-G591 PolarHBondContact O-N 2.63Å; F589-H593 WeakPolarHBondContact CD2-O 3.45Å; F589-Y594 HydrophobicContact CB-CD1 3.84Å; F589-Y594 HydrophobicContact CB-CE1 3.57Å; F589-Y594 HydrophobicContact CD2-CD1 4.07Å; F589-Y594 AromaticContact CD2-CD2 3.8Å; F589-Y594 HydrophobicContact CD2-CD2 3.8Å; F589-Y594 AromaticContact CD2-CE1 3.96Å; F589-Y594 HydrophobicContact CD2-CE1 3.96Å; F589-Y594 AromaticContact CD2-CE2 3.68Å; F589-Y594 HydrophobicContact CD2-CE2 3.68Å; F589-Y594 HydrophobicContact CD2-CG 4Å; F589-Y594 AromaticContact CD2-CZ 3.77Å; F589-Y594 HydrophobicContact CE2-CD2 4.3Å; F589-Y594 HydrophobicContact CE2-CE2 4.09Å; F589-Y594 HydrophobicContact CG-CD1 4.35Å; F589-Y594 AromaticContact CG-CE1 3.98Å; F589-Y594 HydrophobicContact CG-CE1 3.98Å; F589-Y594 HydrophobicContact CG-CE2 4.37Å; F589-Y594 AromaticContact CG-CZ 3.99Å
590	T	92.9	Very high	93.6	Very high	56 Å²	56	25.4 Å²	25.4	34%	0.344	16%	0.159	S	C	.	.			trans	-82.5	-8.9	-175.2	64	0	0	0	0	113.5	H593 I595	T590-H593 PolarHBondContact N-O 3.1Å; T590-H593 PolarHBondContact OG1-CE1 2.95Å; T590-H593 PolarHBondContact OG1-N 3.39Å; T590-H593 PolarHBondContact OG1-ND1 3.49Å; T590-H593 PolarHBondContact OG1-O 2.88Å; T590-I595 HydrophobicContact CG2-CD1 3.7Å; T590-I595 HydrophobicContact CG2-CG1 3.62Å
591	G	91.2	Very high	94.1	Very high	27 Å²	27	25.5 Å²	25.5	28%	0.278	15%	0.152	S	C	.	.	S	Bend	trans	105.2	-21.8	-171.1	0	0	0	0	0	113.4	F589	F589-G591 VanDerWaalsContact C-N 3.3Å; F589-G591 VanDerWaalsContact CE1-CA 3.5Å; F589-G591 VanDerWaalsContact CZ-O 3.26Å; F589-G591 WeakPolarHBondContact CZ-O 3.28Å; F589-G591 PolarHBondContact O-N 2.63Å
592	T	92.2	Very high	94.3	Very high	40 Å²	40	28.2 Å²	28.2	25%	0.245	17%	0.165	C	C	.	.	S	Bend	trans	-124.2	-30	176.6	57.5	0	0	0	0	113.8	P574 V615 Y619	P574-T592 WeakPolarHBondContact CB-O 3.17Å; P574-T592 HydrophobicContact CG-CG2 4.28Å; T592-V615 WeakPolarHBondContact OG1-CG1 3.36Å; T592-Y619 HydrophobicContact CG2-CD2 4.47Å; T592-Y619 HydrophobicContact CG2-CG 4.47Å
593	H	95.1	Very high	94.2	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.037	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-149.6	167.8	-179.6	63.8	-79.2	0	0	0	110.3	G506 F589 T590 V611 Y612 V615	G506-H593 WeakPolarHBondContact O-CA 3.44Å; F589-H593 WeakPolarHBondContact CD2-O 3.45Å; T590-H593 PolarHBondContact N-O 3.1Å; T590-H593 PolarHBondContact OG1-CE1 2.95Å; T590-H593 PolarHBondContact OG1-N 3.39Å; T590-H593 PolarHBondContact OG1-ND1 3.49Å; T590-H593 PolarHBondContact OG1-O 2.88Å; H593-V611 HydrophobicContact CB-CG1 3.82Å; H593-V611 VanDerWaalsContact CD2-CG1 3.4Å; H593-V611 WeakPolarHBondContact CD2-CG1 3.44Å; H593-Y612 AromaticContact CE1-CE1 3.95Å; H593-Y612 AromaticContact NE2-CE1 3.61Å; H593-V615 HydrophobicContact CB-CG2 4.19Å
594	Y	97.1	Very high	94.3	Very high	1 Å²	1	31 Å²	31	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.1	174.3	-72.1	-91.8	0	0	0	111.7	L160 G506 I508 V519 E576 I577 V582 F586 E588 F589	L160-Y594 HydrophobicContact CD1-CD1 3.97Å; L160-Y594 HydrophobicContact CD1-CE1 3.87Å; G506-Y594 PolarHBondContact O-N 3.09Å; I508-Y594 HydrophobicContact CD1-CE2 4.12Å; I508-Y594 HydrophobicContact CG1-CD2 4.28Å; I508-Y594 HydrophobicContact CG1-CE2 4.08Å; V519-Y594 HydrophobicContact CB-CD2 4.09Å; V519-Y594 HydrophobicContact CB-CE2 4.15Å; V519-Y594 HydrophobicContact CG1-CE2 4.41Å; V519-Y594 HydrophobicContact CG2-CD2 3.55Å; V519-Y594 HydrophobicContact CG2-CE2 4.12Å; V519-Y594 HydrophobicContact CG2-CG 4.25Å; E576-Y594 WeakPolarHBondContact CA-OH 3.46Å; E576-Y594 WeakPolarHBondContact CG-OH 3.49Å; I577-Y594 HydrophobicContact CG1-CE2 4.34Å; I577-Y594 PolarHBondContact N-OH 3.15Å; V582-Y594 HydrophobicContact CG1-CD1 3.87Å; V582-Y594 HydrophobicContact CG1-CE1 3.37Å; F586-Y594 HydrophobicContact CB-CD1 3.91Å; F586-Y594 HydrophobicContact CB-CG 4.31Å; F586-Y594 VanDerWaalsContact CD1-CB 3.4Å; F586-Y594 HydrophobicContact CD1-CG 4.37Å; F586-Y594 HydrophobicContact CD2-CD1 4.3Å; F586-Y594 HydrophobicContact CD2-CG 4.23Å; F586-Y594 HydrophobicContact CG-CD1 4.09Å; F586-Y594 HydrophobicContact CG-CG 4.04Å; E588-Y594 CarbonylContact O-C 3.54Å; E588-Y594 WeakPolarHBondContact O-CA 3.5Å; F589-Y594 HydrophobicContact CB-CD1 3.84Å; F589-Y594 HydrophobicContact CB-CE1 3.57Å; F589-Y594 HydrophobicContact CD2-CD1 4.07Å; F589-Y594 AromaticContact CD2-CD2 3.8Å; F589-Y594 HydrophobicContact CD2-CD2 3.8Å; F589-Y594 AromaticContact CD2-CE1 3.96Å; F589-Y594 HydrophobicContact CD2-CE1 3.96Å; F589-Y594 AromaticContact CD2-CE2 3.68Å; F589-Y594 HydrophobicContact CD2-CE2 3.68Å; F589-Y594 HydrophobicContact CD2-CG 4Å; F589-Y594 AromaticContact CD2-CZ 3.77Å; F589-Y594 HydrophobicContact CE2-CD2 4.3Å; F589-Y594 HydrophobicContact CE2-CE2 4.09Å; F589-Y594 HydrophobicContact CG-CD1 4.35Å; F589-Y594 AromaticContact CG-CE1 3.98Å; F589-Y594 HydrophobicContact CG-CE1 3.98Å; F589-Y594 HydrophobicContact CG-CE2 4.37Å; F589-Y594 AromaticContact CG-CZ 3.99Å
595	I	97.1	Very high	94.5	Very high	36 Å²	36	33.3 Å²	33.3	19%	0.185	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.3	172.2	-54.6	-176.3	0	0	0	108.2	F586 S587 E588 T590	F586-I595 CarbonylContact C-O 3.57Å; F586-I595 VanDerWaalsContact CA-O 3.28Å; F586-I595 WeakPolarHBondContact CA-O 3.41Å; F586-I595 WeakPolarHBondContact CB-O 3.4Å; S587-I595 PolarHBondContact N-O 3.43Å; S587-I595 PolarHBondContact OG-O 3.21Å; E588-I595 HydrophobicContact CB-CB 4.34Å; E588-I595 HydrophobicContact CB-CD1 4.18Å; E588-I595 HydrophobicContact CB-CG1 4.35Å; E588-I595 HydrophobicContact CG-CD1 4.32Å; E588-I595 PolarHBondContact O-N 3.38Å; T590-I595 HydrophobicContact CG2-CD1 3.7Å; T590-I595 HydrophobicContact CG2-CG1 3.62Å
596	P	96.9	Very high	94.6	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.052	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	153.8	175.7	26.8	-33.7	0	0	0	111	I505 S587 L600 E601	I505-P596 HydrophobicContact CD1-CB 3.99Å; I505-P596 HydrophobicContact CD1-CG 4.35Å; S587-P596 PolarHBondContact OG-O 2.87Å; P596-L600 HydrophobicContact CB-CB 4.05Å; P596-L600 HydrophobicContact CB-CD2 3.94Å; P596-L600 HydrophobicContact CB-CG 4.13Å; P596-E601 HydrophobicContact CG-CB 4.48Å
597	N	95.8	Very high	94.5	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.048	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-82.5	170.3	164.7	69.4	24.9	0	0	0	110.6	T161 R584 Y585 E599 L600 E601	T161-N597 HydrophobicContact CG2-CB 4.45Å; T161-N597 WeakPolarHBondContact OG1-CB 3.45Å; T161-N597 PolarHBondContact OG1-ND2 3.21Å; R584-N597 PolarHBondContact O-ND2 3.41Å; Y585-N597 VanDerWaalsContact O-CG 3.24Å; Y585-N597 PolarHBondContact O-N 3.11Å; Y585-N597 PolarHBondContact O-ND2 3.35Å; Y585-N597 PolarHBondContact O-OD1 3.32Å; N597-E599 PolarHBondContact O-N 3.31Å; N597-E599 VanDerWaalsContact O-N 3.14Å; N597-E599 PolarHBondContact OD1-N 2.85Å; N597-L600 PolarHBondContact O-N 3.36Å; N597-L600 VanDerWaalsContact O-N 3.12Å; N597-L600 PolarHBondContact OD1-N 2.72Å; N597-E601 WeakPolarHBondContact O-CB 3.37Å; N597-E601 PolarHBondContact O-N 3.06Å
598	A	94.5	Very high	94.3	Very high	59 Å²	59	35.1 Å²	35.1	49%	0.488	20%	0.195	S	C	.	.	H	α-helix	trans	-55	-36.1	-175.8	0	0	0	0	0	113.4	I602	A598-I602 WeakPolarHBondContact O-CD1 3.49Å; A598-I602 VanDerWaalsContact O-CG1 3.22Å; A598-I602 WeakPolarHBondContact O-CG1 3.38Å; A598-I602 PolarHBondContact O-N 3.05Å
599	E	92.1	Very high	94.2	Very high	38 Å²	38	39 Å²	39	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-74.1	-36.3	-178.1	-56.9	-58.7	148.1	0	0	112.2	K119 F122 N597	K119-E599 VanDerWaalsContact CA-OE1 3.31Å; K119-E599 WeakPolarHBondContact CA-OE1 3.34Å; K119-E599 WeakPolarHBondContact CB-OE1 3.4Å; F122-E599 HydrophobicContact CB-CB 3.83Å; F122-E599 HydrophobicContact CB-CG 3.97Å; F122-E599 HydrophobicContact CD1-CB 3.82Å; F122-E599 HydrophobicContact CD2-CB 3.43Å; F122-E599 VanDerWaalsContact CD2-CB 3.43Å; F122-E599 HydrophobicContact CD2-CG 4.19Å; F122-E599 HydrophobicContact CE1-CB 4.2Å; F122-E599 HydrophobicContact CE2-CB 3.82Å; F122-E599 HydrophobicContact CG-CB 3.41Å; F122-E599 VanDerWaalsContact CG-CB 3.41Å; F122-E599 HydrophobicContact CG-CG 4.11Å; F122-E599 HydrophobicContact CZ-CB 4.19Å; N597-E599 PolarHBondContact O-N 3.31Å; N597-E599 VanDerWaalsContact O-N 3.14Å; N597-E599 PolarHBondContact OD1-N 2.85Å
600	L	92.9	Very high	94	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-72.5	-37.7	174.2	-172.8	63.3	0	0	0	111.4	F122 I505 Y521 F586 P596 N597 I602 R603 Y604	F122-L600 HydrophobicContact CE2-CB 4.06Å; F122-L600 HydrophobicContact CZ-CB 3.72Å; F122-L600 HydrophobicContact CZ-CD1 3.92Å; F122-L600 HydrophobicContact CZ-CG 4.41Å; I505-L600 HydrophobicContact CD1-CD1 4.3Å; I505-L600 HydrophobicContact CD1-CD2 3.66Å; I505-L600 HydrophobicContact CD1-CG 3.58Å; Y521-L600 WeakPolarHBondContact O-CD1 3.3Å; F586-L600 HydrophobicContact CD1-CD2 4.32Å; F586-L600 HydrophobicContact CE1-CD2 3.78Å; F586-L600 HydrophobicContact CZ-CD2 4.16Å; P596-L600 HydrophobicContact CB-CB 4.05Å; P596-L600 HydrophobicContact CB-CD2 3.94Å; P596-L600 HydrophobicContact CB-CG 4.13Å; N597-L600 PolarHBondContact O-N 3.36Å; N597-L600 VanDerWaalsContact O-N 3.12Å; N597-L600 PolarHBondContact OD1-N 2.72Å; L600-I602 VanDerWaalsContact C-N 3.34Å; L600-I602 PolarHBondContact O-N 2.98Å; L600-R603 PolarHBondContact O-N 3.47Å; L600-R603 VanDerWaalsContact O-N 3.1Å; L600-Y604 HydrophobicContact CD1-CD2 3.59Å; L600-Y604 HydrophobicContact CD1-CE2 3.63Å; L600-Y604 HydrophobicContact CG-CD2 4.21Å; L600-Y604 PolarHBondContact O-N 3Å
601	E	94.8	Very high	93.9	Very high	87 Å²	87	40 Å²	40	41%	0.407	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-38.7	175.6	-172.7	176	-162	0	0	111.9	P596 N597 R603 Y604 P605	P596-E601 HydrophobicContact CG-CB 4.48Å; N597-E601 WeakPolarHBondContact O-CB 3.37Å; N597-E601 PolarHBondContact O-N 3.06Å; E601-R603 PolarHBondContact O-N 3.48Å; E601-Y604 CarbonylContact O-C 3.24Å; E601-Y604 VanDerWaalsContact O-C 3.24Å; E601-Y604 PolarHBondContact O-N 3.27Å; E601-P605 WeakPolarHBondContact O-CA 3.45Å
602	I	92.8	Very high	93.9	Very high	91 Å²	91	43.6 Å²	43.6	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-57	-35.9	172.7	-73.2	162.8	0	0	0	111.7	V488 A598 L600	V488-I602 HydrophobicContact CG1-CG2 4.42Å; A598-I602 WeakPolarHBondContact O-CD1 3.49Å; A598-I602 VanDerWaalsContact O-CG1 3.22Å; A598-I602 WeakPolarHBondContact O-CG1 3.38Å; A598-I602 PolarHBondContact O-N 3.05Å; L600-I602 VanDerWaalsContact C-N 3.34Å; L600-I602 PolarHBondContact O-N 2.98Å
603	R	91.3	Very high	93.8	Very high	58 Å²	58	46.5 Å²	46.5	22%	0.219	23%	0.229	C	C	.	.	H	α-helix	trans	-80.7	-29.5	-180	-65.3	-172.3	-176.5	-165.7	2.9	113.3	S123 V488 K491 L600 E601	S123-R603 PolarHBondContact OG-NH2 3.26Å; V488-R603 HydrophobicContact CG1-CG 3.79Å; K491-R603 PolarHBondContact N-O 2.79Å; L600-R603 PolarHBondContact O-N 3.47Å; L600-R603 VanDerWaalsContact O-N 3.1Å; E601-R603 PolarHBondContact O-N 3.48Å
604	Y	94.9	Very high	93.5	Very high	18 Å²	18	47.1 Å²	47.1	7%	0.071	23%	0.234	C	C	.	.	S	Bend	trans	-134.4	64.9	-176.2	-57	-83.5	0	0	0	110.9	K491 I505 G522 W523 L600 E601 E606 D607	K491-Y604 HydrophobicContact CB-CD1 3.95Å; K491-Y604 HydrophobicContact CB-CE1 3.97Å; K491-Y604 HydrophobicContact CD-CD1 4.43Å; K491-Y604 HydrophobicContact CD-CE1 3.6Å; K491-Y604 HydrophobicContact CG-CE1 4.34Å; I505-Y604 HydrophobicContact CD1-CD2 3.98Å; I505-Y604 HydrophobicContact CD1-CG 4.08Å; I505-Y604 HydrophobicContact CG2-CD1 4.39Å; I505-Y604 HydrophobicContact CG2-CD2 4.06Å; I505-Y604 HydrophobicContact CG2-CE2 4.26Å; I505-Y604 HydrophobicContact CG2-CG 4.13Å; G522-Y604 VanDerWaalsContact CA-OH 3.24Å; G522-Y604 WeakPolarHBondContact CA-OH 3.36Å; W523-Y604 AromaticContact CD1-CD1 3.93Å; W523-Y604 AromaticContact CD1-CE1 3.73Å; W523-Y604 HydrophobicContact CD2-CD1 4.3Å; W523-Y604 AromaticContact CD2-CE1 3.88Å; W523-Y604 HydrophobicContact CD2-CE1 3.88Å; W523-Y604 AromaticContact CE2-CD1 3.5Å; W523-Y604 AromaticContact CE2-CE1 3.57Å; W523-Y604 HydrophobicContact CG-CE1 4Å; W523-Y604 AromaticContact CZ2-CD1 3.82Å; W523-Y604 HydrophobicContact CZ2-CD1 3.82Å; W523-Y604 HydrophobicContact CZ2-CE1 4.13Å; W523-Y604 PolarHBondContact N-OH 2.86Å; W523-Y604 AromaticContact NE1-CD1 3.22Å; W523-Y604 AromaticContact NE1-CE1 3.44Å; L600-Y604 HydrophobicContact CD1-CD2 3.59Å; L600-Y604 HydrophobicContact CD1-CE2 3.63Å; L600-Y604 HydrophobicContact CG-CD2 4.21Å; L600-Y604 PolarHBondContact O-N 3Å; E601-Y604 CarbonylContact O-C 3.24Å; E601-Y604 VanDerWaalsContact O-C 3.24Å; E601-Y604 PolarHBondContact O-N 3.27Å; Y604-E606 VanDerWaalsContact C-N 3.27Å; Y604-E606 PolarHBondContact O-N 3.09Å; Y604-D607 PolarHBondContact O-N 2.62Å
605	P	95	Very high	93	Very high	59 Å²	59	48 Å²	48	38%	0.383	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.1	-166.5	26.8	-36.3	0	0	0	114.2	V490 L492 E601	V490-P605 HydrophobicContact CG1-CG 3.91Å; L492-P605 HydrophobicContact CD2-CG 3.51Å; E601-P605 WeakPolarHBondContact O-CA 3.45Å
606	E	95.5	Very high	92.5	Very high	52 Å²	52	52.1 Å²	52.1	24%	0.243	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-19.7	-177.5	-64	174	176.9	0	0	112.2	L492 R493 S494 Y604 L608 E609 F610	L492-E606 HydrophobicContact CD2-CG 4.37Å; R493-E606 VanDerWaalsContact CA-OE2 3.25Å; R493-E606 WeakPolarHBondContact CA-OE2 3.33Å; R493-E606 HydrophobicContact CB-CB 4.28Å; R493-E606 WeakPolarHBondContact CB-OE2 3.37Å; R493-E606 HydrophobicContact CG-CB 4.19Å; R493-E606 PolarHBondContact N-OE2 3.48Å; S494-E606 PolarHBondContact N-OE2 3.44Å; S494-E606 PolarHBondContact OG-OE1 3.24Å; S494-E606 PolarHBondContact OG-OE2 3.17Å; Y604-E606 VanDerWaalsContact C-N 3.27Å; Y604-E606 PolarHBondContact O-N 3.09Å; E606-L608 VanDerWaalsContact C-N 3.32Å; E606-L608 PolarHBondContact O-N 3.1Å; E606-E609 PolarHBondContact O-N 3.43Å; E606-F610 HydrophobicContact CB-CE2 4.36Å; E606-F610 VanDerWaalsContact O-CD2 3.32Å; E606-F610 WeakPolarHBondContact O-CD2 3.18Å
607	D	95.1	Very high	91.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-33.7	-168.6	-92.9	38.7	0	0	0	113.7	R493 S504 I505 W523 Y604 E609 F610 V611	R493-D607 IonicContact CZ-OD1 2.75Å; R493-D607 IonicContact CZ-OD2 3.86Å; R493-D607 IonicContact NE-OD1 3.67Å; R493-D607 PolarHBondContact NE-OD1 3.2Å; R493-D607 IonicContact NE-OD2 3.22Å; R493-D607 IonicContact NH2-OD1 3.75Å; R493-D607 PolarHBondContact NH2-OD1 2.91Å; R493-D607 IonicContact NH2-OD2 3.44Å; R493-D607 PolarHBondContact NH2-OD2 2.89Å; S504-D607 VanDerWaalsContact CA-OD2 3.28Å; S504-D607 WeakPolarHBondContact CA-OD2 3.48Å; I505-D607 HydrophobicContact CD1-CB 4.29Å; I505-D607 HydrophobicContact CG1-CB 3.59Å; I505-D607 PolarHBondContact N-OD2 3.46Å; W523-D607 PolarHBondContact NE1-OD1 3.33Å; W523-D607 PolarHBondContact NE1-OD2 2.84Å; Y604-D607 PolarHBondContact O-N 2.62Å; D607-E609 VanDerWaalsContact C-N 3.31Å; D607-E609 PolarHBondContact O-N 3.15Å; D607-F610 PolarHBondContact O-N 3.14Å; D607-V611 WeakPolarHBondContact O-CG2 3.4Å; D607-V611 PolarHBondContact O-N 3.38Å
608	L	92.6	Very high	91.1	Very high	32 Å²	32	59.8 Å²	59.8	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-35.2	-176.5	-175.2	59.4	0	0	0	112.4	E606 V611 Y612	E606-L608 VanDerWaalsContact C-N 3.32Å; E606-L608 PolarHBondContact O-N 3.1Å; L608-V611 WeakPolarHBondContact O-CB 3.33Å; L608-V611 PolarHBondContact O-N 2.82Å; L608-Y612 HydrophobicContact CD1-CE2 3.87Å; L608-Y612 HydrophobicContact CD2-CE2 4.15Å; L608-Y612 HydrophobicContact CG-CD2 4.25Å; L608-Y612 HydrophobicContact CG-CE2 3.62Å; L608-Y612 WeakPolarHBondContact O-CD2 3.37Å; L608-Y612 PolarHBondContact O-N 3.09Å
609	E	91.8	Very high	90	Very high	131 Å²	131	58.9 Å²	58.9	61%	0.612	28%	0.282	S	S	*	.	H	α-helix	trans	-64.3	-47.8	175.2	-172.7	169	-161.9	0	0	110.6	E606 D607 V611 Y612 E613	E606-E609 PolarHBondContact O-N 3.43Å; D607-E609 VanDerWaalsContact C-N 3.31Å; D607-E609 PolarHBondContact O-N 3.15Å; E609-V611 VanDerWaalsContact C-N 3.28Å; E609-V611 PolarHBondContact O-N 2.94Å; E609-Y612 PolarHBondContact O-N 3.4Å; E609-Y612 VanDerWaalsContact O-N 3.1Å; E609-E613 PolarHBondContact O-N 3.3Å; E609-E613 VanDerWaalsContact O-N 3.13Å
610	F	91.7	Very high	88.5	Confident	82 Å²	82	60.4 Å²	60.4	36%	0.36	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-34.5	175	-73.3	-85.4	0	0	0	113	R493 S504 E606 D607 T614	R493-F610 HydrophobicContact CB-CD2 4.34Å; R493-F610 HydrophobicContact CB-CE2 3.62Å; R493-F610 HydrophobicContact CB-CZ 4.01Å; R493-F610 HydrophobicContact CG-CD2 3.9Å; R493-F610 HydrophobicContact CG-CE2 3.68Å; R493-F610 HydrophobicContact CG-CZ 4.36Å; S504-F610 WeakPolarHBondContact OG-CB 3.48Å; E606-F610 HydrophobicContact CB-CE2 4.36Å; E606-F610 VanDerWaalsContact O-CD2 3.32Å; E606-F610 WeakPolarHBondContact O-CD2 3.18Å; D607-F610 PolarHBondContact O-N 3.14Å; F610-T614 VanDerWaalsContact O-CB 3.24Å; F610-T614 WeakPolarHBondContact O-CB 3.45Å; F610-T614 PolarHBondContact O-N 3.06Å; F610-T614 PolarHBondContact O-OG1 2.72Å
611	V	92.2	Very high	86.6	Confident	1 Å²	1	63 Å²	63	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-47	173.9	171.1	0	0	0	0	110.4	S504 I505 L507 H593 D607 L608 E609 T614 V615	S504-V611 VanDerWaalsContact CB-CG2 3.44Å; I505-V611 WeakPolarHBondContact O-CG2 3.35Å; L507-V611 HydrophobicContact CD2-CB 4.43Å; L507-V611 HydrophobicContact CD2-CG1 3.93Å; L507-V611 HydrophobicContact CD2-CG2 4.21Å; L507-V611 HydrophobicContact CG-CG2 4.16Å; H593-V611 HydrophobicContact CB-CG1 3.82Å; H593-V611 VanDerWaalsContact CD2-CG1 3.4Å; H593-V611 WeakPolarHBondContact CD2-CG1 3.44Å; D607-V611 WeakPolarHBondContact O-CG2 3.4Å; D607-V611 PolarHBondContact O-N 3.38Å; L608-V611 WeakPolarHBondContact O-CB 3.33Å; L608-V611 PolarHBondContact O-N 2.82Å; E609-V611 VanDerWaalsContact C-N 3.28Å; E609-V611 PolarHBondContact O-N 2.94Å; V611-T614 PolarHBondContact O-N 3.36Å; V611-V615 HydrophobicContact CG1-CG2 4.05Å; V611-V615 VanDerWaalsContact O-CB 3.31Å; V611-V615 WeakPolarHBondContact O-CB 3.31Å; V611-V615 WeakPolarHBondContact O-CG2 3.17Å; V611-V615 PolarHBondContact O-N 2.96Å
612	Y	91.6	Very high	84.4	Confident	104 Å²	104	64.3 Å²	64.3	41%	0.408	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-44.7	-179.3	-70.5	-52.1	0	0	0	112.1	H593 L608 E609 V615 Q616	H593-Y612 AromaticContact CE1-CE1 3.95Å; H593-Y612 AromaticContact NE2-CE1 3.61Å; L608-Y612 HydrophobicContact CD1-CE2 3.87Å; L608-Y612 HydrophobicContact CD2-CE2 4.15Å; L608-Y612 HydrophobicContact CG-CD2 4.25Å; L608-Y612 HydrophobicContact CG-CE2 3.62Å; L608-Y612 WeakPolarHBondContact O-CD2 3.37Å; L608-Y612 PolarHBondContact O-N 3.09Å; E609-Y612 PolarHBondContact O-N 3.4Å; E609-Y612 VanDerWaalsContact O-N 3.1Å; Y612-V615 PolarHBondContact O-N 2.86Å; Y612-Q616 WeakPolarHBondContact O-CB 3.41Å; Y612-Q616 VanDerWaalsContact O-CG 3.32Å; Y612-Q616 WeakPolarHBondContact O-CG 3.37Å; Y612-Q616 PolarHBondContact O-N 3.48Å
613	E	89.6	Confident	82	Confident	100 Å²	100	68.6 Å²	68.6	47%	0.467	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-47.5	175.2	-66.6	-175.3	166	0	0	111.6	E609 V615 Q616 N617	E609-E613 PolarHBondContact O-N 3.3Å; E609-E613 VanDerWaalsContact O-N 3.13Å; E613-V615 PolarHBondContact O-N 3.22Å; E613-Q616 PolarHBondContact O-N 3.25Å; E613-N617 VanDerWaalsContact O-CG 3.25Å; E613-N617 PolarHBondContact O-N 3.27Å; E613-N617 PolarHBondContact O-ND2 3.29Å; E613-N617 VanDerWaalsContact O-ND2 3.15Å
614	T	88.4	Confident	79.6	Confident	22 Å²	22	73.8 Å²	73.8	14%	0.135	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-46.5	179.1	-61.6	0	0	0	0	111.3	L507 Y570 F610 V611 Q616 N617 I618	L507-T614 HydrophobicContact CD1-CG2 4.21Å; L507-T614 HydrophobicContact CD2-CG2 4.32Å; Y570-T614 HydrophobicContact CD1-CG2 4.34Å; Y570-T614 HydrophobicContact CE1-CG2 3.54Å; F610-T614 VanDerWaalsContact O-CB 3.24Å; F610-T614 WeakPolarHBondContact O-CB 3.45Å; F610-T614 PolarHBondContact O-N 3.06Å; F610-T614 PolarHBondContact O-OG1 2.72Å; V611-T614 PolarHBondContact O-N 3.36Å; T614-Q616 VanDerWaalsContact C-N 3.33Å; T614-Q616 PolarHBondContact O-N 3.33Å; T614-N617 PolarHBondContact O-N 3.14Å; T614-I618 HydrophobicContact CG2-CD1 3.5Å; T614-I618 HydrophobicContact CG2-CG1 4.33Å; T614-I618 WeakPolarHBondContact O-CB 3.46Å; T614-I618 VanDerWaalsContact O-CG1 3.29Å; T614-I618 WeakPolarHBondContact O-CG1 3.44Å; T614-I618 PolarHBondContact O-N 3.47Å
615	V	87.6	Confident	77.1	Confident	18 Å²	18	78.7 Å²	78.7	11%	0.109	39%	0.392	C	S	.	.	H	α-helix	trans	-65	-39.4	-179.4	165.1	0	0	0	0	110.9	L507 T592 H593 V611 Y612 E613 Y619	L507-V615 HydrophobicContact CD2-CG2 4.25Å; T592-V615 WeakPolarHBondContact OG1-CG1 3.36Å; H593-V615 HydrophobicContact CB-CG2 4.19Å; V611-V615 HydrophobicContact CG1-CG2 4.05Å; V611-V615 VanDerWaalsContact O-CB 3.31Å; V611-V615 WeakPolarHBondContact O-CB 3.31Å; V611-V615 WeakPolarHBondContact O-CG2 3.17Å; V611-V615 PolarHBondContact O-N 2.96Å; Y612-V615 PolarHBondContact O-N 2.86Å; E613-V615 PolarHBondContact O-N 3.22Å; V615-Y619 HydrophobicContact CB-CD2 4.1Å; V615-Y619 HydrophobicContact CG1-CD2 3.92Å; V615-Y619 HydrophobicContact CG2-CD2 4.13Å; V615-Y619 HydrophobicContact CG2-CE2 4.11Å; V615-Y619 WeakPolarHBondContact O-CB 3.4Å; V615-Y619 PolarHBondContact O-N 3.31Å
616	Q	85.6	Confident	74.5	Confident	124 Å²	124	82.3 Å²	82.3	58%	0.579	41%	0.407	S	S	*	.	H	α-helix	trans	-60.7	-49.5	174.5	-77.3	-179.9	-4.7	0	0	111.1	Y612 E613 T614 I618 S620	Y612-Q616 WeakPolarHBondContact O-CB 3.41Å; Y612-Q616 VanDerWaalsContact O-CG 3.32Å; Y612-Q616 WeakPolarHBondContact O-CG 3.37Å; Y612-Q616 PolarHBondContact O-N 3.48Å; E613-Q616 PolarHBondContact O-N 3.25Å; T614-Q616 VanDerWaalsContact C-N 3.33Å; T614-Q616 PolarHBondContact O-N 3.33Å; Q616-I618 PolarHBondContact O-N 2.98Å; Q616-S620 WeakPolarHBondContact CA-OG 3.26Å; Q616-S620 WeakPolarHBondContact O-CB 3.41Å; Q616-S620 PolarHBondContact O-N 2.92Å; Q616-S620 VanDerWaalsContact O-N 3.12Å; Q616-S620 PolarHBondContact O-OG 3.19Å
617	N	84	Confident	71.8	Confident	123 Å²	123	87.1 Å²	87.1	66%	0.658	43%	0.434	S	S	*	.	H	α-helix	trans	-65	-40.6	-177.9	-68.8	-28.4	0	0	0	113.2	E613 T614	E613-N617 VanDerWaalsContact O-CG 3.25Å; E613-N617 PolarHBondContact O-N 3.27Å; E613-N617 PolarHBondContact O-ND2 3.29Å; E613-N617 VanDerWaalsContact O-ND2 3.15Å; T614-N617 PolarHBondContact O-N 3.14Å
618	I	79.9	Confident	68.9	Low	55 Å²	55	98.2 Å²	98.2	28%	0.282	49%	0.486	S	S	.	.	H	α-helix	trans	-86.3	-42.6	-172.6	-63.3	177.6	0	0	0	112.1	Y570 T614 Q616	Y570-I618 HydrophobicContact CD1-CD1 3.42Å; Y570-I618 VanDerWaalsContact CD1-CD1 3.42Å; Y570-I618 HydrophobicContact CD2-CD1 3.46Å; Y570-I618 VanDerWaalsContact CD2-CD1 3.46Å; Y570-I618 HydrophobicContact CE1-CD1 3.53Å; Y570-I618 HydrophobicContact CE2-CD1 3.58Å; Y570-I618 HydrophobicContact CG-CD1 3.37Å; T614-I618 HydrophobicContact CG2-CD1 3.5Å; T614-I618 HydrophobicContact CG2-CG1 4.33Å; T614-I618 WeakPolarHBondContact O-CB 3.46Å; T614-I618 VanDerWaalsContact O-CG1 3.29Å; T614-I618 WeakPolarHBondContact O-CG1 3.44Å; T614-I618 PolarHBondContact O-N 3.47Å; Q616-I618 PolarHBondContact O-N 2.98Å
619	Y	70.3	Confident	67.8	Low	39 Å²	39	101.5 Å²	101.5	15%	0.153	50%	0.502	C	S	.	.	H	α-helix	trans	-104.5	-16.8	-169.1	-54.2	-68.7	0	0	0	113.9	N571 P574 T592 V615	N571-Y619 VanDerWaalsContact O-CE1 3.26Å; N571-Y619 WeakPolarHBondContact O-CE1 3.43Å; N571-Y619 PolarHBondContact O-OH 3.24Å; P574-Y619 HydrophobicContact CG-CD1 4.28Å; P574-Y619 HydrophobicContact CG-CE1 3.74Å; T592-Y619 HydrophobicContact CG2-CD2 4.47Å; T592-Y619 HydrophobicContact CG2-CG 4.47Å; V615-Y619 HydrophobicContact CB-CD2 4.1Å; V615-Y619 HydrophobicContact CG1-CD2 3.92Å; V615-Y619 HydrophobicContact CG2-CD2 4.13Å; V615-Y619 HydrophobicContact CG2-CE2 4.11Å; V615-Y619 WeakPolarHBondContact O-CB 3.4Å; V615-Y619 PolarHBondContact O-N 3.31Å
620	S	61.5	Low	66.5	Low	70 Å²	70	99.9 Å²	99.9	49%	0.49	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-83.2	-23.1	175.4	-44.9	0	0	0	0	112.9	Q616 K622 K623	Q616-S620 WeakPolarHBondContact CA-OG 3.26Å; Q616-S620 WeakPolarHBondContact O-CB 3.41Å; Q616-S620 PolarHBondContact O-N 2.92Å; Q616-S620 VanDerWaalsContact O-N 3.12Å; Q616-S620 PolarHBondContact O-OG 3.19Å; S620-K622 PolarHBondContact O-N 2.95Å; S620-K623 PolarHBondContact O-N 2.99Å
621	A	52.3	Low	65.1	Low	57 Å²	57	100.9 Å²	100.9	47%	0.471	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-62.4	-10.4	176.1	0	0	0	0	0	114.3
622	K	48.4	Very low	63.5	Low	115 Å²	115	106.8 Å²	106.8	50%	0.5	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-84.5	-11.8	173.7	-86.7	-176.4	175.2	176.9	0	114.4	S620	S620-K622 PolarHBondContact O-N 2.95Å
623	K	43.8	Very low	61.8	Low	181 Å²	181	107 Å²	107	79%	0.787	54%	0.541	S	S	*	.	S	Bend	trans	-78	-21	176.7	-104	-177.2	177.3	-179.8	0	113.7	S620	S620-K623 PolarHBondContact O-N 2.99Å
624	E	40.8	Very low	59.9	Low	166 Å²	166	107.5 Å²	107.5	78%	0.776	55%	0.546	S	S	*	.	S	Bend	trans	-92.4	-11.4	-179.2	-69.9	-176.8	163	0	0	113.8
625	N	40.5	Very low	57.9	Low	122 Å²	122	113.6 Å²	113.6	65%	0.652	58%	0.575	S	S	*	*	S	Bend	trans	-104.9	17.7	-179.4	-85.6	-37	0	0	0	114.1
626	I	41.8	Very low	55.6	Low	134 Å²	134	120.9 Å²	120.9	69%	0.687	61%	0.611	S	S	*	*	S	Bend	trans	-113.2	-6.6	174.5	-60.5	175.2	0	0	0	111.4
627	D	38.8	Very low	53.1	Low	154 Å²	154	120.7 Å²	120.7	82%	0.824	61%	0.614	S	S	*	*			trans	-111.2	23	175.5	-76.6	-27.1	0	0	0	113.1
628	E	34.7	Very low	50.3	Low	232 Å²	232	120.5 Å²	120.5	100%	1.084	61%	0.61	S	S	*	*			trans	-118.4	0	159.1	-77.9	-168.1	166.7	0	0	109.5

Retrieved 628 of 628 residues in 5259.5 ms (Link to these results)

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