A0A3Q0KQL8_SCHMA Loading...

ceramide glucosyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KQL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 588 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	38.5	Very low	39.4	Very low	252 Å²	252	158.1 Å²	158.1	100%	1.241	77%	0.774	S	S	*	*				0	120	0	-79.4	173.5	174.2	0	0	106.6
2	D	36.6	Very low	38.8	Very low	121 Å²	121	162.6 Å²	162.6	65%	0.647	78%	0.776	S	S	*	*			trans	-73.4	140.9	-159	-154.3	-0.5	0	0	0	112.6	F4 H5	D2-F4 PolarHBondContact O-N 3.48Å; D2-H5 PolarHBondContact O-N 3.23Å
3	P	45.1	Very low	38.4	Very low	107 Å²	107	157.1 Å²	157.1	70%	0.695	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-67.5	-4.4	-173.4	-16.8	31.8	0	0	0	115.1	H5	P3-H5 PolarHBondContact O-N 3.02Å
4	F	44.8	Very low	37.8	Very low	145 Å²	145	153.1 Å²	153.1	64%	0.636	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-75.3	-5.6	178.4	-82	-79.8	0	0	0	114.6	D2 F6	D2-F4 PolarHBondContact O-N 3.48Å; F4-F6 VanDerWaalsContact C-N 3.34Å; F4-F6 PolarHBondContact O-N 3.1Å
5	H	43.6	Very low	37.8	Very low	180 Å²	180	155.1 Å²	155.1	83%	0.833	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-80.7	-8.9	-178.4	-139.8	-67.5	0	0	0	114.7	D2 P3	D2-H5 PolarHBondContact O-N 3.23Å; P3-H5 PolarHBondContact O-N 3.02Å
6	F	40.2	Very low	37.8	Very low	197 Å²	197	152.5 Å²	152.5	86%	0.864	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-10.1	177	-131.3	-88.8	0	0	0	114.3	F4	F4-F6 VanDerWaalsContact C-N 3.34Å; F4-F6 PolarHBondContact O-N 3.1Å
7	V	40.1	Very low	37.6	Very low	94 Å²	94	148.3 Å²	148.3	57%	0.57	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-12.2	-176.3	-177.9	0	0	0	0	112.8
8	N	35.3	Very low	37.3	Very low	116 Å²	116	151.8 Å²	151.8	62%	0.62	75%	0.746	S	S	*	*	S	Bend	trans	-92.4	-3.2	-173.1	-89.3	-21.3	0	0	0	116.7
9	E	36.8	Very low	37.3	Very low	185 Å²	185	152.4 Å²	152.4	86%	0.864	75%	0.752	S	S	*	*	S	Bend	trans	-85.4	-18.1	171.4	-89.3	-169.4	160.2	0	0	113.9
10	F	36.4	Very low	37.5	Very low	186 Å²	186	149 Å²	149	82%	0.816	74%	0.742	S	S	*	*	S	Bend	trans	-83.1	-17.6	179.1	-95.8	-82.5	0	0	0	114.8
11	H	36.3	Very low	37.5	Very low	156 Å²	156	146.4 Å²	146.4	72%	0.722	73%	0.731	S	S	*	*	S	Bend	trans	-106.1	6	-175.5	-92.5	-62.1	0	0	0	116.3	S13	H11-S13 PolarHBondContact O-N 3.37Å
12	R	31.5	Very low	37.7	Very low	212 Å²	212	142.7 Å²	142.7	80%	0.8	70%	0.704	S	S	*	*			trans	-95.2	56	157.5	-81.5	-171.3	-178.4	178.5	2.1	110.5	N14	R12-N14 PolarHBondContact O-N 3.3Å
13	S	33.5	Very low	38	Very low	91 Å²	91	138.5 Å²	138.5	64%	0.636	69%	0.69	S	S	*	*			trans	-63.1	74.7	152.1	56.3	0	0	0	0	108.2	H11 L15	H11-S13 PolarHBondContact O-N 3.37Å; S13-L15 PolarHBondContact O-N 3.01Å; S13-L15 VanDerWaalsContact O-N 3.13Å
14	N	31	Very low	37.8	Very low	101 Å²	101	139.9 Å²	139.9	54%	0.54	68%	0.682	S	S	.	*			trans	-49.8	118.1	162.7	-89.5	-27	0	0	0	107.1	R12 T16 T17	R12-N14 PolarHBondContact O-N 3.3Å; N14-T16 PolarHBondContact O-N 3.41Å; N14-T17 PolarHBondContact O-N 3.16Å; N14-T17 VanDerWaalsContact O-N 3.16Å
15	L	37	Very low	37.8	Very low	183 Å²	183	138.3 Å²	138.3	96%	0.958	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	18.4	169.8	-86.2	146.9	0	0	0	113.8	S13	S13-L15 PolarHBondContact O-N 3.01Å; S13-L15 VanDerWaalsContact O-N 3.13Å
16	T	37.4	Very low	37.8	Very low	114 Å²	114	139 Å²	139	70%	0.699	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	5.9	178.4	58	0	0	0	0	113	N14 R18	N14-T16 PolarHBondContact O-N 3.41Å; T16-R18 PolarHBondContact O-N 3.33Å
17	T	35.8	Very low	38.2	Very low	81 Å²	81	134 Å²	134	50%	0.497	65%	0.652	S	S	.	*			trans	-63.2	104.1	166.7	53.6	0	0	0	0	108.5	N14	N14-T17 PolarHBondContact O-N 3.16Å; N14-T17 VanDerWaalsContact O-N 3.16Å
18	R	32.1	Very low	38.6	Very low	211 Å²	211	132.1 Å²	132.1	80%	0.796	65%	0.646	S	S	*	*			trans	-38	142.3	175.1	-65.2	175.6	171.9	177.8	-3.3	110.2	T16 P20	T16-R18 PolarHBondContact O-N 3.33Å; R18-P20 HydrophobicContact CB-CG 4.33Å; R18-P20 WeakPolarHBondContact O-CD 3.32Å
19	L	37.5	Very low	39.3	Very low	164 Å²	164	132 Å²	132	86%	0.859	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.8	-20.6	176.2	-109.2	94.2	0	0	0	117.5	N21	L19-N21 VanDerWaalsContact C-N 3.32Å; L19-N21 PolarHBondContact O-N 3.44Å
20	P	40.8	Very low	39.9	Very low	84 Å²	84	127.3 Å²	127.3	55%	0.545	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-19.2	-177.8	-21.8	33.9	0	0	0	116.4	R18	R18-P20 HydrophobicContact CB-CG 4.33Å; R18-P20 WeakPolarHBondContact O-CD 3.32Å
21	N	36.7	Very low	40.6	Very low	94 Å²	94	124.6 Å²	124.6	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-83.6	-19.8	-171	-76	3.7	0	0	0	115	L19 G23 Y24 I25	L19-N21 VanDerWaalsContact C-N 3.32Å; L19-N21 PolarHBondContact O-N 3.44Å; N21-G23 VanDerWaalsContact C-N 3.31Å; N21-G23 PolarHBondContact O-N 3.47Å; N21-Y24 PolarHBondContact O-N 3.34Å; N21-I25 PolarHBondContact O-N 3.26Å
22	Y	43.3	Very low	41.4	Very low	174 Å²	174	120.8 Å²	120.8	68%	0.682	60%	0.602	S	S	*	*	H	α-helix	trans	-70.3	-28.3	178.8	-81.9	-81	0	0	0	112.9
23	G	42.2	Very low	42.5	Very low	34 Å²	34	113.2 Å²	113.2	35%	0.351	58%	0.582	S	S	.	*	H	α-helix	trans	-63.4	-47.1	171.4	0	0	0	0	0	111.2	N21 I25 Y26 Y27	N21-G23 VanDerWaalsContact C-N 3.31Å; N21-G23 PolarHBondContact O-N 3.47Å; G23-I25 PolarHBondContact O-N 3.33Å; G23-Y26 PolarHBondContact O-N 3.21Å; G23-Y27 WeakPolarHBondContact O-CD2 3.5Å; G23-Y27 PolarHBondContact O-N 3.15Å; G23-Y27 VanDerWaalsContact O-N 3.14Å
24	Y	41.8	Very low	43.8	Very low	136 Å²	136	116.8 Å²	116.8	53%	0.533	59%	0.594	S	S	.	*	H	α-helix	trans	-63.8	-38.4	-174.7	-102.4	-82.7	0	0	0	114.1	N21 Y27 A28 N500	N21-Y24 PolarHBondContact O-N 3.34Å; Y24-Y27 PolarHBondContact O-N 3.04Å; Y24-A28 WeakPolarHBondContact O-CB 3.19Å; Y24-A28 PolarHBondContact O-N 2.88Å; Y24-N500 PolarHBondContact OH-OD1 3.06Å
25	I	44.3	Very low	46.1	Very low	112 Å²	112	114.7 Å²	114.7	57%	0.574	59%	0.587	S	S	*	*	H	α-helix	trans	-66.1	-41.3	-179.9	-63	170.1	0	0	0	110.9	N21 G23 A28	N21-I25 PolarHBondContact O-N 3.26Å; G23-I25 PolarHBondContact O-N 3.33Å; I25-A28 PolarHBondContact O-N 3.32Å
26	Y	44.9	Very low	48.2	Very low	194 Å²	194	112.9 Å²	112.9	76%	0.761	57%	0.572	S	S	*	*	H	α-helix	trans	-71.7	-33.8	178.8	-116.6	-86.5	0	0	0	113	G23	G23-Y26 PolarHBondContact O-N 3.21Å
27	Y	47	Very low	50.4	Low	91 Å²	91	113 Å²	113	36%	0.357	57%	0.567	S	S	.	*	H	α-helix	trans	-68.9	-41.6	173.4	-74.5	-65.9	0	0	0	111.4	G23 Y24 D29 L30 Y31 F492	G23-Y27 WeakPolarHBondContact O-CD2 3.5Å; G23-Y27 PolarHBondContact O-N 3.15Å; G23-Y27 VanDerWaalsContact O-N 3.14Å; Y24-Y27 PolarHBondContact O-N 3.04Å; Y27-D29 VanDerWaalsContact C-N 3.29Å; Y27-D29 PolarHBondContact O-N 2.82Å; Y27-L30 PolarHBondContact O-N 3.01Å; Y27-L30 VanDerWaalsContact O-N 3.09Å; Y27-Y31 WeakPolarHBondContact O-CD2 3.39Å; Y27-Y31 PolarHBondContact O-N 3.15Å; Y27-F492 HydrophobicContact CE1-CD2 4.19Å; Y27-F492 AromaticContact CE1-CE2 3.89Å; Y27-F492 HydrophobicContact CE1-CE2 3.89Å
28	A	48.3	Very low	52.6	Low	55 Å²	55	111.9 Å²	111.9	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-57.3	-38.8	-177.6	0	0	0	0	0	113.2	Y24 I25 Y31 S32	Y24-A28 WeakPolarHBondContact O-CB 3.19Å; Y24-A28 PolarHBondContact O-N 2.88Å; I25-A28 PolarHBondContact O-N 3.32Å; A28-Y31 CarbonylContact O-C 3.57Å; A28-Y31 PolarHBondContact O-N 2.9Å; A28-S32 WeakPolarHBondContact O-CB 3.3Å; A28-S32 PolarHBondContact O-N 3.19Å
29	D	50.9	Low	55.1	Low	115 Å²	115	107.1 Å²	107.1	62%	0.615	54%	0.544	S	S	*	.	H	α-helix	trans	-73.4	-31.1	177.3	-82.1	-18.7	0	0	0	113.6	Y27 Y31 S32	Y27-D29 VanDerWaalsContact C-N 3.29Å; Y27-D29 PolarHBondContact O-N 2.82Å; D29-Y31 VanDerWaalsContact C-N 3.32Å; D29-S32 PolarHBondContact O-N 3.04Å; D29-S32 PolarHBondContact O-OG 3.34Å
30	L	50.4	Low	57.3	Low	86 Å²	86	102.9 Å²	102.9	45%	0.45	52%	0.522	S	S	.	.	H	α-helix	trans	-67.4	-37.5	172.4	-121.7	125.9	0	0	0	111	Y27 S33 L38 I42	Y27-L30 PolarHBondContact O-N 3.01Å; Y27-L30 VanDerWaalsContact O-N 3.09Å; L30-S33 PolarHBondContact O-OG 3.06Å; L30-L38 HydrophobicContact CD2-CD2 4.3Å; L30-I42 HydrophobicContact CD2-CD1 3.65Å
31	Y	49.1	Very low	59.5	Low	128 Å²	128	103.7 Å²	103.7	50%	0.502	52%	0.521	S	S	.	.	H	α-helix	trans	-76.1	-21.6	173.6	-73.9	-72.2	0	0	0	114	Y27 A28 D29 S33 Y496	Y27-Y31 WeakPolarHBondContact O-CD2 3.39Å; Y27-Y31 PolarHBondContact O-N 3.15Å; A28-Y31 CarbonylContact O-C 3.57Å; A28-Y31 PolarHBondContact O-N 2.9Å; D29-Y31 VanDerWaalsContact C-N 3.32Å; Y31-S33 PolarHBondContact O-N 3.44Å; Y31-Y496 HydrophobicContact CE1-CD2 4.27Å; Y31-Y496 AromaticContact CE1-CE2 3.67Å; Y31-Y496 HydrophobicContact CE1-CE2 3.67Å; Y31-Y496 AromaticContact CZ-CD2 3.87Å; Y31-Y496 AromaticContact CZ-CE2 3.75Å; Y31-Y496 WeakPolarHBondContact OH-CD2 3.47Å; Y31-Y496 VanDerWaalsContact OH-CE2 3.22Å; Y31-Y496 WeakPolarHBondContact OH-CE2 3.29Å
32	S	53.5	Low	61.8	Low	76 Å²	76	100.5 Å²	100.5	53%	0.531	50%	0.503	S	S	.	.	H	α-helix	trans	-74.4	-18.6	179.1	80.6	0	0	0	0	112.6	A28 D29 N34	A28-S32 WeakPolarHBondContact O-CB 3.3Å; A28-S32 PolarHBondContact O-N 3.19Å; D29-S32 PolarHBondContact O-N 3.04Å; D29-S32 PolarHBondContact O-OG 3.34Å; S32-N34 PolarHBondContact O-N 3.48Å; S32-N34 VanDerWaalsContact O-N 3.11Å
33	S	54.6	Low	63.8	Low	53 Å²	53	94.1 Å²	94.1	37%	0.371	48%	0.484	S	S	.	.			trans	-72.6	103.7	171.9	72.9	0	0	0	0	110	L30 Y31 S35 L38	L30-S33 PolarHBondContact O-OG 3.06Å; Y31-S33 PolarHBondContact O-N 3.44Å; S33-S35 PolarHBondContact O-N 2.9Å; S33-L38 WeakPolarHBondContact OG-CD2 3.48Å
34	N	61	Low	66	Low	166 Å²	166	97.6 Å²	97.6	89%	0.888	49%	0.494	S	S	*	.			trans	-63.4	23.5	175.3	-75.3	-35.8	0	0	0	114.2	S32 F36	S32-N34 PolarHBondContact O-N 3.48Å; S32-N34 VanDerWaalsContact O-N 3.11Å; N34-F36 PolarHBondContact O-N 2.77Å
35	S	79.1	Confident	68.1	Low	57 Å²	57	95.4 Å²	95.4	40%	0.399	49%	0.492	S	S	.	.			trans	-81.9	98.4	177.8	-176	0	0	0	0	109.6	S33 I37 L38 E39	S33-S35 PolarHBondContact O-N 2.9Å; S35-I37 PolarHBondContact O-N 2.93Å; S35-L38 WeakPolarHBondContact O-CB 3.28Å; S35-L38 PolarHBondContact O-N 3.19Å; S35-E39 PolarHBondContact O-N 3.2Å
36	F	81.8	Confident	70.2	Confident	145 Å²	145	90.1 Å²	90.1	64%	0.636	47%	0.465	S	S	*	.	H	α-helix	trans	-50	-31.4	171.9	-176	-109.6	0	0	0	112.9	N34 I40	N34-F36 PolarHBondContact O-N 2.77Å; F36-I40 HydrophobicContact CD1-CD1 3.61Å; F36-I40 HydrophobicContact CE1-CD1 3.24Å; F36-I40 HydrophobicContact CE1-CG1 4.26Å; F36-I40 HydrophobicContact CE2-CD1 4.43Å; F36-I40 HydrophobicContact CG-CD1 4.36Å; F36-I40 HydrophobicContact CZ-CD1 3.71Å; F36-I40 HydrophobicContact CZ-CG1 4.34Å; F36-I40 WeakPolarHBondContact O-CG1 3.48Å; F36-I40 PolarHBondContact O-N 3.33Å; F36-I40 VanDerWaalsContact O-N 3.09Å
37	I	84.3	Confident	72.2	Confident	116 Å²	116	85.7 Å²	85.7	60%	0.595	45%	0.453	S	S	*	.	H	α-helix	trans	-64.8	-43.7	175.9	-61.8	174	0	0	0	110.9	S35 I40 L41	S35-I37 PolarHBondContact O-N 2.93Å; I37-I40 PolarHBondContact O-N 3.1Å; I37-L41 HydrophobicContact CG2-CD1 4.02Å; I37-L41 HydrophobicContact CG2-CG 4.46Å; I37-L41 VanDerWaalsContact O-CG 3.28Å; I37-L41 WeakPolarHBondContact O-CG 3.21Å; I37-L41 PolarHBondContact O-N 2.81Å
38	L	82.1	Confident	74	Confident	58 Å²	58	83 Å²	83	30%	0.304	45%	0.452	S	S	.	.	H	α-helix	trans	-65.2	-42.7	179.9	-172.5	68.2	0	0	0	110.8	L30 S33 S35 I40 L41 I42	L30-L38 HydrophobicContact CD2-CD2 4.3Å; S33-L38 WeakPolarHBondContact OG-CD2 3.48Å; S35-L38 WeakPolarHBondContact O-CB 3.28Å; S35-L38 PolarHBondContact O-N 3.19Å; L38-I40 VanDerWaalsContact C-N 3.35Å; L38-I40 PolarHBondContact O-N 2.91Å; L38-L41 PolarHBondContact O-N 3.01Å; L38-I42 HydrophobicContact CD1-CD1 4.37Å; L38-I42 HydrophobicContact CD2-CD1 4.35Å; L38-I42 HydrophobicContact CG-CD1 3.86Å; L38-I42 HydrophobicContact CG-CG1 4.44Å; L38-I42 VanDerWaalsContact O-CG1 3.31Å; L38-I42 WeakPolarHBondContact O-CG1 3.42Å; L38-I42 PolarHBondContact O-N 3.14Å
39	E	82.7	Confident	75.9	Confident	112 Å²	112	80.3 Å²	80.3	52%	0.523	43%	0.431	S	S	.	.	H	α-helix	trans	-61	-42.1	177.6	-168.6	-178.4	177	0	0	112.2	S35 S43	S35-E39 PolarHBondContact O-N 3.2Å; E39-S43 VanDerWaalsContact O-CB 3.3Å; E39-S43 WeakPolarHBondContact O-CB 3.01Å; E39-S43 PolarHBondContact O-N 3.18Å; E39-S43 PolarHBondContact O-OG 2.97Å
40	I	84.6	Confident	77.6	Confident	75 Å²	75	77.5 Å²	77.5	39%	0.385	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-47.2	173.8	-71.8	168.8	0	0	0	110.7	F36 I37 L38 I42 S43 L44	F36-I40 HydrophobicContact CD1-CD1 3.61Å; F36-I40 HydrophobicContact CE1-CD1 3.24Å; F36-I40 HydrophobicContact CE1-CG1 4.26Å; F36-I40 HydrophobicContact CE2-CD1 4.43Å; F36-I40 HydrophobicContact CG-CD1 4.36Å; F36-I40 HydrophobicContact CZ-CD1 3.71Å; F36-I40 HydrophobicContact CZ-CG1 4.34Å; F36-I40 WeakPolarHBondContact O-CG1 3.48Å; F36-I40 PolarHBondContact O-N 3.33Å; F36-I40 VanDerWaalsContact O-N 3.09Å; I37-I40 PolarHBondContact O-N 3.1Å; L38-I40 VanDerWaalsContact C-N 3.35Å; L38-I40 PolarHBondContact O-N 2.91Å; I40-I42 PolarHBondContact O-N 3.4Å; I40-S43 PolarHBondContact O-N 3.4Å; I40-L44 HydrophobicContact CG2-CD1 3.94Å; I40-L44 HydrophobicContact CG2-CG 4.33Å; I40-L44 WeakPolarHBondContact O-CG 3.46Å; I40-L44 PolarHBondContact O-N 3.32Å
41	L	86.7	Confident	79.5	Confident	100 Å²	100	77.3 Å²	77.3	52%	0.524	42%	0.418	S	S	.	.	H	α-helix	trans	-62.3	-43.3	-178.3	-72.8	172.6	0	0	0	111.8	I37 L38 L44 L45	I37-L41 HydrophobicContact CG2-CD1 4.02Å; I37-L41 HydrophobicContact CG2-CG 4.46Å; I37-L41 VanDerWaalsContact O-CG 3.28Å; I37-L41 WeakPolarHBondContact O-CG 3.21Å; I37-L41 PolarHBondContact O-N 2.81Å; L38-L41 PolarHBondContact O-N 3.01Å; L41-L44 PolarHBondContact O-N 3.47Å; L41-L45 WeakPolarHBondContact O-CB 3.37Å; L41-L45 PolarHBondContact O-N 3.15Å
42	I	86	Confident	81.5	Confident	27 Å²	27	72.5 Å²	72.5	14%	0.138	40%	0.402	C	S	.	.	H	α-helix	trans	-63.7	-46.3	175.6	-66.4	168.3	0	0	0	110.1	L30 L38 I40 L44 L45 C46 F492 Y496	L30-I42 HydrophobicContact CD2-CD1 3.65Å; L38-I42 HydrophobicContact CD1-CD1 4.37Å; L38-I42 HydrophobicContact CD2-CD1 4.35Å; L38-I42 HydrophobicContact CG-CD1 3.86Å; L38-I42 HydrophobicContact CG-CG1 4.44Å; L38-I42 VanDerWaalsContact O-CG1 3.31Å; L38-I42 WeakPolarHBondContact O-CG1 3.42Å; L38-I42 PolarHBondContact O-N 3.14Å; I40-I42 PolarHBondContact O-N 3.4Å; I42-L44 VanDerWaalsContact C-N 3.32Å; I42-L44 PolarHBondContact O-N 3.21Å; I42-L45 WeakPolarHBondContact O-CB 3.44Å; I42-L45 PolarHBondContact O-N 3.23Å; I42-L45 VanDerWaalsContact O-N 3.13Å; I42-C46 WeakPolarHBondContact O-CB 3.37Å; I42-C46 PolarHBondContact O-N 3.22Å; I42-C46 PolarHBondContact O-SG 3.31Å; I42-F492 HydrophobicContact CG2-CE1 4.13Å; I42-F492 HydrophobicContact CG2-CZ 4.19Å; I42-Y496 HydrophobicContact CB-CE2 4.39Å; I42-Y496 HydrophobicContact CG2-CD2 3.66Å; I42-Y496 HydrophobicContact CG2-CE1 4.29Å; I42-Y496 HydrophobicContact CG2-CE2 3.39Å; I42-Y496 HydrophobicContact CG2-CG 4.24Å
43	S	85.8	Confident	83.3	Confident	40 Å²	40	69.1 Å²	69.1	28%	0.28	38%	0.378	S	S	.	.	H	α-helix	trans	-59.9	-41.3	178.4	-60.6	0	0	0	0	112.3	E39 I40 C46 I47 Y496	E39-S43 VanDerWaalsContact O-CB 3.3Å; E39-S43 WeakPolarHBondContact O-CB 3.01Å; E39-S43 PolarHBondContact O-N 3.18Å; E39-S43 PolarHBondContact O-OG 2.97Å; I40-S43 PolarHBondContact O-N 3.4Å; S43-C46 PolarHBondContact O-N 3.22Å; S43-I47 VanDerWaalsContact O-CG1 3.3Å; S43-I47 WeakPolarHBondContact O-CG1 3.43Å; S43-I47 PolarHBondContact O-N 3.32Å; S43-Y496 PolarHBondContact OG-OH 2.95Å
44	L	87.7	Confident	85.1	Confident	107 Å²	107	70.3 Å²	70.3	56%	0.56	39%	0.386	S	S	*	.	H	α-helix	trans	-64.6	-41.6	174.6	-72.5	173.8	0	0	0	112.2	I40 L41 I42 C46 I47 G48	I40-L44 HydrophobicContact CG2-CD1 3.94Å; I40-L44 HydrophobicContact CG2-CG 4.33Å; I40-L44 WeakPolarHBondContact O-CG 3.46Å; I40-L44 PolarHBondContact O-N 3.32Å; L41-L44 PolarHBondContact O-N 3.47Å; I42-L44 VanDerWaalsContact C-N 3.32Å; I42-L44 PolarHBondContact O-N 3.21Å; L44-C46 VanDerWaalsContact C-N 3.32Å; L44-C46 PolarHBondContact O-N 3.06Å; L44-I47 PolarHBondContact O-N 2.98Å; L44-G48 PolarHBondContact O-N 2.98Å
45	L	86.5	Confident	86.5	Confident	91 Å²	91	65.8 Å²	65.8	48%	0.476	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-40.1	175.6	-178.1	139.2	0	0	0	111.3	L41 I42 G48 G49 L489 F492	L41-L45 WeakPolarHBondContact O-CB 3.37Å; L41-L45 PolarHBondContact O-N 3.15Å; I42-L45 WeakPolarHBondContact O-CB 3.44Å; I42-L45 PolarHBondContact O-N 3.23Å; I42-L45 VanDerWaalsContact O-N 3.13Å; L45-G48 CarbonylContact O-C 3.43Å; L45-G48 PolarHBondContact O-N 3.37Å; L45-G49 PolarHBondContact O-N 3.14Å; L45-L489 HydrophobicContact CD2-CD1 3.7Å; L45-L489 HydrophobicContact CG-CD1 4.17Å; L45-F492 HydrophobicContact CD2-CD1 3.92Å; L45-F492 HydrophobicContact CD2-CE1 3.83Å
46	C	87.1	Confident	87.1	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.007	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-46.5	174.7	-71.4	0	0	0	0	112	I42 S43 L44 G48 G49 I50 T493 Y496 I497	I42-C46 WeakPolarHBondContact O-CB 3.37Å; I42-C46 PolarHBondContact O-N 3.22Å; I42-C46 PolarHBondContact O-SG 3.31Å; S43-C46 PolarHBondContact O-N 3.22Å; L44-C46 VanDerWaalsContact C-N 3.32Å; L44-C46 PolarHBondContact O-N 3.06Å; C46-G48 VanDerWaalsContact C-N 3.28Å; C46-G48 PolarHBondContact O-N 2.83Å; C46-G49 PolarHBondContact O-N 3.03Å; C46-I50 PolarHBondContact O-N 3.19Å; C46-T493 HydrophobicContact CB-CG2 3.81Å; C46-T493 WeakPolarHBondContact O-CG2 3.46Å; C46-Y496 HydrophobicContact CB-CD1 4.19Å; C46-Y496 VanDerWaalsContact SG-CD1 3.59Å; C46-I497 HydrophobicContact CB-CD1 4.3Å; C46-I497 HydrophobicContact CB-CG1 4.41Å
47	I	86.8	Confident	87.7	Confident	100 Å²	100	58.6 Å²	58.6	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-58.9	-43.5	174	-67.3	164	0	0	0	110.4	S43 L44 G49 T51	S43-I47 VanDerWaalsContact O-CG1 3.3Å; S43-I47 WeakPolarHBondContact O-CG1 3.43Å; S43-I47 PolarHBondContact O-N 3.32Å; L44-I47 PolarHBondContact O-N 2.98Å; I47-G49 VanDerWaalsContact C-N 3.31Å; I47-G49 PolarHBondContact O-N 3.12Å; I47-T51 WeakPolarHBondContact O-CB 3.24Å; I47-T51 VanDerWaalsContact O-CG2 3.25Å; I47-T51 WeakPolarHBondContact O-CG2 3.31Å; I47-T51 PolarHBondContact O-N 2.76Å; I47-T51 VanDerWaalsContact O-N 3.1Å; I47-T51 PolarHBondContact O-OG1 3.1Å
48	G	84.7	Confident	88.1	Confident	34 Å²	34	55.5 Å²	55.5	35%	0.351	31%	0.311	S	S	.	.	H	α-helix	trans	-59.4	-39.6	173.1	0	0	0	0	0	112.9	L44 L45 C46 T51 S52	L44-G48 PolarHBondContact O-N 2.98Å; L45-G48 CarbonylContact O-C 3.43Å; L45-G48 PolarHBondContact O-N 3.37Å; C46-G48 VanDerWaalsContact C-N 3.28Å; C46-G48 PolarHBondContact O-N 2.83Å; G48-T51 WeakPolarHBondContact CA-OG1 3.31Å; G48-T51 PolarHBondContact O-OG1 2.86Å; G48-S52 WeakPolarHBondContact O-CB 3.44Å; G48-S52 PolarHBondContact O-N 3Å
49	G	88.5	Confident	88.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-49.8	179.6	0	0	0	0	0	113.8	L45 C46 I47 S52 N53	L45-G49 PolarHBondContact O-N 3.14Å; C46-G49 PolarHBondContact O-N 3.03Å; I47-G49 VanDerWaalsContact C-N 3.31Å; I47-G49 PolarHBondContact O-N 3.12Å; G49-S52 PolarHBondContact O-N 3.47Å; G49-N53 WeakPolarHBondContact O-CB 3.17Å; G49-N53 PolarHBondContact O-N 3.4Å; G49-N53 PolarHBondContact O-ND2 3.06Å
50	I	87.9	Confident	89.2	Confident	56 Å²	56	49.9 Å²	49.9	29%	0.287	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-46	176	-85.9	151.4	0	0	0	110.7	C46 S52 N53 C54 T493 I497	C46-I50 PolarHBondContact O-N 3.19Å; I50-S52 PolarHBondContact O-N 3.45Å; I50-N53 PolarHBondContact O-N 3.39Å; I50-C54 PolarHBondContact O-N 3.49Å; I50-C54 PolarHBondContact O-SG 2.83Å; I50-C54 VanDerWaalsContact O-SG 3.41Å; I50-T493 HydrophobicContact CB-CG2 4.19Å; I50-T493 HydrophobicContact CD1-CG2 3.32Å; I50-T493 HydrophobicContact CG1-CG2 3.39Å; I50-I497 HydrophobicContact CD1-CD1 3.39Å
51	T	88.3	Confident	89.7	Confident	82 Å²	82	50 Å²	50	50%	0.503	28%	0.283	S	S	.	.	H	α-helix	trans	-62.9	-43	-178.5	52	0	0	0	0	111.5	I47 G48 N53 L55	I47-T51 WeakPolarHBondContact O-CB 3.24Å; I47-T51 VanDerWaalsContact O-CG2 3.25Å; I47-T51 WeakPolarHBondContact O-CG2 3.31Å; I47-T51 PolarHBondContact O-N 2.76Å; I47-T51 VanDerWaalsContact O-N 3.1Å; I47-T51 PolarHBondContact O-OG1 3.1Å; G48-T51 WeakPolarHBondContact CA-OG1 3.31Å; G48-T51 PolarHBondContact O-OG1 2.86Å; T51-N53 PolarHBondContact O-N 3.47Å; T51-L55 WeakPolarHBondContact O-CB 3.29Å; T51-L55 PolarHBondContact O-N 3.44Å
52	S	91.1	Very high	90	Very high	26 Å²	26	45.3 Å²	45.3	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-45.8	173	-178.6	0	0	0	0	112.3	G48 G49 I50 L55 S56 N486	G48-S52 WeakPolarHBondContact O-CB 3.44Å; G48-S52 PolarHBondContact O-N 3Å; G49-S52 PolarHBondContact O-N 3.47Å; I50-S52 PolarHBondContact O-N 3.45Å; S52-L55 PolarHBondContact O-N 2.92Å; S52-S56 WeakPolarHBondContact O-CB 3.23Å; S52-S56 PolarHBondContact O-N 2.51Å; S52-S56 PolarHBondContact O-OG 3.43Å; S52-N486 PolarHBondContact OG-OD1 3.05Å
53	N	92.6	Very high	90.4	Very high	5 Å²	5	44 Å²	44	3%	0.027	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-48.7	179.2	-83.5	-67.3	0	0	0	113	G49 I50 T51 L55 S56 F57 N486 G490 Y511	G49-N53 WeakPolarHBondContact O-CB 3.17Å; G49-N53 PolarHBondContact O-N 3.4Å; G49-N53 PolarHBondContact O-ND2 3.06Å; I50-N53 PolarHBondContact O-N 3.39Å; T51-N53 PolarHBondContact O-N 3.47Å; N53-L55 VanDerWaalsContact C-N 3.34Å; N53-L55 PolarHBondContact O-N 2.67Å; N53-S56 PolarHBondContact O-N 2.65Å; N53-F57 WeakPolarHBondContact O-CD2 3.05Å; N53-F57 PolarHBondContact O-N 3.46Å; N53-F57 VanDerWaalsContact O-N 3.17Å; N53-N486 PolarHBondContact ND2-O 2.77Å; N53-N486 VanDerWaalsContact ND2-O 3.12Å; N53-N486 PolarHBondContact OD1-ND2 2.68Å; N53-N486 VanDerWaalsContact OD1-ND2 3.08Å; N53-N486 PolarHBondContact OD1-O 2.81Å; N53-G490 WeakPolarHBondContact ND2-CA 3.43Å; N53-G490 PolarHBondContact ND2-N 2.94Å; N53-Y511 HydrophobicContact CB-CE2 4.23Å; N53-Y511 WeakPolarHBondContact OD1-CE2 2.96Å; N53-Y511 PolarHBondContact OD1-OH 3.35Å
54	C	91.1	Very high	90.9	Very high	78 Å²	78	43 Å²	43	53%	0.527	24%	0.243	S	C	.	.	H	α-helix	trans	-60.4	-45.4	175.9	-68.1	0	0	0	0	111.4	I50 F57 V58	I50-C54 PolarHBondContact O-N 3.49Å; I50-C54 PolarHBondContact O-SG 2.83Å; I50-C54 VanDerWaalsContact O-SG 3.41Å; C54-F57 PolarHBondContact O-N 2.97Å; C54-V58 VanDerWaalsContact O-CG2 3.32Å; C54-V58 WeakPolarHBondContact O-CG2 3.12Å; C54-V58 PolarHBondContact O-N 3.47Å
55	L	90.8	Very high	91.1	Very high	71 Å²	71	39.3 Å²	39.3	37%	0.372	22%	0.224	S	C	.	.	H	α-helix	trans	-63.7	-43.4	-178.9	-172.3	63.1	0	0	0	112	T51 S52 N53 F57 V58 F59 F120	T51-L55 WeakPolarHBondContact O-CB 3.29Å; T51-L55 PolarHBondContact O-N 3.44Å; S52-L55 PolarHBondContact O-N 2.92Å; N53-L55 VanDerWaalsContact C-N 3.34Å; N53-L55 PolarHBondContact O-N 2.67Å; L55-F57 PolarHBondContact O-N 2.78Å; L55-V58 PolarHBondContact O-N 3.43Å; L55-F59 HydrophobicContact CD1-CD1 4.19Å; L55-F59 HydrophobicContact CD1-CD2 4.45Å; L55-F59 HydrophobicContact CD1-CE1 3.57Å; L55-F59 HydrophobicContact CD1-CE2 3.88Å; L55-F59 HydrophobicContact CD1-CZ 3.4Å; L55-F59 VanDerWaalsContact CD1-CZ 3.4Å; L55-F59 HydrophobicContact CD2-CE2 3.78Å; L55-F59 HydrophobicContact CD2-CZ 3.91Å; L55-F59 HydrophobicContact CG-CD2 4.01Å; L55-F59 HydrophobicContact CG-CE1 4.16Å; L55-F59 HydrophobicContact CG-CE2 3.52Å; L55-F59 HydrophobicContact CG-CZ 3.62Å; L55-F59 WeakPolarHBondContact O-CB 3.29Å; L55-F59 WeakPolarHBondContact O-CG 3.48Å; L55-F59 PolarHBondContact O-N 3.43Å; L55-F120 HydrophobicContact CD1-CE1 3.72Å; L55-F120 HydrophobicContact CD1-CZ 3.74Å
56	S	92.7	Very high	91.4	Very high	14 Å²	14	36.3 Å²	36.3	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-41.7	177.9	-74.5	0	0	0	0	112.2	S52 N53 F59 H60 N486	S52-S56 WeakPolarHBondContact O-CB 3.23Å; S52-S56 PolarHBondContact O-N 2.51Å; S52-S56 PolarHBondContact O-OG 3.43Å; N53-S56 PolarHBondContact O-N 2.65Å; S56-F59 PolarHBondContact O-N 3.05Å; S56-H60 WeakPolarHBondContact O-CB 3.48Å; S56-H60 PolarHBondContact O-N 2.88Å; S56-N486 PolarHBondContact OG-ND2 3Å
57	F	94.2	Very high	91.7	Very high	37 Å²	37	36.4 Å²	36.4	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-42	173.8	-79.5	-57.4	0	0	0	112.8	N53 C54 L55 F59 H60 I61 Y511 L514 W515 L518	N53-F57 WeakPolarHBondContact O-CD2 3.05Å; N53-F57 PolarHBondContact O-N 3.46Å; N53-F57 VanDerWaalsContact O-N 3.17Å; C54-F57 PolarHBondContact O-N 2.97Å; L55-F57 PolarHBondContact O-N 2.78Å; F57-F59 VanDerWaalsContact C-N 3.33Å; F57-F59 PolarHBondContact O-N 3.49Å; F57-H60 WeakPolarHBondContact O-CB 3.43Å; F57-H60 PolarHBondContact O-N 3.2Å; F57-I61 WeakPolarHBondContact O-CG1 3.35Å; F57-I61 PolarHBondContact O-N 2.81Å; F57-Y511 HydrophobicContact CD2-CE2 4.09Å; F57-Y511 AromaticContact CE2-CD2 3.6Å; F57-Y511 HydrophobicContact CE2-CD2 3.6Å; F57-Y511 AromaticContact CE2-CE2 3.1Å; F57-Y511 HydrophobicContact CE2-CE2 3.1Å; F57-Y511 AromaticContact CE2-CZ 3.76Å; F57-Y511 HydrophobicContact CZ-CD1 4.48Å; F57-Y511 AromaticContact CZ-CD2 3.68Å; F57-Y511 HydrophobicContact CZ-CD2 3.68Å; F57-Y511 HydrophobicContact CZ-CE1 4.26Å; F57-Y511 AromaticContact CZ-CE2 3.39Å; F57-Y511 HydrophobicContact CZ-CE2 3.39Å; F57-Y511 HydrophobicContact CZ-CG 4.22Å; F57-Y511 AromaticContact CZ-CZ 3.72Å; F57-L514 HydrophobicContact CD1-CD2 4.25Å; F57-L514 HydrophobicContact CE1-CB 4.36Å; F57-L514 HydrophobicContact CE1-CD2 3.61Å; F57-L514 HydrophobicContact CE1-CG 3.76Å; F57-L514 HydrophobicContact CE2-CD2 4.28Å; F57-L514 HydrophobicContact CZ-CB 4.41Å; F57-L514 HydrophobicContact CZ-CD2 3.63Å; F57-L514 HydrophobicContact CZ-CG 4.11Å; F57-W515 HydrophobicContact CE1-CE3 4.28Å; F57-L518 HydrophobicContact CD1-CD1 3.64Å; F57-L518 HydrophobicContact CE1-CD1 3.87Å
58	V	92.7	Very high	91.8	Very high	51 Å²	51	37.4 Å²	37.4	31%	0.309	21%	0.208	S	C	.	.	H	α-helix	trans	-59.3	-46.1	175.8	169.9	0	0	0	0	110.5	C54 L55 H60 I61 C62 L116 F120	C54-V58 VanDerWaalsContact O-CG2 3.32Å; C54-V58 WeakPolarHBondContact O-CG2 3.12Å; C54-V58 PolarHBondContact O-N 3.47Å; L55-V58 PolarHBondContact O-N 3.43Å; V58-H60 PolarHBondContact O-N 2.77Å; V58-I61 PolarHBondContact O-N 3.44Å; V58-C62 WeakPolarHBondContact O-CB 3.41Å; V58-C62 PolarHBondContact O-N 3.37Å; V58-C62 PolarHBondContact O-SG 3.48Å; V58-L116 HydrophobicContact CG1-CD2 4.32Å; V58-F120 HydrophobicContact CG1-CE2 3.97Å; V58-F120 HydrophobicContact CG1-CZ 4.12Å
59	F	93.2	Very high	92	Very high	52 Å²	52	39.3 Å²	39.3	23%	0.228	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-40.6	176.4	-71.3	-14.4	0	0	0	112.6	L55 S56 F57 I61 C62 A63 F120 T386 L390	L55-F59 HydrophobicContact CD1-CD1 4.19Å; L55-F59 HydrophobicContact CD1-CD2 4.45Å; L55-F59 HydrophobicContact CD1-CE1 3.57Å; L55-F59 HydrophobicContact CD1-CE2 3.88Å; L55-F59 HydrophobicContact CD1-CZ 3.4Å; L55-F59 VanDerWaalsContact CD1-CZ 3.4Å; L55-F59 HydrophobicContact CD2-CE2 3.78Å; L55-F59 HydrophobicContact CD2-CZ 3.91Å; L55-F59 HydrophobicContact CG-CD2 4.01Å; L55-F59 HydrophobicContact CG-CE1 4.16Å; L55-F59 HydrophobicContact CG-CE2 3.52Å; L55-F59 HydrophobicContact CG-CZ 3.62Å; L55-F59 WeakPolarHBondContact O-CB 3.29Å; L55-F59 WeakPolarHBondContact O-CG 3.48Å; L55-F59 PolarHBondContact O-N 3.43Å; S56-F59 PolarHBondContact O-N 3.05Å; F57-F59 VanDerWaalsContact C-N 3.33Å; F57-F59 PolarHBondContact O-N 3.49Å; F59-I61 PolarHBondContact O-N 3.46Å; F59-C62 WeakPolarHBondContact O-CB 3.3Å; F59-C62 PolarHBondContact O-N 2.98Å; F59-A63 WeakPolarHBondContact O-CB 3.31Å; F59-A63 PolarHBondContact O-N 2.88Å; F59-F120 HydrophobicContact CE1-CD1 4.48Å; F59-F120 AromaticContact CE1-CE1 3.9Å; F59-F120 HydrophobicContact CE1-CE1 3.9Å; F59-F120 HydrophobicContact CE1-CE2 4.31Å; F59-F120 AromaticContact CE1-CZ 3.81Å; F59-F120 HydrophobicContact CE1-CZ 3.81Å; F59-F120 HydrophobicContact CZ-CE1 4.35Å; F59-T386 HydrophobicContact CB-CG2 3.86Å; F59-T386 HydrophobicContact CD1-CG2 3.91Å; F59-T386 HydrophobicContact CD2-CG2 4.28Å; F59-T386 HydrophobicContact CG-CG2 3.77Å; F59-T386 PolarHBondContact O-OG1 3.47Å; F59-L390 HydrophobicContact CE1-CD1 4.03Å; F59-L390 HydrophobicContact CZ-CD1 4.13Å
60	H	95.2	Very high	92	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-48.1	175.7	-151.9	153.8	0	0	0	111.5	S56 F57 V58 C62 A63 I64 K382 L518 D519	S56-H60 WeakPolarHBondContact O-CB 3.48Å; S56-H60 PolarHBondContact O-N 2.88Å; F57-H60 WeakPolarHBondContact O-CB 3.43Å; F57-H60 PolarHBondContact O-N 3.2Å; V58-H60 PolarHBondContact O-N 2.77Å; H60-C62 PolarHBondContact O-N 3.33Å; H60-A63 PolarHBondContact O-N 3.2Å; H60-I64 WeakPolarHBondContact O-CG1 3.5Å; H60-I64 PolarHBondContact O-N 2.94Å; H60-I64 VanDerWaalsContact O-N 3.1Å; H60-K382 HydrophobicContact CB-CD 4.18Å; H60-K382 PolarHBondContact CE1-NZ 3.28Å; H60-K382 VanDerWaalsContact CE1-NZ 3.31Å; H60-L518 HydrophobicContact CB-CD1 4.42Å; H60-L518 VanDerWaalsContact CE1-CB 3.41Å; H60-L518 WeakPolarHBondContact CE1-CB 3.4Å; H60-D519 IonicContact CE1-OD1 3.74Å; H60-D519 PolarHBondContact CE1-OD1 3.36Å; H60-D519 PolarHBondContact NE2-N 2.86Å; H60-D519 IonicContact NE2-OD1 2.76Å; H60-D519 PolarHBondContact NE2-OD1 2.96Å; H60-D519 VanDerWaalsContact NE2-OD1 3.13Å
61	I	94.6	Very high	92.2	Very high	79 Å²	79	38.1 Å²	38.1	41%	0.405	20%	0.2	S	C	.	.	H	α-helix	trans	-63.8	-41.6	176.8	-65.6	166.1	0	0	0	110.6	F57 V58 F59 A63 I64 L65	F57-I61 WeakPolarHBondContact O-CG1 3.35Å; F57-I61 PolarHBondContact O-N 2.81Å; V58-I61 PolarHBondContact O-N 3.44Å; F59-I61 PolarHBondContact O-N 3.46Å; I61-A63 VanDerWaalsContact C-N 3.34Å; I61-A63 PolarHBondContact O-N 3.07Å; I61-I64 PolarHBondContact O-N 3.02Å; I61-L65 HydrophobicContact CG2-CD1 3.94Å; I61-L65 HydrophobicContact CG2-CG 4.14Å; I61-L65 WeakPolarHBondContact O-CB 3.42Å; I61-L65 VanDerWaalsContact O-CG 3.3Å; I61-L65 WeakPolarHBondContact O-CG 3.4Å; I61-L65 PolarHBondContact O-N 2.72Å
62	C	93	Very high	92.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-44.2	175.6	-69.9	0	0	0	0	111.7	V58 F59 H60 I64 L65 Y66 F389	V58-C62 WeakPolarHBondContact O-CB 3.41Å; V58-C62 PolarHBondContact O-N 3.37Å; V58-C62 PolarHBondContact O-SG 3.48Å; F59-C62 WeakPolarHBondContact O-CB 3.3Å; F59-C62 PolarHBondContact O-N 2.98Å; H60-C62 PolarHBondContact O-N 3.33Å; C62-I64 PolarHBondContact O-N 3.31Å; C62-L65 PolarHBondContact O-N 3.35Å; C62-Y66 WeakPolarHBondContact O-CB 3.45Å; C62-Y66 PolarHBondContact O-N 3.1Å; C62-F389 HydrophobicContact CB-CD1 4Å; C62-F389 HydrophobicContact CB-CE1 4.07Å; C62-F389 HydrophobicContact CB-CG 4.32Å; C62-F389 HydrophobicContact CB-CZ 4.43Å
63	A	94.5	Very high	91.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-45.7	177.8	0	0	0	0	0	111.6	F59 H60 I61 G67 K382 L385	F59-A63 WeakPolarHBondContact O-CB 3.31Å; F59-A63 PolarHBondContact O-N 2.88Å; H60-A63 PolarHBondContact O-N 3.2Å; I61-A63 VanDerWaalsContact C-N 3.34Å; I61-A63 PolarHBondContact O-N 3.07Å; A63-G67 WeakPolarHBondContact O-CA 3.37Å; A63-G67 PolarHBondContact O-N 3.47Å; A63-K382 HydrophobicContact CB-CB 4.48Å; A63-K382 HydrophobicContact CB-CG 4.15Å; A63-L385 HydrophobicContact CB-CB 4.02Å
64	I	95.2	Very high	90.2	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.097	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-55.1	174.8	-69.3	169	0	0	0	109.8	H60 I61 C62 Y66 G67 K68 L518 I521 L522 Q525	H60-I64 WeakPolarHBondContact O-CG1 3.5Å; H60-I64 PolarHBondContact O-N 2.94Å; H60-I64 VanDerWaalsContact O-N 3.1Å; I61-I64 PolarHBondContact O-N 3.02Å; C62-I64 PolarHBondContact O-N 3.31Å; I64-Y66 PolarHBondContact O-N 3.37Å; I64-G67 PolarHBondContact O-N 3.09Å; I64-K68 PolarHBondContact O-N 3.39Å; I64-L518 HydrophobicContact CD1-CB 4.31Å; I64-L518 HydrophobicContact CD1-CD2 3.87Å; I64-I521 HydrophobicContact CD1-CB 4.37Å; I64-I521 HydrophobicContact CD1-CG2 4.1Å; I64-I521 HydrophobicContact CG2-CG2 3.99Å; I64-L522 HydrophobicContact CG1-CB 3.98Å; I64-L522 HydrophobicContact CG1-CD1 3.89Å; I64-L522 HydrophobicContact CG1-CG 4.49Å; I64-Q525 VanDerWaalsContact CA-OE1 3.31Å; I64-Q525 PolarHBondContact O-NE2 3.15Å; I64-Q525 PolarHBondContact O-OE1 3.09Å; I64-Q525 VanDerWaalsContact O-OE1 3.08Å
65	L	93.5	Very high	88.6	Confident	29 Å²	29	39.6 Å²	39.6	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-42.6	-176.5	-68.7	-174.3	0	0	0	112.8	I61 C62 K69 V109 I112 T113	I61-L65 HydrophobicContact CG2-CD1 3.94Å; I61-L65 HydrophobicContact CG2-CG 4.14Å; I61-L65 WeakPolarHBondContact O-CB 3.42Å; I61-L65 VanDerWaalsContact O-CG 3.3Å; I61-L65 WeakPolarHBondContact O-CG 3.4Å; I61-L65 PolarHBondContact O-N 2.72Å; C62-L65 PolarHBondContact O-N 3.35Å; L65-K69 WeakPolarHBondContact O-CB 3.44Å; L65-K69 PolarHBondContact O-N 3.4Å; L65-V109 HydrophobicContact CB-CG1 4.08Å; L65-V109 HydrophobicContact CD2-CG1 4.03Å; L65-V109 HydrophobicContact CD2-CG2 3.8Å; L65-V109 HydrophobicContact CG-CG1 4.48Å; L65-I112 HydrophobicContact CD1-CG2 3.89Å; L65-T113 HydrophobicContact CB-CG2 3.96Å
66	Y	92	Very high	86.7	Confident	29 Å²	29	43.9 Å²	43.9	11%	0.114	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-44.6	177.4	-177.6	-106.2	0	0	0	111.3	C62 I64 K68 K69 H70 L385 S388 F389 L439	C62-Y66 WeakPolarHBondContact O-CB 3.45Å; C62-Y66 PolarHBondContact O-N 3.1Å; I64-Y66 PolarHBondContact O-N 3.37Å; Y66-K68 VanDerWaalsContact C-N 3.3Å; Y66-K68 PolarHBondContact O-N 2.95Å; Y66-K69 CarbonylContact O-C 3.43Å; Y66-K69 WeakPolarHBondContact O-CA 3.46Å; Y66-K69 PolarHBondContact O-N 2.93Å; Y66-H70 HydrophobicContact CD1-CB 4.36Å; Y66-H70 HydrophobicContact CD2-CB 4.5Å; Y66-H70 HydrophobicContact CE1-CB 3.99Å; Y66-H70 HydrophobicContact CE2-CB 4.13Å; Y66-H70 AromaticContact CZ-CG 3.7Å; Y66-H70 AromaticContact CZ-ND1 3.85Å; Y66-H70 VanDerWaalsContact O-CB 3.26Å; Y66-H70 WeakPolarHBondContact O-CB 3.28Å; Y66-H70 PolarHBondContact O-N 2.86Å; Y66-H70 PolarHBondContact OH-ND1 2.79Å; Y66-L385 HydrophobicContact CD1-CB 4.23Å; Y66-L385 HydrophobicContact CD1-CD2 3.94Å; Y66-L385 WeakPolarHBondContact CD1-O 3.44Å; Y66-L385 HydrophobicContact CE1-CD2 4.21Å; Y66-S388 PolarHBondContact OH-OG 3.48Å; Y66-F389 HydrophobicContact CD1-CB 4.41Å; Y66-F389 HydrophobicContact CD2-CB 4.38Å; Y66-F389 HydrophobicContact CD2-CD2 4.08Å; Y66-F389 HydrophobicContact CG-CB 4.11Å; Y66-F389 HydrophobicContact CG-CD2 4.27Å; Y66-L439 HydrophobicContact CE1-CD2 4.37Å
67	G	92.4	Very high	84.7	Confident	2 Å²	2	44.9 Å²	44.9	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-54.1	-44.5	174.5	0	0	0	0	0	112.3	A63 I64 K69 H70 L71	A63-G67 WeakPolarHBondContact O-CA 3.37Å; A63-G67 PolarHBondContact O-N 3.47Å; I64-G67 PolarHBondContact O-N 3.09Å; G67-K69 PolarHBondContact O-N 3.05Å; G67-H70 PolarHBondContact O-N 2.97Å; G67-L71 WeakPolarHBondContact O-CB 3.41Å; G67-L71 PolarHBondContact O-N 3.19Å
68	K	89.8	Confident	82.5	Confident	121 Å²	121	44.2 Å²	44.2	53%	0.526	21%	0.213	S	C	.	.	H	α-helix	trans	-57.9	-40.4	175.8	-143.6	167.6	171	168.7	0	112.4	I64 Y66 Q73 Q525	I64-K68 PolarHBondContact O-N 3.39Å; Y66-K68 VanDerWaalsContact C-N 3.3Å; Y66-K68 PolarHBondContact O-N 2.95Å; K68-Q73 PolarHBondContact O-NE2 3.36Å; K68-Q525 VanDerWaalsContact CG-NE2 3.29Å
69	K	87.9	Confident	80.1	Confident	74 Å²	74	46.5 Å²	46.5	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-86.2	-21.1	-169.8	-172.5	-176.2	176.3	-173.2	0	111.4	L65 Y66 G67 Q73 S110 T113	L65-K69 WeakPolarHBondContact O-CB 3.44Å; L65-K69 PolarHBondContact O-N 3.4Å; Y66-K69 CarbonylContact O-C 3.43Å; Y66-K69 WeakPolarHBondContact O-CA 3.46Å; Y66-K69 PolarHBondContact O-N 2.93Å; G67-K69 PolarHBondContact O-N 3.05Å; K69-Q73 VanDerWaalsContact C-CD 3.43Å; K69-Q73 VanDerWaalsContact CA-NE2 3.29Å; K69-Q73 PolarHBondContact O-NE2 2.91Å; K69-Q73 PolarHBondContact O-OE1 2.89Å; K69-S110 PolarHBondContact NZ-OG 3.08Å; K69-T113 PolarHBondContact NZ-OG1 2.77Å
70	H	89.8	Confident	77.7	Confident	23 Å²	23	46.9 Å²	46.9	11%	0.106	22%	0.221	C	C	.	.	H	α-helix	trans	-113	-50.4	-171.8	-166.3	77.1	0	0	0	111.9	Y66 G67 Q73 L439 S440 H441	Y66-H70 HydrophobicContact CD1-CB 4.36Å; Y66-H70 HydrophobicContact CD2-CB 4.5Å; Y66-H70 HydrophobicContact CE1-CB 3.99Å; Y66-H70 HydrophobicContact CE2-CB 4.13Å; Y66-H70 AromaticContact CZ-CG 3.7Å; Y66-H70 AromaticContact CZ-ND1 3.85Å; Y66-H70 VanDerWaalsContact O-CB 3.26Å; Y66-H70 WeakPolarHBondContact O-CB 3.28Å; Y66-H70 PolarHBondContact O-N 2.86Å; Y66-H70 PolarHBondContact OH-ND1 2.79Å; G67-H70 PolarHBondContact O-N 2.97Å; H70-Q73 PolarHBondContact O-N 2.79Å; H70-L439 PolarHBondContact NE2-O 2.91Å; H70-S440 PolarHBondContact CD2-O 3.21Å; H70-S440 PolarHBondContact NE2-O 2.84Å; H70-H441 AromaticContact CE1-CD2 3.43Å; H70-H441 PolarHBondContact CE1-CD2 3.33Å; H70-H441 VanDerWaalsContact CE1-CD2 3.43Å; H70-H441 AromaticContact CE1-NE2 3.45Å; H70-H441 PolarHBondContact CE1-NE2 3.18Å; H70-H441 AromaticContact ND1-CD2 3.75Å; H70-H441 AromaticContact ND1-NE2 3.92Å; H70-H441 AromaticContact NE2-CD2 3.69Å; H70-H441 WeakPolarHBondContact O-CB 3.4Å; H70-H441 PolarHBondContact O-CD2 2.81Å; H70-H441 VanDerWaalsContact O-CD2 3.23Å
71	L	91.6	Very high	75.1	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.042	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	143.3	-173.9	-64.4	176.1	0	0	0	112.1	G67 Q73 L385 H441 I526	G67-L71 WeakPolarHBondContact O-CB 3.41Å; G67-L71 PolarHBondContact O-N 3.19Å; L71-Q73 PolarHBondContact O-N 3.4Å; L71-L385 HydrophobicContact CD1-CD1 4.43Å; L71-L385 HydrophobicContact CD1-CD2 4.14Å; L71-L385 HydrophobicContact CG-CD2 4.26Å; L71-H441 CarbonylContact C-O 3.59Å; L71-H441 VanDerWaalsContact CA-O 3.26Å; L71-H441 WeakPolarHBondContact CA-O 3.36Å; L71-H441 WeakPolarHBondContact CD2-O 3.34Å; L71-I526 HydrophobicContact CD1-CB 4.34Å; L71-I526 HydrophobicContact CD1-CD1 4.48Å; L71-I526 HydrophobicContact CD1-CG1 3.9Å; L71-I526 HydrophobicContact CD1-CG2 4Å
72	Y	87.8	Confident	72.7	Confident	42 Å²	42	55 Å²	55	17%	0.165	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	12.5	-177.8	-48.9	-71.8	0	0	0	114.9	V74 H441 Q442 P443 I526 P528	Y72-V74 PolarHBondContact O-N 3.02Å; Y72-H441 PolarHBondContact N-O 3.47Å; Y72-Q442 VanDerWaalsContact CD1-OE1 3.3Å; Y72-P443 HydrophobicContact CE1-CG 4.13Å; Y72-P443 WeakPolarHBondContact OH-CG 3.41Å; Y72-I526 WeakPolarHBondContact CE2-O 3.49Å; Y72-I526 PolarHBondContact OH-O 2.96Å; Y72-P528 HydrophobicContact CE1-CB 4.39Å; Y72-P528 WeakPolarHBondContact OH-CG 2.9Å
73	Q	80.6	Confident	70.4	Confident	69 Å²	69	58 Å²	58	32%	0.322	27%	0.273	S	S	.	.			trans	-89.6	90	170.8	-59	-160.7	9.3	0	0	108.2	K68 K69 H70 L71 P75 H441	K68-Q73 PolarHBondContact O-NE2 3.36Å; K69-Q73 VanDerWaalsContact C-CD 3.43Å; K69-Q73 VanDerWaalsContact CA-NE2 3.29Å; K69-Q73 PolarHBondContact O-NE2 2.91Å; K69-Q73 PolarHBondContact O-OE1 2.89Å; H70-Q73 PolarHBondContact O-N 2.79Å; L71-Q73 PolarHBondContact O-N 3.4Å; Q73-P75 VanDerWaalsContact O-CD 3.23Å; Q73-P75 WeakPolarHBondContact O-CD 3.36Å; Q73-P75 VanDerWaalsContact O-N 3.15Å; Q73-H441 WeakPolarHBondContact O-CB 3.47Å; Q73-H441 PolarHBondContact O-CD2 3.48Å; Q73-H441 VanDerWaalsContact O-CD2 3.32Å; Q73-H441 VanDerWaalsContact O-CG 3.23Å
74	V	62.6	Low	67.6	Low	82 Å²	82	61.3 Å²	61.3	50%	0.497	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-61.7	118.2	175.3	-176.2	0	0	0	0	108.2	Y72 Y76	Y72-V74 PolarHBondContact O-N 3.02Å; V74-Y76 PolarHBondContact O-N 3.03Å
75	P	57.1	Low	64.9	Low	29 Å²	29	71.3 Å²	71.3	19%	0.188	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-65.1	129.2	169.7	26.6	-30.4	0	0	0	107.6	Q73 D294 H441	Q73-P75 VanDerWaalsContact O-CD 3.23Å; Q73-P75 WeakPolarHBondContact O-CD 3.36Å; Q73-P75 VanDerWaalsContact O-N 3.15Å; P75-D294 WeakPolarHBondContact CD-OD1 3.43Å; P75-H441 WeakPolarHBondContact CD-ND1 3.37Å
76	Y	50.2	Low	62.3	Low	162 Å²	162	73.3 Å²	73.3	64%	0.635	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-47.4	133.2	164.6	-92.8	-89.5	0	0	0	108.6	V74 I78 L80	V74-Y76 PolarHBondContact O-N 3.03Å; Y76-I78 PolarHBondContact O-N 3.34Å; Y76-I78 VanDerWaalsContact O-N 3.09Å; Y76-L80 HydrophobicContact CD1-CD1 4.37Å
77	P	50.2	Low	60.3	Low	35 Å²	35	77 Å²	77	23%	0.227	37%	0.365	C	S	.	.			trans	-42.5	120.8	177	-32.2	33.1	0	0	0	111.2	Y79 L80 Q81 W188	P77-Y79 PolarHBondContact O-N 3.36Å; P77-L80 HydrophobicContact CB-CD1 4.04Å; P77-L80 HydrophobicContact CB-CG 4.24Å; P77-L80 HydrophobicContact CG-CD1 3.97Å; P77-L80 WeakPolarHBondContact O-CA 3.29Å; P77-L80 VanDerWaalsContact O-CB 3.31Å; P77-L80 WeakPolarHBondContact O-CB 3.3Å; P77-L80 PolarHBondContact O-N 3.47Å; P77-Q81 PolarHBondContact O-N 3Å; P77-W188 HydrophobicContact CB-CH2 3.74Å; P77-W188 HydrophobicContact CB-CZ2 3.73Å; P77-W188 HydrophobicContact CG-CH2 4.31Å; P77-W188 HydrophobicContact CG-CZ2 4.17Å
78	I	48.2	Very low	58.2	Low	23 Å²	23	83.4 Å²	83.4	12%	0.118	40%	0.399	C	S	.	.	H	α-helix	trans	-57.1	-27	-179.2	-71.3	168.6	0	0	0	111.6	Y76 L80 Q81 K82 S297 E300 V301	Y76-I78 PolarHBondContact O-N 3.34Å; Y76-I78 VanDerWaalsContact O-N 3.09Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 3.39Å; I78-Q81 CarbonylContact O-C 3.42Å; I78-Q81 VanDerWaalsContact O-CA 3.3Å; I78-Q81 WeakPolarHBondContact O-CA 3.47Å; I78-Q81 VanDerWaalsContact O-CB 3.29Å; I78-Q81 WeakPolarHBondContact O-CB 3.42Å; I78-Q81 PolarHBondContact O-N 3.11Å; I78-K82 PolarHBondContact O-N 2.78Å; I78-S297 WeakPolarHBondContact CD1-O 3.38Å; I78-E300 HydrophobicContact CD1-CB 4.2Å; I78-V301 HydrophobicContact CD1-CB 4.12Å; I78-V301 HydrophobicContact CD1-CG2 3.4Å; I78-V301 HydrophobicContact CG1-CG2 4.4Å
79	Y	42.7	Very low	56.4	Low	98 Å²	98	82.4 Å²	82.4	38%	0.384	39%	0.392	S	S	.	.	H	α-helix	trans	-67.4	-32.8	176.5	-125.1	-88.3	0	0	0	112.6	P77 Q81 K82 V83 V186	P77-Y79 PolarHBondContact O-N 3.36Å; Y79-Q81 VanDerWaalsContact C-N 3.29Å; Y79-Q81 PolarHBondContact O-N 2.84Å; Y79-K82 PolarHBondContact O-N 3.19Å; Y79-V83 HydrophobicContact CD1-CG2 4.42Å; Y79-V83 WeakPolarHBondContact O-CB 3.31Å; Y79-V83 WeakPolarHBondContact O-CG2 3.48Å; Y79-V83 PolarHBondContact O-N 3.46Å; Y79-V186 HydrophobicContact CD1-CB 4.09Å; Y79-V186 HydrophobicContact CD1-CG1 3.81Å; Y79-V186 HydrophobicContact CD1-CG2 3.92Å; Y79-V186 HydrophobicContact CD2-CG1 3.88Å; Y79-V186 HydrophobicContact CG-CB 4.13Å; Y79-V186 HydrophobicContact CG-CG1 3.36Å; Y79-V186 HydrophobicContact CG-CG2 4.12Å
80	L	42.5	Very low	54.3	Low	61 Å²	61	87.3 Å²	87.3	32%	0.319	41%	0.409	S	S	.	.	H	α-helix	trans	-60.6	-42.4	164.6	-67.9	165.6	0	0	0	109.6	Y76 P77 I78 K82 V83 Y84	Y76-L80 HydrophobicContact CD1-CD1 4.37Å; P77-L80 HydrophobicContact CB-CD1 4.04Å; P77-L80 HydrophobicContact CB-CG 4.24Å; P77-L80 HydrophobicContact CG-CD1 3.97Å; P77-L80 WeakPolarHBondContact O-CA 3.29Å; P77-L80 VanDerWaalsContact O-CB 3.31Å; P77-L80 WeakPolarHBondContact O-CB 3.3Å; P77-L80 PolarHBondContact O-N 3.47Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 3.39Å; L80-K82 PolarHBondContact O-N 2.93Å; L80-V83 PolarHBondContact O-N 2.8Å; L80-Y84 HydrophobicContact CB-CD2 4.22Å; L80-Y84 HydrophobicContact CB-CE2 4.04Å; L80-Y84 HydrophobicContact CD2-CE2 3.95Å; L80-Y84 WeakPolarHBondContact O-CD2 2.9Å; L80-Y84 PolarHBondContact O-N 3.2Å
81	Q	42	Very low	52.6	Low	120 Å²	120	95 Å²	95	56%	0.561	44%	0.437	S	S	*	.	H	α-helix	trans	-65.3	-32.6	176.7	-64.2	-175.5	-1	0	0	114.8	P77 I78 Y79	P77-Q81 PolarHBondContact O-N 3Å; I78-Q81 CarbonylContact O-C 3.42Å; I78-Q81 VanDerWaalsContact O-CA 3.3Å; I78-Q81 WeakPolarHBondContact O-CA 3.47Å; I78-Q81 VanDerWaalsContact O-CB 3.29Å; I78-Q81 WeakPolarHBondContact O-CB 3.42Å; I78-Q81 PolarHBondContact O-N 3.11Å; Y79-Q81 VanDerWaalsContact C-N 3.29Å; Y79-Q81 PolarHBondContact O-N 2.84Å
82	K	42.5	Very low	50.7	Low	130 Å²	130	98.2 Å²	98.2	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-75.1	-35.7	174.7	-82	-176.7	-179.6	171.3	0	112	I78 Y79 L80	I78-K82 PolarHBondContact O-N 2.78Å; Y79-K82 PolarHBondContact O-N 3.19Å; L80-K82 PolarHBondContact O-N 2.93Å
83	V	45	Very low	49.1	Very low	62 Å²	62	99.7 Å²	99.7	38%	0.376	47%	0.469	S	S	.	.	H	α-helix	trans	-68.9	-38.5	174.7	172.3	0	0	0	0	110.9	Y79 L80 R85 F184	Y79-V83 HydrophobicContact CD1-CG2 4.42Å; Y79-V83 WeakPolarHBondContact O-CB 3.31Å; Y79-V83 WeakPolarHBondContact O-CG2 3.48Å; Y79-V83 PolarHBondContact O-N 3.46Å; L80-V83 PolarHBondContact O-N 2.8Å; V83-R85 VanDerWaalsContact C-N 3.27Å; V83-R85 PolarHBondContact O-N 3.33Å; V83-F184 HydrophobicContact CG2-CB 4.48Å
84	Y	37	Very low	47.7	Very low	69 Å²	69	104.6 Å²	104.6	27%	0.271	49%	0.485	S	S	.	.			trans	-83	59.7	175.4	-63.6	-66	0	0	0	113.2	L80 C86 Y89 M182	L80-Y84 HydrophobicContact CB-CD2 4.22Å; L80-Y84 HydrophobicContact CB-CE2 4.04Å; L80-Y84 HydrophobicContact CD2-CE2 3.95Å; L80-Y84 WeakPolarHBondContact O-CD2 2.9Å; L80-Y84 PolarHBondContact O-N 3.2Å; Y84-C86 PolarHBondContact O-N 3.41Å; Y84-Y89 AromaticContact CD1-CD1 3.83Å; Y84-Y89 HydrophobicContact CD1-CD1 3.83Å; Y84-Y89 AromaticContact CD1-CE1 3.63Å; Y84-Y89 HydrophobicContact CD1-CE1 3.63Å; Y84-Y89 HydrophobicContact CD2-CE1 4.18Å; Y84-Y89 HydrophobicContact CE1-CD1 4.46Å; Y84-Y89 AromaticContact CE1-CE1 3.87Å; Y84-Y89 HydrophobicContact CE1-CE1 3.87Å; Y84-Y89 HydrophobicContact CE2-CE1 4.45Å; Y84-Y89 HydrophobicContact CG-CD1 4.02Å; Y84-Y89 AromaticContact CG-CE1 3.82Å; Y84-Y89 HydrophobicContact CG-CE1 3.82Å; Y84-M182 HydrophobicContact CE1-CE 4.38Å; Y84-M182 WeakPolarHBondContact OH-CE 3.14Å; Y84-M182 PolarHBondContact OH-SD 3.26Å
85	R	37.2	Very low	47.1	Very low	230 Å²	230	108.7 Å²	108.7	87%	0.868	49%	0.491	S	S	*	.			trans	-75.8	44.7	163.6	-85.5	-168.7	178.7	-176.2	2.1	112.4	V83	V83-R85 VanDerWaalsContact C-N 3.27Å; V83-R85 PolarHBondContact O-N 3.33Å
86	C	39.7	Very low	47	Very low	71 Å²	71	112.1 Å²	112.1	48%	0.48	51%	0.508	S	S	.	.			trans	-110.9	106.6	172.2	-140.4	0	0	0	0	109.7	Y84 L88 Y89 R90	Y84-C86 PolarHBondContact O-N 3.41Å; C86-L88 VanDerWaalsContact C-N 3.25Å; C86-L88 PolarHBondContact O-N 3.41Å; C86-Y89 PolarHBondContact O-N 2.89Å; C86-Y89 VanDerWaalsContact O-N 3.14Å; C86-R90 PolarHBondContact O-N 3.11Å
87	P	49.1	Very low	46.8	Very low	105 Å²	105	109.6 Å²	109.6	68%	0.682	50%	0.498	S	S	*	.	H	α-helix	trans	-61.8	-30.1	-171.6	20	-29.7	0	0	0	113.6	R91	P87-R91 PolarHBondContact O-N 3.42Å
88	L	49.3	Very low	46.8	Very low	137 Å²	137	112 Å²	112	72%	0.717	51%	0.508	S	S	*	.	H	α-helix	trans	-66.5	-45.6	174.6	-87.3	142.5	0	0	0	112.1	C86 R91 C92	C86-L88 VanDerWaalsContact C-N 3.25Å; C86-L88 PolarHBondContact O-N 3.41Å; L88-R91 WeakPolarHBondContact O-CB 3.2Å; L88-R91 PolarHBondContact O-N 2.81Å; L88-C92 PolarHBondContact O-N 2.86Å; L88-C92 PolarHBondContact O-SG 3.44Å; L88-C92 VanDerWaalsContact O-SG 3.4Å
89	Y	51.1	Low	47.1	Very low	100 Å²	100	116.7 Å²	116.7	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-66.8	-39.3	-179.5	-175.4	-107.3	0	0	0	112.6	Y84 C86 R91 C92 I93	Y84-Y89 AromaticContact CD1-CD1 3.83Å; Y84-Y89 HydrophobicContact CD1-CD1 3.83Å; Y84-Y89 AromaticContact CD1-CE1 3.63Å; Y84-Y89 HydrophobicContact CD1-CE1 3.63Å; Y84-Y89 HydrophobicContact CD2-CE1 4.18Å; Y84-Y89 HydrophobicContact CE1-CD1 4.46Å; Y84-Y89 AromaticContact CE1-CE1 3.87Å; Y84-Y89 HydrophobicContact CE1-CE1 3.87Å; Y84-Y89 HydrophobicContact CE2-CE1 4.45Å; Y84-Y89 HydrophobicContact CG-CD1 4.02Å; Y84-Y89 AromaticContact CG-CE1 3.82Å; Y84-Y89 HydrophobicContact CG-CE1 3.82Å; C86-Y89 PolarHBondContact O-N 2.89Å; C86-Y89 VanDerWaalsContact O-N 3.14Å; Y89-R91 VanDerWaalsContact C-N 3.26Å; Y89-R91 PolarHBondContact O-N 2.78Å; Y89-C92 PolarHBondContact O-N 3.41Å; Y89-I93 HydrophobicContact CD1-CD1 4.31Å; Y89-I93 HydrophobicContact CE1-CD1 3.44Å; Y89-I93 VanDerWaalsContact CE1-CD1 3.44Å; Y89-I93 HydrophobicContact CE1-CG1 4.12Å; Y89-I93 HydrophobicContact CE2-CD1 3.97Å; Y89-I93 HydrophobicContact CE2-CG1 4.13Å; Y89-I93 PolarHBondContact O-N 3.05Å; Y89-I93 WeakPolarHBondContact OH-CD1 3.02Å
90	R	44.2	Very low	47.4	Very low	177 Å²	177	119.5 Å²	119.5	67%	0.668	55%	0.547	S	S	*	.	H	α-helix	trans	-59.4	-37.2	173.7	-166.6	-179.5	-169.6	-166.4	5.5	112	C86 R94	C86-R90 PolarHBondContact O-N 3.11Å; R90-R94 WeakPolarHBondContact O-CB 3.16Å; R90-R94 PolarHBondContact O-N 3.47Å
91	R	53.6	Low	47.8	Very low	184 Å²	184	120.6 Å²	120.6	69%	0.694	56%	0.559	S	S	*	*	H	α-helix	trans	-71	-42.3	177.4	-134.2	174.9	-170.3	167.9	1.7	110.8	P87 L88 Y89 R95	P87-R91 PolarHBondContact O-N 3.42Å; L88-R91 WeakPolarHBondContact O-CB 3.2Å; L88-R91 PolarHBondContact O-N 2.81Å; Y89-R91 VanDerWaalsContact C-N 3.26Å; Y89-R91 PolarHBondContact O-N 2.78Å; R91-R95 WeakPolarHBondContact O-CB 3.39Å; R91-R95 WeakPolarHBondContact O-CG 3.38Å; R91-R95 PolarHBondContact O-N 3.29Å
92	C	51.2	Low	47.7	Very low	76 Å²	76	118.3 Å²	118.3	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-66.7	-53	178.4	-69.1	0	0	0	0	112.2	L88 Y89 R94 R95 L96	L88-C92 PolarHBondContact O-N 2.86Å; L88-C92 PolarHBondContact O-SG 3.44Å; L88-C92 VanDerWaalsContact O-SG 3.4Å; Y89-C92 PolarHBondContact O-N 3.41Å; C92-R94 PolarHBondContact O-N 2.96Å; C92-R95 CarbonylContact O-C 3.56Å; C92-R95 PolarHBondContact O-N 2.89Å; C92-L96 VanDerWaalsContact O-CB 3.29Å; C92-L96 WeakPolarHBondContact O-CB 3.46Å; C92-L96 PolarHBondContact O-N 3.39Å
93	I	56.1	Low	48.1	Very low	73 Å²	73	122.7 Å²	122.7	37%	0.374	56%	0.56	S	S	.	*	H	α-helix	trans	-62.6	-40.8	178.3	-82.9	-164.9	0	0	0	112.1	Y89 R95 L96 Y97	Y89-I93 HydrophobicContact CD1-CD1 4.31Å; Y89-I93 HydrophobicContact CE1-CD1 3.44Å; Y89-I93 VanDerWaalsContact CE1-CD1 3.44Å; Y89-I93 HydrophobicContact CE1-CG1 4.12Å; Y89-I93 HydrophobicContact CE2-CD1 3.97Å; Y89-I93 HydrophobicContact CE2-CG1 4.13Å; Y89-I93 PolarHBondContact O-N 3.05Å; Y89-I93 WeakPolarHBondContact OH-CD1 3.02Å; I93-R95 VanDerWaalsContact C-N 3.32Å; I93-R95 PolarHBondContact O-N 2.85Å; I93-L96 PolarHBondContact O-N 3.28Å; I93-Y97 WeakPolarHBondContact O-CB 3.06Å; I93-Y97 PolarHBondContact O-N 2.97Å
94	R	50.2	Low	48.8	Very low	172 Å²	172	123.5 Å²	123.5	65%	0.649	57%	0.567	S	S	*	*	H	α-helix	trans	-66.2	-38.5	179.1	-162.5	175.3	-179.3	170.9	0.5	110.9	R90 C92 L98	R90-R94 WeakPolarHBondContact O-CB 3.16Å; R90-R94 PolarHBondContact O-N 3.47Å; C92-R94 PolarHBondContact O-N 2.96Å; R94-L98 HydrophobicContact CG-CD1 4.23Å; R94-L98 VanDerWaalsContact O-CB 3.22Å; R94-L98 WeakPolarHBondContact O-CB 3.42Å; R94-L98 VanDerWaalsContact O-CD1 3.26Å; R94-L98 WeakPolarHBondContact O-CD1 3.29Å; R94-L98 WeakPolarHBondContact O-CG 3.27Å; R94-L98 PolarHBondContact O-N 3.47Å
95	R	50.7	Low	49.7	Very low	169 Å²	169	125.4 Å²	125.4	64%	0.638	58%	0.581	S	S	*	*	H	α-helix	trans	-66.8	-46.2	171.3	-84.1	-177.1	169.6	-178.7	-4.1	111.8	R91 C92 I93 L98 I99	R91-R95 WeakPolarHBondContact O-CB 3.39Å; R91-R95 WeakPolarHBondContact O-CG 3.38Å; R91-R95 PolarHBondContact O-N 3.29Å; C92-R95 CarbonylContact O-C 3.56Å; C92-R95 PolarHBondContact O-N 2.89Å; I93-R95 VanDerWaalsContact C-N 3.32Å; I93-R95 PolarHBondContact O-N 2.85Å; R95-L98 PolarHBondContact O-N 2.86Å; R95-I99 HydrophobicContact CB-CD1 4.31Å; R95-I99 VanDerWaalsContact O-CB 3.3Å; R95-I99 WeakPolarHBondContact O-CB 3.24Å; R95-I99 VanDerWaalsContact O-CD1 3.32Å; R95-I99 WeakPolarHBondContact O-CD1 3.33Å; R95-I99 WeakPolarHBondContact O-CG1 3.43Å; R95-I99 PolarHBondContact O-N 2.82Å
96	L	54.1	Low	50.8	Low	101 Å²	101	116.4 Å²	116.4	53%	0.529	55%	0.553	S	S	.	*	H	α-helix	trans	-59.9	-49.5	179.7	-146.2	82.4	0	0	0	110.2	C92 I93 L98 I99 F100	C92-L96 VanDerWaalsContact O-CB 3.29Å; C92-L96 WeakPolarHBondContact O-CB 3.46Å; C92-L96 PolarHBondContact O-N 3.39Å; I93-L96 PolarHBondContact O-N 3.28Å; L96-L98 PolarHBondContact O-N 2.9Å; L96-I99 PolarHBondContact O-N 2.98Å; L96-I99 VanDerWaalsContact O-N 3.16Å; L96-F100 HydrophobicContact CD1-CD2 4.23Å; L96-F100 HydrophobicContact CD1-CE2 3.8Å; L96-F100 HydrophobicContact CD2-CE2 4.47Å; L96-F100 HydrophobicContact CG-CD2 3.7Å; L96-F100 HydrophobicContact CG-CE2 3.73Å; L96-F100 WeakPolarHBondContact O-CB 3.29Å; L96-F100 VanDerWaalsContact O-CD2 3.26Å; L96-F100 WeakPolarHBondContact O-CD2 3.45Å; L96-F100 PolarHBondContact O-N 2.76Å
97	Y	46.5	Very low	51.9	Low	109 Å²	109	120.6 Å²	120.6	43%	0.427	56%	0.56	S	S	.	*	H	α-helix	trans	-65.1	-36	176.8	-175.3	-97.6	0	0	0	112.8	I93 C101 K102	I93-Y97 WeakPolarHBondContact O-CB 3.06Å; I93-Y97 PolarHBondContact O-N 2.97Å; Y97-C101 HydrophobicContact CD2-CB 4.33Å; Y97-C101 HydrophobicContact CE2-CB 4.12Å; Y97-C101 WeakPolarHBondContact O-CB 3.21Å; Y97-C101 PolarHBondContact O-N 2.86Å; Y97-K102 HydrophobicContact CE1-CD 4.2Å
98	L	50.2	Low	52.8	Low	84 Å²	84	119.6 Å²	119.6	44%	0.44	55%	0.548	S	S	.	.	H	α-helix	trans	-65.9	-39.1	172.2	-76.3	166.7	0	0	0	112	R94 R95 L96 K102	R94-L98 HydrophobicContact CG-CD1 4.23Å; R94-L98 VanDerWaalsContact O-CB 3.22Å; R94-L98 WeakPolarHBondContact O-CB 3.42Å; R94-L98 VanDerWaalsContact O-CD1 3.26Å; R94-L98 WeakPolarHBondContact O-CD1 3.29Å; R94-L98 WeakPolarHBondContact O-CG 3.27Å; R94-L98 PolarHBondContact O-N 3.47Å; R95-L98 PolarHBondContact O-N 2.86Å; L96-L98 PolarHBondContact O-N 2.9Å; L98-K102 HydrophobicContact CD2-CB 4.24Å; L98-K102 HydrophobicContact CD2-CD 4.36Å; L98-K102 CarbonylContact O-C 3.57Å; L98-K102 PolarHBondContact O-N 3.03Å
99	I	53.3	Low	53.8	Low	122 Å²	122	113.9 Å²	113.9	63%	0.626	52%	0.519	S	S	*	.	H	α-helix	trans	-73.1	-45.2	-179.9	-69.9	162.4	0	0	0	111.2	R95 L96	R95-I99 HydrophobicContact CB-CD1 4.31Å; R95-I99 VanDerWaalsContact O-CB 3.3Å; R95-I99 WeakPolarHBondContact O-CB 3.24Å; R95-I99 VanDerWaalsContact O-CD1 3.32Å; R95-I99 WeakPolarHBondContact O-CD1 3.33Å; R95-I99 WeakPolarHBondContact O-CG1 3.43Å; R95-I99 PolarHBondContact O-N 2.82Å; L96-I99 PolarHBondContact O-N 2.98Å; L96-I99 VanDerWaalsContact O-N 3.16Å
100	F	50.9	Low	54.6	Low	157 Å²	157	111.4 Å²	111.4	69%	0.689	52%	0.516	S	S	*	.	H	α-helix	trans	-86.3	-25.8	-172.8	-80.6	-88.1	0	0	0	114	L96	L96-F100 HydrophobicContact CD1-CD2 4.23Å; L96-F100 HydrophobicContact CD1-CE2 3.8Å; L96-F100 HydrophobicContact CD2-CE2 4.47Å; L96-F100 HydrophobicContact CG-CD2 3.7Å; L96-F100 HydrophobicContact CG-CE2 3.73Å; L96-F100 WeakPolarHBondContact O-CB 3.29Å; L96-F100 VanDerWaalsContact O-CD2 3.26Å; L96-F100 WeakPolarHBondContact O-CD2 3.45Å; L96-F100 PolarHBondContact O-N 2.76Å
101	C	49.5	Very low	55.8	Low	85 Å²	85	107.9 Å²	107.9	57%	0.574	51%	0.51	S	S	*	.	H	α-helix	trans	-122.9	-9.7	-175.2	-61.9	0	0	0	0	115.3	Y97	Y97-C101 HydrophobicContact CD2-CB 4.33Å; Y97-C101 HydrophobicContact CE2-CB 4.12Å; Y97-C101 WeakPolarHBondContact O-CB 3.21Å; Y97-C101 PolarHBondContact O-N 2.86Å
102	K	40.8	Very low	56.6	Low	72 Å²	72	102.3 Å²	102.3	31%	0.313	49%	0.493	S	S	.	.			trans	-133.3	77.1	-168.7	-76.5	-168.2	177.3	-178.7	0	113.7	Y97 L98 S106	Y97-K102 HydrophobicContact CE1-CD 4.2Å; L98-K102 HydrophobicContact CD2-CB 4.24Å; L98-K102 HydrophobicContact CD2-CD 4.36Å; L98-K102 CarbonylContact O-C 3.57Å; L98-K102 PolarHBondContact O-N 3.03Å; K102-S106 WeakPolarHBondContact CB-OG 3.35Å; K102-S106 WeakPolarHBondContact CD-OG 3.19Å; K102-S106 VanDerWaalsContact CG-OG 3.32Å; K102-S106 WeakPolarHBondContact CG-OG 3.3Å
103	W	49.6	Very low	57.5	Low	222 Å²	222	98.8 Å²	98.8	84%	0.841	47%	0.469	S	S	*	.			trans	-56.3	163.5	158.4	-114.3	54.4	0	0	0	112.6	L105 S106	W103-L105 PolarHBondContact O-N 2.8Å; W103-S106 PolarHBondContact O-N 2.96Å; W103-S106 PolarHBondContact O-OG 2.92Å
104	P	61	Low	58.1	Low	79 Å²	79	100 Å²	100	51%	0.513	48%	0.476	S	S	.	.	H	α-helix	trans	-57.8	-24.7	-158.3	17.7	-30.6	0	0	0	115.6	S106 Y107 I108	P104-S106 VanDerWaalsContact C-N 3.3Å; P104-S106 PolarHBondContact O-N 2.76Å; P104-Y107 PolarHBondContact O-N 2.75Å; P104-I108 WeakPolarHBondContact O-CG1 3.47Å; P104-I108 PolarHBondContact O-N 3Å; P104-I108 VanDerWaalsContact O-N 3.13Å
105	L	56.4	Low	58.9	Low	109 Å²	109	94.5 Å²	94.5	57%	0.571	46%	0.464	S	S	*	.	H	α-helix	trans	-61.2	-36.2	-178.9	-160.2	69.9	0	0	0	112.8	W103 V109	W103-L105 PolarHBondContact O-N 2.8Å; L105-V109 WeakPolarHBondContact O-CB 3.34Å; L105-V109 WeakPolarHBondContact O-CG2 3.4Å; L105-V109 PolarHBondContact O-N 2.93Å
106	S	59.3	Low	59.8	Low	41 Å²	41	88 Å²	88	29%	0.287	44%	0.442	S	S	.	.	H	α-helix	trans	-74	-31.9	-179.2	70.8	0	0	0	0	113.4	K102 W103 P104 S110	K102-S106 WeakPolarHBondContact CB-OG 3.35Å; K102-S106 WeakPolarHBondContact CD-OG 3.19Å; K102-S106 VanDerWaalsContact CG-OG 3.32Å; K102-S106 WeakPolarHBondContact CG-OG 3.3Å; W103-S106 PolarHBondContact O-N 2.96Å; W103-S106 PolarHBondContact O-OG 2.92Å; P104-S106 VanDerWaalsContact C-N 3.3Å; P104-S106 PolarHBondContact O-N 2.76Å; S106-S110 WeakPolarHBondContact O-CB 3.18Å; S106-S110 PolarHBondContact O-N 2.96Å
107	Y	63.3	Low	60.3	Low	159 Å²	159	85.6 Å²	85.6	62%	0.624	43%	0.428	S	S	*	.	H	α-helix	trans	-68	-45.9	174.7	-178.3	-98.2	0	0	0	110.4	P104 V109 S110 L111	P104-Y107 PolarHBondContact O-N 2.75Å; Y107-V109 PolarHBondContact O-N 3.4Å; Y107-S110 PolarHBondContact O-N 3.31Å; Y107-S110 VanDerWaalsContact O-N 3.15Å; Y107-L111 PolarHBondContact O-N 2.92Å
108	I	68	Low	60.9	Low	84 Å²	84	84 Å²	84	43%	0.431	43%	0.431	S	S	.	.	H	α-helix	trans	-58.2	-48.3	174.7	-66.2	168.3	0	0	0	110.3	P104 S110 L111 I112	P104-I108 WeakPolarHBondContact O-CG1 3.47Å; P104-I108 PolarHBondContact O-N 3Å; P104-I108 VanDerWaalsContact O-N 3.13Å; I108-S110 VanDerWaalsContact C-N 3.31Å; I108-S110 PolarHBondContact O-N 3.47Å; I108-L111 PolarHBondContact O-N 3.08Å; I108-I112 HydrophobicContact CG2-CD1 3.56Å; I108-I112 HydrophobicContact CG2-CG1 4.3Å; I108-I112 WeakPolarHBondContact O-CB 3.33Å; I108-I112 VanDerWaalsContact O-CG1 3.26Å; I108-I112 WeakPolarHBondContact O-CG1 3.3Å; I108-I112 PolarHBondContact O-N 3.16Å
109	V	70.1	Confident	61.7	Low	16 Å²	16	86 Å²	86	10%	0.097	44%	0.442	C	S	.	.	H	α-helix	trans	-61.1	-38.4	176.5	171.5	0	0	0	0	111.9	L65 L105 Y107 T113	L65-V109 HydrophobicContact CB-CG1 4.08Å; L65-V109 HydrophobicContact CD2-CG1 4.03Å; L65-V109 HydrophobicContact CD2-CG2 3.8Å; L65-V109 HydrophobicContact CG-CG1 4.48Å; L105-V109 WeakPolarHBondContact O-CB 3.34Å; L105-V109 WeakPolarHBondContact O-CG2 3.4Å; L105-V109 PolarHBondContact O-N 2.93Å; Y107-V109 PolarHBondContact O-N 3.4Å; V109-T113 HydrophobicContact CG1-CG2 4.27Å; V109-T113 WeakPolarHBondContact O-CB 3.33Å; V109-T113 WeakPolarHBondContact O-CG2 3.47Å; V109-T113 PolarHBondContact O-N 2.87Å; V109-T113 PolarHBondContact O-OG1 3.46Å
110	S	67.1	Low	61.9	Low	48 Å²	48	83.9 Å²	83.9	34%	0.336	43%	0.428	S	S	.	.	H	α-helix	trans	-66.6	-39.4	176.2	-168.8	0	0	0	0	112.5	K69 S106 Y107 I108 T113 L114	K69-S110 PolarHBondContact NZ-OG 3.08Å; S106-S110 WeakPolarHBondContact O-CB 3.18Å; S106-S110 PolarHBondContact O-N 2.96Å; Y107-S110 PolarHBondContact O-N 3.31Å; Y107-S110 VanDerWaalsContact O-N 3.15Å; I108-S110 VanDerWaalsContact C-N 3.31Å; I108-S110 PolarHBondContact O-N 3.47Å; S110-T113 WeakPolarHBondContact CA-OG1 3.48Å; S110-T113 PolarHBondContact O-OG1 2.96Å; S110-T113 VanDerWaalsContact O-OG1 3.09Å; S110-L114 VanDerWaalsContact O-CB 3.3Å; S110-L114 WeakPolarHBondContact O-CB 3.42Å; S110-L114 PolarHBondContact O-N 2.89Å
111	L	69.3	Low	62.1	Low	103 Å²	103	78.8 Å²	78.8	54%	0.539	41%	0.411	S	S	.	.	H	α-helix	trans	-68.2	-43.9	178.4	-159.9	78.2	0	0	0	110.7	Y107 I108 L114 S115	Y107-L111 PolarHBondContact O-N 2.92Å; I108-L111 PolarHBondContact O-N 3.08Å; L111-L114 PolarHBondContact O-N 3.38Å; L111-S115 WeakPolarHBondContact O-CB 3.19Å; L111-S115 PolarHBondContact O-N 3.01Å; L111-S115 PolarHBondContact O-OG 3.46Å
112	I	71	Confident	62	Low	67 Å²	67	84.4 Å²	84.4	34%	0.344	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-45.9	176.9	-67.3	170.5	0	0	0	111.2	L65 I108 L114 S115 L116	L65-I112 HydrophobicContact CD1-CG2 3.89Å; I108-I112 HydrophobicContact CG2-CD1 3.56Å; I108-I112 HydrophobicContact CG2-CG1 4.3Å; I108-I112 WeakPolarHBondContact O-CB 3.33Å; I108-I112 VanDerWaalsContact O-CG1 3.26Å; I108-I112 WeakPolarHBondContact O-CG1 3.3Å; I108-I112 PolarHBondContact O-N 3.16Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.34Å; I112-S115 WeakPolarHBondContact CA-OG 3.31Å; I112-S115 PolarHBondContact O-N 3.23Å; I112-S115 PolarHBondContact O-OG 2.74Å; I112-L116 HydrophobicContact CG2-CD1 3.58Å; I112-L116 HydrophobicContact CG2-CG 4.31Å; I112-L116 VanDerWaalsContact O-CB 3.29Å; I112-L116 WeakPolarHBondContact O-CB 3.38Å; I112-L116 VanDerWaalsContact O-CG 3.26Å; I112-L116 WeakPolarHBondContact O-CG 3.38Å; I112-L116 PolarHBondContact O-N 3.01Å
113	T	69.4	Low	62.2	Low	2 Å²	2	89.5 Å²	89.5	1%	0.012	44%	0.444	C	S	.	.	H	α-helix	trans	-62.4	-42.4	178	44.4	0	0	0	0	111.4	L65 K69 V109 S110 Q117 F389	L65-T113 HydrophobicContact CB-CG2 3.96Å; K69-T113 PolarHBondContact NZ-OG1 2.77Å; V109-T113 HydrophobicContact CG1-CG2 4.27Å; V109-T113 WeakPolarHBondContact O-CB 3.33Å; V109-T113 WeakPolarHBondContact O-CG2 3.47Å; V109-T113 PolarHBondContact O-N 2.87Å; V109-T113 PolarHBondContact O-OG1 3.46Å; S110-T113 WeakPolarHBondContact CA-OG1 3.48Å; S110-T113 PolarHBondContact O-OG1 2.96Å; S110-T113 VanDerWaalsContact O-OG1 3.09Å; T113-Q117 WeakPolarHBondContact O-CB 3.29Å; T113-Q117 WeakPolarHBondContact O-CG 3.48Å; T113-Q117 PolarHBondContact O-N 3.31Å; T113-F389 HydrophobicContact CG2-CE2 4.11Å; T113-F389 WeakPolarHBondContact O-CE2 3.46Å; T113-F389 WeakPolarHBondContact O-CZ 3.24Å
114	L	69.2	Low	61.9	Low	98 Å²	98	81.8 Å²	81.8	51%	0.513	42%	0.423	S	S	.	.	H	α-helix	trans	-69.6	-40.5	178.7	-164.2	74.7	0	0	0	112.1	S110 L111 I112 Q117 C118	S110-L114 VanDerWaalsContact O-CB 3.3Å; S110-L114 WeakPolarHBondContact O-CB 3.42Å; S110-L114 PolarHBondContact O-N 2.89Å; L111-L114 PolarHBondContact O-N 3.38Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.34Å; L114-Q117 PolarHBondContact O-N 2.74Å; L114-C118 WeakPolarHBondContact O-CB 3.24Å; L114-C118 PolarHBondContact O-N 2.67Å; L114-C118 PolarHBondContact O-SG 2.95Å; L114-C118 VanDerWaalsContact O-SG 3.38Å
115	S	67.7	Low	60.8	Low	58 Å²	58	85.8 Å²	85.8	41%	0.406	43%	0.432	S	S	.	.	H	α-helix	trans	-64.7	-43.3	177.2	65.6	0	0	0	0	111.5	L111 I112 C118 I119	L111-S115 WeakPolarHBondContact O-CB 3.19Å; L111-S115 PolarHBondContact O-N 3.01Å; L111-S115 PolarHBondContact O-OG 3.46Å; I112-S115 WeakPolarHBondContact CA-OG 3.31Å; I112-S115 PolarHBondContact O-N 3.23Å; I112-S115 PolarHBondContact O-OG 2.74Å; S115-C118 WeakPolarHBondContact O-CB 3.46Å; S115-C118 PolarHBondContact O-N 2.75Å; S115-I119 VanDerWaalsContact O-CG1 3.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.2Å; S115-I119 PolarHBondContact O-N 2.89Å
116	L	68.5	Low	59.9	Low	32 Å²	32	84.6 Å²	84.6	17%	0.168	43%	0.433	C	S	.	.	H	α-helix	trans	-63.6	-43.1	174.9	-73.2	168.3	0	0	0	111.6	V58 I112 C118 I119 F120 F389	V58-L116 HydrophobicContact CG1-CD2 4.32Å; I112-L116 HydrophobicContact CG2-CD1 3.58Å; I112-L116 HydrophobicContact CG2-CG 4.31Å; I112-L116 VanDerWaalsContact O-CB 3.29Å; I112-L116 WeakPolarHBondContact O-CB 3.38Å; I112-L116 VanDerWaalsContact O-CG 3.26Å; I112-L116 WeakPolarHBondContact O-CG 3.38Å; I112-L116 PolarHBondContact O-N 3.01Å; L116-C118 VanDerWaalsContact C-N 3.31Å; L116-C118 PolarHBondContact O-N 3.4Å; L116-I119 PolarHBondContact O-N 2.77Å; L116-F120 VanDerWaalsContact O-CD2 3.28Å; L116-F120 WeakPolarHBondContact O-CD2 3.29Å; L116-F120 PolarHBondContact O-N 2.85Å; L116-F120 VanDerWaalsContact O-N 3.07Å; L116-F389 HydrophobicContact CB-CE1 4.22Å; L116-F389 HydrophobicContact CB-CZ 3.63Å
117	Q	64.7	Low	58.7	Low	51 Å²	51	90 Å²	90	24%	0.238	45%	0.452	C	S	.	.	H	α-helix	trans	-59.5	-41.4	173.1	-79.3	-177.6	-34.3	0	0	112.2	T113 L114 F120 C121 F389	T113-Q117 WeakPolarHBondContact O-CB 3.29Å; T113-Q117 WeakPolarHBondContact O-CG 3.48Å; T113-Q117 PolarHBondContact O-N 3.31Å; L114-Q117 PolarHBondContact O-N 2.74Å; Q117-F120 PolarHBondContact O-N 2.82Å; Q117-C121 WeakPolarHBondContact O-CB 3.13Å; Q117-C121 PolarHBondContact O-N 2.97Å; Q117-F389 HydrophobicContact CB-CZ 4.34Å; Q117-F389 HydrophobicContact CG-CD1 4.47Å; Q117-F389 HydrophobicContact CG-CD2 3.96Å; Q117-F389 HydrophobicContact CG-CE1 4Å; Q117-F389 HydrophobicContact CG-CE2 3.45Å; Q117-F389 VanDerWaalsContact CG-CE2 3.45Å; Q117-F389 HydrophobicContact CG-CG 4.44Å; Q117-F389 HydrophobicContact CG-CZ 3.46Å; Q117-F389 VanDerWaalsContact CG-CZ 3.46Å; Q117-F389 PolarHBondContact NE2-O 3.45Å
118	C	60.3	Low	57.6	Low	74 Å²	74	86.6 Å²	86.6	50%	0.5	45%	0.447	S	S	.	.	H	α-helix	trans	-64.5	-37.7	176.9	-78.4	0	0	0	0	112.6	L114 S115 L116	L114-C118 WeakPolarHBondContact O-CB 3.24Å; L114-C118 PolarHBondContact O-N 2.67Å; L114-C118 PolarHBondContact O-SG 2.95Å; L114-C118 VanDerWaalsContact O-SG 3.38Å; S115-C118 WeakPolarHBondContact O-CB 3.46Å; S115-C118 PolarHBondContact O-N 2.75Å; L116-C118 VanDerWaalsContact C-N 3.31Å; L116-C118 PolarHBondContact O-N 3.4Å
119	I	66.2	Low	56.1	Low	128 Å²	128	88 Å²	88	66%	0.656	46%	0.456	S	S	*	.	H	α-helix	trans	-65.8	-44.7	177.2	-68.5	163.7	0	0	0	110.8	S115 L116	S115-I119 VanDerWaalsContact O-CG1 3.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.2Å; S115-I119 PolarHBondContact O-N 2.89Å; L116-I119 PolarHBondContact O-N 2.77Å
120	F	58.5	Low	54.5	Low	76 Å²	76	95.2 Å²	95.2	33%	0.333	49%	0.486	S	S	.	.	H	α-helix	trans	-81.5	-20.2	-178.4	-74.9	-72.6	0	0	0	114.3	L55 V58 F59 L116 Q117 Y122 L390	L55-F120 HydrophobicContact CD1-CE1 3.72Å; L55-F120 HydrophobicContact CD1-CZ 3.74Å; V58-F120 HydrophobicContact CG1-CE2 3.97Å; V58-F120 HydrophobicContact CG1-CZ 4.12Å; F59-F120 HydrophobicContact CE1-CD1 4.48Å; F59-F120 AromaticContact CE1-CE1 3.9Å; F59-F120 HydrophobicContact CE1-CE1 3.9Å; F59-F120 HydrophobicContact CE1-CE2 4.31Å; F59-F120 AromaticContact CE1-CZ 3.81Å; F59-F120 HydrophobicContact CE1-CZ 3.81Å; F59-F120 HydrophobicContact CZ-CE1 4.35Å; L116-F120 VanDerWaalsContact O-CD2 3.28Å; L116-F120 WeakPolarHBondContact O-CD2 3.29Å; L116-F120 PolarHBondContact O-N 2.85Å; L116-F120 VanDerWaalsContact O-N 3.07Å; Q117-F120 PolarHBondContact O-N 2.82Å; F120-Y122 PolarHBondContact O-N 3.24Å; F120-L390 HydrophobicContact CB-CD2 3.63Å; F120-L390 HydrophobicContact CD1-CD2 4.48Å; F120-L390 HydrophobicContact CD2-CD2 4.22Å; F120-L390 HydrophobicContact CG-CD2 3.87Å
121	C	55	Low	53.1	Low	50 Å²	50	98.5 Å²	98.5	34%	0.338	50%	0.499	S	S	.	.			trans	-74.5	88.6	177.3	-171.9	0	0	0	0	111	Q117 K123 C124	Q117-C121 WeakPolarHBondContact O-CB 3.13Å; Q117-C121 PolarHBondContact O-N 2.97Å; C121-K123 PolarHBondContact O-N 2.95Å; C121-C124 PolarHBondContact O-N 2.92Å
122	Y	47.8	Very low	51.5	Low	204 Å²	204	97.6 Å²	97.6	80%	0.8	50%	0.497	S	S	*	.	H	α-helix	trans	-50.3	-29.4	171.4	-166.4	-96.2	0	0	0	112.6	F120 C124 K125	F120-Y122 PolarHBondContact O-N 3.24Å; Y122-C124 VanDerWaalsContact C-N 3.33Å; Y122-C124 PolarHBondContact O-N 3.1Å; Y122-K125 PolarHBondContact O-N 3.07Å
123	K	43.4	Very low	49.9	Very low	178 Å²	178	99.5 Å²	99.5	77%	0.774	51%	0.512	S	S	*	.	H	α-helix	trans	-64.9	-26.2	176.8	-105.6	174.5	179.3	170.4	0	114.4	C121	C121-K123 PolarHBondContact O-N 2.95Å
124	C	43.3	Very low	48.4	Very low	60 Å²	60	104.1 Å²	104.1	41%	0.405	54%	0.541	S	S	.	.	H	α-helix	trans	-78	-35.3	177.9	-77	0	0	0	0	112.3	C121 Y122 S126 K127 V128	C121-C124 PolarHBondContact O-N 2.92Å; Y122-C124 VanDerWaalsContact C-N 3.33Å; Y122-C124 PolarHBondContact O-N 3.1Å; C124-S126 VanDerWaalsContact C-N 3.31Å; C124-S126 PolarHBondContact O-N 3.43Å; C124-K127 PolarHBondContact O-N 3.43Å; C124-V128 WeakPolarHBondContact O-CG2 3.21Å; C124-V128 PolarHBondContact O-N 3.43Å; C124-V128 VanDerWaalsContact O-N 3.1Å
125	K	37.8	Very low	46.6	Very low	163 Å²	163	107.9 Å²	107.9	71%	0.709	55%	0.553	S	S	*	*	H	α-helix	trans	-64.4	-34.9	-178.8	-139.9	175.7	-174.7	-179.9	0	112.4	Y122	Y122-K125 PolarHBondContact O-N 3.07Å
126	S	37.8	Very low	45	Very low	84 Å²	84	113.2 Å²	113.2	59%	0.587	57%	0.571	S	S	*	*	H	α-helix	trans	-70.3	-33.3	175.6	179.2	0	0	0	0	113.5	C124	C124-S126 VanDerWaalsContact C-N 3.31Å; C124-S126 PolarHBondContact O-N 3.43Å
127	K	35.2	Very low	43.4	Very low	155 Å²	155	118.1 Å²	118.1	67%	0.674	60%	0.598	S	S	*	*	H	α-helix	trans	-79.7	-31.7	179.5	-93.9	-175.5	174.2	-176.1	0	113.6	C124 N129 K130 L131	C124-K127 PolarHBondContact O-N 3.43Å; K127-N129 VanDerWaalsContact C-N 3.33Å; K127-K130 PolarHBondContact O-N 3.05Å; K127-L131 PolarHBondContact O-N 2.87Å
128	V	39.1	Very low	41.7	Very low	88 Å²	88	122.8 Å²	122.8	53%	0.533	62%	0.624	S	S	.	*	H	α-helix	trans	-65.1	-38.9	176.8	174	0	0	0	0	111	C124 K130 L131 T132	C124-V128 WeakPolarHBondContact O-CG2 3.21Å; C124-V128 PolarHBondContact O-N 3.43Å; C124-V128 VanDerWaalsContact O-N 3.1Å; V128-K130 PolarHBondContact O-N 3.48Å; V128-L131 PolarHBondContact O-N 2.93Å; V128-L131 VanDerWaalsContact O-N 3.15Å; V128-T132 PolarHBondContact O-N 2.96Å; V128-T132 PolarHBondContact O-OG1 3.25Å
129	N	36.5	Very low	40.2	Very low	113 Å²	113	123.7 Å²	123.7	60%	0.604	64%	0.637	S	S	*	*	H	α-helix	trans	-67.2	-18.6	176.6	-73.1	1.3	0	0	0	114	K127	K127-N129 VanDerWaalsContact C-N 3.33Å
130	K	37.2	Very low	38.3	Very low	168 Å²	168	123.3 Å²	123.3	73%	0.73	64%	0.64	S	S	*	*	H	α-helix	trans	-89.2	-15	174.6	-94.3	-173.9	175.2	-177.1	0	114.1	K127 V128 T133	K127-K130 PolarHBondContact O-N 3.05Å; V128-K130 PolarHBondContact O-N 3.48Å; K130-T133 PolarHBondContact O-OG1 3.02Å
131	L	36.8	Very low	36.9	Very low	117 Å²	117	127.5 Å²	127.5	61%	0.613	67%	0.665	S	S	*	*	H	α-helix	trans	-97.7	-22.3	-178.6	-98.6	134.7	0	0	0	112.9	K127 V128 T133	K127-L131 PolarHBondContact O-N 2.87Å; V128-L131 PolarHBondContact O-N 2.93Å; V128-L131 VanDerWaalsContact O-N 3.15Å; L131-T133 VanDerWaalsContact C-N 3.35Å
132	T	36.3	Very low	35.5	Very low	83 Å²	83	131.3 Å²	131.3	51%	0.509	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.1	-24.9	173.9	43.2	0	0	0	0	112.8	V128	V128-T132 PolarHBondContact O-N 2.96Å; V128-T132 PolarHBondContact O-OG1 3.25Å
133	T	37.5	Very low	34.2	Very low	107 Å²	107	126.5 Å²	126.5	66%	0.656	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-18.9	178.7	54.6	0	0	0	0	114.1	K130 L131	K130-T133 PolarHBondContact O-OG1 3.02Å; L131-T133 VanDerWaalsContact C-N 3.35Å
134	T	37.2	Very low	33.3	Very low	99 Å²	99	122.2 Å²	122.2	61%	0.607	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-9.7	-178.6	36.1	0	0	0	0	114.8
135	K	31.1	Very low	32.4	Very low	178 Å²	178	125.9 Å²	125.9	77%	0.774	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-8.7	-176.8	-121.4	-177.2	-178.5	-173.9	0	115.4	N137	K135-N137 VanDerWaalsContact C-N 3.32Å; K135-N137 PolarHBondContact O-N 3.35Å
136	H	34	Very low	31.5	Very low	170 Å²	170	123.8 Å²	123.8	79%	0.787	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-11.8	177.3	-91.7	-67.7	0	0	0	114.6
137	N	34.7	Very low	30.6	Very low	135 Å²	135	127.2 Å²	127.2	72%	0.722	72%	0.72	S	S	*	*	S	Bend	trans	-101.1	-10.2	-171.8	-77.2	6	0	0	0	116.8	K135	K135-N137 VanDerWaalsContact C-N 3.32Å; K135-N137 PolarHBondContact O-N 3.35Å
138	N	29.6	Very low	30	Very low	149 Å²	149	124.8 Å²	124.8	80%	0.797	73%	0.73	S	S	*	*			trans	-119.1	19.1	-173.3	-72.8	9.2	0	0	0	115.2	T140	N138-T140 VanDerWaalsContact C-N 3.27Å; N138-T140 PolarHBondContact O-N 3.36Å
139	A	29	Very low	29.1	Very low	92 Å²	92	125.5 Å²	125.5	76%	0.76	74%	0.739	S	S	*	*			trans	-89.6	58.2	171.6	0	0	0	0	0	111.2
140	T	26.3	Very low	28.5	Very low	120 Å²	120	126.7 Å²	126.7	74%	0.736	74%	0.743	S	S	*	*			trans	-161	95.7	167.8	13.2	0	0	0	0	107.2	N138	N138-T140 VanDerWaalsContact C-N 3.27Å; N138-T140 PolarHBondContact O-N 3.36Å
141	I	28.7	Very low	27.9	Very low	164 Å²	164	126.2 Å²	126.2	84%	0.841	75%	0.749	S	S	*	*			trans	-173	88	146.3	-86.5	150	0	0	0	105.2
142	T	25.2	Very low	27.1	Very low	130 Å²	130	126.5 Å²	126.5	80%	0.798	76%	0.756	S	S	*	*			trans	28.5	117.6	137.9	36.8	0	0	0	0	120.3
143	A	21.4	Very low	26.6	Very low	104 Å²	104	130.5 Å²	130.5	86%	0.86	77%	0.772	S	S	*	*			trans	-48	129.5	146.2	0	0	0	0	0	112.9
144	A	24.2	Very low	25.7	Very low	88 Å²	88	131 Å²	131	73%	0.727	78%	0.775	S	S	*	*			trans	-162.7	125.9	148.3	0	0	0	0	0	111
145	T	24	Very low	25	Very low	136 Å²	136	132.6 Å²	132.6	83%	0.834	79%	0.785	S	S	*	*			trans	70.9	107.3	144.9	43.2	0	0	0	0	121.6
146	T	19.4	Very low	24.4	Very low	119 Å²	119	128.5 Å²	128.5	73%	0.73	78%	0.779	S	S	*	*			trans	-43.1	153.6	145.5	41.4	0	0	0	0	116.8
147	N	19.7	Very low	23.8	Very low	156 Å²	156	129.4 Å²	129.4	83%	0.834	78%	0.783	S	S	*	*			trans	77.2	106.1	154.4	-61.4	-10.8	0	0	0	119.1
148	A	22.6	Very low	23.3	Very low	105 Å²	105	128 Å²	128	87%	0.868	78%	0.784	S	S	*	*				-175.1	140.5	126	0	0	0	0	0	111.3
149	S	20.6	Very low	23	Very low	103 Å²	103	127 Å²	127	72%	0.72	78%	0.783	S	S	*	*			trans	-63.8	166.3	173.5	42.5	0	0	0	0	115.5
150	I	22.6	Very low	22.6	Very low	138 Å²	138	131.1 Å²	131.1	71%	0.708	79%	0.792	S	S	*	*			trans	121.5	114.6	151.4	-62.3	157.7	0	0	0	113.4
151	N	25.3	Very low	22.4	Very low	157 Å²	157	132.7 Å²	132.7	84%	0.84	79%	0.794	S	S	*	*				-170.2	101.9	129.1	-91.5	-13.4	0	0	0	110.6
152	T	19.6	Very low	22.1	Very low	124 Å²	124	130.7 Å²	130.7	76%	0.761	79%	0.792	S	S	*	*			trans	-61.9	148.7	151.9	22.4	0	0	0	0	110.6
153	I	25	Very low	22.1	Very low	167 Å²	167	132.4 Å²	132.4	86%	0.856	80%	0.795	S	S	*	*			trans	-167.9	134.8	138.1	-90.4	146.6	0	0	0	110.6
154	T	18.8	Very low	22.2	Very low	118 Å²	118	132.6 Å²	132.6	72%	0.724	79%	0.79	S	S	*	*			trans	-58.4	157.9	178	35.3	0	0	0	0	119
155	T	22.5	Very low	22.1	Very low	131 Å²	131	134.1 Å²	134.1	80%	0.804	79%	0.79	S	S	*	*			trans	168.4	102.3	130.1	30.5	0	0	0	0	109.4
156	S	20	Very low	22.2	Very low	93 Å²	93	135.4 Å²	135.4	65%	0.65	79%	0.792	S	S	*	*				85.1	120.7	83.9	67	0	0	0	0	115.8
157	Q	21.3	Very low	22.3	Very low	189 Å²	189	136.9 Å²	136.9	88%	0.883	80%	0.796	S	S	*	*			trans	75.9	137.8	158.5	-57.4	171.6	-8.8	0	0	116.1
158	S	23.7	Very low	22.7	Very low	104 Å²	104	138.2 Å²	138.2	73%	0.727	80%	0.797	S	S	*	*			cis	-171	139	41.3	42.3	0	0	0	0	112.3
159	T	22.3	Very low	22.7	Very low	128 Å²	128	139.1 Å²	139.1	79%	0.785	80%	0.796	S	S	*	*			trans	51.2	101.2	147	43	0	0	0	0	120.9
160	L	20.9	Very low	22.9	Very low	179 Å²	179	137.5 Å²	137.5	94%	0.937	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.1	122.5	151.8	-78.9	143.2	0	0	0	110.1
161	I	22.9	Very low	22.9	Very low	154 Å²	154	138.9 Å²	138.9	79%	0.79	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-94.5	125.3	163	-66.3	167.6	0	0	0	107
162	P	21.8	Very low	22.8	Very low	121 Å²	121	138.6 Å²	138.6	79%	0.786	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-82.4	128.8	-178.3	11	4.1	0	0	0	111
163	L	25	Very low	23	Very low	166 Å²	166	142.8 Å²	142.8	87%	0.869	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81	133.7	169.3	-118.2	107.3	0	0	0	110
164	S	24.1	Very low	23.1	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-55.9	137.4	-178.1	44.5	0	0	0	0	113.8
165	T	21.9	Very low	23.4	Very low	119 Å²	119	144.2 Å²	144.2	73%	0.73	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69.3	121.6	171.6	48.5	0	0	0	0	111.1
166	D	25.2	Very low	23.6	Very low	163 Å²	163	145.3 Å²	145.3	87%	0.872	81%	0.811	S	S	*	*			trans	-129.3	114.6	145.4	-88.8	-33.9	0	0	0	108.8	H168	D166-H168 PolarHBondContact O-N 3.1Å
167	N	23.3	Very low	23.9	Very low	151 Å²	151	148.2 Å²	148.2	81%	0.807	82%	0.82	S	S	*	*			trans	-72.7	103.5	177.2	-75.7	-38.5	0	0	0	109.2
168	H	28.2	Very low	24.2	Very low	183 Å²	183	144.4 Å²	144.4	85%	0.847	81%	0.809	S	S	*	*			trans	-134.6	108.3	150	-87	-67.9	0	0	0	110.2	D166	D166-H168 PolarHBondContact O-N 3.1Å
169	S	22.3	Very low	24.2	Very low	124 Å²	124	148.1 Å²	148.1	87%	0.867	82%	0.817	S	S	*	*			trans	-47	126.6	164.9	48.9	0	0	0	0	112.7
170	G	24.5	Very low	24.6	Very low	70 Å²	70	147.8 Å²	147.8	72%	0.722	81%	0.809	S	S	*	*			trans	175.8	91.2	169.8	0	0	0	0	0	114.6
171	N	22.1	Very low	25	Very low	166 Å²	166	145.1 Å²	145.1	89%	0.888	80%	0.796	S	S	*	*			trans	59.9	102.7	154.4	-70	-13.7	0	0	0	120.9	Y173	N171-Y173 PolarHBondContact O-N 3.16Å
172	I	22.9	Very low	25.6	Very low	151 Å²	151	143.1 Å²	143.1	77%	0.774	79%	0.785	S	S	*	*			trans	-42.9	118.7	141.5	-63.7	160	0	0	0	110.1
173	Y	24.7	Very low	26.2	Very low	212 Å²	212	145.5 Å²	145.5	83%	0.831	78%	0.783	S	S	*	*			trans	149.9	77.4	146.1	-85	-68.3	0	0	0	108.2	N171	N171-Y173 PolarHBondContact O-N 3.16Å
174	D	26.6	Very low	27.2	Very low	164 Å²	164	145.3 Å²	145.3	88%	0.877	78%	0.775	S	S	*	*			trans	-128.4	115	152	-98.9	-32.4	0	0	0	108.6	N176	D174-N176 PolarHBondContact O-N 3.27Å
175	N	25.9	Very low	28.6	Very low	152 Å²	152	149 Å²	149	81%	0.813	78%	0.78	S	S	*	*			trans	-48.2	130.3	175.7	-85.1	-43	0	0	0	109.5	N177	N175-N177 PolarHBondContact O-N 3.06Å
176	N	26.8	Very low	30.5	Very low	153 Å²	153	145 Å²	145	82%	0.818	76%	0.756	S	S	*	*			trans	-53	74.9	171.6	-76.5	-30.9	0	0	0	112.2	D174 V178	D174-N176 PolarHBondContact O-N 3.27Å; N176-V178 HydrophobicContact CB-CG2 4.27Å; N176-V178 PolarHBondContact O-N 3.4Å
177	N	25.6	Very low	33	Very low	155 Å²	155	147.4 Å²	147.4	83%	0.829	75%	0.753	S	S	*	*			trans	-74.9	76.4	149.7	-83.9	-18	0	0	0	106.1	N175 M179	N175-N177 PolarHBondContact O-N 3.06Å; N177-M179 PolarHBondContact O-N 2.95Å
178	V	27.5	Very low	36.1	Very low	109 Å²	109	142.2 Å²	142.2	66%	0.661	72%	0.722	S	S	*	*			trans	-65.4	86.3	160.7	-179.2	0	0	0	0	105.5	N176 I180	N176-V178 HydrophobicContact CB-CG2 4.27Å; N176-V178 PolarHBondContact O-N 3.4Å; V178-I180 VanDerWaalsContact C-N 3.27Å; V178-I180 HydrophobicContact CG1-CG1 3.99Å; V178-I180 PolarHBondContact O-N 2.95Å
179	M	23.3	Very low	39.2	Very low	181 Å²	181	135.5 Å²	135.5	89%	0.892	69%	0.694	S	S	*	*			trans	-65.4	96.9	163.8	-126.1	-158.3	-84.4	0	0	105.2	N177 D181	N177-M179 PolarHBondContact O-N 2.95Å; M179-D181 VanDerWaalsContact C-N 3.33Å; M179-D181 PolarHBondContact O-N 3.32Å
180	I	30.8	Very low	42.7	Very low	122 Å²	122	130.1 Å²	130.1	63%	0.626	66%	0.659	S	S	*	*			trans	-66.6	101.2	168.8	-58.3	175.2	0	0	0	105.3	V178 M182	V178-I180 VanDerWaalsContact C-N 3.27Å; V178-I180 HydrophobicContact CG1-CG1 3.99Å; V178-I180 PolarHBondContact O-N 2.95Å; I180-M182 VanDerWaalsContact C-N 3.29Å; I180-M182 HydrophobicContact CG2-CE 4.17Å; I180-M182 HydrophobicContact CG2-CG 3.95Å; I180-M182 PolarHBondContact O-N 3.4Å
181	D	29.2	Very low	46.3	Very low	122 Å²	122	126.8 Å²	126.8	65%	0.652	62%	0.624	S	S	*	*			trans	-64.4	88	174.5	-172.1	19.4	0	0	0	109.1	M179 K183	M179-D181 VanDerWaalsContact C-N 3.33Å; M179-D181 PolarHBondContact O-N 3.32Å; D181-K183 PolarHBondContact O-N 3.49Å; D181-K183 WeakPolarHBondContact OD1-CG 3.47Å
182	M	36	Very low	49.9	Very low	113 Å²	113	118.9 Å²	118.9	56%	0.557	58%	0.582	S	S	*	*			trans	-81.8	63.4	177.8	-70.4	-171.5	-176.9	0	0	111	Y84 I180 F184	Y84-M182 HydrophobicContact CE1-CE 4.38Å; Y84-M182 WeakPolarHBondContact OH-CE 3.14Å; Y84-M182 PolarHBondContact OH-SD 3.26Å; I180-M182 VanDerWaalsContact C-N 3.29Å; I180-M182 HydrophobicContact CG2-CE 4.17Å; I180-M182 HydrophobicContact CG2-CG 3.95Å; I180-M182 PolarHBondContact O-N 3.4Å; M182-F184 VanDerWaalsContact C-N 3.25Å; M182-F184 PolarHBondContact O-N 2.85Å
183	K	34.8	Very low	53.5	Low	170 Å²	170	111.7 Å²	111.7	74%	0.739	55%	0.545	S	S	*	.			trans	-87.8	61.7	166.7	-76.5	179.4	-177.7	177.3	0	111.4	D181	D181-K183 PolarHBondContact O-N 3.49Å; D181-K183 WeakPolarHBondContact OD1-CG 3.47Å
184	F	45.4	Very low	57	Low	163 Å²	163	101.6 Å²	101.6	72%	0.715	51%	0.506	S	S	*	.			trans	-96.4	96.8	152.7	-99.3	-84.5	0	0	0	106.6	V83 M182 V186	V83-F184 HydrophobicContact CG2-CB 4.48Å; M182-F184 VanDerWaalsContact C-N 3.25Å; M182-F184 PolarHBondContact O-N 2.85Å; F184-V186 PolarHBondContact O-N 3.23Å
185	E	53.7	Low	60.4	Low	187 Å²	187	93.8 Å²	93.8	87%	0.874	46%	0.464	S	S	*	.			trans	-59.3	108.6	170.5	-82	-177	174.7	0	0	108.7	R187	E185-R187 PolarHBondContact O-N 2.84Å; E185-R187 VanDerWaalsContact O-N 3.14Å
186	V	62.1	Low	63.8	Low	35 Å²	35	87.1 Å²	87.1	21%	0.212	43%	0.428	C	S	.	.			trans	-66.6	110.8	172.3	168	0	0	0	0	107.6	Y79 F184 W188	Y79-V186 HydrophobicContact CD1-CB 4.09Å; Y79-V186 HydrophobicContact CD1-CG1 3.81Å; Y79-V186 HydrophobicContact CD1-CG2 3.92Å; Y79-V186 HydrophobicContact CD2-CG1 3.88Å; Y79-V186 HydrophobicContact CG-CB 4.13Å; Y79-V186 HydrophobicContact CG-CG1 3.36Å; Y79-V186 HydrophobicContact CG-CG2 4.12Å; F184-V186 PolarHBondContact O-N 3.23Å; V186-W188 HydrophobicContact CG1-CD2 4.05Å; V186-W188 HydrophobicContact CG1-CG 4.21Å; V186-W188 HydrophobicContact CG1-CZ2 3.93Å; V186-W188 PolarHBondContact O-N 2.9Å; V186-W188 VanDerWaalsContact O-N 3.09Å
187	R	78	Confident	67.1	Low	213 Å²	213	80 Å²	80	80%	0.804	39%	0.39	S	S	*	.			trans	-75.6	100.3	175.4	-160.2	178.7	-163.8	-172.2	5.3	109.7	E185	E185-R187 PolarHBondContact O-N 2.84Å; E185-R187 VanDerWaalsContact O-N 3.14Å
188	W	87.5	Confident	70.2	Confident	42 Å²	42	75.3 Å²	75.3	16%	0.159	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-76.7	138.4	174.1	-69.9	98	0	0	0	110.7	P77 V186 Y216 P217 M293 V296 S297	P77-W188 HydrophobicContact CB-CH2 3.74Å; P77-W188 HydrophobicContact CB-CZ2 3.73Å; P77-W188 HydrophobicContact CG-CH2 4.31Å; P77-W188 HydrophobicContact CG-CZ2 4.17Å; V186-W188 HydrophobicContact CG1-CD2 4.05Å; V186-W188 HydrophobicContact CG1-CG 4.21Å; V186-W188 HydrophobicContact CG1-CZ2 3.93Å; V186-W188 PolarHBondContact O-N 2.9Å; V186-W188 VanDerWaalsContact O-N 3.09Å; W188-Y216 HydrophobicContact CB-CE1 4.45Å; W188-Y216 HydrophobicContact CB-CE2 4.38Å; W188-Y216 HydrophobicContact CD2-CE2 4.21Å; W188-Y216 AromaticContact CE3-CE2 3.91Å; W188-Y216 HydrophobicContact CE3-CE2 3.91Å; W188-Y216 HydrophobicContact CG-CE2 4.43Å; W188-P217 HydrophobicContact CG-CG 4.24Å; W188-M293 HydrophobicContact CD2-CE 4.22Å; W188-M293 HydrophobicContact CD2-SD 3.73Å; W188-M293 HydrophobicContact CE3-SD 3.65Å; W188-M293 HydrophobicContact CH2-CE 4.43Å; W188-M293 HydrophobicContact CH2-CG 4.24Å; W188-M293 HydrophobicContact CH2-SD 3.13Å; W188-M293 WeakPolarHBondContact CH2-SD 3.09Å; W188-M293 HydrophobicContact CZ2-CE 3.94Å; W188-M293 HydrophobicContact CZ2-SD 3.21Å; W188-M293 WeakPolarHBondContact CZ2-SD 3.29Å; W188-M293 HydrophobicContact CZ3-SD 3.36Å; W188-M293 WeakPolarHBondContact CZ3-SD 3.45Å; W188-V296 HydrophobicContact CE3-CG1 4.36Å; W188-S297 WeakPolarHBondContact CH2-OG 3.37Å; W188-S297 WeakPolarHBondContact CZ3-OG 3.07Å
189	P	93.9	Very high	73.3	Confident	41 Å²	41	71.4 Å²	71.4	27%	0.266	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-68.7	138.6	176.2	29.2	-34.2	0	0	0	110.2	Y216 L277 V296	P189-Y216 WeakPolarHBondContact CD-OH 3.08Å; P189-Y216 WeakPolarHBondContact O-CE1 3.22Å; P189-Y216 PolarHBondContact O-OH 3.26Å; P189-L277 HydrophobicContact CB-CD1 3.98Å; P189-L277 HydrophobicContact CG-CD1 3.74Å; P189-V296 HydrophobicContact CG-CG1 3.56Å
190	G	96.2	Very high	76.4	Confident	12 Å²	12	68.7 Å²	68.7	12%	0.124	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-62.4	147.4	173.9	0	0	0	0	0	112.3	T218 Y275	G190-T218 VanDerWaalsContact CA-O 3.31Å; G190-T218 WeakPolarHBondContact CA-O 3.26Å; G190-Y275 VanDerWaalsContact C-CG 3.46Å; G190-Y275 VanDerWaalsContact O-CB 3.3Å; G190-Y275 WeakPolarHBondContact O-CB 3.42Å
191	V	98.4	Very high	79.2	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.3	177.3	-174.9	0	0	0	0	110.9	I193 Y216 T218 F219 E220 Y275 L277 L279 L292 V296 L401	V191-I193 HydrophobicContact CG1-CG1 4.24Å; V191-Y216 HydrophobicContact CG2-CE1 3.99Å; V191-T218 PolarHBondContact N-O 3.3Å; V191-F219 HydrophobicContact CB-CB 4.41Å; V191-F219 CarbonylContact O-C 3.47Å; V191-F219 WeakPolarHBondContact O-CA 3.2Å; V191-F219 WeakPolarHBondContact O-CB 3.46Å; V191-E220 PolarHBondContact O-N 2.9Å; V191-Y275 VanDerWaalsContact C-CD2 3.48Å; V191-L277 HydrophobicContact CB-CB 4.47Å; V191-L277 HydrophobicContact CG1-CB 4.32Å; V191-L277 HydrophobicContact CG2-CB 4.06Å; V191-L277 HydrophobicContact CG2-CD1 4.13Å; V191-L279 HydrophobicContact CG1-CB 4.07Å; V191-L292 HydrophobicContact CB-CD1 4.39Å; V191-L292 HydrophobicContact CB-CD2 4.5Å; V191-L292 HydrophobicContact CG1-CD1 4.08Å; V191-L292 HydrophobicContact CG2-CD1 4.19Å; V191-V296 HydrophobicContact CG2-CG2 3.73Å; V191-L401 HydrophobicContact CG1-CD1 3.83Å
192	S	98.7	Very high	82	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.7	169.7	-52.7	0	0	0	0	109.8	E220 S273 K274 Y275 L277 L278 L279	S192-E220 VanDerWaalsContact CB-OE1 3.23Å; S192-E220 WeakPolarHBondContact CB-OE1 3.24Å; S192-E220 PolarHBondContact OG-OE1 3.48Å; S192-S273 WeakPolarHBondContact OG-CB 3.26Å; S192-S273 PolarHBondContact OG-OG 3.11Å; S192-K274 PolarHBondContact OG-N 2.93Å; S192-Y275 PolarHBondContact OG-N 3.37Å; S192-L277 PolarHBondContact N-O 2.73Å; S192-L278 CarbonylContact O-C 3.57Å; S192-L278 WeakPolarHBondContact O-CA 3.34Å; S192-L279 PolarHBondContact O-N 3.31Å
193	I	98.5	Very high	84.6	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112	-178.4	-53	-176.4	0	0	0	108.8	V191 K195 F211 M214 F219 E220 L221 L222 L279 L292	V191-I193 HydrophobicContact CG1-CG1 4.24Å; I193-K195 HydrophobicContact CG2-CG 4.16Å; I193-F211 HydrophobicContact CD1-CD1 4.28Å; I193-F211 HydrophobicContact CG2-CD1 4.05Å; I193-F211 HydrophobicContact CG2-CE1 4.13Å; I193-M214 HydrophobicContact CD1-CE 3.15Å; I193-M214 HydrophobicContact CD1-SD 4.05Å; I193-F219 HydrophobicContact CD1-CB 4.35Å; I193-F219 HydrophobicContact CD1-CD2 3.84Å; I193-F219 HydrophobicContact CD1-CG 4.35Å; I193-E220 WeakPolarHBondContact CB-O 3.33Å; I193-E220 PolarHBondContact N-O 3.05Å; I193-L221 HydrophobicContact CB-CD2 3.84Å; I193-L221 HydrophobicContact CD1-CD2 3.7Å; I193-L221 HydrophobicContact CG1-CD2 4.2Å; I193-L221 HydrophobicContact CG2-CD2 4.14Å; I193-L222 PolarHBondContact O-N 3.43Å; I193-L279 CarbonylContact C-O 3.54Å; I193-L279 WeakPolarHBondContact CA-O 3.18Å; I193-L279 HydrophobicContact CB-CB 4.47Å; I193-L279 HydrophobicContact CD1-CD2 4.07Å; I193-L279 HydrophobicContact CG1-CB 4.14Å; I193-L279 HydrophobicContact CG1-CD2 4.12Å; I193-L279 HydrophobicContact CG2-CB 4.33Å; I193-L279 HydrophobicContact CG2-CD2 4.03Å; I193-L279 HydrophobicContact CG2-CG 4.19Å; I193-L292 HydrophobicContact CD1-CD2 4.05Å
194	L	98.4	Very high	87.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	112.2	179.3	-49.2	-170.9	0	0	0	109	P196 L222 L266 G269 L279 S281 F413	L194-P196 VanDerWaalsContact O-CD 3.24Å; L194-P196 WeakPolarHBondContact O-CD 3.29Å; L194-L222 HydrophobicContact CD2-CB 4.21Å; L194-L222 HydrophobicContact CD2-CD1 3.72Å; L194-L222 HydrophobicContact CD2-CG 4.41Å; L194-L266 HydrophobicContact CB-CD2 3.97Å; L194-L266 HydrophobicContact CD1-CD2 4.4Å; L194-G269 WeakPolarHBondContact CD2-O 3.43Å; L194-L279 PolarHBondContact N-O 3.21Å; L194-S281 PolarHBondContact O-N 3.19Å; L194-S281 VanDerWaalsContact O-N 3.16Å; L194-F413 HydrophobicContact CD1-CE2 3.8Å; L194-F413 HydrophobicContact CD1-CZ 4.4Å
195	K	97.4	Very high	89.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	85.5	-178.4	-82.6	-81	164.8	-166.9	0	110.2	I193 L197 L208 L222 F223 C224 S281 D282	I193-K195 HydrophobicContact CG2-CG 4.16Å; K195-L197 HydrophobicContact CB-CD2 4.5Å; K195-L197 PolarHBondContact O-N 2.68Å; K195-L208 HydrophobicContact CD-CD2 4.33Å; K195-L222 PolarHBondContact N-O 3.41Å; K195-F223 HydrophobicContact CB-CD1 3.73Å; K195-F223 HydrophobicContact CB-CE1 4.2Å; K195-F223 HydrophobicContact CG-CD1 4.3Å; K195-F223 HydrophobicContact CG-CE1 4.27Å; K195-C224 PolarHBondContact O-N 2.94Å; K195-S281 WeakPolarHBondContact CD-O 3.47Å; K195-S281 WeakPolarHBondContact CE-OG 3.37Å; K195-S281 VanDerWaalsContact NZ-CB 3.3Å; K195-S281 PolarHBondContact NZ-O 3.27Å; K195-S281 PolarHBondContact NZ-OG 3.03Å; K195-D282 PolarHBondContact NZ-O 3.24Å
196	P	96.8	Very high	91.7	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.071	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	120	173.7	29.4	-33.8	0	0	0	109.8	L194 C224 K262 N265 L266	L194-P196 VanDerWaalsContact O-CD 3.24Å; L194-P196 WeakPolarHBondContact O-CD 3.29Å; P196-C224 WeakPolarHBondContact CA-O 3.25Å; P196-K262 HydrophobicContact CB-CG 4.15Å; P196-K262 HydrophobicContact CG-CG 4.06Å; P196-N265 HydrophobicContact CB-CB 3.84Å; P196-L266 HydrophobicContact CB-CD2 4.44Å; P196-L266 HydrophobicContact CG-CD2 3.96Å; P196-L266 HydrophobicContact CG-CG 4.43Å
197	L	96	Very high	93.3	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	23%	0.227	C	C	.	.			trans	-114.3	151.9	179	-49.6	-179.4	0	0	0	111.1	K195 L204 L208 F223 C224 I225 A232 A236 N265	K195-L197 HydrophobicContact CB-CD2 4.5Å; K195-L197 PolarHBondContact O-N 2.68Å; L197-L204 HydrophobicContact CD2-CD1 4.41Å; L197-L208 HydrophobicContact CD1-CD1 4.1Å; L197-L208 HydrophobicContact CD2-CD2 3.93Å; L197-F223 HydrophobicContact CD1-CB 4.1Å; L197-F223 HydrophobicContact CD1-CD1 3.83Å; L197-F223 HydrophobicContact CD1-CG 4.29Å; L197-F223 HydrophobicContact CG-CD1 4.49Å; L197-C224 PolarHBondContact N-O 3.46Å; L197-I225 HydrophobicContact CB-CG1 4.18Å; L197-I225 HydrophobicContact CD1-CD1 4.24Å; L197-I225 HydrophobicContact CD1-CG1 4.47Å; L197-A232 HydrophobicContact CB-CB 3.78Å; L197-A232 HydrophobicContact CD1-CB 4.14Å; L197-A236 HydrophobicContact CD1-CB 4.45Å; L197-N265 PolarHBondContact O-ND2 3.25Å
198	S	92.4	Very high	94.3	Very high	58 Å²	58	33.6 Å²	33.6	41%	0.406	19%	0.188	S	C	.	.			trans	-164.7	124.1	170.5	173.8	0	0	0	0	109.3	D230	S198-D230 WeakPolarHBondContact CA-OD2 3.43Å
199	G	91.6	Very high	94.7	Very high	26 Å²	26	33.6 Å²	33.6	27%	0.268	19%	0.192	S	C	.	.	S	Bend	trans	67.8	179.4	-173.9	0	0	0	0	0	113.3	D230	G199-D230 WeakPolarHBondContact CA-OD1 3.12Å; G199-D230 VanDerWaalsContact N-CG 3.33Å; G199-D230 PolarHBondContact N-OD1 3.46Å; G199-D230 PolarHBondContact N-OD2 3.22Å
200	R	89.7	Confident	94.8	Very high	125 Å²	125	31.8 Å²	31.8	47%	0.472	18%	0.179	S	C	.	.			trans	-124	104.5	-178.3	-174.7	172.2	-179.8	-179.9	-1.5	111.2	L204 E205 P231	R200-L204 HydrophobicContact CB-CD2 4.41Å; R200-L204 HydrophobicContact CG-CD2 4.29Å; R200-E205 IonicContact NH2-OE2 3.59Å; R200-P231 HydrophobicContact CB-CB 3.97Å; R200-P231 HydrophobicContact CB-CG 4.01Å
201	D	88.1	Confident	94.9	Very high	50 Å²	50	31.2 Å²	31.2	27%	0.267	17%	0.174	S	C	.	.			trans	-82	155.6	171.9	68.2	-96	0	0	0	111.8	N203 L204	D201-N203 PolarHBondContact O-N 3.16Å; D201-N203 VanDerWaalsContact O-N 3.11Å; D201-N203 PolarHBondContact OD2-N 2.83Å; D201-N203 VanDerWaalsContact OD2-N 3.16Å; D201-L204 VanDerWaalsContact O-CB 3.23Å; D201-L204 WeakPolarHBondContact O-CB 3.17Å; D201-L204 PolarHBondContact O-N 3Å; D201-L204 WeakPolarHBondContact OD1-CB 3.45Å; D201-L204 WeakPolarHBondContact OD2-CA 3.33Å; D201-L204 PolarHBondContact OD2-N 3.06Å
202	P	87.8	Confident	94.9	Very high	129 Å²	129	31.6 Å²	31.6	84%	0.838	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.2	-176.6	-26.7	35.1	0	0	0	114.7
203	N	91.1	Very high	94.7	Very high	58 Å²	58	37 Å²	37	31%	0.31	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	3.3	-179.1	-69.7	-69.1	0	0	0	112.7	D201 E205 N206 N207 N447	D201-N203 PolarHBondContact O-N 3.16Å; D201-N203 VanDerWaalsContact O-N 3.11Å; D201-N203 PolarHBondContact OD2-N 2.83Å; D201-N203 VanDerWaalsContact OD2-N 3.16Å; N203-E205 VanDerWaalsContact C-N 3.32Å; N203-E205 PolarHBondContact O-N 3.18Å; N203-N206 PolarHBondContact O-N 3.22Å; N203-N207 PolarHBondContact O-N 3.42Å; N203-N207 PolarHBondContact O-ND2 3.41Å; N203-N207 PolarHBondContact O-OD1 2.88Å; N203-N447 HydrophobicContact CB-CB 4.16Å; N203-N447 WeakPolarHBondContact CB-ND2 2.93Å
204	L	94	Very high	94.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-47.8	-170.8	-177.1	55.7	0	0	0	110.8	L197 R200 D201 N206 N207 L208 A232 L235	L197-L204 HydrophobicContact CD2-CD1 4.41Å; R200-L204 HydrophobicContact CB-CD2 4.41Å; R200-L204 HydrophobicContact CG-CD2 4.29Å; D201-L204 VanDerWaalsContact O-CB 3.23Å; D201-L204 WeakPolarHBondContact O-CB 3.17Å; D201-L204 PolarHBondContact O-N 3Å; D201-L204 WeakPolarHBondContact OD1-CB 3.45Å; D201-L204 WeakPolarHBondContact OD2-CA 3.33Å; D201-L204 PolarHBondContact OD2-N 3.06Å; L204-N206 PolarHBondContact O-N 3.39Å; L204-N207 WeakPolarHBondContact O-CB 2.97Å; L204-N207 PolarHBondContact O-N 3.38Å; L204-N207 VanDerWaalsContact O-N 3.1Å; L204-L208 HydrophobicContact CD1-CD1 4.09Å; L204-L208 HydrophobicContact CD1-CD2 4.05Å; L204-L208 HydrophobicContact CD1-CG 3.91Å; L204-L208 HydrophobicContact CG-CD1 4.06Å; L204-L208 HydrophobicContact CG-CG 4.22Å; L204-L208 VanDerWaalsContact O-CG 3.32Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 3.38Å; L204-A232 HydrophobicContact CD2-CB 4.32Å; L204-L235 HydrophobicContact CB-CD2 4.01Å; L204-L235 HydrophobicContact CD2-CD2 3.7Å; L204-L235 HydrophobicContact CG-CD2 3.62Å
205	E	95.8	Very high	94.1	Very high	64 Å²	64	43.2 Å²	43.2	30%	0.299	23%	0.233	S	C	.	.	H	α-helix	trans	-57.6	-50	-179.8	-179	159.1	-172.3	0	0	112.1	R200 N203 N207 L208 L209 L235 R238 L239	R200-E205 IonicContact NH2-OE2 3.59Å; N203-E205 VanDerWaalsContact C-N 3.32Å; N203-E205 PolarHBondContact O-N 3.18Å; E205-N207 PolarHBondContact O-N 3.28Å; E205-L208 PolarHBondContact O-N 3.09Å; E205-L209 VanDerWaalsContact O-CB 3.25Å; E205-L209 WeakPolarHBondContact O-CB 3.49Å; E205-L209 PolarHBondContact O-N 3.29Å; E205-L235 HydrophobicContact CB-CD1 3.9Å; E205-L235 HydrophobicContact CB-CD2 4.16Å; E205-L235 HydrophobicContact CG-CD1 3.92Å; E205-R238 IonicContact OE1-CZ 2.95Å; E205-R238 IonicContact OE1-NH1 2.85Å; E205-R238 PolarHBondContact OE1-NH1 2.93Å; E205-R238 IonicContact OE1-NH2 2.89Å; E205-R238 PolarHBondContact OE1-NH2 3.4Å; E205-R238 IonicContact OE2-CZ 2.75Å; E205-R238 IonicContact OE2-NH1 2.85Å; E205-R238 IonicContact OE2-NH2 3.26Å; E205-R238 PolarHBondContact OE2-NH2 2.94Å; E205-L239 HydrophobicContact CG-CD2 4.5Å
206	N	94.1	Very high	93.9	Very high	86 Å²	86	43.7 Å²	43.7	46%	0.46	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-33.3	177.1	-71.8	-32.6	0	0	0	112.6	N203 L204 S210	N203-N206 PolarHBondContact O-N 3.22Å; L204-N206 PolarHBondContact O-N 3.39Å; N206-S210 PolarHBondContact O-N 3.49Å
207	N	95.7	Very high	93.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.3	-48.9	176.4	-63.9	-20.9	0	0	0	111.1	N203 L204 E205 S210 F211 S283 L285 N447	N203-N207 PolarHBondContact O-N 3.42Å; N203-N207 PolarHBondContact O-ND2 3.41Å; N203-N207 PolarHBondContact O-OD1 2.88Å; L204-N207 WeakPolarHBondContact O-CB 2.97Å; L204-N207 PolarHBondContact O-N 3.38Å; L204-N207 VanDerWaalsContact O-N 3.1Å; E205-N207 PolarHBondContact O-N 3.28Å; N207-S210 WeakPolarHBondContact O-CB 3.43Å; N207-S210 PolarHBondContact O-N 3.12Å; N207-S210 PolarHBondContact O-OG 2.98Å; N207-F211 VanDerWaalsContact O-CD2 3.22Å; N207-F211 WeakPolarHBondContact O-CD2 3.4Å; N207-S283 WeakPolarHBondContact CB-O 3.17Å; N207-S283 PolarHBondContact ND2-O 3.04Å; N207-L285 WeakPolarHBondContact CB-O 3.2Å; N207-N447 PolarHBondContact ND2-ND2 3.34Å; N207-N447 PolarHBondContact OD1-ND2 3.05Å
208	L	97.5	Very high	93.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-42.4	179.4	-60.5	-173.7	0	0	0	111	K195 L197 L204 E205 S210 F211 F212 F223 L235 L239	K195-L208 HydrophobicContact CD-CD2 4.33Å; L197-L208 HydrophobicContact CD1-CD1 4.1Å; L197-L208 HydrophobicContact CD2-CD2 3.93Å; L204-L208 HydrophobicContact CD1-CD1 4.09Å; L204-L208 HydrophobicContact CD1-CD2 4.05Å; L204-L208 HydrophobicContact CD1-CG 3.91Å; L204-L208 HydrophobicContact CG-CD1 4.06Å; L204-L208 HydrophobicContact CG-CG 4.22Å; L204-L208 VanDerWaalsContact O-CG 3.32Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 3.38Å; E205-L208 PolarHBondContact O-N 3.09Å; L208-S210 PolarHBondContact O-N 2.82Å; L208-F211 WeakPolarHBondContact O-CB 3.45Å; L208-F211 PolarHBondContact O-N 2.95Å; L208-F212 WeakPolarHBondContact O-CD2 3.28Å; L208-F223 HydrophobicContact CD1-CE1 4.35Å; L208-F223 HydrophobicContact CD2-CD1 4.46Å; L208-F223 HydrophobicContact CD2-CE1 3.97Å; L208-L235 HydrophobicContact CD1-CD2 4.24Å; L208-L235 HydrophobicContact CD1-CG 4.4Å; L208-L239 HydrophobicContact CB-CD1 3.55Å; L208-L239 HydrophobicContact CD1-CD1 4.07Å; L208-L239 HydrophobicContact CG-CD1 4.44Å
209	L	97	Very high	93.7	Very high	43 Å²	43	48 Å²	48	23%	0.225	26%	0.259	C	S	.	.	H	α-helix	trans	-55.1	-36.4	176.8	-174.5	62.1	0	0	0	112.4	E205 F211 F212 Q213 H243	E205-L209 VanDerWaalsContact O-CB 3.25Å; E205-L209 WeakPolarHBondContact O-CB 3.49Å; E205-L209 PolarHBondContact O-N 3.29Å; L209-F211 PolarHBondContact O-N 3.08Å; L209-F212 PolarHBondContact O-N 2.93Å; L209-Q213 WeakPolarHBondContact O-CG 3.3Å; L209-Q213 PolarHBondContact O-N 3.47Å; L209-H243 WeakPolarHBondContact CD1-NE2 2.93Å
210	S	96.6	Very high	94	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-26.5	177.9	76.8	0	0	0	0	113.9	N206 N207 L208 Q213 M287	N206-S210 PolarHBondContact O-N 3.49Å; N207-S210 WeakPolarHBondContact O-CB 3.43Å; N207-S210 PolarHBondContact O-N 3.12Å; N207-S210 PolarHBondContact O-OG 2.98Å; L208-S210 PolarHBondContact O-N 2.82Å; S210-Q213 PolarHBondContact O-N 2.88Å; S210-M287 WeakPolarHBondContact CB-O 3.39Å; S210-M287 PolarHBondContact OG-N 3.36Å
211	F	97.8	Very high	94.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-78.1	-30.8	175.4	-70.7	-95.2	0	0	0	112.6	I193 N207 L208 L209 Q213 M214 L221 S281 L285 M287	I193-F211 HydrophobicContact CD1-CD1 4.28Å; I193-F211 HydrophobicContact CG2-CD1 4.05Å; I193-F211 HydrophobicContact CG2-CE1 4.13Å; N207-F211 VanDerWaalsContact O-CD2 3.22Å; N207-F211 WeakPolarHBondContact O-CD2 3.4Å; L208-F211 WeakPolarHBondContact O-CB 3.45Å; L208-F211 PolarHBondContact O-N 2.95Å; L209-F211 PolarHBondContact O-N 3.08Å; F211-Q213 PolarHBondContact O-N 3.33Å; F211-M214 HydrophobicContact CB-CE 4.19Å; F211-M214 HydrophobicContact CD1-CE 4.03Å; F211-M214 HydrophobicContact CD1-SD 3.94Å; F211-M214 WeakPolarHBondContact O-CE 3.32Å; F211-M214 WeakPolarHBondContact O-CG 3.44Å; F211-L221 HydrophobicContact CB-CD1 3.98Å; F211-L221 HydrophobicContact CB-CD2 3.86Å; F211-L221 HydrophobicContact CD1-CD2 4.34Å; F211-L221 HydrophobicContact CG-CD2 4.49Å; F211-S281 VanDerWaalsContact CZ-OG 3.29Å; F211-S281 WeakPolarHBondContact CZ-OG 3.2Å; F211-L285 HydrophobicContact CZ-CD2 4.29Å; F211-M287 HydrophobicContact CD1-CB 4.42Å; F211-M287 HydrophobicContact CD2-CB 4.29Å; F211-M287 HydrophobicContact CE1-CB 3.94Å; F211-M287 HydrophobicContact CE1-CE 3.7Å; F211-M287 HydrophobicContact CE1-CG 4.12Å; F211-M287 HydrophobicContact CE2-CB 3.76Å; F211-M287 HydrophobicContact CZ-CB 3.55Å; F211-M287 HydrophobicContact CZ-CE 3.82Å; F211-M287 HydrophobicContact CZ-CG 4.16Å
212	F	97.3	Very high	94.9	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-71.3	-18.9	172.8	-69.2	-84.8	0	0	0	112.5	L208 L209 L221 F223 L239 I240 H243 V246 A248	L208-F212 WeakPolarHBondContact O-CD2 3.28Å; L209-F212 PolarHBondContact O-N 2.93Å; F212-L221 HydrophobicContact CD1-CD1 3.91Å; F212-L221 HydrophobicContact CD2-CD1 4.15Å; F212-L221 HydrophobicContact CE1-CD1 3.84Å; F212-L221 HydrophobicContact CE2-CD1 4.07Å; F212-L221 HydrophobicContact CG-CD1 4.09Å; F212-L221 HydrophobicContact CZ-CD1 3.94Å; F212-F223 HydrophobicContact CE2-CE2 4.24Å; F212-F223 AromaticContact CE2-CZ 3.7Å; F212-F223 HydrophobicContact CE2-CZ 3.7Å; F212-F223 AromaticContact CZ-CE2 3.8Å; F212-F223 HydrophobicContact CZ-CE2 3.8Å; F212-F223 AromaticContact CZ-CZ 3.72Å; F212-F223 HydrophobicContact CZ-CZ 3.72Å; F212-L239 HydrophobicContact CE2-CB 3.72Å; F212-L239 HydrophobicContact CE2-CD1 4.27Å; F212-L239 HydrophobicContact CZ-CB 3.98Å; F212-I240 HydrophobicContact CZ-CG1 4.36Å; F212-H243 HydrophobicContact CB-CB 4.26Å; F212-H243 HydrophobicContact CD1-CB 3.34Å; F212-H243 AromaticContact CD1-CG 3.85Å; F212-H243 HydrophobicContact CE1-CB 3.82Å; F212-H243 HydrophobicContact CG-CB 3.97Å; F212-H243 AromaticContact CG-CG 3.95Å; F212-V246 HydrophobicContact CB-CG2 4.48Å; F212-V246 HydrophobicContact CD1-CB 3.82Å; F212-V246 HydrophobicContact CD1-CG1 4.05Å; F212-V246 HydrophobicContact CD1-CG2 3.97Å; F212-V246 HydrophobicContact CE1-CB 4.3Å; F212-V246 HydrophobicContact CE1-CG1 4.43Å; F212-A248 HydrophobicContact CE1-CB 3.88Å; F212-A248 HydrophobicContact CZ-CB 4.26Å
213	Q	95	Very high	95.4	Very high	115 Å²	115	32.4 Å²	32.4	54%	0.537	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	12.8	-178.3	-64	174.5	-14.8	0	0	113.6	L209 S210 F211	L209-Q213 WeakPolarHBondContact O-CG 3.3Å; L209-Q213 PolarHBondContact O-N 3.47Å; S210-Q213 PolarHBondContact O-N 2.88Å; F211-Q213 PolarHBondContact O-N 3.33Å
214	M	93.7	Very high	95.8	Very high	15 Å²	15	29.6 Å²	29.6	7%	0.074	16%	0.157	C	C	.	.			trans	-68.8	140	-178.3	-68.5	-175.6	-62.3	0	0	112.4	I193 F211 Y216 F219 L221 M287 L292	I193-M214 HydrophobicContact CD1-CE 3.15Å; I193-M214 HydrophobicContact CD1-SD 4.05Å; F211-M214 HydrophobicContact CB-CE 4.19Å; F211-M214 HydrophobicContact CD1-CE 4.03Å; F211-M214 HydrophobicContact CD1-SD 3.94Å; F211-M214 WeakPolarHBondContact O-CE 3.32Å; F211-M214 WeakPolarHBondContact O-CG 3.44Å; M214-Y216 VanDerWaalsContact C-N 3.27Å; M214-Y216 PolarHBondContact O-N 2.89Å; M214-Y216 VanDerWaalsContact O-N 3.12Å; M214-F219 HydrophobicContact CB-CE1 4.29Å; M214-F219 HydrophobicContact CB-CZ 4.2Å; M214-F219 HydrophobicContact CE-CD1 4.36Å; M214-F219 HydrophobicContact CE-CD2 3.46Å; M214-F219 VanDerWaalsContact CE-CD2 3.46Å; M214-F219 HydrophobicContact CE-CE1 4.18Å; M214-F219 HydrophobicContact CE-CE2 3.23Å; M214-F219 HydrophobicContact CE-CG 4.03Å; M214-F219 HydrophobicContact CE-CZ 3.62Å; M214-L221 HydrophobicContact CE-CD2 4.21Å; M214-M287 HydrophobicContact SD-CG 4.15Å; M214-L292 HydrophobicContact CE-CD2 4.13Å; M214-L292 HydrophobicContact SD-CB 4.11Å; M214-L292 HydrophobicContact SD-CD2 4.11Å
215	D	90.5	Very high	95.9	Very high	114 Å²	114	29.6 Å²	29.6	61%	0.61	16%	0.157	S	C	*	.			trans	-88	68.2	173.9	-173.4	17.6	0	0	0	109.4	S289	D215-S289 PolarHBondContact N-O 3.29Å
216	Y	93.1	Very high	95.8	Very high	10 Å²	10	29.8 Å²	29.8	4%	0.039	16%	0.162	C	C	.	.			trans	-142	131.2	177.9	-163.1	-99.1	0	0	0	111.7	W188 P189 V191 M214 T218 F219 L292 M293 V296	W188-Y216 HydrophobicContact CB-CE1 4.45Å; W188-Y216 HydrophobicContact CB-CE2 4.38Å; W188-Y216 HydrophobicContact CD2-CE2 4.21Å; W188-Y216 AromaticContact CE3-CE2 3.91Å; W188-Y216 HydrophobicContact CE3-CE2 3.91Å; W188-Y216 HydrophobicContact CG-CE2 4.43Å; P189-Y216 WeakPolarHBondContact CD-OH 3.08Å; P189-Y216 WeakPolarHBondContact O-CE1 3.22Å; P189-Y216 PolarHBondContact O-OH 3.26Å; V191-Y216 HydrophobicContact CG2-CE1 3.99Å; M214-Y216 VanDerWaalsContact C-N 3.27Å; M214-Y216 PolarHBondContact O-N 2.89Å; M214-Y216 VanDerWaalsContact O-N 3.12Å; Y216-T218 VanDerWaalsContact CE1-O 3.28Å; Y216-T218 WeakPolarHBondContact CE1-O 3.28Å; Y216-T218 PolarHBondContact O-N 2.85Å; Y216-F219 HydrophobicContact CD1-CB 4.27Å; Y216-F219 HydrophobicContact CD1-CD1 4.19Å; Y216-F219 VanDerWaalsContact O-CD1 3.31Å; Y216-F219 WeakPolarHBondContact O-CD1 3.34Å; Y216-F219 VanDerWaalsContact O-CE1 3.29Å; Y216-F219 WeakPolarHBondContact O-CE1 3.16Å; Y216-L292 HydrophobicContact CD1-CD2 3.69Å; Y216-L292 HydrophobicContact CD1-CG 4.23Å; Y216-L292 HydrophobicContact CD2-CB 4.5Å; Y216-L292 HydrophobicContact CD2-CD2 4.29Å; Y216-L292 HydrophobicContact CD2-CG 4.03Å; Y216-L292 HydrophobicContact CE1-CD2 4.38Å; Y216-L292 HydrophobicContact CE2-CG 4.48Å; Y216-L292 HydrophobicContact CG-CB 4.48Å; Y216-L292 HydrophobicContact CG-CD2 3.63Å; Y216-L292 HydrophobicContact CG-CG 3.89Å; Y216-M293 HydrophobicContact CD2-CB 4.23Å; Y216-M293 HydrophobicContact CD2-CE 3.72Å; Y216-M293 HydrophobicContact CD2-SD 3.81Å; Y216-M293 HydrophobicContact CE2-CE 4.15Å; Y216-M293 HydrophobicContact CE2-SD 3.77Å; Y216-V296 HydrophobicContact CE2-CB 4.23Å; Y216-V296 HydrophobicContact CE2-CG2 4.13Å; Y216-V296 WeakPolarHBondContact OH-CG1 3.42Å
217	P	90.4	Very high	95.6	Very high	86 Å²	86	30 Å²	30	56%	0.558	16%	0.164	S	C	*	.	S	Bend	trans	-71.5	-30.6	-167.9	-26.1	37.5	0	0	0	116.7	W188	W188-P217 HydrophobicContact CG-CG 4.24Å
218	T	93.3	Very high	95.5	Very high	55 Å²	55	36 Å²	36	34%	0.337	19%	0.19	S	C	.	.	S	Bend	trans	-141.9	98.9	-171.8	-52.7	0	0	0	0	110.5	G190 V191 Y216 Y275	G190-T218 VanDerWaalsContact CA-O 3.31Å; G190-T218 WeakPolarHBondContact CA-O 3.26Å; V191-T218 PolarHBondContact N-O 3.3Å; Y216-T218 VanDerWaalsContact CE1-O 3.28Å; Y216-T218 WeakPolarHBondContact CE1-O 3.28Å; Y216-T218 PolarHBondContact O-N 2.85Å; T218-Y275 HydrophobicContact CG2-CE1 4.05Å; T218-Y275 WeakPolarHBondContact CG2-OH 3.21Å
219	F	97.7	Very high	95.4	Very high	23 Å²	23	43.8 Å²	43.8	10%	0.101	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.7	174	66.5	-83.7	0	0	0	110.4	V191 I193 M214 Y216 L221 V246 L292	V191-F219 HydrophobicContact CB-CB 4.41Å; V191-F219 CarbonylContact O-C 3.47Å; V191-F219 WeakPolarHBondContact O-CA 3.2Å; V191-F219 WeakPolarHBondContact O-CB 3.46Å; I193-F219 HydrophobicContact CD1-CB 4.35Å; I193-F219 HydrophobicContact CD1-CD2 3.84Å; I193-F219 HydrophobicContact CD1-CG 4.35Å; M214-F219 HydrophobicContact CB-CE1 4.29Å; M214-F219 HydrophobicContact CB-CZ 4.2Å; M214-F219 HydrophobicContact CE-CD1 4.36Å; M214-F219 HydrophobicContact CE-CD2 3.46Å; M214-F219 VanDerWaalsContact CE-CD2 3.46Å; M214-F219 HydrophobicContact CE-CE1 4.18Å; M214-F219 HydrophobicContact CE-CE2 3.23Å; M214-F219 HydrophobicContact CE-CG 4.03Å; M214-F219 HydrophobicContact CE-CZ 3.62Å; Y216-F219 HydrophobicContact CD1-CB 4.27Å; Y216-F219 HydrophobicContact CD1-CD1 4.19Å; Y216-F219 VanDerWaalsContact O-CD1 3.31Å; Y216-F219 WeakPolarHBondContact O-CD1 3.34Å; Y216-F219 VanDerWaalsContact O-CE1 3.29Å; Y216-F219 WeakPolarHBondContact O-CE1 3.16Å; F219-L221 HydrophobicContact CD2-CD2 3.96Å; F219-L221 HydrophobicContact CD2-CG 4.21Å; F219-L221 HydrophobicContact CE2-CD1 4.34Å; F219-L221 HydrophobicContact CE2-CD2 3.91Å; F219-L221 HydrophobicContact CE2-CG 3.96Å; F219-V246 HydrophobicContact CD2-CG1 4.43Å; F219-V246 HydrophobicContact CE2-CG1 3.55Å; F219-V246 HydrophobicContact CZ-CG1 3.85Å; F219-V246 HydrophobicContact CZ-CG2 4.48Å; F219-L292 HydrophobicContact CB-CD2 4.14Å; F219-L292 HydrophobicContact CG-CD2 4.34Å
220	E	98.2	Very high	95.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.5	169.6	65.6	179.9	161	0	0	110.8	V191 S192 I193 L222 D247 K274 Y275	V191-E220 PolarHBondContact O-N 2.9Å; S192-E220 VanDerWaalsContact CB-OE1 3.23Å; S192-E220 WeakPolarHBondContact CB-OE1 3.24Å; S192-E220 PolarHBondContact OG-OE1 3.48Å; I193-E220 WeakPolarHBondContact CB-O 3.33Å; I193-E220 PolarHBondContact N-O 3.05Å; E220-L222 HydrophobicContact CG-CD2 4.39Å; E220-L222 HydrophobicContact CG-CG 4.32Å; E220-D247 CarbonylContact C-O 3.55Å; E220-D247 WeakPolarHBondContact CA-O 3.49Å; E220-D247 HydrophobicContact CB-CB 4.2Å; E220-K274 WeakPolarHBondContact OE1-CB 3.32Å; E220-K274 PolarHBondContact OE1-N 2.73Å; E220-K274 WeakPolarHBondContact OE2-CD 3.3Å; E220-K274 WeakPolarHBondContact OE2-CE 3.19Å; E220-K274 VanDerWaalsContact OE2-CG 3.29Å; E220-K274 WeakPolarHBondContact OE2-CG 3.09Å; E220-K274 IonicContact OE2-NZ 2.92Å; E220-Y275 HydrophobicContact CB-CE2 4.09Å; E220-Y275 HydrophobicContact CG-CD2 3.92Å; E220-Y275 HydrophobicContact CG-CE2 3.84Å
221	L	98.5	Very high	95.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.6	175.1	-59.1	-178.9	0	0	0	110.3	I193 F211 F212 M214 F219 F223 V246 D247 A248 Q249	I193-L221 HydrophobicContact CB-CD2 3.84Å; I193-L221 HydrophobicContact CD1-CD2 3.7Å; I193-L221 HydrophobicContact CG1-CD2 4.2Å; I193-L221 HydrophobicContact CG2-CD2 4.14Å; F211-L221 HydrophobicContact CB-CD1 3.98Å; F211-L221 HydrophobicContact CB-CD2 3.86Å; F211-L221 HydrophobicContact CD1-CD2 4.34Å; F211-L221 HydrophobicContact CG-CD2 4.49Å; F212-L221 HydrophobicContact CD1-CD1 3.91Å; F212-L221 HydrophobicContact CD2-CD1 4.15Å; F212-L221 HydrophobicContact CE1-CD1 3.84Å; F212-L221 HydrophobicContact CE2-CD1 4.07Å; F212-L221 HydrophobicContact CG-CD1 4.09Å; F212-L221 HydrophobicContact CZ-CD1 3.94Å; M214-L221 HydrophobicContact CE-CD2 4.21Å; F219-L221 HydrophobicContact CD2-CD2 3.96Å; F219-L221 HydrophobicContact CD2-CG 4.21Å; F219-L221 HydrophobicContact CE2-CD1 4.34Å; F219-L221 HydrophobicContact CE2-CD2 3.91Å; F219-L221 HydrophobicContact CE2-CG 3.96Å; L221-F223 HydrophobicContact CB-CE2 4.17Å; L221-F223 HydrophobicContact CB-CZ 4.12Å; L221-F223 HydrophobicContact CD1-CZ 4.12Å; L221-V246 HydrophobicContact CD1-CG1 3.89Å; L221-V246 HydrophobicContact CG-CG1 4.1Å; L221-D247 PolarHBondContact N-O 2.77Å; L221-A248 HydrophobicContact CB-CB 3.89Å; L221-A248 HydrophobicContact CD1-CB 4.48Å; L221-A248 WeakPolarHBondContact O-CA 3.24Å; L221-Q249 PolarHBondContact O-N 2.79Å
222	L	98.5	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	96.2	178.1	-55.8	-176.4	0	0	0	109.5	I193 L194 K195 E220 C224 Q249 I251 G269 A272	I193-L222 PolarHBondContact O-N 3.43Å; L194-L222 HydrophobicContact CD2-CB 4.21Å; L194-L222 HydrophobicContact CD2-CD1 3.72Å; L194-L222 HydrophobicContact CD2-CG 4.41Å; K195-L222 PolarHBondContact N-O 3.41Å; E220-L222 HydrophobicContact CG-CD2 4.39Å; E220-L222 HydrophobicContact CG-CG 4.32Å; L222-C224 PolarHBondContact O-N 3.24Å; L222-C224 PolarHBondContact O-SG 3.35Å; L222-Q249 HydrophobicContact CD2-CG 3.43Å; L222-Q249 VanDerWaalsContact CD2-CG 3.43Å; L222-I251 HydrophobicContact CB-CG1 4.36Å; L222-I251 HydrophobicContact CD2-CG1 4.41Å; L222-G269 WeakPolarHBondContact CD1-O 3.36Å; L222-A272 HydrophobicContact CD1-CB 4.4Å
223	F	98.4	Very high	95.1	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	105	174.9	-58.7	-66.8	0	0	0	109.2	K195 L197 L208 F212 L221 A236 I240 A248 Q249 I250 I251	K195-F223 HydrophobicContact CB-CD1 3.73Å; K195-F223 HydrophobicContact CB-CE1 4.2Å; K195-F223 HydrophobicContact CG-CD1 4.3Å; K195-F223 HydrophobicContact CG-CE1 4.27Å; L197-F223 HydrophobicContact CD1-CB 4.1Å; L197-F223 HydrophobicContact CD1-CD1 3.83Å; L197-F223 HydrophobicContact CD1-CG 4.29Å; L197-F223 HydrophobicContact CG-CD1 4.49Å; L208-F223 HydrophobicContact CD1-CE1 4.35Å; L208-F223 HydrophobicContact CD2-CD1 4.46Å; L208-F223 HydrophobicContact CD2-CE1 3.97Å; F212-F223 HydrophobicContact CE2-CE2 4.24Å; F212-F223 AromaticContact CE2-CZ 3.7Å; F212-F223 HydrophobicContact CE2-CZ 3.7Å; F212-F223 AromaticContact CZ-CE2 3.8Å; F212-F223 HydrophobicContact CZ-CE2 3.8Å; F212-F223 AromaticContact CZ-CZ 3.72Å; F212-F223 HydrophobicContact CZ-CZ 3.72Å; L221-F223 HydrophobicContact CB-CE2 4.17Å; L221-F223 HydrophobicContact CB-CZ 4.12Å; L221-F223 HydrophobicContact CD1-CZ 4.12Å; F223-A236 HydrophobicContact CB-CB 4.22Å; F223-A236 HydrophobicContact CD2-CB 4.06Å; F223-A236 HydrophobicContact CG-CB 4.04Å; F223-I240 HydrophobicContact CD2-CD1 4.03Å; F223-I240 HydrophobicContact CD2-CG1 4.35Å; F223-I240 HydrophobicContact CE2-CD1 4.22Å; F223-I240 HydrophobicContact CE2-CG1 4.03Å; F223-A248 HydrophobicContact CE2-CB 4.3Å; F223-Q249 PolarHBondContact N-O 3.24Å; F223-I250 HydrophobicContact CB-CG1 4.4Å; F223-I250 CarbonylContact O-C 3.51Å; F223-I250 WeakPolarHBondContact O-CA 3.3Å; F223-I251 PolarHBondContact O-N 3.24Å
224	C	97.8	Very high	95.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.1	-173.7	-56	0	0	0	0	109.4	K195 P196 L197 L222 I251 N265 G269	K195-C224 PolarHBondContact O-N 2.94Å; P196-C224 WeakPolarHBondContact CA-O 3.25Å; L197-C224 PolarHBondContact N-O 3.46Å; L222-C224 PolarHBondContact O-N 3.24Å; L222-C224 PolarHBondContact O-SG 3.35Å; C224-I251 WeakPolarHBondContact CA-O 3.2Å; C224-N265 HydrophobicContact CB-CB 3.7Å; C224-N265 WeakPolarHBondContact CB-O 3.3Å; C224-N265 PolarHBondContact O-ND2 3.08Å; C224-N265 PolarHBondContact SG-O 3.16Å; C224-N265 VanDerWaalsContact SG-O 3.41Å; C224-G269 VanDerWaalsContact SG-CA 3.5Å
225	I	96.7	Very high	95.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.7	-172.4	-48.9	-174.8	0	0	0	108.6	L197 D227 D230 A232 Y233 I250 I251 I252 A253	L197-I225 HydrophobicContact CB-CG1 4.18Å; L197-I225 HydrophobicContact CD1-CD1 4.24Å; L197-I225 HydrophobicContact CD1-CG1 4.47Å; I225-D227 WeakPolarHBondContact CG2-O 3.13Å; I225-D230 HydrophobicContact CG2-CB 3.86Å; I225-A232 HydrophobicContact CD1-CB 4.32Å; I225-Y233 HydrophobicContact CD1-CD2 4.39Å; I225-I250 HydrophobicContact CD1-CG2 3.99Å; I225-I250 HydrophobicContact CG1-CG2 4.24Å; I225-I251 PolarHBondContact N-O 2.79Å; I225-I252 CarbonylContact O-C 3.59Å; I225-I252 VanDerWaalsContact O-CA 3.29Å; I225-I252 WeakPolarHBondContact O-CA 3.44Å; I225-A253 PolarHBondContact O-N 3.13Å
226	T	93.1	Very high	95.7	Very high	67 Å²	67	42.1 Å²	42.1	41%	0.411	22%	0.218	S	C	.	.	S	Bend	trans	-83.5	-41.3	-179.8	-49.5	0	0	0	0	112.3	N265	T226-N265 PolarHBondContact OG1-OD1 2.89Å
227	D	91.8	Very high	95.9	Very high	92 Å²	92	46.1 Å²	46.1	49%	0.492	24%	0.237	S	C	.	.			trans	-128	142.9	-173.9	-164.3	-14.3	0	0	0	110.5	I225 E229 D230	I225-D227 WeakPolarHBondContact CG2-O 3.13Å; D227-E229 VanDerWaalsContact C-N 3.26Å; D227-E229 PolarHBondContact OD1-N 2.62Å; D227-E229 VanDerWaalsContact OD1-N 3.13Å; D227-D230 WeakPolarHBondContact O-CB 3.33Å; D227-D230 PolarHBondContact O-N 3.17Å
228	K	93.6	Very high	96.2	Very high	125 Å²	125	45.5 Å²	45.5	54%	0.543	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.2	175	-69.3	-172.6	174	-170.1	0	112.3	D230 Y233 I252	K228-D230 PolarHBondContact O-N 2.7Å; K228-Y233 HydrophobicContact CB-CD2 4.41Å; K228-Y233 HydrophobicContact CG-CD2 4.27Å; K228-Y233 HydrophobicContact CG-CE2 4.01Å; K228-Y233 WeakPolarHBondContact O-CB 3.37Å; K228-I252 HydrophobicContact CG-CD1 3.98Å; K228-I252 HydrophobicContact CG-CG1 4.42Å
229	E	94.7	Very high	96.5	Very high	164 Å²	164	43 Å²	43	77%	0.766	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-5	175.9	-55.1	-54.2	139.7	0	0	112.8	D227	D227-E229 VanDerWaalsContact C-N 3.26Å; D227-E229 PolarHBondContact OD1-N 2.62Å; D227-E229 VanDerWaalsContact OD1-N 3.13Å
230	D	94.3	Very high	96.5	Very high	29 Å²	29	43.8 Å²	43.8	16%	0.155	21%	0.213	C	C	.	.	S	Bend	trans	-67.6	129.6	175.5	-168.6	-58.3	0	0	0	109.7	S198 G199 I225 D227 K228 A232 Y233	S198-D230 WeakPolarHBondContact CA-OD2 3.43Å; G199-D230 WeakPolarHBondContact CA-OD1 3.12Å; G199-D230 VanDerWaalsContact N-CG 3.33Å; G199-D230 PolarHBondContact N-OD1 3.46Å; G199-D230 PolarHBondContact N-OD2 3.22Å; I225-D230 HydrophobicContact CG2-CB 3.86Å; D227-D230 WeakPolarHBondContact O-CB 3.33Å; D227-D230 PolarHBondContact O-N 3.17Å; K228-D230 PolarHBondContact O-N 2.7Å; D230-A232 PolarHBondContact O-N 3.08Å; D230-A232 WeakPolarHBondContact OD1-CB 3.2Å; D230-A232 PolarHBondContact OD1-N 3.07Å; D230-Y233 WeakPolarHBondContact O-CB 3.39Å; D230-Y233 PolarHBondContact O-N 3.37Å
231	P	94.6	Very high	96.5	Very high	63 Å²	63	48.8 Å²	48.8	41%	0.409	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-13.5	-179	26.2	-36.8	0	0	0	114.1	R200 Y233	R200-P231 HydrophobicContact CB-CB 3.97Å; R200-P231 HydrophobicContact CB-CG 4.01Å; P231-Y233 VanDerWaalsContact C-N 3.29Å
232	A	95.9	Very high	96.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-27.1	168.7	0	0	0	0	0	113.2	L197 L204 I225 D230 A236	L197-A232 HydrophobicContact CB-CB 3.78Å; L197-A232 HydrophobicContact CD1-CB 4.14Å; L204-A232 HydrophobicContact CD2-CB 4.32Å; I225-A232 HydrophobicContact CD1-CB 4.32Å; D230-A232 PolarHBondContact O-N 3.08Å; D230-A232 WeakPolarHBondContact OD1-CB 3.2Å; D230-A232 PolarHBondContact OD1-N 3.07Å; A232-A236 WeakPolarHBondContact O-CB 3.48Å; A232-A236 PolarHBondContact O-N 3.4Å
233	Y	97.4	Very high	96.4	Very high	47 Å²	47	55.5 Å²	55.5	18%	0.184	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-55.5	-178.8	-178.6	-81.2	0	0	0	111.1	I225 K228 D230 P231 L235 A236 E237 I250 I252	I225-Y233 HydrophobicContact CD1-CD2 4.39Å; K228-Y233 HydrophobicContact CB-CD2 4.41Å; K228-Y233 HydrophobicContact CG-CD2 4.27Å; K228-Y233 HydrophobicContact CG-CE2 4.01Å; K228-Y233 WeakPolarHBondContact O-CB 3.37Å; D230-Y233 WeakPolarHBondContact O-CB 3.39Å; D230-Y233 PolarHBondContact O-N 3.37Å; P231-Y233 VanDerWaalsContact C-N 3.29Å; Y233-L235 VanDerWaalsContact C-N 3.28Å; Y233-L235 PolarHBondContact O-N 2.88Å; Y233-A236 PolarHBondContact O-N 3.45Å; Y233-A236 VanDerWaalsContact O-N 3.12Å; Y233-E237 PolarHBondContact O-N 3.43Å; Y233-E237 PolarHBondContact OH-OE1 3.32Å; Y233-I250 HydrophobicContact CD2-CD1 4.08Å; Y233-I250 HydrophobicContact CD2-CG2 3.88Å; Y233-I250 HydrophobicContact CE1-CD1 4.49Å; Y233-I250 HydrophobicContact CE2-CB 4.46Å; Y233-I250 HydrophobicContact CE2-CD1 3.89Å; Y233-I250 HydrophobicContact CE2-CG2 3.84Å; Y233-I250 HydrophobicContact CG-CD1 4.45Å; Y233-I252 HydrophobicContact CD2-CD1 4.12Å; Y233-I252 HydrophobicContact CE2-CD1 4.07Å
234	E	96.4	Very high	96.3	Very high	121 Å²	121	60.8 Å²	60.8	57%	0.565	31%	0.309	S	S	*	.	H	α-helix	trans	-57.4	-42.4	-179.9	-172.5	-161.6	159.8	0	0	111.4	E237 R238	E234-E237 PolarHBondContact O-N 3.23Å; E234-R238 WeakPolarHBondContact O-CB 3.5Å; E234-R238 PolarHBondContact O-N 3.33Å
235	L	97	Very high	96.2	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-45.2	177.2	175.7	62.2	0	0	0	112	L204 E205 L208 Y233 R238 L239	L204-L235 HydrophobicContact CB-CD2 4.01Å; L204-L235 HydrophobicContact CD2-CD2 3.7Å; L204-L235 HydrophobicContact CG-CD2 3.62Å; E205-L235 HydrophobicContact CB-CD1 3.9Å; E205-L235 HydrophobicContact CB-CD2 4.16Å; E205-L235 HydrophobicContact CG-CD1 3.92Å; L208-L235 HydrophobicContact CD1-CD2 4.24Å; L208-L235 HydrophobicContact CD1-CG 4.4Å; Y233-L235 VanDerWaalsContact C-N 3.28Å; Y233-L235 PolarHBondContact O-N 2.88Å; L235-R238 PolarHBondContact O-N 2.98Å; L235-L239 HydrophobicContact CD1-CD1 4.16Å; L235-L239 HydrophobicContact CD1-CG 4.26Å; L235-L239 HydrophobicContact CG-CD1 4.28Å; L235-L239 WeakPolarHBondContact O-CG 3.15Å; L235-L239 PolarHBondContact O-N 3.41Å
236	A	97.6	Very high	96.2	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.2	-43.4	178.1	0	0	0	0	0	111.4	L197 F223 A232 Y233 R238 L239 I240 I250	L197-A236 HydrophobicContact CD1-CB 4.45Å; F223-A236 HydrophobicContact CB-CB 4.22Å; F223-A236 HydrophobicContact CD2-CB 4.06Å; F223-A236 HydrophobicContact CG-CB 4.04Å; A232-A236 WeakPolarHBondContact O-CB 3.48Å; A232-A236 PolarHBondContact O-N 3.4Å; Y233-A236 PolarHBondContact O-N 3.45Å; Y233-A236 VanDerWaalsContact O-N 3.12Å; A236-R238 PolarHBondContact O-N 3.24Å; A236-L239 PolarHBondContact O-N 2.88Å; A236-I240 VanDerWaalsContact O-CG1 3.24Å; A236-I240 WeakPolarHBondContact O-CG1 3.25Å; A236-I240 PolarHBondContact O-N 3.06Å; A236-I250 HydrophobicContact CB-CD1 3.97Å; A236-I250 HydrophobicContact CB-CG1 4.14Å
237	E	97.7	Very high	96.4	Very high	94 Å²	94	68.2 Å²	68.2	44%	0.439	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-44.3	178.7	-173.4	174.7	-107.7	0	0	111.7	Y233 E234 I240 T241 I250	Y233-E237 PolarHBondContact O-N 3.43Å; Y233-E237 PolarHBondContact OH-OE1 3.32Å; E234-E237 PolarHBondContact O-N 3.23Å; E237-I240 PolarHBondContact O-N 3.26Å; E237-T241 PolarHBondContact O-N 3.31Å; E237-T241 PolarHBondContact O-OG1 2.9Å; E237-I250 HydrophobicContact CB-CD1 4Å
238	R	97.7	Very high	96.7	Very high	74 Å²	74	64.6 Å²	64.6	28%	0.279	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-45.9	175.2	-178.6	169.2	57.9	84.4	-12	112.2	E205 E234 L235 A236 T241 Q242	E205-R238 IonicContact OE1-CZ 2.95Å; E205-R238 IonicContact OE1-NH1 2.85Å; E205-R238 PolarHBondContact OE1-NH1 2.93Å; E205-R238 IonicContact OE1-NH2 2.89Å; E205-R238 PolarHBondContact OE1-NH2 3.4Å; E205-R238 IonicContact OE2-CZ 2.75Å; E205-R238 IonicContact OE2-NH1 2.85Å; E205-R238 IonicContact OE2-NH2 3.26Å; E205-R238 PolarHBondContact OE2-NH2 2.94Å; E234-R238 WeakPolarHBondContact O-CB 3.5Å; E234-R238 PolarHBondContact O-N 3.33Å; L235-R238 PolarHBondContact O-N 2.98Å; A236-R238 PolarHBondContact O-N 3.24Å; R238-T241 PolarHBondContact O-N 3.18Å; R238-Q242 WeakPolarHBondContact O-CG 3.49Å; R238-Q242 PolarHBondContact O-N 2.94Å
239	L	98	Very high	96.9	Very high	2 Å²	2	62 Å²	62	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-66.5	-39.3	179.4	-70.7	175.7	0	0	0	112.2	E205 L208 F212 L235 A236 T241 Q242 H243	E205-L239 HydrophobicContact CG-CD2 4.5Å; L208-L239 HydrophobicContact CB-CD1 3.55Å; L208-L239 HydrophobicContact CD1-CD1 4.07Å; L208-L239 HydrophobicContact CG-CD1 4.44Å; F212-L239 HydrophobicContact CE2-CB 3.72Å; F212-L239 HydrophobicContact CE2-CD1 4.27Å; F212-L239 HydrophobicContact CZ-CB 3.98Å; L235-L239 HydrophobicContact CD1-CD1 4.16Å; L235-L239 HydrophobicContact CD1-CG 4.26Å; L235-L239 HydrophobicContact CG-CD1 4.28Å; L235-L239 WeakPolarHBondContact O-CG 3.15Å; L235-L239 PolarHBondContact O-N 3.41Å; A236-L239 PolarHBondContact O-N 2.88Å; L239-T241 VanDerWaalsContact C-N 3.3Å; L239-T241 PolarHBondContact O-N 3.18Å; L239-Q242 PolarHBondContact O-N 3.45Å; L239-H243 PolarHBondContact O-CD2 3.01Å; L239-H243 VanDerWaalsContact O-CD2 3.27Å; L239-H243 PolarHBondContact O-N 3.45Å
240	I	98.2	Very high	97.1	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.205	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-46.4	173.5	-68.9	164.7	0	0	0	110.3	F212 F223 A236 E237 Q242 H243 A248 I250	F212-I240 HydrophobicContact CZ-CG1 4.36Å; F223-I240 HydrophobicContact CD2-CD1 4.03Å; F223-I240 HydrophobicContact CD2-CG1 4.35Å; F223-I240 HydrophobicContact CE2-CD1 4.22Å; F223-I240 HydrophobicContact CE2-CG1 4.03Å; A236-I240 VanDerWaalsContact O-CG1 3.24Å; A236-I240 WeakPolarHBondContact O-CG1 3.25Å; A236-I240 PolarHBondContact O-N 3.06Å; E237-I240 PolarHBondContact O-N 3.26Å; I240-Q242 VanDerWaalsContact C-N 3.3Å; I240-Q242 PolarHBondContact O-N 2.69Å; I240-H243 CarbonylContact O-C 3.56Å; I240-H243 PolarHBondContact O-N 3.09Å; I240-A248 HydrophobicContact CG1-CB 3.83Å; I240-I250 HydrophobicContact CD1-CD1 4.26Å; I240-I250 HydrophobicContact CD1-CG1 3.72Å
241	T	98	Very high	97.2	Very high	105 Å²	105	55.8 Å²	55.8	64%	0.644	29%	0.286	S	S	*	.	H	α-helix	trans	-62.9	-36.9	179.4	-55.8	0	0	0	0	112.2	E237 R238 L239	E237-T241 PolarHBondContact O-N 3.31Å; E237-T241 PolarHBondContact O-OG1 2.9Å; R238-T241 PolarHBondContact O-N 3.18Å; L239-T241 VanDerWaalsContact C-N 3.3Å; L239-T241 PolarHBondContact O-N 3.18Å
242	Q	97.8	Very high	97.4	Very high	108 Å²	108	55.2 Å²	55.2	51%	0.505	28%	0.279	S	S	.	.	H	α-helix	trans	-75.3	-22.6	178.7	-72.6	176.9	-13.4	0	0	113.5	R238 L239 I240 P244	R238-Q242 WeakPolarHBondContact O-CG 3.49Å; R238-Q242 PolarHBondContact O-N 2.94Å; L239-Q242 PolarHBondContact O-N 3.45Å; I240-Q242 VanDerWaalsContact C-N 3.3Å; I240-Q242 PolarHBondContact O-N 2.69Å; Q242-P244 VanDerWaalsContact C-CD 3.41Å; Q242-P244 WeakPolarHBondContact O-CD 3.3Å
243	H	97.7	Very high	97.2	Very high	33 Å²	33	55.5 Å²	55.5	15%	0.153	28%	0.282	C	S	.	.			trans	-125.2	61.5	-175.4	-63.2	-84.3	0	0	0	112.8	L209 F212 L239 I240 H245 V246	L209-H243 WeakPolarHBondContact CD1-NE2 2.93Å; F212-H243 HydrophobicContact CB-CB 4.26Å; F212-H243 HydrophobicContact CD1-CB 3.34Å; F212-H243 AromaticContact CD1-CG 3.85Å; F212-H243 HydrophobicContact CE1-CB 3.82Å; F212-H243 HydrophobicContact CG-CB 3.97Å; F212-H243 AromaticContact CG-CG 3.95Å; L239-H243 PolarHBondContact O-CD2 3.01Å; L239-H243 VanDerWaalsContact O-CD2 3.27Å; L239-H243 PolarHBondContact O-N 3.45Å; I240-H243 CarbonylContact O-C 3.56Å; I240-H243 PolarHBondContact O-N 3.09Å; H243-H245 AromaticContact ND1-CE1 3.69Å; H243-H245 PolarHBondContact O-N 3.23Å; H243-V246 PolarHBondContact O-N 3.42Å
244	P	96.6	Very high	96.8	Very high	112 Å²	112	61.9 Å²	61.9	73%	0.727	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.6	-173.7	29.4	-37.5	0	0	0	114.7	Q242 V246	Q242-P244 VanDerWaalsContact C-CD 3.41Å; Q242-P244 WeakPolarHBondContact O-CD 3.3Å; P244-V246 VanDerWaalsContact C-N 3.31Å
245	H	94.7	Very high	96.5	Very high	144 Å²	144	60.3 Å²	60.3	67%	0.667	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.6	177.6	55.6	-81.7	0	0	0	113.2	H243	H243-H245 AromaticContact ND1-CE1 3.69Å; H243-H245 PolarHBondContact O-N 3.23Å
246	V	96.7	Very high	96.2	Very high	16 Å²	16	67 Å²	67	10%	0.097	34%	0.341	C	S	.	.	S	Bend	trans	-105.6	128.8	176.6	-178.6	0	0	0	0	108.8	F212 F219 L221 H243 P244 A248	F212-V246 HydrophobicContact CB-CG2 4.48Å; F212-V246 HydrophobicContact CD1-CB 3.82Å; F212-V246 HydrophobicContact CD1-CG1 4.05Å; F212-V246 HydrophobicContact CD1-CG2 3.97Å; F212-V246 HydrophobicContact CE1-CB 4.3Å; F212-V246 HydrophobicContact CE1-CG1 4.43Å; F219-V246 HydrophobicContact CD2-CG1 4.43Å; F219-V246 HydrophobicContact CE2-CG1 3.55Å; F219-V246 HydrophobicContact CZ-CG1 3.85Å; F219-V246 HydrophobicContact CZ-CG2 4.48Å; L221-V246 HydrophobicContact CD1-CG1 3.89Å; L221-V246 HydrophobicContact CG-CG1 4.1Å; H243-V246 PolarHBondContact O-N 3.42Å; P244-V246 VanDerWaalsContact C-N 3.31Å; V246-A248 PolarHBondContact O-N 3.16Å
247	D	97.9	Very high	95.8	Very high	63 Å²	63	68.9 Å²	68.9	34%	0.337	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	103.3	174.1	-176.7	10.1	0	0	0	109.3	E220 L221 K274	E220-D247 CarbonylContact C-O 3.55Å; E220-D247 WeakPolarHBondContact CA-O 3.49Å; E220-D247 HydrophobicContact CB-CB 4.2Å; L221-D247 PolarHBondContact N-O 2.77Å; D247-K274 VanDerWaalsContact CG-NZ 3.25Å; D247-K274 IonicContact OD1-NZ 2.81Å; D247-K274 PolarHBondContact OD1-NZ 3.15Å; D247-K274 IonicContact OD2-NZ 2.93Å; D247-K274 PolarHBondContact OD2-NZ 2.95Å
248	A	98.3	Very high	95.4	Very high	16 Å²	16	67 Å²	67	13%	0.132	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.6	-173.8	0	0	0	0	0	111	F212 L221 F223 I240 V246	F212-A248 HydrophobicContact CE1-CB 3.88Å; F212-A248 HydrophobicContact CZ-CB 4.26Å; L221-A248 HydrophobicContact CB-CB 3.89Å; L221-A248 HydrophobicContact CD1-CB 4.48Å; L221-A248 WeakPolarHBondContact O-CA 3.24Å; F223-A248 HydrophobicContact CE2-CB 4.3Å; I240-A248 HydrophobicContact CG1-CB 3.83Å; V246-A248 PolarHBondContact O-N 3.16Å
249	Q	97.8	Very high	95	Very high	70 Å²	70	65.7 Å²	65.7	33%	0.327	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157.6	179.2	58.9	178.8	-5.4	0	0	111.9	L221 L222 F223 I251	L221-Q249 PolarHBondContact O-N 2.79Å; L222-Q249 HydrophobicContact CD2-CG 3.43Å; L222-Q249 VanDerWaalsContact CD2-CG 3.43Å; F223-Q249 PolarHBondContact N-O 3.24Å; Q249-I251 HydrophobicContact CG-CD1 4.04Å
250	I	98.3	Very high	94.8	Very high	35 Å²	35	65.6 Å²	65.6	18%	0.179	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.5	174.6	-55.5	173.8	0	0	0	108.8	F223 I225 Y233 A236 E237 I240 I252	F223-I250 HydrophobicContact CB-CG1 4.4Å; F223-I250 CarbonylContact O-C 3.51Å; F223-I250 WeakPolarHBondContact O-CA 3.3Å; I225-I250 HydrophobicContact CD1-CG2 3.99Å; I225-I250 HydrophobicContact CG1-CG2 4.24Å; Y233-I250 HydrophobicContact CD2-CD1 4.08Å; Y233-I250 HydrophobicContact CD2-CG2 3.88Å; Y233-I250 HydrophobicContact CE1-CD1 4.49Å; Y233-I250 HydrophobicContact CE2-CB 4.46Å; Y233-I250 HydrophobicContact CE2-CD1 3.89Å; Y233-I250 HydrophobicContact CE2-CG2 3.84Å; Y233-I250 HydrophobicContact CG-CD1 4.45Å; A236-I250 HydrophobicContact CB-CD1 3.97Å; A236-I250 HydrophobicContact CB-CG1 4.14Å; E237-I250 HydrophobicContact CB-CD1 4Å; I240-I250 HydrophobicContact CD1-CD1 4.26Å; I240-I250 HydrophobicContact CD1-CG1 3.72Å; I250-I252 HydrophobicContact CG2-CD1 4.11Å
251	I	97.8	Very high	94.4	Very high	27 Å²	27	65.6 Å²	65.6	14%	0.138	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.8	176.8	-54.2	-58.9	0	0	0	108.8	L222 F223 C224 I225 Q249 A268 A272	L222-I251 HydrophobicContact CB-CG1 4.36Å; L222-I251 HydrophobicContact CD2-CG1 4.41Å; F223-I251 PolarHBondContact O-N 3.24Å; C224-I251 WeakPolarHBondContact CA-O 3.2Å; I225-I251 PolarHBondContact N-O 2.79Å; Q249-I251 HydrophobicContact CG-CD1 4.04Å; I251-A268 HydrophobicContact CG2-CB 3.73Å; I251-A272 HydrophobicContact CD1-CB 3.72Å; I251-A272 HydrophobicContact CG1-CB 4.02Å; I251-A272 HydrophobicContact CG2-CB 4.44Å
252	I	97	Very high	94.2	Very high	51 Å²	51	62 Å²	62	26%	0.262	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	115.3	176.7	-56.5	-58.8	0	0	0	109.9	I225 K228 Y233 I250 K254	I225-I252 CarbonylContact O-C 3.59Å; I225-I252 VanDerWaalsContact O-CA 3.29Å; I225-I252 WeakPolarHBondContact O-CA 3.44Å; K228-I252 HydrophobicContact CG-CD1 3.98Å; K228-I252 HydrophobicContact CG-CG1 4.42Å; Y233-I252 HydrophobicContact CD2-CD1 4.12Å; Y233-I252 HydrophobicContact CE2-CD1 4.07Å; I250-I252 HydrophobicContact CG2-CD1 4.11Å; I252-K254 PolarHBondContact O-N 2.84Å
253	A	93.5	Very high	94.1	Very high	7 Å²	7	56.9 Å²	56.9	6%	0.058	31%	0.306	C	S	.	.			trans	-78.5	109.6	177.4	0	0	0	0	0	110.8	I225 N264 N265 A268	I225-A253 PolarHBondContact O-N 3.13Å; A253-N264 HydrophobicContact CB-CB 4.39Å; A253-N265 VanDerWaalsContact CB-OD1 3.27Å; A253-N265 WeakPolarHBondContact CB-OD1 3.36Å; A253-A268 HydrophobicContact CB-CB 3.91Å
254	K	88.8	Confident	94	Very high	180 Å²	180	55.7 Å²	55.7	78%	0.783	30%	0.301	S	S	*	.			trans	-95.2	-35.8	-177.8	-62.8	179.2	-179.1	178.3	0	113.2	I252	I252-K254 PolarHBondContact O-N 2.84Å
255	D	90.1	Very high	94	Very high	89 Å²	89	50.6 Å²	50.6	48%	0.476	27%	0.268	S	S	.	.			trans	-85.3	141.1	-173.3	-63.7	-30	0	0	0	111.9	F257 N264	D255-F257 HydrophobicContact CB-CD2 4.28Å; D255-F257 HydrophobicContact CB-CE1 4.15Å; D255-F257 HydrophobicContact CB-CE2 3.39Å; D255-F257 HydrophobicContact CB-CZ 3.31Å; D255-N264 WeakPolarHBondContact O-CB 3.43Å
256	L	89.8	Confident	94.1	Very high	140 Å²	140	43.8 Å²	43.8	73%	0.733	24%	0.236	S	C	*	.			trans	-101.2	111	177	-64.4	174.5	0	0	0	110.3	N264	L256-N264 VanDerWaalsContact CD2-ND2 3.33Å; L256-N264 WeakPolarHBondContact CD2-ND2 3.41Å
257	F	89.9	Confident	94.1	Very high	41 Å²	41	43.1 Å²	43.1	18%	0.18	23%	0.232	C	C	.	.			trans	-108.3	83.6	174.7	-55	-67.7	0	0	0	109.1	D255 I263 N264 Q267 K414 G417	D255-F257 HydrophobicContact CB-CD2 4.28Å; D255-F257 HydrophobicContact CB-CE1 4.15Å; D255-F257 HydrophobicContact CB-CE2 3.39Å; D255-F257 HydrophobicContact CB-CZ 3.31Å; F257-I263 HydrophobicContact CB-CG2 4.16Å; F257-N264 PolarHBondContact N-OD1 3.12Å; F257-Q267 HydrophobicContact CD2-CB 3.87Å; F257-Q267 HydrophobicContact CD2-CG 3.91Å; F257-Q267 HydrophobicContact CE2-CB 3.81Å; F257-Q267 HydrophobicContact CE2-CG 3.44Å; F257-Q267 VanDerWaalsContact CE2-CG 3.44Å; F257-Q267 HydrophobicContact CZ-CG 4.08Å; F257-K414 HydrophobicContact CD1-CB 3.86Å; F257-K414 HydrophobicContact CD1-CD 3.98Å; F257-K414 HydrophobicContact CD1-CG 3.8Å; F257-K414 HydrophobicContact CD2-CG 4.24Å; F257-K414 HydrophobicContact CE1-CB 4.3Å; F257-K414 HydrophobicContact CE1-CD 3.48Å; F257-K414 VanDerWaalsContact CE1-CD 3.48Å; F257-K414 HydrophobicContact CE1-CG 3.77Å; F257-K414 HydrophobicContact CE2-CD 4.45Å; F257-K414 HydrophobicContact CE2-CG 4.21Å; F257-K414 HydrophobicContact CG-CB 4.1Å; F257-K414 HydrophobicContact CG-CG 4.05Å; F257-K414 HydrophobicContact CZ-CD 3.74Å; F257-K414 HydrophobicContact CZ-CG 3.97Å; F257-G417 WeakPolarHBondContact O-CA 3.2Å
258	G	88.3	Confident	94.1	Very high	53 Å²	53	40.8 Å²	40.8	55%	0.546	22%	0.222	S	C	.	.	S	Bend	trans	75.5	-154.8	176.4	0	0	0	0	0	114.5
259	I	90.2	Very high	94	Very high	47 Å²	47	40 Å²	40	24%	0.241	22%	0.215	C	C	.	.	S	Bend	trans	-91.9	-17.9	-168.6	56.7	149.8	0	0	0	113.9	P261 G417 L420 F571 S579	I259-P261 WeakPolarHBondContact O-CD 3.45Å; I259-G417 WeakPolarHBondContact CG1-O 3.42Å; I259-G417 PolarHBondContact N-O 3.18Å; I259-L420 HydrophobicContact CD1-CD2 3.92Å; I259-L420 HydrophobicContact CD1-CG 4.1Å; I259-F571 HydrophobicContact CB-CE1 4.3Å; I259-F571 HydrophobicContact CD1-CD1 3.91Å; I259-F571 HydrophobicContact CD1-CE1 4Å; I259-S579 WeakPolarHBondContact CD1-O 3.35Å
260	N	92.6	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.			trans	-90	104.1	-176.1	-173.6	-13.1	0	0	0	110	K262 I263 G417 Y419 E422	N260-K262 PolarHBondContact O-N 2.98Å; N260-K262 VanDerWaalsContact O-N 3.16Å; N260-K262 VanDerWaalsContact OD1-CB 3.3Å; N260-K262 WeakPolarHBondContact OD1-CB 3.28Å; N260-K262 PolarHBondContact OD1-N 2.82Å; N260-K262 VanDerWaalsContact OD1-N 3.1Å; N260-I263 HydrophobicContact CB-CG1 4.02Å; N260-I263 WeakPolarHBondContact O-CB 3.43Å; N260-I263 PolarHBondContact O-N 3.34Å; N260-G417 PolarHBondContact N-O 3.01Å; N260-G417 VanDerWaalsContact N-O 3.1Å; N260-Y419 WeakPolarHBondContact CB-O 3.2Å; N260-Y419 PolarHBondContact ND2-O 2.99Å; N260-E422 PolarHBondContact ND2-OE2 2.95Å
261	P	91.2	Very high	93.9	Very high	41 Å²	41	41.2 Å²	41.2	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-25.1	-176.7	27.1	-35.5	0	0	0	112.9	I259 I263 N264 N265	I259-P261 WeakPolarHBondContact O-CD 3.45Å; P261-I263 PolarHBondContact O-N 2.99Å; P261-N264 WeakPolarHBondContact O-CB 3.23Å; P261-N264 PolarHBondContact O-N 2.92Å; P261-N265 PolarHBondContact O-N 2.84Å
262	K	93.8	Very high	93.9	Very high	28 Å²	28	41.6 Å²	41.6	12%	0.122	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-34.5	176	-174.8	176.4	170.4	-173.2	0	111.1	P196 N260 N265 L266 D282 G397 E422	P196-K262 HydrophobicContact CB-CG 4.15Å; P196-K262 HydrophobicContact CG-CG 4.06Å; N260-K262 PolarHBondContact O-N 2.98Å; N260-K262 VanDerWaalsContact O-N 3.16Å; N260-K262 VanDerWaalsContact OD1-CB 3.3Å; N260-K262 WeakPolarHBondContact OD1-CB 3.28Å; N260-K262 PolarHBondContact OD1-N 2.82Å; N260-K262 VanDerWaalsContact OD1-N 3.1Å; K262-N265 PolarHBondContact O-N 3.37Å; K262-L266 HydrophobicContact CG-CD1 4.02Å; K262-L266 HydrophobicContact CG-CG 4.24Å; K262-L266 WeakPolarHBondContact O-CB 3.34Å; K262-L266 VanDerWaalsContact O-CG 3.28Å; K262-L266 WeakPolarHBondContact O-CG 3.45Å; K262-L266 PolarHBondContact O-N 3.47Å; K262-D282 WeakPolarHBondContact CE-OD1 3.5Å; K262-D282 IonicContact NZ-OD1 3.96Å; K262-D282 PolarHBondContact NZ-OD1 2.59Å; K262-D282 IonicContact NZ-OD2 3.65Å; K262-G397 PolarHBondContact NZ-O 3.32Å; K262-E422 WeakPolarHBondContact CD-OE1 3.47Å; K262-E422 VanDerWaalsContact CE-OE1 3.28Å; K262-E422 WeakPolarHBondContact CE-OE1 3.5Å; K262-E422 IonicContact NZ-OE1 2.76Å; K262-E422 PolarHBondContact NZ-OE1 3.11Å
263	I	95.5	Very high	94	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-36.7	178.6	-66.8	-63	0	0	0	111.9	F257 N260 P261 N265 L266 Q267 F413 F416 E422	F257-I263 HydrophobicContact CB-CG2 4.16Å; N260-I263 HydrophobicContact CB-CG1 4.02Å; N260-I263 WeakPolarHBondContact O-CB 3.43Å; N260-I263 PolarHBondContact O-N 3.34Å; P261-I263 PolarHBondContact O-N 2.99Å; I263-N265 VanDerWaalsContact C-N 3.32Å; I263-N265 PolarHBondContact O-N 2.99Å; I263-L266 HydrophobicContact CD1-CD1 4.4Å; I263-L266 PolarHBondContact O-N 3.44Å; I263-Q267 VanDerWaalsContact O-CB 3.29Å; I263-Q267 WeakPolarHBondContact O-CB 3.45Å; I263-Q267 PolarHBondContact O-N 3.31Å; I263-F413 HydrophobicContact CD1-CB 4.3Å; I263-F413 HydrophobicContact CG2-CB 4.31Å; I263-F413 WeakPolarHBondContact CG2-O 3.21Å; I263-F416 HydrophobicContact CD1-CB 3.97Å; I263-E422 HydrophobicContact CD1-CB 3.67Å; I263-E422 HydrophobicContact CD1-CG 3.85Å; I263-E422 HydrophobicContact CG1-CB 4.28Å
264	N	95.1	Very high	94.2	Very high	8 Å²	8	45 Å²	45	4%	0.043	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-47.3	176	-56.4	-17.2	0	0	0	110.4	A253 D255 L256 F257 P261 Q267 A268	A253-N264 HydrophobicContact CB-CB 4.39Å; D255-N264 WeakPolarHBondContact O-CB 3.43Å; L256-N264 VanDerWaalsContact CD2-ND2 3.33Å; L256-N264 WeakPolarHBondContact CD2-ND2 3.41Å; F257-N264 PolarHBondContact N-OD1 3.12Å; P261-N264 WeakPolarHBondContact O-CB 3.23Å; P261-N264 PolarHBondContact O-N 2.92Å; N264-Q267 PolarHBondContact O-N 3.35Å; N264-A268 PolarHBondContact O-N 3.29Å; N264-A268 VanDerWaalsContact O-N 3.11Å
265	N	96.1	Very high	94.6	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.032	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-46.3	177.4	-67.7	4	0	0	0	111.4	P196 L197 C224 T226 A253 P261 K262 I263 Q267 A268 G269	P196-N265 HydrophobicContact CB-CB 3.84Å; L197-N265 PolarHBondContact O-ND2 3.25Å; C224-N265 HydrophobicContact CB-CB 3.7Å; C224-N265 WeakPolarHBondContact CB-O 3.3Å; C224-N265 PolarHBondContact O-ND2 3.08Å; C224-N265 PolarHBondContact SG-O 3.16Å; C224-N265 VanDerWaalsContact SG-O 3.41Å; T226-N265 PolarHBondContact OG1-OD1 2.89Å; A253-N265 VanDerWaalsContact CB-OD1 3.27Å; A253-N265 WeakPolarHBondContact CB-OD1 3.36Å; P261-N265 PolarHBondContact O-N 2.84Å; K262-N265 PolarHBondContact O-N 3.37Å; I263-N265 VanDerWaalsContact C-N 3.32Å; I263-N265 PolarHBondContact O-N 2.99Å; N265-Q267 VanDerWaalsContact C-N 3.33Å; N265-Q267 PolarHBondContact O-N 2.76Å; N265-A268 PolarHBondContact O-N 3.05Å; N265-G269 PolarHBondContact O-N 3.17Å
266	L	97.1	Very high	94.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-36.3	178.5	-71.2	178.1	0	0	0	112.9	L194 P196 K262 I263 G269 Y270 I280 F413	L194-L266 HydrophobicContact CB-CD2 3.97Å; L194-L266 HydrophobicContact CD1-CD2 4.4Å; P196-L266 HydrophobicContact CB-CD2 4.44Å; P196-L266 HydrophobicContact CG-CD2 3.96Å; P196-L266 HydrophobicContact CG-CG 4.43Å; K262-L266 HydrophobicContact CG-CD1 4.02Å; K262-L266 HydrophobicContact CG-CG 4.24Å; K262-L266 WeakPolarHBondContact O-CB 3.34Å; K262-L266 VanDerWaalsContact O-CG 3.28Å; K262-L266 WeakPolarHBondContact O-CG 3.45Å; K262-L266 PolarHBondContact O-N 3.47Å; I263-L266 HydrophobicContact CD1-CD1 4.4Å; I263-L266 PolarHBondContact O-N 3.44Å; L266-G269 PolarHBondContact O-N 3.38Å; L266-Y270 WeakPolarHBondContact O-CB 3.42Å; L266-Y270 PolarHBondContact O-N 3.32Å; L266-I280 HydrophobicContact CD1-CD1 4.46Å; L266-I280 HydrophobicContact CD1-CG2 4.27Å; L266-I280 HydrophobicContact CD2-CG1 4.27Å; L266-I280 HydrophobicContact CD2-CG2 3.89Å; L266-F413 HydrophobicContact CB-CB 4.47Å; L266-F413 HydrophobicContact CB-CD2 3.86Å; L266-F413 HydrophobicContact CB-CE2 4.28Å; L266-F413 HydrophobicContact CB-CG 4.15Å; L266-F413 WeakPolarHBondContact O-CD2 3.3Å
267	Q	97.4	Very high	95.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-67.2	-45.9	177.8	-177.6	61.4	32	0	0	111.7	F257 I263 N264 N265 G269 Y270 E271 G411 K414	F257-Q267 HydrophobicContact CD2-CB 3.87Å; F257-Q267 HydrophobicContact CD2-CG 3.91Å; F257-Q267 HydrophobicContact CE2-CB 3.81Å; F257-Q267 HydrophobicContact CE2-CG 3.44Å; F257-Q267 VanDerWaalsContact CE2-CG 3.44Å; F257-Q267 HydrophobicContact CZ-CG 4.08Å; I263-Q267 VanDerWaalsContact O-CB 3.29Å; I263-Q267 WeakPolarHBondContact O-CB 3.45Å; I263-Q267 PolarHBondContact O-N 3.31Å; N264-Q267 PolarHBondContact O-N 3.35Å; N265-Q267 VanDerWaalsContact C-N 3.33Å; N265-Q267 PolarHBondContact O-N 2.76Å; Q267-G269 VanDerWaalsContact C-N 3.27Å; Q267-G269 PolarHBondContact O-N 2.93Å; Q267-Y270 WeakPolarHBondContact O-CB 3.3Å; Q267-Y270 PolarHBondContact O-N 2.94Å; Q267-Y270 VanDerWaalsContact O-N 3.12Å; Q267-E271 PolarHBondContact NE2-OE1 3.24Å; Q267-E271 WeakPolarHBondContact O-CG 3.35Å; Q267-E271 PolarHBondContact O-N 3.42Å; Q267-G411 PolarHBondContact NE2-O 3.1Å; Q267-G411 VanDerWaalsContact NE2-O 3.16Å; Q267-K414 HydrophobicContact CG-CD 4.29Å; Q267-K414 HydrophobicContact CG-CG 3.65Å; Q267-K414 VanDerWaalsContact OE1-N 3.14Å
268	A	97.1	Very high	95.7	Very high	15 Å²	15	30.5 Å²	30.5	12%	0.124	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-42.5	176.6	0	0	0	0	0	110.8	I251 A253 N264 N265 Y270 E271 A272	I251-A268 HydrophobicContact CG2-CB 3.73Å; A253-A268 HydrophobicContact CB-CB 3.91Å; N264-A268 PolarHBondContact O-N 3.29Å; N264-A268 VanDerWaalsContact O-N 3.11Å; N265-A268 PolarHBondContact O-N 3.05Å; A268-Y270 PolarHBondContact O-N 3.48Å; A268-E271 PolarHBondContact O-N 3.48Å; A268-A272 WeakPolarHBondContact O-CB 3.33Å; A268-A272 PolarHBondContact O-N 3.02Å
269	G	97.4	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-39.7	173	0	0	0	0	0	113.8	L194 L222 C224 N265 L266 Q267 A272 S273	L194-G269 WeakPolarHBondContact CD2-O 3.43Å; L222-G269 WeakPolarHBondContact CD1-O 3.36Å; C224-G269 VanDerWaalsContact SG-CA 3.5Å; N265-G269 PolarHBondContact O-N 3.17Å; L266-G269 PolarHBondContact O-N 3.38Å; Q267-G269 VanDerWaalsContact C-N 3.27Å; Q267-G269 PolarHBondContact O-N 2.93Å; G269-A272 PolarHBondContact O-N 2.91Å; G269-S273 VanDerWaalsContact O-CB 3.24Å; G269-S273 WeakPolarHBondContact O-CB 3.47Å; G269-S273 PolarHBondContact O-N 3.5Å
270	Y	97.5	Very high	96.5	Very high	30 Å²	30	26 Å²	26	12%	0.118	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-42.7	176.5	173.5	-89.8	0	0	0	112.6	L266 Q267 A268 S273 L278 K404 L407 F413	L266-Y270 WeakPolarHBondContact O-CB 3.42Å; L266-Y270 PolarHBondContact O-N 3.32Å; Q267-Y270 WeakPolarHBondContact O-CB 3.3Å; Q267-Y270 PolarHBondContact O-N 2.94Å; Q267-Y270 VanDerWaalsContact O-N 3.12Å; A268-Y270 PolarHBondContact O-N 3.48Å; Y270-S273 PolarHBondContact O-N 3.4Å; Y270-L278 HydrophobicContact CD2-CD1 3.57Å; Y270-L278 HydrophobicContact CE2-CD1 4.01Å; Y270-K404 HydrophobicContact CD2-CG 4.43Å; Y270-K404 HydrophobicContact CE2-CD 4.25Å; Y270-K404 HydrophobicContact CE2-CG 3.66Å; Y270-K404 PolarHBondContact O-NZ 3.35Å; Y270-L407 HydrophobicContact CE2-CB 4.2Å; Y270-F413 HydrophobicContact CD2-CD2 4.3Å; Y270-F413 AromaticContact CD2-CE2 3.96Å; Y270-F413 HydrophobicContact CD2-CE2 3.96Å; Y270-F413 HydrophobicContact CG-CD2 4.28Å; Y270-F413 HydrophobicContact CG-CE2 4.28Å
271	E	96.8	Very high	96.7	Very high	99 Å²	99	26 Å²	26	46%	0.463	14%	0.139	S	C	.	.	H	α-helix	trans	-70.7	-38	180	-70	173.2	-179.9	0	0	111.7	Q267 A268 S273 K414	Q267-E271 PolarHBondContact NE2-OE1 3.24Å; Q267-E271 WeakPolarHBondContact O-CG 3.35Å; Q267-E271 PolarHBondContact O-N 3.42Å; A268-E271 PolarHBondContact O-N 3.48Å; E271-S273 VanDerWaalsContact C-N 3.32Å; E271-K414 WeakPolarHBondContact OE1-CE 3.25Å; E271-K414 IonicContact OE1-NZ 3.34Å; E271-K414 PolarHBondContact OE1-NZ 3.36Å
272	A	97.4	Very high	96.8	Very high	36 Å²	36	26.2 Å²	26.2	30%	0.298	14%	0.138	S	C	.	.	H	α-helix	trans	-77	-15.1	176.6	0	0	0	0	0	114.2	L222 I251 A268 G269 K274	L222-A272 HydrophobicContact CD1-CB 4.4Å; I251-A272 HydrophobicContact CD1-CB 3.72Å; I251-A272 HydrophobicContact CG1-CB 4.02Å; I251-A272 HydrophobicContact CG2-CB 4.44Å; A268-A272 WeakPolarHBondContact O-CB 3.33Å; A268-A272 PolarHBondContact O-N 3.02Å; G269-A272 PolarHBondContact O-N 2.91Å; A272-K274 PolarHBondContact O-N 3.2Å
273	S	98	Very high	96.8	Very high	12 Å²	12	26.4 Å²	26.4	8%	0.084	14%	0.143	C	C	.	.			trans	-67.7	129	-172.5	119	0	0	0	0	112.9	S192 G269 Y270 E271 Y275 L278 K404	S192-S273 WeakPolarHBondContact OG-CB 3.26Å; S192-S273 PolarHBondContact OG-OG 3.11Å; G269-S273 VanDerWaalsContact O-CB 3.24Å; G269-S273 WeakPolarHBondContact O-CB 3.47Å; G269-S273 PolarHBondContact O-N 3.5Å; Y270-S273 PolarHBondContact O-N 3.4Å; E271-S273 VanDerWaalsContact C-N 3.32Å; S273-Y275 PolarHBondContact OG-O 3.44Å; S273-L278 WeakPolarHBondContact OG-CD2 3.36Å; S273-K404 PolarHBondContact O-NZ 2.93Å; S273-K404 PolarHBondContact OG-NZ 3.1Å
274	K	97.7	Very high	96.6	Very high	117 Å²	117	27.4 Å²	27.4	51%	0.509	15%	0.154	S	C	.	.			trans	-80.6	-34.3	-179.8	-59.1	173.8	-163.6	166.9	0	112.7	S192 E220 D247 A272	S192-K274 PolarHBondContact OG-N 2.93Å; E220-K274 WeakPolarHBondContact OE1-CB 3.32Å; E220-K274 PolarHBondContact OE1-N 2.73Å; E220-K274 WeakPolarHBondContact OE2-CD 3.3Å; E220-K274 WeakPolarHBondContact OE2-CE 3.19Å; E220-K274 VanDerWaalsContact OE2-CG 3.29Å; E220-K274 WeakPolarHBondContact OE2-CG 3.09Å; E220-K274 IonicContact OE2-NZ 2.92Å; D247-K274 VanDerWaalsContact CG-NZ 3.25Å; D247-K274 IonicContact OD1-NZ 2.81Å; D247-K274 PolarHBondContact OD1-NZ 3.15Å; D247-K274 IonicContact OD2-NZ 2.93Å; D247-K274 PolarHBondContact OD2-NZ 2.95Å; A272-K274 PolarHBondContact O-N 3.2Å
275	Y	97.9	Very high	96.6	Very high	63 Å²	63	27 Å²	27	25%	0.247	15%	0.152	C	C	.	.	S	Bend	trans	-101.2	163.7	-167.9	-56.2	-66.8	0	0	0	114.1	G190 V191 S192 T218 E220 S273 K404	G190-Y275 VanDerWaalsContact C-CG 3.46Å; G190-Y275 VanDerWaalsContact O-CB 3.3Å; G190-Y275 WeakPolarHBondContact O-CB 3.42Å; V191-Y275 VanDerWaalsContact C-CD2 3.48Å; S192-Y275 PolarHBondContact OG-N 3.37Å; T218-Y275 HydrophobicContact CG2-CE1 4.05Å; T218-Y275 WeakPolarHBondContact CG2-OH 3.21Å; E220-Y275 HydrophobicContact CB-CE2 4.09Å; E220-Y275 HydrophobicContact CG-CD2 3.92Å; E220-Y275 HydrophobicContact CG-CE2 3.84Å; S273-Y275 PolarHBondContact OG-O 3.44Å; Y275-K404 WeakPolarHBondContact O-CD 3.42Å
276	S	96.4	Very high	96.5	Very high	81 Å²	81	29.6 Å²	29.6	57%	0.566	16%	0.161	S	C	*	.	S	Bend	trans	-82.3	-11.1	-179	67.2	0	0	0	0	114.1	K404	S276-K404 WeakPolarHBondContact O-CB 3.36Å; S276-K404 PolarHBondContact O-N 2.87Å
277	L	98.2	Very high	96.4	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.6	174.7	-60.3	-174	0	0	0	109.2	P189 V191 S192 V296 L299 L401 R403	P189-L277 HydrophobicContact CB-CD1 3.98Å; P189-L277 HydrophobicContact CG-CD1 3.74Å; V191-L277 HydrophobicContact CB-CB 4.47Å; V191-L277 HydrophobicContact CG1-CB 4.32Å; V191-L277 HydrophobicContact CG2-CB 4.06Å; V191-L277 HydrophobicContact CG2-CD1 4.13Å; S192-L277 PolarHBondContact N-O 2.73Å; L277-V296 HydrophobicContact CD1-CG1 4.23Å; L277-V296 HydrophobicContact CD1-CG2 4.27Å; L277-L299 HydrophobicContact CD1-CD2 4.21Å; L277-L299 HydrophobicContact CD2-CD2 3.58Å; L277-L401 HydrophobicContact CB-CD1 4.26Å; L277-R403 HydrophobicContact CD2-CG 4.04Å
278	L	98.2	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.5	179.7	-55.2	178.7	0	0	0	109.5	S192 Y270 S273 L401 L402 K404 F413	S192-L278 CarbonylContact O-C 3.57Å; S192-L278 WeakPolarHBondContact O-CA 3.34Å; Y270-L278 HydrophobicContact CD2-CD1 3.57Å; Y270-L278 HydrophobicContact CE2-CD1 4.01Å; S273-L278 WeakPolarHBondContact OG-CD2 3.36Å; L278-L401 CarbonylContact O-C 3.47Å; L278-L401 WeakPolarHBondContact O-CA 3.37Å; L278-L402 HydrophobicContact CB-CD2 4.08Å; L278-L402 HydrophobicContact CB-CG 4.1Å; L278-L402 PolarHBondContact N-O 3.28Å; L278-L402 WeakPolarHBondContact O-CD2 3.35Å; L278-L402 PolarHBondContact O-N 3.45Å; L278-K404 HydrophobicContact CD1-CB 4.16Å; L278-K404 HydrophobicContact CD1-CD 4.47Å; L278-K404 HydrophobicContact CD1-CG 4.01Å; L278-K404 HydrophobicContact CD2-CD 4.27Å; L278-K404 HydrophobicContact CG-CB 4.09Å; L278-K404 HydrophobicContact CG-CG 4.33Å; L278-F413 HydrophobicContact CD1-CE2 4.43Å; L278-F413 HydrophobicContact CD1-CZ 4.4Å
279	L	98.2	Very high	95.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114	168.5	173.1	61.2	0	0	0	108.9	V191 S192 I193 L194 M287 L292 M295 C400 L401	V191-L279 HydrophobicContact CG1-CB 4.07Å; S192-L279 PolarHBondContact O-N 3.31Å; I193-L279 CarbonylContact C-O 3.54Å; I193-L279 WeakPolarHBondContact CA-O 3.18Å; I193-L279 HydrophobicContact CB-CB 4.47Å; I193-L279 HydrophobicContact CD1-CD2 4.07Å; I193-L279 HydrophobicContact CG1-CB 4.14Å; I193-L279 HydrophobicContact CG1-CD2 4.12Å; I193-L279 HydrophobicContact CG2-CB 4.33Å; I193-L279 HydrophobicContact CG2-CD2 4.03Å; I193-L279 HydrophobicContact CG2-CG 4.19Å; L194-L279 PolarHBondContact N-O 3.21Å; L279-M287 HydrophobicContact CD2-CE 3.93Å; L279-L292 HydrophobicContact CD2-CD1 4.05Å; L279-M295 HydrophobicContact CD1-CE 3.93Å; L279-M295 HydrophobicContact CD1-SD 4.12Å; L279-C400 WeakPolarHBondContact CA-O 3.48Å; L279-C400 WeakPolarHBondContact CD1-O 3.37Å; L279-L401 HydrophobicContact CB-CD1 4.05Å; L279-L401 HydrophobicContact CD1-CB 4.33Å
280	I	97.7	Very high	95.5	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.9	169.1	-58.9	171.4	0	0	0	107.7	L266 S399 C400 L402 F413 L426	L266-I280 HydrophobicContact CD1-CD1 4.46Å; L266-I280 HydrophobicContact CD1-CG2 4.27Å; L266-I280 HydrophobicContact CD2-CG1 4.27Å; L266-I280 HydrophobicContact CD2-CG2 3.89Å; I280-S399 WeakPolarHBondContact O-CA 3.44Å; I280-C400 PolarHBondContact N-O 2.85Å; I280-C400 PolarHBondContact O-N 2.97Å; I280-L402 HydrophobicContact CD1-CD2 3.79Å; I280-L402 HydrophobicContact CG1-CD2 3.94Å; I280-F413 HydrophobicContact CD1-CE1 3.63Å; I280-F413 HydrophobicContact CD1-CZ 3.64Å; I280-F413 HydrophobicContact CG1-CZ 4.21Å; I280-L426 HydrophobicContact CD1-CD2 4.01Å
281	S	96.6	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	124.1	180	-176.6	0	0	0	0	112.9	L194 K195 F211 L285 M398	L194-S281 PolarHBondContact O-N 3.19Å; L194-S281 VanDerWaalsContact O-N 3.16Å; K195-S281 WeakPolarHBondContact CD-O 3.47Å; K195-S281 WeakPolarHBondContact CE-OG 3.37Å; K195-S281 VanDerWaalsContact NZ-CB 3.3Å; K195-S281 PolarHBondContact NZ-O 3.27Å; K195-S281 PolarHBondContact NZ-OG 3.03Å; F211-S281 VanDerWaalsContact CZ-OG 3.29Å; F211-S281 WeakPolarHBondContact CZ-OG 3.2Å; S281-L285 WeakPolarHBondContact OG-CD2 3.38Å; S281-M398 WeakPolarHBondContact CA-O 3.19Å
282	D	93.8	Very high	95.2	Very high	45 Å²	45	29.3 Å²	29.3	24%	0.241	16%	0.164	C	C	.	.			trans	-68.1	160.4	-178.6	-77.4	-10.9	0	0	0	112.8	K195 K262 G284 L285 M398	K195-D282 PolarHBondContact NZ-O 3.24Å; K262-D282 WeakPolarHBondContact CE-OD1 3.5Å; K262-D282 IonicContact NZ-OD1 3.96Å; K262-D282 PolarHBondContact NZ-OD1 2.59Å; K262-D282 IonicContact NZ-OD2 3.65Å; D282-G284 VanDerWaalsContact C-N 3.34Å; D282-G284 PolarHBondContact O-N 2.64Å; D282-L285 WeakPolarHBondContact O-CB 3.36Å; D282-L285 PolarHBondContact O-N 2.9Å; D282-M398 HydrophobicContact CB-CG 4.07Å; D282-M398 PolarHBondContact N-O 3.49Å
283	S	93.1	Very high	94.9	Very high	31 Å²	31	29.2 Å²	29.2	22%	0.217	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.6	-178.6	67	0	0	0	0	114	N207 L285	N207-S283 WeakPolarHBondContact CB-O 3.17Å; N207-S283 PolarHBondContact ND2-O 3.04Å; S283-L285 VanDerWaalsContact C-N 3.25Å; S283-L285 PolarHBondContact O-N 3.28Å
284	G	91.6	Very high	94.6	Very high	23 Å²	23	28.8 Å²	28.8	24%	0.237	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	0.2	179.6	0	0	0	0	0	115	D282 N447	D282-G284 VanDerWaalsContact C-N 3.34Å; D282-G284 PolarHBondContact O-N 2.64Å; G284-N447 PolarHBondContact O-N 3.18Å; G284-N447 PolarHBondContact O-ND2 3.47Å
285	L	94.5	Very high	94.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.2	-179.1	-170.9	83.1	0	0	0	110.7	N207 F211 S281 D282 S283 M287 M398 A444 W445	N207-L285 WeakPolarHBondContact CB-O 3.2Å; F211-L285 HydrophobicContact CZ-CD2 4.29Å; S281-L285 WeakPolarHBondContact OG-CD2 3.38Å; D282-L285 WeakPolarHBondContact O-CB 3.36Å; D282-L285 PolarHBondContact O-N 2.9Å; S283-L285 VanDerWaalsContact C-N 3.25Å; S283-L285 PolarHBondContact O-N 3.28Å; L285-M287 HydrophobicContact CD2-CE 3.75Å; L285-M287 HydrophobicContact CD2-SD 4.41Å; L285-M398 HydrophobicContact CB-CE 3.91Å; L285-M398 HydrophobicContact CD1-CE 3.91Å; L285-M398 HydrophobicContact CD1-CG 4.13Å; L285-M398 HydrophobicContact CD1-SD 4.01Å; L285-A444 HydrophobicContact CD1-CB 3.43Å; L285-A444 VanDerWaalsContact CD1-CB 3.43Å; L285-W445 WeakPolarHBondContact CA-O 3.44Å; L285-W445 WeakPolarHBondContact CD1-O 3.37Å
286	W	94.7	Very high	94.3	Very high	59 Å²	59	20.2 Å²	20.2	22%	0.223	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	128	163.7	-174.8	85.6	0	0	0	109.1	R288 K315 W445	W286-R288 HydrophobicContact CH2-CG 4.32Å; W286-R288 HydrophobicContact CZ3-CB 4.32Å; W286-R288 HydrophobicContact CZ3-CG 3.64Å; W286-K315 HydrophobicContact CB-CD 3.95Å; W286-K315 VanDerWaalsContact CD1-NZ 3.25Å; W286-K315 HydrophobicContact CD2-CD 4.34Å; W286-K315 HydrophobicContact CG-CD 4Å; W286-W445 HydrophobicContact CE3-CB 4.23Å; W286-W445 HydrophobicContact CE3-CD2 4.09Å; W286-W445 AromaticContact CE3-CE3 3.53Å; W286-W445 HydrophobicContact CE3-CE3 3.53Å; W286-W445 HydrophobicContact CE3-CG 4.39Å; W286-W445 HydrophobicContact CE3-CZ3 4.26Å; W286-W445 HydrophobicContact CZ3-CD2 4.12Å; W286-W445 AromaticContact CZ3-CE3 3.47Å; W286-W445 HydrophobicContact CZ3-CE3 3.47Å; W286-W445 VanDerWaalsContact CZ3-CE3 3.47Å; W286-W445 AromaticContact CZ3-CZ3 3.79Å; W286-W445 HydrophobicContact CZ3-CZ3 3.79Å; W286-W445 PolarHBondContact N-O 3.41Å; W286-W445 WeakPolarHBondContact O-CB 3.32Å
287	M	94.4	Very high	94	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.015	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-99.9	133.1	-176.3	-167.6	62	88.3	0	0	110.7	S210 F211 M214 L279 L285 A291	S210-M287 WeakPolarHBondContact CB-O 3.39Å; S210-M287 PolarHBondContact OG-N 3.36Å; F211-M287 HydrophobicContact CD1-CB 4.42Å; F211-M287 HydrophobicContact CD2-CB 4.29Å; F211-M287 HydrophobicContact CE1-CB 3.94Å; F211-M287 HydrophobicContact CE1-CE 3.7Å; F211-M287 HydrophobicContact CE1-CG 4.12Å; F211-M287 HydrophobicContact CE2-CB 3.76Å; F211-M287 HydrophobicContact CZ-CB 3.55Å; F211-M287 HydrophobicContact CZ-CE 3.82Å; F211-M287 HydrophobicContact CZ-CG 4.16Å; M214-M287 HydrophobicContact SD-CG 4.15Å; L279-M287 HydrophobicContact CD2-CE 3.93Å; L285-M287 HydrophobicContact CD2-CE 3.75Å; L285-M287 HydrophobicContact CD2-SD 4.41Å; M287-A291 HydrophobicContact CG-CB 4.13Å; M287-A291 HydrophobicContact SD-CB 3.43Å; M287-A291 WeakPolarHBondContact SD-CB 3.37Å
288	R	92	Very high	93.7	Very high	38 Å²	38	16.7 Å²	16.7	14%	0.143	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-70.2	146.7	167.9	-70	176.2	53.8	100.9	-3.2	109.6	W286 D290 A291 W445	W286-R288 HydrophobicContact CH2-CG 4.32Å; W286-R288 HydrophobicContact CZ3-CB 4.32Å; W286-R288 HydrophobicContact CZ3-CG 3.64Å; R288-D290 VanDerWaalsContact CB-OD1 3.23Å; R288-D290 WeakPolarHBondContact CB-OD1 3.27Å; R288-D290 IonicContact CZ-OD1 2.84Å; R288-D290 IonicContact CZ-OD2 3.27Å; R288-D290 IonicContact NE-OD1 3.76Å; R288-D290 PolarHBondContact NE-OD1 3.43Å; R288-D290 IonicContact NE-OD2 3.52Å; R288-D290 IonicContact NH2-OD1 3Å; R288-D290 PolarHBondContact NH2-OD1 3.44Å; R288-D290 IonicContact NH2-OD2 2.72Å; R288-D290 PolarHBondContact NH2-OD2 2.86Å; R288-D290 PolarHBondContact O-N 3.27Å; R288-A291 HydrophobicContact CB-CB 4.15Å; R288-A291 WeakPolarHBondContact O-CB 3.43Å; R288-A291 PolarHBondContact O-N 2.9Å; R288-A291 VanDerWaalsContact O-N 3.12Å; R288-W445 HydrophobicContact CG-CD2 4.46Å; R288-W445 HydrophobicContact CG-CZ2 4.35Å
289	S	91.6	Very high	93.4	Very high	61 Å²	61	16.7 Å²	16.7	43%	0.427	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.9	-179.5	54.5	0	0	0	0	113.3	D215	D215-S289 PolarHBondContact N-O 3.29Å
290	D	89.8	Confident	93.1	Very high	37 Å²	37	20 Å²	20	20%	0.198	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.1	-178.8	63.7	-13	0	0	0	114.7	R288 L292 M293 D294	R288-D290 VanDerWaalsContact CB-OD1 3.23Å; R288-D290 WeakPolarHBondContact CB-OD1 3.27Å; R288-D290 IonicContact CZ-OD1 2.84Å; R288-D290 IonicContact CZ-OD2 3.27Å; R288-D290 IonicContact NE-OD1 3.76Å; R288-D290 PolarHBondContact NE-OD1 3.43Å; R288-D290 IonicContact NE-OD2 3.52Å; R288-D290 IonicContact NH2-OD1 3Å; R288-D290 PolarHBondContact NH2-OD1 3.44Å; R288-D290 IonicContact NH2-OD2 2.72Å; R288-D290 PolarHBondContact NH2-OD2 2.86Å; R288-D290 PolarHBondContact O-N 3.27Å; D290-L292 PolarHBondContact O-N 3.2Å; D290-M293 WeakPolarHBondContact O-CB 3.47Å; D290-M293 PolarHBondContact O-N 2.85Å; D290-D294 PolarHBondContact O-N 2.83Å; D290-D294 VanDerWaalsContact O-N 3.08Å
291	A	92.4	Very high	92.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-68.7	-39	-169.9	0	0	0	0	0	113.3	M287 R288 M293 D294 M295 Q442	M287-A291 HydrophobicContact CG-CB 4.13Å; M287-A291 HydrophobicContact SD-CB 3.43Å; M287-A291 WeakPolarHBondContact SD-CB 3.37Å; R288-A291 HydrophobicContact CB-CB 4.15Å; R288-A291 WeakPolarHBondContact O-CB 3.43Å; R288-A291 PolarHBondContact O-N 2.9Å; R288-A291 VanDerWaalsContact O-N 3.12Å; A291-M293 VanDerWaalsContact C-N 3.32Å; A291-M293 PolarHBondContact O-N 2.8Å; A291-D294 WeakPolarHBondContact O-CB 3.41Å; A291-D294 PolarHBondContact O-N 3.07Å; A291-M295 VanDerWaalsContact O-CG 3.3Å; A291-M295 WeakPolarHBondContact O-CG 3.37Å; A291-M295 PolarHBondContact O-N 3.19Å; A291-Q442 HydrophobicContact CB-CB 4.49Å
292	L	94.6	Very high	92.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-41	178	-178.2	58.3	0	0	0	111.3	V191 I193 M214 Y216 F219 L279 D290 D294 M295 V296	V191-L292 HydrophobicContact CB-CD1 4.39Å; V191-L292 HydrophobicContact CB-CD2 4.5Å; V191-L292 HydrophobicContact CG1-CD1 4.08Å; V191-L292 HydrophobicContact CG2-CD1 4.19Å; I193-L292 HydrophobicContact CD1-CD2 4.05Å; M214-L292 HydrophobicContact CE-CD2 4.13Å; M214-L292 HydrophobicContact SD-CB 4.11Å; M214-L292 HydrophobicContact SD-CD2 4.11Å; Y216-L292 HydrophobicContact CD1-CD2 3.69Å; Y216-L292 HydrophobicContact CD1-CG 4.23Å; Y216-L292 HydrophobicContact CD2-CB 4.5Å; Y216-L292 HydrophobicContact CD2-CD2 4.29Å; Y216-L292 HydrophobicContact CD2-CG 4.03Å; Y216-L292 HydrophobicContact CE1-CD2 4.38Å; Y216-L292 HydrophobicContact CE2-CG 4.48Å; Y216-L292 HydrophobicContact CG-CB 4.48Å; Y216-L292 HydrophobicContact CG-CD2 3.63Å; Y216-L292 HydrophobicContact CG-CG 3.89Å; F219-L292 HydrophobicContact CB-CD2 4.14Å; F219-L292 HydrophobicContact CG-CD2 4.34Å; L279-L292 HydrophobicContact CD2-CD1 4.05Å; D290-L292 PolarHBondContact O-N 3.2Å; L292-D294 VanDerWaalsContact C-N 3.33Å; L292-D294 PolarHBondContact O-N 3.12Å; L292-M295 PolarHBondContact O-N 2.99Å; L292-V296 HydrophobicContact CD1-CG2 4.1Å; L292-V296 HydrophobicContact CG-CG2 4.47Å; L292-V296 WeakPolarHBondContact O-CG2 3.36Å; L292-V296 PolarHBondContact O-N 3.38Å
293	M	92.2	Very high	92.2	Very high	34 Å²	34	29 Å²	29	17%	0.167	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-44.1	175.2	-169.9	64.8	80.2	0	0	111.7	W188 Y216 D290 A291 S297	W188-M293 HydrophobicContact CD2-CE 4.22Å; W188-M293 HydrophobicContact CD2-SD 3.73Å; W188-M293 HydrophobicContact CE3-SD 3.65Å; W188-M293 HydrophobicContact CH2-CE 4.43Å; W188-M293 HydrophobicContact CH2-CG 4.24Å; W188-M293 HydrophobicContact CH2-SD 3.13Å; W188-M293 WeakPolarHBondContact CH2-SD 3.09Å; W188-M293 HydrophobicContact CZ2-CE 3.94Å; W188-M293 HydrophobicContact CZ2-SD 3.21Å; W188-M293 WeakPolarHBondContact CZ2-SD 3.29Å; W188-M293 HydrophobicContact CZ3-SD 3.36Å; W188-M293 WeakPolarHBondContact CZ3-SD 3.45Å; Y216-M293 HydrophobicContact CD2-CB 4.23Å; Y216-M293 HydrophobicContact CD2-CE 3.72Å; Y216-M293 HydrophobicContact CD2-SD 3.81Å; Y216-M293 HydrophobicContact CE2-CE 4.15Å; Y216-M293 HydrophobicContact CE2-SD 3.77Å; D290-M293 WeakPolarHBondContact O-CB 3.47Å; D290-M293 PolarHBondContact O-N 2.85Å; A291-M293 VanDerWaalsContact C-N 3.32Å; A291-M293 PolarHBondContact O-N 2.8Å; M293-S297 WeakPolarHBondContact O-CB 3.12Å; M293-S297 PolarHBondContact O-N 3.37Å; M293-S297 PolarHBondContact O-OG 3.32Å
294	D	92	Very high	92.3	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-49.7	174.6	176.6	50.1	0	0	0	112.1	P75 D290 A291 L292 S297 S298 S440 H441 Q442	P75-D294 WeakPolarHBondContact CD-OD1 3.43Å; D290-D294 PolarHBondContact O-N 2.83Å; D290-D294 VanDerWaalsContact O-N 3.08Å; A291-D294 WeakPolarHBondContact O-CB 3.41Å; A291-D294 PolarHBondContact O-N 3.07Å; L292-D294 VanDerWaalsContact C-N 3.33Å; L292-D294 PolarHBondContact O-N 3.12Å; D294-S297 PolarHBondContact O-N 3.33Å; D294-S298 VanDerWaalsContact O-CB 3.24Å; D294-S298 WeakPolarHBondContact O-CB 3.22Å; D294-S298 PolarHBondContact O-N 3Å; D294-S298 PolarHBondContact O-OG 3.04Å; D294-S440 PolarHBondContact OD2-OG 2.86Å; D294-H441 IonicContact OD1-CE1 3.35Å; D294-H441 IonicContact OD1-CG 3.07Å; D294-H441 IonicContact OD1-ND1 2.85Å; D294-H441 PolarHBondContact OD1-ND1 2.98Å; D294-H441 PolarHBondContact OD2-N 3Å; D294-H441 IonicContact OD2-ND1 3.87Å; D294-Q442 HydrophobicContact CB-CG 4.3Å; D294-Q442 PolarHBondContact OD2-N 3.45Å
295	M	94.3	Very high	92.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-46.6	-178.2	-69.6	178.8	86.5	0	0	111.5	L279 A291 L292 S298 L299 I308 Q310 L401 S440	L279-M295 HydrophobicContact CD1-CE 3.93Å; L279-M295 HydrophobicContact CD1-SD 4.12Å; A291-M295 VanDerWaalsContact O-CG 3.3Å; A291-M295 WeakPolarHBondContact O-CG 3.37Å; A291-M295 PolarHBondContact O-N 3.19Å; L292-M295 PolarHBondContact O-N 2.99Å; M295-S298 PolarHBondContact O-N 2.92Å; M295-L299 WeakPolarHBondContact O-CB 3.44Å; M295-L299 PolarHBondContact O-N 3.09Å; M295-I308 HydrophobicContact CB-CG2 4.45Å; M295-I308 HydrophobicContact CE-CG2 4.28Å; M295-I308 WeakPolarHBondContact CE-O 3.43Å; M295-I308 HydrophobicContact CG-CG2 4.32Å; M295-Q310 HydrophobicContact CE-CG 4.1Å; M295-Q310 HydrophobicContact SD-CG 4.13Å; M295-L401 HydrophobicContact CB-CB 4.28Å; M295-L401 HydrophobicContact CB-CD2 3.76Å; M295-L401 HydrophobicContact CE-CB 3.58Å; M295-L401 HydrophobicContact SD-CB 4.49Å; M295-S440 WeakPolarHBondContact CG-OG 3.32Å
296	V	94.5	Very high	92.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.2	-45.2	179	174.1	0	0	0	0	111	W188 P189 V191 Y216 L277 L292 S298 L299 E300 L401	W188-V296 HydrophobicContact CE3-CG1 4.36Å; P189-V296 HydrophobicContact CG-CG1 3.56Å; V191-V296 HydrophobicContact CG2-CG2 3.73Å; Y216-V296 HydrophobicContact CE2-CB 4.23Å; Y216-V296 HydrophobicContact CE2-CG2 4.13Å; Y216-V296 WeakPolarHBondContact OH-CG1 3.42Å; L277-V296 HydrophobicContact CD1-CG1 4.23Å; L277-V296 HydrophobicContact CD1-CG2 4.27Å; L292-V296 HydrophobicContact CD1-CG2 4.1Å; L292-V296 HydrophobicContact CG-CG2 4.47Å; L292-V296 WeakPolarHBondContact O-CG2 3.36Å; L292-V296 PolarHBondContact O-N 3.38Å; V296-S298 VanDerWaalsContact C-N 3.3Å; V296-S298 PolarHBondContact O-N 2.8Å; V296-L299 PolarHBondContact O-N 2.82Å; V296-L299 VanDerWaalsContact O-N 3.15Å; V296-E300 HydrophobicContact CG1-CG 4.39Å; V296-E300 WeakPolarHBondContact O-CG 3.18Å; V296-E300 PolarHBondContact O-N 2.86Å; V296-L401 HydrophobicContact CB-CD2 4.41Å; V296-L401 HydrophobicContact CG2-CD2 3.78Å
297	S	90.6	Very high	92.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.014	17%	0.165	C	C	.	.	H	α-helix	trans	-56.9	-48.5	176.4	-63.9	0	0	0	0	110.2	I78 W188 M293 D294 L299 E300 V301	I78-S297 WeakPolarHBondContact CD1-O 3.38Å; W188-S297 WeakPolarHBondContact CH2-OG 3.37Å; W188-S297 WeakPolarHBondContact CZ3-OG 3.07Å; M293-S297 WeakPolarHBondContact O-CB 3.12Å; M293-S297 PolarHBondContact O-N 3.37Å; M293-S297 PolarHBondContact O-OG 3.32Å; D294-S297 PolarHBondContact O-N 3.33Å; S297-L299 VanDerWaalsContact C-N 3.29Å; S297-L299 PolarHBondContact O-N 2.81Å; S297-E300 PolarHBondContact O-N 2.95Å; S297-V301 PolarHBondContact O-N 2.96Å
298	S	90.3	Very high	92.7	Very high	8 Å²	8	30.2 Å²	30.2	6%	0.056	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-37.2	179	-59.4	0	0	0	0	112.7	D294 M295 V296 E300 V301 H441	D294-S298 VanDerWaalsContact O-CB 3.24Å; D294-S298 WeakPolarHBondContact O-CB 3.22Å; D294-S298 PolarHBondContact O-N 3Å; D294-S298 PolarHBondContact O-OG 3.04Å; M295-S298 PolarHBondContact O-N 2.92Å; V296-S298 VanDerWaalsContact C-N 3.3Å; V296-S298 PolarHBondContact O-N 2.8Å; S298-E300 VanDerWaalsContact C-N 3.31Å; S298-E300 PolarHBondContact O-N 3.29Å; S298-V301 WeakPolarHBondContact O-CB 3.46Å; S298-V301 PolarHBondContact O-N 2.95Å; S298-H441 PolarHBondContact OG-CE1 2.95Å; S298-H441 PolarHBondContact OG-ND1 3.43Å; S298-H441 VanDerWaalsContact OG-ND1 3.16Å
299	L	93.2	Very high	92.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-33.1	-179.5	-174.1	75.9	0	0	0	111.5	L277 M295 V296 S297 V301 V305 I308 L401 R403	L277-L299 HydrophobicContact CD1-CD2 4.21Å; L277-L299 HydrophobicContact CD2-CD2 3.58Å; M295-L299 WeakPolarHBondContact O-CB 3.44Å; M295-L299 PolarHBondContact O-N 3.09Å; V296-L299 PolarHBondContact O-N 2.82Å; V296-L299 VanDerWaalsContact O-N 3.15Å; S297-L299 VanDerWaalsContact C-N 3.29Å; S297-L299 PolarHBondContact O-N 2.81Å; L299-V301 VanDerWaalsContact C-N 3.35Å; L299-V305 HydrophobicContact CD1-CB 4.45Å; L299-V305 HydrophobicContact CD1-CG1 3.95Å; L299-V305 WeakPolarHBondContact CD1-O 3.38Å; L299-I308 VanDerWaalsContact CA-CD1 3.41Å; L299-I308 HydrophobicContact CB-CD1 3.8Å; L299-I308 HydrophobicContact CB-CG1 4.24Å; L299-I308 HydrophobicContact CD1-CD1 4.34Å; L299-I308 HydrophobicContact CD1-CG1 3.91Å; L299-L401 HydrophobicContact CB-CD2 4.24Å; L299-L401 HydrophobicContact CD2-CD2 3.92Å; L299-L401 HydrophobicContact CD2-CG 4.25Å; L299-R403 HydrophobicContact CD1-CG 4.45Å; L299-R403 HydrophobicContact CD2-CG 4.03Å; L299-R403 PolarHBondContact O-NH2 3.31Å
300	E	90.8	Very high	93.1	Very high	70 Å²	70	25.6 Å²	25.6	33%	0.327	14%	0.138	S	C	.	.	H	α-helix	trans	-82.5	-8.4	-179.6	-69.6	-61.5	121.4	0	0	113.5	I78 V296 S297 S298 R403	I78-E300 HydrophobicContact CD1-CB 4.2Å; V296-E300 HydrophobicContact CG1-CG 4.39Å; V296-E300 WeakPolarHBondContact O-CG 3.18Å; V296-E300 PolarHBondContact O-N 2.86Å; S297-E300 PolarHBondContact O-N 2.95Å; S298-E300 VanDerWaalsContact C-N 3.31Å; S298-E300 PolarHBondContact O-N 3.29Å; E300-R403 IonicContact OE1-CZ 3.02Å; E300-R403 IonicContact OE1-NH1 3.66Å; E300-R403 PolarHBondContact OE1-NH1 2.88Å; E300-R403 IonicContact OE1-NH2 3.45Å; E300-R403 PolarHBondContact OE1-NH2 2.82Å
301	V	87.7	Confident	93.3	Very high	99 Å²	99	23.9 Å²	23.9	60%	0.6	13%	0.129	S	C	*	.	H	α-helix	trans	-62.9	-48.5	175.6	178.1	0	0	0	0	111.5	I78 S297 S298 L299	I78-V301 HydrophobicContact CD1-CB 4.12Å; I78-V301 HydrophobicContact CD1-CG2 3.4Å; I78-V301 HydrophobicContact CG1-CG2 4.4Å; S297-V301 PolarHBondContact O-N 2.96Å; S298-V301 WeakPolarHBondContact O-CB 3.46Å; S298-V301 PolarHBondContact O-N 2.95Å; L299-V301 VanDerWaalsContact C-N 3.35Å
302	D	89.5	Confident	93.3	Very high	40 Å²	40	24.1 Å²	24.1	21%	0.214	13%	0.13	C	C	.	.			trans	-126.6	114.1	-177.8	178.5	0.7	0	0	0	108.3	K304 V305 K436	D302-K304 PolarHBondContact O-N 2.89Å; D302-K304 VanDerWaalsContact OD1-CB 3.28Å; D302-K304 WeakPolarHBondContact OD1-CB 3.22Å; D302-K304 PolarHBondContact OD1-N 3.36Å; D302-V305 HydrophobicContact CB-CG2 3.82Å; D302-V305 WeakPolarHBondContact O-CB 3.38Å; D302-V305 PolarHBondContact O-N 3.15Å; D302-K436 IonicContact OD2-NZ 2.76Å; D302-K436 PolarHBondContact OD2-NZ 3.43Å
303	P	92.6	Very high	93.3	Very high	100 Å²	100	24.1 Å²	24.1	65%	0.649	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.8	179.6	27	-35.5	0	0	0	112.9	V305 W435	P303-V305 VanDerWaalsContact C-N 3.31Å; P303-W435 VanDerWaalsContact O-CZ3 3.3Å; P303-W435 WeakPolarHBondContact O-CZ3 3.37Å
304	K	94.5	Very high	93.3	Very high	131 Å²	131	22.5 Å²	22.5	57%	0.57	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.4	172	-59.9	-174.9	176.8	-173.8	0	113	D302 G306 K436	D302-K304 PolarHBondContact O-N 2.89Å; D302-K304 VanDerWaalsContact OD1-CB 3.28Å; D302-K304 WeakPolarHBondContact OD1-CB 3.22Å; D302-K304 PolarHBondContact OD1-N 3.36Å; K304-G306 PolarHBondContact O-N 2.94Å; K304-K436 HydrophobicContact CB-CD 4.15Å; K304-K436 HydrophobicContact CB-CG 4.25Å; K304-K436 WeakPolarHBondContact O-CB 3.35Å; K304-K436 PolarHBondContact O-N 2.79Å
305	V	95.3	Very high	93.2	Very high	11 Å²	11	23.9 Å²	23.9	7%	0.067	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	113.5	174.4	-177.2	0	0	0	0	108	L299 D302 P303 L307 I308 R403 K436	L299-V305 HydrophobicContact CD1-CB 4.45Å; L299-V305 HydrophobicContact CD1-CG1 3.95Å; L299-V305 WeakPolarHBondContact CD1-O 3.38Å; D302-V305 HydrophobicContact CB-CG2 3.82Å; D302-V305 WeakPolarHBondContact O-CB 3.38Å; D302-V305 PolarHBondContact O-N 3.15Å; P303-V305 VanDerWaalsContact C-N 3.31Å; V305-L307 WeakPolarHBondContact CG1-O 3.38Å; V305-I308 HydrophobicContact CG1-CD1 4.23Å; V305-I308 HydrophobicContact CG1-CG1 3.74Å; V305-R403 PolarHBondContact O-NE 2.84Å; V305-R403 VanDerWaalsContact O-NE 3.1Å; V305-K436 WeakPolarHBondContact CA-O 3.39Å; V305-K436 HydrophobicContact CG2-CB 4.09Å
306	G	95.9	Very high	92.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-21.8	179.6	0	0	0	0	0	112.8	K304 L402 R403 W435 K436	K304-G306 PolarHBondContact O-N 2.94Å; G306-L402 VanDerWaalsContact O-CA 3.29Å; G306-L402 WeakPolarHBondContact O-CA 3.49Å; G306-R403 PolarHBondContact O-N 3.48Å; G306-W435 VanDerWaalsContact CA-CE3 3.43Å; G306-K436 PolarHBondContact N-O 3.05Å
307	L	96.8	Very high	92	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.3	-176.6	-174.7	155.8	0	0	0	111.3	V305 H309 V395 C400 L401 L402 I430 I437 S438	V305-L307 WeakPolarHBondContact CG1-O 3.38Å; L307-H309 HydrophobicContact CD2-CB 4.13Å; L307-V395 HydrophobicContact CD1-CG1 4.48Å; L307-V395 HydrophobicContact CD1-CG2 4.36Å; L307-V395 HydrophobicContact CD2-CB 4.28Å; L307-V395 HydrophobicContact CD2-CG1 3.93Å; L307-V395 HydrophobicContact CD2-CG2 3.3Å; L307-V395 HydrophobicContact CG-CG2 4.48Å; L307-C400 HydrophobicContact CD2-CB 4.16Å; L307-C400 HydrophobicContact CG-CB 4.36Å; L307-L401 CarbonylContact C-O 3.58Å; L307-L401 VanDerWaalsContact CA-O 3.3Å; L307-L401 WeakPolarHBondContact CA-O 3.4Å; L307-L402 HydrophobicContact CB-CB 4.33Å; L307-L402 HydrophobicContact CD1-CB 4.34Å; L307-L402 HydrophobicContact CG-CB 4.28Å; L307-I430 HydrophobicContact CD1-CD1 3.78Å; L307-I437 HydrophobicContact CD2-CG2 3.99Å; L307-I437 WeakPolarHBondContact O-CA 3.49Å; L307-S438 PolarHBondContact O-N 2.78Å
308	I	95.7	Very high	90.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134	169.6	-65.5	-161.3	0	0	0	110	M295 L299 V305 C400 L401 S438	M295-I308 HydrophobicContact CB-CG2 4.45Å; M295-I308 HydrophobicContact CE-CG2 4.28Å; M295-I308 WeakPolarHBondContact CE-O 3.43Å; M295-I308 HydrophobicContact CG-CG2 4.32Å; L299-I308 VanDerWaalsContact CA-CD1 3.41Å; L299-I308 HydrophobicContact CB-CD1 3.8Å; L299-I308 HydrophobicContact CB-CG1 4.24Å; L299-I308 HydrophobicContact CD1-CD1 4.34Å; L299-I308 HydrophobicContact CD1-CG1 3.91Å; V305-I308 HydrophobicContact CG1-CD1 4.23Å; V305-I308 HydrophobicContact CG1-CG1 3.74Å; I308-C400 CarbonylContact O-C 3.52Å; I308-C400 WeakPolarHBondContact O-CA 3.47Å; I308-L401 PolarHBondContact N-O 3.45Å; I308-L401 PolarHBondContact O-N 3Å; I308-S438 VanDerWaalsContact CA-O 3.29Å; I308-S438 WeakPolarHBondContact CA-O 3.43Å
309	H	96.4	Very high	88.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	164	176.3	76.3	99.3	0	0	0	111.2	L307 Y384 C394 V395 S399 C400 S438 L439 S440	L307-H309 HydrophobicContact CD2-CB 4.13Å; H309-Y384 AromaticContact CE1-CD1 3.72Å; H309-C394 PolarHBondContact CE1-O 2.87Å; H309-V395 HydrophobicContact CB-CB 4.41Å; H309-V395 HydrophobicContact CB-CG1 3.79Å; H309-V395 HydrophobicContact CB-CG2 4.34Å; H309-S399 WeakPolarHBondContact CA-O 3.4Å; H309-C400 HydrophobicContact CB-CB 3.95Å; H309-S438 PolarHBondContact CD2-O 3.4Å; H309-S438 PolarHBondContact N-O 3.05Å; H309-S438 VanDerWaalsContact N-O 3.09Å; H309-L439 WeakPolarHBondContact CE1-CD1 3.41Å; H309-L439 CarbonylContact O-C 3.51Å; H309-L439 WeakPolarHBondContact O-CA 3.24Å; H309-S440 PolarHBondContact O-N 3.47Å
310	Q	95.1	Very high	86.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-103.2	154.5	176.9	-57.3	-177.6	-78	0	0	110.5	M295 P312 S399 Q442 P443 A444	M295-Q310 HydrophobicContact CE-CG 4.1Å; M295-Q310 HydrophobicContact SD-CG 4.13Å; Q310-P312 WeakPolarHBondContact O-CD 3.26Å; Q310-S399 PolarHBondContact N-O 2.64Å; Q310-S399 PolarHBondContact OE1-OG 3.38Å; Q310-Q442 WeakPolarHBondContact CB-O 3.5Å; Q310-Q442 WeakPolarHBondContact CG-O 3.45Å; Q310-Q442 PolarHBondContact NE2-O 3.21Å; Q310-P443 PolarHBondContact NE2-O 3.28Å; Q310-A444 HydrophobicContact CB-CB 3.52Å; Q310-A444 HydrophobicContact CG-CB 4.44Å
311	V	94.3	Very high	83.8	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-73.8	123.2	169	-175.8	0	0	0	0	107.9	Y313 A381 L439 P443 A444	V311-Y313 PolarHBondContact O-N 2.98Å; V311-A381 HydrophobicContact CG1-CB 4.14Å; V311-L439 HydrophobicContact CG2-CD1 3.52Å; V311-L439 HydrophobicContact CG2-CD2 3.62Å; V311-L439 HydrophobicContact CG2-CG 3.99Å; V311-P443 CarbonylContact O-C 3.44Å; V311-P443 WeakPolarHBondContact O-CA 3.39Å; V311-P443 WeakPolarHBondContact O-CB 3.35Å; V311-A444 PolarHBondContact O-N 3.28Å
312	P	93.4	Very high	81.3	Confident	6 Å²	6	34.5 Å²	34.5	4%	0.039	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	130.8	174.7	-26.1	38.6	0	0	0	111	Q310 F376 T396	Q310-P312 WeakPolarHBondContact O-CD 3.26Å; P312-F376 HydrophobicContact CB-CD1 4.38Å; P312-F376 HydrophobicContact CB-CE1 4.31Å; P312-T396 HydrophobicContact CG-CG2 3.48Å; P312-T396 VanDerWaalsContact CG-CG2 3.48Å; P312-T396 WeakPolarHBondContact CG-OG1 3.43Å
313	Y	93.6	Very high	78.4	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	160.7	-175.5	-160.3	-110.1	0	0	0	110.7	V311 L373 S377 P443 A444 Q446 I526 Y527	V311-Y313 PolarHBondContact O-N 2.98Å; Y313-L373 HydrophobicContact CE1-CD1 4.31Å; Y313-S377 WeakPolarHBondContact CE2-OG 3.49Å; Y313-S377 PolarHBondContact OH-OG 3.14Å; Y313-P443 HydrophobicContact CG-CB 4.41Å; Y313-A444 PolarHBondContact N-O 2.92Å; Y313-Q446 WeakPolarHBondContact O-CG 3.4Å; Y313-Q446 PolarHBondContact O-N 2.93Å; Y313-I526 HydrophobicContact CD2-CG2 3.63Å; Y313-I526 HydrophobicContact CE1-CG2 4.4Å; Y313-I526 HydrophobicContact CE2-CB 4.06Å; Y313-I526 HydrophobicContact CE2-CG2 3.32Å; Y313-I526 HydrophobicContact CG-CG2 4.27Å; Y313-Y527 WeakPolarHBondContact OH-CA 3.5Å; Y313-Y527 PolarHBondContact OH-N 3.04Å
314	M	92.6	Very high	75.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.3	176.7	-68.6	-57.4	-66.7	0	0	110.4	P316 W369 Q372 L373 F376 Q446	M314-P316 WeakPolarHBondContact O-CD 3.26Å; M314-W369 HydrophobicContact CB-CZ2 4.33Å; M314-W369 HydrophobicContact CE-CD2 4.47Å; M314-W369 HydrophobicContact CE-CG 4.03Å; M314-Q372 HydrophobicContact CE-CB 4.14Å; M314-Q372 HydrophobicContact CG-CB 4.39Å; M314-Q372 HydrophobicContact SD-CB 3.89Å; M314-L373 HydrophobicContact CB-CB 4.47Å; M314-L373 HydrophobicContact CB-CD1 4Å; M314-L373 HydrophobicContact CG-CB 4.18Å; M314-L373 HydrophobicContact CG-CD1 4.44Å; M314-F376 HydrophobicContact CG-CD2 3.99Å; M314-F376 HydrophobicContact SD-CD2 3.8Å; M314-F376 HydrophobicContact SD-CE2 4.1Å; M314-Q446 HydrophobicContact SD-CG 3.97Å
315	K	90.4	Very high	72.5	Confident	32 Å²	32	39.8 Å²	39.8	14%	0.139	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-59.7	123.6	167.1	179.9	174.8	-176.6	-177.7	0	108.4	W286 W369 W445 Q446 N447	W286-K315 HydrophobicContact CB-CD 3.95Å; W286-K315 VanDerWaalsContact CD1-NZ 3.25Å; W286-K315 HydrophobicContact CD2-CD 4.34Å; W286-K315 HydrophobicContact CG-CD 4Å; K315-W369 WeakPolarHBondContact O-CZ2 3.47Å; K315-W445 HydrophobicContact CB-CB 4.19Å; K315-W445 HydrophobicContact CB-CE3 4.43Å; K315-W445 HydrophobicContact CG-CE3 3.94Å; K315-Q446 WeakPolarHBondContact CB-O 3.19Å; K315-Q446 PolarHBondContact N-O 3.21Å; K315-N447 VanDerWaalsContact CD-OD1 3.29Å; K315-N447 WeakPolarHBondContact CD-OD1 3.48Å
316	P	86.5	Confident	69.6	Low	5 Å²	5	46 Å²	46	3%	0.032	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-56.9	152.4	175.6	-20.5	30.5	0	0	0	112.2	M314 N318 W445 P528 T531	M314-P316 WeakPolarHBondContact O-CD 3.26Å; P316-N318 PolarHBondContact O-N 3.28Å; P316-W445 HydrophobicContact CG-CE3 4.29Å; P316-W445 HydrophobicContact CG-CH2 3.69Å; P316-W445 HydrophobicContact CG-CZ2 4.28Å; P316-W445 HydrophobicContact CG-CZ3 3.72Å; P316-P528 HydrophobicContact CG-CB 4.5Å; P316-P528 HydrophobicContact CG-CG 3.56Å; P316-T531 HydrophobicContact CB-CG2 4.36Å
317	Y	76.2	Confident	66.4	Low	64 Å²	64	54.5 Å²	54.5	25%	0.251	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-76.6	121.3	174.7	-144.9	-87.2	0	0	0	110.7	E363 P365	Y317-E363 HydrophobicContact CE1-CB 4.25Å; Y317-E363 WeakPolarHBondContact CE1-O 3.12Å; Y317-E363 WeakPolarHBondContact OH-CB 3.42Å; Y317-E363 PolarHBondContact OH-O 3.13Å; Y317-E363 VanDerWaalsContact OH-O 3.09Å; Y317-E363 PolarHBondContact OH-OE2 3.12Å; Y317-P365 HydrophobicContact CD2-CB 4.05Å; Y317-P365 HydrophobicContact CE2-CB 4.48Å
318	N	65	Low	63.1	Low	96 Å²	96	57.9 Å²	57.9	51%	0.513	31%	0.305	S	S	.	.			trans	-86	-7.4	-179.1	-79.2	-3.5	0	0	0	114.1	P316 I320 L321 S322	P316-N318 PolarHBondContact O-N 3.28Å; N318-I320 PolarHBondContact O-N 3.29Å; N318-L321 PolarHBondContact O-N 3.28Å; N318-L321 VanDerWaalsContact O-N 3.13Å; N318-S322 PolarHBondContact O-N 2.88Å
319	G	52.1	Low	59.9	Low	30 Å²	30	63.2 Å²	63.2	31%	0.309	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.9	-170	0	0	0	0	0	116.2
320	I	42.5	Very low	56.6	Low	81 Å²	81	72.7 Å²	72.7	42%	0.415	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-35.1	179.4	-61.2	173.6	0	0	0	111.3	N318 S323 C534	N318-I320 PolarHBondContact O-N 3.29Å; I320-S323 PolarHBondContact O-OG 2.76Å; I320-C534 HydrophobicContact CD1-CB 3.95Å
321	L	34.6	Very low	53.2	Low	69 Å²	69	81.8 Å²	81.8	36%	0.361	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-26.6	-169.7	-138.1	84.4	0	0	0	113.8	N318 S323 I324 R325 P532	N318-L321 PolarHBondContact O-N 3.28Å; N318-L321 VanDerWaalsContact O-N 3.13Å; L321-S323 VanDerWaalsContact C-N 3.3Å; L321-S323 PolarHBondContact O-N 3.2Å; L321-I324 PolarHBondContact O-N 2.94Å; L321-R325 PolarHBondContact O-N 3.25Å; L321-P532 HydrophobicContact CD1-CG 4.25Å
322	S	34	Very low	50	Low	58 Å²	58	84 Å²	84	41%	0.406	45%	0.447	S	S	.	.	H	α-helix	trans	-62.2	-38.8	174.4	47.4	0	0	0	0	111.6	N318 I324 R325 D326	N318-S322 PolarHBondContact O-N 2.88Å; S322-I324 VanDerWaalsContact C-N 3.25Å; S322-I324 PolarHBondContact O-N 3.15Å; S322-R325 PolarHBondContact O-N 2.92Å; S322-D326 PolarHBondContact O-N 2.74Å
323	S	29.4	Very low	46.6	Very low	70 Å²	70	95 Å²	95	49%	0.49	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-23.9	-179.8	72.6	0	0	0	0	115	I320 L321	I320-S323 PolarHBondContact O-OG 2.76Å; L321-S323 VanDerWaalsContact C-N 3.3Å; L321-S323 PolarHBondContact O-N 3.2Å
324	I	32.2	Very low	43.4	Very low	113 Å²	113	100.9 Å²	100.9	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-93.4	-36.8	179.8	-61.3	176.2	0	0	0	110.8	L321 S322 D326 K327	L321-I324 PolarHBondContact O-N 2.94Å; S322-I324 VanDerWaalsContact C-N 3.25Å; S322-I324 PolarHBondContact O-N 3.15Å; I324-D326 VanDerWaalsContact C-N 3.32Å; I324-D326 PolarHBondContact O-N 3.22Å; I324-K327 PolarHBondContact O-N 2.85Å
325	R	31.6	Very low	40.2	Very low	199 Å²	199	110.2 Å²	110.2	75%	0.751	57%	0.567	S	S	*	*	H	α-helix	trans	-67.1	-34.2	179.9	-121.8	-179.8	-169.6	172.2	3.9	112.4	L321 S322 K327 A328	L321-R325 PolarHBondContact O-N 3.25Å; S322-R325 PolarHBondContact O-N 2.92Å; R325-K327 PolarHBondContact O-N 2.85Å; R325-A328 PolarHBondContact O-N 2.91Å
326	D	33.5	Very low	36.9	Very low	140 Å²	140	117.3 Å²	117.3	75%	0.749	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-7.4	179.3	-63.3	-21.1	0	0	0	113.3	S322 I324	S322-D326 PolarHBondContact O-N 2.74Å; I324-D326 VanDerWaalsContact C-N 3.32Å; I324-D326 PolarHBondContact O-N 3.22Å
327	K	29.5	Very low	34.1	Very low	180 Å²	180	123.9 Å²	123.9	78%	0.783	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-3.9	176.5	-74	-170.3	178	-177.6	0	115.1	I324 R325 P329	I324-K327 PolarHBondContact O-N 2.85Å; R325-K327 PolarHBondContact O-N 2.85Å; K327-P329 WeakPolarHBondContact O-CD 3.23Å
328	A	26.2	Very low	31.5	Very low	70 Å²	70	127.8 Å²	127.8	58%	0.579	66%	0.657	S	S	*	*	S	Bend	trans	-104.1	95.6	174.3	0	0	0	0	0	109.4	R325 F330	R325-A328 PolarHBondContact O-N 2.91Å; A328-F330 PolarHBondContact O-N 3.35Å
329	P	29.5	Very low	29.6	Very low	112 Å²	112	128.6 Å²	128.6	73%	0.727	67%	0.669	S	S	*	*			trans	-60.3	112.5	169.2	23.9	-30.4	0	0	0	107.8	K327 Q331	K327-P329 WeakPolarHBondContact O-CD 3.23Å; P329-Q331 VanDerWaalsContact C-N 3.31Å; P329-Q331 PolarHBondContact O-N 3.49Å
330	F	26.6	Very low	28.3	Very low	200 Å²	200	134.5 Å²	134.5	88%	0.877	69%	0.693	S	S	*	*			trans	-63.9	96.5	171.4	-167.6	-97.4	0	0	0	107.5	A328 G332	A328-F330 PolarHBondContact O-N 3.35Å; F330-G332 PolarHBondContact O-N 2.9Å
331	Q	24.1	Very low	27.5	Very low	192 Å²	192	137.6 Å²	137.6	90%	0.897	71%	0.711	S	S	*	*			trans	-66.9	72.8	166	-76.4	-179.2	-16	0	0	108.9	P329	P329-Q331 VanDerWaalsContact C-N 3.31Å; P329-Q331 PolarHBondContact O-N 3.49Å
332	G	26.7	Very low	27.1	Very low	48 Å²	48	141.2 Å²	141.2	50%	0.495	73%	0.731	S	S	.	*			trans	-83.6	116.2	165.8	0	0	0	0	0	109.1	F330	F330-G332 PolarHBondContact O-N 2.9Å
333	R	22	Very low	26.9	Very low	235 Å²	235	146.2 Å²	146.2	89%	0.887	75%	0.747	S	S	*	*			trans	-43.9	137	-176.8	-64.6	177.7	-174.9	-176.4	0.5	113.8	K335	R333-K335 PolarHBondContact O-N 2.88Å
334	P	26.1	Very low	26.9	Very low	125 Å²	125	151.2 Å²	151.2	81%	0.812	76%	0.763	S	S	*	*			trans	-73.7	121.8	177.8	29.7	-30.9	0	0	0	110.3
335	K	25.4	Very low	26.7	Very low	196 Å²	196	152.1 Å²	152.1	85%	0.852	77%	0.774	S	S	*	*			trans	-78.8	120.8	159.7	-81.9	-178.6	174.6	178	0	107.4	R333 I337	R333-K335 PolarHBondContact O-N 2.88Å; K335-I337 PolarHBondContact O-N 2.94Å; K335-I337 VanDerWaalsContact O-N 3.15Å
336	H	21.3	Very low	26.5	Very low	180 Å²	180	148.2 Å²	148.2	83%	0.833	77%	0.772	S	S	*	*			trans	-41.8	113.4	172.2	-86.7	-104.8	0	0	0	111.7
337	I	27.1	Very low	26.2	Very low	144 Å²	144	149 Å²	149	74%	0.738	78%	0.776	S	S	*	*			trans	-125.6	106	157.1	-61.5	178.5	0	0	0	105.7	K335 C339	K335-I337 PolarHBondContact O-N 2.94Å; K335-I337 VanDerWaalsContact O-N 3.15Å; I337-C339 PolarHBondContact O-N 3.28Å
338	I	21.1	Very low	25.9	Very low	145 Å²	145	151.3 Å²	151.3	74%	0.744	78%	0.779	S	S	*	*			trans	-76.4	106.6	170.7	-61.8	165.8	0	0	0	105.3
339	C	25.8	Very low	25.9	Very low	113 Å²	113	152 Å²	152	76%	0.764	79%	0.785	S	S	*	*			trans	-117.5	118.5	166.1	-84.6	0	0	0	0	108.4	I337	I337-C339 PolarHBondContact O-N 3.28Å
340	N	24.5	Very low	25.7	Very low	154 Å²	154	157.9 Å²	157.9	82%	0.824	79%	0.793	S	S	*	*			trans	-59.3	147.8	179.2	-80.5	-21.2	0	0	0	112.3
341	N	25.4	Very low	25.7	Very low	146 Å²	146	154.7 Å²	154.7	78%	0.781	79%	0.79	S	S	*	*	S	Bend	trans	-47.3	131.5	165.7	-61.5	-27.4	0	0	0	110.9
342	D	27.9	Very low	25.9	Very low	146 Å²	146	150 Å²	150	78%	0.781	78%	0.778	S	S	*	*			trans	150.7	85.5	143.2	-72.9	-15.1	0	0	0	108.6
343	H	28	Very low	26.2	Very low	163 Å²	163	154.9 Å²	154.9	76%	0.755	79%	0.791	S	S	*	*			trans	161.3	66.4	148.6	-80.6	-33.4	0	0	0	110.5	T345	H343-T345 PolarHBondContact O-N 2.98Å
344	E	29.6	Very low	26.5	Very low	175 Å²	175	150.5 Å²	150.5	82%	0.818	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	15	179.4	-130.3	-172.3	171.9	0	0	114.2
345	T	29.1	Very low	26.9	Very low	131 Å²	131	151.9 Å²	151.9	80%	0.804	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	4.6	-170.5	8.6	0	0	0	0	117.1	H343	H343-T345 PolarHBondContact O-N 2.98Å
346	T	27.2	Very low	27.1	Very low	117 Å²	117	149.8 Å²	149.8	72%	0.718	78%	0.779	S	S	*	*	S	Bend	trans	-125.3	-1.7	-179.4	-11.3	0	0	0	0	116
347	L	26.5	Very low	27.8	Very low	157 Å²	157	150.4 Å²	150.4	82%	0.822	78%	0.775	S	S	*	*	S	Bend	trans	-95.1	-4.1	177.2	-90.1	156.8	0	0	0	115	A349	L347-A349 VanDerWaalsContact C-N 3.28Å; L347-A349 PolarHBondContact O-N 3.47Å
348	R	24.9	Very low	27.9	Very low	228 Å²	228	148.6 Å²	148.6	86%	0.86	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	2	176.6	-74.7	-169.6	-171.8	169.7	6.1	115.2
349	A	25.7	Very low	28.4	Very low	84 Å²	84	146.1 Å²	146.1	69%	0.694	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	5	-173.7	0	0	0	0	0	115.9	L347	L347-A349 VanDerWaalsContact C-N 3.28Å; L347-A349 PolarHBondContact O-N 3.47Å
350	R	24.8	Very low	28.8	Very low	237 Å²	237	144.7 Å²	144.7	89%	0.894	75%	0.747	S	S	*	*	S	Bend	trans	-129.4	10.6	-177.8	-86.7	-170.7	-177.2	179	2	117.5
351	T	27.3	Very low	29.4	Very low	133 Å²	133	143.7 Å²	143.7	82%	0.816	75%	0.746	S	S	*	*			trans	-110.1	67.3	168.3	54.8	0	0	0	0	109.9
352	S	28.6	Very low	30.1	Very low	93 Å²	93	141.5 Å²	141.5	65%	0.65	74%	0.741	S	S	*	*			trans	-138.8	56.6	164.9	66.3	0	0	0	0	108.6
353	I	32.7	Very low	31.3	Very low	151 Å²	151	139.6 Å²	139.6	77%	0.774	73%	0.727	S	S	*	*			trans	-110.1	89	146.1	-60.5	177.3	0	0	0	103.4	L355	I353-L355 PolarHBondContact O-N 3Å
354	D	28.2	Very low	33.1	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	72%	0.722	S	S	*	*			trans	-54.4	84.5	157.1	-66.6	-52.3	0	0	0	107.4	E356	D354-E356 PolarHBondContact O-N 3.46Å
355	L	34.5	Very low	35.5	Very low	153 Å²	153	130.6 Å²	130.6	80%	0.801	69%	0.687	S	S	*	*			trans	-72.7	74.2	147.8	-100	147.5	0	0	0	105.2	I353 Y357	I353-L355 PolarHBondContact O-N 3Å; L355-Y357 PolarHBondContact O-N 2.9Å
356	E	28.9	Very low	38.3	Very low	153 Å²	153	127.2 Å²	127.2	72%	0.715	67%	0.669	S	S	*	*			trans	-63	78.4	159.3	-158.1	-176.6	-178.1	0	0	105.6	D354 I358	D354-E356 PolarHBondContact O-N 3.46Å; E356-I358 HydrophobicContact CB-CG1 4.41Å; E356-I358 HydrophobicContact CG-CD1 4.41Å; E356-I358 HydrophobicContact CG-CG1 3.69Å; E356-I358 PolarHBondContact O-N 3.34Å
357	Y	35.9	Very low	41.4	Very low	193 Å²	193	125.4 Å²	125.4	76%	0.757	65%	0.651	S	S	*	*			trans	-66.6	82.9	158.6	-177.5	-96.2	0	0	0	104.9	L355 P359	L355-Y357 PolarHBondContact O-N 2.9Å; Y357-P359 HydrophobicContact CD1-CB 4.49Å; Y357-P359 HydrophobicContact CE1-CB 4.15Å; Y357-P359 WeakPolarHBondContact O-CD 3.42Å; Y357-P359 VanDerWaalsContact O-N 3.08Å
358	I	30	Very low	44.5	Very low	106 Å²	106	118.8 Å²	118.8	54%	0.544	62%	0.617	S	S	.	*			trans	-60.1	107.8	164.3	-58.6	173.5	0	0	0	103.6	E356 T360	E356-I358 HydrophobicContact CB-CG1 4.41Å; E356-I358 HydrophobicContact CG-CD1 4.41Å; E356-I358 HydrophobicContact CG-CG1 3.69Å; E356-I358 PolarHBondContact O-N 3.34Å; I358-T360 VanDerWaalsContact C-N 3.3Å; I358-T360 PolarHBondContact O-N 3.39Å
359	P	30.7	Very low	47.8	Very low	93 Å²	93	108.7 Å²	108.7	60%	0.604	58%	0.579	S	S	*	*			trans	-64.6	105.6	170.1	14.5	-4.4	0	0	0	104.5	Y357 V361	Y357-P359 HydrophobicContact CD1-CB 4.49Å; Y357-P359 HydrophobicContact CE1-CB 4.15Å; Y357-P359 WeakPolarHBondContact O-CD 3.42Å; Y357-P359 VanDerWaalsContact O-N 3.08Å; P359-V361 PolarHBondContact O-N 2.97Å
360	T	34.8	Very low	51	Low	83 Å²	83	104.7 Å²	104.7	51%	0.509	55%	0.546	S	S	.	.			trans	-54.6	112.9	176	44.7	0	0	0	0	106.8	I358 C362 E363	I358-T360 VanDerWaalsContact C-N 3.3Å; I358-T360 PolarHBondContact O-N 3.39Å; T360-C362 PolarHBondContact O-N 3.05Å; T360-C362 VanDerWaalsContact O-N 3.1Å; T360-E363 PolarHBondContact OG1-OE1 3.32Å
361	V	37.2	Very low	54.4	Low	132 Å²	132	93.4 Å²	93.4	80%	0.8	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	0.8	99.2	164.3	179.3	0	0	0	0	111.6	P359 E363	P359-V361 PolarHBondContact O-N 2.97Å; V361-E363 WeakPolarHBondContact O-CA 3.4Å; V361-E363 PolarHBondContact O-N 3.38Å
362	C	40.2	Very low	57.6	Low	101 Å²	101	87.1 Å²	87.1	68%	0.682	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	9.1	70.8	166.6	-64.9	0	0	0	0	112.9	T360 Q364	T360-C362 PolarHBondContact O-N 3.05Å; T360-C362 VanDerWaalsContact O-N 3.1Å; C362-Q364 VanDerWaalsContact C-N 3.33Å; C362-Q364 PolarHBondContact O-N 2.85Å
363	E	53.5	Low	60.7	Low	106 Å²	106	82.7 Å²	82.7	50%	0.495	43%	0.434	S	S	.	.			trans	-65.3	102.6	-171.9	-79	176.8	-171	0	0	105.8	Y317 T360 V361	Y317-E363 HydrophobicContact CE1-CB 4.25Å; Y317-E363 WeakPolarHBondContact CE1-O 3.12Å; Y317-E363 WeakPolarHBondContact OH-CB 3.42Å; Y317-E363 PolarHBondContact OH-O 3.13Å; Y317-E363 VanDerWaalsContact OH-O 3.09Å; Y317-E363 PolarHBondContact OH-OE2 3.12Å; T360-E363 PolarHBondContact OG1-OE1 3.32Å; V361-E363 WeakPolarHBondContact O-CA 3.4Å; V361-E363 PolarHBondContact O-N 3.38Å
364	Q	65.7	Low	63.7	Low	136 Å²	136	75.5 Å²	75.5	64%	0.636	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-66.7	142.5	177.8	-72.1	-71	-17.3	0	0	107.1	C362 S366	C362-Q364 VanDerWaalsContact C-N 3.33Å; C362-Q364 PolarHBondContact O-N 2.85Å; Q364-S366 PolarHBondContact O-N 3.07Å; Q364-S366 VanDerWaalsContact O-N 3.13Å
365	P	80	Confident	66.9	Low	12 Å²	12	69.3 Å²	69.3	8%	0.078	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-57	125.9	175.4	24.6	-32.9	0	0	0	109.1	Y317 W369 V370	Y317-P365 HydrophobicContact CD2-CB 4.05Å; Y317-P365 HydrophobicContact CE2-CB 4.48Å; P365-W369 HydrophobicContact CB-CB 4.46Å; P365-W369 HydrophobicContact CB-CD2 3.97Å; P365-W369 HydrophobicContact CB-CE3 3.52Å; P365-W369 HydrophobicContact CB-CG 4.38Å; P365-W369 HydrophobicContact CB-CZ3 4.04Å; P365-W369 HydrophobicContact CG-CE3 4.4Å; P365-V370 HydrophobicContact CB-CG2 4.49Å
366	S	87.9	Confident	69.8	Low	61 Å²	61	62 Å²	62	43%	0.427	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-57.1	150	174	67.5	0	0	0	0	110.4	Q364 T368 W369 V370	Q364-S366 PolarHBondContact O-N 3.07Å; Q364-S366 VanDerWaalsContact O-N 3.13Å; S366-T368 PolarHBondContact O-N 3.38Å; S366-T368 VanDerWaalsContact O-N 3.12Å; S366-W369 WeakPolarHBondContact O-CA 3.45Å; S366-W369 VanDerWaalsContact O-CB 3.3Å; S366-W369 WeakPolarHBondContact O-CB 3.26Å; S366-W369 PolarHBondContact O-N 3.02Å; S366-W369 PolarHBondContact OG-N 2.72Å; S366-V370 PolarHBondContact O-N 3.27Å; S366-V370 VanDerWaalsContact O-N 3.11Å
367	F	91.6	Very high	72.9	Confident	79 Å²	79	54.7 Å²	54.7	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-56.6	-32	175.7	-177.6	-110.1	0	0	0	112.3	W369 V370 V371 L453 V542 A543	F367-W369 VanDerWaalsContact C-N 3.32Å; F367-W369 PolarHBondContact O-N 3.01Å; F367-V370 HydrophobicContact CD2-CB 4.47Å; F367-V370 WeakPolarHBondContact O-CB 3.49Å; F367-V370 PolarHBondContact O-N 3Å; F367-V370 VanDerWaalsContact O-N 3.14Å; F367-V371 HydrophobicContact CD1-CG2 4.17Å; F367-V371 HydrophobicContact CE1-CG2 3.63Å; F367-V371 HydrophobicContact CE2-CG2 4.19Å; F367-V371 HydrophobicContact CZ-CG2 3.63Å; F367-V371 PolarHBondContact O-N 2.84Å; F367-L453 HydrophobicContact CD1-CD1 4.07Å; F367-L453 HydrophobicContact CE1-CD1 4.09Å; F367-V542 HydrophobicContact CE2-CB 4.37Å; F367-V542 HydrophobicContact CE2-CG1 4.03Å; F367-V542 HydrophobicContact CZ-CG1 3.78Å; F367-A543 HydrophobicContact CE2-CB 4.15Å; F367-A543 HydrophobicContact CZ-CB 4.41Å
368	T	92.6	Very high	75.7	Confident	18 Å²	18	45.7 Å²	45.7	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-40.1	171.7	-52.1	0	0	0	0	112.4	S366 Q372 C452 L453	S366-T368 PolarHBondContact O-N 3.38Å; S366-T368 VanDerWaalsContact O-N 3.12Å; T368-Q372 VanDerWaalsContact O-CG 3.29Å; T368-Q372 WeakPolarHBondContact O-CG 3.29Å; T368-Q372 PolarHBondContact O-N 3.41Å; T368-Q372 PolarHBondContact O-NE2 2.95Å; T368-C452 VanDerWaalsContact CG2-C 3.43Å; T368-L453 HydrophobicContact CG2-CD2 4.19Å; T368-L453 HydrophobicContact CG2-CG 4.5Å
369	W	92.2	Very high	78.8	Confident	15 Å²	15	41.3 Å²	41.3	6%	0.057	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-41.7	173.8	-177.8	103.2	0	0	0	111	M314 K315 P365 S366 F367 V371 Q372 L373 I535	M314-W369 HydrophobicContact CB-CZ2 4.33Å; M314-W369 HydrophobicContact CE-CD2 4.47Å; M314-W369 HydrophobicContact CE-CG 4.03Å; K315-W369 WeakPolarHBondContact O-CZ2 3.47Å; P365-W369 HydrophobicContact CB-CB 4.46Å; P365-W369 HydrophobicContact CB-CD2 3.97Å; P365-W369 HydrophobicContact CB-CE3 3.52Å; P365-W369 HydrophobicContact CB-CG 4.38Å; P365-W369 HydrophobicContact CB-CZ3 4.04Å; P365-W369 HydrophobicContact CG-CE3 4.4Å; S366-W369 WeakPolarHBondContact O-CA 3.45Å; S366-W369 VanDerWaalsContact O-CB 3.3Å; S366-W369 WeakPolarHBondContact O-CB 3.26Å; S366-W369 PolarHBondContact O-N 3.02Å; S366-W369 PolarHBondContact OG-N 2.72Å; F367-W369 VanDerWaalsContact C-N 3.32Å; F367-W369 PolarHBondContact O-N 3.01Å; W369-V371 PolarHBondContact O-N 3.2Å; W369-Q372 PolarHBondContact O-N 3.43Å; W369-L373 HydrophobicContact CE3-CB 4.28Å; W369-L373 HydrophobicContact CE3-CD2 4.49Å; W369-L373 HydrophobicContact CH2-CB 4.33Å; W369-L373 HydrophobicContact CH2-CD1 4.38Å; W369-L373 HydrophobicContact CH2-CD2 3.67Å; W369-L373 HydrophobicContact CH2-CG 4.34Å; W369-L373 HydrophobicContact CZ3-CB 4.07Å; W369-L373 HydrophobicContact CZ3-CD2 3.55Å; W369-L373 HydrophobicContact CZ3-CG 4.34Å; W369-L373 PolarHBondContact O-N 3.28Å; W369-I535 HydrophobicContact CZ3-CG2 3.97Å
370	V	93.9	Very high	81.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-46.4	178.6	-179.4	0	0	0	0	111.5	P365 S366 F367 Q372 L373 V374 I535 E539 A543	P365-V370 HydrophobicContact CB-CG2 4.49Å; S366-V370 PolarHBondContact O-N 3.27Å; S366-V370 VanDerWaalsContact O-N 3.11Å; F367-V370 HydrophobicContact CD2-CB 4.47Å; F367-V370 WeakPolarHBondContact O-CB 3.49Å; F367-V370 PolarHBondContact O-N 3Å; F367-V370 VanDerWaalsContact O-N 3.14Å; V370-Q372 VanDerWaalsContact C-N 3.3Å; V370-Q372 PolarHBondContact O-N 2.97Å; V370-L373 WeakPolarHBondContact O-CB 3.33Å; V370-L373 PolarHBondContact O-N 2.86Å; V370-V374 WeakPolarHBondContact O-CG2 3.42Å; V370-V374 PolarHBondContact O-N 3.3Å; V370-I535 HydrophobicContact CG1-CG2 4.12Å; V370-I535 HydrophobicContact CG2-CG2 3.91Å; V370-E539 HydrophobicContact CG1-CB 4.26Å; V370-A543 HydrophobicContact CG1-CB 3.79Å
371	V	95.4	Very high	84.6	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-59.3	-42.7	176	169.6	0	0	0	0	111.3	F367 W369 V374 F375 L453 F456 A543 F546	F367-V371 HydrophobicContact CD1-CG2 4.17Å; F367-V371 HydrophobicContact CE1-CG2 3.63Å; F367-V371 HydrophobicContact CE2-CG2 4.19Å; F367-V371 HydrophobicContact CZ-CG2 3.63Å; F367-V371 PolarHBondContact O-N 2.84Å; W369-V371 PolarHBondContact O-N 3.2Å; V371-V374 PolarHBondContact O-N 3.49Å; V371-F375 WeakPolarHBondContact O-CB 3.26Å; V371-F375 PolarHBondContact O-N 3.36Å; V371-L453 HydrophobicContact CB-CD2 3.85Å; V371-L453 HydrophobicContact CG1-CD2 4Å; V371-L453 HydrophobicContact CG2-CD2 3.82Å; V371-F456 HydrophobicContact CG1-CD1 4.11Å; V371-F456 HydrophobicContact CG1-CE1 3.9Å; V371-A543 HydrophobicContact CG2-CB 3.98Å; V371-F546 HydrophobicContact CB-CD1 4.44Å; V371-F546 HydrophobicContact CG1-CD1 3.55Å; V371-F546 HydrophobicContact CG1-CE1 3.67Å; V371-F546 HydrophobicContact CG2-CD1 3.95Å; V371-F546 HydrophobicContact CG2-CE1 4.37Å; V371-F546 HydrophobicContact CG2-CG 4.43Å
372	Q	94.8	Very high	87.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-41.3	177.7	-72.6	176.8	103.1	0	0	111.9	M314 T368 W369 V370 F375 F376 S448 S450 F456	M314-Q372 HydrophobicContact CE-CB 4.14Å; M314-Q372 HydrophobicContact CG-CB 4.39Å; M314-Q372 HydrophobicContact SD-CB 3.89Å; T368-Q372 VanDerWaalsContact O-CG 3.29Å; T368-Q372 WeakPolarHBondContact O-CG 3.29Å; T368-Q372 PolarHBondContact O-N 3.41Å; T368-Q372 PolarHBondContact O-NE2 2.95Å; W369-Q372 PolarHBondContact O-N 3.43Å; V370-Q372 VanDerWaalsContact C-N 3.3Å; V370-Q372 PolarHBondContact O-N 2.97Å; Q372-F375 PolarHBondContact O-N 2.68Å; Q372-F376 HydrophobicContact CB-CD2 4.41Å; Q372-F376 HydrophobicContact CB-CE2 4.48Å; Q372-F376 WeakPolarHBondContact O-CB 3.26Å; Q372-F376 WeakPolarHBondContact O-CD2 3.45Å; Q372-F376 PolarHBondContact O-N 3.39Å; Q372-S448 PolarHBondContact NE2-OG 3.18Å; Q372-S450 PolarHBondContact OE1-OG 3.08Å; Q372-F456 HydrophobicContact CG-CB 4.49Å; Q372-F456 HydrophobicContact CG-CD1 4.03Å; Q372-F456 HydrophobicContact CG-CD2 3.5Å; Q372-F456 VanDerWaalsContact CG-CD2 3.5Å; Q372-F456 HydrophobicContact CG-CE1 4.09Å; Q372-F456 HydrophobicContact CG-CE2 3.59Å; Q372-F456 HydrophobicContact CG-CG 3.73Å; Q372-F456 HydrophobicContact CG-CZ 3.88Å
373	L	94.7	Very high	89.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-55.7	-54.7	172.5	175.4	69.2	0	0	0	110.1	Y313 M314 W369 V370 F375 F376 S377 Y527 I535	Y313-L373 HydrophobicContact CE1-CD1 4.31Å; M314-L373 HydrophobicContact CB-CB 4.47Å; M314-L373 HydrophobicContact CB-CD1 4Å; M314-L373 HydrophobicContact CG-CB 4.18Å; M314-L373 HydrophobicContact CG-CD1 4.44Å; W369-L373 HydrophobicContact CE3-CB 4.28Å; W369-L373 HydrophobicContact CE3-CD2 4.49Å; W369-L373 HydrophobicContact CH2-CB 4.33Å; W369-L373 HydrophobicContact CH2-CD1 4.38Å; W369-L373 HydrophobicContact CH2-CD2 3.67Å; W369-L373 HydrophobicContact CH2-CG 4.34Å; W369-L373 HydrophobicContact CZ3-CB 4.07Å; W369-L373 HydrophobicContact CZ3-CD2 3.55Å; W369-L373 HydrophobicContact CZ3-CG 4.34Å; W369-L373 PolarHBondContact O-N 3.28Å; V370-L373 WeakPolarHBondContact O-CB 3.33Å; V370-L373 PolarHBondContact O-N 2.86Å; L373-F375 VanDerWaalsContact C-N 3.33Å; L373-F375 PolarHBondContact O-N 2.97Å; L373-F376 PolarHBondContact O-N 3.44Å; L373-S377 WeakPolarHBondContact CD1-OG 3.49Å; L373-S377 WeakPolarHBondContact O-CB 3.34Å; L373-S377 PolarHBondContact O-N 3.32Å; L373-S377 PolarHBondContact O-OG 2.86Å; L373-Y527 HydrophobicContact CD1-CD2 4.35Å; L373-Y527 HydrophobicContact CD1-CE2 4.39Å; L373-Y527 HydrophobicContact CD2-CE2 4.34Å; L373-I535 HydrophobicContact CD2-CD1 3.99Å; L373-I535 HydrophobicContact CD2-CG1 4.47Å; L373-I535 HydrophobicContact CD2-CG2 4.2Å
374	V	95.8	Very high	91.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-44.1	-179.3	174	0	0	0	0	111.7	V370 V371 F376 S377 C378 L523 Y540 A543 W544	V370-V374 WeakPolarHBondContact O-CG2 3.42Å; V370-V374 PolarHBondContact O-N 3.3Å; V371-V374 PolarHBondContact O-N 3.49Å; V374-F376 PolarHBondContact O-N 3.24Å; V374-S377 PolarHBondContact O-N 3.14Å; V374-C378 WeakPolarHBondContact O-CB 3.32Å; V374-C378 PolarHBondContact O-N 3.45Å; V374-C378 PolarHBondContact O-SG 3.1Å; V374-C378 VanDerWaalsContact O-SG 3.33Å; V374-L523 HydrophobicContact CG2-CD1 4.15Å; V374-Y540 HydrophobicContact CG1-CE2 4.25Å; V374-Y540 HydrophobicContact CG2-CD2 3.76Å; V374-Y540 HydrophobicContact CG2-CE2 4.14Å; V374-A543 HydrophobicContact CB-CB 4.29Å; V374-A543 HydrophobicContact CG2-CB 3.81Å; V374-W544 HydrophobicContact CG1-CB 4.11Å
375	F	95.2	Very high	93.1	Very high	12 Å²	12	15.8 Å²	15.8	5%	0.053	8%	0.084	C	C	.	.	H	α-helix	trans	-59.4	-47.9	176.5	174.4	-90.8	0	0	0	112.8	V371 Q372 L373 W379 H380 F456 I460 W463	V371-F375 WeakPolarHBondContact O-CB 3.26Å; V371-F375 PolarHBondContact O-N 3.36Å; Q372-F375 PolarHBondContact O-N 2.68Å; L373-F375 VanDerWaalsContact C-N 3.33Å; L373-F375 PolarHBondContact O-N 2.97Å; F375-W379 HydrophobicContact CD2-CE3 4.35Å; F375-W379 HydrophobicContact CE1-CE3 4.2Å; F375-W379 HydrophobicContact CE1-CZ3 4.3Å; F375-W379 HydrophobicContact CE2-CD2 4.49Å; F375-W379 AromaticContact CE2-CE3 3.54Å; F375-W379 HydrophobicContact CE2-CE3 3.54Å; F375-W379 AromaticContact CE2-CZ3 3.89Å; F375-W379 HydrophobicContact CE2-CZ3 3.89Å; F375-W379 AromaticContact CZ-CE3 3.45Å; F375-W379 HydrophobicContact CZ-CE3 3.45Å; F375-W379 VanDerWaalsContact CZ-CE3 3.45Å; F375-W379 AromaticContact CZ-CZ3 3.44Å; F375-W379 HydrophobicContact CZ-CZ3 3.44Å; F375-W379 VanDerWaalsContact CZ-CZ3 3.44Å; F375-W379 PolarHBondContact O-N 2.87Å; F375-H380 HydrophobicContact CD1-CB 4.48Å; F375-H380 HydrophobicContact CE1-CB 4.22Å; F375-H380 PolarHBondContact O-N 2.83Å; F375-F456 HydrophobicContact CB-CE1 4.34Å; F375-F456 HydrophobicContact CB-CZ 3.86Å; F375-F456 HydrophobicContact CD1-CE2 4.38Å; F375-F456 AromaticContact CD1-CZ 3.79Å; F375-F456 HydrophobicContact CD1-CZ 3.79Å; F375-F456 HydrophobicContact CD2-CZ 4.19Å; F375-F456 HydrophobicContact CE1-CZ 4.38Å; F375-F456 HydrophobicContact CG-CE1 4.41Å; F375-F456 AromaticContact CG-CZ 3.68Å; F375-F456 HydrophobicContact CG-CZ 3.68Å; F375-I460 HydrophobicContact CD1-CD1 4.37Å; F375-I460 HydrophobicContact CE1-CD1 3.6Å; F375-I460 HydrophobicContact CE2-CD1 4.14Å; F375-I460 HydrophobicContact CE2-CG1 4.28Å; F375-I460 HydrophobicContact CE2-CG2 4.17Å; F375-I460 HydrophobicContact CZ-CD1 3.45Å; F375-I460 VanDerWaalsContact CZ-CD1 3.45Å; F375-I460 HydrophobicContact CZ-CG1 4.09Å; F375-I460 HydrophobicContact CZ-CG2 4.21Å; F375-W463 HydrophobicContact CE1-CZ3 4.26Å
376	F	95	Very high	93.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-72.8	-34.1	-177.9	-76.5	-64.2	0	0	0	112.5	P312 M314 Q372 L373 V374 H380 A381 F456 W463	P312-F376 HydrophobicContact CB-CD1 4.38Å; P312-F376 HydrophobicContact CB-CE1 4.31Å; M314-F376 HydrophobicContact CG-CD2 3.99Å; M314-F376 HydrophobicContact SD-CD2 3.8Å; M314-F376 HydrophobicContact SD-CE2 4.1Å; Q372-F376 HydrophobicContact CB-CD2 4.41Å; Q372-F376 HydrophobicContact CB-CE2 4.48Å; Q372-F376 WeakPolarHBondContact O-CB 3.26Å; Q372-F376 WeakPolarHBondContact O-CD2 3.45Å; Q372-F376 PolarHBondContact O-N 3.39Å; L373-F376 PolarHBondContact O-N 3.44Å; V374-F376 PolarHBondContact O-N 3.24Å; F376-H380 HydrophobicContact CD1-CB 3.98Å; F376-H380 AromaticContact CD1-CG 3.81Å; F376-H380 AromaticContact CD1-ND1 3.58Å; F376-H380 AromaticContact CE1-ND1 3.94Å; F376-A381 WeakPolarHBondContact O-CB 3.22Å; F376-A381 PolarHBondContact O-N 3.5Å; F376-F456 HydrophobicContact CE2-CE2 4.45Å; F376-W463 AromaticContact CE1-CH2 3.94Å; F376-W463 HydrophobicContact CE1-CH2 3.94Å; F376-W463 HydrophobicContact CE1-CZ3 4.02Å; F376-W463 AromaticContact CZ-CH2 3.86Å; F376-W463 HydrophobicContact CZ-CH2 3.86Å; F376-W463 HydrophobicContact CZ-CZ3 4.13Å
377	S	94	Very high	93.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-77.6	-36.5	-179.9	-59.6	0	0	0	0	113.9	Y313 L373 V374	Y313-S377 WeakPolarHBondContact CE2-OG 3.49Å; Y313-S377 PolarHBondContact OH-OG 3.14Å; L373-S377 WeakPolarHBondContact CD1-OG 3.49Å; L373-S377 WeakPolarHBondContact O-CB 3.34Å; L373-S377 PolarHBondContact O-N 3.32Å; L373-S377 PolarHBondContact O-OG 2.86Å; V374-S377 PolarHBondContact O-N 3.14Å
378	C	95.6	Very high	93.9	Very high	4 Å²	4	10 Å²	10	3%	0.027	5%	0.053	C	C	.	.	I	π-helix	trans	-93.5	-83.7	-175.2	-57.5	0	0	0	0	109.4	V374 K382 D519	V374-C378 WeakPolarHBondContact O-CB 3.32Å; V374-C378 PolarHBondContact O-N 3.45Å; V374-C378 PolarHBondContact O-SG 3.1Å; V374-C378 VanDerWaalsContact O-SG 3.33Å; C378-K382 WeakPolarHBondContact O-CB 3.36Å; C378-K382 PolarHBondContact O-N 3.38Å; C378-D519 HydrophobicContact CB-CB 3.97Å; C378-D519 PolarHBondContact SG-O 3.42Å
379	W	93.3	Very high	93.7	Very high	14 Å²	14	9.1 Å²	9.1	5%	0.053	5%	0.048	C	C	.	.	I	π-helix	trans	-64.2	-52.9	-172.8	177.6	75.6	0	0	0	113.1	F375 K382 V383 E478 R482	F375-W379 HydrophobicContact CD2-CE3 4.35Å; F375-W379 HydrophobicContact CE1-CE3 4.2Å; F375-W379 HydrophobicContact CE1-CZ3 4.3Å; F375-W379 HydrophobicContact CE2-CD2 4.49Å; F375-W379 AromaticContact CE2-CE3 3.54Å; F375-W379 HydrophobicContact CE2-CE3 3.54Å; F375-W379 AromaticContact CE2-CZ3 3.89Å; F375-W379 HydrophobicContact CE2-CZ3 3.89Å; F375-W379 AromaticContact CZ-CE3 3.45Å; F375-W379 HydrophobicContact CZ-CE3 3.45Å; F375-W379 VanDerWaalsContact CZ-CE3 3.45Å; F375-W379 AromaticContact CZ-CZ3 3.44Å; F375-W379 HydrophobicContact CZ-CZ3 3.44Å; F375-W379 VanDerWaalsContact CZ-CZ3 3.44Å; F375-W379 PolarHBondContact O-N 2.87Å; W379-K382 PolarHBondContact O-N 2.89Å; W379-V383 HydrophobicContact CZ2-CG2 4.35Å; W379-V383 WeakPolarHBondContact O-CG2 3.46Å; W379-V383 PolarHBondContact O-N 3.16Å; W379-V383 VanDerWaalsContact O-N 3.16Å; W379-E478 HydrophobicContact CZ2-CG 4.34Å; W379-E478 WeakPolarHBondContact CZ2-OE1 3.39Å; W379-R482 VanDerWaalsContact CD1-NE 3.27Å; W379-R482 VanDerWaalsContact CD2-CZ 3.46Å; W379-R482 VanDerWaalsContact CE2-CZ 3.46Å; W379-R482 VanDerWaalsContact CG-NH1 3.28Å; W379-R482 VanDerWaalsContact NE1-CZ 3.31Å; W379-R482 VanDerWaalsContact NE1-NE 3.11Å
380	H	93.1	Very high	93.5	Very high	7 Å²	7	10.8 Å²	10.8	3%	0.032	6%	0.058	C	C	.	.	I	π-helix	trans	-63.6	-53.1	-172.9	-158.1	-110.7	0	0	0	110.4	F375 F376 K382 V383 Y384	F375-H380 HydrophobicContact CD1-CB 4.48Å; F375-H380 HydrophobicContact CE1-CB 4.22Å; F375-H380 PolarHBondContact O-N 2.83Å; F376-H380 HydrophobicContact CD1-CB 3.98Å; F376-H380 AromaticContact CD1-CG 3.81Å; F376-H380 AromaticContact CD1-ND1 3.58Å; F376-H380 AromaticContact CE1-ND1 3.94Å; H380-K382 VanDerWaalsContact C-N 3.33Å; H380-K382 PolarHBondContact O-N 3.17Å; H380-V383 WeakPolarHBondContact O-CB 3.49Å; H380-V383 PolarHBondContact O-N 3.33Å; H380-V383 VanDerWaalsContact O-N 3.12Å; H380-Y384 AromaticContact CD2-CE2 3.82Å; H380-Y384 AromaticContact CE1-CD2 3.89Å; H380-Y384 AromaticContact CE1-CE2 3.13Å; H380-Y384 WeakPolarHBondContact CE1-CE2 3.44Å; H380-Y384 AromaticContact CE1-CZ 3.84Å; H380-Y384 AromaticContact CG-CE2 3.86Å; H380-Y384 AromaticContact ND1-CD2 3.74Å; H380-Y384 AromaticContact ND1-CE2 3.43Å; H380-Y384 WeakPolarHBondContact ND1-CE2 3.23Å; H380-Y384 AromaticContact NE2-CE2 3.39Å; H380-Y384 WeakPolarHBondContact NE2-CE2 3.26Å; H380-Y384 WeakPolarHBondContact O-CD2 3.42Å; H380-Y384 PolarHBondContact O-N 2.97Å
381	A	94.8	Very high	93.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.8	-37.2	179.7	0	0	0	0	0	113.5	V311 F376 V383 Y384 L385 I526	V311-A381 HydrophobicContact CG1-CB 4.14Å; F376-A381 WeakPolarHBondContact O-CB 3.22Å; F376-A381 PolarHBondContact O-N 3.5Å; A381-V383 VanDerWaalsContact C-N 3.26Å; A381-V383 PolarHBondContact O-N 3.36Å; A381-Y384 PolarHBondContact O-N 3.35Å; A381-L385 HydrophobicContact CB-CD1 4.45Å; A381-L385 VanDerWaalsContact O-CB 3.28Å; A381-L385 WeakPolarHBondContact O-CB 3.22Å; A381-L385 VanDerWaalsContact O-CG 3.23Å; A381-L385 WeakPolarHBondContact O-CG 3.44Å; A381-L385 PolarHBondContact O-N 3.1Å; A381-I526 HydrophobicContact CB-CD1 3.19Å
382	K	94.8	Very high	92.6	Very high	15 Å²	15	21.6 Å²	21.6	7%	0.065	12%	0.119	C	C	.	.	H	α-helix	trans	-54.6	-44.1	173.4	178.9	164.1	58.7	-158.2	0	111.6	H60 A63 C378 W379 H380 T386 D519 L522	H60-K382 HydrophobicContact CB-CD 4.18Å; H60-K382 PolarHBondContact CE1-NZ 3.28Å; H60-K382 VanDerWaalsContact CE1-NZ 3.31Å; A63-K382 HydrophobicContact CB-CB 4.48Å; A63-K382 HydrophobicContact CB-CG 4.15Å; C378-K382 WeakPolarHBondContact O-CB 3.36Å; C378-K382 PolarHBondContact O-N 3.38Å; W379-K382 PolarHBondContact O-N 2.89Å; H380-K382 VanDerWaalsContact C-N 3.33Å; H380-K382 PolarHBondContact O-N 3.17Å; K382-T386 VanDerWaalsContact O-CB 3.24Å; K382-T386 WeakPolarHBondContact O-CB 3.29Å; K382-T386 PolarHBondContact O-N 3.45Å; K382-T386 PolarHBondContact O-OG1 2.91Å; K382-D519 IonicContact NZ-OD1 3.43Å; K382-D519 PolarHBondContact NZ-OD1 3.12Å; K382-L522 HydrophobicContact CB-CD2 3.73Å
383	V	92.8	Very high	92	Very high	62 Å²	62	22.4 Å²	22.4	38%	0.376	12%	0.123	S	C	.	.	H	α-helix	trans	-63.4	-51.3	177.9	173.7	0	0	0	0	111.2	W379 H380 A381 T386 A387	W379-V383 HydrophobicContact CZ2-CG2 4.35Å; W379-V383 WeakPolarHBondContact O-CG2 3.46Å; W379-V383 PolarHBondContact O-N 3.16Å; W379-V383 VanDerWaalsContact O-N 3.16Å; H380-V383 WeakPolarHBondContact O-CB 3.49Å; H380-V383 PolarHBondContact O-N 3.33Å; H380-V383 VanDerWaalsContact O-N 3.12Å; A381-V383 VanDerWaalsContact C-N 3.26Å; A381-V383 PolarHBondContact O-N 3.36Å; V383-T386 PolarHBondContact O-N 3.39Å; V383-A387 WeakPolarHBondContact O-CB 3.46Å; V383-A387 PolarHBondContact O-N 3.03Å
384	Y	93.7	Very high	91.3	Very high	30 Å²	30	25 Å²	25	12%	0.118	14%	0.141	C	C	.	.	H	α-helix	trans	-67.1	-39.4	-178.4	-73.8	-81.7	0	0	0	113.2	H309 H380 A381 A387 S388 C394 T396	H309-Y384 AromaticContact CE1-CD1 3.72Å; H380-Y384 AromaticContact CD2-CE2 3.82Å; H380-Y384 AromaticContact CE1-CD2 3.89Å; H380-Y384 AromaticContact CE1-CE2 3.13Å; H380-Y384 WeakPolarHBondContact CE1-CE2 3.44Å; H380-Y384 AromaticContact CE1-CZ 3.84Å; H380-Y384 AromaticContact CG-CE2 3.86Å; H380-Y384 AromaticContact ND1-CD2 3.74Å; H380-Y384 AromaticContact ND1-CE2 3.43Å; H380-Y384 WeakPolarHBondContact ND1-CE2 3.23Å; H380-Y384 AromaticContact NE2-CE2 3.39Å; H380-Y384 WeakPolarHBondContact NE2-CE2 3.26Å; H380-Y384 WeakPolarHBondContact O-CD2 3.42Å; H380-Y384 PolarHBondContact O-N 2.97Å; A381-Y384 PolarHBondContact O-N 3.35Å; Y384-A387 PolarHBondContact O-N 3.36Å; Y384-S388 WeakPolarHBondContact O-CB 3.41Å; Y384-S388 PolarHBondContact O-N 2.78Å; Y384-C394 WeakPolarHBondContact CD1-O 3.39Å; Y384-C394 WeakPolarHBondContact CE1-O 3.13Å; Y384-T396 HydrophobicContact CD1-CG2 4.21Å; Y384-T396 HydrophobicContact CE1-CG2 3.24Å; Y384-T396 HydrophobicContact CE2-CG2 4.14Å; Y384-T396 WeakPolarHBondContact OH-CG2 3.24Å
385	L	94.4	Very high	90.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.2	-40.4	178.6	-68.4	173.3	0	0	0	111.3	A63 Y66 L71 A381 S388 F389 L439 L522 I526	A63-L385 HydrophobicContact CB-CB 4.02Å; Y66-L385 HydrophobicContact CD1-CB 4.23Å; Y66-L385 HydrophobicContact CD1-CD2 3.94Å; Y66-L385 WeakPolarHBondContact CD1-O 3.44Å; Y66-L385 HydrophobicContact CE1-CD2 4.21Å; L71-L385 HydrophobicContact CD1-CD1 4.43Å; L71-L385 HydrophobicContact CD1-CD2 4.14Å; L71-L385 HydrophobicContact CG-CD2 4.26Å; A381-L385 HydrophobicContact CB-CD1 4.45Å; A381-L385 VanDerWaalsContact O-CB 3.28Å; A381-L385 WeakPolarHBondContact O-CB 3.22Å; A381-L385 VanDerWaalsContact O-CG 3.23Å; A381-L385 WeakPolarHBondContact O-CG 3.44Å; A381-L385 PolarHBondContact O-N 3.1Å; L385-S388 PolarHBondContact O-N 2.95Å; L385-F389 VanDerWaalsContact O-CB 3.26Å; L385-F389 WeakPolarHBondContact O-CB 3.5Å; L385-F389 PolarHBondContact O-N 3.4Å; L385-L439 HydrophobicContact CD2-CD2 3.95Å; L385-L522 HydrophobicContact CD1-CD1 4.09Å; L385-I526 HydrophobicContact CD1-CD1 3.64Å; L385-I526 HydrophobicContact CD1-CG1 4.27Å
386	T	92.6	Very high	90.3	Very high	13 Å²	13	24.9 Å²	24.9	8%	0.08	14%	0.141	C	C	.	.	H	α-helix	trans	-66.5	-43.3	174.1	-53.9	0	0	0	0	111.2	F59 K382 V383 S388 F389 L390	F59-T386 HydrophobicContact CB-CG2 3.86Å; F59-T386 HydrophobicContact CD1-CG2 3.91Å; F59-T386 HydrophobicContact CD2-CG2 4.28Å; F59-T386 HydrophobicContact CG-CG2 3.77Å; F59-T386 PolarHBondContact O-OG1 3.47Å; K382-T386 VanDerWaalsContact O-CB 3.24Å; K382-T386 WeakPolarHBondContact O-CB 3.29Å; K382-T386 PolarHBondContact O-N 3.45Å; K382-T386 PolarHBondContact O-OG1 2.91Å; V383-T386 PolarHBondContact O-N 3.39Å; T386-S388 VanDerWaalsContact C-N 3.31Å; T386-S388 PolarHBondContact O-N 2.92Å; T386-F389 WeakPolarHBondContact O-CB 3.38Å; T386-F389 PolarHBondContact O-N 3.5Å; T386-L390 HydrophobicContact CG2-CD1 3.99Å; T386-L390 HydrophobicContact CG2-CG 4.42Å; T386-L390 WeakPolarHBondContact O-CB 3.34Å; T386-L390 WeakPolarHBondContact O-CG 3.4Å; T386-L390 PolarHBondContact O-N 2.89Å
387	A	91.5	Very high	89.6	Confident	13 Å²	13	25.3 Å²	25.3	11%	0.107	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-42.2	177	0	0	0	0	0	111.7	V383 Y384 L390 N391 V392	V383-A387 WeakPolarHBondContact O-CB 3.46Å; V383-A387 PolarHBondContact O-N 3.03Å; Y384-A387 PolarHBondContact O-N 3.36Å; A387-L390 CarbonylContact O-C 3.5Å; A387-L390 PolarHBondContact O-N 3.47Å; A387-N391 PolarHBondContact O-N 3.25Å; A387-V392 HydrophobicContact CB-CG2 4.5Å; A387-V392 PolarHBondContact O-N 2.69Å
388	S	91.7	Very high	89.4	Confident	4 Å²	4	26.3 Å²	26.3	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-68.5	-41.8	176	-169.6	0	0	0	0	112.3	Y66 Y384 L385 T386 L390 N391 N393 L439	Y66-S388 PolarHBondContact OH-OG 3.48Å; Y384-S388 WeakPolarHBondContact O-CB 3.41Å; Y384-S388 PolarHBondContact O-N 2.78Å; L385-S388 PolarHBondContact O-N 2.95Å; T386-S388 VanDerWaalsContact C-N 3.31Å; T386-S388 PolarHBondContact O-N 2.92Å; S388-L390 PolarHBondContact O-N 2.87Å; S388-N391 PolarHBondContact O-N 3.41Å; S388-N391 VanDerWaalsContact O-N 3.08Å; S388-N393 WeakPolarHBondContact CA-OD1 3.39Å; S388-N393 VanDerWaalsContact CB-OD1 3.25Å; S388-N393 WeakPolarHBondContact CB-OD1 3.25Å; S388-N393 PolarHBondContact N-OD1 2.93Å; S388-L439 WeakPolarHBondContact OG-CB 3.23Å
389	F	89.2	Confident	89.4	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-56.3	-40.3	173.1	176.7	-98.5	0	0	0	112.3	C62 Y66 T113 L116 Q117 L385 T386	C62-F389 HydrophobicContact CB-CD1 4Å; C62-F389 HydrophobicContact CB-CE1 4.07Å; C62-F389 HydrophobicContact CB-CG 4.32Å; C62-F389 HydrophobicContact CB-CZ 4.43Å; Y66-F389 HydrophobicContact CD1-CB 4.41Å; Y66-F389 HydrophobicContact CD2-CB 4.38Å; Y66-F389 HydrophobicContact CD2-CD2 4.08Å; Y66-F389 HydrophobicContact CG-CB 4.11Å; Y66-F389 HydrophobicContact CG-CD2 4.27Å; T113-F389 HydrophobicContact CG2-CE2 4.11Å; T113-F389 WeakPolarHBondContact O-CE2 3.46Å; T113-F389 WeakPolarHBondContact O-CZ 3.24Å; L116-F389 HydrophobicContact CB-CE1 4.22Å; L116-F389 HydrophobicContact CB-CZ 3.63Å; Q117-F389 HydrophobicContact CB-CZ 4.34Å; Q117-F389 HydrophobicContact CG-CD1 4.47Å; Q117-F389 HydrophobicContact CG-CD2 3.96Å; Q117-F389 HydrophobicContact CG-CE1 4Å; Q117-F389 HydrophobicContact CG-CE2 3.45Å; Q117-F389 VanDerWaalsContact CG-CE2 3.45Å; Q117-F389 HydrophobicContact CG-CG 4.44Å; Q117-F389 HydrophobicContact CG-CZ 3.46Å; Q117-F389 VanDerWaalsContact CG-CZ 3.46Å; Q117-F389 PolarHBondContact NE2-O 3.45Å; L385-F389 VanDerWaalsContact O-CB 3.26Å; L385-F389 WeakPolarHBondContact O-CB 3.5Å; L385-F389 PolarHBondContact O-N 3.4Å; T386-F389 WeakPolarHBondContact O-CB 3.38Å; T386-F389 PolarHBondContact O-N 3.5Å
390	L	87.3	Confident	89.6	Confident	50 Å²	50	25.6 Å²	25.6	26%	0.262	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.8	178.9	-65.9	178	0	0	0	114.1	F59 F120 T386 A387 S388 V392	F59-L390 HydrophobicContact CE1-CD1 4.03Å; F59-L390 HydrophobicContact CZ-CD1 4.13Å; F120-L390 HydrophobicContact CB-CD2 3.63Å; F120-L390 HydrophobicContact CD1-CD2 4.48Å; F120-L390 HydrophobicContact CD2-CD2 4.22Å; F120-L390 HydrophobicContact CG-CD2 3.87Å; T386-L390 HydrophobicContact CG2-CD1 3.99Å; T386-L390 HydrophobicContact CG2-CG 4.42Å; T386-L390 WeakPolarHBondContact O-CB 3.34Å; T386-L390 WeakPolarHBondContact O-CG 3.4Å; T386-L390 PolarHBondContact O-N 2.89Å; A387-L390 CarbonylContact O-C 3.5Å; A387-L390 PolarHBondContact O-N 3.47Å; S388-L390 PolarHBondContact O-N 2.87Å; L390-V392 HydrophobicContact CB-CG2 3.78Å; L390-V392 PolarHBondContact O-N 3.49Å
391	N	85.9	Confident	89.8	Confident	126 Å²	126	25.2 Å²	25.2	67%	0.674	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	33.3	-172.7	-62.2	-69.4	0	0	0	114.4	A387 S388	A387-N391 PolarHBondContact O-N 3.25Å; S388-N391 PolarHBondContact O-N 3.41Å; S388-N391 VanDerWaalsContact O-N 3.08Å
392	V	84.4	Confident	89.9	Confident	101 Å²	101	25.2 Å²	25.2	61%	0.612	15%	0.146	S	C	*	.			trans	-115.2	50.2	174	-67.2	0	0	0	0	110.1	A387 L390 C394	A387-V392 HydrophobicContact CB-CG2 4.5Å; A387-V392 PolarHBondContact O-N 2.69Å; L390-V392 HydrophobicContact CB-CG2 3.78Å; L390-V392 PolarHBondContact O-N 3.49Å; V392-C394 PolarHBondContact O-N 3.23Å
393	N	82.9	Confident	90.1	Very high	18 Å²	18	26.3 Å²	26.3	10%	0.096	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-63.3	126.9	-173.2	-76	-41.8	0	0	0	112.5	S388 I437	S388-N393 WeakPolarHBondContact CA-OD1 3.39Å; S388-N393 VanDerWaalsContact CB-OD1 3.25Å; S388-N393 WeakPolarHBondContact CB-OD1 3.25Å; S388-N393 PolarHBondContact N-OD1 2.93Å; N393-I437 HydrophobicContact CB-CB 4.02Å; N393-I437 HydrophobicContact CB-CG2 3.56Å; N393-I437 PolarHBondContact ND2-O 3.44Å
394	C	79	Confident	90.3	Very high	54 Å²	54	25.5 Å²	25.5	37%	0.365	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-97.9	133.8	158.6	-169.6	0	0	0	0	107.5	H309 Y384 V392	H309-C394 PolarHBondContact CE1-O 2.87Å; Y384-C394 WeakPolarHBondContact CD1-O 3.39Å; Y384-C394 WeakPolarHBondContact CE1-O 3.13Å; V392-C394 PolarHBondContact O-N 3.23Å
395	V	87	Confident	90.4	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-88	158.4	-179.3	171.1	0	0	0	0	109.8	L307 H309 C400 T427 I437	L307-V395 HydrophobicContact CD1-CG1 4.48Å; L307-V395 HydrophobicContact CD1-CG2 4.36Å; L307-V395 HydrophobicContact CD2-CB 4.28Å; L307-V395 HydrophobicContact CD2-CG1 3.93Å; L307-V395 HydrophobicContact CD2-CG2 3.3Å; L307-V395 HydrophobicContact CG-CG2 4.48Å; H309-V395 HydrophobicContact CB-CB 4.41Å; H309-V395 HydrophobicContact CB-CG1 3.79Å; H309-V395 HydrophobicContact CB-CG2 4.34Å; V395-C400 HydrophobicContact CG1-CB 4.05Å; V395-T427 HydrophobicContact CB-CG2 3.95Å; V395-T427 WeakPolarHBondContact CB-OG1 3.43Å; V395-T427 HydrophobicContact CG2-CG2 3.4Å; V395-T427 VanDerWaalsContact CG2-OG1 3.25Å; V395-T427 WeakPolarHBondContact CG2-OG1 3.32Å; V395-I437 HydrophobicContact CG2-CG2 3.53Å
396	T	84.4	Confident	90.5	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.043	16%	0.159	C	C	.	.			trans	-109.2	140.4	169.5	77.7	0	0	0	0	109.9	P312 Y384 M398	P312-T396 HydrophobicContact CG-CG2 3.48Å; P312-T396 VanDerWaalsContact CG-CG2 3.48Å; P312-T396 WeakPolarHBondContact CG-OG1 3.43Å; Y384-T396 HydrophobicContact CD1-CG2 4.21Å; Y384-T396 HydrophobicContact CE1-CG2 3.24Å; Y384-T396 HydrophobicContact CE2-CG2 4.14Å; Y384-T396 WeakPolarHBondContact OH-CG2 3.24Å; T396-M398 PolarHBondContact O-N 3.26Å; T396-M398 VanDerWaalsContact O-N 3.15Å
397	G	79.9	Confident	90.7	Very high	9 Å²	9	26.8 Å²	26.8	9%	0.093	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	0.1	-179.1	0	0	0	0	0	115.2	K262 D423	K262-G397 PolarHBondContact NZ-O 3.32Å; G397-D423 WeakPolarHBondContact CA-OD2 3.49Å; G397-D423 VanDerWaalsContact N-CB 3.34Å; G397-D423 PolarHBondContact N-OD2 3.06Å
398	M	90.2	Very high	90.6	Very high	21 Å²	21	29.5 Å²	29.5	10%	0.103	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-39.2	-174	-165.9	176.5	-167	0	0	113.1	S281 D282 L285 T396 Q446	S281-M398 WeakPolarHBondContact CA-O 3.19Å; D282-M398 HydrophobicContact CB-CG 4.07Å; D282-M398 PolarHBondContact N-O 3.49Å; L285-M398 HydrophobicContact CB-CE 3.91Å; L285-M398 HydrophobicContact CD1-CE 3.91Å; L285-M398 HydrophobicContact CD1-CG 4.13Å; L285-M398 HydrophobicContact CD1-SD 4.01Å; T396-M398 PolarHBondContact O-N 3.26Å; T396-M398 VanDerWaalsContact O-N 3.15Å; M398-Q446 HydrophobicContact CE-CB 3.2Å; M398-Q446 HydrophobicContact CE-CG 4.36Å; M398-Q446 HydrophobicContact SD-CB 3.83Å
399	S	95.3	Very high	90.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	109.5	-179.5	-166.8	0	0	0	0	110.6	I280 H309 Q310	I280-S399 WeakPolarHBondContact O-CA 3.44Å; H309-S399 WeakPolarHBondContact CA-O 3.4Å; Q310-S399 PolarHBondContact N-O 2.64Å; Q310-S399 PolarHBondContact OE1-OG 3.38Å
400	C	96.8	Very high	90.7	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.02	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	134.7	174.7	65	0	0	0	0	112.9	L279 I280 L307 I308 H309 V395	L279-C400 WeakPolarHBondContact CA-O 3.48Å; L279-C400 WeakPolarHBondContact CD1-O 3.37Å; I280-C400 PolarHBondContact N-O 2.85Å; I280-C400 PolarHBondContact O-N 2.97Å; L307-C400 HydrophobicContact CD2-CB 4.16Å; L307-C400 HydrophobicContact CG-CB 4.36Å; I308-C400 CarbonylContact O-C 3.52Å; I308-C400 WeakPolarHBondContact O-CA 3.47Å; H309-C400 HydrophobicContact CB-CB 3.95Å; V395-C400 HydrophobicContact CG1-CB 4.05Å
401	L	97.7	Very high	91	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.1	173.1	-180	74	0	0	0	108.6	V191 L277 L278 L279 M295 V296 L299 L307 I308	V191-L401 HydrophobicContact CG1-CD1 3.83Å; L277-L401 HydrophobicContact CB-CD1 4.26Å; L278-L401 CarbonylContact O-C 3.47Å; L278-L401 WeakPolarHBondContact O-CA 3.37Å; L279-L401 HydrophobicContact CB-CD1 4.05Å; L279-L401 HydrophobicContact CD1-CB 4.33Å; M295-L401 HydrophobicContact CB-CB 4.28Å; M295-L401 HydrophobicContact CB-CD2 3.76Å; M295-L401 HydrophobicContact CE-CB 3.58Å; M295-L401 HydrophobicContact SD-CB 4.49Å; V296-L401 HydrophobicContact CB-CD2 4.41Å; V296-L401 HydrophobicContact CG2-CD2 3.78Å; L299-L401 HydrophobicContact CB-CD2 4.24Å; L299-L401 HydrophobicContact CD2-CD2 3.92Å; L299-L401 HydrophobicContact CD2-CG 4.25Å; L307-L401 CarbonylContact C-O 3.58Å; L307-L401 VanDerWaalsContact CA-O 3.3Å; L307-L401 WeakPolarHBondContact CA-O 3.4Å; I308-L401 PolarHBondContact N-O 3.45Å; I308-L401 PolarHBondContact O-N 3Å
402	L	97.3	Very high	91.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.8	178.9	62.6	149	0	0	0	111.9	L278 I280 G306 L307 L407 F413 I430	L278-L402 HydrophobicContact CB-CD2 4.08Å; L278-L402 HydrophobicContact CB-CG 4.1Å; L278-L402 PolarHBondContact N-O 3.28Å; L278-L402 WeakPolarHBondContact O-CD2 3.35Å; L278-L402 PolarHBondContact O-N 3.45Å; I280-L402 HydrophobicContact CD1-CD2 3.79Å; I280-L402 HydrophobicContact CG1-CD2 3.94Å; G306-L402 VanDerWaalsContact O-CA 3.29Å; G306-L402 WeakPolarHBondContact O-CA 3.49Å; L307-L402 HydrophobicContact CB-CB 4.33Å; L307-L402 HydrophobicContact CD1-CB 4.34Å; L307-L402 HydrophobicContact CG-CB 4.28Å; L402-L407 HydrophobicContact CD1-CD1 3.53Å; L402-L407 HydrophobicContact CD1-CG 3.98Å; L402-F413 HydrophobicContact CD1-CZ 4.47Å; L402-I430 HydrophobicContact CD1-CD1 4.48Å
403	R	97.8	Very high	92	Very high	38 Å²	38	24.5 Å²	24.5	14%	0.143	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.9	168.8	-56.9	-179.4	178.4	-78.6	-0.6	108.7	L277 L299 E300 V305 G306 S405 T406	L277-R403 HydrophobicContact CD2-CG 4.04Å; L299-R403 HydrophobicContact CD1-CG 4.45Å; L299-R403 HydrophobicContact CD2-CG 4.03Å; L299-R403 PolarHBondContact O-NH2 3.31Å; E300-R403 IonicContact OE1-CZ 3.02Å; E300-R403 IonicContact OE1-NH1 3.66Å; E300-R403 PolarHBondContact OE1-NH1 2.88Å; E300-R403 IonicContact OE1-NH2 3.45Å; E300-R403 PolarHBondContact OE1-NH2 2.82Å; V305-R403 PolarHBondContact O-NE 2.84Å; V305-R403 VanDerWaalsContact O-NE 3.1Å; G306-R403 PolarHBondContact O-N 3.48Å; R403-S405 PolarHBondContact O-N 3.36Å; R403-T406 HydrophobicContact CB-CG2 4.01Å; R403-T406 WeakPolarHBondContact O-CB 3.22Å; R403-T406 WeakPolarHBondContact O-CG2 3.48Å; R403-T406 PolarHBondContact O-N 2.68Å; R403-T406 PolarHBondContact O-OG1 3.49Å
404	K	97.5	Very high	92.6	Very high	45 Å²	45	27.3 Å²	27.3	20%	0.196	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-55.7	-34.5	177.3	-169.7	167.8	-171.7	169.5	0	111.6	Y270 S273 Y275 S276 L278 T406 L407	Y270-K404 HydrophobicContact CD2-CG 4.43Å; Y270-K404 HydrophobicContact CE2-CD 4.25Å; Y270-K404 HydrophobicContact CE2-CG 3.66Å; Y270-K404 PolarHBondContact O-NZ 3.35Å; S273-K404 PolarHBondContact O-NZ 2.93Å; S273-K404 PolarHBondContact OG-NZ 3.1Å; Y275-K404 WeakPolarHBondContact O-CD 3.42Å; S276-K404 WeakPolarHBondContact O-CB 3.36Å; S276-K404 PolarHBondContact O-N 2.87Å; L278-K404 HydrophobicContact CD1-CB 4.16Å; L278-K404 HydrophobicContact CD1-CD 4.47Å; L278-K404 HydrophobicContact CD1-CG 4.01Å; L278-K404 HydrophobicContact CD2-CD 4.27Å; L278-K404 HydrophobicContact CG-CB 4.09Å; L278-K404 HydrophobicContact CG-CG 4.33Å; K404-T406 PolarHBondContact O-N 3.03Å; K404-T406 VanDerWaalsContact O-N 3.15Å; K404-L407 PolarHBondContact O-N 3.28Å
405	S	96.2	Very high	93.3	Very high	69 Å²	69	28.9 Å²	28.9	48%	0.483	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-61.5	-17.4	174.4	58.2	0	0	0	0	114.7	R403 L407 S408	R403-S405 PolarHBondContact O-N 3.36Å; S405-L407 PolarHBondContact O-N 3.08Å; S405-S408 PolarHBondContact O-OG 3.38Å; S405-S408 VanDerWaalsContact O-OG 3.1Å
406	T	96.5	Very high	93.7	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-70.1	-16.5	172.7	65.6	0	0	0	0	113	R403 K404 I430 W435	R403-T406 HydrophobicContact CB-CG2 4.01Å; R403-T406 WeakPolarHBondContact O-CB 3.22Å; R403-T406 WeakPolarHBondContact O-CG2 3.48Å; R403-T406 PolarHBondContact O-N 2.68Å; R403-T406 PolarHBondContact O-OG1 3.49Å; K404-T406 PolarHBondContact O-N 3.03Å; K404-T406 VanDerWaalsContact O-N 3.15Å; T406-I430 HydrophobicContact CG2-CG2 4.42Å; T406-W435 HydrophobicContact CG2-CD2 3.82Å; T406-W435 HydrophobicContact CG2-CE3 4.36Å; T406-W435 HydrophobicContact CG2-CG 4.04Å; T406-W435 HydrophobicContact CG2-CZ2 4.18Å
407	L	96.2	Very high	94.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-117.7	6.2	-176.9	-58	-178.5	0	0	0	114	Y270 L402 K404 S405 D409 S410 G411 G412 F413 F416 L426 Y429 I430	Y270-L407 HydrophobicContact CE2-CB 4.2Å; L402-L407 HydrophobicContact CD1-CD1 3.53Å; L402-L407 HydrophobicContact CD1-CG 3.98Å; K404-L407 PolarHBondContact O-N 3.28Å; S405-L407 PolarHBondContact O-N 3.08Å; L407-D409 VanDerWaalsContact C-N 3.28Å; L407-D409 PolarHBondContact O-N 2.92Å; L407-S410 PolarHBondContact O-N 2.98Å; L407-S410 PolarHBondContact O-OG 3.38Å; L407-G411 PolarHBondContact O-N 2.76Å; L407-G412 PolarHBondContact O-N 3.15Å; L407-G412 VanDerWaalsContact O-N 3.15Å; L407-F413 HydrophobicContact CD1-CD1 3.9Å; L407-F413 HydrophobicContact CD1-CE1 3.37Å; L407-F413 HydrophobicContact CD1-CE2 4.24Å; L407-F413 HydrophobicContact CD1-CZ 3.57Å; L407-F416 HydrophobicContact CD2-CE2 4.28Å; L407-L426 HydrophobicContact CD1-CD1 4.17Å; L407-L426 HydrophobicContact CD2-CD1 3.54Å; L407-L426 HydrophobicContact CG-CD1 4.44Å; L407-Y429 HydrophobicContact CD2-CD1 4.26Å; L407-Y429 HydrophobicContact CD2-CE1 4.18Å; L407-I430 HydrophobicContact CD2-CG1 4.47Å
408	S	90.4	Very high	94.9	Very high	69 Å²	69	30.4 Å²	30.4	48%	0.483	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-56.7	-44.4	179.4	50.2	0	0	0	0	111.6	S405 S410 G411	S405-S408 PolarHBondContact O-OG 3.38Å; S405-S408 VanDerWaalsContact O-OG 3.1Å; S408-S410 VanDerWaalsContact C-N 3.27Å; S408-S410 PolarHBondContact O-N 3.24Å; S408-G411 PolarHBondContact O-N 3.2Å
409	D	91.3	Very high	95.1	Very high	114 Å²	114	31.7 Å²	31.7	61%	0.61	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-69.3	-24.6	-176.7	-51.6	-12	0	0	0	113.1	L407 R433	L407-D409 VanDerWaalsContact C-N 3.28Å; L407-D409 PolarHBondContact O-N 2.92Å; D409-R433 IonicContact OD2-CZ 3.76Å; D409-R433 IonicContact OD2-NE 3.82Å; D409-R433 PolarHBondContact OD2-NE 2.93Å; D409-R433 IonicContact OD2-NH2 3.8Å
410	S	91.1	Very high	95	Very high	22 Å²	22	31.9 Å²	31.9	15%	0.154	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-92.4	-2.9	179.7	54	0	0	0	0	113.5	L407 S408 G412 Y429	L407-S410 PolarHBondContact O-N 2.98Å; L407-S410 PolarHBondContact O-OG 3.38Å; S408-S410 VanDerWaalsContact C-N 3.27Å; S408-S410 PolarHBondContact O-N 3.24Å; S410-G412 PolarHBondContact O-N 3.21Å; S410-G412 PolarHBondContact OG-O 3.31Å; S410-Y429 VanDerWaalsContact CB-OH 3.32Å; S410-Y429 WeakPolarHBondContact CB-OH 3.43Å; S410-Y429 PolarHBondContact N-OH 3.09Å
411	G	93.1	Very high	94.8	Very high	39 Å²	39	32.3 Å²	32.3	40%	0.402	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	29.3	-171.5	0	0	0	0	0	113.1	Q267 L407 S408	Q267-G411 PolarHBondContact NE2-O 3.1Å; Q267-G411 VanDerWaalsContact NE2-O 3.16Å; L407-G411 PolarHBondContact O-N 2.76Å; S408-G411 PolarHBondContact O-N 3.2Å
412	G	95.3	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	96.4	-136	-176.9	0	0	0	0	0	113.7	L407 S410	L407-G412 PolarHBondContact O-N 3.15Å; L407-G412 VanDerWaalsContact O-N 3.15Å; S410-G412 PolarHBondContact O-N 3.21Å; S410-G412 PolarHBondContact OG-O 3.31Å
413	F	96.4	Very high	94.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	20%	0.197	C	C	.	.	S	Bend	trans	-95.8	-12	-171.5	-61.5	-72	0	0	0	115	L194 I263 L266 Y270 L278 I280 L402 L407 Q415 F416 L426	L194-F413 HydrophobicContact CD1-CE2 3.8Å; L194-F413 HydrophobicContact CD1-CZ 4.4Å; I263-F413 HydrophobicContact CD1-CB 4.3Å; I263-F413 HydrophobicContact CG2-CB 4.31Å; I263-F413 WeakPolarHBondContact CG2-O 3.21Å; L266-F413 HydrophobicContact CB-CB 4.47Å; L266-F413 HydrophobicContact CB-CD2 3.86Å; L266-F413 HydrophobicContact CB-CE2 4.28Å; L266-F413 HydrophobicContact CB-CG 4.15Å; L266-F413 WeakPolarHBondContact O-CD2 3.3Å; Y270-F413 HydrophobicContact CD2-CD2 4.3Å; Y270-F413 AromaticContact CD2-CE2 3.96Å; Y270-F413 HydrophobicContact CD2-CE2 3.96Å; Y270-F413 HydrophobicContact CG-CD2 4.28Å; Y270-F413 HydrophobicContact CG-CE2 4.28Å; L278-F413 HydrophobicContact CD1-CE2 4.43Å; L278-F413 HydrophobicContact CD1-CZ 4.4Å; I280-F413 HydrophobicContact CD1-CE1 3.63Å; I280-F413 HydrophobicContact CD1-CZ 3.64Å; I280-F413 HydrophobicContact CG1-CZ 4.21Å; L402-F413 HydrophobicContact CD1-CZ 4.47Å; L407-F413 HydrophobicContact CD1-CD1 3.9Å; L407-F413 HydrophobicContact CD1-CE1 3.37Å; L407-F413 HydrophobicContact CD1-CE2 4.24Å; L407-F413 HydrophobicContact CD1-CZ 3.57Å; F413-Q415 VanDerWaalsContact C-N 3.3Å; F413-Q415 PolarHBondContact O-N 2.91Å; F413-Q415 VanDerWaalsContact O-N 3.1Å; F413-F416 HydrophobicContact CD1-CD2 4.43Å; F413-F416 WeakPolarHBondContact O-CD2 3.34Å; F413-F416 PolarHBondContact O-N 3.42Å; F413-L426 HydrophobicContact CD1-CD1 4.33Å; F413-L426 HydrophobicContact CE1-CD1 4.12Å; F413-L426 HydrophobicContact CE1-CD2 4.03Å
414	K	94.8	Very high	94.3	Very high	78 Å²	78	35.7 Å²	35.7	34%	0.339	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-44.2	-48.5	-172.8	-56.6	-173.9	-175.7	-164.8	0	114.1	F257 Q267 E271 F416 G417	F257-K414 HydrophobicContact CD1-CB 3.86Å; F257-K414 HydrophobicContact CD1-CD 3.98Å; F257-K414 HydrophobicContact CD1-CG 3.8Å; F257-K414 HydrophobicContact CD2-CG 4.24Å; F257-K414 HydrophobicContact CE1-CB 4.3Å; F257-K414 HydrophobicContact CE1-CD 3.48Å; F257-K414 VanDerWaalsContact CE1-CD 3.48Å; F257-K414 HydrophobicContact CE1-CG 3.77Å; F257-K414 HydrophobicContact CE2-CD 4.45Å; F257-K414 HydrophobicContact CE2-CG 4.21Å; F257-K414 HydrophobicContact CG-CB 4.1Å; F257-K414 HydrophobicContact CG-CG 4.05Å; F257-K414 HydrophobicContact CZ-CD 3.74Å; F257-K414 HydrophobicContact CZ-CG 3.97Å; Q267-K414 HydrophobicContact CG-CD 4.29Å; Q267-K414 HydrophobicContact CG-CG 3.65Å; Q267-K414 VanDerWaalsContact OE1-N 3.14Å; E271-K414 WeakPolarHBondContact OE1-CE 3.25Å; E271-K414 IonicContact OE1-NZ 3.34Å; E271-K414 PolarHBondContact OE1-NZ 3.36Å; K414-F416 PolarHBondContact O-N 3.43Å; K414-G417 PolarHBondContact O-N 2.84Å
415	Q	94.7	Very high	94.1	Very high	87 Å²	87	34.4 Å²	34.4	41%	0.407	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-64.4	-21.9	-176.3	65.8	174.1	-4.1	0	0	114.3	F413 G417 Y429	F413-Q415 VanDerWaalsContact C-N 3.3Å; F413-Q415 PolarHBondContact O-N 2.91Å; F413-Q415 VanDerWaalsContact O-N 3.1Å; Q415-G417 VanDerWaalsContact C-N 3.27Å; Q415-G417 PolarHBondContact O-N 2.83Å; Q415-Y429 VanDerWaalsContact NE2-CD2 3.33Å
416	F	95.8	Very high	94.1	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.026	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-84.8	-3.1	-178.2	-52.5	-70.5	0	0	0	112.9	I263 L407 F413 K414 C418 Y419 E422 F425 L426 Y429	I263-F416 HydrophobicContact CD1-CB 3.97Å; L407-F416 HydrophobicContact CD2-CE2 4.28Å; F413-F416 HydrophobicContact CD1-CD2 4.43Å; F413-F416 WeakPolarHBondContact O-CD2 3.34Å; F413-F416 PolarHBondContact O-N 3.42Å; K414-F416 PolarHBondContact O-N 3.43Å; F416-C418 PolarHBondContact O-N 3.13Å; F416-C418 VanDerWaalsContact O-N 3.11Å; F416-Y419 HydrophobicContact CB-CD2 4.46Å; F416-Y419 HydrophobicContact CD1-CD2 4.5Å; F416-Y419 PolarHBondContact O-N 3.02Å; F416-E422 HydrophobicContact CB-CB 4.36Å; F416-F425 HydrophobicContact CD1-CB 4.1Å; F416-L426 HydrophobicContact CD2-CD1 4.3Å; F416-L426 HydrophobicContact CE2-CD1 3.68Å; F416-L426 HydrophobicContact CZ-CB 4.48Å; F416-L426 HydrophobicContact CZ-CD1 3.9Å; F416-Y429 HydrophobicContact CE1-CD2 4.46Å; F416-Y429 HydrophobicContact CE1-CG 4.16Å; F416-Y429 HydrophobicContact CZ-CD1 4.02Å; F416-Y429 HydrophobicContact CZ-CD2 4.24Å; F416-Y429 AromaticContact CZ-CG 3.79Å; F416-Y429 HydrophobicContact CZ-CG 3.79Å
417	G	94.3	Very high	94	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-57.4	-22.2	179.6	0	0	0	0	0	116.2	F257 I259 N260 K414 Q415 Y419	F257-G417 WeakPolarHBondContact O-CA 3.2Å; I259-G417 WeakPolarHBondContact CG1-O 3.42Å; I259-G417 PolarHBondContact N-O 3.18Å; N260-G417 PolarHBondContact N-O 3.01Å; N260-G417 VanDerWaalsContact N-O 3.1Å; K414-G417 PolarHBondContact O-N 2.84Å; Q415-G417 VanDerWaalsContact C-N 3.27Å; Q415-G417 PolarHBondContact O-N 2.83Å; G417-Y419 VanDerWaalsContact C-N 3.31Å
418	C	94.1	Very high	93.8	Very high	43 Å²	43	36.2 Å²	36.2	29%	0.291	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-81.5	-6.8	177	62.1	0	0	0	0	114	F416 S579	F416-C418 PolarHBondContact O-N 3.13Å; F416-C418 VanDerWaalsContact O-N 3.11Å; C418-S579 PolarHBondContact O-N 3.28Å
419	Y	94.8	Very high	94.1	Very high	48 Å²	48	34.3 Å²	34.3	19%	0.188	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-111.3	132.6	-177.9	-54.9	-67.9	0	0	0	111.2	N260 F416 G417 F425 G577 I578	N260-Y419 WeakPolarHBondContact CB-O 3.2Å; N260-Y419 PolarHBondContact ND2-O 2.99Å; F416-Y419 HydrophobicContact CB-CD2 4.46Å; F416-Y419 HydrophobicContact CD1-CD2 4.5Å; F416-Y419 PolarHBondContact O-N 3.02Å; G417-Y419 VanDerWaalsContact C-N 3.31Å; Y419-F425 HydrophobicContact CD1-CD1 4.22Å; Y419-F425 AromaticContact CD1-CD2 3.42Å; Y419-F425 HydrophobicContact CD1-CD2 3.42Å; Y419-F425 VanDerWaalsContact CD1-CD2 3.42Å; Y419-F425 HydrophobicContact CD1-CE1 4.16Å; Y419-F425 AromaticContact CD1-CE2 3.35Å; Y419-F425 HydrophobicContact CD1-CE2 3.35Å; Y419-F425 AromaticContact CD1-CG 3.88Å; Y419-F425 HydrophobicContact CD1-CG 3.88Å; Y419-F425 AromaticContact CD1-CZ 3.77Å; Y419-F425 HydrophobicContact CD1-CZ 3.77Å; Y419-F425 HydrophobicContact CD2-CB 3.8Å; Y419-F425 HydrophobicContact CD2-CD1 4.39Å; Y419-F425 AromaticContact CD2-CD2 3.8Å; Y419-F425 HydrophobicContact CD2-CD2 3.8Å; Y419-F425 AromaticContact CD2-CG 3.72Å; Y419-F425 HydrophobicContact CD2-CG 3.72Å; Y419-F425 AromaticContact CE1-CD1 3.96Å; Y419-F425 HydrophobicContact CE1-CD1 3.96Å; Y419-F425 HydrophobicContact CE1-CD2 4.02Å; Y419-F425 AromaticContact CE1-CE1 3.83Å; Y419-F425 HydrophobicContact CE1-CE1 3.83Å; Y419-F425 AromaticContact CE1-CE2 3.9Å; Y419-F425 HydrophobicContact CE1-CE2 3.9Å; Y419-F425 HydrophobicContact CE1-CG 4.07Å; Y419-F425 AromaticContact CE1-CZ 3.83Å; Y419-F425 HydrophobicContact CE1-CZ 3.83Å; Y419-F425 HydrophobicContact CE2-CB 4.08Å; Y419-F425 HydrophobicContact CE2-CD1 4.16Å; Y419-F425 HydrophobicContact CE2-CD2 4.37Å; Y419-F425 AromaticContact CE2-CG 3.93Å; Y419-F425 HydrophobicContact CE2-CG 3.93Å; Y419-F425 HydrophobicContact CG-CB 4.21Å; Y419-F425 HydrophobicContact CG-CD1 4.44Å; Y419-F425 AromaticContact CG-CD2 3.3Å; Y419-F425 HydrophobicContact CG-CD2 3.3Å; Y419-F425 AromaticContact CG-CE2 3.75Å; Y419-F425 HydrophobicContact CG-CE2 3.75Å; Y419-F425 AromaticContact CG-CG 3.72Å; Y419-F425 HydrophobicContact CG-CG 3.72Å; Y419-F425 HydrophobicContact CG-CZ 4.49Å; Y419-F425 AromaticContact CZ-CD1 3.95Å; Y419-G577 WeakPolarHBondContact CD1-O 3.18Å; Y419-I578 HydrophobicContact CE1-CB 4.5Å; Y419-I578 HydrophobicContact CE1-CG1 3.74Å
420	L	92.9	Very high	94.3	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.026	15%	0.148	C	C	.	.	S	Bend	trans	-76.8	-27.2	171.7	-67.7	173.9	0	0	0	113.4	I259 L466 W566 F571 S579	I259-L420 HydrophobicContact CD1-CD2 3.92Å; I259-L420 HydrophobicContact CD1-CG 4.1Å; L420-L466 HydrophobicContact CB-CD2 3.86Å; L420-L466 HydrophobicContact CD1-CD2 4.47Å; L420-W566 HydrophobicContact CB-CE3 4.27Å; L420-W566 HydrophobicContact CB-CZ3 3.91Å; L420-W566 HydrophobicContact CD1-CE3 4.44Å; L420-W566 HydrophobicContact CD2-CE3 3.67Å; L420-W566 HydrophobicContact CD2-CZ3 3.6Å; L420-W566 HydrophobicContact CG-CE3 4.32Å; L420-W566 HydrophobicContact CG-CZ3 4.26Å; L420-F571 HydrophobicContact CD1-CB 3.71Å; L420-F571 HydrophobicContact CD1-CD1 4.17Å; L420-F571 HydrophobicContact CD1-CD2 3.93Å; L420-F571 HydrophobicContact CD1-CG 3.68Å; L420-F571 HydrophobicContact CD2-CD1 4.24Å; L420-F571 HydrophobicContact CD2-CD2 4.42Å; L420-F571 HydrophobicContact CD2-CE1 4.13Å; L420-F571 HydrophobicContact CD2-CE2 4.31Å; L420-F571 HydrophobicContact CD2-CG 4.38Å; L420-F571 HydrophobicContact CD2-CZ 4.15Å; L420-S579 WeakPolarHBondContact CG-OG 3.46Å; L420-S579 PolarHBondContact N-OG 3.31Å
421	A	93.2	Very high	94.4	Very high	12 Å²	12	30.5 Å²	30.5	10%	0.099	16%	0.16	C	C	.	.			trans	-103.1	71.3	170.2	0	0	0	0	0	108.7	D423 Y424 F425 L466 M470	A421-D423 VanDerWaalsContact C-OD1 3.26Å; A421-D423 PolarHBondContact O-N 2.88Å; A421-Y424 PolarHBondContact O-N 3.16Å; A421-F425 WeakPolarHBondContact O-CD2 3.23Å; A421-L466 HydrophobicContact CB-CD1 4.49Å; A421-L466 HydrophobicContact CB-CD2 4.45Å; A421-M470 HydrophobicContact CB-CE 3.4Å; A421-M470 HydrophobicContact CB-SD 3.58Å; A421-M470 VanDerWaalsContact CB-SD 3.58Å
422	E	93.8	Very high	94.4	Very high	15 Å²	15	34.6 Å²	34.6	7%	0.07	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-32.5	-177.3	71.4	-71.3	167.5	0	0	112.5	N260 K262 I263 F416 Y424 F425 L426	N260-E422 PolarHBondContact ND2-OE2 2.95Å; K262-E422 WeakPolarHBondContact CD-OE1 3.47Å; K262-E422 VanDerWaalsContact CE-OE1 3.28Å; K262-E422 WeakPolarHBondContact CE-OE1 3.5Å; K262-E422 IonicContact NZ-OE1 2.76Å; K262-E422 PolarHBondContact NZ-OE1 3.11Å; I263-E422 HydrophobicContact CD1-CB 3.67Å; I263-E422 HydrophobicContact CD1-CG 3.85Å; I263-E422 HydrophobicContact CG1-CB 4.28Å; F416-E422 HydrophobicContact CB-CB 4.36Å; E422-Y424 PolarHBondContact O-N 3.03Å; E422-F425 PolarHBondContact O-N 3.21Å; E422-L426 WeakPolarHBondContact O-CB 3.34Å; E422-L426 PolarHBondContact O-N 3.45Å
423	D	93.7	Very high	94.4	Very high	35 Å²	35	39.9 Å²	39.9	19%	0.187	19%	0.193	C	C	.	.	H	α-helix	trans	-59.8	-44.9	-178.6	57.1	-13.7	0	0	0	112.8	G397 A421 T427	G397-D423 WeakPolarHBondContact CA-OD2 3.49Å; G397-D423 VanDerWaalsContact N-CB 3.34Å; G397-D423 PolarHBondContact N-OD2 3.06Å; A421-D423 VanDerWaalsContact C-OD1 3.26Å; A421-D423 PolarHBondContact O-N 2.88Å; D423-T427 WeakPolarHBondContact O-CB 3.39Å; D423-T427 PolarHBondContact O-N 2.9Å; D423-T427 PolarHBondContact O-OG1 3.01Å
424	Y	93.9	Very high	94.3	Very high	59 Å²	59	42.7 Å²	42.7	23%	0.231	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-48.3	176.6	175.8	-97.6	0	0	0	111.3	A421 E422 T427 K428 M470	A421-Y424 PolarHBondContact O-N 3.16Å; E422-Y424 PolarHBondContact O-N 3.03Å; Y424-T427 PolarHBondContact O-N 3.2Å; Y424-K428 HydrophobicContact CE1-CD 4.14Å; Y424-K428 WeakPolarHBondContact O-CB 3.3Å; Y424-K428 PolarHBondContact O-N 3.23Å; Y424-M470 HydrophobicContact CD1-CB 4.06Å; Y424-M470 HydrophobicContact CD1-CG 4.32Å; Y424-M470 HydrophobicContact CD1-SD 4.3Å; Y424-M470 HydrophobicContact CE1-CB 3.92Å; Y424-M470 HydrophobicContact CG-SD 4.48Å
425	F	94.7	Very high	94.3	Very high	18 Å²	18	42.2 Å²	42.2	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-73.6	-36.1	-177.5	-69.9	-76.3	0	0	0	113.1	F416 Y419 A421 E422 T427 K428 Y429 M470 G576	F416-F425 HydrophobicContact CD1-CB 4.1Å; Y419-F425 HydrophobicContact CD1-CD1 4.22Å; Y419-F425 AromaticContact CD1-CD2 3.42Å; Y419-F425 HydrophobicContact CD1-CD2 3.42Å; Y419-F425 VanDerWaalsContact CD1-CD2 3.42Å; Y419-F425 HydrophobicContact CD1-CE1 4.16Å; Y419-F425 AromaticContact CD1-CE2 3.35Å; Y419-F425 HydrophobicContact CD1-CE2 3.35Å; Y419-F425 AromaticContact CD1-CG 3.88Å; Y419-F425 HydrophobicContact CD1-CG 3.88Å; Y419-F425 AromaticContact CD1-CZ 3.77Å; Y419-F425 HydrophobicContact CD1-CZ 3.77Å; Y419-F425 HydrophobicContact CD2-CB 3.8Å; Y419-F425 HydrophobicContact CD2-CD1 4.39Å; Y419-F425 AromaticContact CD2-CD2 3.8Å; Y419-F425 HydrophobicContact CD2-CD2 3.8Å; Y419-F425 AromaticContact CD2-CG 3.72Å; Y419-F425 HydrophobicContact CD2-CG 3.72Å; Y419-F425 AromaticContact CE1-CD1 3.96Å; Y419-F425 HydrophobicContact CE1-CD1 3.96Å; Y419-F425 HydrophobicContact CE1-CD2 4.02Å; Y419-F425 AromaticContact CE1-CE1 3.83Å; Y419-F425 HydrophobicContact CE1-CE1 3.83Å; Y419-F425 AromaticContact CE1-CE2 3.9Å; Y419-F425 HydrophobicContact CE1-CE2 3.9Å; Y419-F425 HydrophobicContact CE1-CG 4.07Å; Y419-F425 AromaticContact CE1-CZ 3.83Å; Y419-F425 HydrophobicContact CE1-CZ 3.83Å; Y419-F425 HydrophobicContact CE2-CB 4.08Å; Y419-F425 HydrophobicContact CE2-CD1 4.16Å; Y419-F425 HydrophobicContact CE2-CD2 4.37Å; Y419-F425 AromaticContact CE2-CG 3.93Å; Y419-F425 HydrophobicContact CE2-CG 3.93Å; Y419-F425 HydrophobicContact CG-CB 4.21Å; Y419-F425 HydrophobicContact CG-CD1 4.44Å; Y419-F425 AromaticContact CG-CD2 3.3Å; Y419-F425 HydrophobicContact CG-CD2 3.3Å; Y419-F425 AromaticContact CG-CE2 3.75Å; Y419-F425 HydrophobicContact CG-CE2 3.75Å; Y419-F425 AromaticContact CG-CG 3.72Å; Y419-F425 HydrophobicContact CG-CG 3.72Å; Y419-F425 HydrophobicContact CG-CZ 4.49Å; Y419-F425 AromaticContact CZ-CD1 3.95Å; A421-F425 WeakPolarHBondContact O-CD2 3.23Å; E422-F425 PolarHBondContact O-N 3.21Å; F425-T427 VanDerWaalsContact C-N 3.32Å; F425-K428 PolarHBondContact O-N 3.23Å; F425-Y429 VanDerWaalsContact O-CB 3.24Å; F425-Y429 WeakPolarHBondContact O-CB 3.28Å; F425-Y429 PolarHBondContact O-N 2.88Å; F425-M470 HydrophobicContact CE2-CE 4.1Å; F425-M470 HydrophobicContact CE2-CG 3.86Å; F425-M470 HydrophobicContact CE2-SD 4.02Å; F425-M470 HydrophobicContact CZ-CB 4.45Å; F425-M470 HydrophobicContact CZ-CG 3.82Å; F425-G576 WeakPolarHBondContact CE1-O 3.18Å; F425-G576 WeakPolarHBondContact CZ-O 3.39Å
426	L	95.3	Very high	94.3	Very high	5 Å²	5	43 Å²	43	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-56.6	-49.1	170	175.5	63.7	0	0	0	110.3	I280 L407 F413 F416 E422 Y429 I430	I280-L426 HydrophobicContact CD1-CD2 4.01Å; L407-L426 HydrophobicContact CD1-CD1 4.17Å; L407-L426 HydrophobicContact CD2-CD1 3.54Å; L407-L426 HydrophobicContact CG-CD1 4.44Å; F413-L426 HydrophobicContact CD1-CD1 4.33Å; F413-L426 HydrophobicContact CE1-CD1 4.12Å; F413-L426 HydrophobicContact CE1-CD2 4.03Å; F416-L426 HydrophobicContact CD2-CD1 4.3Å; F416-L426 HydrophobicContact CE2-CD1 3.68Å; F416-L426 HydrophobicContact CZ-CB 4.48Å; F416-L426 HydrophobicContact CZ-CD1 3.9Å; E422-L426 WeakPolarHBondContact O-CB 3.34Å; E422-L426 PolarHBondContact O-N 3.45Å; L426-Y429 WeakPolarHBondContact O-CB 3.45Å; L426-Y429 PolarHBondContact O-N 2.65Å; L426-I430 HydrophobicContact CD1-CD1 4.01Å; L426-I430 HydrophobicContact CG-CD1 4.1Å; L426-I430 VanDerWaalsContact O-CG1 3.31Å; L426-I430 WeakPolarHBondContact O-CG1 3.2Å; L426-I430 PolarHBondContact O-N 3.36Å
427	T	94	Very high	94.2	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.049	22%	0.224	C	C	.	.	H	α-helix	trans	-66.6	-42.8	-179.1	-61.5	0	0	0	0	112	V395 D423 Y424 F425 Y429 I430 S431 I437	V395-T427 HydrophobicContact CB-CG2 3.95Å; V395-T427 WeakPolarHBondContact CB-OG1 3.43Å; V395-T427 HydrophobicContact CG2-CG2 3.4Å; V395-T427 VanDerWaalsContact CG2-OG1 3.25Å; V395-T427 WeakPolarHBondContact CG2-OG1 3.32Å; D423-T427 WeakPolarHBondContact O-CB 3.39Å; D423-T427 PolarHBondContact O-N 2.9Å; D423-T427 PolarHBondContact O-OG1 3.01Å; Y424-T427 PolarHBondContact O-N 3.2Å; F425-T427 VanDerWaalsContact C-N 3.32Å; T427-Y429 VanDerWaalsContact C-N 3.32Å; T427-Y429 PolarHBondContact O-N 3.01Å; T427-I430 PolarHBondContact O-N 3.44Å; T427-S431 VanDerWaalsContact O-CB 3.3Å; T427-S431 WeakPolarHBondContact O-CB 3.4Å; T427-S431 PolarHBondContact O-N 3.42Å; T427-I437 HydrophobicContact CG2-CD1 3.25Å; T427-I437 HydrophobicContact CG2-CG1 4.06Å
428	K	93.1	Very high	94.2	Very high	94 Å²	94	45.3 Å²	45.3	41%	0.409	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-42.7	174.2	-173.7	174.7	-178.2	176.3	0	111.3	Y424 F425 S431 N432	Y424-K428 HydrophobicContact CE1-CD 4.14Å; Y424-K428 WeakPolarHBondContact O-CB 3.3Å; Y424-K428 PolarHBondContact O-N 3.23Å; F425-K428 PolarHBondContact O-N 3.23Å; K428-S431 PolarHBondContact O-N 3.11Å; K428-N432 VanDerWaalsContact O-CB 3.31Å; K428-N432 WeakPolarHBondContact O-CB 3.47Å; K428-N432 PolarHBondContact O-N 3.31Å; K428-N432 PolarHBondContact O-ND2 3.28Å; K428-N432 PolarHBondContact O-OD1 2.84Å
429	Y	95.2	Very high	94.2	Very high	29 Å²	29	43.2 Å²	43.2	11%	0.114	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-46.1	176.6	175.4	-87.5	0	0	0	112.2	L407 S410 Q415 F416 F425 L426 T427 R433	L407-Y429 HydrophobicContact CD2-CD1 4.26Å; L407-Y429 HydrophobicContact CD2-CE1 4.18Å; S410-Y429 VanDerWaalsContact CB-OH 3.32Å; S410-Y429 WeakPolarHBondContact CB-OH 3.43Å; S410-Y429 PolarHBondContact N-OH 3.09Å; Q415-Y429 VanDerWaalsContact NE2-CD2 3.33Å; F416-Y429 HydrophobicContact CE1-CD2 4.46Å; F416-Y429 HydrophobicContact CE1-CG 4.16Å; F416-Y429 HydrophobicContact CZ-CD1 4.02Å; F416-Y429 HydrophobicContact CZ-CD2 4.24Å; F416-Y429 AromaticContact CZ-CG 3.79Å; F416-Y429 HydrophobicContact CZ-CG 3.79Å; F425-Y429 VanDerWaalsContact O-CB 3.24Å; F425-Y429 WeakPolarHBondContact O-CB 3.28Å; F425-Y429 PolarHBondContact O-N 2.88Å; L426-Y429 WeakPolarHBondContact O-CB 3.45Å; L426-Y429 PolarHBondContact O-N 2.65Å; T427-Y429 VanDerWaalsContact C-N 3.32Å; T427-Y429 PolarHBondContact O-N 3.01Å; Y429-R433 VanDerWaalsContact CE2-CZ 3.46Å; Y429-R433 PolarHBondContact O-N 2.84Å; Y429-R433 PolarHBondContact OH-NE 2.78Å; Y429-R433 PolarHBondContact OH-NH1 2.93Å; Y429-R433 PolarHBondContact OH-NH2 2.99Å
430	I	95.4	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-46.4	177.6	-69.4	171.7	0	0	0	110.5	L307 L402 T406 L407 L426 T427 N432 R433 W435	L307-I430 HydrophobicContact CD1-CD1 3.78Å; L402-I430 HydrophobicContact CD1-CD1 4.48Å; T406-I430 HydrophobicContact CG2-CG2 4.42Å; L407-I430 HydrophobicContact CD2-CG1 4.47Å; L426-I430 HydrophobicContact CD1-CD1 4.01Å; L426-I430 HydrophobicContact CG-CD1 4.1Å; L426-I430 VanDerWaalsContact O-CG1 3.31Å; L426-I430 WeakPolarHBondContact O-CG1 3.2Å; L426-I430 PolarHBondContact O-N 3.36Å; T427-I430 PolarHBondContact O-N 3.44Å; I430-N432 PolarHBondContact O-N 2.89Å; I430-R433 PolarHBondContact O-N 3.13Å; I430-W435 HydrophobicContact CG2-CB 3.49Å; I430-W435 VanDerWaalsContact CG2-CB 3.49Å; I430-W435 HydrophobicContact CG2-CG 4.01Å; I430-W435 WeakPolarHBondContact O-CB 3.49Å; I430-W435 PolarHBondContact O-N 3.33Å
431	S	93.3	Very high	94.1	Very high	57 Å²	57	42.2 Å²	42.2	40%	0.399	22%	0.218	S	C	.	.	H	α-helix	trans	-65.3	-39.3	-179.3	-169.8	0	0	0	0	112.9	T427 K428 R433 G434	T427-S431 VanDerWaalsContact O-CB 3.3Å; T427-S431 WeakPolarHBondContact O-CB 3.4Å; T427-S431 PolarHBondContact O-N 3.42Å; K428-S431 PolarHBondContact O-N 3.11Å; S431-R433 PolarHBondContact O-N 3.48Å; S431-G434 PolarHBondContact O-N 3.34Å
432	N	94.2	Very high	94	Very high	125 Å²	125	41.8 Å²	41.8	67%	0.668	21%	0.214	S	C	*	.	H	α-helix	trans	-62	-24.4	176.1	-75.3	-8.1	0	0	0	113	K428 I430 G434	K428-N432 VanDerWaalsContact O-CB 3.31Å; K428-N432 WeakPolarHBondContact O-CB 3.47Å; K428-N432 PolarHBondContact O-N 3.31Å; K428-N432 PolarHBondContact O-ND2 3.28Å; K428-N432 PolarHBondContact O-OD1 2.84Å; I430-N432 PolarHBondContact O-N 2.89Å; N432-G434 PolarHBondContact O-N 3.28Å
433	R	95	Very high	94	Very high	110 Å²	110	41.2 Å²	41.2	42%	0.415	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	8.1	173	-76.2	178	165.4	64.1	1	113.7	D409 Y429 I430 S431 W435	D409-R433 IonicContact OD2-CZ 3.76Å; D409-R433 IonicContact OD2-NE 3.82Å; D409-R433 PolarHBondContact OD2-NE 2.93Å; D409-R433 IonicContact OD2-NH2 3.8Å; Y429-R433 VanDerWaalsContact CE2-CZ 3.46Å; Y429-R433 PolarHBondContact O-N 2.84Å; Y429-R433 PolarHBondContact OH-NE 2.78Å; Y429-R433 PolarHBondContact OH-NH1 2.93Å; Y429-R433 PolarHBondContact OH-NH2 2.99Å; I430-R433 PolarHBondContact O-N 3.13Å; S431-R433 PolarHBondContact O-N 3.48Å; R433-W435 VanDerWaalsContact C-N 3.34Å
434	G	93.3	Very high	94	Very high	62 Å²	62	39.5 Å²	39.5	64%	0.639	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	3.9	175.4	0	0	0	0	0	114.9	S431 N432	S431-G434 PolarHBondContact O-N 3.34Å; N432-G434 PolarHBondContact O-N 3.28Å
435	W	95.3	Very high	94	Very high	68 Å²	68	37.5 Å²	37.5	26%	0.258	20%	0.195	S	C	.	.			trans	-70.9	142.8	171.7	-67	100.6	0	0	0	110.8	P303 G306 T406 I430 R433	P303-W435 VanDerWaalsContact O-CZ3 3.3Å; P303-W435 WeakPolarHBondContact O-CZ3 3.37Å; G306-W435 VanDerWaalsContact CA-CE3 3.43Å; T406-W435 HydrophobicContact CG2-CD2 3.82Å; T406-W435 HydrophobicContact CG2-CE3 4.36Å; T406-W435 HydrophobicContact CG2-CG 4.04Å; T406-W435 HydrophobicContact CG2-CZ2 4.18Å; I430-W435 HydrophobicContact CG2-CB 3.49Å; I430-W435 VanDerWaalsContact CG2-CB 3.49Å; I430-W435 HydrophobicContact CG2-CG 4.01Å; I430-W435 WeakPolarHBondContact O-CB 3.49Å; I430-W435 PolarHBondContact O-N 3.33Å; R433-W435 VanDerWaalsContact C-N 3.34Å
436	K	94.8	Very high	93.9	Very high	103 Å²	103	36.8 Å²	36.8	45%	0.448	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	151.7	171.5	-63.3	-177.7	-175.9	172.3	0	110.6	D302 K304 V305 G306	D302-K436 IonicContact OD2-NZ 2.76Å; D302-K436 PolarHBondContact OD2-NZ 3.43Å; K304-K436 HydrophobicContact CB-CD 4.15Å; K304-K436 HydrophobicContact CB-CG 4.25Å; K304-K436 WeakPolarHBondContact O-CB 3.35Å; K304-K436 PolarHBondContact O-N 2.79Å; V305-K436 WeakPolarHBondContact CA-O 3.39Å; V305-K436 HydrophobicContact CG2-CB 4.09Å; G306-K436 PolarHBondContact N-O 3.05Å
437	I	95.1	Very high	93.6	Very high	21 Å²	21	37.4 Å²	37.4	11%	0.108	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.5	174.2	-63.5	143.3	0	0	0	107.6	L307 N393 V395 T427	L307-I437 HydrophobicContact CD2-CG2 3.99Å; L307-I437 WeakPolarHBondContact O-CA 3.49Å; N393-I437 HydrophobicContact CB-CB 4.02Å; N393-I437 HydrophobicContact CB-CG2 3.56Å; N393-I437 PolarHBondContact ND2-O 3.44Å; V395-I437 HydrophobicContact CG2-CG2 3.53Å; T427-I437 HydrophobicContact CG2-CD1 3.25Å; T427-I437 HydrophobicContact CG2-CG1 4.06Å
438	S	93	Very high	92.9	Very high	34 Å²	34	39 Å²	39	24%	0.238	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157.3	178	-168	0	0	0	0	111.9	L307 I308 H309	L307-S438 PolarHBondContact O-N 2.78Å; I308-S438 VanDerWaalsContact CA-O 3.29Å; I308-S438 WeakPolarHBondContact CA-O 3.43Å; H309-S438 PolarHBondContact CD2-O 3.4Å; H309-S438 PolarHBondContact N-O 3.05Å; H309-S438 VanDerWaalsContact N-O 3.09Å
439	L	94	Very high	91.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.4	174.5	-169.1	71.9	0	0	0	110.5	Y66 H70 H309 V311 L385 S388	Y66-L439 HydrophobicContact CE1-CD2 4.37Å; H70-L439 PolarHBondContact NE2-O 2.91Å; H309-L439 WeakPolarHBondContact CE1-CD1 3.41Å; H309-L439 CarbonylContact O-C 3.51Å; H309-L439 WeakPolarHBondContact O-CA 3.24Å; V311-L439 HydrophobicContact CG2-CD1 3.52Å; V311-L439 HydrophobicContact CG2-CD2 3.62Å; V311-L439 HydrophobicContact CG2-CG 3.99Å; L385-L439 HydrophobicContact CD2-CD2 3.95Å; S388-L439 WeakPolarHBondContact OG-CB 3.23Å
440	S	93.6	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.			trans	-66.5	159.7	171.6	-146.1	0	0	0	0	111.4	H70 D294 M295 H309 Q442	H70-S440 PolarHBondContact CD2-O 3.21Å; H70-S440 PolarHBondContact NE2-O 2.84Å; D294-S440 PolarHBondContact OD2-OG 2.86Å; M295-S440 WeakPolarHBondContact CG-OG 3.32Å; H309-S440 PolarHBondContact O-N 3.47Å; S440-Q442 VanDerWaalsContact C-N 3.32Å
441	H	92.6	Very high	90.4	Very high	31 Å²	31	41.2 Å²	41.2	14%	0.144	23%	0.234	C	C	.	.	S	Bend	trans	-79.2	-21.4	172.9	-50.2	90.9	0	0	0	111.2	H70 L71 Y72 Q73 P75 D294 S298	H70-H441 AromaticContact CE1-CD2 3.43Å; H70-H441 PolarHBondContact CE1-CD2 3.33Å; H70-H441 VanDerWaalsContact CE1-CD2 3.43Å; H70-H441 AromaticContact CE1-NE2 3.45Å; H70-H441 PolarHBondContact CE1-NE2 3.18Å; H70-H441 AromaticContact ND1-CD2 3.75Å; H70-H441 AromaticContact ND1-NE2 3.92Å; H70-H441 AromaticContact NE2-CD2 3.69Å; H70-H441 WeakPolarHBondContact O-CB 3.4Å; H70-H441 PolarHBondContact O-CD2 2.81Å; H70-H441 VanDerWaalsContact O-CD2 3.23Å; L71-H441 CarbonylContact C-O 3.59Å; L71-H441 VanDerWaalsContact CA-O 3.26Å; L71-H441 WeakPolarHBondContact CA-O 3.36Å; L71-H441 WeakPolarHBondContact CD2-O 3.34Å; Y72-H441 PolarHBondContact N-O 3.47Å; Q73-H441 WeakPolarHBondContact O-CB 3.47Å; Q73-H441 PolarHBondContact O-CD2 3.48Å; Q73-H441 VanDerWaalsContact O-CD2 3.32Å; Q73-H441 VanDerWaalsContact O-CG 3.23Å; P75-H441 WeakPolarHBondContact CD-ND1 3.37Å; D294-H441 IonicContact OD1-CE1 3.35Å; D294-H441 IonicContact OD1-CG 3.07Å; D294-H441 IonicContact OD1-ND1 2.85Å; D294-H441 PolarHBondContact OD1-ND1 2.98Å; D294-H441 PolarHBondContact OD2-N 3Å; D294-H441 IonicContact OD2-ND1 3.87Å; S298-H441 PolarHBondContact OG-CE1 2.95Å; S298-H441 PolarHBondContact OG-ND1 3.43Å; S298-H441 VanDerWaalsContact OG-ND1 3.16Å
442	Q	91.4	Very high	90.4	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.014	23%	0.233	C	C	.	.	S	Bend	trans	-99.8	133.5	175.4	-62.4	-66.6	-15.1	0	0	111.9	Y72 A291 D294 Q310 S440	Y72-Q442 VanDerWaalsContact CD1-OE1 3.3Å; A291-Q442 HydrophobicContact CB-CB 4.49Å; D294-Q442 HydrophobicContact CB-CG 4.3Å; D294-Q442 PolarHBondContact OD2-N 3.45Å; Q310-Q442 WeakPolarHBondContact CB-O 3.5Å; Q310-Q442 WeakPolarHBondContact CG-O 3.45Å; Q310-Q442 PolarHBondContact NE2-O 3.21Å; S440-Q442 VanDerWaalsContact C-N 3.32Å
443	P	93.8	Very high	90.3	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.019	21%	0.212	C	C	.	.			trans	-71.8	162.9	172.2	26.8	-27.5	0	0	0	112.1	Y72 Q310 V311 Y313	Y72-P443 HydrophobicContact CE1-CG 4.13Å; Y72-P443 WeakPolarHBondContact OH-CG 3.41Å; Q310-P443 PolarHBondContact NE2-O 3.28Å; V311-P443 CarbonylContact O-C 3.44Å; V311-P443 WeakPolarHBondContact O-CA 3.39Å; V311-P443 WeakPolarHBondContact O-CB 3.35Å; Y313-P443 HydrophobicContact CG-CB 4.41Å
444	A	94.1	Very high	90.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	108.8	175.8	0	0	0	0	0	109.2	L285 Q310 V311 Y313 Q446	L285-A444 HydrophobicContact CD1-CB 3.43Å; L285-A444 VanDerWaalsContact CD1-CB 3.43Å; Q310-A444 HydrophobicContact CB-CB 3.52Å; Q310-A444 HydrophobicContact CG-CB 4.44Å; V311-A444 PolarHBondContact O-N 3.28Å; Y313-A444 PolarHBondContact N-O 2.92Å; A444-Q446 PolarHBondContact O-N 3Å
445	W	93	Very high	90.1	Very high	17 Å²	17	40.4 Å²	40.4	6%	0.064	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.5	-173.5	-65.7	27.4	0	0	0	110	L285 W286 R288 K315 P316 P528	L285-W445 WeakPolarHBondContact CA-O 3.44Å; L285-W445 WeakPolarHBondContact CD1-O 3.37Å; W286-W445 HydrophobicContact CE3-CB 4.23Å; W286-W445 HydrophobicContact CE3-CD2 4.09Å; W286-W445 AromaticContact CE3-CE3 3.53Å; W286-W445 HydrophobicContact CE3-CE3 3.53Å; W286-W445 HydrophobicContact CE3-CG 4.39Å; W286-W445 HydrophobicContact CE3-CZ3 4.26Å; W286-W445 HydrophobicContact CZ3-CD2 4.12Å; W286-W445 AromaticContact CZ3-CE3 3.47Å; W286-W445 HydrophobicContact CZ3-CE3 3.47Å; W286-W445 VanDerWaalsContact CZ3-CE3 3.47Å; W286-W445 AromaticContact CZ3-CZ3 3.79Å; W286-W445 HydrophobicContact CZ3-CZ3 3.79Å; W286-W445 PolarHBondContact N-O 3.41Å; W286-W445 WeakPolarHBondContact O-CB 3.32Å; R288-W445 HydrophobicContact CG-CD2 4.46Å; R288-W445 HydrophobicContact CG-CZ2 4.35Å; K315-W445 HydrophobicContact CB-CB 4.19Å; K315-W445 HydrophobicContact CB-CE3 4.43Å; K315-W445 HydrophobicContact CG-CE3 3.94Å; P316-W445 HydrophobicContact CG-CE3 4.29Å; P316-W445 HydrophobicContact CG-CH2 3.69Å; P316-W445 HydrophobicContact CG-CZ2 4.28Å; P316-W445 HydrophobicContact CG-CZ3 3.72Å; W445-P528 HydrophobicContact CH2-CB 4.17Å; W445-P528 HydrophobicContact CH2-CG 3.76Å; W445-P528 HydrophobicContact CZ2-CB 3.98Å; W445-P528 HydrophobicContact CZ2-CG 3.39Å
446	Q	92.2	Very high	90	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139.6	175.7	80.4	-162.9	-76.7	0	0	111.1	Y313 M314 K315 M398 A444	Y313-Q446 WeakPolarHBondContact O-CG 3.4Å; Y313-Q446 PolarHBondContact O-N 2.93Å; M314-Q446 HydrophobicContact SD-CG 3.97Å; K315-Q446 WeakPolarHBondContact CB-O 3.19Å; K315-Q446 PolarHBondContact N-O 3.21Å; M398-Q446 HydrophobicContact CE-CB 3.2Å; M398-Q446 HydrophobicContact CE-CG 4.36Å; M398-Q446 HydrophobicContact SD-CB 3.83Å; A444-Q446 PolarHBondContact O-N 3Å
447	N	88.7	Confident	89.9	Confident	18 Å²	18	35.9 Å²	35.9	10%	0.096	19%	0.19	C	C	.	.			trans	-68.3	165.4	166.5	-51.4	-69.7	0	0	0	109.9	N203 N207 G284 K315 P449	N203-N447 HydrophobicContact CB-CB 4.16Å; N203-N447 WeakPolarHBondContact CB-ND2 2.93Å; N207-N447 PolarHBondContact ND2-ND2 3.34Å; N207-N447 PolarHBondContact OD1-ND2 3.05Å; G284-N447 PolarHBondContact O-N 3.18Å; G284-N447 PolarHBondContact O-ND2 3.47Å; K315-N447 VanDerWaalsContact CD-OD1 3.29Å; K315-N447 WeakPolarHBondContact CD-OD1 3.48Å; N447-P449 WeakPolarHBondContact O-CD 3.4Å
448	S	79.7	Confident	89.8	Confident	41 Å²	41	37.6 Å²	37.6	29%	0.287	20%	0.199	S	C	.	.			trans	-54.7	104.1	173.5	-169.2	0	0	0	0	110.3	Q372 S450	Q372-S448 PolarHBondContact NE2-OG 3.18Å; S448-S450 VanDerWaalsContact C-N 3.26Å; S448-S450 PolarHBondContact O-N 2.81Å; S448-S450 PolarHBondContact OG-O 3Å
449	P	68.2	Low	89.8	Confident	56 Å²	56	38 Å²	38	36%	0.364	20%	0.195	S	C	.	.			trans	-78.8	-17.9	-176.7	34	-36.1	0	0	0	112	N447	N447-P449 WeakPolarHBondContact O-CD 3.4Å
450	S	80.7	Confident	89.7	Confident	5 Å²	5	38.4 Å²	38.4	4%	0.035	20%	0.198	C	C	.	.			trans	-114.9	120.5	-177	-48.9	0	0	0	0	108.7	Q372 S448 C452 F456	Q372-S450 PolarHBondContact OE1-OG 3.08Å; S448-S450 VanDerWaalsContact C-N 3.26Å; S448-S450 PolarHBondContact O-N 2.81Å; S448-S450 PolarHBondContact OG-O 3Å; S450-C452 VanDerWaalsContact C-N 3.28Å; S450-C452 PolarHBondContact O-N 2.83Å; S450-F456 WeakPolarHBondContact OG-CA 3.28Å
451	P	83.1	Confident	89.7	Confident	109 Å²	109	39.3 Å²	39.3	71%	0.708	20%	0.203	S	C	*	.	S	Bend	trans	-71.3	-26.3	179.9	27.7	-34.1	0	0	0	112.2	Q455	P451-Q455 HydrophobicContact CG-CG 4.36Å
452	C	91.4	Very high	89.7	Confident	54 Å²	54	40.2 Å²	40.2	37%	0.365	21%	0.205	S	C	.	.	S	Bend	trans	-138.6	163.2	178.8	69.2	0	0	0	0	111.9	T368 S450 Y454 Q455 F456	T368-C452 VanDerWaalsContact CG2-C 3.43Å; S450-C452 VanDerWaalsContact C-N 3.28Å; S450-C452 PolarHBondContact O-N 2.83Å; C452-Y454 PolarHBondContact O-N 3.42Å; C452-Q455 PolarHBondContact O-N 3.17Å; C452-F456 PolarHBondContact O-N 3.16Å; C452-F456 VanDerWaalsContact O-N 3.14Å
453	L	92.6	Very high	89.8	Confident	46 Å²	46	42.8 Å²	42.8	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-33.2	-179.5	-68.1	175	0	0	0	113.2	F367 T368 V371 F456 Y457 F546	F367-L453 HydrophobicContact CD1-CD1 4.07Å; F367-L453 HydrophobicContact CE1-CD1 4.09Å; T368-L453 HydrophobicContact CG2-CD2 4.19Å; T368-L453 HydrophobicContact CG2-CG 4.5Å; V371-L453 HydrophobicContact CB-CD2 3.85Å; V371-L453 HydrophobicContact CG1-CD2 4Å; V371-L453 HydrophobicContact CG2-CD2 3.82Å; L453-F456 WeakPolarHBondContact O-CB 3.31Å; L453-F456 PolarHBondContact O-N 3.47Å; L453-Y457 WeakPolarHBondContact O-CB 3.34Å; L453-Y457 PolarHBondContact O-N 2.85Å; L453-F546 HydrophobicContact CB-CZ 4.3Å; L453-F546 HydrophobicContact CD1-CE2 4.12Å; L453-F546 HydrophobicContact CD1-CZ 3.91Å; L453-F546 HydrophobicContact CD2-CE1 4.06Å; L453-F546 HydrophobicContact CD2-CZ 4.11Å; L453-F546 HydrophobicContact CG-CZ 4.35Å
454	Y	93	Very high	89.8	Confident	145 Å²	145	42.7 Å²	42.7	57%	0.569	21%	0.214	S	C	*	.	H	α-helix	trans	-65.3	-43.6	177.9	178.3	-110.4	0	0	0	112.1	C452 F456 Y457 L458	C452-Y454 PolarHBondContact O-N 3.42Å; Y454-F456 VanDerWaalsContact C-N 3.29Å; Y454-F456 PolarHBondContact O-N 3.31Å; Y454-Y457 WeakPolarHBondContact O-CB 3.46Å; Y454-Y457 PolarHBondContact O-N 3.13Å; Y454-L458 HydrophobicContact CD1-CD1 4.06Å; Y454-L458 HydrophobicContact CE1-CD1 3.49Å; Y454-L458 VanDerWaalsContact CE1-CD1 3.49Å; Y454-L458 HydrophobicContact CE1-CG 4.19Å; Y454-L458 HydrophobicContact CE2-CD1 4.43Å; Y454-L458 HydrophobicContact CE2-CD2 4.41Å; Y454-L458 HydrophobicContact CE2-CG 4.29Å; Y454-L458 WeakPolarHBondContact O-CG 3.47Å; Y454-L458 PolarHBondContact O-N 3.44Å
455	Q	92	Very high	89.7	Confident	92 Å²	92	43.2 Å²	43.2	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-64.8	-36.8	174.7	-71	-67.5	-10.8	0	0	111.6	P451 C452 L458 R459	P451-Q455 HydrophobicContact CG-CG 4.36Å; C452-Q455 PolarHBondContact O-N 3.17Å; Q455-L458 PolarHBondContact O-N 2.99Å; Q455-R459 WeakPolarHBondContact O-CB 3.12Å; Q455-R459 PolarHBondContact O-N 3.13Å
456	F	93.1	Very high	89.7	Confident	11 Å²	11	43.1 Å²	43.1	5%	0.048	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-45.8	173.7	-179.5	-121.8	0	0	0	111.7	V371 Q372 F375 F376 S450 C452 L453 Y454 L458 R459 I460	V371-F456 HydrophobicContact CG1-CD1 4.11Å; V371-F456 HydrophobicContact CG1-CE1 3.9Å; Q372-F456 HydrophobicContact CG-CB 4.49Å; Q372-F456 HydrophobicContact CG-CD1 4.03Å; Q372-F456 HydrophobicContact CG-CD2 3.5Å; Q372-F456 VanDerWaalsContact CG-CD2 3.5Å; Q372-F456 HydrophobicContact CG-CE1 4.09Å; Q372-F456 HydrophobicContact CG-CE2 3.59Å; Q372-F456 HydrophobicContact CG-CG 3.73Å; Q372-F456 HydrophobicContact CG-CZ 3.88Å; F375-F456 HydrophobicContact CB-CE1 4.34Å; F375-F456 HydrophobicContact CB-CZ 3.86Å; F375-F456 HydrophobicContact CD1-CE2 4.38Å; F375-F456 AromaticContact CD1-CZ 3.79Å; F375-F456 HydrophobicContact CD1-CZ 3.79Å; F375-F456 HydrophobicContact CD2-CZ 4.19Å; F375-F456 HydrophobicContact CE1-CZ 4.38Å; F375-F456 HydrophobicContact CG-CE1 4.41Å; F375-F456 AromaticContact CG-CZ 3.68Å; F375-F456 HydrophobicContact CG-CZ 3.68Å; F376-F456 HydrophobicContact CE2-CE2 4.45Å; S450-F456 WeakPolarHBondContact OG-CA 3.28Å; C452-F456 PolarHBondContact O-N 3.16Å; C452-F456 VanDerWaalsContact O-N 3.14Å; L453-F456 WeakPolarHBondContact O-CB 3.31Å; L453-F456 PolarHBondContact O-N 3.47Å; Y454-F456 VanDerWaalsContact C-N 3.29Å; Y454-F456 PolarHBondContact O-N 3.31Å; F456-L458 PolarHBondContact O-N 3.41Å; F456-R459 WeakPolarHBondContact O-CB 3.41Å; F456-R459 PolarHBondContact O-N 3.04Å; F456-R459 VanDerWaalsContact O-N 3.13Å; F456-I460 HydrophobicContact CD2-CD1 4.39Å; F456-I460 HydrophobicContact CD2-CG1 4.19Å; F456-I460 HydrophobicContact CE1-CG1 4.19Å; F456-I460 HydrophobicContact CE2-CD1 3.62Å; F456-I460 HydrophobicContact CE2-CG1 3.69Å; F456-I460 HydrophobicContact CZ-CD1 3.89Å; F456-I460 HydrophobicContact CZ-CG1 3.69Å; F456-I460 WeakPolarHBondContact O-CG1 3.41Å; F456-I460 PolarHBondContact O-N 2.92Å
457	Y	93	Very high	89.7	Confident	64 Å²	64	46.1 Å²	46.1	25%	0.251	23%	0.228	S	C	.	.	H	α-helix	trans	-55.3	-49.8	174.1	169.8	-91.6	0	0	0	111.5	L453 Y454 R459 I460 L461 L554	L453-Y457 WeakPolarHBondContact O-CB 3.34Å; L453-Y457 PolarHBondContact O-N 2.85Å; Y454-Y457 WeakPolarHBondContact O-CB 3.46Å; Y454-Y457 PolarHBondContact O-N 3.13Å; Y457-R459 VanDerWaalsContact C-N 3.26Å; Y457-R459 PolarHBondContact O-N 3.26Å; Y457-I460 PolarHBondContact O-N 3.36Å; Y457-L461 HydrophobicContact CE1-CD2 4.04Å; Y457-L461 WeakPolarHBondContact O-CB 3.47Å; Y457-L461 PolarHBondContact O-N 2.9Å; Y457-L554 HydrophobicContact CD2-CD1 3.83Å; Y457-L554 HydrophobicContact CE2-CB 4.21Å; Y457-L554 HydrophobicContact CE2-CD1 3.88Å; Y457-L554 HydrophobicContact CE2-CG 4.14Å
458	L	92.3	Very high	89.9	Confident	57 Å²	57	46.1 Å²	46.1	30%	0.298	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-35.4	177.5	-71	179.2	0	0	0	112.6	Y454 Q455 F456 L461 R462	Y454-L458 HydrophobicContact CD1-CD1 4.06Å; Y454-L458 HydrophobicContact CE1-CD1 3.49Å; Y454-L458 VanDerWaalsContact CE1-CD1 3.49Å; Y454-L458 HydrophobicContact CE1-CG 4.19Å; Y454-L458 HydrophobicContact CE2-CD1 4.43Å; Y454-L458 HydrophobicContact CE2-CD2 4.41Å; Y454-L458 HydrophobicContact CE2-CG 4.29Å; Y454-L458 WeakPolarHBondContact O-CG 3.47Å; Y454-L458 PolarHBondContact O-N 3.44Å; Q455-L458 PolarHBondContact O-N 2.99Å; F456-L458 PolarHBondContact O-N 3.41Å; L458-L461 HydrophobicContact CD2-CD2 4.48Å; L458-R462 WeakPolarHBondContact O-CB 3.29Å; L458-R462 PolarHBondContact O-N 3.44Å
459	R	92.1	Very high	90.3	Very high	42 Å²	42	44.4 Å²	44.4	16%	0.158	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-48.6	174.4	175.6	177.1	171.1	155.5	-11.8	111.7	Q455 F456 Y457 R462 W463	Q455-R459 WeakPolarHBondContact O-CB 3.12Å; Q455-R459 PolarHBondContact O-N 3.13Å; F456-R459 WeakPolarHBondContact O-CB 3.41Å; F456-R459 PolarHBondContact O-N 3.04Å; F456-R459 VanDerWaalsContact O-N 3.13Å; Y457-R459 VanDerWaalsContact C-N 3.26Å; Y457-R459 PolarHBondContact O-N 3.26Å; R459-R462 PolarHBondContact O-N 3.08Å; R459-W463 HydrophobicContact CG-CD2 4.38Å; R459-W463 HydrophobicContact CG-CZ2 4.1Å; R459-W463 VanDerWaalsContact CZ-CZ2 3.47Å; R459-W463 VanDerWaalsContact NE-CH2 3.35Å; R459-W463 VanDerWaalsContact NH2-CH2 3.29Å; R459-W463 PolarHBondContact O-N 3.15Å; R459-W463 VanDerWaalsContact O-N 3.12Å
460	I	92.9	Very high	91.4	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.046	20%	0.204	C	C	.	.	H	α-helix	trans	-69.5	-36.1	-179.9	-57.2	-49.1	0	0	0	111.5	F375 F456 Y457 W463 S464 L554	F375-I460 HydrophobicContact CD1-CD1 4.37Å; F375-I460 HydrophobicContact CE1-CD1 3.6Å; F375-I460 HydrophobicContact CE2-CD1 4.14Å; F375-I460 HydrophobicContact CE2-CG1 4.28Å; F375-I460 HydrophobicContact CE2-CG2 4.17Å; F375-I460 HydrophobicContact CZ-CD1 3.45Å; F375-I460 VanDerWaalsContact CZ-CD1 3.45Å; F375-I460 HydrophobicContact CZ-CG1 4.09Å; F375-I460 HydrophobicContact CZ-CG2 4.21Å; F456-I460 HydrophobicContact CD2-CD1 4.39Å; F456-I460 HydrophobicContact CD2-CG1 4.19Å; F456-I460 HydrophobicContact CE1-CG1 4.19Å; F456-I460 HydrophobicContact CE2-CD1 3.62Å; F456-I460 HydrophobicContact CE2-CG1 3.69Å; F456-I460 HydrophobicContact CZ-CD1 3.89Å; F456-I460 HydrophobicContact CZ-CG1 3.69Å; F456-I460 WeakPolarHBondContact O-CG1 3.41Å; F456-I460 PolarHBondContact O-N 2.92Å; Y457-I460 PolarHBondContact O-N 3.36Å; I460-W463 HydrophobicContact CD1-CD2 4.31Å; I460-W463 HydrophobicContact CD1-CE3 3.49Å; I460-W463 VanDerWaalsContact CD1-CE3 3.49Å; I460-W463 HydrophobicContact CD1-CZ3 3.64Å; I460-W463 PolarHBondContact O-N 3.17Å; I460-S464 WeakPolarHBondContact O-CB 3.46Å; I460-S464 PolarHBondContact O-N 3.38Å; I460-S464 PolarHBondContact O-OG 3.01Å; I460-L554 HydrophobicContact CB-CD1 3.77Å; I460-L554 HydrophobicContact CG2-CD1 3.61Å; I460-L554 HydrophobicContact CG2-CD2 3.9Å; I460-L554 HydrophobicContact CG2-CG 4.45Å
461	L	93.9	Very high	91.8	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.105	21%	0.212	C	C	.	.	H	α-helix	trans	-58.1	-50.9	173.6	179.3	63.5	0	0	0	110.6	Y457 L458 W463 S464 Q465 L554 T557 A558	Y457-L461 HydrophobicContact CE1-CD2 4.04Å; Y457-L461 WeakPolarHBondContact O-CB 3.47Å; Y457-L461 PolarHBondContact O-N 2.9Å; L458-L461 HydrophobicContact CD2-CD2 4.48Å; L461-W463 VanDerWaalsContact C-N 3.34Å; L461-W463 PolarHBondContact O-N 3.47Å; L461-S464 WeakPolarHBondContact O-CA 3.46Å; L461-S464 WeakPolarHBondContact O-CB 3.43Å; L461-S464 PolarHBondContact O-N 3.24Å; L461-Q465 HydrophobicContact CD1-CG 4.45Å; L461-Q465 WeakPolarHBondContact O-CG 3.2Å; L461-Q465 PolarHBondContact O-N 2.8Å; L461-L554 HydrophobicContact CB-CG 4.47Å; L461-L554 HydrophobicContact CD1-CG 4.45Å; L461-T557 HydrophobicContact CD1-CG2 3.87Å; L461-T557 HydrophobicContact CD2-CG2 4.38Å; L461-A558 HydrophobicContact CD1-CB 3.93Å
462	R	92.9	Very high	92.1	Very high	49 Å²	49	41.1 Å²	41.1	19%	0.185	19%	0.194	C	C	.	.	H	α-helix	trans	-56.1	-45.9	176	166.3	169.4	47.3	124.4	1.1	112.5	L458 R459 S464 Q465 L466 V564 W566	L458-R462 WeakPolarHBondContact O-CB 3.29Å; L458-R462 PolarHBondContact O-N 3.44Å; R459-R462 PolarHBondContact O-N 3.08Å; R462-S464 VanDerWaalsContact C-N 3.27Å; R462-S464 PolarHBondContact O-N 3.18Å; R462-Q465 PolarHBondContact O-N 2.87Å; R462-L466 HydrophobicContact CG-CD1 4.01Å; R462-L466 VanDerWaalsContact O-CG 3.29Å; R462-L466 WeakPolarHBondContact O-CG 3.33Å; R462-L466 PolarHBondContact O-N 2.89Å; R462-V564 HydrophobicContact CB-CG1 4.31Å; R462-V564 HydrophobicContact CG-CG1 3.61Å; R462-W566 VanDerWaalsContact NH1-CD1 3.25Å; R462-W566 VanDerWaalsContact NH1-NE1 3.14Å
463	W	92.9	Very high	92	Very high	58 Å²	58	44.7 Å²	44.7	22%	0.22	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-39	176.3	-66.6	-8.1	0	0	0	112.3	F375 F376 R459 I460 L461 L466 R467	F375-W463 HydrophobicContact CE1-CZ3 4.26Å; F376-W463 AromaticContact CE1-CH2 3.94Å; F376-W463 HydrophobicContact CE1-CH2 3.94Å; F376-W463 HydrophobicContact CE1-CZ3 4.02Å; F376-W463 AromaticContact CZ-CH2 3.86Å; F376-W463 HydrophobicContact CZ-CH2 3.86Å; F376-W463 HydrophobicContact CZ-CZ3 4.13Å; R459-W463 HydrophobicContact CG-CD2 4.38Å; R459-W463 HydrophobicContact CG-CZ2 4.1Å; R459-W463 VanDerWaalsContact CZ-CZ2 3.47Å; R459-W463 VanDerWaalsContact NE-CH2 3.35Å; R459-W463 VanDerWaalsContact NH2-CH2 3.29Å; R459-W463 PolarHBondContact O-N 3.15Å; R459-W463 VanDerWaalsContact O-N 3.12Å; I460-W463 HydrophobicContact CD1-CD2 4.31Å; I460-W463 HydrophobicContact CD1-CE3 3.49Å; I460-W463 VanDerWaalsContact CD1-CE3 3.49Å; I460-W463 HydrophobicContact CD1-CZ3 3.64Å; I460-W463 PolarHBondContact O-N 3.17Å; L461-W463 VanDerWaalsContact C-N 3.34Å; L461-W463 PolarHBondContact O-N 3.47Å; W463-L466 PolarHBondContact O-N 3.27Å; W463-R467 WeakPolarHBondContact O-CG 3.3Å; W463-R467 PolarHBondContact O-N 3.45Å
464	S	93.2	Very high	91.8	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	23%	0.226	C	C	.	.	H	α-helix	trans	-68.5	-41.8	178.7	-55.9	0	0	0	0	111.7	I460 L461 R462 L466 R467 L468 F475 L554	I460-S464 WeakPolarHBondContact O-CB 3.46Å; I460-S464 PolarHBondContact O-N 3.38Å; I460-S464 PolarHBondContact O-OG 3.01Å; L461-S464 WeakPolarHBondContact O-CA 3.46Å; L461-S464 WeakPolarHBondContact O-CB 3.43Å; L461-S464 PolarHBondContact O-N 3.24Å; R462-S464 VanDerWaalsContact C-N 3.27Å; R462-S464 PolarHBondContact O-N 3.18Å; S464-L466 PolarHBondContact O-N 3.41Å; S464-R467 PolarHBondContact O-N 2.71Å; S464-R467 PolarHBondContact OG-NH2 3.44Å; S464-L468 PolarHBondContact O-N 2.95Å; S464-F475 VanDerWaalsContact O-CE2 3.26Å; S464-F475 WeakPolarHBondContact O-CE2 3.33Å; S464-L554 WeakPolarHBondContact OG-CD2 3.38Å
465	Q	93.4	Very high	91.7	Very high	11 Å²	11	40.1 Å²	40.1	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-39.8	175	-67.9	171.2	-53.7	0	0	112.4	L461 R462 S469 A558 F561 E563 V564	L461-Q465 HydrophobicContact CD1-CG 4.45Å; L461-Q465 WeakPolarHBondContact O-CG 3.2Å; L461-Q465 PolarHBondContact O-N 2.8Å; R462-Q465 PolarHBondContact O-N 2.87Å; Q465-S469 PolarHBondContact O-N 3.27Å; Q465-S469 PolarHBondContact O-OG 3.29Å; Q465-A558 HydrophobicContact CG-CB 3.94Å; Q465-F561 PolarHBondContact NE2-O 2.81Å; Q465-E563 PolarHBondContact NE2-O 3.16Å; Q465-V564 HydrophobicContact CB-CG2 3.76Å
466	L	92.9	Very high	91.6	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.079	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-51.6	172.9	-71.1	163.5	0	0	0	110.4	L420 A421 R462 W463 S464 L468 S469 M470 I573	L420-L466 HydrophobicContact CB-CD2 3.86Å; L420-L466 HydrophobicContact CD1-CD2 4.47Å; A421-L466 HydrophobicContact CB-CD1 4.49Å; A421-L466 HydrophobicContact CB-CD2 4.45Å; R462-L466 HydrophobicContact CG-CD1 4.01Å; R462-L466 VanDerWaalsContact O-CG 3.29Å; R462-L466 WeakPolarHBondContact O-CG 3.33Å; R462-L466 PolarHBondContact O-N 2.89Å; W463-L466 PolarHBondContact O-N 3.27Å; S464-L466 PolarHBondContact O-N 3.41Å; L466-L468 VanDerWaalsContact C-N 3.34Å; L466-L468 PolarHBondContact O-N 2.99Å; L466-S469 PolarHBondContact O-N 2.82Å; L466-S469 VanDerWaalsContact O-N 3.08Å; L466-M470 HydrophobicContact CB-CE 3.62Å; L466-M470 HydrophobicContact CB-SD 4.13Å; L466-M470 HydrophobicContact CD2-CE 3.41Å; L466-M470 VanDerWaalsContact CD2-CE 3.41Å; L466-M470 HydrophobicContact CG-CE 4.08Å; L466-M470 WeakPolarHBondContact O-CG 3.45Å; L466-M470 PolarHBondContact O-N 3.14Å; L466-M470 VanDerWaalsContact O-SD 3.41Å; L466-I573 HydrophobicContact CD2-CD1 3.43Å; L466-I573 VanDerWaalsContact CD2-CD1 3.43Å; L466-I573 HydrophobicContact CD2-CG1 4.44Å; L466-I573 HydrophobicContact CG-CD1 4.04Å
467	R	92.4	Very high	91.5	Very high	65 Å²	65	45.6 Å²	45.6	25%	0.245	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-42.1	179.3	-75.1	-162.2	-61.1	-97.8	2.1	112.9	W463 S464 S469 M470 A471 F475 E478	W463-R467 WeakPolarHBondContact O-CG 3.3Å; W463-R467 PolarHBondContact O-N 3.45Å; S464-R467 PolarHBondContact O-N 2.71Å; S464-R467 PolarHBondContact OG-NH2 3.44Å; R467-S469 PolarHBondContact O-N 3.44Å; R467-M470 PolarHBondContact O-N 3.23Å; R467-M470 VanDerWaalsContact O-N 3.16Å; R467-A471 CarbonylContact O-C 3.56Å; R467-A471 PolarHBondContact O-N 3.15Å; R467-F475 HydrophobicContact CB-CD2 4.23Å; R467-E478 IonicContact CZ-OE1 3.74Å; R467-E478 IonicContact CZ-OE2 2.85Å; R467-E478 IonicContact NE-OE2 2.99Å; R467-E478 PolarHBondContact NE-OE2 2.92Å; R467-E478 IonicContact NH2-OE1 3.77Å; R467-E478 PolarHBondContact NH2-OE1 3.44Å; R467-E478 IonicContact NH2-OE2 3.13Å; R467-E478 PolarHBondContact NH2-OE2 3.4Å
468	L	92.1	Very high	91.4	Very high	18 Å²	18	43.6 Å²	43.6	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-53.7	-41.7	176.2	172	61.6	0	0	0	111.7	S464 L466 V472 F475 A558	S464-L468 PolarHBondContact O-N 2.95Å; L466-L468 VanDerWaalsContact C-N 3.34Å; L466-L468 PolarHBondContact O-N 2.99Å; L468-V472 WeakPolarHBondContact O-CG2 3.04Å; L468-F475 HydrophobicContact CB-CD1 4.12Å; L468-F475 HydrophobicContact CB-CD2 3.86Å; L468-F475 HydrophobicContact CB-CE1 4.14Å; L468-F475 HydrophobicContact CB-CE2 3.89Å; L468-F475 HydrophobicContact CB-CG 3.97Å; L468-F475 HydrophobicContact CB-CZ 4.03Å; L468-F475 HydrophobicContact CD1-CD1 3.47Å; L468-F475 VanDerWaalsContact CD1-CD1 3.47Å; L468-F475 HydrophobicContact CD1-CE1 3.69Å; L468-F475 HydrophobicContact CD1-CG 4.03Å; L468-F475 HydrophobicContact CD1-CZ 4.41Å; L468-F475 HydrophobicContact CD2-CE1 4.42Å; L468-F475 HydrophobicContact CG-CD1 4.32Å; L468-F475 HydrophobicContact CG-CE1 4.29Å; L468-A558 WeakPolarHBondContact CD2-O 3.33Å
469	S	88.8	Confident	91.3	Very high	5 Å²	5	41.4 Å²	41.4	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-82.5	-18.7	-176.2	-55.1	0	0	0	0	113.7	Q465 L466 R467 I573 G576	Q465-S469 PolarHBondContact O-N 3.27Å; Q465-S469 PolarHBondContact O-OG 3.29Å; L466-S469 PolarHBondContact O-N 2.82Å; L466-S469 VanDerWaalsContact O-N 3.08Å; R467-S469 PolarHBondContact O-N 3.44Å; S469-I573 VanDerWaalsContact CB-CG2 3.42Å; S469-G576 PolarHBondContact O-N 2.97Å
470	M	90.1	Very high	91.2	Very high	23 Å²	23	43.3 Å²	43.3	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-101.6	-39.1	-173.6	-64.5	166.8	-165.1	0	0	113.2	A421 Y424 F425 L466 R467	A421-M470 HydrophobicContact CB-CE 3.4Å; A421-M470 HydrophobicContact CB-SD 3.58Å; A421-M470 VanDerWaalsContact CB-SD 3.58Å; Y424-M470 HydrophobicContact CD1-CB 4.06Å; Y424-M470 HydrophobicContact CD1-CG 4.32Å; Y424-M470 HydrophobicContact CD1-SD 4.3Å; Y424-M470 HydrophobicContact CE1-CB 3.92Å; Y424-M470 HydrophobicContact CG-SD 4.48Å; F425-M470 HydrophobicContact CE2-CE 4.1Å; F425-M470 HydrophobicContact CE2-CG 3.86Å; F425-M470 HydrophobicContact CE2-SD 4.02Å; F425-M470 HydrophobicContact CZ-CB 4.45Å; F425-M470 HydrophobicContact CZ-CG 3.82Å; L466-M470 HydrophobicContact CB-CE 3.62Å; L466-M470 HydrophobicContact CB-SD 4.13Å; L466-M470 HydrophobicContact CD2-CE 3.41Å; L466-M470 VanDerWaalsContact CD2-CE 3.41Å; L466-M470 HydrophobicContact CG-CE 4.08Å; L466-M470 WeakPolarHBondContact O-CG 3.45Å; L466-M470 PolarHBondContact O-N 3.14Å; L466-M470 VanDerWaalsContact O-SD 3.41Å; R467-M470 PolarHBondContact O-N 3.23Å; R467-M470 VanDerWaalsContact O-N 3.16Å
471	A	89.2	Confident	91.1	Very high	25 Å²	25	45.8 Å²	45.8	21%	0.207	23%	0.234	C	C	.	.			trans	-140.5	64	-172.2	0	0	0	0	0	110.5	R467 L473 S474 F475	R467-A471 CarbonylContact O-C 3.56Å; R467-A471 PolarHBondContact O-N 3.15Å; A471-L473 VanDerWaalsContact C-N 3.32Å; A471-L473 PolarHBondContact O-N 3.41Å; A471-S474 PolarHBondContact O-N 3.46Å; A471-S474 VanDerWaalsContact O-N 3.11Å; A471-F475 PolarHBondContact O-N 3.32Å
472	V	89.9	Confident	91.1	Very high	53 Å²	53	45.6 Å²	45.6	32%	0.321	23%	0.232	S	C	.	.	H	α-helix	trans	-50.3	-47.9	-174.1	-172.2	0	0	0	0	112.7	L468 S474 F475 I476 W575	L468-V472 WeakPolarHBondContact O-CG2 3.04Å; V472-S474 PolarHBondContact O-N 3.42Å; V472-F475 WeakPolarHBondContact O-CB 3.05Å; V472-F475 PolarHBondContact O-N 3.07Å; V472-I476 HydrophobicContact CG1-CD1 3.87Å; V472-I476 HydrophobicContact CG1-CG1 4.41Å; V472-I476 WeakPolarHBondContact O-CG1 3.44Å; V472-I476 PolarHBondContact O-N 3.01Å; V472-W575 HydrophobicContact CG2-CE3 3.99Å; V472-W575 HydrophobicContact CG2-CH2 4.46Å; V472-W575 HydrophobicContact CG2-CZ3 3.59Å
473	L	89.2	Confident	91.2	Very high	129 Å²	129	43.3 Å²	43.3	68%	0.675	22%	0.223	S	C	*	.	H	α-helix	trans	-63.5	-45.1	-178.3	-66.2	177.2	0	0	0	111.6	A471 F475 I476 F477	A471-L473 VanDerWaalsContact C-N 3.32Å; A471-L473 PolarHBondContact O-N 3.41Å; L473-F475 VanDerWaalsContact C-N 3.26Å; L473-F475 PolarHBondContact O-N 3.37Å; L473-I476 PolarHBondContact O-N 3.39Å; L473-F477 VanDerWaalsContact O-CD2 3.27Å; L473-F477 WeakPolarHBondContact O-CD2 3.48Å; L473-F477 PolarHBondContact O-N 3.01Å
474	S	88.6	Confident	91.3	Very high	88 Å²	88	42.5 Å²	42.5	62%	0.615	22%	0.223	S	C	*	.	H	α-helix	trans	-62.9	-36.4	176	-57.8	0	0	0	0	111.7	A471 V472 E478	A471-S474 PolarHBondContact O-N 3.46Å; A471-S474 VanDerWaalsContact O-N 3.11Å; V472-S474 PolarHBondContact O-N 3.42Å; S474-E478 PolarHBondContact O-N 2.98Å; S474-E478 VanDerWaalsContact O-N 3.14Å
475	F	90.4	Very high	91.3	Very high	7 Å²	7	43.6 Å²	43.6	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-49.2	176.2	-174.2	-89.2	0	0	0	111.5	S464 R467 L468 A471 V472 L473 F477 E478 H555 A558 A559	S464-F475 VanDerWaalsContact O-CE2 3.26Å; S464-F475 WeakPolarHBondContact O-CE2 3.33Å; R467-F475 HydrophobicContact CB-CD2 4.23Å; L468-F475 HydrophobicContact CB-CD1 4.12Å; L468-F475 HydrophobicContact CB-CD2 3.86Å; L468-F475 HydrophobicContact CB-CE1 4.14Å; L468-F475 HydrophobicContact CB-CE2 3.89Å; L468-F475 HydrophobicContact CB-CG 3.97Å; L468-F475 HydrophobicContact CB-CZ 4.03Å; L468-F475 HydrophobicContact CD1-CD1 3.47Å; L468-F475 VanDerWaalsContact CD1-CD1 3.47Å; L468-F475 HydrophobicContact CD1-CE1 3.69Å; L468-F475 HydrophobicContact CD1-CG 4.03Å; L468-F475 HydrophobicContact CD1-CZ 4.41Å; L468-F475 HydrophobicContact CD2-CE1 4.42Å; L468-F475 HydrophobicContact CG-CD1 4.32Å; L468-F475 HydrophobicContact CG-CE1 4.29Å; A471-F475 PolarHBondContact O-N 3.32Å; V472-F475 WeakPolarHBondContact O-CB 3.05Å; V472-F475 PolarHBondContact O-N 3.07Å; L473-F475 VanDerWaalsContact C-N 3.26Å; L473-F475 PolarHBondContact O-N 3.37Å; F475-F477 PolarHBondContact O-N 3.02Å; F475-E478 VanDerWaalsContact O-CB 3.24Å; F475-E478 WeakPolarHBondContact O-CB 3.37Å; F475-E478 PolarHBondContact O-N 2.91Å; F475-H555 AromaticContact CD1-CE1 3.44Å; F475-H555 VanDerWaalsContact CD1-CE1 3.44Å; F475-H555 WeakPolarHBondContact CD1-CE1 3Å; F475-H555 AromaticContact CD1-NE2 3.63Å; F475-H555 AromaticContact CD2-CE1 3.65Å; F475-H555 AromaticContact CE1-CE1 3.22Å; F475-H555 WeakPolarHBondContact CE1-CE1 3.45Å; F475-H555 AromaticContact CE1-NE2 3.24Å; F475-H555 WeakPolarHBondContact CE1-NE2 3.34Å; F475-H555 AromaticContact CE2-CE1 3.44Å; F475-H555 VanDerWaalsContact CE2-CE1 3.44Å; F475-H555 WeakPolarHBondContact CE2-CE1 3.37Å; F475-H555 AromaticContact CE2-ND1 3.64Å; F475-H555 AromaticContact CG-CE1 3.66Å; F475-H555 AromaticContact CZ-CE1 3.23Å; F475-H555 WeakPolarHBondContact CZ-CE1 3.37Å; F475-H555 AromaticContact CZ-ND1 3.56Å; F475-H555 AromaticContact CZ-NE2 3.6Å; F475-H555 PolarHBondContact O-CE1 2.97Å; F475-H555 PolarHBondContact O-NE2 2.75Å; F475-A558 HydrophobicContact CE2-CB 4.39Å; F475-A558 HydrophobicContact CZ-CB 4.1Å; F475-A559 HydrophobicContact CE1-CB 4.36Å
476	I	91	Very high	91.3	Very high	88 Å²	88	43 Å²	43	45%	0.451	23%	0.228	S	C	.	.	H	α-helix	trans	-55.8	-39.2	-179.4	-71.2	167.7	0	0	0	112.2	V472 L473 P479	V472-I476 HydrophobicContact CG1-CD1 3.87Å; V472-I476 HydrophobicContact CG1-CG1 4.41Å; V472-I476 WeakPolarHBondContact O-CG1 3.44Å; V472-I476 PolarHBondContact O-N 3.01Å; L473-I476 PolarHBondContact O-N 3.39Å; I476-P479 WeakPolarHBondContact O-CD 3.41Å
477	F	89.6	Confident	91.4	Very high	131 Å²	131	42.3 Å²	42.3	58%	0.575	22%	0.224	S	C	*	.	H	α-helix	trans	-88.2	-7.4	-179.8	-67.6	-69	0	0	0	114.2	L473 F475 P479 F480	L473-F477 VanDerWaalsContact O-CD2 3.27Å; L473-F477 WeakPolarHBondContact O-CD2 3.48Å; L473-F477 PolarHBondContact O-N 3.01Å; F475-F477 PolarHBondContact O-N 3.02Å; F477-P479 VanDerWaalsContact C-CD 3.47Å; F477-F480 HydrophobicContact CD1-CD2 4.18Å; F477-F480 PolarHBondContact O-N 3.11Å; F477-F480 VanDerWaalsContact O-N 3.14Å
478	E	91.1	Very high	91.5	Very high	21 Å²	21	44.4 Å²	44.4	10%	0.098	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-55.7	-42.5	-178	-166.7	-179.9	137.3	0	0	113	W379 R467 S474 F475 F480 T481	W379-E478 HydrophobicContact CZ2-CG 4.34Å; W379-E478 WeakPolarHBondContact CZ2-OE1 3.39Å; R467-E478 IonicContact CZ-OE1 3.74Å; R467-E478 IonicContact CZ-OE2 2.85Å; R467-E478 IonicContact NE-OE2 2.99Å; R467-E478 PolarHBondContact NE-OE2 2.92Å; R467-E478 IonicContact NH2-OE1 3.77Å; R467-E478 PolarHBondContact NH2-OE1 3.44Å; R467-E478 IonicContact NH2-OE2 3.13Å; R467-E478 PolarHBondContact NH2-OE2 3.4Å; S474-E478 PolarHBondContact O-N 2.98Å; S474-E478 VanDerWaalsContact O-N 3.14Å; F475-E478 VanDerWaalsContact O-CB 3.24Å; F475-E478 WeakPolarHBondContact O-CB 3.37Å; F475-E478 PolarHBondContact O-N 2.91Å; E478-F480 VanDerWaalsContact C-N 3.25Å; E478-F480 PolarHBondContact O-N 2.92Å; E478-T481 WeakPolarHBondContact O-CB 3.49Å; E478-T481 PolarHBondContact O-N 2.79Å; E478-T481 PolarHBondContact O-OG1 3.38Å
479	P	91.4	Very high	91.5	Very high	12 Å²	12	45 Å²	45	8%	0.078	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-58.1	-33.8	177.9	-28.5	38.6	0	0	0	114.2	I476 F477 T481 R482 P485 F552 H555	I476-P479 WeakPolarHBondContact O-CD 3.41Å; F477-P479 VanDerWaalsContact C-CD 3.47Å; P479-T481 PolarHBondContact O-N 3.2Å; P479-R482 WeakPolarHBondContact O-CB 3.42Å; P479-R482 PolarHBondContact O-N 3.22Å; P479-R482 VanDerWaalsContact O-N 3.11Å; P479-P485 HydrophobicContact CB-CG 4.44Å; P479-P485 WeakPolarHBondContact O-CB 3.21Å; P479-P485 WeakPolarHBondContact O-CG 3.14Å; P479-F552 HydrophobicContact CB-CD2 4.1Å; P479-F552 HydrophobicContact CB-CE2 4.26Å; P479-H555 WeakPolarHBondContact CG-CD2 3.42Å; P479-H555 WeakPolarHBondContact CG-NE2 3.33Å
480	F	89.6	Confident	91.7	Very high	82 Å²	82	44.8 Å²	44.8	36%	0.36	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-76.6	-8	-180	-56.2	-69.7	0	0	0	113.1	F477 E478 N486 L489	F477-F480 HydrophobicContact CD1-CD2 4.18Å; F477-F480 PolarHBondContact O-N 3.11Å; F477-F480 VanDerWaalsContact O-N 3.14Å; E478-F480 VanDerWaalsContact C-N 3.25Å; E478-F480 PolarHBondContact O-N 2.92Å; F480-N486 VanDerWaalsContact O-CG 3.28Å; F480-N486 PolarHBondContact O-OD1 3.34Å; F480-L489 HydrophobicContact CD1-CD2 3.99Å; F480-L489 HydrophobicContact CE1-CD2 4.21Å
481	T	90.6	Very high	91.9	Very high	61 Å²	61	44.1 Å²	44.1	37%	0.374	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-89.7	-2.7	169.7	73.3	0	0	0	0	113	E478 P479 W515	E478-T481 WeakPolarHBondContact O-CB 3.49Å; E478-T481 PolarHBondContact O-N 2.79Å; E478-T481 PolarHBondContact O-OG1 3.38Å; P479-T481 PolarHBondContact O-N 3.2Å; T481-W515 WeakPolarHBondContact O-CH2 3.33Å; T481-W515 WeakPolarHBondContact O-CZ2 3.46Å
482	R	93.6	Very high	92	Very high	16 Å²	16	46 Å²	46	6%	0.06	24%	0.243	C	C	.	.	S	Bend	trans	-95.3	159.6	177.9	-61.8	-62.6	-164.4	142.9	-1.5	111.5	W379 P479 P485 N486 E548 A551	W379-R482 VanDerWaalsContact CD1-NE 3.27Å; W379-R482 VanDerWaalsContact CD2-CZ 3.46Å; W379-R482 VanDerWaalsContact CE2-CZ 3.46Å; W379-R482 VanDerWaalsContact CG-NH1 3.28Å; W379-R482 VanDerWaalsContact NE1-CZ 3.31Å; W379-R482 VanDerWaalsContact NE1-NE 3.11Å; P479-R482 WeakPolarHBondContact O-CB 3.42Å; P479-R482 PolarHBondContact O-N 3.22Å; P479-R482 VanDerWaalsContact O-N 3.11Å; R482-P485 HydrophobicContact CB-CG 4.4Å; R482-N486 WeakPolarHBondContact O-CB 3.19Å; R482-N486 PolarHBondContact O-N 2.84Å; R482-E548 IonicContact NH1-OE1 2.98Å; R482-A551 HydrophobicContact CG-CB 4.35Å
483	C	95.6	Very high	92.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-58.2	-174.8	-176.9	0	0	0	0	111.8	N486 A487 W515 W544 E548	C483-N486 PolarHBondContact O-N 3.24Å; C483-A487 WeakPolarHBondContact O-CB 3.31Å; C483-A487 PolarHBondContact O-N 2.84Å; C483-W515 HydrophobicContact CB-CD2 3.89Å; C483-W515 HydrophobicContact CB-CG 3.83Å; C483-W515 HydrophobicContact CB-CZ2 4.48Å; C483-W544 HydrophobicContact CB-CZ2 4.44Å; C483-E548 HydrophobicContact CB-CG 4.33Å; C483-E548 WeakPolarHBondContact CB-OE2 3.45Å; C483-E548 PolarHBondContact N-OE2 3.39Å; C483-E548 VanDerWaalsContact N-OE2 3.11Å
484	L	95.1	Very high	92.1	Very high	42 Å²	42	39 Å²	39	22%	0.22	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-49.5	-168.8	-58.7	174.7	0	0	0	114.1	N486 A487 L488 F508 I512 E548 L549	L484-N486 VanDerWaalsContact C-N 3.29Å; L484-N486 PolarHBondContact O-N 3.5Å; L484-A487 PolarHBondContact O-N 3.17Å; L484-L488 WeakPolarHBondContact O-CG 3.43Å; L484-L488 PolarHBondContact O-N 3.12Å; L484-F508 HydrophobicContact CD2-CZ 4.32Å; L484-I512 HydrophobicContact CD2-CD1 3.68Å; L484-I512 HydrophobicContact CD2-CG1 4.32Å; L484-E548 HydrophobicContact CD1-CB 4.48Å; L484-L549 HydrophobicContact CD1-CD2 3.83Å; L484-L549 HydrophobicContact CD1-CG 4.47Å
485	P	93.5	Very high	92.2	Very high	23 Å²	23	36 Å²	36	15%	0.149	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-37.9	179.2	-21.7	35.2	0	0	0	112.1	P479 R482 L489 F552	P479-P485 HydrophobicContact CB-CG 4.44Å; P479-P485 WeakPolarHBondContact O-CB 3.21Å; P479-P485 WeakPolarHBondContact O-CG 3.14Å; R482-P485 HydrophobicContact CB-CG 4.4Å; P485-L489 WeakPolarHBondContact O-CB 3.4Å; P485-L489 PolarHBondContact O-N 3.5Å; P485-F552 HydrophobicContact CG-CB 4.4Å; P485-F552 HydrophobicContact CG-CD2 4.06Å; P485-F552 HydrophobicContact CG-CG 4.41Å
486	N	93.5	Very high	92	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-73.3	-35.4	-180	-154.4	39.5	0	0	0	112	S52 N53 S56 F480 R482 C483 L484 L489 G490 Y511	S52-N486 PolarHBondContact OG-OD1 3.05Å; N53-N486 PolarHBondContact ND2-O 2.77Å; N53-N486 VanDerWaalsContact ND2-O 3.12Å; N53-N486 PolarHBondContact OD1-ND2 2.68Å; N53-N486 VanDerWaalsContact OD1-ND2 3.08Å; N53-N486 PolarHBondContact OD1-O 2.81Å; S56-N486 PolarHBondContact OG-ND2 3Å; F480-N486 VanDerWaalsContact O-CG 3.28Å; F480-N486 PolarHBondContact O-OD1 3.34Å; R482-N486 WeakPolarHBondContact O-CB 3.19Å; R482-N486 PolarHBondContact O-N 2.84Å; C483-N486 PolarHBondContact O-N 3.24Å; L484-N486 VanDerWaalsContact C-N 3.29Å; L484-N486 PolarHBondContact O-N 3.5Å; N486-L489 PolarHBondContact O-N 3.11Å; N486-G490 PolarHBondContact O-N 3.35Å; N486-Y511 PolarHBondContact ND2-OH 3.44Å
487	A	95.1	Very high	91.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-44.1	173.6	0	0	0	0	0	111.9	C483 L484 G490 A491 F508 Y511 I512	C483-A487 WeakPolarHBondContact O-CB 3.31Å; C483-A487 PolarHBondContact O-N 2.84Å; L484-A487 PolarHBondContact O-N 3.17Å; A487-G490 PolarHBondContact O-N 3.49Å; A487-A491 WeakPolarHBondContact O-CB 3.36Å; A487-A491 PolarHBondContact O-N 3.04Å; A487-F508 HydrophobicContact CB-CD2 3.6Å; A487-F508 HydrophobicContact CB-CE2 3.7Å; A487-Y511 HydrophobicContact CB-CD1 3.45Å; A487-Y511 VanDerWaalsContact CB-CD1 3.45Å; A487-Y511 HydrophobicContact CB-CE1 3.97Å; A487-Y511 HydrophobicContact CB-CG 4Å; A487-I512 HydrophobicContact CB-CG1 4.32Å
488	L	93.8	Very high	91.8	Very high	108 Å²	108	35.2 Å²	35.2	57%	0.565	18%	0.178	S	C	*	.	H	α-helix	trans	-62.5	-47.6	175.2	-72.6	173.6	0	0	0	111.4	L484 G490 A491 F492 F508	L484-L488 WeakPolarHBondContact O-CG 3.43Å; L484-L488 PolarHBondContact O-N 3.12Å; L488-G490 VanDerWaalsContact C-N 3.29Å; L488-G490 PolarHBondContact O-N 2.83Å; L488-A491 PolarHBondContact O-N 3.38Å; L488-F492 PolarHBondContact O-N 3.42Å; L488-F508 HydrophobicContact CD2-CD2 3.99Å; L488-F508 HydrophobicContact CD2-CE2 3.63Å; L488-F508 HydrophobicContact CD2-CZ 4.3Å; L488-F508 HydrophobicContact CG-CD2 4.37Å; L488-F508 HydrophobicContact CG-CE2 3.79Å
489	L	92.8	Very high	91.5	Very high	32 Å²	32	38.2 Å²	38.2	17%	0.168	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-40.5	177.2	-179	61	0	0	0	111.5	L45 F480 P485 N486 T493	L45-L489 HydrophobicContact CD2-CD1 3.7Å; L45-L489 HydrophobicContact CG-CD1 4.17Å; F480-L489 HydrophobicContact CD1-CD2 3.99Å; F480-L489 HydrophobicContact CE1-CD2 4.21Å; P485-L489 WeakPolarHBondContact O-CB 3.4Å; P485-L489 PolarHBondContact O-N 3.5Å; N486-L489 PolarHBondContact O-N 3.11Å; L489-T493 VanDerWaalsContact O-CB 3.23Å; L489-T493 WeakPolarHBondContact O-CB 3.43Å; L489-T493 PolarHBondContact O-N 3.35Å; L489-T493 PolarHBondContact O-OG1 3.33Å
490	G	92.8	Very high	91.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-44.1	176.4	0	0	0	0	0	112.9	N53 N486 A487 L488 T493 F494	N53-G490 WeakPolarHBondContact ND2-CA 3.43Å; N53-G490 PolarHBondContact ND2-N 2.94Å; N486-G490 PolarHBondContact O-N 3.35Å; A487-G490 PolarHBondContact O-N 3.49Å; L488-G490 VanDerWaalsContact C-N 3.29Å; L488-G490 PolarHBondContact O-N 2.83Å; G490-T493 PolarHBondContact O-N 3.44Å; G490-F494 VanDerWaalsContact O-CB 3.29Å; G490-F494 WeakPolarHBondContact O-CB 3.48Å; G490-F494 PolarHBondContact O-N 2.85Å
491	A	93.3	Very high	91.1	Very high	8 Å²	8	47.3 Å²	47.3	7%	0.066	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-46.7	178.5	0	0	0	0	0	111.7	A487 L488 F494 A495 P504 Y507 F508	A487-A491 WeakPolarHBondContact O-CB 3.36Å; A487-A491 PolarHBondContact O-N 3.04Å; L488-A491 PolarHBondContact O-N 3.38Å; A491-F494 PolarHBondContact O-N 3.3Å; A491-A495 WeakPolarHBondContact O-CB 3.39Å; A491-A495 PolarHBondContact O-N 3.37Å; A491-P504 HydrophobicContact CB-CB 4.24Å; A491-P504 WeakPolarHBondContact CB-O 3.14Å; A491-Y507 VanDerWaalsContact CA-CD1 3.43Å; A491-Y507 HydrophobicContact CB-CD1 3.8Å; A491-Y507 HydrophobicContact CB-CE1 4.5Å; A491-Y507 VanDerWaalsContact N-CE1 3.32Å; A491-F508 HydrophobicContact CB-CB 4.23Å
492	F	91.7	Very high	91.1	Very high	66 Å²	66	47.4 Å²	47.4	29%	0.289	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-47.9	175.4	177.5	-94.2	0	0	0	111.4	Y27 I42 L45 L488 F494 A495 Y496	Y27-F492 HydrophobicContact CE1-CD2 4.19Å; Y27-F492 AromaticContact CE1-CE2 3.89Å; Y27-F492 HydrophobicContact CE1-CE2 3.89Å; I42-F492 HydrophobicContact CG2-CE1 4.13Å; I42-F492 HydrophobicContact CG2-CZ 4.19Å; L45-F492 HydrophobicContact CD2-CD1 3.92Å; L45-F492 HydrophobicContact CD2-CE1 3.83Å; L488-F492 PolarHBondContact O-N 3.42Å; F492-F494 PolarHBondContact O-N 3.33Å; F492-A495 PolarHBondContact O-N 3.35Å; F492-Y496 WeakPolarHBondContact O-CB 3.4Å; F492-Y496 PolarHBondContact O-N 2.88Å
493	T	91.3	Very high	91	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-46	179.5	-63.8	0	0	0	0	112.4	C46 I50 L489 G490 Y496 I497	C46-T493 HydrophobicContact CB-CG2 3.81Å; C46-T493 WeakPolarHBondContact O-CG2 3.46Å; I50-T493 HydrophobicContact CB-CG2 4.19Å; I50-T493 HydrophobicContact CD1-CG2 3.32Å; I50-T493 HydrophobicContact CG1-CG2 3.39Å; L489-T493 VanDerWaalsContact O-CB 3.23Å; L489-T493 WeakPolarHBondContact O-CB 3.43Å; L489-T493 PolarHBondContact O-N 3.35Å; L489-T493 PolarHBondContact O-OG1 3.33Å; G490-T493 PolarHBondContact O-N 3.44Å; T493-Y496 PolarHBondContact O-N 3.45Å; T493-I497 HydrophobicContact CG2-CD1 4.18Å; T493-I497 WeakPolarHBondContact O-CG1 3.19Å; T493-I497 PolarHBondContact O-N 2.87Å
494	F	89.6	Confident	90.8	Very high	35 Å²	35	53.1 Å²	53.1	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-40	-176.6	-164.5	-85.7	0	0	0	111.2	G490 A491 F492 Y496 F498 F501 I502 Y507	G490-F494 VanDerWaalsContact O-CB 3.29Å; G490-F494 WeakPolarHBondContact O-CB 3.48Å; G490-F494 PolarHBondContact O-N 2.85Å; A491-F494 PolarHBondContact O-N 3.3Å; F492-F494 PolarHBondContact O-N 3.33Å; F494-Y496 VanDerWaalsContact C-N 3.32Å; F494-Y496 PolarHBondContact O-N 2.95Å; F494-F498 HydrophobicContact CD1-CB 4.48Å; F494-F498 AromaticContact CD2-CD2 3.93Å; F494-F498 HydrophobicContact CD2-CD2 3.93Å; F494-F498 HydrophobicContact CD2-CE2 4.42Å; F494-F498 HydrophobicContact CE1-CB 4.05Å; F494-F498 HydrophobicContact CE1-CD2 4.28Å; F494-F498 AromaticContact CE2-CD2 3.65Å; F494-F498 HydrophobicContact CE2-CD2 3.65Å; F494-F498 HydrophobicContact CE2-CE2 4.09Å; F494-F498 HydrophobicContact CG-CD2 4.37Å; F494-F498 HydrophobicContact CZ-CB 4.25Å; F494-F498 AromaticContact CZ-CD2 3.84Å; F494-F498 HydrophobicContact CZ-CD2 3.84Å; F494-F498 HydrophobicContact CZ-CG 4.28Å; F494-F498 PolarHBondContact O-N 3.39Å; F494-F501 HydrophobicContact CE1-CB 4.2Å; F494-F501 AromaticContact CE1-CD1 3.64Å; F494-F501 HydrophobicContact CE1-CD1 3.64Å; F494-F501 HydrophobicContact CE1-CG 4.36Å; F494-F501 AromaticContact CZ-CD1 3.51Å; F494-F501 HydrophobicContact CZ-CD1 3.51Å; F494-F501 HydrophobicContact CZ-CE1 4.06Å; F494-F501 HydrophobicContact CZ-CG 4.42Å; F494-I502 HydrophobicContact CD1-CB 4.26Å; F494-I502 HydrophobicContact CE1-CB 3.79Å; F494-I502 HydrophobicContact CE1-CD1 3.97Å; F494-I502 HydrophobicContact CE1-CG1 4.18Å; F494-I502 HydrophobicContact CZ-CD1 4.06Å; F494-Y507 HydrophobicContact CB-CD2 3.85Å; F494-Y507 HydrophobicContact CB-CE2 3.91Å; F494-Y507 HydrophobicContact CB-CG 4.4Å; F494-Y507 HydrophobicContact CD1-CD2 4.21Å; F494-Y507 HydrophobicContact CD2-CD2 4.07Å; F494-Y507 AromaticContact CD2-CE2 3.85Å; F494-Y507 HydrophobicContact CD2-CE2 3.85Å; F494-Y507 AromaticContact CG-CD2 3.75Å; F494-Y507 HydrophobicContact CG-CD2 3.75Å; F494-Y507 AromaticContact CG-CE2 3.91Å; F494-Y507 HydrophobicContact CG-CE2 3.91Å
495	A	90.2	Very high	90.7	Very high	24 Å²	24	52.8 Å²	52.8	20%	0.198	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-35.5	174.4	0	0	0	0	0	112.8	A491 F492 P504	A491-A495 WeakPolarHBondContact O-CB 3.39Å; A491-A495 PolarHBondContact O-N 3.37Å; F492-A495 PolarHBondContact O-N 3.35Å; A495-P504 HydrophobicContact CB-CB 4.15Å; A495-P504 HydrophobicContact CB-CG 4.28Å
496	Y	87.4	Confident	90.7	Very high	41 Å²	41	55.4 Å²	55.4	16%	0.161	30%	0.298	C	S	.	.	H	α-helix	trans	-68.7	-47.2	176.8	-175.5	-92.9	0	0	0	112.5	Y31 I42 S43 C46 F492 T493 F494	Y31-Y496 HydrophobicContact CE1-CD2 4.27Å; Y31-Y496 AromaticContact CE1-CE2 3.67Å; Y31-Y496 HydrophobicContact CE1-CE2 3.67Å; Y31-Y496 AromaticContact CZ-CD2 3.87Å; Y31-Y496 AromaticContact CZ-CE2 3.75Å; Y31-Y496 WeakPolarHBondContact OH-CD2 3.47Å; Y31-Y496 VanDerWaalsContact OH-CE2 3.22Å; Y31-Y496 WeakPolarHBondContact OH-CE2 3.29Å; I42-Y496 HydrophobicContact CB-CE2 4.39Å; I42-Y496 HydrophobicContact CG2-CD2 3.66Å; I42-Y496 HydrophobicContact CG2-CE1 4.29Å; I42-Y496 HydrophobicContact CG2-CE2 3.39Å; I42-Y496 HydrophobicContact CG2-CG 4.24Å; S43-Y496 PolarHBondContact OG-OH 2.95Å; C46-Y496 HydrophobicContact CB-CD1 4.19Å; C46-Y496 VanDerWaalsContact SG-CD1 3.59Å; F492-Y496 WeakPolarHBondContact O-CB 3.4Å; F492-Y496 PolarHBondContact O-N 2.88Å; T493-Y496 PolarHBondContact O-N 3.45Å; F494-Y496 VanDerWaalsContact C-N 3.32Å; F494-Y496 PolarHBondContact O-N 2.95Å
497	I	87.2	Confident	90.7	Very high	68 Å²	68	57.5 Å²	57.5	35%	0.349	31%	0.306	S	S	.	.	H	α-helix	trans	-80.8	-37	-174.4	-62	-173.6	0	0	0	112.5	C46 I50 T493 P499	C46-I497 HydrophobicContact CB-CD1 4.3Å; C46-I497 HydrophobicContact CB-CG1 4.41Å; I50-I497 HydrophobicContact CD1-CD1 3.39Å; T493-I497 HydrophobicContact CG2-CD1 4.18Å; T493-I497 WeakPolarHBondContact O-CG1 3.19Å; T493-I497 PolarHBondContact O-N 2.87Å; I497-P499 VanDerWaalsContact O-CD 3.26Å; I497-P499 WeakPolarHBondContact O-CD 3.23Å
498	F	87.9	Confident	90.7	Very high	100 Å²	100	59.5 Å²	59.5	44%	0.439	32%	0.315	S	S	.	.	S	Bend	trans	-120.4	67.3	-177.5	-56.7	-73.2	0	0	0	110.2	F494 N500 F501	F494-F498 HydrophobicContact CD1-CB 4.48Å; F494-F498 AromaticContact CD2-CD2 3.93Å; F494-F498 HydrophobicContact CD2-CD2 3.93Å; F494-F498 HydrophobicContact CD2-CE2 4.42Å; F494-F498 HydrophobicContact CE1-CB 4.05Å; F494-F498 HydrophobicContact CE1-CD2 4.28Å; F494-F498 AromaticContact CE2-CD2 3.65Å; F494-F498 HydrophobicContact CE2-CD2 3.65Å; F494-F498 HydrophobicContact CE2-CE2 4.09Å; F494-F498 HydrophobicContact CG-CD2 4.37Å; F494-F498 HydrophobicContact CZ-CB 4.25Å; F494-F498 AromaticContact CZ-CD2 3.84Å; F494-F498 HydrophobicContact CZ-CD2 3.84Å; F494-F498 HydrophobicContact CZ-CG 4.28Å; F494-F498 PolarHBondContact O-N 3.39Å; F498-N500 PolarHBondContact O-N 3.22Å; F498-F501 HydrophobicContact CB-CB 3.8Å; F498-F501 PolarHBondContact O-N 2.91Å; F498-F501 VanDerWaalsContact O-N 3.14Å
499	P	85.4	Confident	90.9	Very high	85 Å²	85	60 Å²	60	55%	0.552	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	133.5	179.6	25.4	-33.8	0	0	0	109.5	I497 F501	I497-P499 VanDerWaalsContact O-CD 3.26Å; I497-P499 WeakPolarHBondContact O-CD 3.23Å; P499-F501 VanDerWaalsContact C-N 3.28Å; P499-F501 PolarHBondContact O-N 3.01Å
500	N	84.4	Confident	91	Very high	135 Å²	135	62.2 Å²	62.2	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	5.7	-178.9	-51.8	-49	0	0	0	117.3	Y24 F498	Y24-N500 PolarHBondContact OH-OD1 3.06Å; F498-N500 PolarHBondContact O-N 3.22Å
501	F	89.2	Confident	91.2	Very high	150 Å²	150	62.6 Å²	62.6	66%	0.658	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-53.8	175.8	-171.7	-98.8	0	0	0	112.1	F494 F498 P499	F494-F501 HydrophobicContact CE1-CB 4.2Å; F494-F501 AromaticContact CE1-CD1 3.64Å; F494-F501 HydrophobicContact CE1-CD1 3.64Å; F494-F501 HydrophobicContact CE1-CG 4.36Å; F494-F501 AromaticContact CZ-CD1 3.51Å; F494-F501 HydrophobicContact CZ-CD1 3.51Å; F494-F501 HydrophobicContact CZ-CE1 4.06Å; F494-F501 HydrophobicContact CZ-CG 4.42Å; F498-F501 HydrophobicContact CB-CB 3.8Å; F498-F501 PolarHBondContact O-N 2.91Å; F498-F501 VanDerWaalsContact O-N 3.14Å; P499-F501 VanDerWaalsContact C-N 3.28Å; P499-F501 PolarHBondContact O-N 3.01Å
502	I	89.1	Confident	91.4	Very high	62 Å²	62	63.6 Å²	63.6	32%	0.318	34%	0.338	S	S	.	.	S	Bend	trans	-136.5	137.2	177.3	-71.1	164.1	0	0	0	108.2	F494 V506	F494-I502 HydrophobicContact CD1-CB 4.26Å; F494-I502 HydrophobicContact CE1-CB 3.79Å; F494-I502 HydrophobicContact CE1-CD1 3.97Å; F494-I502 HydrophobicContact CE1-CG1 4.18Å; F494-I502 HydrophobicContact CZ-CD1 4.06Å; I502-V506 HydrophobicContact CG2-CB 4.05Å; I502-V506 HydrophobicContact CG2-CG1 4.13Å
503	D	91.9	Very high	91.6	Very high	93 Å²	93	65.4 Å²	65.4	50%	0.497	35%	0.351	S	S	.	.			trans	-60.8	131.7	171.4	173.8	-93.8	0	0	0	110.5	G505 V506 Y507	D503-G505 PolarHBondContact O-N 3.44Å; D503-G505 VanDerWaalsContact O-N 3.16Å; D503-G505 WeakPolarHBondContact OD1-CA 3.17Å; D503-G505 PolarHBondContact OD1-N 3.43Å; D503-V506 HydrophobicContact CB-CB 4.26Å; D503-V506 HydrophobicContact CB-CG2 3.94Å; D503-V506 WeakPolarHBondContact O-CA 3.4Å; D503-V506 WeakPolarHBondContact O-CB 3.2Å; D503-V506 PolarHBondContact O-N 3.32Å; D503-V506 PolarHBondContact OD1-N 3.29Å; D503-V506 VanDerWaalsContact OD1-N 3.1Å; D503-Y507 PolarHBondContact O-N 3.36Å
504	P	90.9	Very high	91.9	Very high	43 Å²	43	69.5 Å²	69.5	28%	0.279	37%	0.372	S	S	.	.	H	α-helix	trans	-57.9	-30.8	-178.2	17.6	-29.1	0	0	0	113.5	A491 A495 F508	A491-P504 HydrophobicContact CB-CB 4.24Å; A491-P504 WeakPolarHBondContact CB-O 3.14Å; A495-P504 HydrophobicContact CB-CB 4.15Å; A495-P504 HydrophobicContact CB-CG 4.28Å; P504-F508 WeakPolarHBondContact O-CB 3.19Å; P504-F508 PolarHBondContact O-N 3.46Å
505	G	93.3	Very high	92.3	Very high	35 Å²	35	68 Å²	68	36%	0.361	37%	0.365	S	S	.	.	H	α-helix	trans	-67.1	-41.5	173.4	0	0	0	0	0	112.4	D503 F508 M509	D503-G505 PolarHBondContact O-N 3.44Å; D503-G505 VanDerWaalsContact O-N 3.16Å; D503-G505 WeakPolarHBondContact OD1-CA 3.17Å; D503-G505 PolarHBondContact OD1-N 3.43Å; G505-F508 PolarHBondContact O-N 3.37Å; G505-M509 WeakPolarHBondContact O-CG 3.21Å; G505-M509 PolarHBondContact O-N 2.93Å
506	V	94.1	Very high	92.6	Very high	79 Å²	79	68.8 Å²	68.8	48%	0.479	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-45.7	173.7	176.8	0	0	0	0	111	I502 D503 F508 M509 C510	I502-V506 HydrophobicContact CG2-CB 4.05Å; I502-V506 HydrophobicContact CG2-CG1 4.13Å; D503-V506 HydrophobicContact CB-CB 4.26Å; D503-V506 HydrophobicContact CB-CG2 3.94Å; D503-V506 WeakPolarHBondContact O-CA 3.4Å; D503-V506 WeakPolarHBondContact O-CB 3.2Å; D503-V506 PolarHBondContact O-N 3.32Å; D503-V506 PolarHBondContact OD1-N 3.29Å; D503-V506 VanDerWaalsContact OD1-N 3.1Å; V506-F508 VanDerWaalsContact C-N 3.32Å; V506-F508 PolarHBondContact O-N 3.18Å; V506-M509 PolarHBondContact O-N 3.03Å; V506-C510 WeakPolarHBondContact O-CB 3.44Å; V506-C510 PolarHBondContact O-N 3.38Å; V506-C510 PolarHBondContact O-SG 3.23Å; V506-C510 VanDerWaalsContact O-SG 3.4Å
507	Y	93.5	Very high	93.1	Very high	44 Å²	44	70.8 Å²	70.8	17%	0.173	38%	0.377	C	S	.	.	H	α-helix	trans	-55.1	-50.3	174.7	179.2	-79.5	0	0	0	110.9	A491 F494 D503 M509 C510 Y511	A491-Y507 VanDerWaalsContact CA-CD1 3.43Å; A491-Y507 HydrophobicContact CB-CD1 3.8Å; A491-Y507 HydrophobicContact CB-CE1 4.5Å; A491-Y507 VanDerWaalsContact N-CE1 3.32Å; F494-Y507 HydrophobicContact CB-CD2 3.85Å; F494-Y507 HydrophobicContact CB-CE2 3.91Å; F494-Y507 HydrophobicContact CB-CG 4.4Å; F494-Y507 HydrophobicContact CD1-CD2 4.21Å; F494-Y507 HydrophobicContact CD2-CD2 4.07Å; F494-Y507 AromaticContact CD2-CE2 3.85Å; F494-Y507 HydrophobicContact CD2-CE2 3.85Å; F494-Y507 AromaticContact CG-CD2 3.75Å; F494-Y507 HydrophobicContact CG-CD2 3.75Å; F494-Y507 AromaticContact CG-CE2 3.91Å; F494-Y507 HydrophobicContact CG-CE2 3.91Å; D503-Y507 PolarHBondContact O-N 3.36Å; Y507-M509 VanDerWaalsContact C-N 3.35Å; Y507-M509 PolarHBondContact O-N 3.46Å; Y507-C510 PolarHBondContact O-N 3.35Å; Y507-Y511 HydrophobicContact CE1-CD2 4.11Å; Y507-Y511 WeakPolarHBondContact O-CB 3.22Å; Y507-Y511 PolarHBondContact O-N 3.47Å
508	F	95.5	Very high	93.6	Very high	41 Å²	41	68.6 Å²	68.6	18%	0.18	37%	0.366	C	S	.	.	H	α-helix	trans	-58.3	-45.1	-179.3	179.1	-99.5	0	0	0	112	L484 A487 L488 A491 P504 G505 V506 Y511 I512	L484-F508 HydrophobicContact CD2-CZ 4.32Å; A487-F508 HydrophobicContact CB-CD2 3.6Å; A487-F508 HydrophobicContact CB-CE2 3.7Å; L488-F508 HydrophobicContact CD2-CD2 3.99Å; L488-F508 HydrophobicContact CD2-CE2 3.63Å; L488-F508 HydrophobicContact CD2-CZ 4.3Å; L488-F508 HydrophobicContact CG-CD2 4.37Å; L488-F508 HydrophobicContact CG-CE2 3.79Å; A491-F508 HydrophobicContact CB-CB 4.23Å; P504-F508 WeakPolarHBondContact O-CB 3.19Å; P504-F508 PolarHBondContact O-N 3.46Å; G505-F508 PolarHBondContact O-N 3.37Å; V506-F508 VanDerWaalsContact C-N 3.32Å; V506-F508 PolarHBondContact O-N 3.18Å; F508-Y511 PolarHBondContact O-N 3.13Å; F508-I512 HydrophobicContact CD1-CD1 3.84Å; F508-I512 HydrophobicContact CD2-CD1 4.39Å; F508-I512 HydrophobicContact CE1-CD1 3.29Å; F508-I512 HydrophobicContact CE2-CD1 3.88Å; F508-I512 HydrophobicContact CG-CD1 4.37Å; F508-I512 HydrophobicContact CZ-CD1 3.33Å; F508-I512 HydrophobicContact CZ-CG1 4.45Å; F508-I512 WeakPolarHBondContact O-CG1 3.21Å; F508-I512 PolarHBondContact O-N 3.07Å
509	M	96.6	Very high	94.1	Very high	119 Å²	119	63.9 Å²	63.9	59%	0.586	35%	0.345	S	S	*	.	H	α-helix	trans	-67.2	-43.9	178.6	-70.1	-59.1	151.2	0	0	112.8	G505 V506 Y507 Y511 I512 L513	G505-M509 WeakPolarHBondContact O-CG 3.21Å; G505-M509 PolarHBondContact O-N 2.93Å; V506-M509 PolarHBondContact O-N 3.03Å; Y507-M509 VanDerWaalsContact C-N 3.35Å; Y507-M509 PolarHBondContact O-N 3.46Å; M509-Y511 VanDerWaalsContact C-N 3.3Å; M509-Y511 PolarHBondContact O-N 2.96Å; M509-I512 PolarHBondContact O-N 3.3Å; M509-L513 WeakPolarHBondContact O-CB 3.48Å; M509-L513 PolarHBondContact O-N 3.28Å
510	C	96.2	Very high	94.6	Very high	78 Å²	78	62.8 Å²	62.8	53%	0.527	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-40.3	175.4	-72.4	0	0	0	0	111.7	V506 Y507 L513 L514	V506-C510 WeakPolarHBondContact O-CB 3.44Å; V506-C510 PolarHBondContact O-N 3.38Å; V506-C510 PolarHBondContact O-SG 3.23Å; V506-C510 VanDerWaalsContact O-SG 3.4Å; Y507-C510 PolarHBondContact O-N 3.35Å; C510-L513 PolarHBondContact O-N 3.47Å; C510-L514 WeakPolarHBondContact O-CB 3.5Å; C510-L514 PolarHBondContact O-N 3.26Å
511	Y	96	Very high	95.2	Very high	8 Å²	8	60.3 Å²	60.3	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-51.4	178	-170.9	-79.6	0	0	0	111.8	N53 F57 N486 A487 Y507 F508 M509 L513 L514 W515	N53-Y511 HydrophobicContact CB-CE2 4.23Å; N53-Y511 WeakPolarHBondContact OD1-CE2 2.96Å; N53-Y511 PolarHBondContact OD1-OH 3.35Å; F57-Y511 HydrophobicContact CD2-CE2 4.09Å; F57-Y511 AromaticContact CE2-CD2 3.6Å; F57-Y511 HydrophobicContact CE2-CD2 3.6Å; F57-Y511 AromaticContact CE2-CE2 3.1Å; F57-Y511 HydrophobicContact CE2-CE2 3.1Å; F57-Y511 AromaticContact CE2-CZ 3.76Å; F57-Y511 HydrophobicContact CZ-CD1 4.48Å; F57-Y511 AromaticContact CZ-CD2 3.68Å; F57-Y511 HydrophobicContact CZ-CD2 3.68Å; F57-Y511 HydrophobicContact CZ-CE1 4.26Å; F57-Y511 AromaticContact CZ-CE2 3.39Å; F57-Y511 HydrophobicContact CZ-CE2 3.39Å; F57-Y511 HydrophobicContact CZ-CG 4.22Å; F57-Y511 AromaticContact CZ-CZ 3.72Å; N486-Y511 PolarHBondContact ND2-OH 3.44Å; A487-Y511 HydrophobicContact CB-CD1 3.45Å; A487-Y511 VanDerWaalsContact CB-CD1 3.45Å; A487-Y511 HydrophobicContact CB-CE1 3.97Å; A487-Y511 HydrophobicContact CB-CG 4Å; Y507-Y511 HydrophobicContact CE1-CD2 4.11Å; Y507-Y511 WeakPolarHBondContact O-CB 3.22Å; Y507-Y511 PolarHBondContact O-N 3.47Å; F508-Y511 PolarHBondContact O-N 3.13Å; M509-Y511 VanDerWaalsContact C-N 3.3Å; M509-Y511 PolarHBondContact O-N 2.96Å; Y511-L513 VanDerWaalsContact C-N 3.31Å; Y511-L513 PolarHBondContact O-N 2.92Å; Y511-L514 PolarHBondContact O-N 3.46Å; Y511-W515 HydrophobicContact CE1-CD2 4.44Å; Y511-W515 AromaticContact CE1-CE3 3.64Å; Y511-W515 HydrophobicContact CE1-CE3 3.64Å; Y511-W515 HydrophobicContact CE1-CZ3 4.21Å; Y511-W515 AromaticContact CZ-CE3 3.88Å; Y511-W515 WeakPolarHBondContact O-CB 3.29Å; Y511-W515 PolarHBondContact O-N 3.49Å; Y511-W515 WeakPolarHBondContact OH-CZ3 3.16Å
512	I	97.2	Very high	95.5	Very high	30 Å²	30	53.2 Å²	53.2	15%	0.154	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-45.6	178.5	-74.7	179.7	0	0	0	110.7	L484 A487 F508 M509 W515 F516 W544	L484-I512 HydrophobicContact CD2-CD1 3.68Å; L484-I512 HydrophobicContact CD2-CG1 4.32Å; A487-I512 HydrophobicContact CB-CG1 4.32Å; F508-I512 HydrophobicContact CD1-CD1 3.84Å; F508-I512 HydrophobicContact CD2-CD1 4.39Å; F508-I512 HydrophobicContact CE1-CD1 3.29Å; F508-I512 HydrophobicContact CE2-CD1 3.88Å; F508-I512 HydrophobicContact CG-CD1 4.37Å; F508-I512 HydrophobicContact CZ-CD1 3.33Å; F508-I512 HydrophobicContact CZ-CG1 4.45Å; F508-I512 WeakPolarHBondContact O-CG1 3.21Å; F508-I512 PolarHBondContact O-N 3.07Å; M509-I512 PolarHBondContact O-N 3.3Å; I512-W515 PolarHBondContact O-N 2.97Å; I512-F516 VanDerWaalsContact O-CB 3.29Å; I512-F516 WeakPolarHBondContact O-CB 2.81Å; I512-F516 PolarHBondContact O-N 3.16Å; I512-W544 HydrophobicContact CG2-CH2 3.96Å; I512-W544 HydrophobicContact CG2-CZ3 4.3Å
513	L	97.3	Very high	95.8	Very high	104 Å²	104	50.2 Å²	50.2	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-47.1	179.1	179.2	62.5	0	0	0	111.6	M509 C510 Y511 W515 F516 L517	M509-L513 WeakPolarHBondContact O-CB 3.48Å; M509-L513 PolarHBondContact O-N 3.28Å; C510-L513 PolarHBondContact O-N 3.47Å; Y511-L513 VanDerWaalsContact C-N 3.31Å; Y511-L513 PolarHBondContact O-N 2.92Å; L513-W515 VanDerWaalsContact C-N 3.33Å; L513-W515 PolarHBondContact O-N 3.09Å; L513-F516 PolarHBondContact O-N 2.9Å; L513-L517 HydrophobicContact CD1-CD1 4.39Å; L513-L517 HydrophobicContact CD1-CG 4.44Å; L513-L517 HydrophobicContact CG-CD1 4.28Å; L513-L517 VanDerWaalsContact O-CG 3.28Å; L513-L517 WeakPolarHBondContact O-CG 3.47Å; L513-L517 PolarHBondContact O-N 3.42Å
514	L	96.9	Very high	95.9	Very high	86 Å²	86	52 Å²	52	45%	0.45	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-43.7	178.1	-179	60.5	0	0	0	111.3	F57 C510 Y511 L517 L518	F57-L514 HydrophobicContact CD1-CD2 4.25Å; F57-L514 HydrophobicContact CE1-CB 4.36Å; F57-L514 HydrophobicContact CE1-CD2 3.61Å; F57-L514 HydrophobicContact CE1-CG 3.76Å; F57-L514 HydrophobicContact CE2-CD2 4.28Å; F57-L514 HydrophobicContact CZ-CB 4.41Å; F57-L514 HydrophobicContact CZ-CD2 3.63Å; F57-L514 HydrophobicContact CZ-CG 4.11Å; C510-L514 WeakPolarHBondContact O-CB 3.5Å; C510-L514 PolarHBondContact O-N 3.26Å; Y511-L514 PolarHBondContact O-N 3.46Å; L514-L517 PolarHBondContact O-N 3.44Å; L514-L518 HydrophobicContact CG-CD1 4.28Å; L514-L518 WeakPolarHBondContact O-CG 3.39Å; L514-L518 PolarHBondContact O-N 2.96Å
515	W	97.5	Very high	95.8	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-45.9	177.5	-169	-69.7	0	0	0	112.1	F57 T481 C483 Y511 I512 L513 L517 L518 D519 W544	F57-W515 HydrophobicContact CE1-CE3 4.28Å; T481-W515 WeakPolarHBondContact O-CH2 3.33Å; T481-W515 WeakPolarHBondContact O-CZ2 3.46Å; C483-W515 HydrophobicContact CB-CD2 3.89Å; C483-W515 HydrophobicContact CB-CG 3.83Å; C483-W515 HydrophobicContact CB-CZ2 4.48Å; Y511-W515 HydrophobicContact CE1-CD2 4.44Å; Y511-W515 AromaticContact CE1-CE3 3.64Å; Y511-W515 HydrophobicContact CE1-CE3 3.64Å; Y511-W515 HydrophobicContact CE1-CZ3 4.21Å; Y511-W515 AromaticContact CZ-CE3 3.88Å; Y511-W515 WeakPolarHBondContact O-CB 3.29Å; Y511-W515 PolarHBondContact O-N 3.49Å; Y511-W515 WeakPolarHBondContact OH-CZ3 3.16Å; I512-W515 PolarHBondContact O-N 2.97Å; L513-W515 VanDerWaalsContact C-N 3.33Å; L513-W515 PolarHBondContact O-N 3.09Å; W515-L517 VanDerWaalsContact C-N 3.31Å; W515-L517 PolarHBondContact O-N 2.98Å; W515-L518 PolarHBondContact O-N 3.35Å; W515-D519 PolarHBondContact NE1-OD2 3.12Å; W515-D519 PolarHBondContact O-N 3.47Å; W515-W544 AromaticContact CD1-CZ2 3.9Å
516	F	97.7	Very high	95.8	Very high	39 Å²	39	50.2 Å²	50.2	17%	0.171	25%	0.248	C	C	.	.	H	α-helix	trans	-56.6	-43.2	176.6	169.5	-100	0	0	0	112.3	I512 L513 Y520 Y540 L541 W544	I512-F516 VanDerWaalsContact O-CB 3.29Å; I512-F516 WeakPolarHBondContact O-CB 2.81Å; I512-F516 PolarHBondContact O-N 3.16Å; L513-F516 PolarHBondContact O-N 2.9Å; F516-Y520 PolarHBondContact O-N 3.4Å; F516-Y540 AromaticContact CD2-CE1 3.85Å; F516-Y540 HydrophobicContact CD2-CE1 3.85Å; F516-Y540 HydrophobicContact CE1-CE1 4.23Å; F516-Y540 AromaticContact CE2-CD1 3.66Å; F516-Y540 HydrophobicContact CE2-CD1 3.66Å; F516-Y540 AromaticContact CE2-CE1 3.17Å; F516-Y540 HydrophobicContact CE2-CE1 3.17Å; F516-Y540 AromaticContact CZ-CD1 3.67Å; F516-Y540 HydrophobicContact CZ-CD1 3.67Å; F516-Y540 AromaticContact CZ-CE1 3.4Å; F516-Y540 HydrophobicContact CZ-CE1 3.4Å; F516-Y540 VanDerWaalsContact CZ-CE1 3.4Å; F516-Y540 PolarHBondContact O-OH 2.98Å; F516-L541 HydrophobicContact CD2-CD1 4.49Å; F516-L541 HydrophobicContact CE2-CB 4.46Å; F516-L541 HydrophobicContact CE2-CD1 3.76Å; F516-L541 HydrophobicContact CZ-CB 4.43Å; F516-L541 HydrophobicContact CZ-CD1 3.94Å; F516-W544 HydrophobicContact CB-CH2 4.17Å; F516-W544 HydrophobicContact CB-CZ2 4.02Å; F516-W544 HydrophobicContact CB-CZ3 4.49Å; F516-W544 HydrophobicContact CD2-CB 4.4Å; F516-W544 AromaticContact CD2-CD2 3.58Å; F516-W544 HydrophobicContact CD2-CD2 3.58Å; F516-W544 AromaticContact CD2-CE2 3.98Å; F516-W544 AromaticContact CD2-CE3 3.72Å; F516-W544 HydrophobicContact CD2-CE3 3.72Å; F516-W544 AromaticContact CD2-CG 3.87Å; F516-W544 HydrophobicContact CD2-CG 3.87Å; F516-W544 HydrophobicContact CD2-CZ2 4.5Å; F516-W544 HydrophobicContact CD2-CZ3 4.26Å; F516-W544 HydrophobicContact CE2-CB 4.31Å; F516-W544 HydrophobicContact CE2-CD2 4.31Å; F516-W544 HydrophobicContact CE2-CE3 4.4Å; F516-W544 HydrophobicContact CE2-CG 4.25Å
517	L	97.4	Very high	95.6	Very high	84 Å²	84	46.8 Å²	46.8	44%	0.44	23%	0.227	S	C	.	.	H	α-helix	trans	-67	-41.8	177.5	-68.2	172.6	0	0	0	112	L513 L514 W515 Y520 I521	L513-L517 HydrophobicContact CD1-CD1 4.39Å; L513-L517 HydrophobicContact CD1-CG 4.44Å; L513-L517 HydrophobicContact CG-CD1 4.28Å; L513-L517 VanDerWaalsContact O-CG 3.28Å; L513-L517 WeakPolarHBondContact O-CG 3.47Å; L513-L517 PolarHBondContact O-N 3.42Å; L514-L517 PolarHBondContact O-N 3.44Å; W515-L517 VanDerWaalsContact C-N 3.31Å; W515-L517 PolarHBondContact O-N 2.98Å; L517-Y520 PolarHBondContact O-N 2.94Å; L517-I521 VanDerWaalsContact O-CG1 3.29Å; L517-I521 WeakPolarHBondContact O-CG1 3.43Å; L517-I521 PolarHBondContact O-N 3.42Å
518	L	97.9	Very high	95.4	Very high	22 Å²	22	44.8 Å²	44.8	12%	0.115	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-43.6	176.8	-70.9	172.3	0	0	0	112	F57 H60 I64 L514 W515 Y520 I521 L522	F57-L518 HydrophobicContact CD1-CD1 3.64Å; F57-L518 HydrophobicContact CE1-CD1 3.87Å; H60-L518 HydrophobicContact CB-CD1 4.42Å; H60-L518 VanDerWaalsContact CE1-CB 3.41Å; H60-L518 WeakPolarHBondContact CE1-CB 3.4Å; I64-L518 HydrophobicContact CD1-CB 4.31Å; I64-L518 HydrophobicContact CD1-CD2 3.87Å; L514-L518 HydrophobicContact CG-CD1 4.28Å; L514-L518 WeakPolarHBondContact O-CG 3.39Å; L514-L518 PolarHBondContact O-N 2.96Å; W515-L518 PolarHBondContact O-N 3.35Å; L518-Y520 VanDerWaalsContact C-N 3.25Å; L518-Y520 PolarHBondContact O-N 3.14Å; L518-I521 PolarHBondContact O-N 2.85Å; L518-L522 WeakPolarHBondContact O-CB 3.26Å; L518-L522 PolarHBondContact O-N 3.13Å
519	D	97.7	Very high	94.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.5	-36.1	175.5	-86.4	-19.1	0	0	0	111	H60 C378 K382 W515 L522 L523 W544	H60-D519 IonicContact CE1-OD1 3.74Å; H60-D519 PolarHBondContact CE1-OD1 3.36Å; H60-D519 PolarHBondContact NE2-N 2.86Å; H60-D519 IonicContact NE2-OD1 2.76Å; H60-D519 PolarHBondContact NE2-OD1 2.96Å; H60-D519 VanDerWaalsContact NE2-OD1 3.13Å; C378-D519 HydrophobicContact CB-CB 3.97Å; C378-D519 PolarHBondContact SG-O 3.42Å; K382-D519 IonicContact NZ-OD1 3.43Å; K382-D519 PolarHBondContact NZ-OD1 3.12Å; W515-D519 PolarHBondContact NE1-OD2 3.12Å; W515-D519 PolarHBondContact O-N 3.47Å; D519-L522 PolarHBondContact O-N 2.96Å; D519-L523 WeakPolarHBondContact O-CB 3.32Å; D519-L523 PolarHBondContact O-N 2.95Å; D519-W544 PolarHBondContact OD2-NE1 2.96Å
520	Y	97.2	Very high	93.9	Very high	63 Å²	63	48.8 Å²	48.8	25%	0.247	25%	0.246	C	C	.	.	H	α-helix	trans	-69	-43	176.1	-175.5	-107.4	0	0	0	111.8	F516 L517 L518 L522 L523 R524 Y540	F516-Y520 PolarHBondContact O-N 3.4Å; L517-Y520 PolarHBondContact O-N 2.94Å; L518-Y520 VanDerWaalsContact C-N 3.25Å; L518-Y520 PolarHBondContact O-N 3.14Å; Y520-L522 VanDerWaalsContact C-N 3.29Å; Y520-L522 PolarHBondContact O-N 3.03Å; Y520-L523 PolarHBondContact O-N 2.84Å; Y520-R524 HydrophobicContact CD1-CG 4.13Å; Y520-R524 HydrophobicContact CE1-CG 3.78Å; Y520-R524 HydrophobicContact CE2-CG 4.49Å; Y520-R524 WeakPolarHBondContact O-CG 3.34Å; Y520-R524 PolarHBondContact O-N 3.03Å; Y520-Y540 WeakPolarHBondContact CA-OH 3.3Å; Y520-Y540 AromaticContact CD2-CD1 3.55Å; Y520-Y540 HydrophobicContact CD2-CD1 3.55Å; Y520-Y540 HydrophobicContact CD2-CD2 4.17Å; Y520-Y540 AromaticContact CD2-CE1 3.46Å; Y520-Y540 HydrophobicContact CD2-CE1 3.46Å; Y520-Y540 VanDerWaalsContact CD2-CE1 3.46Å; Y520-Y540 HydrophobicContact CD2-CE2 4.11Å; Y520-Y540 AromaticContact CD2-CG 3.92Å; Y520-Y540 HydrophobicContact CD2-CG 3.92Å; Y520-Y540 AromaticContact CD2-CZ 3.78Å; Y520-Y540 HydrophobicContact CE2-CD1 4.15Å; Y520-Y540 HydrophobicContact CE2-CE1 4.47Å; Y520-Y540 HydrophobicContact CE2-CG 4.3Å; Y520-Y540 HydrophobicContact CG-CD1 4.39Å; Y520-Y540 AromaticContact CG-CE1 3.93Å; Y520-Y540 HydrophobicContact CG-CE1 3.93Å; Y520-Y540 PolarHBondContact N-OH 3.11Å
521	I	96.2	Very high	93.2	Very high	83 Å²	83	46.3 Å²	46.3	43%	0.426	23%	0.228	S	C	.	.	H	α-helix	trans	-58.9	-44.1	174.4	-69	164.3	0	0	0	110.1	I64 L517 L518 R524 Q525	I64-I521 HydrophobicContact CD1-CB 4.37Å; I64-I521 HydrophobicContact CD1-CG2 4.1Å; I64-I521 HydrophobicContact CG2-CG2 3.99Å; L517-I521 VanDerWaalsContact O-CG1 3.29Å; L517-I521 WeakPolarHBondContact O-CG1 3.43Å; L517-I521 PolarHBondContact O-N 3.42Å; L518-I521 PolarHBondContact O-N 2.85Å; I521-R524 PolarHBondContact O-N 3.12Å; I521-Q525 VanDerWaalsContact O-CB 3.31Å; I521-Q525 WeakPolarHBondContact O-CB 3.29Å; I521-Q525 PolarHBondContact O-N 3.02Å; I521-Q525 VanDerWaalsContact O-N 3.17Å
522	L	96.4	Very high	92.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-45.3	176.9	-174.6	63.3	0	0	0	111.5	I64 K382 L385 L518 D519 Y520 R524 Q525 I526	I64-L522 HydrophobicContact CG1-CB 3.98Å; I64-L522 HydrophobicContact CG1-CD1 3.89Å; I64-L522 HydrophobicContact CG1-CG 4.49Å; K382-L522 HydrophobicContact CB-CD2 3.73Å; L385-L522 HydrophobicContact CD1-CD1 4.09Å; L518-L522 WeakPolarHBondContact O-CB 3.26Å; L518-L522 PolarHBondContact O-N 3.13Å; D519-L522 PolarHBondContact O-N 2.96Å; Y520-L522 VanDerWaalsContact C-N 3.29Å; Y520-L522 PolarHBondContact O-N 3.03Å; L522-R524 PolarHBondContact O-N 3.09Å; L522-Q525 WeakPolarHBondContact O-CB 3.33Å; L522-Q525 PolarHBondContact O-N 3.3Å; L522-Q525 VanDerWaalsContact O-N 3.15Å; L522-I526 HydrophobicContact CD1-CD1 3.81Å; L522-I526 HydrophobicContact CD1-CG1 4.22Å; L522-I526 HydrophobicContact CG-CD1 3.94Å; L522-I526 WeakPolarHBondContact O-CG1 3.15Å; L522-I526 PolarHBondContact O-N 3.4Å; L522-I526 VanDerWaalsContact O-N 3.08Å
523	L	95.5	Very high	92	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.5	-48.8	175.9	-178.9	156.2	0	0	0	111.8	V374 D519 Y520 Q525 I526 Y527 I533 I535 Y540	V374-L523 HydrophobicContact CG2-CD1 4.15Å; D519-L523 WeakPolarHBondContact O-CB 3.32Å; D519-L523 PolarHBondContact O-N 2.95Å; Y520-L523 PolarHBondContact O-N 2.84Å; L523-Q525 PolarHBondContact O-N 2.81Å; L523-Q525 VanDerWaalsContact O-N 3.13Å; L523-I526 PolarHBondContact O-N 2.85Å; L523-Y527 WeakPolarHBondContact O-CB 3.43Å; L523-Y527 PolarHBondContact O-N 3.39Å; L523-I533 HydrophobicContact CD2-CD1 3.94Å; L523-I535 HydrophobicContact CD1-CD1 4.35Å; L523-Y540 HydrophobicContact CD1-CD2 3.89Å; L523-Y540 HydrophobicContact CD1-CE2 3.84Å
524	R	92.7	Very high	91.4	Very high	131 Å²	131	45.4 Å²	45.4	49%	0.494	23%	0.23	S	C	.	.	H	α-helix	trans	-56	-31	178.1	-73.7	-60	-55.5	-164.4	-4.2	112.8	Y520 I521 L522 I533	Y520-R524 HydrophobicContact CD1-CG 4.13Å; Y520-R524 HydrophobicContact CE1-CG 3.78Å; Y520-R524 HydrophobicContact CE2-CG 4.49Å; Y520-R524 WeakPolarHBondContact O-CG 3.34Å; Y520-R524 PolarHBondContact O-N 3.03Å; I521-R524 PolarHBondContact O-N 3.12Å; L522-R524 PolarHBondContact O-N 3.09Å; R524-I533 HydrophobicContact CG-CD1 4.45Å; R524-I533 VanDerWaalsContact NH1-CD1 3.27Å
525	Q	89.9	Confident	91.1	Very high	39 Å²	39	42.2 Å²	42.2	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-87.6	-34.6	-172	176	171.5	30.1	0	0	113.7	I64 K68 I521 L522 L523	I64-Q525 VanDerWaalsContact CA-OE1 3.31Å; I64-Q525 PolarHBondContact O-NE2 3.15Å; I64-Q525 PolarHBondContact O-OE1 3.09Å; I64-Q525 VanDerWaalsContact O-OE1 3.08Å; K68-Q525 VanDerWaalsContact CG-NE2 3.29Å; I521-Q525 VanDerWaalsContact O-CB 3.31Å; I521-Q525 WeakPolarHBondContact O-CB 3.29Å; I521-Q525 PolarHBondContact O-N 3.02Å; I521-Q525 VanDerWaalsContact O-N 3.17Å; L522-Q525 WeakPolarHBondContact O-CB 3.33Å; L522-Q525 PolarHBondContact O-N 3.3Å; L522-Q525 VanDerWaalsContact O-N 3.15Å; L523-Q525 PolarHBondContact O-N 2.81Å; L523-Q525 VanDerWaalsContact O-N 3.13Å
526	I	91.5	Very high	90.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-83.2	-26.6	177.4	-58.8	179.9	0	0	0	110.5	L71 Y72 Y313 A381 L385 L522 L523	L71-I526 HydrophobicContact CD1-CB 4.34Å; L71-I526 HydrophobicContact CD1-CD1 4.48Å; L71-I526 HydrophobicContact CD1-CG1 3.9Å; L71-I526 HydrophobicContact CD1-CG2 4Å; Y72-I526 WeakPolarHBondContact CE2-O 3.49Å; Y72-I526 PolarHBondContact OH-O 2.96Å; Y313-I526 HydrophobicContact CD2-CG2 3.63Å; Y313-I526 HydrophobicContact CE1-CG2 4.4Å; Y313-I526 HydrophobicContact CE2-CB 4.06Å; Y313-I526 HydrophobicContact CE2-CG2 3.32Å; Y313-I526 HydrophobicContact CG-CG2 4.27Å; A381-I526 HydrophobicContact CB-CD1 3.19Å; L385-I526 HydrophobicContact CD1-CD1 3.64Å; L385-I526 HydrophobicContact CD1-CG1 4.27Å; L522-I526 HydrophobicContact CD1-CD1 3.81Å; L522-I526 HydrophobicContact CD1-CG1 4.22Å; L522-I526 HydrophobicContact CG-CD1 3.94Å; L522-I526 WeakPolarHBondContact O-CG1 3.15Å; L522-I526 PolarHBondContact O-N 3.4Å; L522-I526 VanDerWaalsContact O-N 3.08Å; L523-I526 PolarHBondContact O-N 2.85Å
527	Y	91.6	Very high	90.6	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.027	26%	0.26	C	S	.	.	S	Bend	trans	-56.3	135.7	174	-157	-91.4	0	0	0	110.6	Y313 L373 L523 T531 P532 I533	Y313-Y527 WeakPolarHBondContact OH-CA 3.5Å; Y313-Y527 PolarHBondContact OH-N 3.04Å; L373-Y527 HydrophobicContact CD1-CD2 4.35Å; L373-Y527 HydrophobicContact CD1-CE2 4.39Å; L373-Y527 HydrophobicContact CD2-CE2 4.34Å; L523-Y527 WeakPolarHBondContact O-CB 3.43Å; L523-Y527 PolarHBondContact O-N 3.39Å; Y527-T531 VanDerWaalsContact CE1-O 3.32Å; Y527-T531 WeakPolarHBondContact CE1-O 3.4Å; Y527-T531 WeakPolarHBondContact CE1-OG1 3.38Å; Y527-P532 WeakPolarHBondContact CE1-O 3.23Å; Y527-P532 PolarHBondContact OH-O 2.82Å; Y527-I533 HydrophobicContact CD1-CD1 4.28Å; Y527-I533 HydrophobicContact CD1-CG1 3.6Å; Y527-I533 HydrophobicContact CD2-CD1 4.47Å; Y527-I533 HydrophobicContact CD2-CG1 4.28Å; Y527-I533 HydrophobicContact CE1-CB 4.48Å; Y527-I533 HydrophobicContact CE1-CG1 3.86Å; Y527-I533 HydrophobicContact CG-CD1 4.03Å; Y527-I533 HydrophobicContact CG-CG1 3.8Å
528	P	88	Confident	90.5	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.019	27%	0.27	C	S	.	.			trans	-59.3	132.3	-174.7	-25.5	35.4	0	0	0	111.6	Y72 P316 W445 E530 T531	Y72-P528 HydrophobicContact CE1-CB 4.39Å; Y72-P528 WeakPolarHBondContact OH-CG 2.9Å; P316-P528 HydrophobicContact CG-CB 4.5Å; P316-P528 HydrophobicContact CG-CG 3.56Å; W445-P528 HydrophobicContact CH2-CB 4.17Å; W445-P528 HydrophobicContact CH2-CG 3.76Å; W445-P528 HydrophobicContact CZ2-CB 3.98Å; W445-P528 HydrophobicContact CZ2-CG 3.39Å; P528-E530 PolarHBondContact O-N 2.95Å; P528-T531 PolarHBondContact O-N 3.47Å; P528-T531 PolarHBondContact O-OG1 3.39Å
529	P	83.3	Confident	90.4	Very high	101 Å²	101	55.3 Å²	55.3	66%	0.656	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-25.3	-171.1	25.6	-34.7	0	0	0	113.4	T531	P529-T531 VanDerWaalsContact C-N 3.31Å
530	E	78.5	Confident	90.3	Very high	143 Å²	143	55.5 Å²	55.5	67%	0.668	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.7	-179.6	-65	166.7	-171.7	0	0	112.9	P528	P528-E530 PolarHBondContact O-N 2.95Å
531	T	80.8	Confident	90.4	Very high	25 Å²	25	55.7 Å²	55.7	15%	0.153	28%	0.284	C	S	.	.	S	Bend	trans	-109.8	129.8	-175.1	52.5	0	0	0	0	110.7	P316 Y527 P528 P529	P316-T531 HydrophobicContact CB-CG2 4.36Å; Y527-T531 VanDerWaalsContact CE1-O 3.32Å; Y527-T531 WeakPolarHBondContact CE1-O 3.4Å; Y527-T531 WeakPolarHBondContact CE1-OG1 3.38Å; P528-T531 PolarHBondContact O-N 3.47Å; P528-T531 PolarHBondContact O-OG1 3.39Å; P529-T531 VanDerWaalsContact C-N 3.31Å
532	P	82.7	Confident	90.4	Very high	72 Å²	72	55 Å²	55	47%	0.468	28%	0.284	S	S	.	.			trans	-65.1	147.8	170.6	28.8	-33.3	0	0	0	109.9	L321 Y527 C534	L321-P532 HydrophobicContact CD1-CG 4.25Å; Y527-P532 WeakPolarHBondContact CE1-O 3.23Å; Y527-P532 PolarHBondContact OH-O 2.82Å; P532-C534 PolarHBondContact O-N 3.4Å
533	I	86.1	Confident	90.4	Very high	33 Å²	33	55 Å²	55	17%	0.169	28%	0.284	C	S	.	.			trans	-72.3	122.8	174.9	-61.2	-164	0	0	0	108.8	L523 R524 Y527 I535	L523-I533 HydrophobicContact CD2-CD1 3.94Å; R524-I533 HydrophobicContact CG-CD1 4.45Å; R524-I533 VanDerWaalsContact NH1-CD1 3.27Å; Y527-I533 HydrophobicContact CD1-CD1 4.28Å; Y527-I533 HydrophobicContact CD1-CG1 3.6Å; Y527-I533 HydrophobicContact CD2-CD1 4.47Å; Y527-I533 HydrophobicContact CD2-CG1 4.28Å; Y527-I533 HydrophobicContact CE1-CB 4.48Å; Y527-I533 HydrophobicContact CE1-CG1 3.86Å; Y527-I533 HydrophobicContact CG-CD1 4.03Å; Y527-I533 HydrophobicContact CG-CG1 3.8Å; I533-I535 HydrophobicContact CG2-CB 4.5Å; I533-I535 HydrophobicContact CG2-CG1 3.5Å; I533-I535 VanDerWaalsContact CG2-CG1 3.5Å
534	C	83.9	Confident	90.5	Very high	18 Å²	18	55.4 Å²	55.4	12%	0.122	29%	0.285	C	S	.	.			trans	-89	-2.3	-176.2	61.2	0	0	0	0	114.3	I320 P532	I320-C534 HydrophobicContact CD1-CB 3.95Å; P532-C534 PolarHBondContact O-N 3.4Å
535	I	89.7	Confident	90.7	Very high	19 Å²	19	52.8 Å²	52.8	10%	0.097	28%	0.28	C	S	.	.	S	Bend	trans	-99.1	141.5	179.2	64.5	166	0	0	0	111.6	W369 V370 L373 L523 I533 Y540	W369-I535 HydrophobicContact CZ3-CG2 3.97Å; V370-I535 HydrophobicContact CG1-CG2 4.12Å; V370-I535 HydrophobicContact CG2-CG2 3.91Å; L373-I535 HydrophobicContact CD2-CD1 3.99Å; L373-I535 HydrophobicContact CD2-CG1 4.47Å; L373-I535 HydrophobicContact CD2-CG2 4.2Å; L523-I535 HydrophobicContact CD1-CD1 4.35Å; I533-I535 HydrophobicContact CG2-CB 4.5Å; I533-I535 HydrophobicContact CG2-CG1 3.5Å; I533-I535 VanDerWaalsContact CG2-CG1 3.5Å; I535-Y540 HydrophobicContact CD1-CD2 4.4Å
536	T	92.1	Very high	91	Very high	75 Å²	75	53.9 Å²	53.9	46%	0.46	29%	0.285	S	S	.	.			trans	-76.5	161.4	172.8	67.4	0	0	0	0	111.4	L538 E539 Y540	T536-L538 VanDerWaalsContact C-N 3.26Å; T536-L538 PolarHBondContact O-N 3.48Å; T536-E539 WeakPolarHBondContact CB-OE2 3.42Å; T536-E539 WeakPolarHBondContact CG2-OE2 3.46Å; T536-E539 PolarHBondContact N-OE2 2.87Å; T536-E539 PolarHBondContact O-N 3.41Å; T536-E539 WeakPolarHBondContact OG1-CB 3.19Å; T536-E539 VanDerWaalsContact OG1-CD 3.26Å; T536-E539 WeakPolarHBondContact OG1-CG 3.37Å; T536-E539 PolarHBondContact OG1-N 3.05Å; T536-E539 VanDerWaalsContact OG1-N 3.15Å; T536-E539 PolarHBondContact OG1-OE2 3.4Å; T536-Y540 PolarHBondContact O-N 3.04Å
537	K	94.3	Very high	91.1	Very high	166 Å²	166	54.6 Å²	54.6	72%	0.722	29%	0.29	S	S	*	.	H	α-helix	trans	-63.7	-32.4	175.4	-65.4	179.4	-178.1	175.6	0	112.5	L541	K537-L541 WeakPolarHBondContact O-CB 2.88Å; K537-L541 PolarHBondContact O-N 3.44Å
538	L	95.4	Very high	91.3	Very high	123 Å²	123	54.7 Å²	54.7	64%	0.644	29%	0.29	S	S	*	.	H	α-helix	trans	-70.7	-45.1	177.9	-177.6	63.6	0	0	0	110.9	T536 Y540 L541 V542	T536-L538 VanDerWaalsContact C-N 3.26Å; T536-L538 PolarHBondContact O-N 3.48Å; L538-Y540 VanDerWaalsContact C-N 3.32Å; L538-Y540 PolarHBondContact O-N 3.01Å; L538-L541 WeakPolarHBondContact O-CB 3.5Å; L538-L541 PolarHBondContact O-N 3.48Å; L538-V542 HydrophobicContact CD1-CG2 4.47Å; L538-V542 WeakPolarHBondContact O-CG2 3.1Å; L538-V542 PolarHBondContact O-N 3.3Å
539	E	95	Very high	91.6	Very high	61 Å²	61	59.7 Å²	59.7	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-42.8	174.7	-72.9	165.3	143.2	0	0	111.6	V370 T536 V542 A543	V370-E539 HydrophobicContact CG1-CB 4.26Å; T536-E539 WeakPolarHBondContact CB-OE2 3.42Å; T536-E539 WeakPolarHBondContact CG2-OE2 3.46Å; T536-E539 PolarHBondContact N-OE2 2.87Å; T536-E539 PolarHBondContact O-N 3.41Å; T536-E539 WeakPolarHBondContact OG1-CB 3.19Å; T536-E539 VanDerWaalsContact OG1-CD 3.26Å; T536-E539 WeakPolarHBondContact OG1-CG 3.37Å; T536-E539 PolarHBondContact OG1-N 3.05Å; T536-E539 VanDerWaalsContact OG1-N 3.15Å; T536-E539 PolarHBondContact OG1-OE2 3.4Å; E539-V542 PolarHBondContact O-N 3.42Å; E539-A543 WeakPolarHBondContact O-CB 3.08Å; E539-A543 PolarHBondContact O-N 2.93Å
540	Y	96.5	Very high	92.1	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-57.4	-48.6	172.8	172.9	-108	0	0	0	111.7	V374 F516 Y520 L523 I535 T536 L538 V542 A543 W544	V374-Y540 HydrophobicContact CG1-CE2 4.25Å; V374-Y540 HydrophobicContact CG2-CD2 3.76Å; V374-Y540 HydrophobicContact CG2-CE2 4.14Å; F516-Y540 AromaticContact CD2-CE1 3.85Å; F516-Y540 HydrophobicContact CD2-CE1 3.85Å; F516-Y540 HydrophobicContact CE1-CE1 4.23Å; F516-Y540 AromaticContact CE2-CD1 3.66Å; F516-Y540 HydrophobicContact CE2-CD1 3.66Å; F516-Y540 AromaticContact CE2-CE1 3.17Å; F516-Y540 HydrophobicContact CE2-CE1 3.17Å; F516-Y540 AromaticContact CZ-CD1 3.67Å; F516-Y540 HydrophobicContact CZ-CD1 3.67Å; F516-Y540 AromaticContact CZ-CE1 3.4Å; F516-Y540 HydrophobicContact CZ-CE1 3.4Å; F516-Y540 VanDerWaalsContact CZ-CE1 3.4Å; F516-Y540 PolarHBondContact O-OH 2.98Å; Y520-Y540 WeakPolarHBondContact CA-OH 3.3Å; Y520-Y540 AromaticContact CD2-CD1 3.55Å; Y520-Y540 HydrophobicContact CD2-CD1 3.55Å; Y520-Y540 HydrophobicContact CD2-CD2 4.17Å; Y520-Y540 AromaticContact CD2-CE1 3.46Å; Y520-Y540 HydrophobicContact CD2-CE1 3.46Å; Y520-Y540 VanDerWaalsContact CD2-CE1 3.46Å; Y520-Y540 HydrophobicContact CD2-CE2 4.11Å; Y520-Y540 AromaticContact CD2-CG 3.92Å; Y520-Y540 HydrophobicContact CD2-CG 3.92Å; Y520-Y540 AromaticContact CD2-CZ 3.78Å; Y520-Y540 HydrophobicContact CE2-CD1 4.15Å; Y520-Y540 HydrophobicContact CE2-CE1 4.47Å; Y520-Y540 HydrophobicContact CE2-CG 4.3Å; Y520-Y540 HydrophobicContact CG-CD1 4.39Å; Y520-Y540 AromaticContact CG-CE1 3.93Å; Y520-Y540 HydrophobicContact CG-CE1 3.93Å; Y520-Y540 PolarHBondContact N-OH 3.11Å; L523-Y540 HydrophobicContact CD1-CD2 3.89Å; L523-Y540 HydrophobicContact CD1-CE2 3.84Å; I535-Y540 HydrophobicContact CD1-CD2 4.4Å; T536-Y540 PolarHBondContact O-N 3.04Å; L538-Y540 VanDerWaalsContact C-N 3.32Å; L538-Y540 PolarHBondContact O-N 3.01Å; Y540-V542 PolarHBondContact O-N 3.37Å; Y540-A543 PolarHBondContact O-N 3.41Å; Y540-W544 HydrophobicContact CE2-CB 4.38Å; Y540-W544 WeakPolarHBondContact O-CB 3.45Å; Y540-W544 PolarHBondContact O-N 2.86Å
541	L	97.5	Very high	92.8	Very high	68 Å²	68	51.5 Å²	51.5	36%	0.356	27%	0.273	S	S	.	.	H	α-helix	trans	-57.7	-50.5	179.2	175.1	63.8	0	0	0	111.7	F516 K537 L538 W544 L545	F516-L541 HydrophobicContact CD2-CD1 4.49Å; F516-L541 HydrophobicContact CE2-CB 4.46Å; F516-L541 HydrophobicContact CE2-CD1 3.76Å; F516-L541 HydrophobicContact CZ-CB 4.43Å; F516-L541 HydrophobicContact CZ-CD1 3.94Å; K537-L541 WeakPolarHBondContact O-CB 2.88Å; K537-L541 PolarHBondContact O-N 3.44Å; L538-L541 WeakPolarHBondContact O-CB 3.5Å; L538-L541 PolarHBondContact O-N 3.48Å; L541-W544 PolarHBondContact O-N 3.36Å; L541-L545 HydrophobicContact CD1-CD1 4.07Å; L541-L545 HydrophobicContact CD1-CG 4.28Å; L541-L545 HydrophobicContact CG-CD1 4.16Å; L541-L545 WeakPolarHBondContact O-CB 3.18Å; L541-L545 WeakPolarHBondContact O-CG 2.74Å; L541-L545 PolarHBondContact O-N 3.34Å
542	V	97.5	Very high	93.3	Very high	69 Å²	69	55.3 Å²	55.3	42%	0.418	29%	0.288	S	S	.	.	H	α-helix	trans	-64.8	-43.7	-178.8	179.4	0	0	0	0	110.9	F367 L538 E539 Y540 L545 F546	F367-V542 HydrophobicContact CE2-CB 4.37Å; F367-V542 HydrophobicContact CE2-CG1 4.03Å; F367-V542 HydrophobicContact CZ-CG1 3.78Å; L538-V542 HydrophobicContact CD1-CG2 4.47Å; L538-V542 WeakPolarHBondContact O-CG2 3.1Å; L538-V542 PolarHBondContact O-N 3.3Å; E539-V542 PolarHBondContact O-N 3.42Å; Y540-V542 PolarHBondContact O-N 3.37Å; V542-L545 PolarHBondContact O-N 3.18Å; V542-F546 WeakPolarHBondContact O-CB 3.38Å; V542-F546 PolarHBondContact O-N 3.19Å
543	A	96.7	Very high	93.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-35.1	178.3	0	0	0	0	0	113.2	F367 V370 V371 V374 E539 Y540 S547	F367-A543 HydrophobicContact CE2-CB 4.15Å; F367-A543 HydrophobicContact CZ-CB 4.41Å; V370-A543 HydrophobicContact CG1-CB 3.79Å; V371-A543 HydrophobicContact CG2-CB 3.98Å; V374-A543 HydrophobicContact CB-CB 4.29Å; V374-A543 HydrophobicContact CG2-CB 3.81Å; E539-A543 WeakPolarHBondContact O-CB 3.08Å; E539-A543 PolarHBondContact O-N 2.93Å; Y540-A543 PolarHBondContact O-N 3.41Å; A543-S547 WeakPolarHBondContact O-CB 3.47Å; A543-S547 PolarHBondContact O-N 3.37Å; A543-S547 PolarHBondContact O-OG 3.14Å
544	W	97.8	Very high	94.2	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.027	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-47.2	175	-177.7	91.9	0	0	0	111.3	V374 C483 I512 W515 F516 D519 Y540 L541 F546 S547 E548	V374-W544 HydrophobicContact CG1-CB 4.11Å; C483-W544 HydrophobicContact CB-CZ2 4.44Å; I512-W544 HydrophobicContact CG2-CH2 3.96Å; I512-W544 HydrophobicContact CG2-CZ3 4.3Å; W515-W544 AromaticContact CD1-CZ2 3.9Å; F516-W544 HydrophobicContact CB-CH2 4.17Å; F516-W544 HydrophobicContact CB-CZ2 4.02Å; F516-W544 HydrophobicContact CB-CZ3 4.49Å; F516-W544 HydrophobicContact CD2-CB 4.4Å; F516-W544 AromaticContact CD2-CD2 3.58Å; F516-W544 HydrophobicContact CD2-CD2 3.58Å; F516-W544 AromaticContact CD2-CE2 3.98Å; F516-W544 AromaticContact CD2-CE3 3.72Å; F516-W544 HydrophobicContact CD2-CE3 3.72Å; F516-W544 AromaticContact CD2-CG 3.87Å; F516-W544 HydrophobicContact CD2-CG 3.87Å; F516-W544 HydrophobicContact CD2-CZ2 4.5Å; F516-W544 HydrophobicContact CD2-CZ3 4.26Å; F516-W544 HydrophobicContact CE2-CB 4.31Å; F516-W544 HydrophobicContact CE2-CD2 4.31Å; F516-W544 HydrophobicContact CE2-CE3 4.4Å; F516-W544 HydrophobicContact CE2-CG 4.25Å; D519-W544 PolarHBondContact OD2-NE1 2.96Å; Y540-W544 HydrophobicContact CE2-CB 4.38Å; Y540-W544 WeakPolarHBondContact O-CB 3.45Å; Y540-W544 PolarHBondContact O-N 2.86Å; L541-W544 PolarHBondContact O-N 3.36Å; W544-F546 VanDerWaalsContact C-N 3.31Å; W544-F546 PolarHBondContact O-N 3.23Å; W544-S547 PolarHBondContact O-N 3.29Å; W544-S547 VanDerWaalsContact O-N 3.12Å; W544-E548 HydrophobicContact CD2-CG 4.21Å; W544-E548 HydrophobicContact CH2-CG 4.18Å; W544-E548 HydrophobicContact CZ2-CG 3.76Å; W544-E548 PolarHBondContact O-N 3.3Å
545	L	96.7	Very high	94.6	Very high	76 Å²	76	54.1 Å²	54.1	40%	0.398	28%	0.279	S	S	.	.	H	α-helix	trans	-57.5	-46.2	174.7	-74.5	170.7	0	0	0	111	L541 V542 S547 E548 L549	L541-L545 HydrophobicContact CD1-CD1 4.07Å; L541-L545 HydrophobicContact CD1-CG 4.28Å; L541-L545 HydrophobicContact CG-CD1 4.16Å; L541-L545 WeakPolarHBondContact O-CB 3.18Å; L541-L545 WeakPolarHBondContact O-CG 2.74Å; L541-L545 PolarHBondContact O-N 3.34Å; V542-L545 PolarHBondContact O-N 3.18Å; L545-S547 VanDerWaalsContact C-N 3.33Å; L545-S547 PolarHBondContact O-N 2.89Å; L545-E548 PolarHBondContact O-N 3.35Å; L545-L549 VanDerWaalsContact O-CB 3.23Å; L545-L549 WeakPolarHBondContact O-CB 3.38Å; L545-L549 WeakPolarHBondContact O-CD1 3.47Å; L545-L549 WeakPolarHBondContact O-CG 3.19Å; L545-L549 PolarHBondContact O-N 2.89Å
546	F	95.2	Very high	94.7	Very high	63 Å²	63	57 Å²	57	28%	0.276	29%	0.294	S	S	.	.	H	α-helix	trans	-57.6	-45.5	175.4	-178	-89.9	0	0	0	112	V371 L453 V542 W544 L550	V371-F546 HydrophobicContact CB-CD1 4.44Å; V371-F546 HydrophobicContact CG1-CD1 3.55Å; V371-F546 HydrophobicContact CG1-CE1 3.67Å; V371-F546 HydrophobicContact CG2-CD1 3.95Å; V371-F546 HydrophobicContact CG2-CE1 4.37Å; V371-F546 HydrophobicContact CG2-CG 4.43Å; L453-F546 HydrophobicContact CB-CZ 4.3Å; L453-F546 HydrophobicContact CD1-CE2 4.12Å; L453-F546 HydrophobicContact CD1-CZ 3.91Å; L453-F546 HydrophobicContact CD2-CE1 4.06Å; L453-F546 HydrophobicContact CD2-CZ 4.11Å; L453-F546 HydrophobicContact CG-CZ 4.35Å; V542-F546 WeakPolarHBondContact O-CB 3.38Å; V542-F546 PolarHBondContact O-N 3.19Å; W544-F546 VanDerWaalsContact C-N 3.31Å; W544-F546 PolarHBondContact O-N 3.23Å; F546-L550 HydrophobicContact CD1-CD1 3.81Å; F546-L550 HydrophobicContact CD2-CD1 4.01Å; F546-L550 HydrophobicContact CE1-CD1 3.3Å; F546-L550 HydrophobicContact CE2-CD1 3.53Å; F546-L550 HydrophobicContact CG-CD1 4.15Å; F546-L550 HydrophobicContact CZ-CD1 3.16Å; F546-L550 HydrophobicContact CZ-CG 4.47Å; F546-L550 WeakPolarHBondContact O-CB 3.33Å; F546-L550 WeakPolarHBondContact O-CG 3.39Å; F546-L550 PolarHBondContact O-N 2.97Å; F546-L550 VanDerWaalsContact O-N 3.16Å
547	S	94.7	Very high	94.8	Very high	15 Å²	15	55.2 Å²	55.2	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-41.9	-178.5	-62.4	0	0	0	0	112.8	A543 W544 L545 A551	A543-S547 WeakPolarHBondContact O-CB 3.47Å; A543-S547 PolarHBondContact O-N 3.37Å; A543-S547 PolarHBondContact O-OG 3.14Å; W544-S547 PolarHBondContact O-N 3.29Å; W544-S547 VanDerWaalsContact O-N 3.12Å; L545-S547 VanDerWaalsContact C-N 3.33Å; L545-S547 PolarHBondContact O-N 2.89Å; S547-A551 PolarHBondContact O-N 3Å
548	E	95.3	Very high	94.7	Very high	9 Å²	9	47.3 Å²	47.3	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-79.3	-37.2	-179.1	-70.9	-60	124	0	0	112.7	R482 C483 L484 W544 L545 L550 A551	R482-E548 IonicContact NH1-OE1 2.98Å; C483-E548 HydrophobicContact CB-CG 4.33Å; C483-E548 WeakPolarHBondContact CB-OE2 3.45Å; C483-E548 PolarHBondContact N-OE2 3.39Å; C483-E548 VanDerWaalsContact N-OE2 3.11Å; L484-E548 HydrophobicContact CD1-CB 4.48Å; W544-E548 HydrophobicContact CD2-CG 4.21Å; W544-E548 HydrophobicContact CH2-CG 4.18Å; W544-E548 HydrophobicContact CZ2-CG 3.76Å; W544-E548 PolarHBondContact O-N 3.3Å; L545-E548 PolarHBondContact O-N 3.35Å; E548-L550 VanDerWaalsContact C-N 3.34Å; E548-L550 PolarHBondContact O-N 3.47Å; E548-A551 PolarHBondContact O-N 3.43Å
549	L	94.8	Very high	94.5	Very high	107 Å²	107	43.5 Å²	43.5	56%	0.56	24%	0.235	S	C	*	.	H	α-helix	trans	-66.4	-35	177.5	-72.3	170.6	0	0	0	112.5	L484 L545 P553	L484-L549 HydrophobicContact CD1-CD2 3.83Å; L484-L549 HydrophobicContact CD1-CG 4.47Å; L545-L549 VanDerWaalsContact O-CB 3.23Å; L545-L549 WeakPolarHBondContact O-CB 3.38Å; L545-L549 WeakPolarHBondContact O-CD1 3.47Å; L545-L549 WeakPolarHBondContact O-CG 3.19Å; L545-L549 PolarHBondContact O-N 2.89Å; L549-P553 WeakPolarHBondContact O-CD 3.34Å; L549-P553 WeakPolarHBondContact O-CG 3.29Å
550	L	92.7	Very high	94.2	Very high	61 Å²	61	47.9 Å²	47.9	32%	0.319	25%	0.253	S	S	.	.	H	α-helix	trans	-84	-17.6	179.3	-69.9	-178.8	0	0	0	114.1	F546 E548 F552 L554	F546-L550 HydrophobicContact CD1-CD1 3.81Å; F546-L550 HydrophobicContact CD2-CD1 4.01Å; F546-L550 HydrophobicContact CE1-CD1 3.3Å; F546-L550 HydrophobicContact CE2-CD1 3.53Å; F546-L550 HydrophobicContact CG-CD1 4.15Å; F546-L550 HydrophobicContact CZ-CD1 3.16Å; F546-L550 HydrophobicContact CZ-CG 4.47Å; F546-L550 WeakPolarHBondContact O-CB 3.33Å; F546-L550 WeakPolarHBondContact O-CG 3.39Å; F546-L550 PolarHBondContact O-N 2.97Å; F546-L550 VanDerWaalsContact O-N 3.16Å; E548-L550 VanDerWaalsContact C-N 3.34Å; E548-L550 PolarHBondContact O-N 3.47Å; L550-F552 PolarHBondContact O-N 3.05Å; L550-L554 WeakPolarHBondContact O-CB 3.46Å; L550-L554 PolarHBondContact O-N 2.75Å
551	A	93.2	Very high	93.8	Very high	12 Å²	12	54.1 Å²	54.1	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-48.3	-174.6	0	0	0	0	0	112.5	R482 S547 E548 H555	R482-A551 HydrophobicContact CG-CB 4.35Å; S547-A551 PolarHBondContact O-N 3Å; E548-A551 PolarHBondContact O-N 3.43Å; A551-H555 WeakPolarHBondContact O-CB 3.28Å; A551-H555 PolarHBondContact O-N 2.71Å; A551-H555 VanDerWaalsContact O-N 3.07Å
552	F	92.8	Very high	93	Very high	105 Å²	105	55.4 Å²	55.4	46%	0.461	28%	0.281	S	S	.	.	H	α-helix	trans	-72.6	-47.9	-177.2	-177.4	-106	0	0	0	113.3	P479 P485 L550 L554 H555 L556	P479-F552 HydrophobicContact CB-CD2 4.1Å; P479-F552 HydrophobicContact CB-CE2 4.26Å; P485-F552 HydrophobicContact CG-CB 4.4Å; P485-F552 HydrophobicContact CG-CD2 4.06Å; P485-F552 HydrophobicContact CG-CG 4.41Å; L550-F552 PolarHBondContact O-N 3.05Å; F552-L554 VanDerWaalsContact C-N 3.28Å; F552-L554 PolarHBondContact O-N 3.26Å; F552-H555 WeakPolarHBondContact O-CB 3.2Å; F552-H555 PolarHBondContact O-N 3.27Å; F552-H555 VanDerWaalsContact O-N 3.15Å; F552-L556 PolarHBondContact O-N 3.1Å
553	P	93.6	Very high	92.6	Very high	61 Å²	61	55.9 Å²	55.9	40%	0.396	28%	0.278	S	S	.	.	H	α-helix	trans	-57.3	-38.6	173.2	-26.7	35.4	0	0	0	113.5	L549 L556 T557	L549-P553 WeakPolarHBondContact O-CD 3.34Å; L549-P553 WeakPolarHBondContact O-CG 3.29Å; P553-L556 PolarHBondContact O-N 2.95Å; P553-T557 WeakPolarHBondContact O-CB 3.32Å; P553-T557 PolarHBondContact O-N 3.14Å; P553-T557 PolarHBondContact O-OG1 3.44Å
554	L	92.6	Very high	92.3	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-44.3	176.3	-174.7	153.7	0	0	0	111.3	Y457 I460 L461 S464 L550 F552 L556 T557 A558	Y457-L554 HydrophobicContact CD2-CD1 3.83Å; Y457-L554 HydrophobicContact CE2-CB 4.21Å; Y457-L554 HydrophobicContact CE2-CD1 3.88Å; Y457-L554 HydrophobicContact CE2-CG 4.14Å; I460-L554 HydrophobicContact CB-CD1 3.77Å; I460-L554 HydrophobicContact CG2-CD1 3.61Å; I460-L554 HydrophobicContact CG2-CD2 3.9Å; I460-L554 HydrophobicContact CG2-CG 4.45Å; L461-L554 HydrophobicContact CB-CG 4.47Å; L461-L554 HydrophobicContact CD1-CG 4.45Å; S464-L554 WeakPolarHBondContact OG-CD2 3.38Å; L550-L554 WeakPolarHBondContact O-CB 3.46Å; L550-L554 PolarHBondContact O-N 2.75Å; F552-L554 VanDerWaalsContact C-N 3.28Å; F552-L554 PolarHBondContact O-N 3.26Å; L554-L556 VanDerWaalsContact C-N 3.32Å; L554-L556 PolarHBondContact O-N 3.44Å; L554-T557 PolarHBondContact O-N 3.36Å; L554-A558 WeakPolarHBondContact O-CB 2.96Å; L554-A558 PolarHBondContact O-N 3.45Å
555	H	93	Very high	91.8	Very high	23 Å²	23	64.6 Å²	64.6	11%	0.106	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-45.1	176.4	-171.5	84	0	0	0	111.8	F475 P479 A551 F552 A558 A559	F475-H555 AromaticContact CD1-CE1 3.44Å; F475-H555 VanDerWaalsContact CD1-CE1 3.44Å; F475-H555 WeakPolarHBondContact CD1-CE1 3Å; F475-H555 AromaticContact CD1-NE2 3.63Å; F475-H555 AromaticContact CD2-CE1 3.65Å; F475-H555 AromaticContact CE1-CE1 3.22Å; F475-H555 WeakPolarHBondContact CE1-CE1 3.45Å; F475-H555 AromaticContact CE1-NE2 3.24Å; F475-H555 WeakPolarHBondContact CE1-NE2 3.34Å; F475-H555 AromaticContact CE2-CE1 3.44Å; F475-H555 VanDerWaalsContact CE2-CE1 3.44Å; F475-H555 WeakPolarHBondContact CE2-CE1 3.37Å; F475-H555 AromaticContact CE2-ND1 3.64Å; F475-H555 AromaticContact CG-CE1 3.66Å; F475-H555 AromaticContact CZ-CE1 3.23Å; F475-H555 WeakPolarHBondContact CZ-CE1 3.37Å; F475-H555 AromaticContact CZ-ND1 3.56Å; F475-H555 AromaticContact CZ-NE2 3.6Å; F475-H555 PolarHBondContact O-CE1 2.97Å; F475-H555 PolarHBondContact O-NE2 2.75Å; P479-H555 WeakPolarHBondContact CG-CD2 3.42Å; P479-H555 WeakPolarHBondContact CG-NE2 3.33Å; A551-H555 WeakPolarHBondContact O-CB 3.28Å; A551-H555 PolarHBondContact O-N 2.71Å; A551-H555 VanDerWaalsContact O-N 3.07Å; F552-H555 WeakPolarHBondContact O-CB 3.2Å; F552-H555 PolarHBondContact O-N 3.27Å; F552-H555 VanDerWaalsContact O-N 3.15Å; H555-A558 PolarHBondContact O-N 2.91Å; H555-A559 PolarHBondContact O-N 2.91Å
556	L	92.5	Very high	91.2	Very high	80 Å²	80	63.7 Å²	63.7	42%	0.419	30%	0.303	S	S	.	.	H	α-helix	trans	-64.4	-43.1	176.9	-171.9	65.3	0	0	0	111.9	F552 P553 L554 A558 A559 F560	F552-L556 PolarHBondContact O-N 3.1Å; P553-L556 PolarHBondContact O-N 2.95Å; L554-L556 VanDerWaalsContact C-N 3.32Å; L554-L556 PolarHBondContact O-N 3.44Å; L556-A558 VanDerWaalsContact C-N 3.32Å; L556-A558 PolarHBondContact O-N 2.97Å; L556-A559 WeakPolarHBondContact O-CB 3.48Å; L556-A559 PolarHBondContact O-N 3.18Å; L556-A559 VanDerWaalsContact O-N 3.1Å; L556-F560 HydrophobicContact CD1-CD2 4.12Å; L556-F560 HydrophobicContact CD1-CE2 3.43Å; L556-F560 VanDerWaalsContact CD1-CE2 3.43Å; L556-F560 HydrophobicContact CD1-CZ 4.21Å; L556-F560 HydrophobicContact CD2-CE2 4.14Å; L556-F560 HydrophobicContact CG-CD2 3.93Å; L556-F560 HydrophobicContact CG-CE2 3.54Å; L556-F560 WeakPolarHBondContact O-CD2 3.39Å; L556-F560 PolarHBondContact O-N 3.44Å
557	T	94	Very high	90.6	Very high	36 Å²	36	68 Å²	68	22%	0.221	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-43.6	176.6	-54.9	0	0	0	0	111	L461 P553 L554 A559 F560 F561	L461-T557 HydrophobicContact CD1-CG2 3.87Å; L461-T557 HydrophobicContact CD2-CG2 4.38Å; P553-T557 WeakPolarHBondContact O-CB 3.32Å; P553-T557 PolarHBondContact O-N 3.14Å; P553-T557 PolarHBondContact O-OG1 3.44Å; L554-T557 PolarHBondContact O-N 3.36Å; T557-A559 PolarHBondContact O-N 3.41Å; T557-F560 PolarHBondContact O-N 2.8Å; T557-F561 HydrophobicContact CG2-CD2 3.64Å; T557-F561 HydrophobicContact CG2-CE2 4.04Å; T557-F561 WeakPolarHBondContact O-CD2 3.34Å; T557-F561 PolarHBondContact O-N 2.75Å
558	A	92.2	Very high	90	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-29.8	176.7	0	0	0	0	0	113.1	L461 Q465 L468 F475 L554 H555 L556	L461-A558 HydrophobicContact CD1-CB 3.93Å; Q465-A558 HydrophobicContact CG-CB 3.94Å; L468-A558 WeakPolarHBondContact CD2-O 3.33Å; F475-A558 HydrophobicContact CE2-CB 4.39Å; F475-A558 HydrophobicContact CZ-CB 4.1Å; L554-A558 WeakPolarHBondContact O-CB 2.96Å; L554-A558 PolarHBondContact O-N 3.45Å; H555-A558 PolarHBondContact O-N 2.91Å; L556-A558 VanDerWaalsContact C-N 3.32Å; L556-A558 PolarHBondContact O-N 2.97Å
559	A	90.5	Very high	89.7	Confident	44 Å²	44	78.2 Å²	78.2	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-72.1	-38.1	176.4	0	0	0	0	0	112.6	F475 H555 L556 T557	F475-A559 HydrophobicContact CE1-CB 4.36Å; H555-A559 PolarHBondContact O-N 2.91Å; L556-A559 WeakPolarHBondContact O-CB 3.48Å; L556-A559 PolarHBondContact O-N 3.18Å; L556-A559 VanDerWaalsContact O-N 3.1Å; T557-A559 PolarHBondContact O-N 3.41Å
560	F	89.1	Confident	89.6	Confident	153 Å²	153	78 Å²	78	67%	0.671	36%	0.359	S	S	*	.	H	α-helix	trans	-81.5	-36.4	-179.1	-72.2	-64.2	0	0	0	113.6	L556 T557	L556-F560 HydrophobicContact CD1-CD2 4.12Å; L556-F560 HydrophobicContact CD1-CE2 3.43Å; L556-F560 VanDerWaalsContact CD1-CE2 3.43Å; L556-F560 HydrophobicContact CD1-CZ 4.21Å; L556-F560 HydrophobicContact CD2-CE2 4.14Å; L556-F560 HydrophobicContact CG-CD2 3.93Å; L556-F560 HydrophobicContact CG-CE2 3.54Å; L556-F560 WeakPolarHBondContact O-CD2 3.39Å; L556-F560 PolarHBondContact O-N 3.44Å; T557-F560 PolarHBondContact O-N 2.8Å
561	F	86.8	Confident	89.6	Confident	134 Å²	134	75.4 Å²	75.4	59%	0.588	35%	0.345	S	S	*	.			trans	-102.5	113.3	-178.9	-63.7	-79.4	0	0	0	110.7	Q465 T557	Q465-F561 PolarHBondContact NE2-O 2.81Å; T557-F561 HydrophobicContact CG2-CD2 3.64Å; T557-F561 HydrophobicContact CG2-CE2 4.04Å; T557-F561 WeakPolarHBondContact O-CD2 3.34Å; T557-F561 PolarHBondContact O-N 2.75Å
562	R	82.6	Confident	89.5	Confident	95 Å²	95	80.9 Å²	80.9	36%	0.358	36%	0.363	S	S	.	.			trans	-96.7	-5	-177.5	-50.6	-167.2	83.2	174.9	5.7	114.5	W575	R562-W575 VanDerWaalsContact NH2-CZ3 3.26Å
563	E	89	Confident	89.4	Confident	78 Å²	78	76.1 Å²	76.1	36%	0.364	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.5	179	-60.7	-169.3	169.1	0	0	110.5	Q465 F571 R572 I582	Q465-E563 PolarHBondContact NE2-O 3.16Å; E563-F571 WeakPolarHBondContact CA-O 3.47Å; E563-R572 IonicContact OE1-NH2 2.87Å; E563-R572 PolarHBondContact OE1-NH2 3.39Å; E563-R572 VanDerWaalsContact OE1-NH2 3.15Å; E563-I582 HydrophobicContact CB-CD1 4.37Å; E563-I582 VanDerWaalsContact CD-CD1 3.47Å; E563-I582 HydrophobicContact CG-CD1 3.79Å; E563-I582 WeakPolarHBondContact OE1-CD1 3.49Å
564	V	89.9	Confident	89.3	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.5	178.3	171.5	0	0	0	0	109.2	R462 Q465 R570 F571 I573	R462-V564 HydrophobicContact CB-CG1 4.31Å; R462-V564 HydrophobicContact CG-CG1 3.61Å; Q465-V564 HydrophobicContact CB-CG2 3.76Å; V564-R570 WeakPolarHBondContact O-CA 3.42Å; V564-F571 PolarHBondContact N-O 3.15Å; V564-F571 PolarHBondContact O-N 3.01Å; V564-I573 HydrophobicContact CB-CD1 4.18Å; V564-I573 HydrophobicContact CG2-CD1 3.35Å; V564-I573 HydrophobicContact CG2-CG1 4.26Å
565	R	87.3	Confident	89.2	Confident	190 Å²	190	86.1 Å²	86.1	72%	0.717	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.7	166.4	-60.2	-169.6	178.7	-179.5	-0	108.9	R570	R565-R570 HydrophobicContact CG-CG 4.23Å
566	W	84	Confident	89	Confident	58 Å²	58	87 Å²	87	22%	0.22	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	117.7	174.2	-171	8.5	0	0	0	110.4	L420 R462 D568 K569 F571	L420-W566 HydrophobicContact CB-CE3 4.27Å; L420-W566 HydrophobicContact CB-CZ3 3.91Å; L420-W566 HydrophobicContact CD1-CE3 4.44Å; L420-W566 HydrophobicContact CD2-CE3 3.67Å; L420-W566 HydrophobicContact CD2-CZ3 3.6Å; L420-W566 HydrophobicContact CG-CE3 4.32Å; L420-W566 HydrophobicContact CG-CZ3 4.26Å; R462-W566 VanDerWaalsContact NH1-CD1 3.25Å; R462-W566 VanDerWaalsContact NH1-NE1 3.14Å; W566-D568 PolarHBondContact O-N 3.1Å; W566-K569 PolarHBondContact N-O 3.41Å; W566-K569 PolarHBondContact O-N 2.98Å; W566-F571 HydrophobicContact CB-CD2 4.45Å; W566-F571 HydrophobicContact CB-CE2 4.22Å
567	R	82.7	Confident	88.8	Confident	153 Å²	153	83.2 Å²	83.2	58%	0.577	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-134.3	-164.5	-58	-178	170.7	118.8	-9.6	108.1	K569	R567-K569 VanDerWaalsContact C-N 3.26Å; R567-K569 PolarHBondContact O-N 3.3Å
568	D	81.9	Confident	88.7	Confident	159 Å²	159	85 Å²	85	85%	0.85	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	18.6	-178.3	-47.1	-55	0	0	0	113.4	W566	W566-D568 PolarHBondContact O-N 3.1Å
569	K	89.1	Confident	88.8	Confident	80 Å²	80	85.2 Å²	85.2	35%	0.348	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.5	-174	-58.4	179.6	-175.3	178.6	0	111.7	W566 R567 F571 D583	W566-K569 PolarHBondContact N-O 3.41Å; W566-K569 PolarHBondContact O-N 2.98Å; R567-K569 VanDerWaalsContact C-N 3.26Å; R567-K569 PolarHBondContact O-N 3.3Å; K569-F571 HydrophobicContact CB-CD2 4.43Å; K569-F571 HydrophobicContact CB-CE2 3.55Å; K569-F571 HydrophobicContact CB-CZ 3.75Å; K569-F571 HydrophobicContact CD-CZ 4.1Å; K569-D583 WeakPolarHBondContact CA-OD2 3.02Å
570	R	91.9	Very high	88.8	Confident	101 Å²	101	86.6 Å²	86.6	38%	0.381	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137	173.9	-63.7	-171.6	-68	169.8	-4.3	111.7	V564 R565 I582 D583	V564-R570 WeakPolarHBondContact O-CA 3.42Å; R565-R570 HydrophobicContact CG-CG 4.23Å; R570-I582 HydrophobicContact CB-CB 4.37Å; R570-I582 PolarHBondContact O-N 3.41Å; R570-D583 IonicContact CZ-OD1 2.92Å; R570-D583 VanDerWaalsContact CZ-OD1 3.28Å; R570-D583 PolarHBondContact N-OD2 3.16Å; R570-D583 IonicContact NE-OD1 3.98Å; R570-D583 PolarHBondContact NE-OD1 3.13Å; R570-D583 IonicContact NH2-OD1 2.7Å; R570-D583 PolarHBondContact NH2-OD1 3Å
571	F	92.6	Very high	88.8	Confident	7 Å²	7	83.5 Å²	83.5	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.6	-178.4	-58.3	-88.2	0	0	0	111.3	I259 L420 E563 V564 W566 K569 E580 R581	I259-F571 HydrophobicContact CB-CE1 4.3Å; I259-F571 HydrophobicContact CD1-CD1 3.91Å; I259-F571 HydrophobicContact CD1-CE1 4Å; L420-F571 HydrophobicContact CD1-CB 3.71Å; L420-F571 HydrophobicContact CD1-CD1 4.17Å; L420-F571 HydrophobicContact CD1-CD2 3.93Å; L420-F571 HydrophobicContact CD1-CG 3.68Å; L420-F571 HydrophobicContact CD2-CD1 4.24Å; L420-F571 HydrophobicContact CD2-CD2 4.42Å; L420-F571 HydrophobicContact CD2-CE1 4.13Å; L420-F571 HydrophobicContact CD2-CE2 4.31Å; L420-F571 HydrophobicContact CD2-CG 4.38Å; L420-F571 HydrophobicContact CD2-CZ 4.15Å; E563-F571 WeakPolarHBondContact CA-O 3.47Å; V564-F571 PolarHBondContact N-O 3.15Å; V564-F571 PolarHBondContact O-N 3.01Å; W566-F571 HydrophobicContact CB-CD2 4.45Å; W566-F571 HydrophobicContact CB-CE2 4.22Å; K569-F571 HydrophobicContact CB-CD2 4.43Å; K569-F571 HydrophobicContact CB-CE2 3.55Å; K569-F571 HydrophobicContact CB-CZ 3.75Å; K569-F571 HydrophobicContact CD-CZ 4.1Å; F571-E580 CarbonylContact C-O 3.51Å; F571-E580 WeakPolarHBondContact CA-O 3.44Å; F571-R581 HydrophobicContact CD1-CB 4.09Å; F571-R581 HydrophobicContact CD1-CG 4.49Å; F571-R581 HydrophobicContact CE1-CB 4.05Å; F571-R581 HydrophobicContact CE1-CG 4.25Å
572	R	91.9	Very high	88.8	Confident	128 Å²	128	78.9 Å²	78.9	48%	0.483	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.6	166	-173.3	167.4	-69.4	174	-0	108.1	E563 S579 E580 I582	E563-R572 IonicContact OE1-NH2 2.87Å; E563-R572 PolarHBondContact OE1-NH2 3.39Å; E563-R572 VanDerWaalsContact OE1-NH2 3.15Å; R572-S579 WeakPolarHBondContact O-CA 3.39Å; R572-E580 PolarHBondContact N-O 3.46Å; R572-E580 PolarHBondContact O-N 3.41Å; R572-I582 HydrophobicContact CB-CD1 3.81Å; R572-I582 HydrophobicContact CB-CG1 3.87Å
573	I	91.3	Very high	88.6	Confident	5 Å²	5	77 Å²	77	3%	0.026	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.4	178.8	-53.2	164.6	0	0	0	108.5	L466 S469 V564	L466-I573 HydrophobicContact CD2-CD1 3.43Å; L466-I573 VanDerWaalsContact CD2-CD1 3.43Å; L466-I573 HydrophobicContact CD2-CG1 4.44Å; L466-I573 HydrophobicContact CG-CD1 4.04Å; S469-I573 VanDerWaalsContact CB-CG2 3.42Å; V564-I573 HydrophobicContact CB-CD1 4.18Å; V564-I573 HydrophobicContact CG2-CD1 3.35Å; V564-I573 HydrophobicContact CG2-CG1 4.26Å
574	R	90.5	Very high	87.1	Confident	138 Å²	138	79.8 Å²	79.8	52%	0.521	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-79	160.7	172.7	-64.9	-171.7	176.5	-167.5	4.3	110.3	G576 G577 I578 E580	R574-G576 PolarHBondContact O-N 3.4Å; R574-G577 PolarHBondContact O-N 2.94Å; R574-I578 PolarHBondContact N-O 3.45Å; R574-E580 VanDerWaalsContact CZ-CD 3.4Å; R574-E580 IonicContact CZ-OE1 3.62Å; R574-E580 IonicContact CZ-OE2 2.65Å; R574-E580 VanDerWaalsContact CZ-OE2 3.26Å; R574-E580 IonicContact NE-OE1 3.28Å; R574-E580 PolarHBondContact NE-OE1 3.33Å; R574-E580 IonicContact NE-OE2 2.72Å; R574-E580 PolarHBondContact NE-OE2 2.73Å; R574-E580 IonicContact NH1-OE1 3.53Å; R574-E580 IonicContact NH2-OE1 3.15Å; R574-E580 PolarHBondContact NH2-OE1 3.48Å; R574-E580 IonicContact NH2-OE2 3.05Å; R574-E580 PolarHBondContact NH2-OE2 2.97Å
575	W	90.1	Very high	84.9	Confident	147 Å²	147	87.9 Å²	87.9	56%	0.557	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	137.6	170.1	-65.4	121.8	0	0	0	110.7	V472 R562 G577	V472-W575 HydrophobicContact CG2-CE3 3.99Å; V472-W575 HydrophobicContact CG2-CH2 4.46Å; V472-W575 HydrophobicContact CG2-CZ3 3.59Å; R562-W575 VanDerWaalsContact NH2-CZ3 3.26Å; W575-G577 VanDerWaalsContact C-N 3.32Å
576	G	88.3	Confident	82.6	Confident	41 Å²	41	85.3 Å²	85.3	42%	0.423	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	3	-170.8	0	0	0	0	0	113.9	F425 S469 R574 I578	F425-G576 WeakPolarHBondContact CE1-O 3.18Å; F425-G576 WeakPolarHBondContact CZ-O 3.39Å; S469-G576 PolarHBondContact O-N 2.97Å; R574-G576 PolarHBondContact O-N 3.4Å; G576-I578 PolarHBondContact O-N 3.29Å
577	G	88.9	Confident	80.4	Confident	0 Å²	0	89.7 Å²	89.7	0%	0	42%	0.421	C	S	.	.	S	Bend	trans	83.6	-3.5	169.9	0	0	0	0	0	116.3	Y419 R574 W575 S579	Y419-G577 WeakPolarHBondContact CD1-O 3.18Å; R574-G577 PolarHBondContact O-N 2.94Å; W575-G577 VanDerWaalsContact C-N 3.32Å; G577-S579 PolarHBondContact O-N 2.88Å; G577-S579 PolarHBondContact O-OG 3.36Å; G577-S579 VanDerWaalsContact O-OG 3.05Å
578	I	92.7	Very high	78.1	Confident	74 Å²	74	92.8 Å²	92.8	38%	0.379	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-57.5	126.8	172.6	-60	170.7	0	0	0	107.6	Y419 R574 G576	Y419-I578 HydrophobicContact CE1-CB 4.5Å; Y419-I578 HydrophobicContact CE1-CG1 3.74Å; R574-I578 PolarHBondContact N-O 3.45Å; G576-I578 PolarHBondContact O-N 3.29Å
579	S	93	Very high	77.9	Confident	5 Å²	5	89.5 Å²	89.5	4%	0.035	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.8	-176.9	-21.7	0	0	0	0	111.2	I259 C418 L420 R572 G577	I259-S579 WeakPolarHBondContact CD1-O 3.35Å; C418-S579 PolarHBondContact O-N 3.28Å; L420-S579 WeakPolarHBondContact CG-OG 3.46Å; L420-S579 PolarHBondContact N-OG 3.31Å; R572-S579 WeakPolarHBondContact O-CA 3.39Å; G577-S579 PolarHBondContact O-N 2.88Å; G577-S579 PolarHBondContact O-OG 3.36Å; G577-S579 VanDerWaalsContact O-OG 3.05Å
580	E	91.4	Very high	77.3	Confident	72 Å²	72	89.9 Å²	89.9	34%	0.336	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.6	-177.1	-62.4	-176.1	149.7	0	0	109.1	F571 R572 R574	F571-E580 CarbonylContact C-O 3.51Å; F571-E580 WeakPolarHBondContact CA-O 3.44Å; R572-E580 PolarHBondContact N-O 3.46Å; R572-E580 PolarHBondContact O-N 3.41Å; R574-E580 VanDerWaalsContact CZ-CD 3.4Å; R574-E580 IonicContact CZ-OE1 3.62Å; R574-E580 IonicContact CZ-OE2 2.65Å; R574-E580 VanDerWaalsContact CZ-OE2 3.26Å; R574-E580 IonicContact NE-OE1 3.28Å; R574-E580 PolarHBondContact NE-OE1 3.33Å; R574-E580 IonicContact NE-OE2 2.72Å; R574-E580 PolarHBondContact NE-OE2 2.73Å; R574-E580 IonicContact NH1-OE1 3.53Å; R574-E580 IonicContact NH2-OE1 3.15Å; R574-E580 PolarHBondContact NH2-OE1 3.48Å; R574-E580 IonicContact NH2-OE2 3.05Å; R574-E580 PolarHBondContact NH2-OE2 2.97Å
581	R	89.3	Confident	76.5	Confident	89 Å²	89	89.3 Å²	89.3	34%	0.336	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.3	178	-173.5	172.9	178.3	-159.7	2.6	109.9	F571 H584	F571-R581 HydrophobicContact CD1-CB 4.09Å; F571-R581 HydrophobicContact CD1-CG 4.49Å; F571-R581 HydrophobicContact CE1-CB 4.05Å; F571-R581 HydrophobicContact CE1-CG 4.25Å; R581-H584 PolarHBondContact NH1-NE2 3.02Å
582	I	87	Confident	75.6	Confident	37 Å²	37	94.2 Å²	94.2	19%	0.19	46%	0.456	C	S	.	.	S	Bend	trans	-87.5	-32.3	-176.4	-53.2	175.9	0	0	0	111.3	E563 R570 R572 H584	E563-I582 HydrophobicContact CB-CD1 4.37Å; E563-I582 VanDerWaalsContact CD-CD1 3.47Å; E563-I582 HydrophobicContact CG-CD1 3.79Å; E563-I582 WeakPolarHBondContact OE1-CD1 3.49Å; R570-I582 HydrophobicContact CB-CB 4.37Å; R570-I582 PolarHBondContact O-N 3.41Å; R572-I582 HydrophobicContact CB-CD1 3.81Å; R572-I582 HydrophobicContact CB-CG1 3.87Å; I582-H584 PolarHBondContact O-N 2.77Å
583	D	77.7	Confident	74.5	Confident	54 Å²	54	92.1 Å²	92.1	29%	0.289	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	9.6	-175.2	-54	-43.7	0	0	0	114.6	K569 R570 Q585	K569-D583 WeakPolarHBondContact CA-OD2 3.02Å; R570-D583 IonicContact CZ-OD1 2.92Å; R570-D583 VanDerWaalsContact CZ-OD1 3.28Å; R570-D583 PolarHBondContact N-OD2 3.16Å; R570-D583 IonicContact NE-OD1 3.98Å; R570-D583 PolarHBondContact NE-OD1 3.13Å; R570-D583 IonicContact NH2-OD1 2.7Å; R570-D583 PolarHBondContact NH2-OD1 3Å; D583-Q585 VanDerWaalsContact C-N 3.32Å
584	H	56.9	Low	73.4	Confident	138 Å²	138	97.9 Å²	97.9	64%	0.639	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	14.2	175.9	-90.9	-60.7	0	0	0	114.5	R581 I582 N586	R581-H584 PolarHBondContact NH1-NE2 3.02Å; I582-H584 PolarHBondContact O-N 2.77Å; H584-N586 PolarHBondContact O-N 2.74Å
585	Q	44.9	Very low	72.2	Confident	170 Å²	170	95 Å²	95	79%	0.794	48%	0.481	S	S	*	.	S	Bend	trans	-78.1	106.7	166	-75.1	-171.4	-25	0	0	110.1	D583	D583-Q585 VanDerWaalsContact C-N 3.32Å
586	N	37.9	Very low	70.8	Confident	135 Å²	135	91 Å²	91	72%	0.722	48%	0.475	S	S	*	.			trans	73.8	73.1	163.1	-53.6	-15.6	0	0	0	116.8	H584	H584-N586 PolarHBondContact O-N 2.74Å
587	V	37.6	Very low	69.4	Low	151 Å²	151	95.2 Å²	95.2	92%	0.915	48%	0.479	S	S	*	.			trans	-106.5	96.2	130.7	-175.6	0	0	0	0	104.5
588	I	35.1	Very low	67.6	Low	217 Å²	217	103.8 Å²	103.8	100%	1.113	52%	0.523	S	S	*	.			trans	-72.1	0	166.2	-68.2	171.6	0	0	0	107.4

Retrieved 588 of 588 residues in 473.8 ms (Link to these results)

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