A0A3Q0KE12_SCHMA Loading...

Phosphatidylcholine-sterol acyltransferase (Lecithin-cholesterol acyltransferase)/ Phospholipase A AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KE12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 410 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	33.1	Very low	233 Å²	233	141.5 Å²	141.5	100%	1.148	79%	0.789	S	S	*	*				0	66.9	0	-62.8	169.8	173.1	0	0	107.2
2	C	37.2	Very low	32.6	Very low	131 Å²	131	141.6 Å²	141.6	89%	0.885	78%	0.784	S	S	*	*				63.7	96	98.4	-54.3	0	0	0	0	111.9
3	G	30.9	Very low	32.5	Very low	63 Å²	63	143.1 Å²	143.1	65%	0.649	79%	0.789	S	S	*	*			cis	95.7	102	2.5	0	0	0	0	0	113.9
4	N	38	Very low	32	Very low	163 Å²	163	142.4 Å²	142.4	87%	0.872	78%	0.782	S	S	*	*				-179.2	113.2	129.2	-92.9	-17	0	0	0	113.1
5	N	35	Very low	31.7	Very low	168 Å²	168	140.5 Å²	140.5	90%	0.898	78%	0.776	S	S	*	*			trans	-75.1	130.2	153.4	-81.6	-31.9	0	0	0	109
6	C	34.1	Very low	31.3	Very low	105 Å²	105	141.3 Å²	141.3	71%	0.709	77%	0.773	S	S	*	*			trans	-164.8	144.3	165.4	-114.6	0	0	0	0	110
7	K	31	Very low	31.3	Very low	170 Å²	170	147.3 Å²	147.3	74%	0.739	78%	0.783	S	S	*	*			cis	-165.8	129.8	-25.5	-111.8	-177.3	-170.3	173.5	0	106.1
8	I	29.3	Very low	31.2	Very low	133 Å²	133	143.6 Å²	143.6	68%	0.682	77%	0.767	S	S	*	*			trans	50.4	149.5	130.8	-35.4	167.9	0	0	0	120.1
9	L	28.1	Very low	31	Very low	137 Å²	137	145.3 Å²	145.3	72%	0.717	78%	0.775	S	S	*	*			trans	73.3	139.9	168.1	-47.2	114.7	0	0	0	113.7
10	H	32.3	Very low	30.8	Very low	166 Å²	166	145.2 Å²	145.2	77%	0.769	77%	0.774	S	S	*	*			cis	-162	165.4	-5.3	-104.8	-27.1	0	0	0	106.5
11	S	31.3	Very low	31.1	Very low	88 Å²	88	144 Å²	144	62%	0.615	78%	0.776	S	S	*	*			cis	-166.5	142.9	-10.3	47.9	0	0	0	0	110.9
12	I	27.7	Very low	30.8	Very low	142 Å²	142	138.2 Å²	138.2	73%	0.728	76%	0.758	S	S	*	*			trans	23.7	112.4	138	-53.6	167.9	0	0	0	117.8	L14	I12-L14 HydrophobicContact CG2-CD1 4.2Å
13	L	30.7	Very low	30.5	Very low	161 Å²	161	139.7 Å²	139.7	84%	0.843	75%	0.754	S	S	*	*			trans	173.4	95.2	138.9	-95	152.5	0	0	0	107.6
14	L	25.9	Very low	30.6	Very low	133 Å²	133	141.5 Å²	141.5	70%	0.696	75%	0.752	S	S	*	*				51.5	108.8	88.7	-84.8	113.3	0	0	0	115.6	I12	I12-L14 HydrophobicContact CG2-CD1 4.2Å
15	V	27.1	Very low	30.9	Very low	114 Å²	114	138.4 Å²	138.4	69%	0.691	74%	0.741	S	S	*	*				68.3	142.9	124.9	175.5	0	0	0	0	119
16	Q	25.5	Very low	31.5	Very low	154 Å²	154	135.8 Å²	135.8	72%	0.72	73%	0.731	S	S	*	*			trans	72	83.3	165.8	-78.3	161.3	-8.8	0	0	119.4	V18	Q16-V18 HydrophobicContact CB-CG2 3.78Å; Q16-V18 HydrophobicContact CG-CG2 3.83Å
17	Y	31.7	Very low	32.1	Very low	243 Å²	243	139.5 Å²	139.5	95%	0.953	73%	0.732	S	S	*	*			trans	-138.2	69.8	133.6	-89.4	-87.5	0	0	0	106.9
18	V	28.9	Very low	33.2	Very low	80 Å²	80	133.5 Å²	133.5	49%	0.485	71%	0.709	S	S	.	*				54.6	96	84.4	-170.9	0	0	0	0	112.6	Q16 L20	Q16-V18 HydrophobicContact CB-CG2 3.78Å; Q16-V18 HydrophobicContact CG-CG2 3.83Å; V18-L20 HydrophobicContact CB-CD1 4.49Å; V18-L20 HydrophobicContact CG1-CD1 3.72Å; V18-L20 HydrophobicContact CG1-CG 3.88Å; V18-L20 PolarHBondContact O-N 3.45Å
19	L	28.6	Very low	34.3	Very low	176 Å²	176	130.7 Å²	130.7	92%	0.921	70%	0.698	S	S	*	*			trans	-15	82.9	138.5	-78.4	130.3	0	0	0	115
20	L	27.2	Very low	35.6	Very low	143 Å²	143	127.9 Å²	127.9	75%	0.749	69%	0.688	S	S	*	*			trans	-143.5	100.9	174.6	-91.8	165.3	0	0	0	110.4	V18	V18-L20 HydrophobicContact CB-CD1 4.49Å; V18-L20 HydrophobicContact CG1-CD1 3.72Å; V18-L20 HydrophobicContact CG1-CG 3.88Å; V18-L20 PolarHBondContact O-N 3.45Å
21	C	35.7	Very low	36.7	Very low	122 Å²	122	125.9 Å²	125.9	82%	0.824	68%	0.68	S	S	*	*	S	Bend	trans	148.9	36.8	149.6	-79.4	0	0	0	0	114
22	S	31	Very low	37.8	Very low	111 Å²	111	122 Å²	122	78%	0.776	65%	0.653	S	S	*	*	S	Bend	trans	-104.6	34.7	156.2	55.9	0	0	0	0	111.6
23	M	29.6	Very low	39.2	Very low	162 Å²	162	118.8 Å²	118.8	80%	0.798	64%	0.64	S	S	*	*			trans	-146.7	94.2	-176.4	-68.8	-68.6	-92.7	0	0	110.5
24	T	33.5	Very low	40.3	Very low	100 Å²	100	114.5 Å²	114.5	61%	0.613	62%	0.623	S	S	*	*			trans	178.5	95.6	152.9	19.4	0	0	0	0	111.8	Y27	T24-Y27 HydrophobicContact CG2-CD2 3.84Å
25	P	44.3	Very low	41.6	Very low	99 Å²	99	109.4 Å²	109.4	64%	0.643	60%	0.596	S	S	*	*	S	Bend	trans	-110.6	-7.6	131.9	-13.2	30.7	0	0	0	112.9	Y27 T28	P25-Y27 PolarHBondContact O-N 3.43Å; P25-T28 PolarHBondContact O-OG1 2.96Å
26	V	48	Very low	42.7	Very low	112 Å²	112	106.1 Å²	106.1	68%	0.679	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-21.1	-162.4	-170	0	0	0	0	113.8
27	Y	45.9	Very low	43.8	Very low	184 Å²	184	105.7 Å²	105.7	72%	0.722	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-9	-174.1	-70.6	-77.2	0	0	0	115.6	T24 P25	T24-Y27 HydrophobicContact CG2-CD2 3.84Å; P25-Y27 PolarHBondContact O-N 3.43Å
28	T	54.2	Low	44.7	Very low	44 Å²	44	99.1 Å²	99.1	27%	0.27	56%	0.563	S	S	.	*	H	α-helix	trans	-78.2	-39.9	-178.5	50.9	0	0	0	0	112.7	P25 M31 L32 F149	P25-T28 PolarHBondContact O-OG1 2.96Å; T28-M31 PolarHBondContact O-N 2.74Å; T28-L32 PolarHBondContact O-N 2.8Å; T28-F149 WeakPolarHBondContact OG1-CE2 3.3Å; T28-F149 WeakPolarHBondContact OG1-CZ 3.4Å
29	V	53.3	Low	45.8	Very low	74 Å²	74	101 Å²	101	45%	0.448	57%	0.566	S	S	.	*	H	α-helix	trans	-64.1	-45.4	-177.2	-174.3	0	0	0	0	113.1	M31 L32 T33 F149	V29-M31 PolarHBondContact O-N 3.24Å; V29-L32 PolarHBondContact O-N 2.79Å; V29-T33 PolarHBondContact O-N 2.9Å; V29-T33 PolarHBondContact O-OG1 3.01Å; V29-F149 HydrophobicContact CG2-CZ 4.09Å
30	P	54.5	Low	47.1	Very low	78 Å²	78	100.9 Å²	100.9	51%	0.506	57%	0.566	S	S	.	*	H	α-helix	trans	-65	-24.7	176.2	-21	34.3	0	0	0	113.7	T33	P30-T33 PolarHBondContact O-OG1 2.85Å; P30-T33 VanDerWaalsContact O-OG1 3.1Å
31	M	55.5	Low	49.4	Very low	123 Å²	123	95.9 Å²	95.9	61%	0.606	55%	0.55	S	S	*	.	H	α-helix	trans	-74.6	-46	179.2	-155.7	-173.9	-170.4	0	0	110.9	T28 V29 T33 S34 I35	T28-M31 PolarHBondContact O-N 2.74Å; V29-M31 PolarHBondContact O-N 3.24Å; M31-T33 PolarHBondContact O-N 3.43Å; M31-S34 PolarHBondContact O-N 3.22Å; M31-S34 PolarHBondContact O-OG 3.23Å; M31-I35 HydrophobicContact CE-CD1 4.5Å; M31-I35 HydrophobicContact CG-CD1 3.86Å; M31-I35 WeakPolarHBondContact O-CD1 3.23Å; M31-I35 VanDerWaalsContact O-CG1 3.31Å; M31-I35 WeakPolarHBondContact O-CG1 3.34Å; M31-I35 PolarHBondContact O-N 3.39Å; M31-I35 VanDerWaalsContact O-N 3.09Å; M31-I35 HydrophobicContact SD-CD1 4.42Å
32	L	56	Low	51.9	Low	8 Å²	8	94.4 Å²	94.4	4%	0.042	53%	0.533	C	S	.	.	H	α-helix	trans	-64.7	-36.6	-180	-74.2	162.2	0	0	0	113.1	T28 V29 S34 I35 N36 F144 F149 T150 L184	T28-L32 PolarHBondContact O-N 2.8Å; V29-L32 PolarHBondContact O-N 2.79Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 2.58Å; L32-I35 PolarHBondContact O-N 2.91Å; L32-N36 PolarHBondContact O-N 2.7Å; L32-N36 VanDerWaalsContact O-N 3.12Å; L32-F144 HydrophobicContact CD2-CD2 4.07Å; L32-F149 HydrophobicContact CD1-CD1 3.85Å; L32-F149 HydrophobicContact CD1-CE1 3.46Å; L32-F149 VanDerWaalsContact CD1-CE1 3.46Å; L32-T150 HydrophobicContact CD1-CG2 4.23Å; L32-L184 HydrophobicContact CB-CD1 4.45Å; L32-L184 HydrophobicContact CB-CD2 4.35Å
33	T	56.8	Low	54.9	Low	73 Å²	73	90 Å²	90	45%	0.448	50%	0.5	S	S	.	.	H	α-helix	trans	-66.6	-31.8	176.6	50	0	0	0	0	113	V29 P30 M31 L184	V29-T33 PolarHBondContact O-N 2.9Å; V29-T33 PolarHBondContact O-OG1 3.01Å; P30-T33 PolarHBondContact O-OG1 2.85Å; P30-T33 VanDerWaalsContact O-OG1 3.1Å; M31-T33 PolarHBondContact O-N 3.43Å; T33-L184 HydrophobicContact CG2-CD2 3.95Å
34	S	53.9	Low	58.1	Low	71 Å²	71	83.6 Å²	83.6	50%	0.497	47%	0.467	S	S	.	.	H	α-helix	trans	-77.8	-35.6	173.5	70.4	0	0	0	0	113.4	M31 L32 N37	M31-S34 PolarHBondContact O-N 3.22Å; M31-S34 PolarHBondContact O-OG 3.23Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 2.58Å; S34-N37 PolarHBondContact O-N 3.5Å
35	I	52.5	Low	61.2	Low	26 Å²	26	78.9 Å²	78.9	13%	0.133	44%	0.438	C	S	.	.	H	α-helix	trans	-68.4	-37.6	-179.3	-71.5	164	0	0	0	111.7	M31 L32 N37 T38 K143	M31-I35 HydrophobicContact CE-CD1 4.5Å; M31-I35 HydrophobicContact CG-CD1 3.86Å; M31-I35 WeakPolarHBondContact O-CD1 3.23Å; M31-I35 VanDerWaalsContact O-CG1 3.31Å; M31-I35 WeakPolarHBondContact O-CG1 3.34Å; M31-I35 PolarHBondContact O-N 3.39Å; M31-I35 VanDerWaalsContact O-N 3.09Å; M31-I35 HydrophobicContact SD-CD1 4.42Å; L32-I35 PolarHBondContact O-N 2.91Å; I35-N37 PolarHBondContact O-N 2.68Å; I35-N37 VanDerWaalsContact O-N 3.08Å; I35-T38 PolarHBondContact O-N 3.15Å; I35-T38 VanDerWaalsContact O-N 3.15Å; I35-T38 PolarHBondContact O-OG1 2.86Å; I35-T38 VanDerWaalsContact O-OG1 3.04Å; I35-K143 HydrophobicContact CD1-CB 4.02Å; I35-K143 HydrophobicContact CD1-CD 4.14Å; I35-K143 HydrophobicContact CG1-CD 4.42Å; I35-K143 HydrophobicContact CG2-CB 4Å; I35-K143 HydrophobicContact CG2-CD 4.46Å
36	N	50.8	Low	63.7	Low	46 Å²	46	74.1 Å²	74.1	25%	0.246	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.5	-177.2	-153.9	107.8	0	0	0	113.7	L32 R186	L32-N36 PolarHBondContact O-N 2.7Å; L32-N36 VanDerWaalsContact O-N 3.12Å; N36-R186 VanDerWaalsContact CG-NH2 3.33Å; N36-R186 PolarHBondContact ND2-NH2 2.87Å; N36-R186 PolarHBondContact OD1-NH1 3.39Å; N36-R186 PolarHBondContact OD1-NH2 2.99Å
37	N	48	Very low	66.2	Low	145 Å²	145	68.8 Å²	68.8	78%	0.775	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.5	173.1	-74.2	-18.4	0	0	0	113.8	S34 I35	S34-N37 PolarHBondContact O-N 3.5Å; I35-N37 PolarHBondContact O-N 2.68Å; I35-N37 VanDerWaalsContact O-N 3.08Å
38	T	51	Low	68.7	Low	105 Å²	105	60 Å²	60	64%	0.644	34%	0.34	S	S	*	.	S	Bend	trans	-121.8	-0.1	-173.7	57	0	0	0	0	115.8	I35	I35-T38 PolarHBondContact O-N 3.15Å; I35-T38 VanDerWaalsContact O-N 3.15Å; I35-T38 PolarHBondContact O-OG1 2.86Å; I35-T38 VanDerWaalsContact O-OG1 3.04Å
39	H	52.2	Low	70.8	Confident	119 Å²	119	58 Å²	58	55%	0.551	33%	0.328	S	S	*	.	S	Bend	trans	-132.7	132.8	177.6	-77.4	-84.7	0	0	0	112.5	G41	H39-G41 PolarHBondContact O-N 3.08Å
40	N	55.7	Low	72.9	Confident	173 Å²	173	54.5 Å²	54.5	93%	0.925	31%	0.306	S	S	*	.	S	Bend	trans	-70	122.9	178.5	-74.1	-18.5	0	0	0	111.7
41	G	75.8	Confident	75	Confident	39 Å²	39	50.8 Å²	50.8	40%	0.402	28%	0.283	S	S	.	.	S	Bend	trans	120.9	137.5	171.9	0	0	0	0	0	113.6	H39	H39-G41 PolarHBondContact O-N 3.08Å
42	I	86.9	Confident	76.8	Confident	90 Å²	90	48 Å²	48	46%	0.462	27%	0.269	S	S	.	.			trans	-73.2	131.4	173.1	-64.3	175	0	0	0	108.3	Y44 N409	I42-Y44 HydrophobicContact CG2-CE1 4.13Å; I42-Y44 HydrophobicContact CG2-CE2 4.07Å; I42-N409 CarbonylContact O-C 3.28Å; I42-N409 VanDerWaalsContact O-C 3.28Å; I42-N409 WeakPolarHBondContact O-CA 3.4Å
43	K	93.7	Very high	78.5	Confident	19 Å²	19	47.9 Å²	47.9	8%	0.083	27%	0.27	C	S	.	.			trans	-104.4	132.7	177.7	-51.9	-65.1	175.2	157	0	109.8	D142 F144 R186 N409	K43-D142 WeakPolarHBondContact CE-OD2 3.4Å; K43-D142 IonicContact NZ-OD2 2.79Å; K43-D142 PolarHBondContact NZ-OD2 3.47Å; K43-F144 HydrophobicContact CB-CB 4.07Å; K43-F144 HydrophobicContact CB-CD1 3.5Å; K43-F144 VanDerWaalsContact CB-CD1 3.5Å; K43-F144 HydrophobicContact CB-CD2 3.77Å; K43-F144 HydrophobicContact CB-CE1 3.8Å; K43-F144 HydrophobicContact CB-CE2 4.05Å; K43-F144 HydrophobicContact CB-CG 3.47Å; K43-F144 VanDerWaalsContact CB-CG 3.47Å; K43-F144 HydrophobicContact CB-CZ 4.06Å; K43-F144 HydrophobicContact CG-CB 4.05Å; K43-F144 HydrophobicContact CG-CD1 4.37Å; K43-F144 HydrophobicContact CG-CD2 4.37Å; K43-F144 HydrophobicContact CG-CG 4Å; K43-F144 WeakPolarHBondContact O-CZ 3.38Å; K43-R186 WeakPolarHBondContact O-CD 3.47Å; K43-R186 PolarHBondContact O-NH1 2.73Å; K43-N409 WeakPolarHBondContact CD-OD1 3.4Å; K43-N409 WeakPolarHBondContact CE-OD1 3.47Å; K43-N409 VanDerWaalsContact NZ-CG 3.3Å; K43-N409 PolarHBondContact NZ-ND2 3.04Å; K43-N409 PolarHBondContact NZ-OD1 3.38Å
44	Y	97.3	Very high	80.2	Confident	28 Å²	28	44.4 Å²	44.4	11%	0.11	25%	0.249	C	C	.	.			trans	-102.1	147.1	175.7	-59.2	-84.7	0	0	0	110.5	I42 F144 Y145 R186 P187 K217 M408 N410	I42-Y44 HydrophobicContact CG2-CE1 4.13Å; I42-Y44 HydrophobicContact CG2-CE2 4.07Å; Y44-F144 WeakPolarHBondContact O-CE1 3.42Å; Y44-Y145 WeakPolarHBondContact O-CE1 3.47Å; Y44-R186 HydrophobicContact CD1-CB 4.17Å; Y44-P187 HydrophobicContact CD1-CG 4.01Å; Y44-P187 WeakPolarHBondContact CD1-O 3.26Å; Y44-P187 HydrophobicContact CE1-CG 3.91Å; Y44-K217 HydrophobicContact CD1-CB 4.19Å; Y44-K217 HydrophobicContact CD1-CD 4.3Å; Y44-K217 HydrophobicContact CD1-CG 4Å; Y44-K217 HydrophobicContact CD2-CG 4.23Å; Y44-K217 HydrophobicContact CE1-CD 4.01Å; Y44-K217 HydrophobicContact CE1-CG 4.23Å; Y44-K217 HydrophobicContact CE2-CD 4.37Å; Y44-K217 HydrophobicContact CE2-CG 4.48Å; Y44-K217 HydrophobicContact CG-CB 4.43Å; Y44-K217 HydrophobicContact CG-CG 3.99Å; Y44-M408 PolarHBondContact N-O 2.79Å; Y44-M408 VanDerWaalsContact N-O 3.13Å; Y44-M408 WeakPolarHBondContact O-CE 3.45Å; Y44-N410 WeakPolarHBondContact CE2-O 3.48Å; Y44-N410 WeakPolarHBondContact CE2-OXT 3.22Å; Y44-N410 PolarHBondContact OH-O 3.22Å
45	P	98.2	Very high	82.1	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.			trans	-74.7	158.9	171.9	33.8	-37.4	0	0	0	111.4	T150 T179 V188 V189	P45-T150 CarbonylContact C-O 3.59Å; P45-T150 WeakPolarHBondContact CA-O 3.29Å; P45-T150 WeakPolarHBondContact CB-O 3.44Å; P45-T179 HydrophobicContact CB-CG2 3.69Å; P45-T179 HydrophobicContact CG-CG2 4.18Å; P45-V188 HydrophobicContact CG-CB 4.4Å; P45-V188 HydrophobicContact CG-CG1 4.43Å; P45-V188 HydrophobicContact CG-CG2 4.01Å; P45-V189 PolarHBondContact O-N 3.45Å
46	I	98.7	Very high	84	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.1	-175.7	-171.8	172.2	0	0	0	112.7	L48 L139 Y145 T150 M151 R152 V189 L191 V404 M408	I46-L48 HydrophobicContact CD1-CD2 3.76Å; I46-L48 HydrophobicContact CG1-CD2 4.05Å; I46-L139 HydrophobicContact CD1-CD1 4.47Å; I46-L139 HydrophobicContact CG2-CD1 4.3Å; I46-Y145 HydrophobicContact CG2-CD1 4.46Å; I46-T150 PolarHBondContact N-O 2.63Å; I46-M151 HydrophobicContact CG2-CB 4Å; I46-M151 HydrophobicContact CG2-CG 3.77Å; I46-M151 HydrophobicContact CG2-SD 4.26Å; I46-M151 WeakPolarHBondContact O-CA 3.39Å; I46-R152 PolarHBondContact O-N 3.44Å; I46-V189 WeakPolarHBondContact CA-O 3.21Å; I46-V189 HydrophobicContact CB-CB 4.48Å; I46-V189 HydrophobicContact CG1-CB 4.35Å; I46-V189 HydrophobicContact CG1-CG1 4.36Å; I46-L191 HydrophobicContact CD1-CB 4.17Å; I46-L191 HydrophobicContact CD1-CD1 4.06Å; I46-V404 HydrophobicContact CD1-CG1 4.21Å; I46-M408 HydrophobicContact CB-CE 3.71Å; I46-M408 HydrophobicContact CB-SD 4.12Å; I46-M408 HydrophobicContact CD1-SD 3.88Å; I46-M408 HydrophobicContact CG1-CE 4.49Å; I46-M408 HydrophobicContact CG1-SD 4.28Å; I46-M408 HydrophobicContact CG2-CE 4.45Å
47	I	98.8	Very high	85.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.8	168.2	-56.9	167.4	0	0	0	109.4	I49 R152 A154 F172 L175 V176 T179 V188 V189 L190 L191	I47-I49 HydrophobicContact CG2-CD1 4.27Å; I47-I49 HydrophobicContact CG2-CG1 4.39Å; I47-I49 WeakPolarHBondContact O-CD1 3.49Å; I47-R152 WeakPolarHBondContact CA-O 3.34Å; I47-R152 HydrophobicContact CG1-CB 4.17Å; I47-R152 HydrophobicContact CG1-CG 4.49Å; I47-A154 HydrophobicContact CG2-CB 3.93Å; I47-F172 HydrophobicContact CG2-CE2 3.75Å; I47-F172 HydrophobicContact CG2-CZ 4.22Å; I47-L175 HydrophobicContact CD1-CD2 4.47Å; I47-L175 HydrophobicContact CD1-CG 4.12Å; I47-L175 HydrophobicContact CG2-CD2 4.1Å; I47-V176 HydrophobicContact CD1-CB 4.31Å; I47-V176 HydrophobicContact CD1-CG2 3.74Å; I47-T179 HydrophobicContact CD1-CG2 4.33Å; I47-T179 HydrophobicContact CG1-CG2 4.04Å; I47-V188 HydrophobicContact CD1-CG1 3.8Å; I47-V188 HydrophobicContact CG1-CG1 3.82Å; I47-V189 PolarHBondContact N-O 3.44Å; I47-L190 HydrophobicContact CB-CD2 4.16Å; I47-L190 HydrophobicContact CD1-CD2 4.04Å; I47-L190 HydrophobicContact CG1-CD2 4.49Å; I47-L191 PolarHBondContact O-N 3.05Å
48	L	98.8	Very high	88.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.3	179.3	-54.4	178.1	0	0	0	110	I46 T117 F132 L135 V136 R152 A154 L191	I46-L48 HydrophobicContact CD1-CD2 3.76Å; I46-L48 HydrophobicContact CG1-CD2 4.05Å; L48-T117 HydrophobicContact CD1-CG2 4.3Å; L48-F132 HydrophobicContact CB-CD2 4.04Å; L48-F132 HydrophobicContact CB-CE2 3.92Å; L48-F132 HydrophobicContact CB-CG 4.41Å; L48-F132 HydrophobicContact CB-CZ 4.18Å; L48-F132 HydrophobicContact CD1-CB 3.98Å; L48-F132 HydrophobicContact CD1-CD1 4.3Å; L48-F132 HydrophobicContact CD1-CD2 4.31Å; L48-F132 HydrophobicContact CD1-CG 3.98Å; L48-F132 HydrophobicContact CD2-CD1 4.34Å; L48-F132 HydrophobicContact CD2-CE1 4.31Å; L48-L135 HydrophobicContact CD2-CD2 3.96Å; L48-V136 HydrophobicContact CD1-CG2 3.55Å; L48-R152 PolarHBondContact N-O 3.42Å; L48-A154 PolarHBondContact O-N 3.28Å; L48-L191 HydrophobicContact CD2-CB 4.1Å; L48-L191 HydrophobicContact CD2-CD1 4.01Å
49	I	98.7	Very high	90	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	110	-177.7	-49.5	88.6	0	0	0	108.7	I47 A154 Y156 F168 F172 L190 L191 H193	I47-I49 HydrophobicContact CG2-CD1 4.27Å; I47-I49 HydrophobicContact CG2-CG1 4.39Å; I47-I49 WeakPolarHBondContact O-CD1 3.49Å; I49-A154 HydrophobicContact CG1-CB 4.28Å; I49-Y156 HydrophobicContact CG2-CD1 4.4Å; I49-Y156 HydrophobicContact CG2-CE1 3.92Å; I49-F168 HydrophobicContact CG2-CZ 4.17Å; I49-F172 HydrophobicContact CD1-CE2 4.25Å; I49-F172 HydrophobicContact CD1-CZ 3.89Å; I49-F172 HydrophobicContact CG1-CE2 3.65Å; I49-F172 HydrophobicContact CG1-CZ 3.7Å; I49-L190 HydrophobicContact CD1-CB 4.17Å; I49-L191 WeakPolarHBondContact CD1-O 3.19Å; I49-L191 PolarHBondContact N-O 3.09Å; I49-H193 PolarHBondContact O-N 3.11Å
50	P	98.1	Very high	91.9	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.14	C	C	.	.			trans	-73.5	165	-173.2	31	-36.3	0	0	0	113.3	G54 V120 Y131 F132 A154 Y156 H193 G196	P50-G54 WeakPolarHBondContact CB-O 3.06Å; P50-V120 HydrophobicContact CB-CG1 4.19Å; P50-V120 HydrophobicContact CG-CG1 3.84Å; P50-Y131 HydrophobicContact CB-CD1 4.49Å; P50-Y131 HydrophobicContact CB-CE1 3.69Å; P50-F132 HydrophobicContact CB-CE2 4.4Å; P50-A154 WeakPolarHBondContact CD-O 3.37Å; P50-Y156 HydrophobicContact CG-CD1 4.22Å; P50-Y156 HydrophobicContact CG-CE1 3.89Å; P50-Y156 WeakPolarHBondContact O-CE1 3.39Å; P50-Y156 VanDerWaalsContact O-CZ 3.28Å; P50-Y156 PolarHBondContact O-OH 3Å; P50-H193 CarbonylContact C-O 3.5Å; P50-G196 WeakPolarHBondContact O-CA 3.4Å; P50-G196 PolarHBondContact O-N 3.4Å; P50-G196 VanDerWaalsContact O-N 3.16Å
51	G	97.2	Very high	93.6	Very high	1 Å²	1	19 Å²	19	1%	0.01	10%	0.102	C	C	.	.			trans	-88.3	-168.2	171.5	0	0	0	0	0	113.2	G53 G54 Y131 H193	G51-G53 PolarHBondContact O-N 3.46Å; G51-G54 PolarHBondContact O-N 3.31Å; G51-Y131 WeakPolarHBondContact CA-OH 3.34Å; G51-Y131 PolarHBondContact N-OH 3.45Å; G51-H193 WeakPolarHBondContact CA-O 3.34Å; G51-H193 PolarHBondContact N-O 3.09Å
52	M	94.1	Very high	94.2	Very high	64 Å²	64	21.4 Å²	21.4	32%	0.315	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	127.5	175.6	-165.1	-174.4	-64.2	0	0	110.4	G54 F158 L195 V261 V264	M52-G54 PolarHBondContact O-N 3.45Å; M52-F158 HydrophobicContact CG-CD2 4.17Å; M52-L195 HydrophobicContact CB-CB 4.44Å; M52-L195 HydrophobicContact CB-CD2 4.04Å; M52-L195 HydrophobicContact CE-CD2 4.48Å; M52-L195 HydrophobicContact CG-CD2 4.49Å; M52-V261 HydrophobicContact CE-CB 4.42Å; M52-V261 HydrophobicContact CE-CG2 3.7Å; M52-V261 HydrophobicContact SD-CG2 3.91Å; M52-V264 HydrophobicContact CE-CG2 4.45Å
53	G	91.6	Very high	94	Very high	6 Å²	6	22.2 Å²	22.2	6%	0.062	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	1.9	-175.3	0	0	0	0	0	115.3	G51 S55 W74 F158	G51-G53 PolarHBondContact O-N 3.46Å; G53-S55 PolarHBondContact O-N 3.24Å; G53-W74 VanDerWaalsContact CA-NE1 3.32Å; G53-W74 PolarHBondContact O-NE1 2.87Å; G53-F158 VanDerWaalsContact N-CG 3.31Å
54	G	93.1	Very high	92.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.			trans	-80.9	16.8	-174.2	0	0	0	0	0	115.6	P50 G51 M52 L123	P50-G54 WeakPolarHBondContact CB-O 3.06Å; G51-G54 PolarHBondContact O-N 3.31Å; M52-G54 PolarHBondContact O-N 3.45Å; G54-L123 WeakPolarHBondContact O-CD2 3.47Å
55	S	92.8	Very high	90.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-143.9	159.7	168.4	68.8	0	0	0	0	111.1	G53 W74 S119 F158	G53-S55 PolarHBondContact O-N 3.24Å; S55-W74 VanDerWaalsContact O-CD1 3.29Å; S55-S119 VanDerWaalsContact CA-O 3.29Å; S55-S119 WeakPolarHBondContact CA-O 3.25Å; S55-F158 WeakPolarHBondContact O-CE1 3.46Å
56	Q	91.6	Very high	89.1	Confident	4 Å²	4	33 Å²	33	2%	0.019	19%	0.193	C	C	.	.			trans	-63.7	148.8	170.4	-59.9	-179.6	24.4	0	0	111.2	Y58 W74 S119 Y122	Q56-Y58 HydrophobicContact CB-CE2 4.08Å; Q56-Y58 PolarHBondContact OE1-OH 3.34Å; Q56-W74 WeakPolarHBondContact CA-O 3.43Å; Q56-S119 PolarHBondContact N-O 2Å; Q56-Y122 PolarHBondContact NE2-O 3.05Å
57	A	92.3	Very high	87.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.6	171.2	0	0	0	0	0	111	L73 W74 V109 T110 F111 F158	A57-L73 PolarHBondContact O-N 3.37Å; A57-W74 HydrophobicContact CB-CB 3.93Å; A57-W74 PolarHBondContact N-O 2.92Å; A57-W74 PolarHBondContact O-N 3.07Å; A57-V109 HydrophobicContact CB-CG1 4.36Å; A57-T110 CarbonylContact C-O 3.55Å; A57-T110 WeakPolarHBondContact CA-O 3.36Å; A57-F111 HydrophobicContact CB-CD1 3.75Å; A57-F111 HydrophobicContact CB-CE1 3.45Å; A57-F111 VanDerWaalsContact CB-CE1 3.45Å; A57-F111 HydrophobicContact CB-CZ 4.07Å; A57-F158 HydrophobicContact CB-CE1 4.44Å
58	Y	92.8	Very high	86.8	Confident	34 Å²	34	45.5 Å²	45.5	13%	0.133	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.9	-176.6	-76.5	-103.4	0	0	0	110.8	Q56 F71 N72 V109 T110 P112 Q125	Q56-Y58 HydrophobicContact CB-CE2 4.08Å; Q56-Y58 PolarHBondContact OE1-OH 3.34Å; Y58-F71 CarbonylContact C-O 3.25Å; Y58-F71 VanDerWaalsContact CA-O 3.25Å; Y58-F71 WeakPolarHBondContact CA-O 3.39Å; Y58-F71 VanDerWaalsContact CD1-C 3.49Å; Y58-F71 WeakPolarHBondContact CD1-O 3.49Å; Y58-N72 HydrophobicContact CD1-CB 4.42Å; Y58-N72 HydrophobicContact CE1-CB 3.95Å; Y58-V109 WeakPolarHBondContact O-CA 3.3Å; Y58-T110 PolarHBondContact N-O 2.92Å; Y58-T110 PolarHBondContact O-N 3.11Å; Y58-T110 PolarHBondContact O-OG1 2.86Å; Y58-P112 HydrophobicContact CD2-CG 3.66Å; Y58-P112 HydrophobicContact CE2-CG 3.78Å; Y58-Q125 PolarHBondContact OH-NE2 2.93Å
59	C	92.3	Very high	86.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.1	171	-175	0	0	0	0	110.7	P70 F71 L73 C107	C59-P70 CarbonylContact O-C 3.39Å; C59-P70 WeakPolarHBondContact O-CA 3.41Å; C59-F71 HydrophobicContact CB-CD1 4.2Å; C59-F71 HydrophobicContact CB-CD2 4.17Å; C59-F71 HydrophobicContact CB-CE1 3.71Å; C59-F71 HydrophobicContact CB-CE2 3.68Å; C59-F71 HydrophobicContact CB-CG 4.42Å; C59-F71 HydrophobicContact CB-CZ 3.43Å; C59-F71 VanDerWaalsContact CB-CZ 3.43Å; C59-F71 PolarHBondContact N-O 3.22Å; C59-F71 PolarHBondContact O-N 3.37Å; C59-L73 HydrophobicContact CB-CB 4.22Å; C59-L73 HydrophobicContact CB-CD1 4.39Å; C59-L73 HydrophobicContact CB-CD2 4.14Å; C59-L73 HydrophobicContact CB-CG 4.5Å; C59-C107 WeakPolarHBondContact CA-SG 3.44Å; C59-C107 HydrophobicContact CB-CB 4.46Å; C59-C107 WeakPolarHBondContact CB-SG 3.31Å; C59-C107 WeakPolarHBondContact SG-CB 3.25Å; C59-C107 CovalentContact SG-SG 2.03Å; C59-C107 PolarHBondContact SG-SG 3.25Å
60	K	92.1	Very high	85.7	Confident	94 Å²	94	53.5 Å²	53.5	41%	0.409	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.3	162.6	174.8	-178	159.4	-145.9	0	107.7	P70 E108	K60-P70 HydrophobicContact CB-CB 4.36Å; K60-P70 HydrophobicContact CB-CG 4.17Å; K60-P70 HydrophobicContact CG-CG 4.4Å; K60-E108 HydrophobicContact CB-CB 4.31Å; K60-E108 WeakPolarHBondContact CD-OE2 3.37Å; K60-E108 WeakPolarHBondContact CE-OE2 3.4Å; K60-E108 PolarHBondContact N-O 3.1Å; K60-E108 IonicContact NZ-OE2 3.75Å; K60-E108 PolarHBondContact NZ-OE2 3.27Å; K60-E108 PolarHBondContact O-N 2.88Å
61	P	90	Very high	85.2	Confident	19 Å²	19	56.4 Å²	56.4	12%	0.123	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	144	-179.3	-25.1	34.2	0	0	0	112.7	F68 F71 E106	P61-F68 HydrophobicContact CG-CB 4.45Å; P61-F71 HydrophobicContact CG-CD1 4.46Å; P61-F71 HydrophobicContact CG-CE1 3.95Å; P61-E106 WeakPolarHBondContact CA-O 3.29Å
62	K	89.4	Confident	84.8	Confident	90 Å²	90	57.5 Å²	57.5	39%	0.391	33%	0.332	S	S	.	.			trans	-94.6	-9.8	179.6	-78.1	171.6	172.7	157	0	114.3	V64 D103 S104 N105 E106 C107	K62-V64 PolarHBondContact O-N 3.17Å; K62-D103 VanDerWaalsContact NZ-CB 3.35Å; K62-S104 PolarHBondContact NZ-O 3.41Å; K62-N105 VanDerWaalsContact CB-O 3.24Å; K62-N105 WeakPolarHBondContact CB-O 3.2Å; K62-N105 VanDerWaalsContact CD-O 3.28Å; K62-N105 WeakPolarHBondContact CD-O 3.37Å; K62-E106 PolarHBondContact N-O 2.83Å; K62-C107 VanDerWaalsContact CE-C 3.48Å; K62-C107 WeakPolarHBondContact CE-O 3.45Å; K62-C107 PolarHBondContact NZ-O 3.02Å
63	D	82.2	Confident	84.5	Confident	106 Å²	106	54.6 Å²	54.6	57%	0.567	32%	0.318	S	S	*	.	S	Bend	trans	-57.4	132.6	-175.5	-67.2	-33.4	0	0	0	112.4	G65 S66	D63-G65 PolarHBondContact O-N 3.17Å; D63-S66 VanDerWaalsContact O-CB 3.22Å; D63-S66 WeakPolarHBondContact O-CB 3.41Å; D63-S66 PolarHBondContact O-N 3.12Å
64	V	59.3	Low	84.2	Confident	160 Å²	160	56.7 Å²	56.7	97%	0.97	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	110.5	-175.9	-177.1	0	0	0	0	109.8	K62	K62-V64 PolarHBondContact O-N 3.17Å
65	G	64.2	Low	83.4	Confident	75 Å²	75	57.2 Å²	57.2	77%	0.773	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.7	-2.4	-174.7	0	0	0	0	0	114.7	D63 S67	D63-G65 PolarHBondContact O-N 3.17Å; G65-S67 PolarHBondContact O-N 2.96Å
66	S	62.1	Low	82.4	Confident	38 Å²	38	59.1 Å²	59.1	27%	0.266	34%	0.337	S	S	.	.			trans	-63.8	102.7	171.5	171.2	0	0	0	0	111.5	D63 F68	D63-S66 VanDerWaalsContact O-CB 3.22Å; D63-S66 WeakPolarHBondContact O-CB 3.41Å; D63-S66 PolarHBondContact O-N 3.12Å; S66-F68 PolarHBondContact OG-N 3.18Å
67	S	71.8	Confident	81.4	Confident	116 Å²	116	63.6 Å²	63.6	81%	0.811	36%	0.357	S	S	*	.			trans	-84	5.8	163.7	57.4	0	0	0	0	113	G65	G65-S67 PolarHBondContact O-N 2.96Å
68	F	78.2	Confident	80.4	Confident	148 Å²	148	68.6 Å²	68.6	65%	0.649	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-64.8	131.1	-178.2	-70.2	-75.7	0	0	0	111.3	P61 S66	P61-F68 HydrophobicContact CG-CB 4.45Å; S66-F68 PolarHBondContact OG-N 3.18Å
69	P	84.4	Confident	79.5	Confident	96 Å²	96	68.6 Å²	68.6	62%	0.623	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-66.4	154.9	174.7	29.7	-35.2	0	0	0	110.6	F71	P69-F71 PolarHBondContact O-N 2.9Å
70	P	89.5	Confident	78.5	Confident	72 Å²	72	70.4 Å²	70.4	47%	0.468	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-56.9	131.3	174.3	-23.8	33.6	0	0	0	111.7	C59 K60	C59-P70 CarbonylContact O-C 3.39Å; C59-P70 WeakPolarHBondContact O-CA 3.41Å; K60-P70 HydrophobicContact CB-CB 4.36Å; K60-P70 HydrophobicContact CB-CG 4.17Å; K60-P70 HydrophobicContact CG-CG 4.4Å
71	F	88.6	Confident	77.4	Confident	61 Å²	61	70.7 Å²	70.7	27%	0.268	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.7	-178	64.5	-95.9	0	0	0	111.9	Y58 C59 P61 P69 L73 H79 Y89	Y58-F71 CarbonylContact C-O 3.25Å; Y58-F71 VanDerWaalsContact CA-O 3.25Å; Y58-F71 WeakPolarHBondContact CA-O 3.39Å; Y58-F71 VanDerWaalsContact CD1-C 3.49Å; Y58-F71 WeakPolarHBondContact CD1-O 3.49Å; C59-F71 HydrophobicContact CB-CD1 4.2Å; C59-F71 HydrophobicContact CB-CD2 4.17Å; C59-F71 HydrophobicContact CB-CE1 3.71Å; C59-F71 HydrophobicContact CB-CE2 3.68Å; C59-F71 HydrophobicContact CB-CG 4.42Å; C59-F71 HydrophobicContact CB-CZ 3.43Å; C59-F71 VanDerWaalsContact CB-CZ 3.43Å; C59-F71 PolarHBondContact N-O 3.22Å; C59-F71 PolarHBondContact O-N 3.37Å; P61-F71 HydrophobicContact CG-CD1 4.46Å; P61-F71 HydrophobicContact CG-CE1 3.95Å; P69-F71 PolarHBondContact O-N 2.9Å; F71-L73 HydrophobicContact CE2-CD1 4.21Å; F71-L73 PolarHBondContact O-N 3Å; F71-L73 VanDerWaalsContact O-N 3.15Å; F71-H79 AromaticContact CD2-CE1 3.96Å; F71-H79 AromaticContact CE2-CE1 3.73Å; F71-Y89 HydrophobicContact CE2-CD2 4.43Å; F71-Y89 AromaticContact CZ-CD2 3.89Å; F71-Y89 HydrophobicContact CZ-CD2 3.89Å; F71-Y89 AromaticContact CZ-CE2 3.88Å; F71-Y89 HydrophobicContact CZ-CE2 3.88Å; F71-Y89 HydrophobicContact CZ-CG 4.33Å
72	N	88.2	Confident	76.6	Confident	24 Å²	24	73.1 Å²	73.1	13%	0.128	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	114.9	178.6	-178.1	-91.5	0	0	0	110.5	Y58 W74 I75 N76 H79	Y58-N72 HydrophobicContact CD1-CB 4.42Å; Y58-N72 HydrophobicContact CE1-CB 3.95Å; N72-W74 PolarHBondContact ND2-O 3.05Å; N72-W74 PolarHBondContact OD1-N 2.66Å; N72-I75 PolarHBondContact OD1-O 3.25Å; N72-N76 PolarHBondContact O-ND2 2.84Å; N72-N76 VanDerWaalsContact O-ND2 3.09Å; N72-H79 PolarHBondContact O-CE1 3.26Å; N72-H79 VanDerWaalsContact O-CE1 3.23Å
73	L	87.1	Confident	75.7	Confident	3 Å²	3	69 Å²	69	2%	0.016	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-37.7	177.5	-171.2	60.6	0	0	0	110.5	A57 C59 F71 H79 V86 F90 V109	A57-L73 PolarHBondContact O-N 3.37Å; C59-L73 HydrophobicContact CB-CB 4.22Å; C59-L73 HydrophobicContact CB-CD1 4.39Å; C59-L73 HydrophobicContact CB-CD2 4.14Å; C59-L73 HydrophobicContact CB-CG 4.5Å; F71-L73 HydrophobicContact CE2-CD1 4.21Å; F71-L73 PolarHBondContact O-N 3Å; F71-L73 VanDerWaalsContact O-N 3.15Å; L73-H79 PolarHBondContact O-ND1 3.23Å; L73-V86 HydrophobicContact CD1-CG1 4.16Å; L73-F90 HydrophobicContact CD2-CB 4.08Å; L73-F90 HydrophobicContact CD2-CD2 3.42Å; L73-F90 VanDerWaalsContact CD2-CD2 3.42Å; L73-F90 HydrophobicContact CD2-CE2 4.17Å; L73-F90 HydrophobicContact CD2-CG 4.11Å; L73-F90 HydrophobicContact CG-CD2 3.99Å; L73-F90 HydrophobicContact CG-CG 4.46Å; L73-V109 HydrophobicContact CD2-CG1 4.09Å; L73-V109 HydrophobicContact CD2-CG2 4.03Å
74	W	85.4	Confident	75.4	Confident	51 Å²	51	68.8 Å²	68.8	19%	0.193	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.9	-177.8	-179.2	-91.8	0	0	0	112.1	G53 S55 Q56 A57 N72 F90 F158	G53-W74 VanDerWaalsContact CA-NE1 3.32Å; G53-W74 PolarHBondContact O-NE1 2.87Å; S55-W74 VanDerWaalsContact O-CD1 3.29Å; Q56-W74 WeakPolarHBondContact CA-O 3.43Å; A57-W74 HydrophobicContact CB-CB 3.93Å; A57-W74 PolarHBondContact N-O 2.92Å; A57-W74 PolarHBondContact O-N 3.07Å; N72-W74 PolarHBondContact ND2-O 3.05Å; N72-W74 PolarHBondContact OD1-N 2.66Å; W74-F90 HydrophobicContact CB-CZ 4.49Å; W74-F90 HydrophobicContact CE3-CE1 4.41Å; W74-F90 HydrophobicContact CE3-CZ 4.45Å; W74-F158 HydrophobicContact CB-CZ 4.46Å; W74-F158 AromaticContact CD1-CE1 3.83Å; W74-F158 AromaticContact CD1-CZ 3.44Å; W74-F158 VanDerWaalsContact CD1-CZ 3.44Å; W74-F158 HydrophobicContact CD2-CZ 4.18Å; W74-F158 AromaticContact CG-CZ 3.81Å; W74-F158 HydrophobicContact CG-CZ 3.81Å; W74-F158 AromaticContact NE1-CZ 3.59Å
75	I	76.2	Confident	75.9	Confident	10 Å²	10	68.6 Å²	68.6	5%	0.051	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.2	121.2	-11.6	-70.5	178.7	0	0	0	110.4	N72 F77 I80 L123 S124 F129	N72-I75 PolarHBondContact OD1-O 3.25Å; I75-F77 HydrophobicContact CG2-CE2 4.42Å; I75-I80 HydrophobicContact CG2-CD1 4.14Å; I75-L123 HydrophobicContact CD1-CB 3.79Å; I75-L123 HydrophobicContact CD1-CD1 3.9Å; I75-L123 HydrophobicContact CG1-CB 4.27Å; I75-L123 PolarHBondContact N-O 2.83Å; I75-S124 PolarHBondContact O-OG 2.82Å; I75-F129 HydrophobicContact CD1-CD1 3.56Å; I75-F129 HydrophobicContact CD1-CE1 3.56Å
76	N	72.7	Confident	76.3	Confident	41 Å²	41	65.8 Å²	65.8	22%	0.219	34%	0.342	C	S	.	.			trans	-127.1	117	178.8	-178.5	-30.4	0	0	0	109.3	N72 L78 H79 I80	N72-N76 PolarHBondContact O-ND2 2.84Å; N72-N76 VanDerWaalsContact O-ND2 3.09Å; N76-L78 VanDerWaalsContact C-N 3.34Å; N76-L78 PolarHBondContact O-N 3.13Å; N76-L78 WeakPolarHBondContact OD1-CB 3.4Å; N76-L78 PolarHBondContact OD1-N 3.45Å; N76-H79 HydrophobicContact CB-CB 3.96Å; N76-H79 PolarHBondContact ND2-CE1 3.1Å; N76-H79 VanDerWaalsContact ND2-CE1 3.28Å; N76-H79 PolarHBondContact ND2-ND1 3.42Å; N76-H79 WeakPolarHBondContact O-CB 3.31Å; N76-H79 PolarHBondContact O-N 3.12Å; N76-H79 PolarHBondContact OD1-N 3.38Å; N76-I80 PolarHBondContact O-N 3.29Å; N76-I80 VanDerWaalsContact O-N 3.08Å
77	F	71.4	Confident	77.1	Confident	98 Å²	98	66.5 Å²	66.5	43%	0.43	34%	0.34	S	S	.	.	H	α-helix	trans	-67.3	-32	-176.5	-75.1	-88.8	0	0	0	113.2	I75 H79 I80 L81 I127	I75-F77 HydrophobicContact CG2-CE2 4.42Å; F77-H79 VanDerWaalsContact C-N 3.28Å; F77-H79 PolarHBondContact O-N 3.46Å; F77-I80 PolarHBondContact O-N 3.28Å; F77-L81 WeakPolarHBondContact O-CG 3.22Å; F77-L81 PolarHBondContact O-N 3.25Å; F77-I127 HydrophobicContact CD2-CD1 3.56Å; F77-I127 HydrophobicContact CE2-CB 4.31Å; F77-I127 HydrophobicContact CE2-CD1 3.39Å; F77-I127 HydrophobicContact CE2-CG1 4.43Å; F77-I127 HydrophobicContact CE2-CG2 4.29Å; F77-I127 HydrophobicContact CZ-CD1 4.28Å
78	L	71.4	Confident	77.7	Confident	105 Å²	105	64 Å²	64	55%	0.55	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-37.8	175.3	-174.3	66.1	0	0	0	110.7	N76 L81 L82	N76-L78 VanDerWaalsContact C-N 3.34Å; N76-L78 PolarHBondContact O-N 3.13Å; N76-L78 WeakPolarHBondContact OD1-CB 3.4Å; N76-L78 PolarHBondContact OD1-N 3.45Å; L78-L81 PolarHBondContact O-N 3.33Å; L78-L82 HydrophobicContact CD1-CD1 3.71Å; L78-L82 HydrophobicContact CD1-CG 4.33Å; L78-L82 HydrophobicContact CG-CD1 4.12Å; L78-L82 WeakPolarHBondContact O-CB 3.46Å; L78-L82 PolarHBondContact O-N 3.31Å
79	H	73.5	Confident	78.2	Confident	34 Å²	34	60.3 Å²	60.3	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-42.2	173.6	-69.7	173.8	0	0	0	112.1	F71 N72 L73 N76 F77 L81 L82 P83 V86	F71-H79 AromaticContact CD2-CE1 3.96Å; F71-H79 AromaticContact CE2-CE1 3.73Å; N72-H79 PolarHBondContact O-CE1 3.26Å; N72-H79 VanDerWaalsContact O-CE1 3.23Å; L73-H79 PolarHBondContact O-ND1 3.23Å; N76-H79 HydrophobicContact CB-CB 3.96Å; N76-H79 PolarHBondContact ND2-CE1 3.1Å; N76-H79 VanDerWaalsContact ND2-CE1 3.28Å; N76-H79 PolarHBondContact ND2-ND1 3.42Å; N76-H79 WeakPolarHBondContact O-CB 3.31Å; N76-H79 PolarHBondContact O-N 3.12Å; N76-H79 PolarHBondContact OD1-N 3.38Å; F77-H79 VanDerWaalsContact C-N 3.28Å; F77-H79 PolarHBondContact O-N 3.46Å; H79-L81 VanDerWaalsContact C-N 3.28Å; H79-L81 PolarHBondContact O-N 2.68Å; H79-L82 CarbonylContact O-C 3.56Å; H79-L82 PolarHBondContact O-N 3.23Å; H79-P83 WeakPolarHBondContact O-CA 3.18Å; H79-V86 VanDerWaalsContact CA-CG2 3.44Å; H79-V86 HydrophobicContact CB-CB 4.44Å; H79-V86 HydrophobicContact CB-CG1 4.23Å; H79-V86 HydrophobicContact CB-CG2 3.34Å; H79-V86 WeakPolarHBondContact O-CG2 3.41Å
80	I	70.5	Confident	78.4	Confident	37 Å²	37	56.3 Å²	56.3	19%	0.19	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-38.7	174.1	-65.5	168.3	0	0	0	111	I75 N76 F77 V243 Y251	I75-I80 HydrophobicContact CG2-CD1 4.14Å; N76-I80 PolarHBondContact O-N 3.29Å; N76-I80 VanDerWaalsContact O-N 3.08Å; F77-I80 PolarHBondContact O-N 3.28Å; I80-V243 HydrophobicContact CG2-CG2 3.99Å; I80-Y251 PolarHBondContact O-OH 2.73Å
81	L	70.3	Confident	78.5	Confident	100 Å²	100	55.3 Å²	55.3	52%	0.524	26%	0.26	S	S	.	.	H	α-helix	trans	-79.7	-24.1	-179.4	-68.7	172.5	0	0	0	114.8	F77 L78 H79 P83 R246	F77-L81 WeakPolarHBondContact O-CG 3.22Å; F77-L81 PolarHBondContact O-N 3.25Å; L78-L81 PolarHBondContact O-N 3.33Å; H79-L81 VanDerWaalsContact C-N 3.28Å; H79-L81 PolarHBondContact O-N 2.68Å; L81-P83 VanDerWaalsContact C-CD 3.4Å; L81-P83 WeakPolarHBondContact O-CD 3.24Å; L81-R246 PolarHBondContact O-NE 3.09Å; L81-R246 VanDerWaalsContact O-NE 3.15Å; L81-R246 PolarHBondContact O-NH2 3.44Å
82	L	72.8	Confident	78.8	Confident	71 Å²	71	52.6 Å²	52.6	37%	0.372	25%	0.248	S	C	.	.			trans	-124.4	59.3	-179.4	-60.4	177.4	0	0	0	111.1	L78 H79 E84 K85	L78-L82 HydrophobicContact CD1-CD1 3.71Å; L78-L82 HydrophobicContact CD1-CG 4.33Å; L78-L82 HydrophobicContact CG-CD1 4.12Å; L78-L82 WeakPolarHBondContact O-CB 3.46Å; L78-L82 PolarHBondContact O-N 3.31Å; H79-L82 CarbonylContact O-C 3.56Å; H79-L82 PolarHBondContact O-N 3.23Å; L82-E84 PolarHBondContact O-N 2.83Å; L82-E84 VanDerWaalsContact O-N 3.11Å; L82-K85 PolarHBondContact O-N 2.78Å
83	P	70.4	Confident	79.1	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-18.3	-167.8	28.7	-37	0	0	0	113.8	H79 L81 K85 V86 F87 V250 Y251	H79-P83 WeakPolarHBondContact O-CA 3.18Å; L81-P83 VanDerWaalsContact C-CD 3.4Å; L81-P83 WeakPolarHBondContact O-CD 3.24Å; P83-K85 PolarHBondContact O-N 3.17Å; P83-V86 WeakPolarHBondContact O-CB 3.27Å; P83-V86 PolarHBondContact O-N 2.99Å; P83-F87 PolarHBondContact O-N 2.94Å; P83-V250 HydrophobicContact CB-CB 4.21Å; P83-V250 HydrophobicContact CB-CG1 3.7Å; P83-V250 HydrophobicContact CG-CB 3.92Å; P83-V250 HydrophobicContact CG-CG1 3.81Å; P83-V250 HydrophobicContact CG-CG2 4.43Å; P83-Y251 HydrophobicContact CB-CD1 4.27Å; P83-Y251 HydrophobicContact CB-CE1 3.81Å; P83-Y251 HydrophobicContact CG-CE1 4.05Å
84	E	75.2	Confident	79.5	Confident	100 Å²	100	55 Å²	55	47%	0.467	26%	0.258	S	S	.	.	H	α-helix	trans	-57.7	-44.5	179.1	-63.4	122.5	-175	0	0	112.1	L82 V86 R246 V250	L82-E84 PolarHBondContact O-N 2.83Å; L82-E84 VanDerWaalsContact O-N 3.11Å; E84-V86 VanDerWaalsContact C-N 3.28Å; E84-V86 PolarHBondContact O-N 3.31Å; E84-R246 IonicContact OE1-CZ 3.05Å; E84-R246 IonicContact OE1-NH1 3.84Å; E84-R246 PolarHBondContact OE1-NH1 3.25Å; E84-R246 IonicContact OE2-NH1 3.3Å; E84-V250 HydrophobicContact CG-CG1 4.42Å; E84-V250 HydrophobicContact CG-CG2 4.46Å
85	K	70.1	Confident	79.9	Confident	157 Å²	157	54.7 Å²	54.7	68%	0.683	26%	0.261	S	S	*	.	H	α-helix	trans	-73.3	-22	176.7	-66.1	-168.8	176.8	-171.6	0	113.3	L82 P83 Y89	L82-K85 PolarHBondContact O-N 2.78Å; P83-K85 PolarHBondContact O-N 3.17Å; K85-Y89 WeakPolarHBondContact O-CD2 3.31Å
86	V	72.7	Confident	80.6	Confident	16 Å²	16	58.5 Å²	58.5	10%	0.097	29%	0.286	C	S	.	.	H	α-helix	trans	-84.6	-32.1	-176.4	-173.6	0	0	0	0	110.4	L73 H79 P83 E84 D88 Y89 F90	L73-V86 HydrophobicContact CD1-CG1 4.16Å; H79-V86 VanDerWaalsContact CA-CG2 3.44Å; H79-V86 HydrophobicContact CB-CB 4.44Å; H79-V86 HydrophobicContact CB-CG1 4.23Å; H79-V86 HydrophobicContact CB-CG2 3.34Å; H79-V86 WeakPolarHBondContact O-CG2 3.41Å; P83-V86 WeakPolarHBondContact O-CB 3.27Å; P83-V86 PolarHBondContact O-N 2.99Å; E84-V86 VanDerWaalsContact C-N 3.28Å; E84-V86 PolarHBondContact O-N 3.31Å; V86-D88 VanDerWaalsContact C-N 3.32Å; V86-D88 PolarHBondContact O-N 3.47Å; V86-Y89 PolarHBondContact O-N 2.93Å; V86-F90 HydrophobicContact CG1-CB 4.03Å; V86-F90 WeakPolarHBondContact O-CB 3.19Å; V86-F90 PolarHBondContact O-N 3.49Å
87	F	78.3	Confident	81.5	Confident	52 Å²	52	64.3 Å²	64.3	23%	0.228	31%	0.312	C	S	.	.	H	α-helix	trans	-50.4	-52.1	175.6	175.5	-105.5	0	0	0	111.1	P83 Y89 F90 R91 D253 V254	P83-F87 PolarHBondContact O-N 2.94Å; F87-Y89 VanDerWaalsContact C-N 3.34Å; F87-Y89 PolarHBondContact O-N 3.22Å; F87-F90 PolarHBondContact O-N 3.03Å; F87-R91 HydrophobicContact CD2-CB 4.43Å; F87-R91 HydrophobicContact CE2-CB 4.3Å; F87-R91 WeakPolarHBondContact O-CB 3.34Å; F87-R91 WeakPolarHBondContact O-CD 3.22Å; F87-R91 WeakPolarHBondContact O-CG 3.32Å; F87-R91 PolarHBondContact O-N 3.01Å; F87-D253 HydrophobicContact CD2-CB 4.33Å; F87-D253 HydrophobicContact CE2-CB 3.79Å; F87-D253 HydrophobicContact CZ-CB 4.43Å; F87-V254 HydrophobicContact CB-CG2 4.24Å; F87-V254 HydrophobicContact CD2-CG2 3.7Å; F87-V254 HydrophobicContact CG-CG2 4.46Å
88	D	84.8	Confident	82.4	Confident	63 Å²	63	62.8 Å²	62.8	34%	0.337	31%	0.311	S	S	.	.	H	α-helix	trans	-65.2	-32.7	-177.9	-67.7	-38.3	0	0	0	113.6	V86 R91 S104 E106	V86-D88 VanDerWaalsContact C-N 3.32Å; V86-D88 PolarHBondContact O-N 3.47Å; D88-R91 IonicContact OD1-CZ 3.65Å; D88-R91 IonicContact OD1-NE 3.63Å; D88-R91 IonicContact OD1-NH1 3.66Å; D88-R91 PolarHBondContact OD1-NH1 3.09Å; D88-R91 IonicContact OD1-NH2 2.68Å; D88-R91 PolarHBondContact OD1-NH2 2.9Å; D88-S104 WeakPolarHBondContact O-CB 3.49Å; D88-S104 PolarHBondContact O-OG 3.43Å; D88-E106 HydrophobicContact CB-CG 4.19Å
89	Y	88.6	Confident	83.4	Confident	72 Å²	72	60.9 Å²	60.9	28%	0.282	30%	0.296	S	S	.	.	H	α-helix	trans	-82.4	-33.3	176.6	-60.4	-46.5	0	0	0	114.3	F71 K85 V86 F87 E106 C107 V109	F71-Y89 HydrophobicContact CE2-CD2 4.43Å; F71-Y89 AromaticContact CZ-CD2 3.89Å; F71-Y89 HydrophobicContact CZ-CD2 3.89Å; F71-Y89 AromaticContact CZ-CE2 3.88Å; F71-Y89 HydrophobicContact CZ-CE2 3.88Å; F71-Y89 HydrophobicContact CZ-CG 4.33Å; K85-Y89 WeakPolarHBondContact O-CD2 3.31Å; V86-Y89 PolarHBondContact O-N 2.93Å; F87-Y89 VanDerWaalsContact C-N 3.34Å; F87-Y89 PolarHBondContact O-N 3.22Å; Y89-E106 HydrophobicContact CD1-CB 3.87Å; Y89-E106 HydrophobicContact CE1-CB 4.12Å; Y89-C107 HydrophobicContact CD1-CB 4.02Å; Y89-C107 HydrophobicContact CG-CB 4.47Å; Y89-C107 WeakPolarHBondContact O-CB 3.48Å; Y89-V109 WeakPolarHBondContact O-CG2 3.45Å
90	F	89.1	Confident	84.4	Confident	11 Å²	11	63 Å²	63	5%	0.048	31%	0.306	C	S	.	.	H	α-helix	trans	-101.7	-25	-166.9	-161.8	-139.4	0	0	0	113.5	L73 W74 V86 F87 F158 R159 V254 M258	L73-F90 HydrophobicContact CD2-CB 4.08Å; L73-F90 HydrophobicContact CD2-CD2 3.42Å; L73-F90 VanDerWaalsContact CD2-CD2 3.42Å; L73-F90 HydrophobicContact CD2-CE2 4.17Å; L73-F90 HydrophobicContact CD2-CG 4.11Å; L73-F90 HydrophobicContact CG-CD2 3.99Å; L73-F90 HydrophobicContact CG-CG 4.46Å; W74-F90 HydrophobicContact CB-CZ 4.49Å; W74-F90 HydrophobicContact CE3-CE1 4.41Å; W74-F90 HydrophobicContact CE3-CZ 4.45Å; V86-F90 HydrophobicContact CG1-CB 4.03Å; V86-F90 WeakPolarHBondContact O-CB 3.19Å; V86-F90 PolarHBondContact O-N 3.49Å; F87-F90 PolarHBondContact O-N 3.03Å; F90-F158 HydrophobicContact CE2-CE2 4.5Å; F90-F158 HydrophobicContact CE2-CZ 4.4Å; F90-F158 AromaticContact CZ-CE2 3.75Å; F90-F158 HydrophobicContact CZ-CE2 3.75Å; F90-F158 AromaticContact CZ-CZ 3.88Å; F90-F158 HydrophobicContact CZ-CZ 3.88Å; F90-R159 HydrophobicContact CE2-CG 4.09Å; F90-R159 HydrophobicContact CZ-CG 4.18Å; F90-R159 WeakPolarHBondContact O-CD 3.38Å; F90-R159 PolarHBondContact O-NH1 3.37Å; F90-V254 HydrophobicContact CD1-CG1 3.94Å; F90-M258 HydrophobicContact CD1-CE 3.73Å; F90-M258 HydrophobicContact CE1-CE 3.32Å; F90-M258 HydrophobicContact CZ-CE 3.99Å
91	R	91.1	Very high	85.6	Confident	51 Å²	51	61.8 Å²	61.8	19%	0.192	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-54.8	147.4	175.9	70.3	-169.5	179.3	-174.1	-1.8	111.9	F87 D88 E106 T257	F87-R91 HydrophobicContact CD2-CB 4.43Å; F87-R91 HydrophobicContact CE2-CB 4.3Å; F87-R91 WeakPolarHBondContact O-CB 3.34Å; F87-R91 WeakPolarHBondContact O-CD 3.22Å; F87-R91 WeakPolarHBondContact O-CG 3.32Å; F87-R91 PolarHBondContact O-N 3.01Å; D88-R91 IonicContact OD1-CZ 3.65Å; D88-R91 IonicContact OD1-NE 3.63Å; D88-R91 IonicContact OD1-NH1 3.66Å; D88-R91 PolarHBondContact OD1-NH1 3.09Å; D88-R91 IonicContact OD1-NH2 2.68Å; D88-R91 PolarHBondContact OD1-NH2 2.9Å; R91-E106 IonicContact CZ-OE1 2.88Å; R91-E106 IonicContact NH2-OE1 3.68Å; R91-E106 PolarHBondContact NH2-OE1 2.96Å; R91-E106 IonicContact NH2-OE2 3.98Å; R91-T257 WeakPolarHBondContact CA-OG1 3.37Å; R91-T257 HydrophobicContact CB-CG2 4.13Å
92	L	94.9	Very high	86.8	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	151.6	164	-68.4	170	0	0	0	109.9	R102 R159 K160 T257	L92-R102 WeakPolarHBondContact CA-O 3.46Å; L92-R102 WeakPolarHBondContact CD2-O 3.38Å; L92-R159 HydrophobicContact CD1-CB 3.66Å; L92-R159 HydrophobicContact CG-CB 4.17Å; L92-K160 HydrophobicContact CD1-CG 3.91Å; L92-T257 WeakPolarHBondContact CB-O 3.3Å; L92-T257 WeakPolarHBondContact CD1-O 3.47Å; L92-T257 PolarHBondContact N-OG1 3.16Å; L92-T257 VanDerWaalsContact O-CB 3.31Å; L92-T257 WeakPolarHBondContact O-CB 3Å; L92-T257 WeakPolarHBondContact O-CG2 3.19Å
93	Q	95	Very high	87.8	Confident	39 Å²	39	60.6 Å²	60.6	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.1	163.2	-63.4	179.5	2.3	0	0	108.7	S101 R102 N105	Q93-S101 CarbonylContact O-C 3.53Å; Q93-S101 VanDerWaalsContact O-CA 3.31Å; Q93-S101 WeakPolarHBondContact O-CA 2.88Å; Q93-R102 HydrophobicContact CB-CG 3.97Å; Q93-R102 PolarHBondContact N-O 2.83Å; Q93-R102 PolarHBondContact O-N 3.25Å; Q93-R102 VanDerWaalsContact OE1-NH2 3.11Å; Q93-N105 VanDerWaalsContact NE2-CG 3.27Å; Q93-N105 PolarHBondContact NE2-ND2 3.03Å; Q93-N105 PolarHBondContact NE2-OD1 3.47Å
94	H	94.4	Very high	88.9	Confident	38 Å²	38	60.4 Å²	60.4	18%	0.176	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.5	173	-54.6	-73.8	0	0	0	110.4	E100 T257	H94-E100 WeakPolarHBondContact CA-O 3.47Å; H94-T257 PolarHBondContact CE1-O 3.2Å; H94-T257 PolarHBondContact NE2-O 3.3Å; H94-T257 VanDerWaalsContact NE2-O 3.1Å
95	D	93.9	Very high	89.7	Confident	45 Å²	45	60.9 Å²	60.9	24%	0.241	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-63.2	133.1	162.9	-173.5	-87.5	0	0	0	110.5	H97 T98 Y99 E100	D95-H97 PolarHBondContact O-N 2.87Å; D95-H97 WeakPolarHBondContact OD1-CA 3.36Å; D95-H97 PolarHBondContact OD1-N 3.47Å; D95-T98 VanDerWaalsContact CB-OG1 3.29Å; D95-T98 WeakPolarHBondContact CB-OG1 3.37Å; D95-T98 PolarHBondContact OD1-N 3.2Å; D95-T98 PolarHBondContact OD1-OG1 3.48Å; D95-Y99 WeakPolarHBondContact O-CA 3.45Å; D95-Y99 PolarHBondContact O-N 2.91Å; D95-E100 PolarHBondContact N-O 2.6Å
96	P	91.2	Very high	90.6	Very high	90 Å²	90	55.6 Å²	55.6	58%	0.584	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.7	-175.3	28.7	-35.7	0	0	0	114.3
97	H	91.3	Very high	91.5	Very high	163 Å²	163	54.9 Å²	54.9	76%	0.755	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-47.1	-177.3	-57.7	-60.7	0	0	0	112.6	D95	D95-H97 PolarHBondContact O-N 2.87Å; D95-H97 WeakPolarHBondContact OD1-CA 3.36Å; D95-H97 PolarHBondContact OD1-N 3.47Å
98	T	91.9	Very high	92.2	Very high	67 Å²	67	56.1 Å²	56.1	41%	0.411	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-19.5	180	71.1	0	0	0	0	112.7	D95 E100 R308	D95-T98 VanDerWaalsContact CB-OG1 3.29Å; D95-T98 WeakPolarHBondContact CB-OG1 3.37Å; D95-T98 PolarHBondContact OD1-N 3.2Å; D95-T98 PolarHBondContact OD1-OG1 3.48Å; T98-E100 PolarHBondContact O-N 2.96Å; T98-E100 WeakPolarHBondContact OG1-CB 3.35Å; T98-E100 WeakPolarHBondContact OG1-CG 3.33Å; T98-E100 PolarHBondContact OG1-N 2.82Å; T98-R308 PolarHBondContact O-NH1 3.36Å
99	Y	92.3	Very high	92.7	Very high	64 Å²	64	53.7 Å²	53.7	25%	0.251	26%	0.259	S	S	.	.			trans	62.8	9.4	-169.9	-56.3	-73.4	0	0	0	115.1	D95 T301 K304 L305 R308	D95-Y99 WeakPolarHBondContact O-CA 3.45Å; D95-Y99 PolarHBondContact O-N 2.91Å; Y99-T301 HydrophobicContact CD1-CG2 4.36Å; Y99-T301 HydrophobicContact CE1-CG2 4.39Å; Y99-K304 HydrophobicContact CD1-CB 4.28Å; Y99-K304 HydrophobicContact CD2-CB 4.49Å; Y99-K304 HydrophobicContact CE1-CB 3.76Å; Y99-K304 HydrophobicContact CE1-CG 4.27Å; Y99-K304 HydrophobicContact CE2-CB 3.98Å; Y99-L305 HydrophobicContact CD1-CD2 4.44Å; Y99-L305 HydrophobicContact CG-CD2 4.42Å; Y99-R308 PolarHBondContact O-NH1 3.22Å
100	E	93.1	Very high	93	Very high	78 Å²	78	52.8 Å²	52.8	36%	0.364	26%	0.261	S	S	.	.			trans	-65.6	134.5	177.8	-68.7	-177.4	-159.7	0	0	110.9	H94 D95 T98 D164 K166 R308	H94-E100 WeakPolarHBondContact CA-O 3.47Å; D95-E100 PolarHBondContact N-O 2.6Å; T98-E100 PolarHBondContact O-N 2.96Å; T98-E100 WeakPolarHBondContact OG1-CB 3.35Å; T98-E100 WeakPolarHBondContact OG1-CG 3.33Å; T98-E100 PolarHBondContact OG1-N 2.82Å; E100-D164 WeakPolarHBondContact CA-OD1 3.34Å; E100-K166 IonicContact OE1-NZ 3.23Å; E100-K166 PolarHBondContact OE1-NZ 3.22Å; E100-K166 IonicContact OE2-NZ 2.97Å; E100-K166 PolarHBondContact OE2-NZ 2.88Å; E100-R308 VanDerWaalsContact CA-NH1 3.34Å
101	S	95.6	Very high	93.3	Very high	12 Å²	12	53.8 Å²	53.8	8%	0.084	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.4	179	72.5	0	0	0	0	112.9	Q93 K160 D164	Q93-S101 CarbonylContact O-C 3.53Å; Q93-S101 VanDerWaalsContact O-CA 3.31Å; Q93-S101 WeakPolarHBondContact O-CA 2.88Å; S101-K160 PolarHBondContact O-NZ 3.08Å; S101-K160 WeakPolarHBondContact OG-CD 3.3Å; S101-K160 WeakPolarHBondContact OG-CE 3.2Å; S101-K160 WeakPolarHBondContact OG-CG 3.35Å; S101-K160 PolarHBondContact OG-NZ 3.32Å; S101-K160 VanDerWaalsContact OG-NZ 3.15Å; S101-D164 WeakPolarHBondContact CB-OD2 3.37Å; S101-D164 PolarHBondContact N-OD1 3.24Å; S101-D164 PolarHBondContact OG-OD2 2.58Å
102	R	95.3	Very high	93.5	Very high	117 Å²	117	53.1 Å²	53.1	44%	0.442	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	163.8	166.3	59.8	177.5	178.1	-95.2	-4.2	109.5	L92 Q93	L92-R102 WeakPolarHBondContact CA-O 3.46Å; L92-R102 WeakPolarHBondContact CD2-O 3.38Å; Q93-R102 HydrophobicContact CB-CG 3.97Å; Q93-R102 PolarHBondContact N-O 2.83Å; Q93-R102 PolarHBondContact O-N 3.25Å; Q93-R102 VanDerWaalsContact OE1-NH2 3.11Å
103	D	95	Very high	93.5	Very high	30 Å²	30	53.6 Å²	53.6	16%	0.16	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	159.9	168.7	-81.5	-22.5	0	0	0	112.3	K62 C107 E108 V109 R159	K62-D103 VanDerWaalsContact NZ-CB 3.35Å; D103-C107 WeakPolarHBondContact CB-O 3.42Å; D103-E108 WeakPolarHBondContact OD2-CA 3.22Å; D103-V109 PolarHBondContact OD2-N 3.33Å; D103-R159 IonicContact OD1-CZ 2.7Å; D103-R159 IonicContact OD1-NH1 2.77Å; D103-R159 PolarHBondContact OD1-NH1 2.94Å; D103-R159 IonicContact OD1-NH2 3.79Å; D103-R159 PolarHBondContact OD1-NH2 2.88Å
104	S	92.9	Very high	93.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.278	C	S	.	.			trans	-60.7	168.8	169.1	82.7	0	0	0	0	112.5	K62 D88 E106 C107	K62-S104 PolarHBondContact NZ-O 3.41Å; D88-S104 WeakPolarHBondContact O-CB 3.49Å; D88-S104 PolarHBondContact O-OG 3.43Å; S104-E106 WeakPolarHBondContact CB-OE2 3.08Å; S104-E106 PolarHBondContact O-N 3.47Å; S104-E106 PolarHBondContact OG-N 2.77Å; S104-E106 PolarHBondContact OG-OE2 2.79Å; S104-C107 PolarHBondContact OG-N 3.43Å
105	N	91.3	Very high	93.8	Very high	110 Å²	110	53.4 Å²	53.4	59%	0.588	27%	0.27	S	S	*	.	S	Bend	trans	-75.5	-19.6	178.3	-70.3	-22	0	0	0	111.7	K62 Q93	K62-N105 VanDerWaalsContact CB-O 3.24Å; K62-N105 WeakPolarHBondContact CB-O 3.2Å; K62-N105 VanDerWaalsContact CD-O 3.28Å; K62-N105 WeakPolarHBondContact CD-O 3.37Å; Q93-N105 VanDerWaalsContact NE2-CG 3.27Å; Q93-N105 PolarHBondContact NE2-ND2 3.03Å; Q93-N105 PolarHBondContact NE2-OD1 3.47Å
106	E	90.1	Very high	93.9	Very high	46 Å²	46	53 Å²	53	22%	0.215	27%	0.268	C	S	.	.	S	Bend	trans	-86.9	-28.5	-171.1	-59	81.1	177.1	0	0	111.9	P61 K62 D88 Y89 R91 S104	P61-E106 WeakPolarHBondContact CA-O 3.29Å; K62-E106 PolarHBondContact N-O 2.83Å; D88-E106 HydrophobicContact CB-CG 4.19Å; Y89-E106 HydrophobicContact CD1-CB 3.87Å; Y89-E106 HydrophobicContact CE1-CB 4.12Å; R91-E106 IonicContact CZ-OE1 2.88Å; R91-E106 IonicContact NH2-OE1 3.68Å; R91-E106 PolarHBondContact NH2-OE1 2.96Å; R91-E106 IonicContact NH2-OE2 3.98Å; S104-E106 WeakPolarHBondContact CB-OE2 3.08Å; S104-E106 PolarHBondContact O-N 3.47Å; S104-E106 PolarHBondContact OG-N 2.77Å; S104-E106 PolarHBondContact OG-OE2 2.79Å
107	C	91.2	Very high	94.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	139.2	-170.1	-169.8	0	0	0	0	113.5	C59 K62 Y89 D103 S104 V109	C59-C107 WeakPolarHBondContact CA-SG 3.44Å; C59-C107 HydrophobicContact CB-CB 4.46Å; C59-C107 WeakPolarHBondContact CB-SG 3.31Å; C59-C107 WeakPolarHBondContact SG-CB 3.25Å; C59-C107 CovalentContact SG-SG 2.03Å; C59-C107 PolarHBondContact SG-SG 3.25Å; K62-C107 VanDerWaalsContact CE-C 3.48Å; K62-C107 WeakPolarHBondContact CE-O 3.45Å; K62-C107 PolarHBondContact NZ-O 3.02Å; Y89-C107 HydrophobicContact CD1-CB 4.02Å; Y89-C107 HydrophobicContact CG-CB 4.47Å; Y89-C107 WeakPolarHBondContact O-CB 3.48Å; D103-C107 WeakPolarHBondContact CB-O 3.42Å; S104-C107 PolarHBondContact OG-N 3.43Å; C107-V109 HydrophobicContact CB-CG2 4.19Å; C107-V109 VanDerWaalsContact SG-CG2 3.55Å
108	E	93.7	Very high	94.4	Very high	78 Å²	78	45.4 Å²	45.4	36%	0.364	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.2	156.2	-178.6	-172.6	170.6	0	0	107.5	K60 D103 T110	K60-E108 HydrophobicContact CB-CB 4.31Å; K60-E108 WeakPolarHBondContact CD-OE2 3.37Å; K60-E108 WeakPolarHBondContact CE-OE2 3.4Å; K60-E108 PolarHBondContact N-O 3.1Å; K60-E108 IonicContact NZ-OE2 3.75Å; K60-E108 PolarHBondContact NZ-OE2 3.27Å; K60-E108 PolarHBondContact O-N 2.88Å; D103-E108 WeakPolarHBondContact OD2-CA 3.22Å; E108-T110 HydrophobicContact CG-CG2 4.48Å
109	V	94.6	Very high	94.4	Very high	13 Å²	13	42.2 Å²	42.2	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.5	-174.6	-174.4	0	0	0	0	110	A57 Y58 L73 Y89 D103 C107 F111	A57-V109 HydrophobicContact CB-CG1 4.36Å; Y58-V109 WeakPolarHBondContact O-CA 3.3Å; L73-V109 HydrophobicContact CD2-CG1 4.09Å; L73-V109 HydrophobicContact CD2-CG2 4.03Å; Y89-V109 WeakPolarHBondContact O-CG2 3.45Å; D103-V109 PolarHBondContact OD2-N 3.33Å; C107-V109 HydrophobicContact CB-CG2 4.19Å; C107-V109 VanDerWaalsContact SG-CG2 3.55Å; V109-F111 HydrophobicContact CB-CE2 4.33Å; V109-F111 HydrophobicContact CG1-CE2 3.63Å; V109-F111 HydrophobicContact CG1-CZ 3.62Å
110	T	95.1	Very high	94.6	Very high	53 Å²	53	39.2 Å²	39.2	33%	0.325	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.4	-174.8	57.8	0	0	0	0	111.9	A57 Y58 E108	A57-T110 CarbonylContact C-O 3.55Å; A57-T110 WeakPolarHBondContact CA-O 3.36Å; Y58-T110 PolarHBondContact N-O 2.92Å; Y58-T110 PolarHBondContact O-N 3.11Å; Y58-T110 PolarHBondContact O-OG1 2.86Å; E108-T110 HydrophobicContact CG-CG2 4.48Å
111	F	95.3	Very high	94.7	Very high	31 Å²	31	36 Å²	36	14%	0.136	17%	0.174	C	C	.	.			trans	-121.7	89.5	-176.2	-60.3	-94.2	0	0	0	107.7	A57 V109 Y156 D157 F158	A57-F111 HydrophobicContact CB-CD1 3.75Å; A57-F111 HydrophobicContact CB-CE1 3.45Å; A57-F111 VanDerWaalsContact CB-CE1 3.45Å; A57-F111 HydrophobicContact CB-CZ 4.07Å; V109-F111 HydrophobicContact CB-CE2 4.33Å; V109-F111 HydrophobicContact CG1-CE2 3.63Å; V109-F111 HydrophobicContact CG1-CZ 3.62Å; F111-Y156 WeakPolarHBondContact CD1-O 3.42Å; F111-Y156 WeakPolarHBondContact CG-O 3.18Å; F111-D157 HydrophobicContact CD2-CB 3.83Å; F111-D157 VanDerWaalsContact CE2-CA 3.47Å; F111-D157 HydrophobicContact CE2-CB 3.46Å; F111-D157 VanDerWaalsContact CE2-CB 3.46Å; F111-D157 VanDerWaalsContact CE2-CG 3.4Å; F111-D157 WeakPolarHBondContact CE2-OD1 3.35Å; F111-D157 HydrophobicContact CZ-CB 3.94Å; F111-D157 WeakPolarHBondContact CZ-OD1 3.47Å; F111-F158 AromaticContact CD1-CD1 3.97Å; F111-F158 HydrophobicContact CD1-CD1 3.97Å; F111-F158 AromaticContact CD1-CE1 3.94Å; F111-F158 HydrophobicContact CD1-CE1 3.94Å; F111-F158 AromaticContact CE1-CD1 3.68Å; F111-F158 HydrophobicContact CE1-CD1 3.68Å; F111-F158 AromaticContact CE1-CE1 3.52Å; F111-F158 HydrophobicContact CE1-CE1 3.52Å; F111-F158 HydrophobicContact CE1-CG 4.39Å; F111-F158 HydrophobicContact CE1-CZ 4.09Å
112	P	94.7	Very high	94.5	Very high	37 Å²	37	39.7 Å²	39.7	24%	0.24	19%	0.187	C	C	.	.			trans	-77.4	170	-168.3	32.9	-38.2	0	0	0	112.8	Y58 W118 S119 P155	Y58-P112 HydrophobicContact CD2-CG 3.66Å; Y58-P112 HydrophobicContact CE2-CG 3.78Å; P112-W118 HydrophobicContact CB-CH2 3.78Å; P112-W118 HydrophobicContact CB-CZ2 3.96Å; P112-W118 HydrophobicContact CG-CH2 3.65Å; P112-W118 HydrophobicContact CG-CZ2 4.32Å; P112-W118 HydrophobicContact CG-CZ3 4.47Å; P112-S119 WeakPolarHBondContact O-CB 3.41Å; P112-S119 PolarHBondContact O-OG 3.24Å; P112-P155 VanDerWaalsContact O-CG 3.26Å; P112-P155 WeakPolarHBondContact O-CG 3.49Å
113	G	95.1	Very high	94.2	Very high	14 Å²	14	34.3 Å²	34.3	14%	0.144	17%	0.167	C	C	.	.			trans	84.6	21.9	178.3	0	0	0	0	0	114.6	G115 D116	G113-G115 PolarHBondContact O-N 3.27Å; G113-G115 VanDerWaalsContact O-N 3.17Å; G113-D116 CarbonylContact O-C 3.32Å; G113-D116 PolarHBondContact O-N 2.87Å
114	W	97.6	Very high	93.5	Very high	74 Å²	74	33.4 Å²	33.4	28%	0.28	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	119.7	173.7	-176.9	-88.5	0	0	0	111.5	D116 A154 P155 F168 K171 F172 L175	W114-D116 VanDerWaalsContact C-N 3.33Å; W114-A154 HydrophobicContact CH2-CB 4.32Å; W114-A154 HydrophobicContact CZ3-CB 4.24Å; W114-P155 WeakPolarHBondContact CZ3-O 3.48Å; W114-F168 HydrophobicContact CH2-CD2 4.18Å; W114-F168 HydrophobicContact CH2-CE2 4.11Å; W114-F168 HydrophobicContact CZ3-CD2 4.09Å; W114-F168 HydrophobicContact CZ3-CE2 4.06Å; W114-K171 HydrophobicContact CH2-CB 3.99Å; W114-K171 VanDerWaalsContact CZ2-C 3.5Å; W114-K171 HydrophobicContact CZ2-CB 3.58Å; W114-F172 HydrophobicContact CH2-CB 4.1Å; W114-F172 HydrophobicContact CH2-CD2 4.14Å; W114-F172 HydrophobicContact CZ2-CB 4.42Å; W114-L175 HydrophobicContact CH2-CD2 4.44Å; W114-L175 HydrophobicContact CZ2-CB 4.04Å; W114-L175 HydrophobicContact CZ2-CD2 3.83Å
115	G	97.9	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-16.7	-176.1	0	0	0	0	0	114.6	G113 R152 G153	G113-G115 PolarHBondContact O-N 3.27Å; G113-G115 VanDerWaalsContact O-N 3.17Å; G115-R152 WeakPolarHBondContact O-CA 3.17Å; G115-R152 VanDerWaalsContact O-CB 3.28Å; G115-R152 WeakPolarHBondContact O-CB 3.18Å; G115-R152 WeakPolarHBondContact O-CD 3.5Å; G115-R152 PolarHBondContact O-NE 2.99Å; G115-R152 PolarHBondContact O-NH1 3.39Å; G115-G153 WeakPolarHBondContact CA-O 3.37Å; G115-G153 PolarHBondContact N-O 3.3Å
116	D	97.3	Very high	91.5	Very high	37 Å²	37	41.5 Å²	41.5	20%	0.198	20%	0.197	C	C	.	.	S	Bend	trans	-108.3	163.5	178.4	-155.5	-20.1	0	0	0	110.5	G113 W114 W118 N148 G153	G113-D116 CarbonylContact O-C 3.32Å; G113-D116 PolarHBondContact O-N 2.87Å; W114-D116 VanDerWaalsContact C-N 3.33Å; D116-W118 VanDerWaalsContact CG-CD1 3.47Å; D116-N148 HydrophobicContact CB-CB 4.18Å; D116-G153 WeakPolarHBondContact O-CA 3.39Å; D116-G153 PolarHBondContact O-N 3.38Å
117	T	96.8	Very high	90.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-94.1	-22.2	-176.5	56.1	0	0	0	0	113.9	L48 S119 V120 E121 V136 K147 M151	L48-T117 HydrophobicContact CD1-CG2 4.3Å; T117-S119 VanDerWaalsContact C-N 3.27Å; T117-S119 PolarHBondContact O-N 3.43Å; T117-S119 VanDerWaalsContact O-N 3.08Å; T117-V120 CarbonylContact O-C 3.56Å; T117-V120 VanDerWaalsContact O-CG2 3.23Å; T117-V120 WeakPolarHBondContact O-CG2 3.19Å; T117-V120 PolarHBondContact O-N 3.08Å; T117-E121 VanDerWaalsContact C-OE1 3.24Å; T117-E121 VanDerWaalsContact CB-OE1 3.25Å; T117-E121 WeakPolarHBondContact CB-OE1 3.4Å; T117-E121 WeakPolarHBondContact O-CG 3.16Å; T117-E121 PolarHBondContact O-N 2.91Å; T117-E121 PolarHBondContact OG1-OE1 2.92Å; T117-V136 HydrophobicContact CG2-CG2 4.2Å; T117-K147 WeakPolarHBondContact OG1-CD 3.45Å; T117-K147 WeakPolarHBondContact OG1-CG 3.36Å; T117-M151 HydrophobicContact CG2-CG 3.88Å
118	W	94.8	Very high	89.7	Confident	93 Å²	93	48 Å²	48	35%	0.352	24%	0.24	S	C	.	.	H	α-helix	trans	-55.8	-36.4	-167.4	66	-98.8	0	0	0	114.5	P112 D116 V120 E121	P112-W118 HydrophobicContact CB-CH2 3.78Å; P112-W118 HydrophobicContact CB-CZ2 3.96Å; P112-W118 HydrophobicContact CG-CH2 3.65Å; P112-W118 HydrophobicContact CG-CZ2 4.32Å; P112-W118 HydrophobicContact CG-CZ3 4.47Å; D116-W118 VanDerWaalsContact CG-CD1 3.47Å; W118-V120 VanDerWaalsContact C-N 3.29Å; W118-V120 PolarHBondContact O-N 3.22Å; W118-E121 WeakPolarHBondContact CA-OE1 3.5Å; W118-E121 PolarHBondContact N-OE1 2.83Å
119	S	93.3	Very high	89.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-80.1	-10.5	-177.3	66.4	0	0	0	0	114.1	S55 Q56 P112 T117	S55-S119 VanDerWaalsContact CA-O 3.29Å; S55-S119 WeakPolarHBondContact CA-O 3.25Å; Q56-S119 PolarHBondContact N-O 2Å; P112-S119 WeakPolarHBondContact O-CB 3.41Å; P112-S119 PolarHBondContact O-OG 3.24Å; T117-S119 VanDerWaalsContact C-N 3.27Å; T117-S119 PolarHBondContact O-N 3.43Å; T117-S119 VanDerWaalsContact O-N 3.08Å
120	V	95.4	Very high	88.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-114.3	-7.7	174.7	-55.4	0	0	0	0	112.6	P50 T117 W118 Y131 F132 P155	P50-V120 HydrophobicContact CB-CG1 4.19Å; P50-V120 HydrophobicContact CG-CG1 3.84Å; T117-V120 CarbonylContact O-C 3.56Å; T117-V120 VanDerWaalsContact O-CG2 3.23Å; T117-V120 WeakPolarHBondContact O-CG2 3.19Å; T117-V120 PolarHBondContact O-N 3.08Å; W118-V120 VanDerWaalsContact C-N 3.29Å; W118-V120 PolarHBondContact O-N 3.22Å; V120-Y131 WeakPolarHBondContact O-CB 3.41Å; V120-Y131 WeakPolarHBondContact O-CD1 3.49Å; V120-F132 HydrophobicContact CB-CD2 3.98Å; V120-F132 HydrophobicContact CG2-CD2 3.98Å; V120-F132 WeakPolarHBondContact O-CB 3.38Å; V120-F132 WeakPolarHBondContact O-CD2 3.27Å; V120-F132 PolarHBondContact O-N 3.3Å; V120-P155 HydrophobicContact CG1-CB 4.03Å
121	E	95.3	Very high	88.9	Confident	11 Å²	11	47.2 Å²	47.2	5%	0.051	23%	0.23	C	C	.	.	H	α-helix	trans	-73.8	-46.9	169	-77.4	171.3	-105.3	0	0	111.8	T117 W118 Y131 F132 G133 V136 K147	T117-E121 VanDerWaalsContact C-OE1 3.24Å; T117-E121 VanDerWaalsContact CB-OE1 3.25Å; T117-E121 WeakPolarHBondContact CB-OE1 3.4Å; T117-E121 WeakPolarHBondContact O-CG 3.16Å; T117-E121 PolarHBondContact O-N 2.91Å; T117-E121 PolarHBondContact OG1-OE1 2.92Å; W118-E121 WeakPolarHBondContact CA-OE1 3.5Å; W118-E121 PolarHBondContact N-OE1 2.83Å; E121-Y131 PolarHBondContact O-N 3.14Å; E121-F132 PolarHBondContact O-N 2.79Å; E121-G133 PolarHBondContact O-N 3.01Å; E121-V136 HydrophobicContact CG-CB 3.91Å; E121-V136 HydrophobicContact CG-CG1 3.99Å; E121-V136 HydrophobicContact CG-CG2 3.77Å; E121-V136 WeakPolarHBondContact OE2-CG1 3.5Å; E121-K147 WeakPolarHBondContact OE1-CE 3.41Å; E121-K147 IonicContact OE1-NZ 3.4Å; E121-K147 PolarHBondContact OE1-NZ 2.93Å; E121-K147 IonicContact OE2-NZ 2.66Å; E121-K147 PolarHBondContact OE2-NZ 3.14Å
122	Y	92.5	Very high	89	Confident	89 Å²	89	45.7 Å²	45.7	35%	0.349	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-136.1	129	-177.2	-59.7	-84.3	0	0	0	110.4	Q56 S124 E130	Q56-Y122 PolarHBondContact NE2-O 3.05Å; Y122-S124 VanDerWaalsContact C-N 3.35Å; Y122-S124 PolarHBondContact O-N 2.79Å; Y122-E130 HydrophobicContact CD1-CB 4.32Å; Y122-E130 HydrophobicContact CD1-CG 4.4Å; Y122-E130 HydrophobicContact CE1-CB 4.21Å; Y122-E130 HydrophobicContact CE1-CG 3.98Å
123	L	87.2	Confident	89.1	Confident	5 Å²	5	44 Å²	44	3%	0.026	21%	0.212	C	C	.	.	S	Bend	trans	-87.3	-3.2	-171.2	-52.9	-179.6	0	0	0	114.1	G54 I75 F129 Y131	G54-L123 WeakPolarHBondContact O-CD2 3.47Å; I75-L123 HydrophobicContact CD1-CB 3.79Å; I75-L123 HydrophobicContact CD1-CD1 3.9Å; I75-L123 HydrophobicContact CG1-CB 4.27Å; I75-L123 PolarHBondContact N-O 2.83Å; L123-F129 HydrophobicContact CB-CD1 4.04Å; L123-F129 HydrophobicContact CD1-CD1 3.88Å; L123-F129 HydrophobicContact CD1-CE1 3.98Å; L123-F129 HydrophobicContact CG-CD1 4.4Å; L123-F129 PolarHBondContact N-O 2.9Å; L123-Y131 HydrophobicContact CD1-CD2 4.16Å; L123-Y131 HydrophobicContact CD1-CG 4.31Å; L123-Y131 HydrophobicContact CD2-CD1 4.44Å; L123-Y131 HydrophobicContact CD2-CG 4.12Å; L123-Y131 HydrophobicContact CG-CG 4.41Å
124	S	80.7	Confident	89.2	Confident	11 Å²	11	45 Å²	45	8%	0.077	22%	0.217	C	C	.	.			trans	-142.3	147.2	173	-171.8	0	0	0	0	109.7	I75 Y122	I75-S124 PolarHBondContact O-OG 2.82Å; Y122-S124 VanDerWaalsContact C-N 3.35Å; Y122-S124 PolarHBondContact O-N 2.79Å
125	Q	71.8	Confident	89.2	Confident	117 Å²	117	41.4 Å²	41.4	55%	0.547	20%	0.204	S	C	.	.	S	Bend	trans	-83.5	-16.9	176.7	-62.6	-169.3	-20.2	0	0	113.1	Y58	Y58-Q125 PolarHBondContact OH-NE2 2.93Å
126	H	70.1	Confident	89.2	Confident	163 Å²	163	41.4 Å²	41.4	76%	0.755	20%	0.204	S	C	*	.	S	Bend	trans	-108.9	-22.6	-171.8	-56.2	-51.1	0	0	0	113.6
127	I	69	Low	89.2	Confident	85 Å²	85	42.9 Å²	42.9	44%	0.436	22%	0.217	S	C	.	.	S	Bend	trans	-130.2	133.3	-180	-70.6	165.1	0	0	0	106.9	F77 F129	F77-I127 HydrophobicContact CD2-CD1 3.56Å; F77-I127 HydrophobicContact CE2-CB 4.31Å; F77-I127 HydrophobicContact CE2-CD1 3.39Å; F77-I127 HydrophobicContact CE2-CG1 4.43Å; F77-I127 HydrophobicContact CE2-CG2 4.29Å; F77-I127 HydrophobicContact CZ-CD1 4.28Å; I127-F129 PolarHBondContact O-N 2.91Å
128	S	74.3	Confident	89.3	Confident	96 Å²	96	45.6 Å²	45.6	67%	0.671	23%	0.229	S	C	*	.			trans	-69.9	82.9	176.1	-170.6	0	0	0	0	110.1
129	F	82.8	Confident	89.3	Confident	68 Å²	68	41.3 Å²	41.3	30%	0.298	21%	0.213	S	C	.	.			trans	-103.7	84.2	171	-162.7	-128.2	0	0	0	108.2	I75 L123 I127	I75-F129 HydrophobicContact CD1-CD1 3.56Å; I75-F129 HydrophobicContact CD1-CE1 3.56Å; L123-F129 HydrophobicContact CB-CD1 4.04Å; L123-F129 HydrophobicContact CD1-CD1 3.88Å; L123-F129 HydrophobicContact CD1-CE1 3.98Å; L123-F129 HydrophobicContact CG-CD1 4.4Å; L123-F129 PolarHBondContact N-O 2.9Å; I127-F129 PolarHBondContact O-N 2.91Å
130	E	90.5	Very high	89.5	Confident	47 Å²	47	45.7 Å²	45.7	22%	0.22	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-64.3	146.8	-174.3	-161.2	-159.1	148.8	0	0	112.5	Y122 S134 R392 S396	Y122-E130 HydrophobicContact CD1-CB 4.32Å; Y122-E130 HydrophobicContact CD1-CG 4.4Å; Y122-E130 HydrophobicContact CE1-CB 4.21Å; Y122-E130 HydrophobicContact CE1-CG 3.98Å; E130-S134 WeakPolarHBondContact OE1-CA 3.35Å; E130-S134 WeakPolarHBondContact OE1-CB 2.91Å; E130-S134 PolarHBondContact OE1-N 2.97Å; E130-S134 PolarHBondContact OE1-OG 3.38Å; E130-S134 PolarHBondContact OE2-OG 2.86Å; E130-R392 PolarHBondContact O-NH1 2.58Å; E130-S396 WeakPolarHBondContact OE1-CB 3.48Å
131	Y	95	Very high	89.5	Confident	13 Å²	13	52.4 Å²	52.4	5%	0.051	26%	0.264	C	S	.	.	S	Bend	trans	-133.1	-79.8	171.9	-166.6	-112.8	0	0	0	111.8	P50 G51 V120 E121 L123 H193 R392 L395	P50-Y131 HydrophobicContact CB-CD1 4.49Å; P50-Y131 HydrophobicContact CB-CE1 3.69Å; G51-Y131 WeakPolarHBondContact CA-OH 3.34Å; G51-Y131 PolarHBondContact N-OH 3.45Å; V120-Y131 WeakPolarHBondContact O-CB 3.41Å; V120-Y131 WeakPolarHBondContact O-CD1 3.49Å; E121-Y131 PolarHBondContact O-N 3.14Å; L123-Y131 HydrophobicContact CD1-CD2 4.16Å; L123-Y131 HydrophobicContact CD1-CG 4.31Å; L123-Y131 HydrophobicContact CD2-CD1 4.44Å; L123-Y131 HydrophobicContact CD2-CG 4.12Å; L123-Y131 HydrophobicContact CG-CG 4.41Å; Y131-H193 AromaticContact CZ-ND1 3.62Å; Y131-H193 PolarHBondContact OH-ND1 2.98Å; Y131-R392 HydrophobicContact CD2-CG 3.88Å; Y131-R392 HydrophobicContact CE2-CG 3.99Å; Y131-L395 HydrophobicContact CD1-CD1 4.37Å; Y131-L395 HydrophobicContact CD2-CD1 4.15Å; Y131-L395 HydrophobicContact CE1-CD1 4.14Å; Y131-L395 HydrophobicContact CE2-CD1 3.94Å; Y131-L395 HydrophobicContact CG-CD1 4.38Å
132	F	97.2	Very high	89.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-93.1	3.9	171.1	-73.4	-66.4	0	0	0	114.5	L48 P50 V120 E121 S134 L135 V136 L191 H193 L395	L48-F132 HydrophobicContact CB-CD2 4.04Å; L48-F132 HydrophobicContact CB-CE2 3.92Å; L48-F132 HydrophobicContact CB-CG 4.41Å; L48-F132 HydrophobicContact CB-CZ 4.18Å; L48-F132 HydrophobicContact CD1-CB 3.98Å; L48-F132 HydrophobicContact CD1-CD1 4.3Å; L48-F132 HydrophobicContact CD1-CD2 4.31Å; L48-F132 HydrophobicContact CD1-CG 3.98Å; L48-F132 HydrophobicContact CD2-CD1 4.34Å; L48-F132 HydrophobicContact CD2-CE1 4.31Å; P50-F132 HydrophobicContact CB-CE2 4.4Å; V120-F132 HydrophobicContact CB-CD2 3.98Å; V120-F132 HydrophobicContact CG2-CD2 3.98Å; V120-F132 WeakPolarHBondContact O-CB 3.38Å; V120-F132 WeakPolarHBondContact O-CD2 3.27Å; V120-F132 PolarHBondContact O-N 3.3Å; E121-F132 PolarHBondContact O-N 2.79Å; F132-S134 PolarHBondContact O-N 3.35Å; F132-L135 HydrophobicContact CD1-CD2 4.04Å; F132-L135 HydrophobicContact CE1-CD2 4.48Å; F132-L135 PolarHBondContact O-N 3.46Å; F132-V136 HydrophobicContact CB-CG2 4.32Å; F132-V136 WeakPolarHBondContact O-CG2 3.33Å; F132-V136 PolarHBondContact O-N 3.33Å; F132-L191 HydrophobicContact CE1-CD2 3.7Å; F132-L191 HydrophobicContact CZ-CD2 4.04Å; F132-H193 HydrophobicContact CZ-CB 4.04Å; F132-L395 HydrophobicContact CD1-CD1 4.05Å; F132-L395 HydrophobicContact CD1-CD2 4.26Å; F132-L395 HydrophobicContact CE1-CD1 3.85Å; F132-L395 HydrophobicContact CE1-CD2 3.74Å; F132-L395 HydrophobicContact CE1-CG 4.37Å; F132-L395 HydrophobicContact CZ-CD1 4.27Å
133	G	96.6	Very high	89.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-51	-52.1	-171.6	0	0	0	0	0	115	E121 V136 S137	E121-G133 PolarHBondContact O-N 3.01Å; G133-V136 PolarHBondContact O-N 2.99Å; G133-S137 WeakPolarHBondContact O-CB 3.35Å; G133-S137 PolarHBondContact O-N 2.7Å
134	S	97	Very high	89.9	Confident	35 Å²	35	56.3 Å²	56.3	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-64.2	-41.7	179.3	-66.2	0	0	0	0	112.6	E130 F132 S137 E138	E130-S134 WeakPolarHBondContact OE1-CA 3.35Å; E130-S134 WeakPolarHBondContact OE1-CB 2.91Å; E130-S134 PolarHBondContact OE1-N 2.97Å; E130-S134 PolarHBondContact OE1-OG 3.38Å; E130-S134 PolarHBondContact OE2-OG 2.86Å; F132-S134 PolarHBondContact O-N 3.35Å; S134-S137 PolarHBondContact O-N 3.02Å; S134-E138 WeakPolarHBondContact O-CB 3.19Å; S134-E138 WeakPolarHBondContact O-CG 3.21Å; S134-E138 PolarHBondContact O-N 2.99Å
135	L	97.9	Very high	90.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-47.3	176.8	176.2	63.4	0	0	0	111.3	L48 F132 E138 L139 L191 F400 I401 V404	L48-L135 HydrophobicContact CD2-CD2 3.96Å; F132-L135 HydrophobicContact CD1-CD2 4.04Å; F132-L135 HydrophobicContact CE1-CD2 4.48Å; F132-L135 PolarHBondContact O-N 3.46Å; L135-E138 PolarHBondContact O-N 3.02Å; L135-L139 HydrophobicContact CD1-CD1 3.97Å; L135-L139 HydrophobicContact CD1-CG 4.2Å; L135-L139 HydrophobicContact CG-CD1 3.99Å; L135-L139 WeakPolarHBondContact O-CB 3.34Å; L135-L139 WeakPolarHBondContact O-CG 3.28Å; L135-L139 PolarHBondContact O-N 3.35Å; L135-L191 HydrophobicContact CD2-CD1 3.6Å; L135-F400 HydrophobicContact CD2-CE1 4.33Å; L135-I401 HydrophobicContact CB-CG1 4.37Å; L135-I401 HydrophobicContact CD1-CB 4.47Å; L135-I401 HydrophobicContact CD1-CG1 4.14Å; L135-I401 HydrophobicContact CD1-CG2 4.25Å; L135-V404 HydrophobicContact CD1-CB 4.04Å; L135-V404 HydrophobicContact CD1-CG1 3.96Å; L135-V404 HydrophobicContact CD1-CG2 4.28Å
136	V	97.8	Very high	91.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-45.7	178.3	167.3	0	0	0	0	110.9	L48 T117 E121 F132 G133 E138 L139 M140 K147 M151	L48-V136 HydrophobicContact CD1-CG2 3.55Å; T117-V136 HydrophobicContact CG2-CG2 4.2Å; E121-V136 HydrophobicContact CG-CB 3.91Å; E121-V136 HydrophobicContact CG-CG1 3.99Å; E121-V136 HydrophobicContact CG-CG2 3.77Å; E121-V136 WeakPolarHBondContact OE2-CG1 3.5Å; F132-V136 HydrophobicContact CB-CG2 4.32Å; F132-V136 WeakPolarHBondContact O-CG2 3.33Å; F132-V136 PolarHBondContact O-N 3.33Å; G133-V136 PolarHBondContact O-N 2.99Å; V136-E138 PolarHBondContact O-N 2.97Å; V136-L139 PolarHBondContact O-N 2.74Å; V136-M140 HydrophobicContact CG1-SD 4.16Å; V136-M140 WeakPolarHBondContact O-CG 2.98Å; V136-M140 PolarHBondContact O-N 2.96Å; V136-K147 HydrophobicContact CG1-CG 4.48Å; V136-M151 HydrophobicContact CB-CE 4.37Å; V136-M151 HydrophobicContact CB-SD 4.41Å; V136-M151 HydrophobicContact CG1-CE 3.74Å; V136-M151 HydrophobicContact CG1-SD 4.36Å; V136-M151 HydrophobicContact CG2-CE 4.5Å; V136-M151 HydrophobicContact CG2-SD 4.05Å
137	S	97.4	Very high	93.2	Very high	68 Å²	68	49 Å²	49	48%	0.476	25%	0.252	S	S	.	.	H	α-helix	trans	-59	-43.9	175.9	-174.4	0	0	0	0	112.5	G133 S134	G133-S137 WeakPolarHBondContact O-CB 3.35Å; G133-S137 PolarHBondContact O-N 2.7Å; S134-S137 PolarHBondContact O-N 3.02Å
138	E	97.6	Very high	94.5	Very high	56 Å²	56	48.8 Å²	48.8	26%	0.262	25%	0.252	S	S	.	.	H	α-helix	trans	-73.8	-24.3	-179.5	-76.9	-65.8	152.6	0	0	114.6	S134 L135 V136 K141 I401 K405	S134-E138 WeakPolarHBondContact O-CB 3.19Å; S134-E138 WeakPolarHBondContact O-CG 3.21Å; S134-E138 PolarHBondContact O-N 2.99Å; L135-E138 PolarHBondContact O-N 3.02Å; V136-E138 PolarHBondContact O-N 2.97Å; E138-K141 WeakPolarHBondContact OE1-CE 3.43Å; E138-K141 IonicContact OE1-NZ 2.83Å; E138-K141 PolarHBondContact OE1-NZ 3Å; E138-K141 WeakPolarHBondContact OE2-CE 3.3Å; E138-K141 IonicContact OE2-NZ 3.3Å; E138-K141 PolarHBondContact OE2-NZ 2.97Å; E138-I401 HydrophobicContact CB-CG2 3.5Å; E138-I401 VanDerWaalsContact CB-CG2 3.5Å; E138-I401 HydrophobicContact CG-CD1 4.28Å; E138-I401 HydrophobicContact CG-CG2 3.87Å; E138-K405 HydrophobicContact CB-CD 4.38Å; E138-K405 PolarHBondContact O-NZ 3.34Å; E138-K405 IonicContact OE2-NZ 3.33Å; E138-K405 PolarHBondContact OE2-NZ 3.03Å; E138-K405 VanDerWaalsContact OE2-NZ 3.08Å
139	L	96.7	Very high	95.7	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-77.2	-43.5	171.8	-73.5	170.6	0	0	0	111.4	I46 L135 V136 K141 D142 Y145 M151 K405 M408	I46-L139 HydrophobicContact CD1-CD1 4.47Å; I46-L139 HydrophobicContact CG2-CD1 4.3Å; L135-L139 HydrophobicContact CD1-CD1 3.97Å; L135-L139 HydrophobicContact CD1-CG 4.2Å; L135-L139 HydrophobicContact CG-CD1 3.99Å; L135-L139 WeakPolarHBondContact O-CB 3.34Å; L135-L139 WeakPolarHBondContact O-CG 3.28Å; L135-L139 PolarHBondContact O-N 3.35Å; V136-L139 PolarHBondContact O-N 2.74Å; L139-K141 PolarHBondContact O-N 2.82Å; L139-D142 PolarHBondContact O-N 2.82Å; L139-Y145 HydrophobicContact CB-CD2 4.27Å; L139-Y145 HydrophobicContact CB-CG 4.05Å; L139-Y145 HydrophobicContact CD2-CD1 4.46Å; L139-Y145 HydrophobicContact CD2-CD2 4.4Å; L139-Y145 HydrophobicContact CD2-CE1 4.34Å; L139-Y145 HydrophobicContact CD2-CE2 4.28Å; L139-Y145 HydrophobicContact CD2-CG 4.5Å; L139-Y145 VanDerWaalsContact O-CD2 3.23Å; L139-Y145 WeakPolarHBondContact O-CD2 3.22Å; L139-M151 HydrophobicContact CB-CE 4.31Å; L139-M151 HydrophobicContact CB-SD 3.97Å; L139-M151 HydrophobicContact CD1-SD 3.65Å; L139-M151 HydrophobicContact CG-SD 4.47Å; L139-K405 HydrophobicContact CD2-CG 3.9Å; L139-M408 HydrophobicContact CD2-CG 4.38Å
140	M	96.3	Very high	96.4	Very high	93 Å²	93	42 Å²	42	46%	0.458	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-12.6	179.7	-75.2	-177.7	71.3	0	0	115.3	V136 D142 K147 M151	V136-M140 HydrophobicContact CG1-SD 4.16Å; V136-M140 WeakPolarHBondContact O-CG 2.98Å; V136-M140 PolarHBondContact O-N 2.96Å; M140-D142 PolarHBondContact O-N 2.81Å; M140-K147 HydrophobicContact CE-CG 4.41Å; M140-K147 HydrophobicContact SD-CD 4.04Å; M140-K147 WeakPolarHBondContact SD-CE 3.43Å; M140-K147 HydrophobicContact SD-CG 3.85Å; M140-M151 HydrophobicContact CG-CE 3.68Å
141	K	95.7	Very high	96.8	Very high	140 Å²	140	39.8 Å²	39.8	61%	0.609	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-24	170.9	-65.5	-178.5	-177.5	174.5	0	112.8	E138 L139	E138-K141 WeakPolarHBondContact OE1-CE 3.43Å; E138-K141 IonicContact OE1-NZ 2.83Å; E138-K141 PolarHBondContact OE1-NZ 3Å; E138-K141 WeakPolarHBondContact OE2-CE 3.3Å; E138-K141 IonicContact OE2-NZ 3.3Å; E138-K141 PolarHBondContact OE2-NZ 2.97Å; L139-K141 PolarHBondContact O-N 2.82Å
142	D	93.9	Very high	96.9	Very high	40 Å²	40	39.8 Å²	39.8	21%	0.214	20%	0.2	C	C	.	.	S	Bend	trans	-99.4	124.6	170.6	-178.2	-32.3	0	0	0	109.1	K43 L139 M140 F144 Y145	K43-D142 WeakPolarHBondContact CE-OD2 3.4Å; K43-D142 IonicContact NZ-OD2 2.79Å; K43-D142 PolarHBondContact NZ-OD2 3.47Å; L139-D142 PolarHBondContact O-N 2.82Å; M140-D142 PolarHBondContact O-N 2.81Å; D142-F144 PolarHBondContact O-N 2.56Å; D142-F144 WeakPolarHBondContact OD1-CB 3.23Å; D142-F144 PolarHBondContact OD1-N 3.01Å; D142-Y145 HydrophobicContact CB-CD2 3.85Å; D142-Y145 HydrophobicContact CB-CE2 3.95Å; D142-Y145 PolarHBondContact O-N 3.43Å
143	K	93.8	Very high	97	Very high	143 Å²	143	39.8 Å²	39.8	62%	0.622	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.4	-172.9	-61.8	178.2	-179.1	173.7	0	114	I35 Y145	I35-K143 HydrophobicContact CD1-CB 4.02Å; I35-K143 HydrophobicContact CD1-CD 4.14Å; I35-K143 HydrophobicContact CG1-CD 4.42Å; I35-K143 HydrophobicContact CG2-CB 4Å; I35-K143 HydrophobicContact CG2-CD 4.46Å; K143-Y145 VanDerWaalsContact C-N 3.32Å
144	F	95.1	Very high	97.1	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.022	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-32.7	172	-179.6	-91.9	0	0	0	112.4	L32 K43 Y44 D142 V146 T150	L32-F144 HydrophobicContact CD2-CD2 4.07Å; K43-F144 HydrophobicContact CB-CB 4.07Å; K43-F144 HydrophobicContact CB-CD1 3.5Å; K43-F144 VanDerWaalsContact CB-CD1 3.5Å; K43-F144 HydrophobicContact CB-CD2 3.77Å; K43-F144 HydrophobicContact CB-CE1 3.8Å; K43-F144 HydrophobicContact CB-CE2 4.05Å; K43-F144 HydrophobicContact CB-CG 3.47Å; K43-F144 VanDerWaalsContact CB-CG 3.47Å; K43-F144 HydrophobicContact CB-CZ 4.06Å; K43-F144 HydrophobicContact CG-CB 4.05Å; K43-F144 HydrophobicContact CG-CD1 4.37Å; K43-F144 HydrophobicContact CG-CD2 4.37Å; K43-F144 HydrophobicContact CG-CG 4Å; K43-F144 WeakPolarHBondContact O-CZ 3.38Å; Y44-F144 WeakPolarHBondContact O-CE1 3.42Å; D142-F144 PolarHBondContact O-N 2.56Å; D142-F144 WeakPolarHBondContact OD1-CB 3.23Å; D142-F144 PolarHBondContact OD1-N 3.01Å; F144-V146 PolarHBondContact O-N 2.69Å; F144-T150 HydrophobicContact CE1-CG2 4.07Å; F144-T150 HydrophobicContact CE2-CG2 4.3Å; F144-T150 HydrophobicContact CZ-CG2 3.92Å; F144-T150 WeakPolarHBondContact O-CB 3.28Å; F144-T150 PolarHBondContact O-OG1 2.66Å
145	Y	96.7	Very high	97.1	Very high	9 Å²	9	38.2 Å²	38.2	4%	0.035	19%	0.189	C	C	.	.			trans	-89.7	100.1	-174.3	-56.5	-78.9	0	0	0	111.9	Y44 I46 L139 D142 K143 M408 N409	Y44-Y145 WeakPolarHBondContact O-CE1 3.47Å; I46-Y145 HydrophobicContact CG2-CD1 4.46Å; L139-Y145 HydrophobicContact CB-CD2 4.27Å; L139-Y145 HydrophobicContact CB-CG 4.05Å; L139-Y145 HydrophobicContact CD2-CD1 4.46Å; L139-Y145 HydrophobicContact CD2-CD2 4.4Å; L139-Y145 HydrophobicContact CD2-CE1 4.34Å; L139-Y145 HydrophobicContact CD2-CE2 4.28Å; L139-Y145 HydrophobicContact CD2-CG 4.5Å; L139-Y145 VanDerWaalsContact O-CD2 3.23Å; L139-Y145 WeakPolarHBondContact O-CD2 3.22Å; D142-Y145 HydrophobicContact CB-CD2 3.85Å; D142-Y145 HydrophobicContact CB-CE2 3.95Å; D142-Y145 PolarHBondContact O-N 3.43Å; K143-Y145 VanDerWaalsContact C-N 3.32Å; Y145-M408 HydrophobicContact CE1-CE 4.15Å; Y145-M408 VanDerWaalsContact OH-CB 3.25Å; Y145-M408 WeakPolarHBondContact OH-CB 3.18Å; Y145-M408 PolarHBondContact OH-O 3.42Å; Y145-N409 PolarHBondContact OH-OD1 2.91Å
146	V	97.5	Very high	97.1	Very high	59 Å²	59	38.6 Å²	38.6	36%	0.358	19%	0.19	S	C	.	.			trans	-112.4	122.3	179.2	-178.4	0	0	0	0	108.1	F144 F149 T150 M151	F144-V146 PolarHBondContact O-N 2.69Å; V146-F149 HydrophobicContact CB-CB 4.1Å; V146-F149 HydrophobicContact CG1-CB 4.02Å; V146-F149 PolarHBondContact O-N 3.49Å; V146-F149 VanDerWaalsContact O-N 3.15Å; V146-T150 PolarHBondContact N-OG1 2.67Å; V146-T150 PolarHBondContact O-N 2.57Å; V146-T150 VanDerWaalsContact O-N 3.1Å; V146-M151 PolarHBondContact O-N 3.26Å
147	K	97.8	Very high	97.1	Very high	68 Å²	68	39.5 Å²	39.5	30%	0.296	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-53.3	146.9	173.3	-61.7	-172.3	178.7	-159.6	0	110.3	T117 E121 V136 M140 F149 M151	T117-K147 WeakPolarHBondContact OG1-CD 3.45Å; T117-K147 WeakPolarHBondContact OG1-CG 3.36Å; E121-K147 WeakPolarHBondContact OE1-CE 3.41Å; E121-K147 IonicContact OE1-NZ 3.4Å; E121-K147 PolarHBondContact OE1-NZ 2.93Å; E121-K147 IonicContact OE2-NZ 2.66Å; E121-K147 PolarHBondContact OE2-NZ 3.14Å; V136-K147 HydrophobicContact CG1-CG 4.48Å; M140-K147 HydrophobicContact CE-CG 4.41Å; M140-K147 HydrophobicContact SD-CD 4.04Å; M140-K147 WeakPolarHBondContact SD-CE 3.43Å; M140-K147 HydrophobicContact SD-CG 3.85Å; K147-F149 PolarHBondContact O-N 2.83Å; K147-F149 VanDerWaalsContact O-N 3.1Å; K147-M151 CarbonylContact C-O 3.45Å; K147-M151 WeakPolarHBondContact CA-O 3.27Å; K147-M151 HydrophobicContact CG-CE 4.35Å
148	N	97.8	Very high	97	Very high	82 Å²	82	36.5 Å²	36.5	44%	0.439	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	20.2	-177.4	-161.9	22.1	0	0	0	113.2	D116 M151 R152	D116-N148 HydrophobicContact CB-CB 4.18Å; N148-M151 PolarHBondContact N-O 3.02Å; N148-R152 PolarHBondContact O-NH1 2.84Å; N148-R152 PolarHBondContact OD1-NH1 3.34Å
149	F	98.2	Very high	96.9	Very high	22 Å²	22	33.8 Å²	33.8	10%	0.096	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144	-77	-179.6	-162.6	-105.4	0	0	0	114.1	T28 V29 L32 V146 K147 N182	T28-F149 WeakPolarHBondContact OG1-CE2 3.3Å; T28-F149 WeakPolarHBondContact OG1-CZ 3.4Å; V29-F149 HydrophobicContact CG2-CZ 4.09Å; L32-F149 HydrophobicContact CD1-CD1 3.85Å; L32-F149 HydrophobicContact CD1-CE1 3.46Å; L32-F149 VanDerWaalsContact CD1-CE1 3.46Å; V146-F149 HydrophobicContact CB-CB 4.1Å; V146-F149 HydrophobicContact CG1-CB 4.02Å; V146-F149 PolarHBondContact O-N 3.49Å; V146-F149 VanDerWaalsContact O-N 3.15Å; K147-F149 PolarHBondContact O-N 2.83Å; K147-F149 VanDerWaalsContact O-N 3.1Å; F149-N182 HydrophobicContact CD1-CB 3.98Å; F149-N182 HydrophobicContact CD2-CB 4.1Å; F149-N182 HydrophobicContact CE1-CB 3.7Å; F149-N182 WeakPolarHBondContact CE1-O 3.49Å; F149-N182 HydrophobicContact CE2-CB 3.87Å; F149-N182 VanDerWaalsContact CE2-OD1 3.31Å; F149-N182 WeakPolarHBondContact CE2-OD1 3.26Å; F149-N182 HydrophobicContact CG-CB 4.14Å; F149-N182 HydrophobicContact CZ-CB 3.65Å; F149-N182 VanDerWaalsContact O-CB 3.27Å; F149-N182 WeakPolarHBondContact O-CB 3.41Å; F149-N182 PolarHBondContact O-ND2 2.7Å; F149-N182 VanDerWaalsContact O-ND2 3.13Å
150	T	97.8	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-16.7	173.5	47.4	0	0	0	0	112.6	L32 P45 I46 F144 V146 N182	L32-T150 HydrophobicContact CD1-CG2 4.23Å; P45-T150 CarbonylContact C-O 3.59Å; P45-T150 WeakPolarHBondContact CA-O 3.29Å; P45-T150 WeakPolarHBondContact CB-O 3.44Å; I46-T150 PolarHBondContact N-O 2.63Å; F144-T150 HydrophobicContact CE1-CG2 4.07Å; F144-T150 HydrophobicContact CE2-CG2 4.3Å; F144-T150 HydrophobicContact CZ-CG2 3.92Å; F144-T150 WeakPolarHBondContact O-CB 3.28Å; F144-T150 PolarHBondContact O-OG1 2.66Å; V146-T150 PolarHBondContact N-OG1 2.67Å; V146-T150 PolarHBondContact O-N 2.57Å; V146-T150 VanDerWaalsContact O-N 3.1Å; T150-N182 WeakPolarHBondContact CG2-O 3.36Å
151	M	98.2	Very high	96.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.4	170.6	177.5	165.6	56.9	0	0	108.7	I46 T117 V136 L139 M140 V146 K147 N148	I46-M151 HydrophobicContact CG2-CB 4Å; I46-M151 HydrophobicContact CG2-CG 3.77Å; I46-M151 HydrophobicContact CG2-SD 4.26Å; I46-M151 WeakPolarHBondContact O-CA 3.39Å; T117-M151 HydrophobicContact CG2-CG 3.88Å; V136-M151 HydrophobicContact CB-CE 4.37Å; V136-M151 HydrophobicContact CB-SD 4.41Å; V136-M151 HydrophobicContact CG1-CE 3.74Å; V136-M151 HydrophobicContact CG1-SD 4.36Å; V136-M151 HydrophobicContact CG2-CE 4.5Å; V136-M151 HydrophobicContact CG2-SD 4.05Å; L139-M151 HydrophobicContact CB-CE 4.31Å; L139-M151 HydrophobicContact CB-SD 3.97Å; L139-M151 HydrophobicContact CD1-SD 3.65Å; L139-M151 HydrophobicContact CG-SD 4.47Å; M140-M151 HydrophobicContact CG-CE 3.68Å; V146-M151 PolarHBondContact O-N 3.26Å; K147-M151 CarbonylContact C-O 3.45Å; K147-M151 WeakPolarHBondContact CA-O 3.27Å; K147-M151 HydrophobicContact CG-CE 4.35Å; N148-M151 PolarHBondContact N-O 3.02Å
152	R	98.7	Very high	97	Very high	12 Å²	12	24.1 Å²	24.1	5%	0.045	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.7	-170.5	-47.8	-84.2	-81.1	165.9	2.3	110.3	I46 I47 L48 G115 N148 L175 E178 T179	I46-R152 PolarHBondContact O-N 3.44Å; I47-R152 WeakPolarHBondContact CA-O 3.34Å; I47-R152 HydrophobicContact CG1-CB 4.17Å; I47-R152 HydrophobicContact CG1-CG 4.49Å; L48-R152 PolarHBondContact N-O 3.42Å; G115-R152 WeakPolarHBondContact O-CA 3.17Å; G115-R152 VanDerWaalsContact O-CB 3.28Å; G115-R152 WeakPolarHBondContact O-CB 3.18Å; G115-R152 WeakPolarHBondContact O-CD 3.5Å; G115-R152 PolarHBondContact O-NE 2.99Å; G115-R152 PolarHBondContact O-NH1 3.39Å; N148-R152 PolarHBondContact O-NH1 2.84Å; N148-R152 PolarHBondContact OD1-NH1 3.34Å; R152-L175 HydrophobicContact CB-CD1 4.31Å; R152-L175 HydrophobicContact CG-CD1 4.33Å; R152-L175 VanDerWaalsContact NE-CD1 3.27Å; R152-E178 IonicContact CZ-OE1 3.56Å; R152-E178 IonicContact CZ-OE2 2.73Å; R152-E178 IonicContact NH1-OE1 2.82Å; R152-E178 IonicContact NH2-OE1 3.4Å; R152-E178 PolarHBondContact NH2-OE1 3Å; R152-E178 IonicContact NH2-OE2 3.57Å; R152-E178 PolarHBondContact NH2-OE2 3.03Å; R152-T179 HydrophobicContact CG-CG2 3.94Å; R152-T179 WeakPolarHBondContact CG-OG1 3.37Å
153	G	98.5	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.8	165.6	0	0	0	0	0	111.4	G115 D116 P155	G115-G153 WeakPolarHBondContact CA-O 3.37Å; G115-G153 PolarHBondContact N-O 3.3Å; D116-G153 WeakPolarHBondContact O-CA 3.39Å; D116-G153 PolarHBondContact O-N 3.38Å; G153-P155 WeakPolarHBondContact O-CD 3.43Å
154	A	98.6	Very high	97.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.			trans	-122.7	65	174.7	0	0	0	0	0	111.3	I47 L48 I49 P50 W114 Y156 F172 L175	I47-A154 HydrophobicContact CG2-CB 3.93Å; L48-A154 PolarHBondContact O-N 3.28Å; I49-A154 HydrophobicContact CG1-CB 4.28Å; P50-A154 WeakPolarHBondContact CD-O 3.37Å; W114-A154 HydrophobicContact CH2-CB 4.32Å; W114-A154 HydrophobicContact CZ3-CB 4.24Å; A154-Y156 WeakPolarHBondContact O-CD1 3.36Å; A154-F172 HydrophobicContact CB-CD2 3.78Å; A154-F172 HydrophobicContact CB-CE2 3.6Å; A154-L175 HydrophobicContact CB-CD2 3.93Å
155	P	97.5	Very high	97.1	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.013	9%	0.087	C	C	.	.			trans	-60.6	146	172.4	29	-36.9	0	0	0	111.2	P112 W114 V120 G153	P112-P155 VanDerWaalsContact O-CG 3.26Å; P112-P155 WeakPolarHBondContact O-CG 3.49Å; W114-P155 WeakPolarHBondContact CZ3-O 3.48Å; V120-P155 HydrophobicContact CG1-CB 4.03Å; G153-P155 WeakPolarHBondContact O-CD 3.43Å
156	Y	97.7	Very high	96.8	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.035	11%	0.109	C	C	.	.			trans	-149.1	169.7	-176.9	60.9	-90.7	0	0	0	110.7	I49 P50 F111 A154 F158 F168 L195 G196 Y199	I49-Y156 HydrophobicContact CG2-CD1 4.4Å; I49-Y156 HydrophobicContact CG2-CE1 3.92Å; P50-Y156 HydrophobicContact CG-CD1 4.22Å; P50-Y156 HydrophobicContact CG-CE1 3.89Å; P50-Y156 WeakPolarHBondContact O-CE1 3.39Å; P50-Y156 VanDerWaalsContact O-CZ 3.28Å; P50-Y156 PolarHBondContact O-OH 3Å; F111-Y156 WeakPolarHBondContact CD1-O 3.42Å; F111-Y156 WeakPolarHBondContact CG-O 3.18Å; A154-Y156 WeakPolarHBondContact O-CD1 3.36Å; Y156-F158 VanDerWaalsContact C-N 3.29Å; Y156-F158 HydrophobicContact CD2-CB 4.28Å; Y156-F158 HydrophobicContact CE2-CB 3.87Å; Y156-F158 PolarHBondContact O-N 3.27Å; Y156-F168 HydrophobicContact CD1-CD2 4.39Å; Y156-F168 AromaticContact CD1-CE2 3.87Å; Y156-F168 HydrophobicContact CD1-CE2 3.87Å; Y156-F168 HydrophobicContact CG-CD2 4.18Å; Y156-F168 HydrophobicContact CG-CE2 4.13Å; Y156-L195 HydrophobicContact CE2-CD2 4.18Å; Y156-G196 PolarHBondContact OH-N 2.96Å; Y156-Y199 HydrophobicContact CD2-CD1 4.17Å; Y156-Y199 HydrophobicContact CD2-CD2 4.3Å; Y156-Y199 AromaticContact CD2-CE1 3.6Å; Y156-Y199 HydrophobicContact CD2-CE1 3.6Å; Y156-Y199 AromaticContact CD2-CE2 3.77Å; Y156-Y199 HydrophobicContact CD2-CE2 3.77Å; Y156-Y199 HydrophobicContact CD2-CG 4.48Å; Y156-Y199 AromaticContact CD2-CZ 3.35Å; Y156-Y199 WeakPolarHBondContact CD2-OH 3.13Å; Y156-Y199 HydrophobicContact CE1-CG 4.39Å; Y156-Y199 HydrophobicContact CE2-CD1 4.22Å; Y156-Y199 AromaticContact CE2-CD2 3.58Å; Y156-Y199 HydrophobicContact CE2-CD2 3.58Å; Y156-Y199 AromaticContact CE2-CE1 3.9Å; Y156-Y199 HydrophobicContact CE2-CE1 3.9Å; Y156-Y199 AromaticContact CE2-CE2 3.21Å; Y156-Y199 HydrophobicContact CE2-CE2 3.21Å; Y156-Y199 HydrophobicContact CE2-CG 4.07Å; Y156-Y199 AromaticContact CE2-CZ 3.36Å; Y156-Y199 HydrophobicContact CG-CD1 4.37Å; Y156-Y199 HydrophobicContact CG-CE1 4.06Å; Y156-Y199 AromaticContact CZ-CD2 3.72Å; Y156-Y199 AromaticContact CZ-CE2 3.87Å
157	D	97	Very high	96.6	Very high	19 Å²	19	26.2 Å²	26.2	10%	0.102	12%	0.123	C	C	.	.			trans	-66.9	88.8	171.6	-172.4	-3.8	0	0	0	111.2	F111 R159 K160 Y199	F111-D157 HydrophobicContact CD2-CB 3.83Å; F111-D157 VanDerWaalsContact CE2-CA 3.47Å; F111-D157 HydrophobicContact CE2-CB 3.46Å; F111-D157 VanDerWaalsContact CE2-CB 3.46Å; F111-D157 VanDerWaalsContact CE2-CG 3.4Å; F111-D157 WeakPolarHBondContact CE2-OD1 3.35Å; F111-D157 HydrophobicContact CZ-CB 3.94Å; F111-D157 WeakPolarHBondContact CZ-OD1 3.47Å; D157-R159 PolarHBondContact O-N 2.92Å; D157-R159 VanDerWaalsContact O-N 3.15Å; D157-R159 VanDerWaalsContact OD1-CB 3.26Å; D157-R159 WeakPolarHBondContact OD1-CB 3.39Å; D157-R159 WeakPolarHBondContact OD1-CG 3.25Å; D157-R159 IonicContact OD1-CZ 2.67Å; D157-R159 PolarHBondContact OD1-N 3.49Å; D157-R159 VanDerWaalsContact OD1-N 3.17Å; D157-R159 IonicContact OD1-NE 3.17Å; D157-R159 PolarHBondContact OD1-NE 3.46Å; D157-R159 IonicContact OD1-NH2 3.02Å; D157-R159 PolarHBondContact OD1-NH2 2.91Å; D157-R159 IonicContact OD2-CZ 2.77Å; D157-R159 IonicContact OD2-NE 3.78Å; D157-R159 IonicContact OD2-NH2 3.6Å; D157-R159 PolarHBondContact OD2-NH2 3.21Å; D157-K160 HydrophobicContact CB-CD 4.36Å; D157-K160 HydrophobicContact CB-CG 4.33Å; D157-K160 WeakPolarHBondContact O-CB 3.47Å; D157-K160 PolarHBondContact O-N 3.22Å; D157-K160 WeakPolarHBondContact OD2-CD 3.38Å; D157-K160 WeakPolarHBondContact OD2-CE 3.38Å; D157-Y199 PolarHBondContact O-OH 2.6Å
158	F	95.5	Very high	96.5	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.018	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-2.1	-176	63	-109.5	0	0	0	113.9	M52 G53 S55 A57 W74 F90 F111 Y156 K160 S260	M52-F158 HydrophobicContact CG-CD2 4.17Å; G53-F158 VanDerWaalsContact N-CG 3.31Å; S55-F158 WeakPolarHBondContact O-CE1 3.46Å; A57-F158 HydrophobicContact CB-CE1 4.44Å; W74-F158 HydrophobicContact CB-CZ 4.46Å; W74-F158 AromaticContact CD1-CE1 3.83Å; W74-F158 AromaticContact CD1-CZ 3.44Å; W74-F158 VanDerWaalsContact CD1-CZ 3.44Å; W74-F158 HydrophobicContact CD2-CZ 4.18Å; W74-F158 AromaticContact CG-CZ 3.81Å; W74-F158 HydrophobicContact CG-CZ 3.81Å; W74-F158 AromaticContact NE1-CZ 3.59Å; F90-F158 HydrophobicContact CE2-CE2 4.5Å; F90-F158 HydrophobicContact CE2-CZ 4.4Å; F90-F158 AromaticContact CZ-CE2 3.75Å; F90-F158 HydrophobicContact CZ-CE2 3.75Å; F90-F158 AromaticContact CZ-CZ 3.88Å; F90-F158 HydrophobicContact CZ-CZ 3.88Å; F111-F158 AromaticContact CD1-CD1 3.97Å; F111-F158 HydrophobicContact CD1-CD1 3.97Å; F111-F158 AromaticContact CD1-CE1 3.94Å; F111-F158 HydrophobicContact CD1-CE1 3.94Å; F111-F158 AromaticContact CE1-CD1 3.68Å; F111-F158 HydrophobicContact CE1-CD1 3.68Å; F111-F158 AromaticContact CE1-CE1 3.52Å; F111-F158 HydrophobicContact CE1-CE1 3.52Å; F111-F158 HydrophobicContact CE1-CG 4.39Å; F111-F158 HydrophobicContact CE1-CZ 4.09Å; Y156-F158 VanDerWaalsContact C-N 3.29Å; Y156-F158 HydrophobicContact CD2-CB 4.28Å; Y156-F158 HydrophobicContact CE2-CB 3.87Å; Y156-F158 PolarHBondContact O-N 3.27Å; F158-K160 VanDerWaalsContact C-N 3.26Å; F158-S260 WeakPolarHBondContact O-CB 3.36Å; F158-S260 PolarHBondContact O-OG 2.82Å
159	R	95.9	Very high	96.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-20.7	166.8	-55.7	172.9	-65.8	169	3.5	111.6	F90 L92 D103 D157 M258 T259 S260	F90-R159 HydrophobicContact CE2-CG 4.09Å; F90-R159 HydrophobicContact CZ-CG 4.18Å; F90-R159 WeakPolarHBondContact O-CD 3.38Å; F90-R159 PolarHBondContact O-NH1 3.37Å; L92-R159 HydrophobicContact CD1-CB 3.66Å; L92-R159 HydrophobicContact CG-CB 4.17Å; D103-R159 IonicContact OD1-CZ 2.7Å; D103-R159 IonicContact OD1-NH1 2.77Å; D103-R159 PolarHBondContact OD1-NH1 2.94Å; D103-R159 IonicContact OD1-NH2 3.79Å; D103-R159 PolarHBondContact OD1-NH2 2.88Å; D157-R159 PolarHBondContact O-N 2.92Å; D157-R159 VanDerWaalsContact O-N 3.15Å; D157-R159 VanDerWaalsContact OD1-CB 3.26Å; D157-R159 WeakPolarHBondContact OD1-CB 3.39Å; D157-R159 WeakPolarHBondContact OD1-CG 3.25Å; D157-R159 IonicContact OD1-CZ 2.67Å; D157-R159 PolarHBondContact OD1-N 3.49Å; D157-R159 VanDerWaalsContact OD1-N 3.17Å; D157-R159 IonicContact OD1-NE 3.17Å; D157-R159 PolarHBondContact OD1-NE 3.46Å; D157-R159 IonicContact OD1-NH2 3.02Å; D157-R159 PolarHBondContact OD1-NH2 2.91Å; D157-R159 IonicContact OD2-CZ 2.77Å; D157-R159 IonicContact OD2-NE 3.78Å; D157-R159 IonicContact OD2-NH2 3.6Å; D157-R159 PolarHBondContact OD2-NH2 3.21Å; R159-M258 HydrophobicContact CB-CG 3.97Å; R159-M258 HydrophobicContact CB-SD 4.46Å; R159-M258 HydrophobicContact CG-CE 3.85Å; R159-M258 HydrophobicContact CG-CG 4.27Å; R159-M258 HydrophobicContact CG-SD 4.31Å; R159-M258 CarbonylContact O-C 3.56Å; R159-M258 WeakPolarHBondContact O-CA 3.29Å; R159-M258 WeakPolarHBondContact O-CB 3.36Å; R159-T259 PolarHBondContact O-N 3.24Å; R159-S260 WeakPolarHBondContact CA-OG 3.48Å; R159-S260 PolarHBondContact O-N 2.98Å; R159-S260 PolarHBondContact O-OG 2.88Å; R159-S260 VanDerWaalsContact O-OG 3.04Å
160	K	97.2	Very high	96	Very high	30 Å²	30	25.9 Å²	25.9	13%	0.13	12%	0.122	C	C	.	.	S	Bend	trans	-97.6	145.3	-175.7	-62.1	-170.3	-179.8	-148.2	0	112.8	L92 S101 D157 F158 N165 Y199 T259 S260	L92-K160 HydrophobicContact CD1-CG 3.91Å; S101-K160 PolarHBondContact O-NZ 3.08Å; S101-K160 WeakPolarHBondContact OG-CD 3.3Å; S101-K160 WeakPolarHBondContact OG-CE 3.2Å; S101-K160 WeakPolarHBondContact OG-CG 3.35Å; S101-K160 PolarHBondContact OG-NZ 3.32Å; S101-K160 VanDerWaalsContact OG-NZ 3.15Å; D157-K160 HydrophobicContact CB-CD 4.36Å; D157-K160 HydrophobicContact CB-CG 4.33Å; D157-K160 WeakPolarHBondContact O-CB 3.47Å; D157-K160 PolarHBondContact O-N 3.22Å; D157-K160 WeakPolarHBondContact OD2-CD 3.38Å; D157-K160 WeakPolarHBondContact OD2-CE 3.38Å; F158-K160 VanDerWaalsContact C-N 3.26Å; K160-N165 HydrophobicContact CB-CB 3.91Å; K160-N165 HydrophobicContact CD-CB 4.39Å; K160-Y199 WeakPolarHBondContact O-CE2 3.48Å; K160-Y199 PolarHBondContact O-OH 3.47Å; K160-T259 VanDerWaalsContact CA-OG1 3.31Å; K160-T259 WeakPolarHBondContact CA-OG1 3.49Å; K160-S260 WeakPolarHBondContact O-CB 3.28Å
161	S	96.9	Very high	95.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	14%	0.141	C	C	.	.			trans	-72.7	160.7	167.1	53.5	0	0	0	0	111.8	D163 D164 N165 T259	S161-D163 VanDerWaalsContact C-N 3.3Å; S161-D163 VanDerWaalsContact CB-OD1 3.26Å; S161-D163 WeakPolarHBondContact CB-OD1 3.47Å; S161-D163 PolarHBondContact O-N 2.92Å; S161-D163 PolarHBondContact OG-OD1 2.91Å; S161-D164 PolarHBondContact O-N 3.48Å; S161-D164 VanDerWaalsContact O-N 3.12Å; S161-D164 VanDerWaalsContact OG-CB 3.27Å; S161-D164 WeakPolarHBondContact OG-CB 3.33Å; S161-N165 PolarHBondContact O-N 2.94Å; S161-T259 PolarHBondContact N-OG1 3.23Å; S161-T259 VanDerWaalsContact N-OG1 3.1Å; S161-T259 WeakPolarHBondContact OG-CB 3.3Å
162	P	96.6	Very high	95.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-36.4	177.8	-26.6	31.8	0	0	0	115.6	D164 L198 Y199 Y202	P162-D164 VanDerWaalsContact C-N 3.34Å; P162-L198 HydrophobicContact CG-CB 4.46Å; P162-Y199 HydrophobicContact CB-CD2 4.46Å; P162-Y199 HydrophobicContact CB-CG 4.49Å; P162-Y199 HydrophobicContact CG-CD2 3.68Å; P162-Y199 HydrophobicContact CG-CE2 3.91Å; P162-Y199 HydrophobicContact CG-CG 4.1Å; P162-Y202 HydrophobicContact CB-CD1 3.53Å; P162-Y202 HydrophobicContact CB-CD2 4.21Å; P162-Y202 HydrophobicContact CB-CE1 4.23Å; P162-Y202 HydrophobicContact CB-CG 3.51Å; P162-Y202 WeakPolarHBondContact O-CE1 3.22Å
163	D	95.1	Very high	95.9	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.064	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-30.4	178.3	72.7	-66.9	0	0	0	112.9	S161 R308 Y309 A312	S161-D163 VanDerWaalsContact C-N 3.3Å; S161-D163 VanDerWaalsContact CB-OD1 3.26Å; S161-D163 WeakPolarHBondContact CB-OD1 3.47Å; S161-D163 PolarHBondContact O-N 2.92Å; S161-D163 PolarHBondContact OG-OD1 2.91Å; D163-R308 IonicContact OD2-CZ 2.67Å; D163-R308 VanDerWaalsContact OD2-CZ 3.3Å; D163-R308 IonicContact OD2-NE 2.7Å; D163-R308 PolarHBondContact OD2-NE 3.29Å; D163-R308 IonicContact OD2-NH2 3.23Å; D163-R308 PolarHBondContact OD2-NH2 3.01Å; D163-Y309 WeakPolarHBondContact OD1-CD2 3.49Å; D163-A312 HydrophobicContact CB-CB 3.75Å
164	D	95.7	Very high	95.9	Very high	9 Å²	9	38.4 Å²	38.4	5%	0.048	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-25.2	-172.6	-162.2	40	0	0	0	111.5	E100 S101 S161 P162 K166 T259 R308	E100-D164 WeakPolarHBondContact CA-OD1 3.34Å; S101-D164 WeakPolarHBondContact CB-OD2 3.37Å; S101-D164 PolarHBondContact N-OD1 3.24Å; S101-D164 PolarHBondContact OG-OD2 2.58Å; S161-D164 PolarHBondContact O-N 3.48Å; S161-D164 VanDerWaalsContact O-N 3.12Å; S161-D164 VanDerWaalsContact OG-CB 3.27Å; S161-D164 WeakPolarHBondContact OG-CB 3.33Å; P162-D164 VanDerWaalsContact C-N 3.34Å; D164-K166 VanDerWaalsContact C-N 3.31Å; D164-K166 PolarHBondContact O-N 2.95Å; D164-T259 PolarHBondContact OD2-OG1 3.31Å; D164-R308 IonicContact OD1-CZ 2.66Å; D164-R308 IonicContact OD1-NH1 3.38Å; D164-R308 IonicContact OD1-NH2 3.83Å; D164-R308 PolarHBondContact OD1-NH2 3.25Å
165	N	94.6	Very high	95.9	Very high	22 Å²	22	38.5 Å²	38.5	12%	0.118	18%	0.179	C	C	.	.			trans	-90.2	55.6	174.3	-162.6	-7.7	0	0	0	112.5	K160 S161 Q167 F168 Y199	K160-N165 HydrophobicContact CB-CB 3.91Å; K160-N165 HydrophobicContact CD-CB 4.39Å; S161-N165 PolarHBondContact O-N 2.94Å; N165-Q167 PolarHBondContact O-N 3.29Å; N165-Q167 VanDerWaalsContact O-N 3.09Å; N165-F168 VanDerWaalsContact O-CB 3.26Å; N165-F168 WeakPolarHBondContact O-CB 3.31Å; N165-F168 PolarHBondContact O-N 2.86Å; N165-Y199 HydrophobicContact CB-CE1 3.9Å; N165-Y199 WeakPolarHBondContact CB-OH 3.39Å; N165-Y199 PolarHBondContact ND2-OH 3.44Å
166	K	90.1	Very high	96	Very high	116 Å²	116	38.4 Å²	38.4	50%	0.504	18%	0.178	S	C	.	.	H	α-helix	trans	-50.1	-39.1	-172	-61.6	176	-177.7	170.6	0	114.4	E100 D164 F168 V169	E100-K166 IonicContact OE1-NZ 3.23Å; E100-K166 PolarHBondContact OE1-NZ 3.22Å; E100-K166 IonicContact OE2-NZ 2.97Å; E100-K166 PolarHBondContact OE2-NZ 2.88Å; D164-K166 VanDerWaalsContact C-N 3.31Å; D164-K166 PolarHBondContact O-N 2.95Å; K166-F168 PolarHBondContact O-N 3.34Å; K166-V169 PolarHBondContact O-N 2.7Å
167	Q	92.5	Very high	96	Very high	141 Å²	141	40 Å²	40	66%	0.659	19%	0.186	S	C	*	.	H	α-helix	trans	-65	-21.4	-179.8	-66.6	-175.6	3.3	0	0	113.8	N165 V169 K171	N165-Q167 PolarHBondContact O-N 3.29Å; N165-Q167 VanDerWaalsContact O-N 3.09Å; Q167-V169 PolarHBondContact O-N 2.89Å; Q167-K171 WeakPolarHBondContact O-CB 3.47Å; Q167-K171 WeakPolarHBondContact O-CG 3.12Å; Q167-K171 PolarHBondContact O-N 3.43Å
168	F	95.8	Very high	96.1	Very high	5 Å²	5	43 Å²	43	2%	0.022	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-44.8	178.7	-177.6	-89.8	0	0	0	111.5	I49 W114 Y156 N165 K166 E170 K171 F172 Y199	I49-F168 HydrophobicContact CG2-CZ 4.17Å; W114-F168 HydrophobicContact CH2-CD2 4.18Å; W114-F168 HydrophobicContact CH2-CE2 4.11Å; W114-F168 HydrophobicContact CZ3-CD2 4.09Å; W114-F168 HydrophobicContact CZ3-CE2 4.06Å; Y156-F168 HydrophobicContact CD1-CD2 4.39Å; Y156-F168 AromaticContact CD1-CE2 3.87Å; Y156-F168 HydrophobicContact CD1-CE2 3.87Å; Y156-F168 HydrophobicContact CG-CD2 4.18Å; Y156-F168 HydrophobicContact CG-CE2 4.13Å; N165-F168 VanDerWaalsContact O-CB 3.26Å; N165-F168 WeakPolarHBondContact O-CB 3.31Å; N165-F168 PolarHBondContact O-N 2.86Å; K166-F168 PolarHBondContact O-N 3.34Å; F168-E170 PolarHBondContact O-N 2.91Å; F168-K171 PolarHBondContact O-N 3.31Å; F168-F172 HydrophobicContact CD1-CB 4.11Å; F168-F172 HydrophobicContact CE1-CB 3.84Å; F168-F172 HydrophobicContact CE1-CD1 4.19Å; F168-F172 HydrophobicContact CE1-CD2 4.03Å; F168-F172 AromaticContact CE1-CG 3.77Å; F168-F172 HydrophobicContact CE1-CG 3.77Å; F168-F172 HydrophobicContact CE2-CD2 4.21Å; F168-F172 HydrophobicContact CZ-CB 4.13Å; F168-F172 AromaticContact CZ-CD2 3.58Å; F168-F172 HydrophobicContact CZ-CD2 3.58Å; F168-F172 HydrophobicContact CZ-CE2 4.06Å; F168-F172 AromaticContact CZ-CG 3.83Å; F168-F172 HydrophobicContact CZ-CG 3.83Å; F168-F172 WeakPolarHBondContact O-CB 3.2Å; F168-F172 PolarHBondContact O-N 2.97Å; F168-Y199 HydrophobicContact CB-CD1 4.36Å; F168-Y199 HydrophobicContact CB-CE1 4.12Å; F168-Y199 AromaticContact CD1-CD1 3.64Å; F168-Y199 HydrophobicContact CD1-CD1 3.64Å; F168-Y199 HydrophobicContact CD1-CE1 4.25Å; F168-Y199 AromaticContact CD2-CD1 3.93Å; F168-Y199 HydrophobicContact CD2-CD1 3.93Å; F168-Y199 HydrophobicContact CD2-CE1 4.1Å; F168-Y199 AromaticContact CE1-CD1 3.8Å; F168-Y199 HydrophobicContact CE1-CD1 3.8Å; F168-Y199 HydrophobicContact CE2-CD1 4.08Å; F168-Y199 AromaticContact CG-CD1 3.69Å; F168-Y199 HydrophobicContact CG-CD1 3.69Å; F168-Y199 AromaticContact CG-CE1 3.89Å; F168-Y199 HydrophobicContact CG-CE1 3.89Å; F168-Y199 HydrophobicContact CZ-CD1 4.02Å
169	V	92.7	Very high	96.3	Very high	27 Å²	27	42.8 Å²	42.8	16%	0.164	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-45.7	-173.4	177.5	0	0	0	0	111.7	K166 Q167 K173 Y202 F203 N206	K166-V169 PolarHBondContact O-N 2.7Å; Q167-V169 PolarHBondContact O-N 2.89Å; V169-K173 PolarHBondContact O-N 3.4Å; V169-K173 VanDerWaalsContact O-N 3.12Å; V169-Y202 HydrophobicContact CG2-CD1 3.98Å; V169-Y202 HydrophobicContact CG2-CE1 3.72Å; V169-F203 HydrophobicContact CG1-CD2 4.06Å; V169-F203 WeakPolarHBondContact O-CE2 3.43Å; V169-N206 HydrophobicContact CG1-CB 4.18Å
170	E	92.9	Very high	96.4	Very high	132 Å²	132	44.5 Å²	44.5	62%	0.617	21%	0.205	S	C	*	.	H	α-helix	trans	-68.2	-51.9	179.5	-176.1	178.1	-171.2	0	0	111.7	F168 F172 K173 H174	F168-E170 PolarHBondContact O-N 2.91Å; E170-F172 VanDerWaalsContact C-N 3.31Å; E170-F172 PolarHBondContact O-N 2.72Å; E170-K173 WeakPolarHBondContact O-CB 3.45Å; E170-K173 PolarHBondContact O-N 3.27Å; E170-H174 PolarHBondContact O-CD2 3.13Å; E170-H174 VanDerWaalsContact O-CD2 3.31Å; E170-H174 PolarHBondContact O-N 2.82Å
171	K	97.1	Very high	96.4	Very high	94 Å²	94	49.7 Å²	49.7	41%	0.409	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-41.7	179	-69.4	177.2	63.2	-178	0	111.9	W114 Q167 F168 H174 L175	W114-K171 HydrophobicContact CH2-CB 3.99Å; W114-K171 VanDerWaalsContact CZ2-C 3.5Å; W114-K171 HydrophobicContact CZ2-CB 3.58Å; Q167-K171 WeakPolarHBondContact O-CB 3.47Å; Q167-K171 WeakPolarHBondContact O-CG 3.12Å; Q167-K171 PolarHBondContact O-N 3.43Å; F168-K171 PolarHBondContact O-N 3.31Å; K171-H174 PolarHBondContact O-N 3.34Å; K171-L175 PolarHBondContact O-N 2.62Å
172	F	98.5	Very high	96.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.2	-36.5	-178.9	-167.4	-103.8	0	0	0	111.5	I47 I49 W114 A154 F168 E170 H174 L175 V176 L190 F203	I47-F172 HydrophobicContact CG2-CE2 3.75Å; I47-F172 HydrophobicContact CG2-CZ 4.22Å; I49-F172 HydrophobicContact CD1-CE2 4.25Å; I49-F172 HydrophobicContact CD1-CZ 3.89Å; I49-F172 HydrophobicContact CG1-CE2 3.65Å; I49-F172 HydrophobicContact CG1-CZ 3.7Å; W114-F172 HydrophobicContact CH2-CB 4.1Å; W114-F172 HydrophobicContact CH2-CD2 4.14Å; W114-F172 HydrophobicContact CZ2-CB 4.42Å; A154-F172 HydrophobicContact CB-CD2 3.78Å; A154-F172 HydrophobicContact CB-CE2 3.6Å; F168-F172 HydrophobicContact CD1-CB 4.11Å; F168-F172 HydrophobicContact CE1-CB 3.84Å; F168-F172 HydrophobicContact CE1-CD1 4.19Å; F168-F172 HydrophobicContact CE1-CD2 4.03Å; F168-F172 AromaticContact CE1-CG 3.77Å; F168-F172 HydrophobicContact CE1-CG 3.77Å; F168-F172 HydrophobicContact CE2-CD2 4.21Å; F168-F172 HydrophobicContact CZ-CB 4.13Å; F168-F172 AromaticContact CZ-CD2 3.58Å; F168-F172 HydrophobicContact CZ-CD2 3.58Å; F168-F172 HydrophobicContact CZ-CE2 4.06Å; F168-F172 AromaticContact CZ-CG 3.83Å; F168-F172 HydrophobicContact CZ-CG 3.83Å; F168-F172 WeakPolarHBondContact O-CB 3.2Å; F168-F172 PolarHBondContact O-N 2.97Å; E170-F172 VanDerWaalsContact C-N 3.31Å; E170-F172 PolarHBondContact O-N 2.72Å; F172-H174 PolarHBondContact O-N 3.38Å; F172-L175 HydrophobicContact CD2-CD2 4.26Å; F172-L175 WeakPolarHBondContact O-CB 3.15Å; F172-L175 PolarHBondContact O-N 2.66Å; F172-V176 HydrophobicContact CD1-CG2 4.09Å; F172-V176 HydrophobicContact CE1-CG2 3.87Å; F172-V176 HydrophobicContact CZ-CG2 4.34Å; F172-V176 WeakPolarHBondContact O-CG2 3.47Å; F172-V176 PolarHBondContact O-N 3.31Å; F172-L190 HydrophobicContact CE1-CD1 4.02Å; F172-L190 HydrophobicContact CE1-CD2 4.29Å; F172-L190 HydrophobicContact CZ-CD1 4.32Å; F172-L190 HydrophobicContact CZ-CD2 4Å; F172-F203 HydrophobicContact CB-CD2 4.34Å; F172-F203 HydrophobicContact CB-CE2 4.37Å; F172-F203 HydrophobicContact CD1-CB 4.35Å; F172-F203 AromaticContact CD1-CD1 3.51Å; F172-F203 HydrophobicContact CD1-CD1 3.51Å; F172-F203 AromaticContact CD1-CD2 3.7Å; F172-F203 HydrophobicContact CD1-CD2 3.7Å; F172-F203 AromaticContact CD1-CE1 3.6Å; F172-F203 HydrophobicContact CD1-CE1 3.6Å; F172-F203 AromaticContact CD1-CE2 3.79Å; F172-F203 HydrophobicContact CD1-CE2 3.79Å; F172-F203 AromaticContact CD1-CG 3.56Å; F172-F203 HydrophobicContact CD1-CG 3.56Å; F172-F203 AromaticContact CD1-CZ 3.74Å; F172-F203 HydrophobicContact CD1-CZ 3.74Å; F172-F203 AromaticContact CE1-CD1 3.58Å; F172-F203 HydrophobicContact CE1-CD1 3.58Å; F172-F203 AromaticContact CE1-CE1 3.75Å; F172-F203 HydrophobicContact CE1-CE1 3.75Å; F172-F203 HydrophobicContact CE1-CG 4.03Å; F172-F203 HydrophobicContact CE1-CZ 4.33Å; F172-F203 HydrophobicContact CG-CD2 4.5Å
173	K	98.3	Very high	96.4	Very high	71 Å²	71	50.8 Å²	50.8	31%	0.309	23%	0.233	S	C	.	.	H	α-helix	trans	-56.1	-50.9	172	-169.6	179.3	179.3	175.4	0	111.9	V169 E170 L175 V176 E177 F203 W211	V169-K173 PolarHBondContact O-N 3.4Å; V169-K173 VanDerWaalsContact O-N 3.12Å; E170-K173 WeakPolarHBondContact O-CB 3.45Å; E170-K173 PolarHBondContact O-N 3.27Å; K173-L175 VanDerWaalsContact C-N 3.32Å; K173-L175 PolarHBondContact O-N 3.25Å; K173-V176 PolarHBondContact O-N 3.42Å; K173-E177 WeakPolarHBondContact CE-OE1 3.23Å; K173-E177 WeakPolarHBondContact O-CG 3.37Å; K173-E177 PolarHBondContact O-N 3.01Å; K173-F203 HydrophobicContact CB-CE2 3.92Å; K173-F203 HydrophobicContact CB-CZ 4.23Å; K173-W211 VanDerWaalsContact CE-NE1 3.32Å; K173-W211 HydrophobicContact CG-CZ2 3.84Å
174	H	98.2	Very high	96.5	Very high	110 Å²	110	52.3 Å²	52.3	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-61.7	-40.2	177.3	-70.9	-57.6	0	0	0	112.3	E170 K171 F172 V176 E177 E178	E170-H174 PolarHBondContact O-CD2 3.13Å; E170-H174 VanDerWaalsContact O-CD2 3.31Å; E170-H174 PolarHBondContact O-N 2.82Å; K171-H174 PolarHBondContact O-N 3.34Å; F172-H174 PolarHBondContact O-N 3.38Å; H174-V176 PolarHBondContact O-N 2.86Å; H174-E177 PolarHBondContact O-N 2.86Å; H174-E178 WeakPolarHBondContact O-CB 3.24Å; H174-E178 PolarHBondContact O-N 2.94Å
175	L	98.7	Very high	96.5	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-44.9	175	-178.5	62.9	0	0	0	111.6	I47 W114 R152 A154 K171 F172 K173 T179	I47-L175 HydrophobicContact CD1-CD2 4.47Å; I47-L175 HydrophobicContact CD1-CG 4.12Å; I47-L175 HydrophobicContact CG2-CD2 4.1Å; W114-L175 HydrophobicContact CH2-CD2 4.44Å; W114-L175 HydrophobicContact CZ2-CB 4.04Å; W114-L175 HydrophobicContact CZ2-CD2 3.83Å; R152-L175 HydrophobicContact CB-CD1 4.31Å; R152-L175 HydrophobicContact CG-CD1 4.33Å; R152-L175 VanDerWaalsContact NE-CD1 3.27Å; A154-L175 HydrophobicContact CB-CD2 3.93Å; K171-L175 PolarHBondContact O-N 2.62Å; F172-L175 HydrophobicContact CD2-CD2 4.26Å; F172-L175 WeakPolarHBondContact O-CB 3.15Å; F172-L175 PolarHBondContact O-N 2.66Å; K173-L175 VanDerWaalsContact C-N 3.32Å; K173-L175 PolarHBondContact O-N 3.25Å; L175-T179 VanDerWaalsContact O-CB 3.28Å; L175-T179 WeakPolarHBondContact O-CB 3.43Å; L175-T179 PolarHBondContact O-N 2.84Å; L175-T179 PolarHBondContact O-OG1 3.06Å
176	V	98.8	Very high	96.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-45.8	175.6	-178.3	0	0	0	0	111.3	I47 F172 K173 H174 E178 T179 Y180 V188 L190 F203 W211 I216	I47-V176 HydrophobicContact CD1-CB 4.31Å; I47-V176 HydrophobicContact CD1-CG2 3.74Å; F172-V176 HydrophobicContact CD1-CG2 4.09Å; F172-V176 HydrophobicContact CE1-CG2 3.87Å; F172-V176 HydrophobicContact CZ-CG2 4.34Å; F172-V176 WeakPolarHBondContact O-CG2 3.47Å; F172-V176 PolarHBondContact O-N 3.31Å; K173-V176 PolarHBondContact O-N 3.42Å; H174-V176 PolarHBondContact O-N 2.86Å; V176-E178 VanDerWaalsContact C-N 3.34Å; V176-E178 PolarHBondContact O-N 2.95Å; V176-T179 PolarHBondContact O-N 3.47Å; V176-Y180 WeakPolarHBondContact O-CB 3.28Å; V176-Y180 PolarHBondContact O-N 3.2Å; V176-V188 HydrophobicContact CG1-CB 4.1Å; V176-V188 HydrophobicContact CG1-CG2 3.8Å; V176-L190 HydrophobicContact CG2-CD2 4.11Å; V176-F203 HydrophobicContact CG2-CE1 4.4Å; V176-F203 HydrophobicContact CG2-CZ 4.46Å; V176-W211 HydrophobicContact CB-CH2 3.79Å; V176-W211 HydrophobicContact CB-CZ2 3.95Å; V176-W211 HydrophobicContact CG1-CH2 3.64Å; V176-W211 HydrophobicContact CG1-CZ2 3.98Å; V176-W211 HydrophobicContact CG2-CH2 4.03Å; V176-I216 HydrophobicContact CG1-CD1 3.86Å
177	E	98.8	Very high	97	Very high	43 Å²	43	53.4 Å²	53.4	20%	0.201	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-33.2	-178	-69.4	176.3	-178.6	0	0	113.2	K173 H174 K181 W211 Y215	K173-E177 WeakPolarHBondContact CE-OE1 3.23Å; K173-E177 WeakPolarHBondContact O-CG 3.37Å; K173-E177 PolarHBondContact O-N 3.01Å; H174-E177 PolarHBondContact O-N 2.86Å; E177-K181 WeakPolarHBondContact O-CG 3.44Å; E177-W211 HydrophobicContact CG-CZ2 4.24Å; E177-W211 PolarHBondContact OE1-NE1 3.01Å; E177-Y215 HydrophobicContact CB-CE1 4.21Å; E177-Y215 HydrophobicContact CG-CD1 4.14Å; E177-Y215 HydrophobicContact CG-CE1 3.82Å; E177-Y215 HydrophobicContact CG-CE2 4.22Å; E177-Y215 HydrophobicContact CG-CG 4.49Å
178	E	98.7	Very high	97.3	Very high	82 Å²	82	46.7 Å²	46.7	38%	0.383	22%	0.22	S	C	.	.	H	α-helix	trans	-69.1	-48.1	170.4	-174.2	-163.1	173.9	0	0	111.1	R152 H174 V176 Y180 K181 N182	R152-E178 IonicContact CZ-OE1 3.56Å; R152-E178 IonicContact CZ-OE2 2.73Å; R152-E178 IonicContact NH1-OE1 2.82Å; R152-E178 IonicContact NH2-OE1 3.4Å; R152-E178 PolarHBondContact NH2-OE1 3Å; R152-E178 IonicContact NH2-OE2 3.57Å; R152-E178 PolarHBondContact NH2-OE2 3.03Å; H174-E178 WeakPolarHBondContact O-CB 3.24Å; H174-E178 PolarHBondContact O-N 2.94Å; V176-E178 VanDerWaalsContact C-N 3.34Å; V176-E178 PolarHBondContact O-N 2.95Å; E178-Y180 VanDerWaalsContact C-N 3.29Å; E178-Y180 PolarHBondContact O-N 2.88Å; E178-K181 PolarHBondContact O-N 3.1Å; E178-K181 VanDerWaalsContact O-N 3.1Å; E178-N182 VanDerWaalsContact O-CG 3.31Å; E178-N182 PolarHBondContact O-N 3Å
179	T	98.7	Very high	97.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-37.6	-178.6	-52.5	0	0	0	0	111.6	P45 I47 R152 L175 V176 N182 G183 V188	P45-T179 HydrophobicContact CB-CG2 3.69Å; P45-T179 HydrophobicContact CG-CG2 4.18Å; I47-T179 HydrophobicContact CD1-CG2 4.33Å; I47-T179 HydrophobicContact CG1-CG2 4.04Å; R152-T179 HydrophobicContact CG-CG2 3.94Å; R152-T179 WeakPolarHBondContact CG-OG1 3.37Å; L175-T179 VanDerWaalsContact O-CB 3.28Å; L175-T179 WeakPolarHBondContact O-CB 3.43Å; L175-T179 PolarHBondContact O-N 2.84Å; L175-T179 PolarHBondContact O-OG1 3.06Å; V176-T179 PolarHBondContact O-N 3.47Å; T179-N182 PolarHBondContact O-N 3.15Å; T179-G183 PolarHBondContact O-N 3.06Å; T179-V188 HydrophobicContact CG2-CG1 3.98Å; T179-V188 HydrophobicContact CG2-CG2 4.24Å
180	Y	98.6	Very high	97.7	Very high	36 Å²	36	45.1 Å²	45.1	14%	0.141	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-49.6	172.1	172.9	-84.9	0	0	0	111.9	V176 E178 G183 D185 R186 K214 Y215	V176-Y180 WeakPolarHBondContact O-CB 3.28Å; V176-Y180 PolarHBondContact O-N 3.2Å; E178-Y180 VanDerWaalsContact C-N 3.29Å; E178-Y180 PolarHBondContact O-N 2.88Å; Y180-G183 PolarHBondContact O-N 2.84Å; Y180-D185 HydrophobicContact CD1-CB 4.33Å; Y180-D185 VanDerWaalsContact CE1-CA 3.46Å; Y180-D185 HydrophobicContact CE1-CB 3.58Å; Y180-D185 WeakPolarHBondContact CE1-OD1 3.17Å; Y180-D185 VanDerWaalsContact CZ-C 3.5Å; Y180-D185 VanDerWaalsContact CZ-O 3.23Å; Y180-D185 VanDerWaalsContact O-CA 3.24Å; Y180-D185 WeakPolarHBondContact O-CA 3.5Å; Y180-D185 PolarHBondContact O-N 3.21Å; Y180-D185 PolarHBondContact OH-O 3.1Å; Y180-R186 VanDerWaalsContact CD2-O 3.22Å; Y180-R186 WeakPolarHBondContact CD2-O 3.35Å; Y180-R186 PolarHBondContact O-N 3.3Å; Y180-K214 HydrophobicContact CE2-CG 4.45Å; Y180-K214 VanDerWaalsContact CE2-O 3.31Å; Y180-K214 WeakPolarHBondContact CE2-O 3.41Å; Y180-Y215 HydrophobicContact CD1-CD1 4.2Å; Y180-Y215 AromaticContact CD1-CE1 3.9Å; Y180-Y215 HydrophobicContact CD1-CE1 3.9Å; Y180-Y215 AromaticContact CD2-CD1 3.65Å; Y180-Y215 HydrophobicContact CD2-CD1 3.65Å; Y180-Y215 HydrophobicContact CD2-CE1 4.14Å; Y180-Y215 HydrophobicContact CE1-CE1 4.35Å; Y180-Y215 HydrophobicContact CE2-CD1 4.27Å; Y180-Y215 AromaticContact CG-CD1 3.62Å; Y180-Y215 HydrophobicContact CG-CD1 3.62Å; Y180-Y215 AromaticContact CG-CE1 3.8Å; Y180-Y215 HydrophobicContact CG-CE1 3.8Å
181	K	98.3	Very high	98	Very high	139 Å²	139	38.9 Å²	38.9	60%	0.604	18%	0.182	S	C	*	.	H	α-helix	trans	-65.8	-46.5	179.2	-68.1	175.3	-178.8	178.2	0	111.3	E177 E178 G183 L184	E177-K181 WeakPolarHBondContact O-CG 3.44Å; E178-K181 PolarHBondContact O-N 3.1Å; E178-K181 VanDerWaalsContact O-N 3.1Å; K181-G183 PolarHBondContact O-N 3.43Å; K181-L184 PolarHBondContact O-N 3.36Å
182	N	97	Very high	98.1	Very high	25 Å²	25	34.4 Å²	34.4	13%	0.134	16%	0.163	C	C	.	.	H	α-helix	trans	-58.7	-34.4	176.4	-66.7	-10.2	0	0	0	111.8	F149 T150 E178 T179 L184	F149-N182 HydrophobicContact CD1-CB 3.98Å; F149-N182 HydrophobicContact CD2-CB 4.1Å; F149-N182 HydrophobicContact CE1-CB 3.7Å; F149-N182 WeakPolarHBondContact CE1-O 3.49Å; F149-N182 HydrophobicContact CE2-CB 3.87Å; F149-N182 VanDerWaalsContact CE2-OD1 3.31Å; F149-N182 WeakPolarHBondContact CE2-OD1 3.26Å; F149-N182 HydrophobicContact CG-CB 4.14Å; F149-N182 HydrophobicContact CZ-CB 3.65Å; F149-N182 VanDerWaalsContact O-CB 3.27Å; F149-N182 WeakPolarHBondContact O-CB 3.41Å; F149-N182 PolarHBondContact O-ND2 2.7Å; F149-N182 VanDerWaalsContact O-ND2 3.13Å; T150-N182 WeakPolarHBondContact CG2-O 3.36Å; E178-N182 VanDerWaalsContact O-CG 3.31Å; E178-N182 PolarHBondContact O-N 3Å; T179-N182 PolarHBondContact O-N 3.15Å; N182-L184 PolarHBondContact O-N 2.77Å
183	G	96	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	17.1	174.5	0	0	0	0	0	116	T179 Y180 K181 R186	T179-G183 PolarHBondContact O-N 3.06Å; Y180-G183 PolarHBondContact O-N 2.84Å; K181-G183 PolarHBondContact O-N 3.43Å; G183-R186 WeakPolarHBondContact O-CB 3.37Å; G183-R186 VanDerWaalsContact O-CD 3.22Å; G183-R186 WeakPolarHBondContact O-CD 3.31Å; G183-R186 WeakPolarHBondContact O-CG 3.46Å
184	L	95.7	Very high	98.1	Very high	44 Å²	44	31.8 Å²	31.8	23%	0.23	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	46.6	-175.9	-51.1	174.8	0	0	0	113.1	L32 T33 K181 N182 R186	L32-L184 HydrophobicContact CB-CD1 4.45Å; L32-L184 HydrophobicContact CB-CD2 4.35Å; T33-L184 HydrophobicContact CG2-CD2 3.95Å; K181-L184 PolarHBondContact O-N 3.36Å; N182-L184 PolarHBondContact O-N 2.77Å; L184-R186 VanDerWaalsContact C-N 3.28Å; L184-R186 PolarHBondContact O-N 3.34Å
185	D	97.1	Very high	98.1	Very high	98 Å²	98	26.6 Å²	26.6	52%	0.524	13%	0.129	S	C	.	.	S	Bend	trans	54.9	40.1	-176.4	-66.7	-51.2	0	0	0	113.4	Y180	Y180-D185 HydrophobicContact CD1-CB 4.33Å; Y180-D185 VanDerWaalsContact CE1-CA 3.46Å; Y180-D185 HydrophobicContact CE1-CB 3.58Å; Y180-D185 WeakPolarHBondContact CE1-OD1 3.17Å; Y180-D185 VanDerWaalsContact CZ-C 3.5Å; Y180-D185 VanDerWaalsContact CZ-O 3.23Å; Y180-D185 VanDerWaalsContact O-CA 3.24Å; Y180-D185 WeakPolarHBondContact O-CA 3.5Å; Y180-D185 PolarHBondContact O-N 3.21Å; Y180-D185 PolarHBondContact OH-O 3.1Å
186	R	96.8	Very high	98	Very high	37 Å²	37	26.5 Å²	26.5	14%	0.14	13%	0.129	C	C	.	.			trans	-105.6	141.1	179.9	-63.6	177.4	-169.6	167	2.6	111.5	N36 K43 Y44 Y180 G183 L184	N36-R186 VanDerWaalsContact CG-NH2 3.33Å; N36-R186 PolarHBondContact ND2-NH2 2.87Å; N36-R186 PolarHBondContact OD1-NH1 3.39Å; N36-R186 PolarHBondContact OD1-NH2 2.99Å; K43-R186 WeakPolarHBondContact O-CD 3.47Å; K43-R186 PolarHBondContact O-NH1 2.73Å; Y44-R186 HydrophobicContact CD1-CB 4.17Å; Y180-R186 VanDerWaalsContact CD2-O 3.22Å; Y180-R186 WeakPolarHBondContact CD2-O 3.35Å; Y180-R186 PolarHBondContact O-N 3.3Å; G183-R186 WeakPolarHBondContact O-CB 3.37Å; G183-R186 VanDerWaalsContact O-CD 3.22Å; G183-R186 WeakPolarHBondContact O-CD 3.31Å; G183-R186 WeakPolarHBondContact O-CG 3.46Å; L184-R186 VanDerWaalsContact C-N 3.28Å; L184-R186 PolarHBondContact O-N 3.34Å
187	P	98	Very high	98	Very high	35 Å²	35	26.5 Å²	26.5	23%	0.227	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-62	142.9	178.5	27	-35	0	0	0	111.6	Y44 K217	Y44-P187 HydrophobicContact CD1-CG 4.01Å; Y44-P187 WeakPolarHBondContact CD1-O 3.26Å; Y44-P187 HydrophobicContact CE1-CG 3.91Å; P187-K217 HydrophobicContact CB-CB 4.02Å; P187-K217 HydrophobicContact CG-CB 4.09Å
188	V	98.6	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140.2	-167.5	-171.3	0	0	0	0	111.2	P45 I47 V176 T179 L190 Y215 I216 K217	P45-V188 HydrophobicContact CG-CB 4.4Å; P45-V188 HydrophobicContact CG-CG1 4.43Å; P45-V188 HydrophobicContact CG-CG2 4.01Å; I47-V188 HydrophobicContact CD1-CG1 3.8Å; I47-V188 HydrophobicContact CG1-CG1 3.82Å; V176-V188 HydrophobicContact CG1-CB 4.1Å; V176-V188 HydrophobicContact CG1-CG2 3.8Å; T179-V188 HydrophobicContact CG2-CG1 3.98Å; T179-V188 HydrophobicContact CG2-CG2 4.24Å; V188-L190 HydrophobicContact CG1-CD2 4.09Å; V188-Y215 PolarHBondContact N-O 2.96Å; V188-I216 WeakPolarHBondContact O-CA 3.41Å; V188-K217 PolarHBondContact O-N 3.13Å
189	V	98.6	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.9	168.2	178.1	0	0	0	0	109.6	P45 I46 I47 K217 S218 L220 M408	P45-V189 PolarHBondContact O-N 3.45Å; I46-V189 WeakPolarHBondContact CA-O 3.21Å; I46-V189 HydrophobicContact CB-CB 4.48Å; I46-V189 HydrophobicContact CG1-CB 4.35Å; I46-V189 HydrophobicContact CG1-CG1 4.36Å; I47-V189 PolarHBondContact N-O 3.44Å; V189-K217 HydrophobicContact CG2-CB 4Å; V189-K217 HydrophobicContact CG2-CG 4.03Å; V189-S218 WeakPolarHBondContact CG1-OG 3.15Å; V189-S218 WeakPolarHBondContact CG2-OG 3.11Å; V189-L220 HydrophobicContact CG1-CD1 3.66Å; V189-L220 HydrophobicContact CG1-CD2 4.46Å; V189-M408 HydrophobicContact CB-CE 3.73Å; V189-M408 HydrophobicContact CB-SD 3.55Å; V189-M408 VanDerWaalsContact CB-SD 3.55Å; V189-M408 HydrophobicContact CG1-CE 4.46Å; V189-M408 HydrophobicContact CG1-SD 3.62Å; V189-M408 HydrophobicContact CG2-CE 3.57Å; V189-M408 HydrophobicContact CG2-SD 3.55Å; V189-M408 VanDerWaalsContact CG2-SD 3.55Å
190	L	98.8	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122	174.5	-53.1	-173.5	0	0	0	109.1	I47 I49 F172 V176 V188 T200 L204 I216 S218 F219 L220	I47-L190 HydrophobicContact CB-CD2 4.16Å; I47-L190 HydrophobicContact CD1-CD2 4.04Å; I47-L190 HydrophobicContact CG1-CD2 4.49Å; I49-L190 HydrophobicContact CD1-CB 4.17Å; F172-L190 HydrophobicContact CE1-CD1 4.02Å; F172-L190 HydrophobicContact CE1-CD2 4.29Å; F172-L190 HydrophobicContact CZ-CD1 4.32Å; F172-L190 HydrophobicContact CZ-CD2 4Å; V176-L190 HydrophobicContact CG2-CD2 4.11Å; V188-L190 HydrophobicContact CG1-CD2 4.09Å; L190-T200 HydrophobicContact CB-CG2 3.92Å; L190-T200 HydrophobicContact CD1-CG2 3.74Å; L190-L204 HydrophobicContact CD1-CD1 4.47Å; L190-L204 HydrophobicContact CD1-CD2 4.16Å; L190-L204 HydrophobicContact CD1-CG 4.46Å; L190-I216 HydrophobicContact CD1-CD1 3.69Å; L190-I216 HydrophobicContact CD2-CD1 4.25Å; L190-I216 HydrophobicContact CG-CD1 3.96Å; L190-S218 PolarHBondContact N-O 2.86Å; L190-F219 HydrophobicContact CB-CD2 4.41Å; L190-F219 CarbonylContact O-C 3.57Å; L190-F219 WeakPolarHBondContact O-CA 3.46Å; L190-L220 PolarHBondContact O-N 3.36Å
191	L	98.8	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	98.6	175.7	-166.4	172.2	0	0	0	108.8	I46 I47 L48 I49 F132 L135 L220 V222 F400 V404	I46-L191 HydrophobicContact CD1-CB 4.17Å; I46-L191 HydrophobicContact CD1-CD1 4.06Å; I47-L191 PolarHBondContact O-N 3.05Å; L48-L191 HydrophobicContact CD2-CB 4.1Å; L48-L191 HydrophobicContact CD2-CD1 4.01Å; I49-L191 WeakPolarHBondContact CD1-O 3.19Å; I49-L191 PolarHBondContact N-O 3.09Å; F132-L191 HydrophobicContact CE1-CD2 3.7Å; F132-L191 HydrophobicContact CZ-CD2 4.04Å; L135-L191 HydrophobicContact CD2-CD1 3.6Å; L191-L220 HydrophobicContact CB-CB 4.37Å; L191-L220 HydrophobicContact CD1-CD2 4.46Å; L191-L220 HydrophobicContact CG-CB 4.12Å; L191-L220 HydrophobicContact CG-CD2 4.47Å; L191-V222 HydrophobicContact CD2-CG2 3.74Å; L191-V222 HydrophobicContact CG-CG2 4.2Å; L191-F400 HydrophobicContact CD1-CZ 4.05Å; L191-F400 HydrophobicContact CD2-CZ 4.42Å; L191-V404 HydrophobicContact CD1-CG1 4.37Å; L191-V404 HydrophobicContact CD1-CG2 4.02Å
192	G	98.6	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137	171.2	0	0	0	0	0	110.2	S197 L220 V222	G192-S197 PolarHBondContact O-OG 3.34Å; G192-L220 PolarHBondContact N-O 3.16Å; G192-V222 WeakPolarHBondContact O-CB 3.49Å; G192-V222 WeakPolarHBondContact O-CG2 3.33Å; G192-V222 PolarHBondContact O-N 2.84Å
193	H	98.6	Very high	97.9	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.009	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.7	169.1	178.3	-97.2	0	0	0	111.2	I49 P50 G51 Y131 F132 L195 G196 V222 H391 L395	I49-H193 PolarHBondContact O-N 3.11Å; P50-H193 CarbonylContact C-O 3.5Å; G51-H193 WeakPolarHBondContact CA-O 3.34Å; G51-H193 PolarHBondContact N-O 3.09Å; Y131-H193 AromaticContact CZ-ND1 3.62Å; Y131-H193 PolarHBondContact OH-ND1 2.98Å; F132-H193 HydrophobicContact CZ-CB 4.04Å; H193-L195 PolarHBondContact O-N 3.07Å; H193-G196 WeakPolarHBondContact O-CA 3.37Å; H193-G196 PolarHBondContact O-N 3.32Å; H193-V222 CarbonylContact C-O 3.53Å; H193-V222 WeakPolarHBondContact CA-O 3.47Å; H193-H391 PolarHBondContact NE2-O 3.35Å; H193-L395 HydrophobicContact CB-CD1 4.28Å; H193-L395 HydrophobicContact CB-CD2 4.23Å
194	S	98.2	Very high	98	Very high	14 Å²	14	12.8 Å²	12.8	10%	0.098	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-124	177.6	-176.4	0	0	0	0	111.3	G196 S197 V222 S223 H391	S194-G196 PolarHBondContact O-N 3.18Å; S194-G196 VanDerWaalsContact O-N 3.13Å; S194-S197 VanDerWaalsContact O-CB 3.24Å; S194-S197 WeakPolarHBondContact O-CB 3.42Å; S194-S197 PolarHBondContact O-N 2.94Å; S194-S197 PolarHBondContact O-OG 3.46Å; S194-V222 PolarHBondContact N-O 3.37Å; S194-S223 WeakPolarHBondContact CA-O 3.24Å; S194-H391 VanDerWaalsContact CB-NE2 3.3Å; S194-H391 WeakPolarHBondContact CB-NE2 3.21Å; S194-H391 PolarHBondContact OG-CE1 3.46Å; S194-H391 PolarHBondContact OG-NE2 3.09Å
195	L	98	Very high	98	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-52.2	-31.1	173.1	-178.2	65.7	0	0	0	113.5	M52 Y156 H193 S197 L198 Y199 V264	M52-L195 HydrophobicContact CB-CB 4.44Å; M52-L195 HydrophobicContact CB-CD2 4.04Å; M52-L195 HydrophobicContact CE-CD2 4.48Å; M52-L195 HydrophobicContact CG-CD2 4.49Å; Y156-L195 HydrophobicContact CE2-CD2 4.18Å; H193-L195 PolarHBondContact O-N 3.07Å; L195-S197 PolarHBondContact O-N 2.97Å; L195-L198 HydrophobicContact CD1-CD1 4.38Å; L195-L198 WeakPolarHBondContact O-CB 3.08Å; L195-L198 PolarHBondContact O-N 3.41Å; L195-Y199 HydrophobicContact CD1-CD2 4.28Å; L195-Y199 HydrophobicContact CD1-CE2 4.32Å; L195-Y199 HydrophobicContact CD2-CE2 4.22Å; L195-Y199 HydrophobicContact CG-CD2 3.97Å; L195-Y199 HydrophobicContact CG-CE2 4.06Å; L195-Y199 PolarHBondContact O-N 3.17Å; L195-V264 HydrophobicContact CD1-CG1 4.22Å
196	G	98.4	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.7	-28.4	176.1	0	0	0	0	0	113.5	P50 Y156 H193 S194 T200	P50-G196 WeakPolarHBondContact O-CA 3.4Å; P50-G196 PolarHBondContact O-N 3.4Å; P50-G196 VanDerWaalsContact O-N 3.16Å; Y156-G196 PolarHBondContact OH-N 2.96Å; H193-G196 WeakPolarHBondContact O-CA 3.37Å; H193-G196 PolarHBondContact O-N 3.32Å; S194-G196 PolarHBondContact O-N 3.18Å; S194-G196 VanDerWaalsContact O-N 3.13Å; G196-T200 WeakPolarHBondContact O-CB 3.44Å; G196-T200 PolarHBondContact O-N 2.78Å; G196-T200 PolarHBondContact O-OG1 3.09Å
197	S	98.4	Very high	97.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.1	-38.2	171.5	-55.5	0	0	0	0	111.5	G192 S194 L195 T200 L201 F219 V222 A224	G192-S197 PolarHBondContact O-OG 3.34Å; S194-S197 VanDerWaalsContact O-CB 3.24Å; S194-S197 WeakPolarHBondContact O-CB 3.42Å; S194-S197 PolarHBondContact O-N 2.94Å; S194-S197 PolarHBondContact O-OG 3.46Å; L195-S197 PolarHBondContact O-N 2.97Å; S197-T200 PolarHBondContact O-N 3.03Å; S197-L201 VanDerWaalsContact O-CB 3.29Å; S197-L201 WeakPolarHBondContact O-CB 3.3Å; S197-L201 PolarHBondContact O-N 2.94Å; S197-F219 WeakPolarHBondContact O-CZ 3.38Å; S197-V222 PolarHBondContact OG-N 3.2Å; S197-V222 PolarHBondContact OG-O 2.92Å; S197-A224 VanDerWaalsContact CB-CB 3.44Å
198	L	98.1	Very high	97.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.6	-40.5	175.4	-57.2	-170	0	0	0	111.8	P162 L195 T200 L201 Y202 P225 L226 V264 F313 P315	P162-L198 HydrophobicContact CG-CB 4.46Å; L195-L198 HydrophobicContact CD1-CD1 4.38Å; L195-L198 WeakPolarHBondContact O-CB 3.08Å; L195-L198 PolarHBondContact O-N 3.41Å; L198-T200 VanDerWaalsContact C-N 3.34Å; L198-L201 PolarHBondContact O-N 3.37Å; L198-Y202 WeakPolarHBondContact O-CB 3.33Å; L198-Y202 PolarHBondContact O-N 3.21Å; L198-P225 HydrophobicContact CD1-CG 4.14Å; L198-P225 HydrophobicContact CG-CG 4.46Å; L198-L226 HydrophobicContact CD2-CD2 3.98Å; L198-V264 HydrophobicContact CD1-CG1 3.92Å; L198-F313 HydrophobicContact CB-CE1 4.39Å; L198-P315 HydrophobicContact CD2-CB 3.87Å
199	Y	98.4	Very high	97.8	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-58.8	-44.8	170.9	-96.1	-100.2	0	0	0	112	Y156 D157 K160 P162 N165 F168 L195 F203	Y156-Y199 HydrophobicContact CD2-CD1 4.17Å; Y156-Y199 HydrophobicContact CD2-CD2 4.3Å; Y156-Y199 AromaticContact CD2-CE1 3.6Å; Y156-Y199 HydrophobicContact CD2-CE1 3.6Å; Y156-Y199 AromaticContact CD2-CE2 3.77Å; Y156-Y199 HydrophobicContact CD2-CE2 3.77Å; Y156-Y199 HydrophobicContact CD2-CG 4.48Å; Y156-Y199 AromaticContact CD2-CZ 3.35Å; Y156-Y199 WeakPolarHBondContact CD2-OH 3.13Å; Y156-Y199 HydrophobicContact CE1-CG 4.39Å; Y156-Y199 HydrophobicContact CE2-CD1 4.22Å; Y156-Y199 AromaticContact CE2-CD2 3.58Å; Y156-Y199 HydrophobicContact CE2-CD2 3.58Å; Y156-Y199 AromaticContact CE2-CE1 3.9Å; Y156-Y199 HydrophobicContact CE2-CE1 3.9Å; Y156-Y199 AromaticContact CE2-CE2 3.21Å; Y156-Y199 HydrophobicContact CE2-CE2 3.21Å; Y156-Y199 HydrophobicContact CE2-CG 4.07Å; Y156-Y199 AromaticContact CE2-CZ 3.36Å; Y156-Y199 HydrophobicContact CG-CD1 4.37Å; Y156-Y199 HydrophobicContact CG-CE1 4.06Å; Y156-Y199 AromaticContact CZ-CD2 3.72Å; Y156-Y199 AromaticContact CZ-CE2 3.87Å; D157-Y199 PolarHBondContact O-OH 2.6Å; K160-Y199 WeakPolarHBondContact O-CE2 3.48Å; K160-Y199 PolarHBondContact O-OH 3.47Å; P162-Y199 HydrophobicContact CB-CD2 4.46Å; P162-Y199 HydrophobicContact CB-CG 4.49Å; P162-Y199 HydrophobicContact CG-CD2 3.68Å; P162-Y199 HydrophobicContact CG-CE2 3.91Å; P162-Y199 HydrophobicContact CG-CG 4.1Å; N165-Y199 HydrophobicContact CB-CE1 3.9Å; N165-Y199 WeakPolarHBondContact CB-OH 3.39Å; N165-Y199 PolarHBondContact ND2-OH 3.44Å; F168-Y199 HydrophobicContact CB-CD1 4.36Å; F168-Y199 HydrophobicContact CB-CE1 4.12Å; F168-Y199 AromaticContact CD1-CD1 3.64Å; F168-Y199 HydrophobicContact CD1-CD1 3.64Å; F168-Y199 HydrophobicContact CD1-CE1 4.25Å; F168-Y199 AromaticContact CD2-CD1 3.93Å; F168-Y199 HydrophobicContact CD2-CD1 3.93Å; F168-Y199 HydrophobicContact CD2-CE1 4.1Å; F168-Y199 AromaticContact CE1-CD1 3.8Å; F168-Y199 HydrophobicContact CE1-CD1 3.8Å; F168-Y199 HydrophobicContact CE2-CD1 4.08Å; F168-Y199 AromaticContact CG-CD1 3.69Å; F168-Y199 HydrophobicContact CG-CD1 3.69Å; F168-Y199 AromaticContact CG-CE1 3.89Å; F168-Y199 HydrophobicContact CG-CE1 3.89Å; F168-Y199 HydrophobicContact CZ-CD1 4.02Å; L195-Y199 HydrophobicContact CD1-CD2 4.28Å; L195-Y199 HydrophobicContact CD1-CE2 4.32Å; L195-Y199 HydrophobicContact CD2-CE2 4.22Å; L195-Y199 HydrophobicContact CG-CD2 3.97Å; L195-Y199 HydrophobicContact CG-CE2 4.06Å; L195-Y199 PolarHBondContact O-N 3.17Å; Y199-F203 WeakPolarHBondContact O-CB 3.3Å; Y199-F203 PolarHBondContact O-N 3.24Å
200	T	98.5	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.3	-43.4	178.3	-56.3	0	0	0	0	111.4	L190 G196 S197 L198 F203 L204 F219	L190-T200 HydrophobicContact CB-CG2 3.92Å; L190-T200 HydrophobicContact CD1-CG2 3.74Å; G196-T200 WeakPolarHBondContact O-CB 3.44Å; G196-T200 PolarHBondContact O-N 2.78Å; G196-T200 PolarHBondContact O-OG1 3.09Å; S197-T200 PolarHBondContact O-N 3.03Å; L198-T200 VanDerWaalsContact C-N 3.34Å; T200-F203 PolarHBondContact O-N 3.35Å; T200-L204 HydrophobicContact CG2-CD1 3.81Å; T200-L204 HydrophobicContact CG2-CG 4.41Å; T200-L204 WeakPolarHBondContact O-CB 3.32Å; T200-L204 WeakPolarHBondContact O-CD1 3.41Å; T200-L204 WeakPolarHBondContact O-CG 3.14Å; T200-L204 PolarHBondContact O-N 3.4Å; T200-F219 HydrophobicContact CG2-CD2 3.46Å; T200-F219 VanDerWaalsContact CG2-CD2 3.46Å; T200-F219 HydrophobicContact CG2-CE1 4.5Å; T200-F219 HydrophobicContact CG2-CE2 3.38Å; T200-F219 HydrophobicContact CG2-CG 4.11Å; T200-F219 HydrophobicContact CG2-CZ 3.94Å
201	L	97.6	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.8	-45.8	176	178.7	56.4	0	0	0	111.8	S197 L198 F203 L204 K205 F219 L226 F313 P315 P319 W378	S197-L201 VanDerWaalsContact O-CB 3.29Å; S197-L201 WeakPolarHBondContact O-CB 3.3Å; S197-L201 PolarHBondContact O-N 2.94Å; L198-L201 PolarHBondContact O-N 3.37Å; L201-F203 PolarHBondContact O-N 3.31Å; L201-L204 PolarHBondContact O-N 3.12Å; L201-K205 PolarHBondContact O-N 3.02Å; L201-F219 HydrophobicContact CB-CE1 4.37Å; L201-L226 HydrophobicContact CD2-CD2 4.04Å; L201-F313 HydrophobicContact CB-CZ 3.99Å; L201-F313 HydrophobicContact CD2-CE2 4.34Å; L201-F313 HydrophobicContact CD2-CZ 3.86Å; L201-F313 HydrophobicContact CG-CE2 3.92Å; L201-F313 HydrophobicContact CG-CZ 3.67Å; L201-P315 WeakPolarHBondContact CD2-O 3.44Å; L201-P319 HydrophobicContact CD1-CB 3.58Å; L201-P319 HydrophobicContact CD1-CG 3.92Å; L201-W378 HydrophobicContact CD2-CH2 4.04Å; L201-W378 HydrophobicContact CD2-CZ2 4.23Å
202	Y	97.7	Very high	97.8	Very high	36 Å²	36	27.9 Å²	27.9	14%	0.141	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-44.5	175	-179.6	-106.1	0	0	0	112	P162 V169 L198 K205 N206 F313	P162-Y202 HydrophobicContact CB-CD1 3.53Å; P162-Y202 HydrophobicContact CB-CD2 4.21Å; P162-Y202 HydrophobicContact CB-CE1 4.23Å; P162-Y202 HydrophobicContact CB-CG 3.51Å; P162-Y202 WeakPolarHBondContact O-CE1 3.22Å; V169-Y202 HydrophobicContact CG2-CD1 3.98Å; V169-Y202 HydrophobicContact CG2-CE1 3.72Å; L198-Y202 WeakPolarHBondContact O-CB 3.33Å; L198-Y202 PolarHBondContact O-N 3.21Å; Y202-K205 PolarHBondContact O-N 2.95Å; Y202-N206 PolarHBondContact O-N 2.68Å; Y202-N206 PolarHBondContact O-ND2 3.47Å; Y202-F313 HydrophobicContact CD2-CB 3.77Å; Y202-F313 HydrophobicContact CD2-CD1 4.19Å; Y202-F313 AromaticContact CD2-CD2 3.7Å; Y202-F313 HydrophobicContact CD2-CD2 3.7Å; Y202-F313 HydrophobicContact CD2-CE2 4.3Å; Y202-F313 AromaticContact CD2-CG 3.64Å; Y202-F313 HydrophobicContact CD2-CG 3.64Å; Y202-F313 HydrophobicContact CE2-CB 4.05Å; Y202-F313 HydrophobicContact CE2-CG 4.41Å; Y202-F313 HydrophobicContact CG-CG 4.49Å
203	F	97.9	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.1	-49.2	173.7	169.5	-101.4	0	0	0	111.9	V169 F172 K173 V176 Y199 T200 L201 K205 N206 Q207 W211	V169-F203 HydrophobicContact CG1-CD2 4.06Å; V169-F203 WeakPolarHBondContact O-CE2 3.43Å; F172-F203 HydrophobicContact CB-CD2 4.34Å; F172-F203 HydrophobicContact CB-CE2 4.37Å; F172-F203 HydrophobicContact CD1-CB 4.35Å; F172-F203 AromaticContact CD1-CD1 3.51Å; F172-F203 HydrophobicContact CD1-CD1 3.51Å; F172-F203 AromaticContact CD1-CD2 3.7Å; F172-F203 HydrophobicContact CD1-CD2 3.7Å; F172-F203 AromaticContact CD1-CE1 3.6Å; F172-F203 HydrophobicContact CD1-CE1 3.6Å; F172-F203 AromaticContact CD1-CE2 3.79Å; F172-F203 HydrophobicContact CD1-CE2 3.79Å; F172-F203 AromaticContact CD1-CG 3.56Å; F172-F203 HydrophobicContact CD1-CG 3.56Å; F172-F203 AromaticContact CD1-CZ 3.74Å; F172-F203 HydrophobicContact CD1-CZ 3.74Å; F172-F203 AromaticContact CE1-CD1 3.58Å; F172-F203 HydrophobicContact CE1-CD1 3.58Å; F172-F203 AromaticContact CE1-CE1 3.75Å; F172-F203 HydrophobicContact CE1-CE1 3.75Å; F172-F203 HydrophobicContact CE1-CG 4.03Å; F172-F203 HydrophobicContact CE1-CZ 4.33Å; F172-F203 HydrophobicContact CG-CD2 4.5Å; K173-F203 HydrophobicContact CB-CE2 3.92Å; K173-F203 HydrophobicContact CB-CZ 4.23Å; V176-F203 HydrophobicContact CG2-CE1 4.4Å; V176-F203 HydrophobicContact CG2-CZ 4.46Å; Y199-F203 WeakPolarHBondContact O-CB 3.3Å; Y199-F203 PolarHBondContact O-N 3.24Å; T200-F203 PolarHBondContact O-N 3.35Å; L201-F203 PolarHBondContact O-N 3.31Å; F203-K205 VanDerWaalsContact C-N 3.32Å; F203-K205 PolarHBondContact O-N 3.42Å; F203-N206 CarbonylContact O-C 3.6Å; F203-N206 WeakPolarHBondContact O-CA 3.4Å; F203-N206 PolarHBondContact O-N 3.18Å; F203-Q207 HydrophobicContact CD1-CG 4.44Å; F203-Q207 HydrophobicContact CD2-CG 4.44Å; F203-Q207 HydrophobicContact CE1-CG 3.91Å; F203-Q207 HydrophobicContact CE2-CG 3.91Å; F203-Q207 VanDerWaalsContact CE2-NE2 3.27Å; F203-Q207 HydrophobicContact CZ-CG 3.61Å; F203-Q207 WeakPolarHBondContact O-CG 3.4Å; F203-Q207 PolarHBondContact O-N 3.22Å; F203-W211 AromaticContact CE1-CH2 3.58Å; F203-W211 HydrophobicContact CE1-CH2 3.58Å; F203-W211 AromaticContact CE1-CZ3 3.7Å; F203-W211 HydrophobicContact CE1-CZ3 3.7Å; F203-W211 AromaticContact CZ-CH2 3.4Å; F203-W211 HydrophobicContact CZ-CH2 3.4Å; F203-W211 VanDerWaalsContact CZ-CH2 3.4Å; F203-W211 HydrophobicContact CZ-CZ2 4.02Å; F203-W211 AromaticContact CZ-CZ3 3.83Å; F203-W211 HydrophobicContact CZ-CZ3 3.83Å
204	L	97.6	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-30.3	-177.8	-71.2	165.4	0	0	0	113.2	L190 T200 L201 N206 Q207 K212 I216 F219 P319 V322	L190-L204 HydrophobicContact CD1-CD1 4.47Å; L190-L204 HydrophobicContact CD1-CD2 4.16Å; L190-L204 HydrophobicContact CD1-CG 4.46Å; T200-L204 HydrophobicContact CG2-CD1 3.81Å; T200-L204 HydrophobicContact CG2-CG 4.41Å; T200-L204 WeakPolarHBondContact O-CB 3.32Å; T200-L204 WeakPolarHBondContact O-CD1 3.41Å; T200-L204 WeakPolarHBondContact O-CG 3.14Å; T200-L204 PolarHBondContact O-N 3.4Å; L201-L204 PolarHBondContact O-N 3.12Å; L204-N206 VanDerWaalsContact C-N 3.33Å; L204-Q207 PolarHBondContact O-N 3.45Å; L204-K212 HydrophobicContact CB-CD 4.44Å; L204-K212 HydrophobicContact CD2-CD 4.2Å; L204-K212 HydrophobicContact CD2-CG 4.15Å; L204-K212 WeakPolarHBondContact O-CD 3.04Å; L204-K212 WeakPolarHBondContact O-CE 3.33Å; L204-K212 PolarHBondContact O-NZ 2.89Å; L204-I216 HydrophobicContact CD2-CD1 4.45Å; L204-I216 HydrophobicContact CD2-CG1 4.02Å; L204-F219 HydrophobicContact CD1-CB 4.07Å; L204-F219 HydrophobicContact CD1-CD1 3.82Å; L204-F219 HydrophobicContact CD1-CE1 4.43Å; L204-F219 HydrophobicContact CD1-CG 3.92Å; L204-P319 HydrophobicContact CB-CB 4.31Å; L204-P319 HydrophobicContact CD1-CB 4.36Å; L204-V322 HydrophobicContact CB-CG2 4.47Å; L204-V322 HydrophobicContact CD1-CG2 4.05Å; L204-V322 HydrophobicContact CD2-CG2 4Å; L204-V322 HydrophobicContact CG-CG2 4.4Å
205	K	95.5	Very high	97.7	Very high	61 Å²	61	37.8 Å²	37.8	27%	0.265	18%	0.179	S	C	.	.	H	α-helix	trans	-67.9	-32.7	170.4	-73.4	-165	-174.1	-176	0	112.6	L201 Y202 F203 Q207 F313 D314 E317	L201-K205 PolarHBondContact O-N 3.02Å; Y202-K205 PolarHBondContact O-N 2.95Å; F203-K205 VanDerWaalsContact C-N 3.32Å; F203-K205 PolarHBondContact O-N 3.42Å; K205-Q207 VanDerWaalsContact C-N 3.3Å; K205-Q207 PolarHBondContact O-N 2.82Å; K205-F313 HydrophobicContact CD-CD2 4.14Å; K205-F313 HydrophobicContact CD-CE2 3.93Å; K205-D314 PolarHBondContact NZ-O 3Å; K205-E317 IonicContact NZ-OE2 2.9Å; K205-E317 PolarHBondContact NZ-OE2 3.09Å
206	N	95	Very high	97.7	Very high	86 Å²	86	37.8 Å²	37.8	46%	0.46	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	2.4	177.7	-76.1	-74.5	0	0	0	114.5	V169 Y202 F203 L204	V169-N206 HydrophobicContact CG1-CB 4.18Å; Y202-N206 PolarHBondContact O-N 2.68Å; Y202-N206 PolarHBondContact O-ND2 3.47Å; F203-N206 CarbonylContact O-C 3.6Å; F203-N206 WeakPolarHBondContact O-CA 3.4Å; F203-N206 PolarHBondContact O-N 3.18Å; L204-N206 VanDerWaalsContact C-N 3.33Å
207	Q	97	Very high	97.7	Very high	20 Å²	20	38.8 Å²	38.8	9%	0.093	18%	0.183	C	C	.	.	S	Bend	trans	-106.9	147.2	174.6	-58.4	-45.2	-50.9	0	0	112.8	F203 L204 K205 W211 K212	F203-Q207 HydrophobicContact CD1-CG 4.44Å; F203-Q207 HydrophobicContact CD2-CG 4.44Å; F203-Q207 HydrophobicContact CE1-CG 3.91Å; F203-Q207 HydrophobicContact CE2-CG 3.91Å; F203-Q207 VanDerWaalsContact CE2-NE2 3.27Å; F203-Q207 HydrophobicContact CZ-CG 3.61Å; F203-Q207 WeakPolarHBondContact O-CG 3.4Å; F203-Q207 PolarHBondContact O-N 3.22Å; L204-Q207 PolarHBondContact O-N 3.45Å; K205-Q207 VanDerWaalsContact C-N 3.3Å; K205-Q207 PolarHBondContact O-N 2.82Å; Q207-W211 HydrophobicContact CB-CD2 4.12Å; Q207-W211 HydrophobicContact CB-CE3 3.59Å; Q207-W211 HydrophobicContact CB-CZ3 4.21Å; Q207-W211 HydrophobicContact CG-CD2 4.07Å; Q207-W211 HydrophobicContact CG-CE3 3.58Å; Q207-W211 HydrophobicContact CG-CH2 4.4Å; Q207-W211 HydrophobicContact CG-CZ3 3.78Å; Q207-K212 HydrophobicContact CB-CG 4.14Å; Q207-K212 WeakPolarHBondContact O-CE 3.37Å; Q207-K212 PolarHBondContact O-NZ 3.05Å
208	T	97.4	Very high	97.6	Very high	96 Å²	96	38.8 Å²	38.8	59%	0.589	18%	0.183	S	C	*	.			trans	-67.6	156.7	177.9	71.1	0	0	0	0	111.9	H210 W211 K212	T208-H210 VanDerWaalsContact C-N 3.33Å; T208-H210 PolarHBondContact O-N 2.88Å; T208-W211 PolarHBondContact O-N 3.2Å; T208-W211 WeakPolarHBondContact OG1-CB 3.23Å; T208-W211 PolarHBondContact OG1-N 2.85Å; T208-K212 PolarHBondContact O-N 3.3Å
209	K	97.7	Very high	97.6	Very high	106 Å²	106	38.9 Å²	38.9	46%	0.461	18%	0.183	S	C	.	.	H	α-helix	trans	-50.1	-51.1	173.5	171.3	172.9	-177	178.3	0	112.3	W211 K212 Q213 Y321	K209-W211 PolarHBondContact O-N 2.79Å; K209-K212 PolarHBondContact O-N 3.2Å; K209-Q213 WeakPolarHBondContact O-CG 3.08Å; K209-Q213 PolarHBondContact O-N 2.75Å; K209-Y321 HydrophobicContact CB-CD1 4.47Å; K209-Y321 HydrophobicContact CB-CD2 3.95Å; K209-Y321 HydrophobicContact CB-CG 3.92Å; K209-Y321 HydrophobicContact CD-CD1 3.56Å; K209-Y321 HydrophobicContact CD-CD2 4.42Å; K209-Y321 HydrophobicContact CD-CE1 3.85Å; K209-Y321 HydrophobicContact CD-CG 3.9Å; K209-Y321 HydrophobicContact CG-CD1 3.86Å; K209-Y321 HydrophobicContact CG-CD2 4.22Å; K209-Y321 HydrophobicContact CG-CG 3.68Å
210	H	98	Very high	97.6	Very high	138 Å²	138	38.8 Å²	38.8	64%	0.639	18%	0.183	S	C	*	.	H	α-helix	trans	-63.7	-39.7	-178.5	-178.3	67.9	0	0	0	112.4	T208 Q213 K214	T208-H210 VanDerWaalsContact C-N 3.33Å; T208-H210 PolarHBondContact O-N 2.88Å; H210-Q213 PolarHBondContact O-N 2.76Å; H210-K214 WeakPolarHBondContact O-CB 3.43Å; H210-K214 PolarHBondContact O-N 3.48Å
211	W	98.5	Very high	97.6	Very high	15 Å²	15	38.8 Å²	38.8	6%	0.057	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-47.7	176.2	-171.7	96.6	0	0	0	111.2	K173 V176 E177 F203 Q207 T208 K209 Q213 K214 Y215 I216	K173-W211 VanDerWaalsContact CE-NE1 3.32Å; K173-W211 HydrophobicContact CG-CZ2 3.84Å; V176-W211 HydrophobicContact CB-CH2 3.79Å; V176-W211 HydrophobicContact CB-CZ2 3.95Å; V176-W211 HydrophobicContact CG1-CH2 3.64Å; V176-W211 HydrophobicContact CG1-CZ2 3.98Å; V176-W211 HydrophobicContact CG2-CH2 4.03Å; E177-W211 HydrophobicContact CG-CZ2 4.24Å; E177-W211 PolarHBondContact OE1-NE1 3.01Å; F203-W211 AromaticContact CE1-CH2 3.58Å; F203-W211 HydrophobicContact CE1-CH2 3.58Å; F203-W211 AromaticContact CE1-CZ3 3.7Å; F203-W211 HydrophobicContact CE1-CZ3 3.7Å; F203-W211 AromaticContact CZ-CH2 3.4Å; F203-W211 HydrophobicContact CZ-CH2 3.4Å; F203-W211 VanDerWaalsContact CZ-CH2 3.4Å; F203-W211 HydrophobicContact CZ-CZ2 4.02Å; F203-W211 AromaticContact CZ-CZ3 3.83Å; F203-W211 HydrophobicContact CZ-CZ3 3.83Å; Q207-W211 HydrophobicContact CB-CD2 4.12Å; Q207-W211 HydrophobicContact CB-CE3 3.59Å; Q207-W211 HydrophobicContact CB-CZ3 4.21Å; Q207-W211 HydrophobicContact CG-CD2 4.07Å; Q207-W211 HydrophobicContact CG-CE3 3.58Å; Q207-W211 HydrophobicContact CG-CH2 4.4Å; Q207-W211 HydrophobicContact CG-CZ3 3.78Å; T208-W211 PolarHBondContact O-N 3.2Å; T208-W211 WeakPolarHBondContact OG1-CB 3.23Å; T208-W211 PolarHBondContact OG1-N 2.85Å; K209-W211 PolarHBondContact O-N 2.79Å; W211-Q213 PolarHBondContact O-N 3.42Å; W211-K214 PolarHBondContact O-N 3.36Å; W211-Y215 AromaticContact CD1-CD2 3.51Å; W211-Y215 AromaticContact CD1-CE2 3.66Å; W211-Y215 AromaticContact CD2-CD2 3.81Å; W211-Y215 HydrophobicContact CD2-CD2 3.81Å; W211-Y215 HydrophobicContact CD2-CG 4.42Å; W211-Y215 AromaticContact CE2-CD2 3.56Å; W211-Y215 AromaticContact CG-CD2 3.78Å; W211-Y215 HydrophobicContact CG-CD2 3.78Å; W211-Y215 HydrophobicContact CG-CE2 4.32Å; W211-Y215 HydrophobicContact CZ2-CD2 4.19Å; W211-Y215 HydrophobicContact CZ2-CG 4.17Å; W211-Y215 AromaticContact NE1-CD2 3.37Å; W211-Y215 AromaticContact NE1-CE2 3.63Å; W211-Y215 WeakPolarHBondContact O-CB 3.43Å; W211-Y215 WeakPolarHBondContact O-CD2 3.41Å; W211-Y215 PolarHBondContact O-N 2.99Å; W211-I216 HydrophobicContact CH2-CD1 3.99Å; W211-I216 HydrophobicContact CH2-CG1 4.47Å; W211-I216 HydrophobicContact CZ3-CD1 3.76Å; W211-I216 HydrophobicContact CZ3-CG1 3.78Å
212	K	98.3	Very high	97.6	Very high	9 Å²	9	38.8 Å²	38.8	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-47	177.4	-78.6	-179.5	-80.2	-160.6	0	112.3	L204 Q207 T208 K209 K214 I216 E320 V322	L204-K212 HydrophobicContact CB-CD 4.44Å; L204-K212 HydrophobicContact CD2-CD 4.2Å; L204-K212 HydrophobicContact CD2-CG 4.15Å; L204-K212 WeakPolarHBondContact O-CD 3.04Å; L204-K212 WeakPolarHBondContact O-CE 3.33Å; L204-K212 PolarHBondContact O-NZ 2.89Å; Q207-K212 HydrophobicContact CB-CG 4.14Å; Q207-K212 WeakPolarHBondContact O-CE 3.37Å; Q207-K212 PolarHBondContact O-NZ 3.05Å; T208-K212 PolarHBondContact O-N 3.3Å; K209-K212 PolarHBondContact O-N 3.2Å; K212-K214 VanDerWaalsContact C-N 3.27Å; K212-K214 PolarHBondContact O-N 2.8Å; K212-I216 WeakPolarHBondContact O-CB 3.35Å; K212-I216 PolarHBondContact O-N 3.17Å; K212-E320 VanDerWaalsContact CE-O 3.25Å; K212-E320 WeakPolarHBondContact CE-O 3.47Å; K212-E320 PolarHBondContact NZ-O 3.14Å; K212-V322 HydrophobicContact CD-CG2 3.91Å
213	Q	97.1	Very high	97.7	Very high	110 Å²	110	37.1 Å²	37.1	51%	0.514	18%	0.177	S	C	.	.	H	α-helix	trans	-65.8	-26.5	-179.9	-69.7	-178.7	-54.8	0	0	113.7	K209 H210 W211	K209-Q213 WeakPolarHBondContact O-CG 3.08Å; K209-Q213 PolarHBondContact O-N 2.75Å; H210-Q213 PolarHBondContact O-N 2.76Å; W211-Q213 PolarHBondContact O-N 3.42Å
214	K	98.3	Very high	97.7	Very high	85 Å²	85	37.2 Å²	37.2	37%	0.37	18%	0.178	S	C	.	.	H	α-helix	trans	-83.3	-47.1	175.7	-179.4	176.8	175.9	-167.7	0	112.6	Y180 H210 W211 K212	Y180-K214 HydrophobicContact CE2-CG 4.45Å; Y180-K214 VanDerWaalsContact CE2-O 3.31Å; Y180-K214 WeakPolarHBondContact CE2-O 3.41Å; H210-K214 WeakPolarHBondContact O-CB 3.43Å; H210-K214 PolarHBondContact O-N 3.48Å; W211-K214 PolarHBondContact O-N 3.36Å; K212-K214 VanDerWaalsContact C-N 3.27Å; K212-K214 PolarHBondContact O-N 2.8Å
215	Y	98.7	Very high	97.7	Very high	29 Å²	29	37.5 Å²	37.5	11%	0.114	18%	0.179	C	C	.	.	H	α-helix	trans	-99.8	-16.1	-164.7	-71.3	-72.8	0	0	0	115	E177 Y180 V188 W211	E177-Y215 HydrophobicContact CB-CE1 4.21Å; E177-Y215 HydrophobicContact CG-CD1 4.14Å; E177-Y215 HydrophobicContact CG-CE1 3.82Å; E177-Y215 HydrophobicContact CG-CE2 4.22Å; E177-Y215 HydrophobicContact CG-CG 4.49Å; Y180-Y215 HydrophobicContact CD1-CD1 4.2Å; Y180-Y215 AromaticContact CD1-CE1 3.9Å; Y180-Y215 HydrophobicContact CD1-CE1 3.9Å; Y180-Y215 AromaticContact CD2-CD1 3.65Å; Y180-Y215 HydrophobicContact CD2-CD1 3.65Å; Y180-Y215 HydrophobicContact CD2-CE1 4.14Å; Y180-Y215 HydrophobicContact CE1-CE1 4.35Å; Y180-Y215 HydrophobicContact CE2-CD1 4.27Å; Y180-Y215 AromaticContact CG-CD1 3.62Å; Y180-Y215 HydrophobicContact CG-CD1 3.62Å; Y180-Y215 AromaticContact CG-CE1 3.8Å; Y180-Y215 HydrophobicContact CG-CE1 3.8Å; V188-Y215 PolarHBondContact N-O 2.96Å; W211-Y215 AromaticContact CD1-CD2 3.51Å; W211-Y215 AromaticContact CD1-CE2 3.66Å; W211-Y215 AromaticContact CD2-CD2 3.81Å; W211-Y215 HydrophobicContact CD2-CD2 3.81Å; W211-Y215 HydrophobicContact CD2-CG 4.42Å; W211-Y215 AromaticContact CE2-CD2 3.56Å; W211-Y215 AromaticContact CG-CD2 3.78Å; W211-Y215 HydrophobicContact CG-CD2 3.78Å; W211-Y215 HydrophobicContact CG-CE2 4.32Å; W211-Y215 HydrophobicContact CZ2-CD2 4.19Å; W211-Y215 HydrophobicContact CZ2-CG 4.17Å; W211-Y215 AromaticContact NE1-CD2 3.37Å; W211-Y215 AromaticContact NE1-CE2 3.63Å; W211-Y215 WeakPolarHBondContact O-CB 3.43Å; W211-Y215 WeakPolarHBondContact O-CD2 3.41Å; W211-Y215 PolarHBondContact O-N 2.99Å
216	I	98.4	Very high	97.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.8	-174	-52.3	-56.7	0	0	0	110.9	V176 V188 L190 L204 W211 K212 V322 P323	V176-I216 HydrophobicContact CG1-CD1 3.86Å; V188-I216 WeakPolarHBondContact O-CA 3.41Å; L190-I216 HydrophobicContact CD1-CD1 3.69Å; L190-I216 HydrophobicContact CD2-CD1 4.25Å; L190-I216 HydrophobicContact CG-CD1 3.96Å; L204-I216 HydrophobicContact CD2-CD1 4.45Å; L204-I216 HydrophobicContact CD2-CG1 4.02Å; W211-I216 HydrophobicContact CH2-CD1 3.99Å; W211-I216 HydrophobicContact CH2-CG1 4.47Å; W211-I216 HydrophobicContact CZ3-CD1 3.76Å; W211-I216 HydrophobicContact CZ3-CG1 3.78Å; K212-I216 WeakPolarHBondContact O-CB 3.35Å; K212-I216 PolarHBondContact O-N 3.17Å; I216-V322 HydrophobicContact CG2-CG1 4.08Å; I216-P323 WeakPolarHBondContact O-CG 3.27Å
217	K	97.5	Very high	97.9	Very high	21 Å²	21	30.5 Å²	30.5	9%	0.091	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-54.2	172.1	172.7	55.4	160.8	69.4	0	109.3	Y44 P187 V188 V189 E324 N410	Y44-K217 HydrophobicContact CD1-CB 4.19Å; Y44-K217 HydrophobicContact CD1-CD 4.3Å; Y44-K217 HydrophobicContact CD1-CG 4Å; Y44-K217 HydrophobicContact CD2-CG 4.23Å; Y44-K217 HydrophobicContact CE1-CD 4.01Å; Y44-K217 HydrophobicContact CE1-CG 4.23Å; Y44-K217 HydrophobicContact CE2-CD 4.37Å; Y44-K217 HydrophobicContact CE2-CG 4.48Å; Y44-K217 HydrophobicContact CG-CB 4.43Å; Y44-K217 HydrophobicContact CG-CG 3.99Å; P187-K217 HydrophobicContact CB-CB 4.02Å; P187-K217 HydrophobicContact CG-CB 4.09Å; V188-K217 PolarHBondContact O-N 3.13Å; V189-K217 HydrophobicContact CG2-CB 4Å; V189-K217 HydrophobicContact CG2-CG 4.03Å; K217-E324 IonicContact NZ-OE1 3.71Å; K217-E324 PolarHBondContact NZ-OE1 2.83Å; K217-N410 VanDerWaalsContact CE-OXT 3.23Å; K217-N410 WeakPolarHBondContact CE-OXT 3.01Å; K217-N410 PolarHBondContact NZ-OXT 3.06Å
218	S	97.4	Very high	98	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.7	-179	59.2	0	0	0	0	112.2	V189 L190 L220 E324	V189-S218 WeakPolarHBondContact CG1-OG 3.15Å; V189-S218 WeakPolarHBondContact CG2-OG 3.11Å; L190-S218 PolarHBondContact N-O 2.86Å; S218-L220 WeakPolarHBondContact OG-CD1 3.45Å; S218-E324 CarbonylContact C-O 3.52Å; S218-E324 WeakPolarHBondContact CA-O 3.49Å
219	F	97.9	Very high	98	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.5	167	171.5	-145.4	0	0	0	109.4	L190 S197 T200 L201 L204 P319 V322 E324 V325 Y326	L190-F219 HydrophobicContact CB-CD2 4.41Å; L190-F219 CarbonylContact O-C 3.57Å; L190-F219 WeakPolarHBondContact O-CA 3.46Å; S197-F219 WeakPolarHBondContact O-CZ 3.38Å; T200-F219 HydrophobicContact CG2-CD2 3.46Å; T200-F219 VanDerWaalsContact CG2-CD2 3.46Å; T200-F219 HydrophobicContact CG2-CE1 4.5Å; T200-F219 HydrophobicContact CG2-CE2 3.38Å; T200-F219 HydrophobicContact CG2-CG 4.11Å; T200-F219 HydrophobicContact CG2-CZ 3.94Å; L201-F219 HydrophobicContact CB-CE1 4.37Å; L204-F219 HydrophobicContact CD1-CB 4.07Å; L204-F219 HydrophobicContact CD1-CD1 3.82Å; L204-F219 HydrophobicContact CD1-CE1 4.43Å; L204-F219 HydrophobicContact CD1-CG 3.92Å; F219-P319 HydrophobicContact CD1-CG 4.19Å; F219-V322 HydrophobicContact CB-CG1 4.18Å; F219-E324 PolarHBondContact N-O 3.04Å; F219-V325 HydrophobicContact CD1-CG1 4.37Å; F219-Y326 PolarHBondContact O-N 3.36Å
220	L	98.2	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	102.3	172.2	-77.9	61.6	0	0	0	107.4	V189 L190 L191 G192 S218 Y326 I328 F403 V404	V189-L220 HydrophobicContact CG1-CD1 3.66Å; V189-L220 HydrophobicContact CG1-CD2 4.46Å; L190-L220 PolarHBondContact O-N 3.36Å; L191-L220 HydrophobicContact CB-CB 4.37Å; L191-L220 HydrophobicContact CD1-CD2 4.46Å; L191-L220 HydrophobicContact CG-CB 4.12Å; L191-L220 HydrophobicContact CG-CD2 4.47Å; G192-L220 PolarHBondContact N-O 3.16Å; S218-L220 WeakPolarHBondContact OG-CD1 3.45Å; L220-Y326 HydrophobicContact CD1-CD2 3.82Å; L220-Y326 HydrophobicContact CD1-CG 4.44Å; L220-Y326 HydrophobicContact CG-CD2 4.37Å; L220-I328 HydrophobicContact CB-CD1 3.92Å; L220-I328 HydrophobicContact CD2-CD1 4.28Å; L220-I328 HydrophobicContact CG-CD1 3.94Å; L220-F403 HydrophobicContact CD2-CE1 4.34Å; L220-V404 HydrophobicContact CD2-CG1 4.49Å; L220-V404 HydrophobicContact CD2-CG2 4.04Å
221	S	98	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	95.9	178.5	176.9	0	0	0	0	109.1	A224 Y326 I328	S221-A224 VanDerWaalsContact OG-CB 3.23Å; S221-A224 WeakPolarHBondContact OG-CB 3.3Å; S221-Y326 WeakPolarHBondContact CB-O 3.06Å; S221-Y326 PolarHBondContact N-O 2.83Å; S221-I328 PolarHBondContact O-N 3.28Å
222	V	98.4	Very high	97.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.7	-175.4	-164.8	0	0	0	0	110.7	L191 G192 H193 S194 S197 A224 I328 I394 L395 F400	L191-V222 HydrophobicContact CD2-CG2 3.74Å; L191-V222 HydrophobicContact CG-CG2 4.2Å; G192-V222 WeakPolarHBondContact O-CB 3.49Å; G192-V222 WeakPolarHBondContact O-CG2 3.33Å; G192-V222 PolarHBondContact O-N 2.84Å; H193-V222 CarbonylContact C-O 3.53Å; H193-V222 WeakPolarHBondContact CA-O 3.47Å; S194-V222 PolarHBondContact N-O 3.37Å; S197-V222 PolarHBondContact OG-N 3.2Å; S197-V222 PolarHBondContact OG-O 2.92Å; V222-A224 PolarHBondContact O-N 2.9Å; V222-I328 CarbonylContact C-O 3.51Å; V222-I328 VanDerWaalsContact CA-O 3.28Å; V222-I328 WeakPolarHBondContact CA-O 3.31Å; V222-I328 HydrophobicContact CG1-CB 4.42Å; V222-I328 HydrophobicContact CG1-CG2 4.2Å; V222-I328 HydrophobicContact CG2-CB 4.31Å; V222-I328 HydrophobicContact CG2-CD1 4.05Å; V222-I394 HydrophobicContact CG1-CD1 4.18Å; V222-I394 HydrophobicContact CG1-CG2 4.12Å; V222-L395 HydrophobicContact CG1-CD2 4.29Å; V222-F400 HydrophobicContact CB-CE2 4.49Å; V222-F400 HydrophobicContact CG1-CE2 3.9Å; V222-F400 HydrophobicContact CG1-CZ 4.22Å; V222-F400 HydrophobicContact CG2-CE2 3.68Å; V222-F400 HydrophobicContact CG2-CZ 3.82Å
223	S	98.1	Very high	97.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	47.5	38	175.5	-50.5	0	0	0	0	113.7	S194 P225 I328 H391	S194-S223 WeakPolarHBondContact CA-O 3.24Å; S223-P225 WeakPolarHBondContact O-CD 3.48Å; S223-I328 PolarHBondContact N-O 2.82Å; S223-H391 PolarHBondContact O-CE1 2.8Å; S223-H391 VanDerWaalsContact O-CE1 3.3Å; S223-H391 PolarHBondContact OG-O 2.63Å
224	A	98.3	Very high	97.1	Very high	3 Å²	3	10.9 Å²	10.9	3%	0.025	5%	0.052	C	C	.	.			trans	-78	123.3	-167.3	0	0	0	0	0	112.3	S197 S221 V222 L226	S197-A224 VanDerWaalsContact CB-CB 3.44Å; S221-A224 VanDerWaalsContact OG-CB 3.23Å; S221-A224 WeakPolarHBondContact OG-CB 3.3Å; V222-A224 PolarHBondContact O-N 2.9Å; A224-L226 HydrophobicContact CB-CD2 4.03Å; A224-L226 HydrophobicContact CB-CG 3.88Å; A224-L226 PolarHBondContact O-N 3.04Å
225	P	98.1	Very high	96.7	Very high	5 Å²	5	7.6 Å²	7.6	3%	0.032	4%	0.039	C	C	.	.			trans	-77.4	62.7	173.5	32.8	-34.1	0	0	0	110.7	L198 S223 G227 G228 V264 V367	L198-P225 HydrophobicContact CD1-CG 4.14Å; L198-P225 HydrophobicContact CG-CG 4.46Å; S223-P225 WeakPolarHBondContact O-CD 3.48Å; P225-G227 VanDerWaalsContact C-N 3.25Å; P225-G227 PolarHBondContact O-N 2.97Å; P225-G228 PolarHBondContact O-N 2.75Å; P225-V264 HydrophobicContact CB-CG1 4.39Å; P225-V264 HydrophobicContact CG-CB 4.46Å; P225-V264 HydrophobicContact CG-CG1 3.82Å; P225-V367 HydrophobicContact CB-CG1 4.07Å; P225-V367 HydrophobicContact CB-CG2 3.9Å
226	L	97.9	Very high	96.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.4	-175.7	-63.5	170.3	0	0	0	112.5	L198 L201 A224 P315 L316 V374 C375 W378	L198-L226 HydrophobicContact CD2-CD2 3.98Å; L201-L226 HydrophobicContact CD2-CD2 4.04Å; A224-L226 HydrophobicContact CB-CD2 4.03Å; A224-L226 HydrophobicContact CB-CG 3.88Å; A224-L226 PolarHBondContact O-N 3.04Å; L226-P315 WeakPolarHBondContact O-CB 3.43Å; L226-P315 VanDerWaalsContact O-CG 3.22Å; L226-P315 WeakPolarHBondContact O-CG 3.44Å; L226-L316 WeakPolarHBondContact O-CD2 3.47Å; L226-V374 HydrophobicContact CB-CB 3.86Å; L226-V374 HydrophobicContact CB-CG1 4.1Å; L226-V374 HydrophobicContact CB-CG2 4.27Å; L226-V374 HydrophobicContact CD1-CB 4.05Å; L226-V374 HydrophobicContact CD1-CG1 4.37Å; L226-C375 HydrophobicContact CD1-CB 3.66Å; L226-W378 HydrophobicContact CD1-CH2 3.86Å; L226-W378 HydrophobicContact CD1-CZ2 3.98Å; L226-W378 HydrophobicContact CD2-CH2 3.75Å; L226-W378 HydrophobicContact CD2-CZ2 4.05Å; L226-W378 HydrophobicContact CG-CH2 4.48Å
227	G	97.7	Very high	95.8	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.01	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.4	169.2	0	0	0	0	0	114.7	P225 P266 N267 W271 S371	P225-G227 VanDerWaalsContact C-N 3.25Å; P225-G227 PolarHBondContact O-N 2.97Å; G227-P266 CarbonylContact O-C 3.53Å; G227-P266 WeakPolarHBondContact O-CA 3.33Å; G227-N267 WeakPolarHBondContact O-CB 3.43Å; G227-N267 PolarHBondContact O-N 3.44Å; G227-W271 VanDerWaalsContact O-CZ3 3.23Å; G227-W271 WeakPolarHBondContact O-CZ3 3.42Å; G227-S371 VanDerWaalsContact CA-OG 3.3Å; G227-S371 WeakPolarHBondContact CA-OG 3.4Å; G227-S371 PolarHBondContact N-OG 2.75Å
228	G	97.8	Very high	94.6	Very high	2 Å²	2	5.4 Å²	5.4	2%	0.021	3%	0.031	C	C	.	.			trans	88	-172	-165.7	0	0	0	0	0	113.9	P225 V264 S371	P225-G228 PolarHBondContact O-N 2.75Å; G228-V264 CarbonylContact C-O 3.5Å; G228-V264 WeakPolarHBondContact CA-O 3.23Å; G228-S371 PolarHBondContact N-OG 2.75Å; G228-S371 WeakPolarHBondContact O-CB 3.2Å; G228-S371 PolarHBondContact O-OG 2.87Å
229	T	97.6	Very high	93.4	Very high	9 Å²	9	6.2 Å²	6.2	6%	0.055	4%	0.035	C	C	.	.			trans	-140.9	139.8	179.1	165.5	0	0	0	0	111	Q231 A232 V264 P266 T366	T229-Q231 PolarHBondContact O-N 2.92Å; T229-Q231 WeakPolarHBondContact OG1-CB 3.4Å; T229-Q231 PolarHBondContact OG1-N 2.84Å; T229-A232 HydrophobicContact CG2-CB 4.04Å; T229-A232 WeakPolarHBondContact O-CB 3.25Å; T229-A232 PolarHBondContact O-N 3.4Å; T229-A232 VanDerWaalsContact O-N 3.12Å; T229-V264 HydrophobicContact CG2-CG2 4.47Å; T229-V264 PolarHBondContact N-O 2.6Å; T229-P266 WeakPolarHBondContact O-CD 3.41Å; T229-T366 WeakPolarHBondContact CB-O 3.45Å; T229-T366 PolarHBondContact OG1-O 3.15Å
230	V	97.2	Very high	91.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.2	-26.9	175.3	-174.1	0	0	0	0	111.2	A232 L233 P266 W271 L277 V336 I339 N368	V230-A232 PolarHBondContact O-N 3.03Å; V230-L233 HydrophobicContact CG1-CD1 4.23Å; V230-L233 WeakPolarHBondContact O-CB 3.44Å; V230-L233 PolarHBondContact O-N 2.69Å; V230-P266 HydrophobicContact CG2-CG 4.18Å; V230-W271 HydrophobicContact CG2-CZ2 4.02Å; V230-L277 HydrophobicContact CG1-CB 4.44Å; V230-L277 HydrophobicContact CG2-CD1 4.25Å; V230-L277 HydrophobicContact CG2-CD2 4.03Å; V230-V336 HydrophobicContact CB-CG1 4.32Å; V230-V336 WeakPolarHBondContact CB-O 3.17Å; V230-V336 HydrophobicContact CG1-CG1 4.05Å; V230-I339 HydrophobicContact CG1-CD1 4.16Å; V230-I339 HydrophobicContact CG1-CG1 4.25Å; V230-N368 PolarHBondContact N-OD1 3.3Å; V230-N368 VanDerWaalsContact N-OD1 3.1Å
231	Q	94.2	Very high	89.6	Confident	45 Å²	45	11 Å²	11	21%	0.21	6%	0.06	C	C	.	.	H	α-helix	trans	-59.3	-32.1	175.7	-172.2	173.6	-1.5	0	0	112.4	T229 L233 M234 S235 E239 V336	T229-Q231 PolarHBondContact O-N 2.92Å; T229-Q231 WeakPolarHBondContact OG1-CB 3.4Å; T229-Q231 PolarHBondContact OG1-N 2.84Å; Q231-L233 PolarHBondContact O-N 3.08Å; Q231-M234 HydrophobicContact CG-CE 4.34Å; Q231-M234 WeakPolarHBondContact O-CA 3.41Å; Q231-M234 VanDerWaalsContact O-CB 3.28Å; Q231-M234 WeakPolarHBondContact O-CB 3.23Å; Q231-M234 PolarHBondContact O-N 2.95Å; Q231-S235 PolarHBondContact O-N 2.93Å; Q231-S235 PolarHBondContact O-OG 2.83Å; Q231-E239 PolarHBondContact NE2-OE2 2.89Å; Q231-V336 HydrophobicContact CB-CB 4.27Å; Q231-V336 HydrophobicContact CB-CG2 4.19Å; Q231-V336 HydrophobicContact CG-CG2 4.34Å
232	A	95.2	Very high	87.4	Confident	4 Å²	4	14 Å²	14	3%	0.033	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-27.2	177.5	0	0	0	0	0	113	T229 V230 S235 L236 V261 V264 L265	T229-A232 HydrophobicContact CG2-CB 4.04Å; T229-A232 WeakPolarHBondContact O-CB 3.25Å; T229-A232 PolarHBondContact O-N 3.4Å; T229-A232 VanDerWaalsContact O-N 3.12Å; V230-A232 PolarHBondContact O-N 3.03Å; A232-S235 WeakPolarHBondContact O-CB 3.38Å; A232-S235 PolarHBondContact O-N 2.59Å; A232-L236 WeakPolarHBondContact O-CG 3.35Å; A232-L236 PolarHBondContact O-N 3.27Å; A232-V261 HydrophobicContact CB-CG1 4.5Å; A232-V264 HydrophobicContact CB-CG2 3.89Å; A232-L265 HydrophobicContact CB-CD2 3.92Å
233	L	94.7	Very high	85.3	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-64.3	-45	170.7	-68.4	163.2	0	0	0	110.2	V230 Q231 S235 L236 T237 L265 P266 L277 I278 Y290 Y293 I339	V230-L233 HydrophobicContact CG1-CD1 4.23Å; V230-L233 WeakPolarHBondContact O-CB 3.44Å; V230-L233 PolarHBondContact O-N 2.69Å; Q231-L233 PolarHBondContact O-N 3.08Å; L233-S235 VanDerWaalsContact C-N 3.29Å; L233-S235 PolarHBondContact O-N 2.96Å; L233-L236 PolarHBondContact O-N 2.8Å; L233-L236 VanDerWaalsContact O-N 3.1Å; L233-T237 PolarHBondContact O-OG1 2.96Å; L233-L265 HydrophobicContact CD2-CD2 3.71Å; L233-L265 HydrophobicContact CG-CD2 3.96Å; L233-P266 HydrophobicContact CD1-CG 4Å; L233-P266 HydrophobicContact CG-CG 4.48Å; L233-L277 HydrophobicContact CD1-CB 4.09Å; L233-L277 HydrophobicContact CD1-CD1 3.85Å; L233-I278 HydrophobicContact CB-CD1 4.11Å; L233-I278 HydrophobicContact CD1-CD1 4.26Å; L233-I278 HydrophobicContact CD1-CG1 4.38Å; L233-I278 HydrophobicContact CD2-CD1 4.27Å; L233-I278 HydrophobicContact CG-CD1 4.46Å; L233-Y290 HydrophobicContact CD2-CE1 3.75Å; L233-Y293 HydrophobicContact CD2-CD1 4.2Å; L233-Y293 HydrophobicContact CD2-CE1 3.55Å; L233-Y293 PolarHBondContact O-OH 3.15Å; L233-I339 HydrophobicContact CB-CD1 3.84Å
234	M	89.6	Confident	82.8	Confident	21 Å²	21	24.7 Å²	24.7	10%	0.103	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-37.4	176.1	-165.5	171.3	74	0	0	112	Q231 L236 T237 S238 E239 I339 P356 I358	Q231-M234 HydrophobicContact CG-CE 4.34Å; Q231-M234 WeakPolarHBondContact O-CA 3.41Å; Q231-M234 VanDerWaalsContact O-CB 3.28Å; Q231-M234 WeakPolarHBondContact O-CB 3.23Å; Q231-M234 PolarHBondContact O-N 2.95Å; M234-L236 PolarHBondContact O-N 2.8Å; M234-T237 PolarHBondContact O-N 3.24Å; M234-T237 PolarHBondContact O-OG1 2.64Å; M234-S238 PolarHBondContact O-N 2.68Å; M234-E239 WeakPolarHBondContact CE-OE2 3.43Å; M234-E239 PolarHBondContact O-N 3.23Å; M234-I339 HydrophobicContact CB-CD1 3.79Å; M234-P356 HydrophobicContact CG-CG 4.31Å; M234-P356 HydrophobicContact SD-CG 3.96Å; M234-I358 HydrophobicContact SD-CD1 3.71Å; M234-I358 HydrophobicContact SD-CG1 4.4Å
235	S	89.8	Confident	80.4	Confident	15 Å²	15	32.2 Å²	32.2	11%	0.105	18%	0.178	C	C	.	.	H	α-helix	trans	-59.1	-27.5	175.2	-51.6	0	0	0	0	113.9	Q231 A232 L233	Q231-S235 PolarHBondContact O-N 2.93Å; Q231-S235 PolarHBondContact O-OG 2.83Å; A232-S235 WeakPolarHBondContact O-CB 3.38Å; A232-S235 PolarHBondContact O-N 2.59Å; L233-S235 VanDerWaalsContact C-N 3.29Å; L233-S235 PolarHBondContact O-N 2.96Å
236	L	91.3	Very high	78.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-1.6	-179.1	-60.8	176	0	0	0	114	A232 L233 M234 R252 R256 V261 I262 L265 F294 Y299	A232-L236 WeakPolarHBondContact O-CG 3.35Å; A232-L236 PolarHBondContact O-N 3.27Å; L233-L236 PolarHBondContact O-N 2.8Å; L233-L236 VanDerWaalsContact O-N 3.1Å; M234-L236 PolarHBondContact O-N 2.8Å; L236-R252 WeakPolarHBondContact O-CG 3.49Å; L236-R256 HydrophobicContact CD2-CG 4.06Å; L236-R256 VanDerWaalsContact O-CZ 3.3Å; L236-R256 PolarHBondContact O-NE 3.48Å; L236-R256 PolarHBondContact O-NH2 2.85Å; L236-V261 HydrophobicContact CD2-CG1 3.82Å; L236-V261 HydrophobicContact CG-CG1 4.12Å; L236-I262 HydrophobicContact CD1-CD1 3.64Å; L236-I262 HydrophobicContact CD2-CD1 3.79Å; L236-I262 HydrophobicContact CG-CD1 4.38Å; L236-L265 HydrophobicContact CD1-CD1 3.94Å; L236-L265 HydrophobicContact CD1-CD2 3.78Å; L236-L265 HydrophobicContact CD1-CG 4.31Å; L236-F294 HydrophobicContact CD1-CE1 4Å; L236-F294 HydrophobicContact CD1-CZ 4.24Å; L236-Y299 HydrophobicContact CD1-CE1 4.35Å; L236-Y299 HydrophobicContact CD2-CE1 4.02Å
237	T	86.7	Confident	76.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-53.5	-177.3	45.9	0	0	0	0	113.4	L233 M234 R252 Y293 Y341 F351 P352	L233-T237 PolarHBondContact O-OG1 2.96Å; M234-T237 PolarHBondContact O-N 3.24Å; M234-T237 PolarHBondContact O-OG1 2.64Å; T237-R252 WeakPolarHBondContact O-CD 3.2Å; T237-Y293 HydrophobicContact CG2-CE2 3.9Å; T237-Y293 VanDerWaalsContact CG2-OH 3.23Å; T237-Y293 WeakPolarHBondContact CG2-OH 3.18Å; T237-Y341 WeakPolarHBondContact CB-OH 3.41Å; T237-Y341 PolarHBondContact OG1-OH 2.87Å; T237-F351 HydrophobicContact CG2-CE2 3.89Å; T237-F351 HydrophobicContact CG2-CZ 4.12Å; T237-P352 CarbonylContact C-O 3.51Å; T237-P352 HydrophobicContact CG2-CB 3.73Å
238	S	73.6	Confident	74.8	Confident	4 Å²	4	39 Å²	39	3%	0.028	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-149.1	12.4	-158.5	62	0	0	0	0	116.2	M234 P248 Y341 Q354 P356	M234-S238 PolarHBondContact O-N 2.68Å; S238-P248 WeakPolarHBondContact O-CB 3.13Å; S238-Y341 PolarHBondContact OG-OH 2.86Å; S238-Q354 WeakPolarHBondContact CB-O 3.44Å; S238-P356 VanDerWaalsContact OG-CD 3.27Å; S238-P356 WeakPolarHBondContact OG-CD 3.39Å
239	E	70.7	Confident	73.5	Confident	19 Å²	19	40.3 Å²	40.3	9%	0.089	22%	0.223	C	C	.	.			trans	-69.6	138.4	171.3	-178.6	59.1	-89.1	0	0	111.6	Q231 M234 L241 P248 Y255	Q231-E239 PolarHBondContact NE2-OE2 2.89Å; M234-E239 WeakPolarHBondContact CE-OE2 3.43Å; M234-E239 PolarHBondContact O-N 3.23Å; E239-L241 PolarHBondContact OE1-N 3.46Å; E239-P248 WeakPolarHBondContact O-CA 3.35Å; E239-P248 WeakPolarHBondContact O-CB 3.46Å; E239-Y255 HydrophobicContact CG-CE2 4.06Å
240	N	59.9	Low	72.2	Confident	29 Å²	29	41.1 Å²	41.1	16%	0.155	23%	0.228	C	C	.	.			trans	-126.3	15.7	175.8	73	-7.5	0	0	0	113.8	G242 V243 P248 Y251	N240-G242 PolarHBondContact O-N 2.98Å; N240-G242 VanDerWaalsContact O-N 3.14Å; N240-G242 PolarHBondContact OD1-N 3.29Å; N240-G242 VanDerWaalsContact OD1-N 3.15Å; N240-V243 PolarHBondContact ND2-O 3.15Å; N240-V243 WeakPolarHBondContact O-CB 3.33Å; N240-V243 PolarHBondContact O-N 3.1Å; N240-P248 HydrophobicContact CB-CB 4.33Å; N240-P248 HydrophobicContact CB-CG 4.14Å; N240-Y251 HydrophobicContact CB-CD2 4.38Å; N240-Y251 WeakPolarHBondContact O-CE2 3.3Å
241	L	57.9	Low	71.3	Confident	72 Å²	72	41.8 Å²	41.8	38%	0.377	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	24.6	-177.4	-78.1	178.4	0	0	0	113.4	E239 V243 Y251 Y255	E239-L241 PolarHBondContact OE1-N 3.46Å; L241-V243 HydrophobicContact CB-CG2 4.37Å; L241-V243 PolarHBondContact O-N 3.03Å; L241-Y251 HydrophobicContact CD1-CD1 3.71Å; L241-Y251 HydrophobicContact CD1-CE1 3.93Å; L241-Y251 HydrophobicContact CD1-CG 4.38Å; L241-Y251 HydrophobicContact CG-CD1 4.33Å; L241-Y255 WeakPolarHBondContact CD2-OH 3.37Å
242	G	51.3	Low	70.9	Confident	63 Å²	63	40.7 Å²	40.7	65%	0.649	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	6.1	-173.4	0	0	0	0	0	114.5	N240 F244	N240-G242 PolarHBondContact O-N 2.98Å; N240-G242 VanDerWaalsContact O-N 3.14Å; N240-G242 PolarHBondContact OD1-N 3.29Å; N240-G242 VanDerWaalsContact OD1-N 3.15Å; G242-F244 VanDerWaalsContact C-N 3.33Å; G242-F244 PolarHBondContact O-N 2.83Å
243	V	53.2	Low	70.5	Confident	26 Å²	26	43.1 Å²	43.1	16%	0.158	24%	0.237	C	C	.	.			trans	-77.2	85.6	178.9	-173.5	0	0	0	0	109.2	I80 N240 L241 L245 R246 Y251	I80-V243 HydrophobicContact CG2-CG2 3.99Å; N240-V243 PolarHBondContact ND2-O 3.15Å; N240-V243 WeakPolarHBondContact O-CB 3.33Å; N240-V243 PolarHBondContact O-N 3.1Å; L241-V243 HydrophobicContact CB-CG2 4.37Å; L241-V243 PolarHBondContact O-N 3.03Å; V243-L245 PolarHBondContact O-N 2.9Å; V243-R246 HydrophobicContact CB-CB 4.31Å; V243-R246 HydrophobicContact CG1-CB 3.89Å; V243-R246 HydrophobicContact CG1-CG 3.66Å; V243-R246 PolarHBondContact O-N 3.12Å; V243-Y251 HydrophobicContact CB-CE2 4.47Å
244	F	45.2	Very low	70.2	Confident	198 Å²	198	43.7 Å²	43.7	87%	0.868	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-18.4	-171.8	-163.4	-94.3	0	0	0	115.6	G242	G242-F244 VanDerWaalsContact C-N 3.33Å; G242-F244 PolarHBondContact O-N 2.83Å
245	L	49.7	Very low	70.3	Confident	161 Å²	161	44.2 Å²	44.2	84%	0.843	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	5.3	-178.9	-61.5	176.3	0	0	0	114.3	V243	V243-L245 PolarHBondContact O-N 2.9Å
246	R	57.8	Low	70.4	Confident	74 Å²	74	44.7 Å²	44.7	28%	0.279	24%	0.241	S	C	.	.	S	Bend	trans	-118.2	141.7	-179.3	-72.8	-62.8	-168.9	162.7	0.1	112.3	L81 E84 V243 Y251	L81-R246 PolarHBondContact O-NE 3.09Å; L81-R246 VanDerWaalsContact O-NE 3.15Å; L81-R246 PolarHBondContact O-NH2 3.44Å; E84-R246 IonicContact OE1-CZ 3.05Å; E84-R246 IonicContact OE1-NH1 3.84Å; E84-R246 PolarHBondContact OE1-NH1 3.25Å; E84-R246 IonicContact OE2-NH1 3.3Å; V243-R246 HydrophobicContact CB-CB 4.31Å; V243-R246 HydrophobicContact CG1-CB 3.89Å; V243-R246 HydrophobicContact CG1-CG 3.66Å; V243-R246 PolarHBondContact O-N 3.12Å; R246-Y251 HydrophobicContact CB-CE2 4.06Å
247	S	57.5	Low	70.5	Confident	63 Å²	63	45.6 Å²	45.6	44%	0.441	25%	0.247	S	C	.	.			trans	-59.4	132.9	170.6	176.6	0	0	0	0	109.8	S249	S247-S249 PolarHBondContact O-N 3.21Å; S247-S249 VanDerWaalsContact O-N 3.08Å; S247-S249 WeakPolarHBondContact OG-CB 3.49Å; S247-S249 PolarHBondContact OG-N 3.47Å; S247-S249 PolarHBondContact OG-OG 2.56Å
248	P	60.7	Low	70.9	Confident	11 Å²	11	45.8 Å²	45.8	7%	0.071	25%	0.248	C	C	.	.	H	α-helix	trans	-53.5	-26.4	171.6	-25.9	32.9	0	0	0	114.3	S238 E239 N240 V250 Y251 R252	S238-P248 WeakPolarHBondContact O-CB 3.13Å; E239-P248 WeakPolarHBondContact O-CA 3.35Å; E239-P248 WeakPolarHBondContact O-CB 3.46Å; N240-P248 HydrophobicContact CB-CB 4.33Å; N240-P248 HydrophobicContact CB-CG 4.14Å; P248-V250 VanDerWaalsContact C-N 3.3Å; P248-V250 PolarHBondContact O-N 3Å; P248-Y251 PolarHBondContact O-N 3.28Å; P248-R252 VanDerWaalsContact O-CB 3.28Å; P248-R252 WeakPolarHBondContact O-CB 3.27Å; P248-R252 PolarHBondContact O-N 2.9Å
249	S	69.4	Low	72	Confident	31 Å²	31	45.9 Å²	45.9	22%	0.217	25%	0.248	C	C	.	.	H	α-helix	trans	-54.2	-39.3	-171.7	58.8	0	0	0	0	114.2	S247 R252 D253	S247-S249 PolarHBondContact O-N 3.21Å; S247-S249 VanDerWaalsContact O-N 3.08Å; S247-S249 WeakPolarHBondContact OG-CB 3.49Å; S247-S249 PolarHBondContact OG-N 3.47Å; S247-S249 PolarHBondContact OG-OG 2.56Å; S249-R252 WeakPolarHBondContact O-CB 3.26Å; S249-D253 WeakPolarHBondContact O-CB 3.49Å; S249-D253 PolarHBondContact O-N 3.13Å
250	V	70.5	Confident	73.2	Confident	26 Å²	26	45 Å²	45	16%	0.158	24%	0.244	C	C	.	.	H	α-helix	trans	-73	-42.7	-173.9	-163.5	0	0	0	0	111.7	P83 E84 P248 D253 V254	P83-V250 HydrophobicContact CB-CB 4.21Å; P83-V250 HydrophobicContact CB-CG1 3.7Å; P83-V250 HydrophobicContact CG-CB 3.92Å; P83-V250 HydrophobicContact CG-CG1 3.81Å; P83-V250 HydrophobicContact CG-CG2 4.43Å; E84-V250 HydrophobicContact CG-CG1 4.42Å; E84-V250 HydrophobicContact CG-CG2 4.46Å; P248-V250 VanDerWaalsContact C-N 3.3Å; P248-V250 PolarHBondContact O-N 3Å; V250-D253 PolarHBondContact O-N 3.23Å; V250-V254 PolarHBondContact O-N 3.02Å
251	Y	78.9	Confident	75	Confident	13 Å²	13	43.8 Å²	43.8	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-68.9	-41.7	175.8	-53.7	-74	0	0	0	111.2	I80 P83 N240 L241 V243 R246 P248 D253 V254 Y255	I80-Y251 PolarHBondContact O-OH 2.73Å; P83-Y251 HydrophobicContact CB-CD1 4.27Å; P83-Y251 HydrophobicContact CB-CE1 3.81Å; P83-Y251 HydrophobicContact CG-CE1 4.05Å; N240-Y251 HydrophobicContact CB-CD2 4.38Å; N240-Y251 WeakPolarHBondContact O-CE2 3.3Å; L241-Y251 HydrophobicContact CD1-CD1 3.71Å; L241-Y251 HydrophobicContact CD1-CE1 3.93Å; L241-Y251 HydrophobicContact CD1-CG 4.38Å; L241-Y251 HydrophobicContact CG-CD1 4.33Å; V243-Y251 HydrophobicContact CB-CE2 4.47Å; R246-Y251 HydrophobicContact CB-CE2 4.06Å; P248-Y251 PolarHBondContact O-N 3.28Å; Y251-D253 VanDerWaalsContact C-N 3.29Å; Y251-D253 PolarHBondContact O-N 2.93Å; Y251-V254 WeakPolarHBondContact O-CB 3.26Å; Y251-V254 PolarHBondContact O-N 2.99Å; Y251-Y255 WeakPolarHBondContact O-CD2 3.39Å; Y251-Y255 PolarHBondContact O-N 3.23Å
252	R	86.4	Confident	76.8	Confident	23 Å²	23	40.4 Å²	40.4	9%	0.087	22%	0.22	C	C	.	.	H	α-helix	trans	-51.8	-48	172.6	179.5	-160.7	73.1	-160.1	-5.4	111.8	L236 T237 P248 S249 V254 Y255 R256 N353	L236-R252 WeakPolarHBondContact O-CG 3.49Å; T237-R252 WeakPolarHBondContact O-CD 3.2Å; P248-R252 VanDerWaalsContact O-CB 3.28Å; P248-R252 WeakPolarHBondContact O-CB 3.27Å; P248-R252 PolarHBondContact O-N 2.9Å; S249-R252 WeakPolarHBondContact O-CB 3.26Å; R252-V254 VanDerWaalsContact C-N 3.32Å; R252-V254 PolarHBondContact O-N 3.43Å; R252-Y255 PolarHBondContact O-N 3.23Å; R252-R256 HydrophobicContact CG-CG 4.34Å; R252-R256 WeakPolarHBondContact O-CB 3.41Å; R252-R256 VanDerWaalsContact O-CG 3.24Å; R252-R256 WeakPolarHBondContact O-CG 3.41Å; R252-R256 PolarHBondContact O-N 2.9Å; R252-N353 PolarHBondContact NH1-OD1 3.11Å
253	D	86.6	Confident	79	Confident	54 Å²	54	37.6 Å²	37.6	29%	0.289	19%	0.19	S	C	.	.	H	α-helix	trans	-68.8	-32.8	-175.8	-64.8	-16.1	0	0	0	111.2	F87 S249 V250 Y251	F87-D253 HydrophobicContact CD2-CB 4.33Å; F87-D253 HydrophobicContact CE2-CB 3.79Å; F87-D253 HydrophobicContact CZ-CB 4.43Å; S249-D253 WeakPolarHBondContact O-CB 3.49Å; S249-D253 PolarHBondContact O-N 3.13Å; V250-D253 PolarHBondContact O-N 3.23Å; Y251-D253 VanDerWaalsContact C-N 3.29Å; Y251-D253 PolarHBondContact O-N 2.93Å
254	V	88.1	Confident	81.1	Confident	13 Å²	13	36.9 Å²	36.9	8%	0.079	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-52.7	166.3	178.9	0	0	0	0	111	F87 F90 V250 Y251 R252 R256 T257 M258	F87-V254 HydrophobicContact CB-CG2 4.24Å; F87-V254 HydrophobicContact CD2-CG2 3.7Å; F87-V254 HydrophobicContact CG-CG2 4.46Å; F90-V254 HydrophobicContact CD1-CG1 3.94Å; V250-V254 PolarHBondContact O-N 3.02Å; Y251-V254 WeakPolarHBondContact O-CB 3.26Å; Y251-V254 PolarHBondContact O-N 2.99Å; R252-V254 VanDerWaalsContact C-N 3.32Å; R252-V254 PolarHBondContact O-N 3.43Å; V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 2.65Å; V254-T257 PolarHBondContact O-N 3.39Å; V254-T257 PolarHBondContact O-OG1 2.95Å; V254-M258 HydrophobicContact CG1-CE 3.48Å; V254-M258 VanDerWaalsContact CG1-CE 3.48Å; V254-M258 PolarHBondContact O-N 3.1Å
255	Y	90.1	Very high	83.6	Confident	32 Å²	32	27.6 Å²	27.6	13%	0.125	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-32.2	-176.8	-72	-46.8	0	0	0	113.2	E239 L241 Y251 R252 T257 M258 V261	E239-Y255 HydrophobicContact CG-CE2 4.06Å; L241-Y255 WeakPolarHBondContact CD2-OH 3.37Å; Y251-Y255 WeakPolarHBondContact O-CD2 3.39Å; Y251-Y255 PolarHBondContact O-N 3.23Å; R252-Y255 PolarHBondContact O-N 3.23Å; Y255-T257 PolarHBondContact O-N 3.3Å; Y255-T257 VanDerWaalsContact O-N 3.17Å; Y255-M258 HydrophobicContact CD1-SD 3.81Å; Y255-M258 HydrophobicContact CE1-SD 4.22Å; Y255-M258 PolarHBondContact O-N 3.47Å; Y255-V261 HydrophobicContact CD1-CG2 3.69Å; Y255-V261 HydrophobicContact CE1-CG2 4.44Å; Y255-V261 HydrophobicContact CG-CG2 4.31Å
256	R	92.9	Very high	85.9	Confident	25 Å²	25	19.9 Å²	19.9	9%	0.094	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-6.6	171	-74.1	175.3	175.1	-154	-6.9	114.2	L236 R252 V254 S297 N298 Y299	L236-R256 HydrophobicContact CD2-CG 4.06Å; L236-R256 VanDerWaalsContact O-CZ 3.3Å; L236-R256 PolarHBondContact O-NE 3.48Å; L236-R256 PolarHBondContact O-NH2 2.85Å; R252-R256 HydrophobicContact CG-CG 4.34Å; R252-R256 WeakPolarHBondContact O-CB 3.41Å; R252-R256 VanDerWaalsContact O-CG 3.24Å; R252-R256 WeakPolarHBondContact O-CG 3.41Å; R252-R256 PolarHBondContact O-N 2.9Å; V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 2.65Å; R256-S297 PolarHBondContact NH1-O 2.62Å; R256-S297 VanDerWaalsContact NH1-O 3.09Å; R256-S297 PolarHBondContact NH2-O 3.03Å; R256-N298 PolarHBondContact NH1-O 2.93Å; R256-Y299 HydrophobicContact CB-CD1 4.44Å; R256-Y299 HydrophobicContact CB-CD2 4.16Å; R256-Y299 HydrophobicContact CB-CE1 4.11Å; R256-Y299 HydrophobicContact CB-CE2 3.82Å; R256-Y299 HydrophobicContact CB-CG 4.5Å; R256-Y299 HydrophobicContact CG-CD1 3.76Å; R256-Y299 HydrophobicContact CG-CD2 4.14Å; R256-Y299 HydrophobicContact CG-CE1 3.78Å; R256-Y299 HydrophobicContact CG-CE2 4.17Å; R256-Y299 HydrophobicContact CG-CG 3.98Å; R256-Y299 WeakPolarHBondContact O-CE2 3.44Å; R256-Y299 VanDerWaalsContact O-CZ 3.24Å; R256-Y299 PolarHBondContact O-OH 3.1Å
257	T	93.7	Very high	87.8	Confident	20 Å²	20	16.6 Å²	16.6	12%	0.123	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-14.3	168.6	70.4	0	0	0	0	113.1	R91 L92 H94 V254 Y255 T259	R91-T257 WeakPolarHBondContact CA-OG1 3.37Å; R91-T257 HydrophobicContact CB-CG2 4.13Å; L92-T257 WeakPolarHBondContact CB-O 3.3Å; L92-T257 WeakPolarHBondContact CD1-O 3.47Å; L92-T257 PolarHBondContact N-OG1 3.16Å; L92-T257 VanDerWaalsContact O-CB 3.31Å; L92-T257 WeakPolarHBondContact O-CB 3Å; L92-T257 WeakPolarHBondContact O-CG2 3.19Å; H94-T257 PolarHBondContact CE1-O 3.2Å; H94-T257 PolarHBondContact NE2-O 3.3Å; H94-T257 VanDerWaalsContact NE2-O 3.1Å; V254-T257 PolarHBondContact O-N 3.39Å; V254-T257 PolarHBondContact O-OG1 2.95Å; Y255-T257 PolarHBondContact O-N 3.3Å; Y255-T257 VanDerWaalsContact O-N 3.17Å; T257-T259 PolarHBondContact O-N 3.12Å
258	M	94.6	Very high	89.6	Confident	5 Å²	5	15.4 Å²	15.4	3%	0.025	8%	0.084	C	C	.	.			trans	-82.3	104.8	-178.3	-64.5	-171.5	178.1	0	0	110.7	F90 R159 V254 Y255 S260 V261 I262	F90-M258 HydrophobicContact CD1-CE 3.73Å; F90-M258 HydrophobicContact CE1-CE 3.32Å; F90-M258 HydrophobicContact CZ-CE 3.99Å; R159-M258 HydrophobicContact CB-CG 3.97Å; R159-M258 HydrophobicContact CB-SD 4.46Å; R159-M258 HydrophobicContact CG-CE 3.85Å; R159-M258 HydrophobicContact CG-CG 4.27Å; R159-M258 HydrophobicContact CG-SD 4.31Å; R159-M258 CarbonylContact O-C 3.56Å; R159-M258 WeakPolarHBondContact O-CA 3.29Å; R159-M258 WeakPolarHBondContact O-CB 3.36Å; V254-M258 HydrophobicContact CG1-CE 3.48Å; V254-M258 VanDerWaalsContact CG1-CE 3.48Å; V254-M258 PolarHBondContact O-N 3.1Å; Y255-M258 HydrophobicContact CD1-SD 3.81Å; Y255-M258 HydrophobicContact CE1-SD 4.22Å; Y255-M258 PolarHBondContact O-N 3.47Å; M258-S260 PolarHBondContact O-N 2.7Å; M258-S260 VanDerWaalsContact O-N 3.14Å; M258-V261 HydrophobicContact CB-CB 4.26Å; M258-V261 HydrophobicContact CB-CG2 3.73Å; M258-V261 PolarHBondContact O-N 3.17Å; M258-V261 HydrophobicContact SD-CG2 4.24Å; M258-I262 PolarHBondContact O-N 3.13Å
259	T	96.8	Very high	91.3	Very high	5 Å²	5	22 Å²	22	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-58.2	-25.6	172.2	39.8	0	0	0	0	112.1	R159 K160 S161 D164 T257 V261 I262 A263 L305	R159-T259 PolarHBondContact O-N 3.24Å; K160-T259 VanDerWaalsContact CA-OG1 3.31Å; K160-T259 WeakPolarHBondContact CA-OG1 3.49Å; S161-T259 PolarHBondContact N-OG1 3.23Å; S161-T259 VanDerWaalsContact N-OG1 3.1Å; S161-T259 WeakPolarHBondContact OG-CB 3.3Å; D164-T259 PolarHBondContact OD2-OG1 3.31Å; T257-T259 PolarHBondContact O-N 3.12Å; T259-V261 PolarHBondContact O-N 2.91Å; T259-I262 PolarHBondContact O-N 3.06Å; T259-A263 WeakPolarHBondContact O-CB 3.13Å; T259-A263 PolarHBondContact O-N 3.22Å; T259-L305 HydrophobicContact CG2-CD1 4.43Å; T259-L305 HydrophobicContact CG2-CD2 3.77Å
260	S	97	Very high	92.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.7	-32.7	172.6	58.9	0	0	0	0	114.6	F158 R159 K160 M258	F158-S260 WeakPolarHBondContact O-CB 3.36Å; F158-S260 PolarHBondContact O-OG 2.82Å; R159-S260 WeakPolarHBondContact CA-OG 3.48Å; R159-S260 PolarHBondContact O-N 2.98Å; R159-S260 PolarHBondContact O-OG 2.88Å; R159-S260 VanDerWaalsContact O-OG 3.04Å; K160-S260 WeakPolarHBondContact O-CB 3.28Å; M258-S260 PolarHBondContact O-N 2.7Å; M258-S260 VanDerWaalsContact O-N 3.14Å
261	V	96.1	Very high	93.9	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.024	10%	0.104	C	C	.	.	H	α-helix	trans	-71.5	-41.1	174.7	177	0	0	0	0	110.1	M52 A232 L236 Y255 M258 T259 A263 V264	M52-V261 HydrophobicContact CE-CB 4.42Å; M52-V261 HydrophobicContact CE-CG2 3.7Å; M52-V261 HydrophobicContact SD-CG2 3.91Å; A232-V261 HydrophobicContact CB-CG1 4.5Å; L236-V261 HydrophobicContact CD2-CG1 3.82Å; L236-V261 HydrophobicContact CG-CG1 4.12Å; Y255-V261 HydrophobicContact CD1-CG2 3.69Å; Y255-V261 HydrophobicContact CE1-CG2 4.44Å; Y255-V261 HydrophobicContact CG-CG2 4.31Å; M258-V261 HydrophobicContact CB-CB 4.26Å; M258-V261 HydrophobicContact CB-CG2 3.73Å; M258-V261 PolarHBondContact O-N 3.17Å; M258-V261 HydrophobicContact SD-CG2 4.24Å; T259-V261 PolarHBondContact O-N 2.91Å; V261-A263 VanDerWaalsContact C-N 3.32Å; V261-A263 PolarHBondContact O-N 3.19Å; V261-V264 WeakPolarHBondContact O-CG2 3.43Å; V261-V264 PolarHBondContact O-N 3.45Å
262	I	96.5	Very high	94.7	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-40.5	176.1	-51.9	-58.3	0	0	0	111	L236 M258 T259 V264 L265 Y299 L305 F306	L236-I262 HydrophobicContact CD1-CD1 3.64Å; L236-I262 HydrophobicContact CD2-CD1 3.79Å; L236-I262 HydrophobicContact CG-CD1 4.38Å; M258-I262 PolarHBondContact O-N 3.13Å; T259-I262 PolarHBondContact O-N 3.06Å; I262-V264 PolarHBondContact O-N 3.2Å; I262-L265 HydrophobicContact CD1-CD1 4.45Å; I262-L265 HydrophobicContact CG2-CD1 4.09Å; I262-L265 WeakPolarHBondContact O-CB 3.39Å; I262-L265 WeakPolarHBondContact O-CG 3.48Å; I262-L265 PolarHBondContact O-N 2.92Å; I262-Y299 HydrophobicContact CD1-CE1 3.8Å; I262-Y299 WeakPolarHBondContact CD1-OH 3.45Å; I262-L305 HydrophobicContact CB-CB 4.43Å; I262-L305 HydrophobicContact CG1-CB 4.29Å; I262-L305 HydrophobicContact CG1-CD1 4.32Å; I262-L305 HydrophobicContact CG2-CB 3.9Å; I262-F306 HydrophobicContact CG2-CB 3.6Å; I262-F306 HydrophobicContact CG2-CD2 4.14Å; I262-F306 HydrophobicContact CG2-CG 4.36Å; I262-F306 VanDerWaalsContact O-CD2 3.3Å; I262-F306 WeakPolarHBondContact O-CD2 3.39Å
263	A	96.6	Very high	95.2	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.033	14%	0.142	C	C	.	.	H	α-helix	trans	-63.6	-20.7	179	0	0	0	0	0	114.7	T259 V261 Y309	T259-A263 WeakPolarHBondContact O-CB 3.13Å; T259-A263 PolarHBondContact O-N 3.22Å; V261-A263 VanDerWaalsContact C-N 3.32Å; V261-A263 PolarHBondContact O-N 3.19Å; A263-Y309 HydrophobicContact CB-CD1 3.95Å; A263-Y309 HydrophobicContact CB-CD2 3.8Å; A263-Y309 HydrophobicContact CB-CE1 3.75Å; A263-Y309 HydrophobicContact CB-CE2 3.6Å; A263-Y309 HydrophobicContact CB-CG 3.96Å; A263-Y309 WeakPolarHBondContact O-CE1 3.14Å
264	V	97.4	Very high	95.6	Very high	11 Å²	11	31.6 Å²	31.6	7%	0.067	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	18.5	178.5	-60.3	0	0	0	0	113.2	M52 L195 L198 P225 G228 T229 A232 V261 I262	M52-V264 HydrophobicContact CE-CG2 4.45Å; L195-V264 HydrophobicContact CD1-CG1 4.22Å; L198-V264 HydrophobicContact CD1-CG1 3.92Å; P225-V264 HydrophobicContact CB-CG1 4.39Å; P225-V264 HydrophobicContact CG-CB 4.46Å; P225-V264 HydrophobicContact CG-CG1 3.82Å; G228-V264 CarbonylContact C-O 3.5Å; G228-V264 WeakPolarHBondContact CA-O 3.23Å; T229-V264 HydrophobicContact CG2-CG2 4.47Å; T229-V264 PolarHBondContact N-O 2.6Å; A232-V264 HydrophobicContact CB-CG2 3.89Å; V261-V264 WeakPolarHBondContact O-CG2 3.43Å; V261-V264 PolarHBondContact O-N 3.45Å; I262-V264 PolarHBondContact O-N 3.2Å
265	L	97.9	Very high	96	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.166	C	C	.	.	S	Bend	trans	-68.8	147.7	168.9	-68.3	170.7	0	0	0	111.5	A232 L233 L236 I262 N267 F294 F306	A232-L265 HydrophobicContact CB-CD2 3.92Å; L233-L265 HydrophobicContact CD2-CD2 3.71Å; L233-L265 HydrophobicContact CG-CD2 3.96Å; L236-L265 HydrophobicContact CD1-CD1 3.94Å; L236-L265 HydrophobicContact CD1-CD2 3.78Å; L236-L265 HydrophobicContact CD1-CG 4.31Å; I262-L265 HydrophobicContact CD1-CD1 4.45Å; I262-L265 HydrophobicContact CG2-CD1 4.09Å; I262-L265 WeakPolarHBondContact O-CB 3.39Å; I262-L265 WeakPolarHBondContact O-CG 3.48Å; I262-L265 PolarHBondContact O-N 2.92Å; L265-N267 PolarHBondContact O-N 2.83Å; L265-F294 HydrophobicContact CD1-CE2 4.38Å; L265-F294 HydrophobicContact CD1-CZ 3.7Å; L265-F306 HydrophobicContact CB-CD2 4.08Å; L265-F306 HydrophobicContact CB-CE2 3.68Å; L265-F306 HydrophobicContact CB-CZ 4.17Å; L265-F306 HydrophobicContact CD1-CD2 4.07Å; L265-F306 HydrophobicContact CD1-CE2 4.49Å; L265-F306 HydrophobicContact CD1-CG 4.36Å
266	P	98.2	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-51.6	120.9	178.5	-30.4	37.4	0	0	0	113.4	G227 T229 V230 L233 P268 W271 L277 V287 Y290	G227-P266 CarbonylContact O-C 3.53Å; G227-P266 WeakPolarHBondContact O-CA 3.33Å; T229-P266 WeakPolarHBondContact O-CD 3.41Å; V230-P266 HydrophobicContact CG2-CG 4.18Å; L233-P266 HydrophobicContact CD1-CG 4Å; L233-P266 HydrophobicContact CG-CG 4.48Å; P266-P268 WeakPolarHBondContact O-CD 3.1Å; P266-W271 HydrophobicContact CB-CD2 3.82Å; P266-W271 HydrophobicContact CB-CE3 3.64Å; P266-W271 HydrophobicContact CB-CG 4.49Å; P266-W271 HydrophobicContact CB-CH2 4.06Å; P266-W271 HydrophobicContact CB-CZ2 4.22Å; P266-W271 HydrophobicContact CB-CZ3 3.78Å; P266-W271 HydrophobicContact CG-CH2 4.45Å; P266-W271 HydrophobicContact CG-CZ2 4.47Å; P266-L277 HydrophobicContact CB-CD1 3.89Å; P266-L277 HydrophobicContact CG-CD1 3.92Å; P266-V287 HydrophobicContact CB-CG1 3.75Å; P266-Y290 WeakPolarHBondContact CB-OH 3.23Å; P266-Y290 VanDerWaalsContact CD-OH 3.3Å; P266-Y290 WeakPolarHBondContact CD-OH 3.33Å; P266-Y290 PolarHBondContact O-OH 3Å
267	N	97.4	Very high	96.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-73.4	125.4	-174.4	-171.8	-31.9	0	0	0	110.7	G227 L265 K269 L270 W271	G227-N267 WeakPolarHBondContact O-CB 3.43Å; G227-N267 PolarHBondContact O-N 3.44Å; L265-N267 PolarHBondContact O-N 2.83Å; N267-K269 PolarHBondContact O-N 2.91Å; N267-K269 WeakPolarHBondContact OD1-CB 3.26Å; N267-K269 PolarHBondContact OD1-N 3.49Å; N267-L270 PolarHBondContact O-N 2.8Å; N267-W271 PolarHBondContact O-N 2.64Å
268	P	97	Very high	96.8	Very high	38 Å²	38	32.9 Å²	32.9	25%	0.247	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-7.9	176.6	-23.8	34.1	0	0	0	116	P266 V287 Y290 F306	P266-P268 WeakPolarHBondContact O-CD 3.1Å; P268-V287 HydrophobicContact CB-CB 4.47Å; P268-V287 HydrophobicContact CB-CG2 4.09Å; P268-V287 HydrophobicContact CG-CB 4.26Å; P268-V287 HydrophobicContact CG-CG2 4.41Å; P268-Y290 HydrophobicContact CG-CE2 4.45Å; P268-F306 HydrophobicContact CG-CE1 4.22Å
269	K	96.1	Very high	96.9	Very high	150 Å²	150	34.3 Å²	34.3	65%	0.652	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.7	169.4	-64.6	-178.3	-178.5	-175.4	0	113.5	N267 D314 L316	N267-K269 PolarHBondContact O-N 2.91Å; N267-K269 WeakPolarHBondContact OD1-CB 3.26Å; N267-K269 PolarHBondContact OD1-N 3.49Å; K269-D314 WeakPolarHBondContact CD-OD2 3.16Å; K269-D314 IonicContact NZ-OD2 3.95Å; K269-D314 PolarHBondContact NZ-OD2 2.78Å; K269-L316 HydrophobicContact CB-CD1 3.5Å; K269-L316 HydrophobicContact CD-CD1 4.16Å; K269-L316 HydrophobicContact CG-CD1 4.45Å
270	L	96.8	Very high	96.9	Very high	41 Å²	41	34.5 Å²	34.5	22%	0.215	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-40	-176.6	-177.3	63.1	0	0	0	114	N267 V374	N267-L270 PolarHBondContact O-N 2.8Å; L270-V374 HydrophobicContact CD1-CG2 4.18Å; L270-V374 HydrophobicContact CD2-CG2 3.54Å; L270-V374 HydrophobicContact CG-CG2 4.48Å
271	W	97.1	Very high	96.6	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.011	19%	0.192	C	C	.	.	S	Bend	trans	-91.3	140.6	169.6	-79.6	-99.6	0	0	0	109.7	G227 V230 P266 N267 L277 V287 N368 R370	G227-W271 VanDerWaalsContact O-CZ3 3.23Å; G227-W271 WeakPolarHBondContact O-CZ3 3.42Å; V230-W271 HydrophobicContact CG2-CZ2 4.02Å; P266-W271 HydrophobicContact CB-CD2 3.82Å; P266-W271 HydrophobicContact CB-CE3 3.64Å; P266-W271 HydrophobicContact CB-CG 4.49Å; P266-W271 HydrophobicContact CB-CH2 4.06Å; P266-W271 HydrophobicContact CB-CZ2 4.22Å; P266-W271 HydrophobicContact CB-CZ3 3.78Å; P266-W271 HydrophobicContact CG-CH2 4.45Å; P266-W271 HydrophobicContact CG-CZ2 4.47Å; N267-W271 PolarHBondContact O-N 2.64Å; W271-L277 HydrophobicContact CG-CD1 4.42Å; W271-V287 HydrophobicContact CB-CB 4.41Å; W271-V287 HydrophobicContact CB-CG1 3.67Å; W271-V287 HydrophobicContact CB-CG2 3.81Å; W271-V287 HydrophobicContact CG-CG1 4.2Å; W271-V287 WeakPolarHBondContact O-CG2 3.11Å; W271-N368 HydrophobicContact CZ2-CB 4.21Å; W271-R370 HydrophobicContact CH2-CG 4.42Å; W271-R370 HydrophobicContact CZ2-CG 4.08Å
272	S	95.4	Very high	96.4	Very high	47 Å²	47	45.2 Å²	45.2	33%	0.329	23%	0.228	S	C	.	.			trans	-81.6	161.3	-179.3	66.8	0	0	0	0	113.1	D274 E275	S272-D274 PolarHBondContact O-N 3.49Å; S272-E275 WeakPolarHBondContact CB-OE1 3.44Å; S272-E275 PolarHBondContact N-OE1 2.83Å; S272-E275 PolarHBondContact O-N 3.05Å; S272-E275 VanDerWaalsContact OG-CG 3.3Å; S272-E275 WeakPolarHBondContact OG-CG 3.46Å; S272-E275 PolarHBondContact OG-OE1 2.95Å
273	K	96	Very high	96.4	Very high	137 Å²	137	48.3 Å²	48.3	60%	0.596	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.4	172.5	62.2	163.6	-165.9	171.4	0	115.2	T286 H288	K273-T286 WeakPolarHBondContact O-CG2 3.48Å; K273-H288 WeakPolarHBondContact CA-CD2 3.35Å; K273-H288 HydrophobicContact CB-CB 4.48Å; K273-H288 PolarHBondContact N-CD2 2.96Å
274	D	96.7	Very high	96.4	Very high	120 Å²	120	51.7 Å²	51.7	64%	0.642	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-5.8	-177.3	-53.3	-58.7	0	0	0	111.1	S272 I276	S272-D274 PolarHBondContact O-N 3.49Å; D274-I276 PolarHBondContact O-N 3.49Å
275	E	96.7	Very high	96.4	Very high	50 Å²	50	51.5 Å²	51.5	23%	0.234	26%	0.257	C	S	.	.			trans	-89.7	104.2	178.6	-78.4	171.5	-82.8	0	0	112.1	S272 L277 T286 R370	S272-E275 WeakPolarHBondContact CB-OE1 3.44Å; S272-E275 PolarHBondContact N-OE1 2.83Å; S272-E275 PolarHBondContact O-N 3.05Å; S272-E275 VanDerWaalsContact OG-CG 3.3Å; S272-E275 WeakPolarHBondContact OG-CG 3.46Å; S272-E275 PolarHBondContact OG-OE1 2.95Å; E275-L277 PolarHBondContact O-N 3.05Å; E275-T286 WeakPolarHBondContact O-CA 3.48Å; E275-T286 WeakPolarHBondContact O-CB 3.18Å; E275-T286 WeakPolarHBondContact O-CG2 3.44Å; E275-R370 IonicContact OE1-NH1 2.87Å; E275-R370 IonicContact OE2-CZ 2.64Å; E275-R370 VanDerWaalsContact OE2-CZ 3.23Å; E275-R370 IonicContact OE2-NH1 3.78Å; E275-R370 PolarHBondContact OE2-NH1 3.42Å; E275-R370 IonicContact OE2-NH2 2.8Å; E275-R370 PolarHBondContact OE2-NH2 2.98Å
276	I	98	Very high	96.5	Very high	59 Å²	59	52 Å²	52	30%	0.303	26%	0.26	S	S	.	.			trans	-73.8	115.8	174.8	-60.9	163.3	0	0	0	109.3	D274 I278 V279 N284 T286 Q338	D274-I276 PolarHBondContact O-N 3.49Å; I276-I278 WeakPolarHBondContact CG2-O 3.36Å; I276-V279 HydrophobicContact CG2-CG2 3.72Å; I276-N284 HydrophobicContact CD1-CB 4.03Å; I276-N284 HydrophobicContact CG1-CB 4.12Å; I276-N284 HydrophobicContact CG2-CB 3.8Å; I276-T286 HydrophobicContact CG1-CG2 4.41Å; I276-Q338 PolarHBondContact O-NE2 3.4Å
277	L	97.6	Very high	96.4	Very high	5 Å²	5	52 Å²	52	3%	0.026	26%	0.261	C	S	.	.			trans	-97.3	-27.1	175.4	-62.8	-173	0	0	0	112.7	V230 L233 P266 W271 E275 Y285 V287 Q338 I339	V230-L277 HydrophobicContact CG1-CB 4.44Å; V230-L277 HydrophobicContact CG2-CD1 4.25Å; V230-L277 HydrophobicContact CG2-CD2 4.03Å; L233-L277 HydrophobicContact CD1-CB 4.09Å; L233-L277 HydrophobicContact CD1-CD1 3.85Å; P266-L277 HydrophobicContact CB-CD1 3.89Å; P266-L277 HydrophobicContact CG-CD1 3.92Å; W271-L277 HydrophobicContact CG-CD1 4.42Å; E275-L277 PolarHBondContact O-N 3.05Å; L277-Y285 PolarHBondContact N-O 3.27Å; L277-V287 HydrophobicContact CD1-CG1 3.46Å; L277-V287 VanDerWaalsContact CD1-CG1 3.46Å; L277-V287 HydrophobicContact CG-CG1 4.43Å; L277-Q338 WeakPolarHBondContact O-CA 3.47Å; L277-Q338 WeakPolarHBondContact O-CG 3.33Å; L277-I339 PolarHBondContact O-N 2.87Å
278	I	97.4	Very high	96.4	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125	179.6	-52.2	177.4	0	0	0	109.7	L233 I276 T280 N284 Y285 Y293 I339 Y341	L233-I278 HydrophobicContact CB-CD1 4.11Å; L233-I278 HydrophobicContact CD1-CD1 4.26Å; L233-I278 HydrophobicContact CD1-CG1 4.38Å; L233-I278 HydrophobicContact CD2-CD1 4.27Å; L233-I278 HydrophobicContact CG-CD1 4.46Å; I276-I278 WeakPolarHBondContact CG2-O 3.36Å; I278-T280 HydrophobicContact CG2-CG2 4.08Å; I278-N284 CarbonylContact O-C 3.58Å; I278-N284 WeakPolarHBondContact O-CA 3.43Å; I278-Y285 HydrophobicContact CB-CD2 4.04Å; I278-Y285 HydrophobicContact CG2-CD2 4.07Å; I278-Y285 PolarHBondContact N-O 3.28Å; I278-Y285 VanDerWaalsContact N-O 3.16Å; I278-Y285 PolarHBondContact O-N 2.94Å; I278-Y293 HydrophobicContact CD1-CD2 3.62Å; I278-Y293 HydrophobicContact CD1-CE1 4.42Å; I278-Y293 HydrophobicContact CD1-CE2 3.18Å; I278-Y293 HydrophobicContact CD1-CG 4.39Å; I278-I339 CarbonylContact C-O 3.54Å; I278-I339 WeakPolarHBondContact CA-O 3.29Å; I278-I339 HydrophobicContact CG1-CB 4.45Å; I278-I339 HydrophobicContact CG1-CD1 4.4Å; I278-Y341 HydrophobicContact CG2-CD2 3.7Å; I278-Y341 HydrophobicContact CG2-CE2 3.62Å
279	V	97	Very high	96.4	Very high	35 Å²	35	56.7 Å²	56.7	21%	0.212	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.7	172.6	174.8	0	0	0	0	108.2	I276 Q338 I339 I340 Y341	I276-V279 HydrophobicContact CG2-CG2 3.72Å; V279-Q338 HydrophobicContact CG2-CG 4.46Å; V279-I339 PolarHBondContact N-O 3.11Å; V279-I340 HydrophobicContact CB-CB 4.4Å; V279-I340 HydrophobicContact CB-CG1 4.16Å; V279-I340 HydrophobicContact CB-CG2 4.16Å; V279-I340 HydrophobicContact CG1-CG2 4.11Å; V279-I340 HydrophobicContact CG2-CG1 4.37Å; V279-Y341 PolarHBondContact O-N 3.45Å
280	T	95.3	Very high	96.5	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	25%	0.25	C	S	.	.			trans	-130.5	166.2	170.1	75.2	0	0	0	0	109.8	I278 F282 K283 Y285 Y341 F351	I278-T280 HydrophobicContact CG2-CG2 4.08Å; T280-F282 PolarHBondContact O-N 3.48Å; T280-F282 VanDerWaalsContact O-N 3.1Å; T280-K283 WeakPolarHBondContact CB-O 3.41Å; T280-K283 PolarHBondContact N-O 2.87Å; T280-K283 PolarHBondContact OG1-N 3.48Å; T280-K283 VanDerWaalsContact OG1-N 3.11Å; T280-K283 PolarHBondContact OG1-O 3.41Å; T280-Y285 HydrophobicContact CG2-CD2 4.34Å; T280-Y285 HydrophobicContact CG2-CE2 3.66Å; T280-Y341 HydrophobicContact CG2-CD2 3.89Å; T280-Y341 HydrophobicContact CG2-CG 4.38Å; T280-F351 HydrophobicContact CG2-CB 4.38Å; T280-F351 HydrophobicContact CG2-CD1 4.29Å; T280-F351 HydrophobicContact CG2-CD2 3.82Å; T280-F351 HydrophobicContact CG2-CE2 4.15Å; T280-F351 HydrophobicContact CG2-CG 3.9Å
281	P	92.6	Very high	96.5	Very high	49 Å²	49	50.8 Å²	50.8	32%	0.318	26%	0.259	S	S	.	.	S	Bend	trans	-60	-22.4	-179.6	-24.2	34.8	0	0	0	114.8	K342 S343	P281-K342 VanDerWaalsContact CG-C 3.45Å; P281-K342 WeakPolarHBondContact CG-O 3.45Å; P281-S343 VanDerWaalsContact CG-CA 3.45Å
282	F	91.9	Very high	96.5	Very high	180 Å²	180	54.5 Å²	54.5	79%	0.789	28%	0.276	S	S	*	.	S	Bend	trans	-114.1	-27.6	-171.9	-52.7	-66.8	0	0	0	113.3	T280	T280-F282 PolarHBondContact O-N 3.48Å; T280-F282 VanDerWaalsContact O-N 3.1Å
283	K	95	Very high	96.5	Very high	66 Å²	66	52.3 Å²	52.3	29%	0.287	26%	0.261	S	S	.	.			trans	-153.6	144.6	-179.4	177.7	162.4	178.2	169.5	0	112.5	T280 Y285 D289 Q292	T280-K283 WeakPolarHBondContact CB-O 3.41Å; T280-K283 PolarHBondContact N-O 2.87Å; T280-K283 PolarHBondContact OG1-N 3.48Å; T280-K283 VanDerWaalsContact OG1-N 3.11Å; T280-K283 PolarHBondContact OG1-O 3.41Å; K283-Y285 HydrophobicContact CB-CE1 4.48Å; K283-Y285 HydrophobicContact CB-CE2 4.13Å; K283-Y285 HydrophobicContact CD-CD1 4.21Å; K283-Y285 HydrophobicContact CD-CE1 3.81Å; K283-Y285 HydrophobicContact CG-CD1 4.3Å; K283-Y285 HydrophobicContact CG-CD2 4.47Å; K283-Y285 HydrophobicContact CG-CE1 3.99Å; K283-Y285 HydrophobicContact CG-CE2 4.15Å; K283-Y285 WeakPolarHBondContact O-CE2 3.49Å; K283-D289 VanDerWaalsContact CE-OD1 3.23Å; K283-D289 WeakPolarHBondContact CE-OD1 3.44Å; K283-D289 IonicContact NZ-OD1 3.31Å; K283-D289 PolarHBondContact NZ-OD1 3.05Å; K283-Q292 HydrophobicContact CD-CG 4Å
284	N	97.4	Very high	96.5	Very high	75 Å²	75	45.8 Å²	45.8	40%	0.401	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	143	164.4	-67.2	-19.6	0	0	0	109.7	I276 I278	I276-N284 HydrophobicContact CD1-CB 4.03Å; I276-N284 HydrophobicContact CG1-CB 4.12Å; I276-N284 HydrophobicContact CG2-CB 3.8Å; I278-N284 CarbonylContact O-C 3.58Å; I278-N284 WeakPolarHBondContact O-CA 3.43Å
285	Y	98	Very high	96.5	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.5	-179.2	-49.5	-100	0	0	0	110.9	L277 I278 T280 K283 D289 Q292 D296	L277-Y285 PolarHBondContact N-O 3.27Å; I278-Y285 HydrophobicContact CB-CD2 4.04Å; I278-Y285 HydrophobicContact CG2-CD2 4.07Å; I278-Y285 PolarHBondContact N-O 3.28Å; I278-Y285 VanDerWaalsContact N-O 3.16Å; I278-Y285 PolarHBondContact O-N 2.94Å; T280-Y285 HydrophobicContact CG2-CD2 4.34Å; T280-Y285 HydrophobicContact CG2-CE2 3.66Å; K283-Y285 HydrophobicContact CB-CE1 4.48Å; K283-Y285 HydrophobicContact CB-CE2 4.13Å; K283-Y285 HydrophobicContact CD-CD1 4.21Å; K283-Y285 HydrophobicContact CD-CE1 3.81Å; K283-Y285 HydrophobicContact CG-CD1 4.3Å; K283-Y285 HydrophobicContact CG-CD2 4.47Å; K283-Y285 HydrophobicContact CG-CE1 3.99Å; K283-Y285 HydrophobicContact CG-CE2 4.15Å; K283-Y285 WeakPolarHBondContact O-CE2 3.49Å; Y285-D289 HydrophobicContact CD1-CB 4.02Å; Y285-D289 HydrophobicContact CG-CB 4.46Å; Y285-Q292 HydrophobicContact CE1-CB 4.42Å; Y285-Q292 HydrophobicContact CE1-CG 4.13Å; Y285-D296 WeakPolarHBondContact OH-CB 3.46Å; Y285-D296 PolarHBondContact OH-OD2 3.4Å
286	T	98.2	Very high	96.4	Very high	12 Å²	12	43.1 Å²	43.1	7%	0.074	22%	0.224	C	C	.	.			trans	-96.4	178.5	166.2	69.3	0	0	0	0	109.7	K273 E275 I276 H288 D289	K273-T286 WeakPolarHBondContact O-CG2 3.48Å; E275-T286 WeakPolarHBondContact O-CA 3.48Å; E275-T286 WeakPolarHBondContact O-CB 3.18Å; E275-T286 WeakPolarHBondContact O-CG2 3.44Å; I276-T286 HydrophobicContact CG1-CG2 4.41Å; T286-H288 PolarHBondContact O-N 2.95Å; T286-H288 PolarHBondContact OG1-N 3.44Å; T286-H288 VanDerWaalsContact OG1-N 3.13Å; T286-D289 WeakPolarHBondContact CB-OD2 3.5Å; T286-D289 PolarHBondContact N-OD2 2.72Å; T286-D289 PolarHBondContact O-N 2.81Å; T286-D289 VanDerWaalsContact O-N 3.11Å; T286-D289 PolarHBondContact OG1-N 3.1Å; T286-D289 PolarHBondContact OG1-OD2 2.9Å
287	V	97.2	Very high	96.2	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-63.6	-18.3	169.8	-59.6	0	0	0	0	113.7	P266 P268 W271 L277 Y290	P266-V287 HydrophobicContact CB-CG1 3.75Å; P268-V287 HydrophobicContact CB-CB 4.47Å; P268-V287 HydrophobicContact CB-CG2 4.09Å; P268-V287 HydrophobicContact CG-CB 4.26Å; P268-V287 HydrophobicContact CG-CG2 4.41Å; W271-V287 HydrophobicContact CB-CB 4.41Å; W271-V287 HydrophobicContact CB-CG1 3.67Å; W271-V287 HydrophobicContact CB-CG2 3.81Å; W271-V287 HydrophobicContact CG-CG1 4.2Å; W271-V287 WeakPolarHBondContact O-CG2 3.11Å; L277-V287 HydrophobicContact CD1-CG1 3.46Å; L277-V287 VanDerWaalsContact CD1-CG1 3.46Å; L277-V287 HydrophobicContact CG-CG1 4.43Å; V287-Y290 HydrophobicContact CB-CE1 4.32Å; V287-Y290 HydrophobicContact CB-CE2 4.3Å; V287-Y290 HydrophobicContact CG1-CE1 4.39Å; V287-Y290 WeakPolarHBondContact O-CD2 3.31Å; V287-Y290 VanDerWaalsContact O-CG 3.28Å
288	H	96.8	Very high	96	Very high	100 Å²	100	47 Å²	47	46%	0.463	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-87	-12.8	176	-65.3	-96	0	0	0	112.7	K273 T286 Y290	K273-H288 WeakPolarHBondContact CA-CD2 3.35Å; K273-H288 HydrophobicContact CB-CB 4.48Å; K273-H288 PolarHBondContact N-CD2 2.96Å; T286-H288 PolarHBondContact O-N 2.95Å; T286-H288 PolarHBondContact OG1-N 3.44Å; T286-H288 VanDerWaalsContact OG1-N 3.13Å; H288-Y290 VanDerWaalsContact C-N 3.32Å
289	D	97.7	Very high	95.8	Very high	40 Å²	40	47.8 Å²	47.8	21%	0.214	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-87.3	6	174.9	-69.2	-81.8	0	0	0	113.7	K283 Y285 T286 P291 Q292 Y293	K283-D289 VanDerWaalsContact CE-OD1 3.23Å; K283-D289 WeakPolarHBondContact CE-OD1 3.44Å; K283-D289 IonicContact NZ-OD1 3.31Å; K283-D289 PolarHBondContact NZ-OD1 3.05Å; Y285-D289 HydrophobicContact CD1-CB 4.02Å; Y285-D289 HydrophobicContact CG-CB 4.46Å; T286-D289 WeakPolarHBondContact CB-OD2 3.5Å; T286-D289 PolarHBondContact N-OD2 2.72Å; T286-D289 PolarHBondContact O-N 2.81Å; T286-D289 VanDerWaalsContact O-N 3.11Å; T286-D289 PolarHBondContact OG1-N 3.1Å; T286-D289 PolarHBondContact OG1-OD2 2.9Å; D289-P291 VanDerWaalsContact C-CD 3.41Å; D289-Q292 WeakPolarHBondContact O-CA 3.35Å; D289-Q292 WeakPolarHBondContact O-CB 3.44Å; D289-Q292 PolarHBondContact O-N 2.68Å; D289-Y293 PolarHBondContact O-N 2.52Å
290	Y	97.2	Very high	95.7	Very high	6 Å²	6	51.5 Å²	51.5	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-48.7	-42.3	-176.8	-75.8	-7.9	0	0	0	115.8	L233 P266 P268 V287 H288 Q292 Y293 F294 F306	L233-Y290 HydrophobicContact CD2-CE1 3.75Å; P266-Y290 WeakPolarHBondContact CB-OH 3.23Å; P266-Y290 VanDerWaalsContact CD-OH 3.3Å; P266-Y290 WeakPolarHBondContact CD-OH 3.33Å; P266-Y290 PolarHBondContact O-OH 3Å; P268-Y290 HydrophobicContact CG-CE2 4.45Å; V287-Y290 HydrophobicContact CB-CE1 4.32Å; V287-Y290 HydrophobicContact CB-CE2 4.3Å; V287-Y290 HydrophobicContact CG1-CE1 4.39Å; V287-Y290 WeakPolarHBondContact O-CD2 3.31Å; V287-Y290 VanDerWaalsContact O-CG 3.28Å; H288-Y290 VanDerWaalsContact C-N 3.32Å; Y290-Q292 VanDerWaalsContact C-N 3.26Å; Y290-Q292 PolarHBondContact O-N 3.34Å; Y290-Y293 HydrophobicContact CD1-CD1 4.32Å; Y290-Y293 PolarHBondContact O-N 3.4Å; Y290-F294 HydrophobicContact CG-CE2 4.45Å; Y290-F294 WeakPolarHBondContact O-CB 3.46Å; Y290-F294 WeakPolarHBondContact O-CD2 3.48Å; Y290-F294 PolarHBondContact O-N 3.48Å; Y290-F306 AromaticContact CD2-CD1 3.84Å; Y290-F306 HydrophobicContact CD2-CD1 3.84Å; Y290-F306 AromaticContact CD2-CE1 3.53Å; Y290-F306 HydrophobicContact CD2-CE1 3.53Å; Y290-F306 HydrophobicContact CD2-CZ 4.36Å; Y290-F306 HydrophobicContact CE2-CD1 4.13Å; Y290-F306 AromaticContact CE2-CE1 3.47Å; Y290-F306 HydrophobicContact CE2-CE1 3.47Å; Y290-F306 VanDerWaalsContact CE2-CE1 3.47Å; Y290-F306 AromaticContact CE2-CZ 3.85Å; Y290-F306 HydrophobicContact CE2-CZ 3.85Å
291	P	97	Very high	95.6	Very high	61 Å²	61	54 Å²	54	40%	0.396	28%	0.281	S	S	.	.	H	α-helix	trans	-53.4	-43.5	173.5	-23.8	31.4	0	0	0	113.1	D289 S295 Y303	D289-P291 VanDerWaalsContact C-CD 3.41Å; P291-S295 WeakPolarHBondContact O-CB 3.17Å; P291-S295 PolarHBondContact O-N 2.83Å; P291-Y303 HydrophobicContact CB-CE1 4.35Å; P291-Y303 HydrophobicContact CG-CD1 4.46Å; P291-Y303 HydrophobicContact CG-CD2 4.49Å; P291-Y303 HydrophobicContact CG-CE1 3.9Å; P291-Y303 HydrophobicContact CG-CE2 3.94Å
292	Q	96.8	Very high	95.8	Very high	81 Å²	81	51.6 Å²	51.6	38%	0.379	27%	0.266	S	S	.	.	H	α-helix	trans	-75	-43.7	179.6	-168.2	66.6	42.6	0	0	111.3	K283 Y285 D289 Y290 F294 S295 D296	K283-Q292 HydrophobicContact CD-CG 4Å; Y285-Q292 HydrophobicContact CE1-CB 4.42Å; Y285-Q292 HydrophobicContact CE1-CG 4.13Å; D289-Q292 WeakPolarHBondContact O-CA 3.35Å; D289-Q292 WeakPolarHBondContact O-CB 3.44Å; D289-Q292 PolarHBondContact O-N 2.68Å; Y290-Q292 VanDerWaalsContact C-N 3.26Å; Y290-Q292 PolarHBondContact O-N 3.34Å; Q292-F294 VanDerWaalsContact C-N 3.32Å; Q292-F294 PolarHBondContact O-N 3.04Å; Q292-S295 WeakPolarHBondContact O-CA 3.22Å; Q292-S295 WeakPolarHBondContact O-CB 3.45Å; Q292-S295 PolarHBondContact O-N 2.73Å; Q292-S295 VanDerWaalsContact O-N 3.09Å; Q292-D296 VanDerWaalsContact CG-OD2 3.29Å; Q292-D296 WeakPolarHBondContact CG-OD2 3.26Å; Q292-D296 PolarHBondContact NE2-OD1 3.05Å; Q292-D296 PolarHBondContact NE2-OD2 3.26Å; Q292-D296 PolarHBondContact O-N 3.14Å
293	Y	96.1	Very high	96	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-55.5	-45.7	176.7	168.1	-114	0	0	0	112.3	L233 T237 I278 D289 Y290 S297 F351	L233-Y293 HydrophobicContact CD2-CD1 4.2Å; L233-Y293 HydrophobicContact CD2-CE1 3.55Å; L233-Y293 PolarHBondContact O-OH 3.15Å; T237-Y293 HydrophobicContact CG2-CE2 3.9Å; T237-Y293 VanDerWaalsContact CG2-OH 3.23Å; T237-Y293 WeakPolarHBondContact CG2-OH 3.18Å; I278-Y293 HydrophobicContact CD1-CD2 3.62Å; I278-Y293 HydrophobicContact CD1-CE1 4.42Å; I278-Y293 HydrophobicContact CD1-CE2 3.18Å; I278-Y293 HydrophobicContact CD1-CG 4.39Å; D289-Y293 PolarHBondContact O-N 2.52Å; Y290-Y293 HydrophobicContact CD1-CD1 4.32Å; Y290-Y293 PolarHBondContact O-N 3.4Å; Y293-S297 WeakPolarHBondContact CE2-OG 3.45Å; Y293-S297 WeakPolarHBondContact O-CB 3.2Å; Y293-S297 PolarHBondContact O-N 3.05Å; Y293-S297 PolarHBondContact O-OG 3Å; Y293-F351 HydrophobicContact CD2-CZ 4.11Å; Y293-F351 HydrophobicContact CE2-CE2 4.36Å; Y293-F351 AromaticContact CE2-CZ 3.9Å; Y293-F351 HydrophobicContact CE2-CZ 3.9Å
294	F	96.6	Very high	96	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-69.6	-32.2	176.9	-79.3	-66.6	0	0	0	112.7	L236 L265 Y290 Q292 Y299 L300 Y303	L236-F294 HydrophobicContact CD1-CE1 4Å; L236-F294 HydrophobicContact CD1-CZ 4.24Å; L265-F294 HydrophobicContact CD1-CE2 4.38Å; L265-F294 HydrophobicContact CD1-CZ 3.7Å; Y290-F294 HydrophobicContact CG-CE2 4.45Å; Y290-F294 WeakPolarHBondContact O-CB 3.46Å; Y290-F294 WeakPolarHBondContact O-CD2 3.48Å; Y290-F294 PolarHBondContact O-N 3.48Å; Q292-F294 VanDerWaalsContact C-N 3.32Å; Q292-F294 PolarHBondContact O-N 3.04Å; F294-Y299 AromaticContact CD1-CD1 3.6Å; F294-Y299 HydrophobicContact CD1-CD1 3.6Å; F294-Y299 HydrophobicContact CD1-CE1 4.11Å; F294-Y299 HydrophobicContact CD1-CG 4.31Å; F294-Y299 VanDerWaalsContact CD1-O 3.27Å; F294-Y299 WeakPolarHBondContact CD1-O 3.37Å; F294-Y299 AromaticContact CE1-CD1 3.62Å; F294-Y299 HydrophobicContact CE1-CD1 3.62Å; F294-Y299 AromaticContact CE1-CE1 3.7Å; F294-Y299 HydrophobicContact CE1-CE1 3.7Å; F294-Y299 CarbonylContact O-C 3.4Å; F294-Y299 VanDerWaalsContact O-C 3.25Å; F294-Y299 WeakPolarHBondContact O-CA 3.47Å; F294-Y299 PolarHBondContact O-N 3.17Å; F294-L300 PolarHBondContact O-N 3.21Å; F294-Y303 VanDerWaalsContact CD2-CB 3.49Å; F294-Y303 HydrophobicContact CD2-CD2 4.02Å; F294-Y303 HydrophobicContact CD2-CG 4.2Å; F294-Y303 HydrophobicContact CE2-CD2 4.34Å
295	S	96.2	Very high	96	Very high	52 Å²	52	45.1 Å²	45.1	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-63.8	-55.7	171.4	-175.9	0	0	0	0	111.5	P291 Q292 S297 N298	P291-S295 WeakPolarHBondContact O-CB 3.17Å; P291-S295 PolarHBondContact O-N 2.83Å; Q292-S295 WeakPolarHBondContact O-CA 3.22Å; Q292-S295 WeakPolarHBondContact O-CB 3.45Å; Q292-S295 PolarHBondContact O-N 2.73Å; Q292-S295 VanDerWaalsContact O-N 3.09Å; S295-S297 PolarHBondContact O-N 2.82Å; S295-N298 WeakPolarHBondContact O-CA 3.38Å; S295-N298 PolarHBondContact O-N 2.82Å
296	D	95	Very high	95.9	Very high	62 Å²	62	45 Å²	45	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-71.5	-19.3	-173.8	-62.3	-15.6	0	0	0	112.4	Y285 Q292 N298 F351	Y285-D296 WeakPolarHBondContact OH-CB 3.46Å; Y285-D296 PolarHBondContact OH-OD2 3.4Å; Q292-D296 VanDerWaalsContact CG-OD2 3.29Å; Q292-D296 WeakPolarHBondContact CG-OD2 3.26Å; Q292-D296 PolarHBondContact NE2-OD1 3.05Å; Q292-D296 PolarHBondContact NE2-OD2 3.26Å; Q292-D296 PolarHBondContact O-N 3.14Å; D296-N298 VanDerWaalsContact C-N 3.3Å; D296-F351 HydrophobicContact CB-CE1 4.31Å
297	S	92.6	Very high	95.8	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.2	169.9	-58.4	0	0	0	0	114	R256 Y293 S295 F351	R256-S297 PolarHBondContact NH1-O 2.62Å; R256-S297 VanDerWaalsContact NH1-O 3.09Å; R256-S297 PolarHBondContact NH2-O 3.03Å; Y293-S297 WeakPolarHBondContact CE2-OG 3.45Å; Y293-S297 WeakPolarHBondContact O-CB 3.2Å; Y293-S297 PolarHBondContact O-N 3.05Å; Y293-S297 PolarHBondContact O-OG 3Å; S295-S297 PolarHBondContact O-N 2.82Å; S297-F351 VanDerWaalsContact OG-CZ 3.32Å; S297-F351 WeakPolarHBondContact OG-CZ 3.32Å
298	N	93.7	Very high	95.7	Very high	142 Å²	142	49 Å²	49	76%	0.759	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	54.1	-170	-169.2	29.2	0	0	0	112.8	R256 S295 D296	R256-N298 PolarHBondContact NH1-O 2.93Å; S295-N298 WeakPolarHBondContact O-CA 3.38Å; S295-N298 PolarHBondContact O-N 2.82Å; D296-N298 VanDerWaalsContact C-N 3.3Å
299	Y	94.2	Very high	95.6	Very high	20 Å²	20	44.4 Å²	44.4	8%	0.078	23%	0.23	C	C	.	.			trans	-151.9	50.1	-177.1	-177.6	-134.5	0	0	0	112.4	L236 R256 I262 F294 T301 G302 L305	L236-Y299 HydrophobicContact CD1-CE1 4.35Å; L236-Y299 HydrophobicContact CD2-CE1 4.02Å; R256-Y299 HydrophobicContact CB-CD1 4.44Å; R256-Y299 HydrophobicContact CB-CD2 4.16Å; R256-Y299 HydrophobicContact CB-CE1 4.11Å; R256-Y299 HydrophobicContact CB-CE2 3.82Å; R256-Y299 HydrophobicContact CB-CG 4.5Å; R256-Y299 HydrophobicContact CG-CD1 3.76Å; R256-Y299 HydrophobicContact CG-CD2 4.14Å; R256-Y299 HydrophobicContact CG-CE1 3.78Å; R256-Y299 HydrophobicContact CG-CE2 4.17Å; R256-Y299 HydrophobicContact CG-CG 3.98Å; R256-Y299 WeakPolarHBondContact O-CE2 3.44Å; R256-Y299 VanDerWaalsContact O-CZ 3.24Å; R256-Y299 PolarHBondContact O-OH 3.1Å; I262-Y299 HydrophobicContact CD1-CE1 3.8Å; I262-Y299 WeakPolarHBondContact CD1-OH 3.45Å; F294-Y299 AromaticContact CD1-CD1 3.6Å; F294-Y299 HydrophobicContact CD1-CD1 3.6Å; F294-Y299 HydrophobicContact CD1-CE1 4.11Å; F294-Y299 HydrophobicContact CD1-CG 4.31Å; F294-Y299 VanDerWaalsContact CD1-O 3.27Å; F294-Y299 WeakPolarHBondContact CD1-O 3.37Å; F294-Y299 AromaticContact CE1-CD1 3.62Å; F294-Y299 HydrophobicContact CE1-CD1 3.62Å; F294-Y299 AromaticContact CE1-CE1 3.7Å; F294-Y299 HydrophobicContact CE1-CE1 3.7Å; F294-Y299 CarbonylContact O-C 3.4Å; F294-Y299 VanDerWaalsContact O-C 3.25Å; F294-Y299 WeakPolarHBondContact O-CA 3.47Å; F294-Y299 PolarHBondContact O-N 3.17Å; Y299-T301 PolarHBondContact O-N 3.38Å; Y299-T301 VanDerWaalsContact O-N 3.09Å; Y299-G302 VanDerWaalsContact CE1-CA 3.41Å; Y299-G302 PolarHBondContact O-N 3.28Å; Y299-G302 WeakPolarHBondContact OH-CA 3.33Å; Y299-L305 WeakPolarHBondContact OH-CD1 3.47Å
300	L	94.2	Very high	95.5	Very high	113 Å²	113	44.9 Å²	44.9	59%	0.592	23%	0.232	S	C	*	.	H	α-helix	trans	-52.8	-32.9	-179.1	-69.8	171.3	0	0	0	114.1	F294 G302 Y303	F294-L300 PolarHBondContact O-N 3.21Å; L300-G302 PolarHBondContact O-N 3.05Å; L300-Y303 PolarHBondContact O-N 2.87Å
301	T	94.1	Very high	95.4	Very high	62 Å²	62	49.7 Å²	49.7	38%	0.38	27%	0.267	S	S	.	.	H	α-helix	trans	-57.8	-33.9	176.4	-48.8	0	0	0	0	112.6	Y99 Y299 Y303 K304 L305	Y99-T301 HydrophobicContact CD1-CG2 4.36Å; Y99-T301 HydrophobicContact CE1-CG2 4.39Å; Y299-T301 PolarHBondContact O-N 3.38Å; Y299-T301 VanDerWaalsContact O-N 3.09Å; T301-Y303 VanDerWaalsContact C-N 3.29Å; T301-Y303 PolarHBondContact O-N 2.87Å; T301-K304 WeakPolarHBondContact O-CB 3.23Å; T301-K304 PolarHBondContact O-N 3.03Å; T301-L305 HydrophobicContact CG2-CD1 4.13Å; T301-L305 HydrophobicContact CG2-CG 4.29Å; T301-L305 WeakPolarHBondContact O-CG 3.35Å; T301-L305 PolarHBondContact O-N 2.89Å
302	G	95.7	Very high	95.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-36.9	179.2	0	0	0	0	0	113.5	Y299 L300 K304 L305 F306	Y299-G302 VanDerWaalsContact CE1-CA 3.41Å; Y299-G302 PolarHBondContact O-N 3.28Å; Y299-G302 WeakPolarHBondContact OH-CA 3.33Å; L300-G302 PolarHBondContact O-N 3.05Å; G302-K304 VanDerWaalsContact C-N 3.34Å; G302-K304 PolarHBondContact O-N 3Å; G302-L305 PolarHBondContact O-N 3.46Å; G302-F306 WeakPolarHBondContact O-CB 3.5Å; G302-F306 PolarHBondContact O-N 3.39Å
303	Y	96	Very high	95.2	Very high	76 Å²	76	45.9 Å²	45.9	30%	0.298	25%	0.253	S	S	.	.	H	α-helix	trans	-66.4	-37.3	174.9	-172.9	-119.7	0	0	0	112.2	P291 F294 L300 T301 F306 T307	P291-Y303 HydrophobicContact CB-CE1 4.35Å; P291-Y303 HydrophobicContact CG-CD1 4.46Å; P291-Y303 HydrophobicContact CG-CD2 4.49Å; P291-Y303 HydrophobicContact CG-CE1 3.9Å; P291-Y303 HydrophobicContact CG-CE2 3.94Å; F294-Y303 VanDerWaalsContact CD2-CB 3.49Å; F294-Y303 HydrophobicContact CD2-CD2 4.02Å; F294-Y303 HydrophobicContact CD2-CG 4.2Å; F294-Y303 HydrophobicContact CE2-CD2 4.34Å; L300-Y303 PolarHBondContact O-N 2.87Å; T301-Y303 VanDerWaalsContact C-N 3.29Å; T301-Y303 PolarHBondContact O-N 2.87Å; Y303-F306 PolarHBondContact O-N 2.83Å; Y303-T307 HydrophobicContact CD1-CG2 4.44Å; Y303-T307 HydrophobicContact CD2-CG2 4.28Å; Y303-T307 HydrophobicContact CE1-CG2 3.95Å; Y303-T307 HydrophobicContact CE2-CG2 3.77Å; Y303-T307 WeakPolarHBondContact O-CB 3.28Å; Y303-T307 WeakPolarHBondContact O-CG2 3.45Å; Y303-T307 PolarHBondContact O-N 2.95Å; Y303-T307 PolarHBondContact O-OG1 2.95Å
304	K	96.1	Very high	95.2	Very high	103 Å²	103	46.8 Å²	46.8	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-67.2	-43.6	176.6	-61.8	-64.2	-174.5	178.8	0	111.5	Y99 T301 G302 F306 T307 R308	Y99-K304 HydrophobicContact CD1-CB 4.28Å; Y99-K304 HydrophobicContact CD2-CB 4.49Å; Y99-K304 HydrophobicContact CE1-CB 3.76Å; Y99-K304 HydrophobicContact CE1-CG 4.27Å; Y99-K304 HydrophobicContact CE2-CB 3.98Å; T301-K304 WeakPolarHBondContact O-CB 3.23Å; T301-K304 PolarHBondContact O-N 3.03Å; G302-K304 VanDerWaalsContact C-N 3.34Å; G302-K304 PolarHBondContact O-N 3Å; K304-F306 VanDerWaalsContact C-N 3.35Å; K304-F306 PolarHBondContact O-N 3.22Å; K304-T307 WeakPolarHBondContact CA-OG1 3.39Å; K304-T307 PolarHBondContact O-N 2.86Å; K304-T307 PolarHBondContact O-OG1 3.35Å; K304-T307 VanDerWaalsContact O-OG1 3.05Å; K304-R308 WeakPolarHBondContact O-CB 3.45Å; K304-R308 PolarHBondContact O-N 2.83Å
305	L	96.3	Very high	95.2	Very high	6 Å²	6	47 Å²	47	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-43	173.8	-65.6	168.9	0	0	0	111.5	Y99 T259 I262 Y299 T301 G302 R308 Y309	Y99-L305 HydrophobicContact CD1-CD2 4.44Å; Y99-L305 HydrophobicContact CG-CD2 4.42Å; T259-L305 HydrophobicContact CG2-CD1 4.43Å; T259-L305 HydrophobicContact CG2-CD2 3.77Å; I262-L305 HydrophobicContact CB-CB 4.43Å; I262-L305 HydrophobicContact CG1-CB 4.29Å; I262-L305 HydrophobicContact CG1-CD1 4.32Å; I262-L305 HydrophobicContact CG2-CB 3.9Å; Y299-L305 WeakPolarHBondContact OH-CD1 3.47Å; T301-L305 HydrophobicContact CG2-CD1 4.13Å; T301-L305 HydrophobicContact CG2-CG 4.29Å; T301-L305 WeakPolarHBondContact O-CG 3.35Å; T301-L305 PolarHBondContact O-N 2.89Å; G302-L305 PolarHBondContact O-N 3.46Å; L305-R308 PolarHBondContact O-N 2.8Å; L305-Y309 PolarHBondContact O-N 2.79Å
306	F	96.4	Very high	95.2	Very high	5 Å²	5	46 Å²	46	2%	0.022	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-45.4	179.3	-172	-120.4	0	0	0	112.9	I262 L265 P268 Y290 G302 Y303 K304 R308 Y309 L310	I262-F306 HydrophobicContact CG2-CB 3.6Å; I262-F306 HydrophobicContact CG2-CD2 4.14Å; I262-F306 HydrophobicContact CG2-CG 4.36Å; I262-F306 VanDerWaalsContact O-CD2 3.3Å; I262-F306 WeakPolarHBondContact O-CD2 3.39Å; L265-F306 HydrophobicContact CB-CD2 4.08Å; L265-F306 HydrophobicContact CB-CE2 3.68Å; L265-F306 HydrophobicContact CB-CZ 4.17Å; L265-F306 HydrophobicContact CD1-CD2 4.07Å; L265-F306 HydrophobicContact CD1-CE2 4.49Å; L265-F306 HydrophobicContact CD1-CG 4.36Å; P268-F306 HydrophobicContact CG-CE1 4.22Å; Y290-F306 AromaticContact CD2-CD1 3.84Å; Y290-F306 HydrophobicContact CD2-CD1 3.84Å; Y290-F306 AromaticContact CD2-CE1 3.53Å; Y290-F306 HydrophobicContact CD2-CE1 3.53Å; Y290-F306 HydrophobicContact CD2-CZ 4.36Å; Y290-F306 HydrophobicContact CE2-CD1 4.13Å; Y290-F306 AromaticContact CE2-CE1 3.47Å; Y290-F306 HydrophobicContact CE2-CE1 3.47Å; Y290-F306 VanDerWaalsContact CE2-CE1 3.47Å; Y290-F306 AromaticContact CE2-CZ 3.85Å; Y290-F306 HydrophobicContact CE2-CZ 3.85Å; G302-F306 WeakPolarHBondContact O-CB 3.5Å; G302-F306 PolarHBondContact O-N 3.39Å; Y303-F306 PolarHBondContact O-N 2.83Å; K304-F306 VanDerWaalsContact C-N 3.35Å; K304-F306 PolarHBondContact O-N 3.22Å; F306-R308 VanDerWaalsContact C-N 3.34Å; F306-R308 PolarHBondContact O-N 3.43Å; F306-Y309 PolarHBondContact O-N 2.86Å; F306-L310 HydrophobicContact CD1-CD1 4.14Å; F306-L310 HydrophobicContact CD2-CG 4.49Å; F306-L310 HydrophobicContact CE1-CD1 3.52Å; F306-L310 HydrophobicContact CE1-CG 4.37Å; F306-L310 HydrophobicContact CE2-CD1 4.05Å; F306-L310 HydrophobicContact CE2-CD2 4.45Å; F306-L310 HydrophobicContact CE2-CG 4.12Å; F306-L310 HydrophobicContact CZ-CD1 3.49Å; F306-L310 VanDerWaalsContact CZ-CD1 3.49Å; F306-L310 HydrophobicContact CZ-CG 4.08Å; F306-L310 PolarHBondContact O-N 3Å
307	T	95.4	Very high	95.2	Very high	47 Å²	47	48.2 Å²	48.2	29%	0.288	26%	0.258	S	S	.	.	H	α-helix	trans	-64.8	-36.7	177.1	47.6	0	0	0	0	112.2	Y303 K304 S311	Y303-T307 HydrophobicContact CD1-CG2 4.44Å; Y303-T307 HydrophobicContact CD2-CG2 4.28Å; Y303-T307 HydrophobicContact CE1-CG2 3.95Å; Y303-T307 HydrophobicContact CE2-CG2 3.77Å; Y303-T307 WeakPolarHBondContact O-CB 3.28Å; Y303-T307 WeakPolarHBondContact O-CG2 3.45Å; Y303-T307 PolarHBondContact O-N 2.95Å; Y303-T307 PolarHBondContact O-OG1 2.95Å; K304-T307 WeakPolarHBondContact CA-OG1 3.39Å; K304-T307 PolarHBondContact O-N 2.86Å; K304-T307 PolarHBondContact O-OG1 3.35Å; K304-T307 VanDerWaalsContact O-OG1 3.05Å; T307-S311 WeakPolarHBondContact O-CB 3.45Å; T307-S311 PolarHBondContact O-N 2.95Å; T307-S311 VanDerWaalsContact O-N 3.15Å; T307-S311 PolarHBondContact O-OG 2.9Å
308	R	94.8	Very high	95.3	Very high	49 Å²	49	49.3 Å²	49.3	19%	0.185	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-51.5	170.5	179.7	-174.8	134.3	174.9	-13.8	111.5	T98 Y99 E100 D163 D164 K304 L305 F306 L310 S311 A312	T98-R308 PolarHBondContact O-NH1 3.36Å; Y99-R308 PolarHBondContact O-NH1 3.22Å; E100-R308 VanDerWaalsContact CA-NH1 3.34Å; D163-R308 IonicContact OD2-CZ 2.67Å; D163-R308 VanDerWaalsContact OD2-CZ 3.3Å; D163-R308 IonicContact OD2-NE 2.7Å; D163-R308 PolarHBondContact OD2-NE 3.29Å; D163-R308 IonicContact OD2-NH2 3.23Å; D163-R308 PolarHBondContact OD2-NH2 3.01Å; D164-R308 IonicContact OD1-CZ 2.66Å; D164-R308 IonicContact OD1-NH1 3.38Å; D164-R308 IonicContact OD1-NH2 3.83Å; D164-R308 PolarHBondContact OD1-NH2 3.25Å; K304-R308 WeakPolarHBondContact O-CB 3.45Å; K304-R308 PolarHBondContact O-N 2.83Å; L305-R308 PolarHBondContact O-N 2.8Å; F306-R308 VanDerWaalsContact C-N 3.34Å; F306-R308 PolarHBondContact O-N 3.43Å; R308-L310 PolarHBondContact O-N 2.73Å; R308-S311 WeakPolarHBondContact O-CB 3.29Å; R308-S311 PolarHBondContact O-N 2.82Å; R308-S311 VanDerWaalsContact O-N 3.1Å; R308-A312 PolarHBondContact O-N 3.19Å; R308-A312 VanDerWaalsContact O-N 3.09Å
309	Y	96.2	Very high	95.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-56	-52.1	-178.8	171.5	-107.6	0	0	0	112.1	D163 A263 L305 F306 S311 A312 F313	D163-Y309 WeakPolarHBondContact OD1-CD2 3.49Å; A263-Y309 HydrophobicContact CB-CD1 3.95Å; A263-Y309 HydrophobicContact CB-CD2 3.8Å; A263-Y309 HydrophobicContact CB-CE1 3.75Å; A263-Y309 HydrophobicContact CB-CE2 3.6Å; A263-Y309 HydrophobicContact CB-CG 3.96Å; A263-Y309 WeakPolarHBondContact O-CE1 3.14Å; L305-Y309 PolarHBondContact O-N 2.79Å; F306-Y309 PolarHBondContact O-N 2.86Å; Y309-S311 PolarHBondContact O-N 2.98Å; Y309-A312 PolarHBondContact O-N 3.09Å; Y309-F313 HydrophobicContact CE2-CB 4.47Å; Y309-F313 AromaticContact CE2-CD1 3.79Å; Y309-F313 HydrophobicContact CE2-CD1 3.79Å; Y309-F313 AromaticContact CZ-CD1 3.74Å; Y309-F313 PolarHBondContact O-N 3.24Å; Y309-F313 VanDerWaalsContact OH-CD1 3.3Å; Y309-F313 WeakPolarHBondContact OH-CD1 3.45Å
310	L	95.1	Very high	95.4	Very high	51 Å²	51	47.4 Å²	47.4	27%	0.267	25%	0.254	S	S	.	.	H	α-helix	trans	-65.8	-21.4	178.7	-69	-175.2	0	0	0	113.8	F306 R308	F306-L310 HydrophobicContact CD1-CD1 4.14Å; F306-L310 HydrophobicContact CD2-CG 4.49Å; F306-L310 HydrophobicContact CE1-CD1 3.52Å; F306-L310 HydrophobicContact CE1-CG 4.37Å; F306-L310 HydrophobicContact CE2-CD1 4.05Å; F306-L310 HydrophobicContact CE2-CD2 4.45Å; F306-L310 HydrophobicContact CE2-CG 4.12Å; F306-L310 HydrophobicContact CZ-CD1 3.49Å; F306-L310 VanDerWaalsContact CZ-CD1 3.49Å; F306-L310 HydrophobicContact CZ-CG 4.08Å; F306-L310 PolarHBondContact O-N 3Å; R308-L310 PolarHBondContact O-N 2.73Å
311	S	95.2	Very high	95.5	Very high	107 Å²	107	47.2 Å²	47.2	75%	0.748	25%	0.247	S	C	*	.	H	α-helix	trans	-78.3	-27.1	172.8	-57.7	0	0	0	0	112.5	T307 R308 Y309	T307-S311 WeakPolarHBondContact O-CB 3.45Å; T307-S311 PolarHBondContact O-N 2.95Å; T307-S311 VanDerWaalsContact O-N 3.15Å; T307-S311 PolarHBondContact O-OG 2.9Å; R308-S311 WeakPolarHBondContact O-CB 3.29Å; R308-S311 PolarHBondContact O-N 2.82Å; R308-S311 VanDerWaalsContact O-N 3.1Å; Y309-S311 PolarHBondContact O-N 2.98Å
312	A	94.8	Very high	95.6	Very high	54 Å²	54	44.6 Å²	44.6	45%	0.446	23%	0.231	S	C	.	.	H	α-helix	trans	-89.8	-29.1	179	0	0	0	0	0	113	D163 R308 Y309	D163-A312 HydrophobicContact CB-CB 3.75Å; R308-A312 PolarHBondContact O-N 3.19Å; R308-A312 VanDerWaalsContact O-N 3.09Å; Y309-A312 PolarHBondContact O-N 3.09Å
313	F	95.2	Very high	95.6	Very high	8 Å²	8	48 Å²	48	4%	0.035	25%	0.252	C	S	.	.			trans	-156.1	124.2	-173.2	176.3	-128.8	0	0	0	112.8	L198 L201 Y202 K205 Y309 P315	L198-F313 HydrophobicContact CB-CE1 4.39Å; L201-F313 HydrophobicContact CB-CZ 3.99Å; L201-F313 HydrophobicContact CD2-CE2 4.34Å; L201-F313 HydrophobicContact CD2-CZ 3.86Å; L201-F313 HydrophobicContact CG-CE2 3.92Å; L201-F313 HydrophobicContact CG-CZ 3.67Å; Y202-F313 HydrophobicContact CD2-CB 3.77Å; Y202-F313 HydrophobicContact CD2-CD1 4.19Å; Y202-F313 AromaticContact CD2-CD2 3.7Å; Y202-F313 HydrophobicContact CD2-CD2 3.7Å; Y202-F313 HydrophobicContact CD2-CE2 4.3Å; Y202-F313 AromaticContact CD2-CG 3.64Å; Y202-F313 HydrophobicContact CD2-CG 3.64Å; Y202-F313 HydrophobicContact CE2-CB 4.05Å; Y202-F313 HydrophobicContact CE2-CG 4.41Å; Y202-F313 HydrophobicContact CG-CG 4.49Å; K205-F313 HydrophobicContact CD-CD2 4.14Å; K205-F313 HydrophobicContact CD-CE2 3.93Å; Y309-F313 HydrophobicContact CE2-CB 4.47Å; Y309-F313 AromaticContact CE2-CD1 3.79Å; Y309-F313 HydrophobicContact CE2-CD1 3.79Å; Y309-F313 AromaticContact CZ-CD1 3.74Å; Y309-F313 PolarHBondContact O-N 3.24Å; Y309-F313 VanDerWaalsContact OH-CD1 3.3Å; Y309-F313 WeakPolarHBondContact OH-CD1 3.45Å; F313-P315 HydrophobicContact CD1-CB 4.48Å; F313-P315 HydrophobicContact CE1-CB 3.84Å; F313-P315 HydrophobicContact CZ-CB 4.1Å; F313-P315 WeakPolarHBondContact O-CD 3.16Å
314	D	95.9	Very high	95.6	Very high	20 Å²	20	46.2 Å²	46.2	11%	0.107	25%	0.247	C	C	.	.			trans	-96.6	106.6	166.4	-167.4	-15.8	0	0	0	111.2	K205 K269 L316 E317	K205-D314 PolarHBondContact NZ-O 3Å; K269-D314 WeakPolarHBondContact CD-OD2 3.16Å; K269-D314 IonicContact NZ-OD2 3.95Å; K269-D314 PolarHBondContact NZ-OD2 2.78Å; D314-L316 PolarHBondContact O-N 3.32Å; D314-L316 VanDerWaalsContact OD1-CB 3.25Å; D314-L316 WeakPolarHBondContact OD1-CB 3.48Å; D314-L316 WeakPolarHBondContact OD1-CG 3.35Å; D314-L316 PolarHBondContact OD1-N 3.28Å; D314-E317 HydrophobicContact CB-CG 4.08Å
315	P	95.6	Very high	95.6	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.026	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-6.3	177.5	28.9	-35.7	0	0	0	114.4	L198 L201 L226 F313	L198-P315 HydrophobicContact CD2-CB 3.87Å; L201-P315 WeakPolarHBondContact CD2-O 3.44Å; L226-P315 WeakPolarHBondContact O-CB 3.43Å; L226-P315 VanDerWaalsContact O-CG 3.22Å; L226-P315 WeakPolarHBondContact O-CG 3.44Å; F313-P315 HydrophobicContact CD1-CB 4.48Å; F313-P315 HydrophobicContact CE1-CB 3.84Å; F313-P315 HydrophobicContact CZ-CB 4.1Å; F313-P315 WeakPolarHBondContact O-CD 3.16Å
316	L	96.8	Very high	95.6	Very high	31 Å²	31	41.8 Å²	41.8	16%	0.162	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-20.6	179.9	-56.8	178.6	0	0	0	114.2	L226 K269 D314 V374 W378	L226-L316 WeakPolarHBondContact O-CD2 3.47Å; K269-L316 HydrophobicContact CB-CD1 3.5Å; K269-L316 HydrophobicContact CD-CD1 4.16Å; K269-L316 HydrophobicContact CG-CD1 4.45Å; D314-L316 PolarHBondContact O-N 3.32Å; D314-L316 VanDerWaalsContact OD1-CB 3.25Å; D314-L316 WeakPolarHBondContact OD1-CB 3.48Å; D314-L316 WeakPolarHBondContact OD1-CG 3.35Å; D314-L316 PolarHBondContact OD1-N 3.28Å; L316-V374 HydrophobicContact CB-CG1 4.12Å; L316-V374 HydrophobicContact CD2-CB 4.27Å; L316-V374 HydrophobicContact CD2-CG1 3.64Å; L316-V374 HydrophobicContact CD2-CG2 3.64Å; L316-V374 HydrophobicContact CG-CG1 4.49Å; L316-W378 PolarHBondContact O-NE1 2.97Å
317	E	95.3	Very high	95.7	Very high	108 Å²	108	41.7 Å²	41.7	51%	0.505	23%	0.227	S	C	.	.	S	Bend	trans	-85.2	147.8	-176.6	-45.8	171.1	143.2	0	0	112.2	K205 D314	K205-E317 IonicContact NZ-OE2 2.9Å; K205-E317 PolarHBondContact NZ-OE2 3.09Å; D314-E317 HydrophobicContact CB-CG 4.08Å
318	A	95.3	Very high	95.8	Very high	25 Å²	25	39.5 Å²	39.5	21%	0.207	21%	0.213	C	C	.	.			trans	-66	147.9	-178.4	0	0	0	0	0	113.2	E320 W378	A318-E320 VanDerWaalsContact C-N 3.34Å; A318-E320 PolarHBondContact O-N 3.1Å; A318-W378 HydrophobicContact CB-CB 3.81Å; A318-W378 HydrophobicContact CB-CD2 3.94Å; A318-W378 HydrophobicContact CB-CG 3.54Å
319	P	95.2	Very high	95.9	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.019	21%	0.205	C	C	.	.			trans	-74.9	84.5	168.4	29.8	-31.3	0	0	0	110.3	L201 L204 F219 V322 V325 W378	L201-P319 HydrophobicContact CD1-CB 3.58Å; L201-P319 HydrophobicContact CD1-CG 3.92Å; L204-P319 HydrophobicContact CB-CB 4.31Å; L204-P319 HydrophobicContact CD1-CB 4.36Å; F219-P319 HydrophobicContact CD1-CG 4.19Å; P319-V322 HydrophobicContact CB-CG2 3.86Å; P319-V322 HydrophobicContact CG-CG2 4.42Å; P319-V322 WeakPolarHBondContact O-CG2 3.46Å; P319-V322 PolarHBondContact O-N 3.15Å; P319-V325 HydrophobicContact CG-CG1 4.25Å; P319-V325 HydrophobicContact CG-CG2 3.8Å; P319-W378 HydrophobicContact CG-CZ3 4.35Å
320	E	94.7	Very high	96	Very high	119 Å²	119	37.1 Å²	37.1	56%	0.556	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	145	-179.1	-62.4	-167.8	170.4	0	0	113	K212 A318 V322	K212-E320 VanDerWaalsContact CE-O 3.25Å; K212-E320 WeakPolarHBondContact CE-O 3.47Å; K212-E320 PolarHBondContact NZ-O 3.14Å; A318-E320 VanDerWaalsContact C-N 3.34Å; A318-E320 PolarHBondContact O-N 3.1Å; E320-V322 PolarHBondContact O-N 2.86Å
321	Y	95.5	Very high	96.2	Very high	110 Å²	110	34.9 Å²	34.9	43%	0.431	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	12.8	178.1	-39.4	-72.8	0	0	0	116.4	K209	K209-Y321 HydrophobicContact CB-CD1 4.47Å; K209-Y321 HydrophobicContact CB-CD2 3.95Å; K209-Y321 HydrophobicContact CB-CG 3.92Å; K209-Y321 HydrophobicContact CD-CD1 3.56Å; K209-Y321 HydrophobicContact CD-CD2 4.42Å; K209-Y321 HydrophobicContact CD-CE1 3.85Å; K209-Y321 HydrophobicContact CD-CG 3.9Å; K209-Y321 HydrophobicContact CG-CD1 3.86Å; K209-Y321 HydrophobicContact CG-CD2 4.22Å; K209-Y321 HydrophobicContact CG-CG 3.68Å
322	V	96.3	Very high	96.3	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.042	18%	0.181	C	C	.	.			trans	-74.9	128	162.6	178.3	0	0	0	0	108.6	L204 K212 I216 F219 P319 E320 E324 V325	L204-V322 HydrophobicContact CB-CG2 4.47Å; L204-V322 HydrophobicContact CD1-CG2 4.05Å; L204-V322 HydrophobicContact CD2-CG2 4Å; L204-V322 HydrophobicContact CG-CG2 4.4Å; K212-V322 HydrophobicContact CD-CG2 3.91Å; I216-V322 HydrophobicContact CG2-CG1 4.08Å; F219-V322 HydrophobicContact CB-CG1 4.18Å; P319-V322 HydrophobicContact CB-CG2 3.86Å; P319-V322 HydrophobicContact CG-CG2 4.42Å; P319-V322 WeakPolarHBondContact O-CG2 3.46Å; P319-V322 PolarHBondContact O-N 3.15Å; E320-V322 PolarHBondContact O-N 2.86Å; V322-E324 WeakPolarHBondContact CG1-O 3.4Å; V322-E324 PolarHBondContact O-N 2.88Å; V322-V325 HydrophobicContact CB-CG2 3.95Å; V322-V325 HydrophobicContact CG1-CG2 3.92Å
323	P	95	Very high	96.4	Very high	70 Å²	70	31.6 Å²	31.6	46%	0.455	17%	0.171	S	C	.	.	S	Bend	trans	-60.7	-40.3	-174.2	-27.8	37.3	0	0	0	114.1	I216	I216-P323 WeakPolarHBondContact O-CG 3.27Å
324	E	95.6	Very high	96.6	Very high	39 Å²	39	37.3 Å²	37.3	18%	0.182	20%	0.201	C	C	.	.			trans	-138.5	129	177.7	-59.2	-175.5	-127.5	0	0	110.9	K217 S218 F219 V322 Y326 K382	K217-E324 IonicContact NZ-OE1 3.71Å; K217-E324 PolarHBondContact NZ-OE1 2.83Å; S218-E324 CarbonylContact C-O 3.52Å; S218-E324 WeakPolarHBondContact CA-O 3.49Å; F219-E324 PolarHBondContact N-O 3.04Å; V322-E324 WeakPolarHBondContact CG1-O 3.4Å; V322-E324 PolarHBondContact O-N 2.88Å; E324-Y326 HydrophobicContact CB-CD2 4.47Å; E324-Y326 HydrophobicContact CB-CE2 3.83Å; E324-Y326 WeakPolarHBondContact OE2-CE2 3.43Å; E324-Y326 PolarHBondContact OE2-OH 3Å; E324-K382 IonicContact OE2-NZ 2.74Å; E324-K382 PolarHBondContact OE2-NZ 3.36Å
325	V	96.8	Very high	96.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124	175.5	-176.2	0	0	0	0	107.9	F219 P319 V322 W378 A381 K382	F219-V325 HydrophobicContact CD1-CG1 4.37Å; P319-V325 HydrophobicContact CG-CG1 4.25Å; P319-V325 HydrophobicContact CG-CG2 3.8Å; V322-V325 HydrophobicContact CB-CG2 3.95Å; V322-V325 HydrophobicContact CG1-CG2 3.92Å; V325-W378 HydrophobicContact CG1-CE3 3.98Å; V325-W378 HydrophobicContact CG1-CZ3 3.99Å; V325-A381 WeakPolarHBondContact O-CA 3.44Å; V325-K382 PolarHBondContact O-N 3.4Å
326	Y	97.4	Very high	96.6	Very high	16 Å²	16	36.7 Å²	36.7	6%	0.063	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.7	175.3	-67.4	-87.9	0	0	0	108.8	F219 L220 S221 E324 K382 F403 N407	F219-Y326 PolarHBondContact O-N 3.36Å; L220-Y326 HydrophobicContact CD1-CD2 3.82Å; L220-Y326 HydrophobicContact CD1-CG 4.44Å; L220-Y326 HydrophobicContact CG-CD2 4.37Å; S221-Y326 WeakPolarHBondContact CB-O 3.06Å; S221-Y326 PolarHBondContact N-O 2.83Å; E324-Y326 HydrophobicContact CB-CD2 4.47Å; E324-Y326 HydrophobicContact CB-CE2 3.83Å; E324-Y326 WeakPolarHBondContact OE2-CE2 3.43Å; E324-Y326 PolarHBondContact OE2-OH 3Å; Y326-K382 CarbonylContact C-O 3.58Å; Y326-K382 WeakPolarHBondContact CA-O 3.44Å; Y326-K382 HydrophobicContact CD1-CB 3.59Å; Y326-K382 HydrophobicContact CD1-CD 3.94Å; Y326-K382 HydrophobicContact CD1-CG 4.41Å; Y326-K382 HydrophobicContact CE1-CB 3.75Å; Y326-K382 HydrophobicContact CE1-CD 3.24Å; Y326-K382 HydrophobicContact CE1-CG 4.14Å; Y326-K382 HydrophobicContact CE2-CD 4.29Å; Y326-K382 HydrophobicContact CG-CB 4.41Å; Y326-K382 VanDerWaalsContact CZ-CD 3.43Å; Y326-K382 WeakPolarHBondContact OH-CD 3.03Å; Y326-K382 PolarHBondContact OH-NZ 3.19Å; Y326-F403 HydrophobicContact CD1-CE1 4.46Å; Y326-F403 HydrophobicContact CD1-CE2 4.32Å; Y326-F403 AromaticContact CD1-CZ 3.53Å; Y326-F403 HydrophobicContact CD1-CZ 3.53Å; Y326-F403 HydrophobicContact CE1-CE2 4.43Å; Y326-F403 AromaticContact CE1-CZ 3.92Å; Y326-F403 HydrophobicContact CE1-CZ 3.92Å; Y326-F403 HydrophobicContact CG-CZ 4.11Å; Y326-N407 WeakPolarHBondContact CE1-OD1 3.14Å; Y326-N407 PolarHBondContact OH-OD1 2.7Å
327	C	96.7	Very high	96.7	Very high	3 Å²	3	37 Å²	37	2%	0.02	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.2	173.7	-169.5	0	0	0	0	109.3	C375 K382 V384	C327-C375 HydrophobicContact CB-CB 3.5Å; C327-C375 VanDerWaalsContact CB-CB 3.5Å; C327-C375 WeakPolarHBondContact CB-SG 3.37Å; C327-C375 WeakPolarHBondContact SG-CB 3.4Å; C327-C375 CovalentContact SG-SG 2Å; C327-C375 PolarHBondContact SG-SG 3.03Å; C327-K382 PolarHBondContact N-O 2.82Å; C327-V384 PolarHBondContact O-N 3.37Å
328	I	98.2	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.3	-167.6	-55	162.6	0	0	0	107.1	L220 S221 V222 S223 V384 F386 I394 F400 F403	L220-I328 HydrophobicContact CB-CD1 3.92Å; L220-I328 HydrophobicContact CD2-CD1 4.28Å; L220-I328 HydrophobicContact CG-CD1 3.94Å; S221-I328 PolarHBondContact O-N 3.28Å; V222-I328 CarbonylContact C-O 3.51Å; V222-I328 VanDerWaalsContact CA-O 3.28Å; V222-I328 WeakPolarHBondContact CA-O 3.31Å; V222-I328 HydrophobicContact CG1-CB 4.42Å; V222-I328 HydrophobicContact CG1-CG2 4.2Å; V222-I328 HydrophobicContact CG2-CB 4.31Å; V222-I328 HydrophobicContact CG2-CD1 4.05Å; S223-I328 PolarHBondContact N-O 2.82Å; I328-V384 WeakPolarHBondContact CA-O 3.07Å; I328-V384 HydrophobicContact CG1-CB 4.15Å; I328-V384 HydrophobicContact CG1-CG2 4.37Å; I328-V384 HydrophobicContact CG2-CB 4.48Å; I328-F386 HydrophobicContact CG2-CD2 3.66Å; I328-F386 HydrophobicContact CG2-CE2 3.59Å; I328-I394 HydrophobicContact CG2-CD1 4.37Å; I328-F400 HydrophobicContact CD1-CE2 4.29Å; I328-F400 HydrophobicContact CG2-CD2 4.07Å; I328-F400 HydrophobicContact CG2-CE2 4.11Å; I328-F403 HydrophobicContact CD1-CD1 4.19Å; I328-F403 HydrophobicContact CD1-CE1 3.56Å; I328-F403 HydrophobicContact CD1-CZ 4.36Å; I328-F403 HydrophobicContact CG1-CE1 4.21Å
329	Y	98.1	Very high	96.8	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	155	-177.2	57.6	-100	0	0	0	112.8	L369 K373 V383 V384 E385 F386	Y329-L369 HydrophobicContact CD2-CD1 3.79Å; Y329-L369 HydrophobicContact CE2-CD1 3.55Å; Y329-K373 HydrophobicContact CE1-CG 4.06Å; Y329-K373 HydrophobicContact CE2-CD 4.36Å; Y329-K373 HydrophobicContact CE2-CG 3.95Å; Y329-K373 WeakPolarHBondContact OH-CG 3.47Å; Y329-V383 HydrophobicContact CE1-CG1 3.8Å; Y329-V384 PolarHBondContact N-O 2.92Å; Y329-V384 VanDerWaalsContact N-O 3.14Å; Y329-E385 HydrophobicContact CD2-CG 4.13Å; Y329-E385 HydrophobicContact CE2-CB 3.83Å; Y329-E385 VanDerWaalsContact CE2-CD 3.44Å; Y329-E385 HydrophobicContact CE2-CG 3.45Å; Y329-E385 VanDerWaalsContact CE2-CG 3.45Å; Y329-E385 WeakPolarHBondContact CE2-OE2 3.42Å; Y329-E385 PolarHBondContact OH-OE2 2.79Å; Y329-F386 PolarHBondContact O-N 2.87Å
330	G	97.8	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	156.4	169.4	0	0	0	0	0	112.8	F386	G330-F386 WeakPolarHBondContact CA-O 3.03Å
331	S	98	Very high	96.7	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	169.7	173.7	63.4	0	0	0	0	110.9	G363 E385 T388	S331-G363 CarbonylContact C-O 3.58Å; S331-G363 VanDerWaalsContact CA-O 3.28Å; S331-G363 WeakPolarHBondContact CA-O 3.29Å; S331-E385 VanDerWaalsContact CB-OE1 3.3Å; S331-E385 WeakPolarHBondContact CB-OE1 3.11Å; S331-E385 WeakPolarHBondContact OG-CG 3.1Å; S331-E385 PolarHBondContact OG-OE1 3.34Å; S331-T388 WeakPolarHBondContact O-CA 3.23Å; S331-T388 PolarHBondContact O-N 3.35Å
332	G	97.8	Very high	96.5	Very high	49 Å²	49	29.8 Å²	29.8	51%	0.505	16%	0.163	S	C	.	.	S	Bend	trans	82.6	12.5	177.2	0	0	0	0	0	115.1	D362 G363	G332-D362 WeakPolarHBondContact CA-OD1 3.46Å; G332-D362 PolarHBondContact N-OD1 3.07Å; G332-G363 PolarHBondContact N-O 3Å
333	L	97.9	Very high	96.4	Very high	43 Å²	43	33.4 Å²	33.4	23%	0.225	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-116.8	144	-179.3	-61.6	176.9	0	0	0	112.6	T335 G363 S389 E390	L333-T335 PolarHBondContact O-N 3.03Å; L333-T335 PolarHBondContact O-OG1 3.17Å; L333-G363 WeakPolarHBondContact CB-O 3.37Å; L333-G363 PolarHBondContact N-O 2.97Å; L333-G363 PolarHBondContact O-N 3.49Å; L333-S389 VanDerWaalsContact CD1-C 3.5Å; L333-S389 VanDerWaalsContact CD1-O 3.31Å; L333-S389 WeakPolarHBondContact CD1-O 3.49Å; L333-E390 VanDerWaalsContact CD1-CA 3.46Å; L333-E390 HydrophobicContact CD1-CB 4.04Å; L333-E390 HydrophobicContact CD1-CG 3.54Å
334	L	97.8	Very high	96.2	Very high	129 Å²	129	33.1 Å²	33.1	68%	0.675	19%	0.186	S	C	*	.			trans	-59.7	105.7	179.9	-63.9	-179.4	0	0	0	110.7	Y360	L334-Y360 HydrophobicContact CB-CD1 3.89Å; L334-Y360 HydrophobicContact CB-CG 3.9Å; L334-Y360 HydrophobicContact CD2-CG 4.48Å
335	T	97.2	Very high	95.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.8	-175.3	-55.1	0	0	0	0	109.8	L333 E337 Y360 G361 G363 D364 G365	L333-T335 PolarHBondContact O-N 3.03Å; L333-T335 PolarHBondContact O-OG1 3.17Å; T335-E337 PolarHBondContact O-N 2.9Å; T335-E337 VanDerWaalsContact O-N 3.13Å; T335-Y360 CarbonylContact O-C 3.58Å; T335-Y360 VanDerWaalsContact O-CA 3.23Å; T335-Y360 WeakPolarHBondContact O-CA 3.36Å; T335-G361 PolarHBondContact N-O 3.29Å; T335-G361 PolarHBondContact O-N 2.84Å; T335-G363 VanDerWaalsContact OG1-C 3.25Å; T335-G363 WeakPolarHBondContact OG1-CA 3.18Å; T335-G363 PolarHBondContact OG1-N 3.04Å; T335-D364 PolarHBondContact OG1-N 2.84Å; T335-G365 WeakPolarHBondContact OG1-CA 3.5Å; T335-G365 PolarHBondContact OG1-N 3.5Å
336	V	96.2	Very high	95.5	Very high	10 Å²	10	43.7 Å²	43.7	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	118.7	-177.4	-179.5	0	0	0	0	110	V230 Q231 I339 I358 N368	V230-V336 HydrophobicContact CB-CG1 4.32Å; V230-V336 WeakPolarHBondContact CB-O 3.17Å; V230-V336 HydrophobicContact CG1-CG1 4.05Å; Q231-V336 HydrophobicContact CB-CB 4.27Å; Q231-V336 HydrophobicContact CB-CG2 4.19Å; Q231-V336 HydrophobicContact CG-CG2 4.34Å; V336-I339 HydrophobicContact CG1-CG1 3.99Å; V336-I358 HydrophobicContact CB-CG2 4.35Å; V336-I358 HydrophobicContact CG1-CD1 4.28Å; V336-I358 HydrophobicContact CG1-CG2 4.1Å; V336-I358 HydrophobicContact CG2-CG2 4.16Å; V336-N368 PolarHBondContact O-ND2 2.92Å
337	E	97	Very high	94.9	Very high	39 Å²	39	51.7 Å²	51.7	18%	0.182	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-34.6	-179.6	-170.6	73.6	-169.5	0	0	111.8	T335 I359 N368 R370	T335-E337 PolarHBondContact O-N 2.9Å; T335-E337 VanDerWaalsContact O-N 3.13Å; E337-I359 PolarHBondContact N-O 2.67Å; E337-N368 PolarHBondContact OE2-ND2 3.23Å; E337-R370 IonicContact OE1-CZ 2.96Å; E337-R370 IonicContact OE1-NE 2.69Å; E337-R370 PolarHBondContact OE1-NE 3.34Å; E337-R370 IonicContact OE1-NH2 2.83Å; E337-R370 PolarHBondContact OE1-NH2 2.86Å
338	Q	97.5	Very high	94.2	Very high	44 Å²	44	53.5 Å²	53.5	21%	0.206	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	143.4	172.9	-170.8	-176.9	85.5	0	0	111.4	I276 L277 V279 I340 I359	I276-Q338 PolarHBondContact O-NE2 3.4Å; L277-Q338 WeakPolarHBondContact O-CA 3.47Å; L277-Q338 WeakPolarHBondContact O-CG 3.33Å; V279-Q338 HydrophobicContact CG2-CG 4.46Å; Q338-I340 HydrophobicContact CG-CG1 4.43Å; Q338-I359 HydrophobicContact CB-CB 4.14Å; Q338-I359 PolarHBondContact N-O 2.97Å; Q338-I359 PolarHBondContact O-N 2.95Å
339	I	95.4	Very high	93.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123	-177.8	-53.8	165.8	0	0	0	108.9	V230 L233 M234 L277 I278 V279 V336 Y341 P356 I358	V230-I339 HydrophobicContact CG1-CD1 4.16Å; V230-I339 HydrophobicContact CG1-CG1 4.25Å; L233-I339 HydrophobicContact CB-CD1 3.84Å; M234-I339 HydrophobicContact CB-CD1 3.79Å; L277-I339 PolarHBondContact O-N 2.87Å; I278-I339 CarbonylContact C-O 3.54Å; I278-I339 WeakPolarHBondContact CA-O 3.29Å; I278-I339 HydrophobicContact CG1-CB 4.45Å; I278-I339 HydrophobicContact CG1-CD1 4.4Å; V279-I339 PolarHBondContact N-O 3.11Å; V336-I339 HydrophobicContact CG1-CG1 3.99Å; I339-Y341 HydrophobicContact CB-CE2 4.43Å; I339-Y341 HydrophobicContact CG2-CD2 4.19Å; I339-Y341 HydrophobicContact CG2-CE1 4.46Å; I339-Y341 HydrophobicContact CG2-CE2 3.45Å; I339-Y341 VanDerWaalsContact CG2-CE2 3.45Å; I339-P356 HydrophobicContact CG2-CB 3.42Å; I339-P356 VanDerWaalsContact CG2-CB 3.42Å; I339-P356 HydrophobicContact CG2-CG 3.6Å; I339-I358 HydrophobicContact CB-CD1 4.41Å; I339-I358 HydrophobicContact CG1-CD1 4.15Å; I339-I358 HydrophobicContact CG2-CD1 4.2Å
340	I	95.4	Very high	93.1	Very high	33 Å²	33	58.8 Å²	58.8	17%	0.169	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.5	-174.7	-54.2	177.9	0	0	0	110.5	V279 Q338 P356 R357 I359	V279-I340 HydrophobicContact CB-CB 4.4Å; V279-I340 HydrophobicContact CB-CG1 4.16Å; V279-I340 HydrophobicContact CB-CG2 4.16Å; V279-I340 HydrophobicContact CG1-CG2 4.11Å; V279-I340 HydrophobicContact CG2-CG1 4.37Å; Q338-I340 HydrophobicContact CG-CG1 4.43Å; I340-P356 WeakPolarHBondContact O-CA 3.42Å; I340-R357 HydrophobicContact CB-CB 4.26Å; I340-R357 WeakPolarHBondContact CB-O 3.24Å; I340-R357 PolarHBondContact N-O 3.1Å; I340-R357 PolarHBondContact O-N 3.17Å; I340-I359 HydrophobicContact CD1-CD1 3.78Å; I340-I359 HydrophobicContact CD1-CG1 3.88Å
341	Y	93.5	Very high	92.7	Very high	5 Å²	5	60.4 Å²	60.4	2%	0.02	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-93	135.3	174.1	-63.2	-78.5	0	0	0	111	T237 S238 I278 V279 T280 I339 F351 Q354 P356	T237-Y341 WeakPolarHBondContact CB-OH 3.41Å; T237-Y341 PolarHBondContact OG1-OH 2.87Å; S238-Y341 PolarHBondContact OG-OH 2.86Å; I278-Y341 HydrophobicContact CG2-CD2 3.7Å; I278-Y341 HydrophobicContact CG2-CE2 3.62Å; V279-Y341 PolarHBondContact O-N 3.45Å; T280-Y341 HydrophobicContact CG2-CD2 3.89Å; T280-Y341 HydrophobicContact CG2-CG 4.38Å; I339-Y341 HydrophobicContact CB-CE2 4.43Å; I339-Y341 HydrophobicContact CG2-CD2 4.19Å; I339-Y341 HydrophobicContact CG2-CE1 4.46Å; I339-Y341 HydrophobicContact CG2-CE2 3.45Å; I339-Y341 VanDerWaalsContact CG2-CE2 3.45Å; Y341-F351 AromaticContact CD1-CD2 3.97Å; Y341-F351 HydrophobicContact CD1-CD2 3.97Å; Y341-F351 AromaticContact CD2-CD2 3.45Å; Y341-F351 HydrophobicContact CD2-CD2 3.45Å; Y341-F351 VanDerWaalsContact CD2-CD2 3.45Å; Y341-F351 AromaticContact CD2-CE2 3.83Å; Y341-F351 HydrophobicContact CD2-CE2 3.83Å; Y341-F351 HydrophobicContact CE1-CD2 4.08Å; Y341-F351 AromaticContact CE2-CD2 3.56Å; Y341-F351 HydrophobicContact CE2-CD2 3.56Å; Y341-F351 AromaticContact CE2-CE2 3.55Å; Y341-F351 HydrophobicContact CE2-CE2 3.55Å; Y341-F351 HydrophobicContact CG-CB 4.44Å; Y341-F351 AromaticContact CG-CD2 3.65Å; Y341-F351 HydrophobicContact CG-CD2 3.65Å; Y341-F351 HydrophobicContact CG-CE2 4.45Å; Y341-F351 HydrophobicContact CG-CG 4.49Å; Y341-F351 AromaticContact CZ-CD2 3.89Å; Y341-F351 AromaticContact CZ-CE2 4Å; Y341-Q354 HydrophobicContact CD1-CG 3.56Å; Y341-Q354 HydrophobicContact CE1-CG 4.24Å; Y341-Q354 WeakPolarHBondContact CE1-O 3.41Å; Y341-P356 HydrophobicContact CD1-CB 3.93Å; Y341-P356 HydrophobicContact CE1-CB 3.69Å; Y341-P356 HydrophobicContact CE1-CG 4.07Å; Y341-P356 HydrophobicContact CG-CB 4.46Å
342	K	91.7	Very high	92.2	Very high	130 Å²	130	60.9 Å²	60.9	57%	0.565	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-87.8	163.7	-180	-64.6	-178.1	-178	176.5	0	111.5	P281 Q354	P281-K342 VanDerWaalsContact CG-C 3.45Å; P281-K342 WeakPolarHBondContact CG-O 3.45Å; K342-Q354 PolarHBondContact O-NE2 2.85Å; K342-Q354 PolarHBondContact O-OE1 2.73Å
343	S	93.2	Very high	91.6	Very high	83 Å²	83	62.1 Å²	62.1	58%	0.58	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-56.5	137	168.4	-55.7	0	0	0	0	110.4	P281	P281-S343 VanDerWaalsContact CG-CA 3.45Å
344	P	90.5	Very high	90.8	Very high	64 Å²	64	60.5 Å²	60.5	42%	0.416	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-59.8	144.9	174.6	25.2	-32.9	0	0	0	110.3	V348 A350	P344-V348 CarbonylContact C-O 3.56Å; P344-V348 VanDerWaalsContact CA-O 3.25Å; P344-V348 WeakPolarHBondContact CA-O 3.15Å; P344-A350 HydrophobicContact CB-CB 4.16Å; P344-A350 HydrophobicContact CG-CB 4.42Å
345	S	90	Very high	90.2	Very high	69 Å²	69	58.2 Å²	58.2	48%	0.483	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-148.1	177.9	176.4	70.2	0	0	0	0	109.4	F347 V348	S345-F347 PolarHBondContact O-N 3.23Å; S345-F347 PolarHBondContact OG-N 3.29Å; S345-V348 PolarHBondContact N-O 3.18Å; S345-V348 CarbonylContact O-C 3.59Å; S345-V348 PolarHBondContact O-N 2.85Å; S345-V348 WeakPolarHBondContact OG-CB 3.42Å; S345-V348 PolarHBondContact OG-N 2.89Å
346	F	88.2	Confident	89.8	Confident	193 Å²	193	59.4 Å²	59.4	85%	0.846	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.9	177.8	-171.2	-95.9	0	0	0	113.9
347	F	84.2	Confident	89.5	Confident	184 Å²	184	66.6 Å²	66.6	81%	0.807	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	2.6	179.6	-55.4	-73.8	0	0	0	114.2	S345	S345-F347 PolarHBondContact O-N 3.23Å; S345-F347 PolarHBondContact OG-N 3.29Å
348	V	83	Confident	89.4	Confident	41 Å²	41	66.2 Å²	66.2	25%	0.248	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-137.9	113.8	-174.6	-177.6	0	0	0	0	109.5	P344 S345 Q354	P344-V348 CarbonylContact C-O 3.56Å; P344-V348 VanDerWaalsContact CA-O 3.25Å; P344-V348 WeakPolarHBondContact CA-O 3.15Å; S345-V348 PolarHBondContact N-O 3.18Å; S345-V348 CarbonylContact O-C 3.59Å; S345-V348 PolarHBondContact O-N 2.85Å; S345-V348 WeakPolarHBondContact OG-CB 3.42Å; S345-V348 PolarHBondContact OG-N 2.89Å; V348-Q354 HydrophobicContact CG1-CB 4.05Å; V348-Q354 HydrophobicContact CG1-CG 4.41Å
349	S	85.1	Confident	89.4	Confident	68 Å²	68	67.6 Å²	67.6	48%	0.476	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-60.5	159	176.9	-51.8	0	0	0	0	112.5	N353 Q354	S349-N353 WeakPolarHBondContact CB-O 3.41Å; S349-Q354 WeakPolarHBondContact O-CB 3.41Å; S349-Q354 PolarHBondContact O-NE2 2.71Å
350	A	88	Confident	89.5	Confident	48 Å²	48	73.4 Å²	73.4	40%	0.397	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-66.9	153.5	169.1	0	0	0	0	0	111.2	P344 N353	P344-A350 HydrophobicContact CB-CB 4.16Å; P344-A350 HydrophobicContact CG-CB 4.42Å; A350-N353 WeakPolarHBondContact O-CA 3.48Å; A350-N353 PolarHBondContact O-N 3.2Å
351	F	89.5	Confident	89.6	Confident	34 Å²	34	73 Å²	73	15%	0.149	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	139.3	163	171.5	-94.1	0	0	0	109.8	T237 T280 Y293 D296 S297 Y341	T237-F351 HydrophobicContact CG2-CE2 3.89Å; T237-F351 HydrophobicContact CG2-CZ 4.12Å; T280-F351 HydrophobicContact CG2-CB 4.38Å; T280-F351 HydrophobicContact CG2-CD1 4.29Å; T280-F351 HydrophobicContact CG2-CD2 3.82Å; T280-F351 HydrophobicContact CG2-CE2 4.15Å; T280-F351 HydrophobicContact CG2-CG 3.9Å; Y293-F351 HydrophobicContact CD2-CZ 4.11Å; Y293-F351 HydrophobicContact CE2-CE2 4.36Å; Y293-F351 AromaticContact CE2-CZ 3.9Å; Y293-F351 HydrophobicContact CE2-CZ 3.9Å; D296-F351 HydrophobicContact CB-CE1 4.31Å; S297-F351 VanDerWaalsContact OG-CZ 3.32Å; S297-F351 WeakPolarHBondContact OG-CZ 3.32Å; Y341-F351 AromaticContact CD1-CD2 3.97Å; Y341-F351 HydrophobicContact CD1-CD2 3.97Å; Y341-F351 AromaticContact CD2-CD2 3.45Å; Y341-F351 HydrophobicContact CD2-CD2 3.45Å; Y341-F351 VanDerWaalsContact CD2-CD2 3.45Å; Y341-F351 AromaticContact CD2-CE2 3.83Å; Y341-F351 HydrophobicContact CD2-CE2 3.83Å; Y341-F351 HydrophobicContact CE1-CD2 4.08Å; Y341-F351 AromaticContact CE2-CD2 3.56Å; Y341-F351 HydrophobicContact CE2-CD2 3.56Å; Y341-F351 AromaticContact CE2-CE2 3.55Å; Y341-F351 HydrophobicContact CE2-CE2 3.55Å; Y341-F351 HydrophobicContact CG-CB 4.44Å; Y341-F351 AromaticContact CG-CD2 3.65Å; Y341-F351 HydrophobicContact CG-CD2 3.65Å; Y341-F351 HydrophobicContact CG-CE2 4.45Å; Y341-F351 HydrophobicContact CG-CG 4.49Å; Y341-F351 AromaticContact CZ-CD2 3.89Å; Y341-F351 AromaticContact CZ-CE2 4Å
352	P	87.8	Confident	89.8	Confident	12 Å²	12	76.3 Å²	76.3	8%	0.078	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	cis	-86.6	3	1.3	35.4	-37.6	0	0	0	115.3	T237 Q354	T237-P352 CarbonylContact C-O 3.51Å; T237-P352 HydrophobicContact CG2-CB 3.73Å; P352-Q354 PolarHBondContact O-N 3.36Å
353	N	83.9	Confident	90.1	Very high	75 Å²	75	70.1 Å²	70.1	40%	0.401	38%	0.377	S	S	.	.	S	Bend	trans	-86.3	17.7	-164	-55.2	-66.3	0	0	0	116.1	R252 S349 A350	R252-N353 PolarHBondContact NH1-OD1 3.11Å; S349-N353 WeakPolarHBondContact CB-O 3.41Å; A350-N353 WeakPolarHBondContact O-CA 3.48Å; A350-N353 PolarHBondContact O-N 3.2Å
354	Q	82.9	Confident	90.3	Very high	10 Å²	10	66.2 Å²	66.2	5%	0.047	35%	0.35	C	S	.	.	S	Bend	trans	-120.6	153.7	-178.3	70.8	177.6	-98.8	0	0	111.4	S238 Y341 K342 V348 S349 P352	S238-Q354 WeakPolarHBondContact CB-O 3.44Å; Y341-Q354 HydrophobicContact CD1-CG 3.56Å; Y341-Q354 HydrophobicContact CE1-CG 4.24Å; Y341-Q354 WeakPolarHBondContact CE1-O 3.41Å; K342-Q354 PolarHBondContact O-NE2 2.85Å; K342-Q354 PolarHBondContact O-OE1 2.73Å; V348-Q354 HydrophobicContact CG1-CB 4.05Å; V348-Q354 HydrophobicContact CG1-CG 4.41Å; S349-Q354 WeakPolarHBondContact O-CB 3.41Å; S349-Q354 PolarHBondContact O-NE2 2.71Å; P352-Q354 PolarHBondContact O-N 3.36Å
355	S	83.2	Confident	90.6	Very high	80 Å²	80	64.7 Å²	64.7	56%	0.559	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-70.3	125.4	168.3	-52.5	0	0	0	0	110.8
356	P	89.1	Confident	90.9	Very high	25 Å²	25	63.6 Å²	63.6	16%	0.162	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-80.4	164.8	-177.9	31.7	-35.1	0	0	0	112.5	M234 S238 I339 I340 Y341 I358	M234-P356 HydrophobicContact CG-CG 4.31Å; M234-P356 HydrophobicContact SD-CG 3.96Å; S238-P356 VanDerWaalsContact OG-CD 3.27Å; S238-P356 WeakPolarHBondContact OG-CD 3.39Å; I339-P356 HydrophobicContact CG2-CB 3.42Å; I339-P356 VanDerWaalsContact CG2-CB 3.42Å; I339-P356 HydrophobicContact CG2-CG 3.6Å; I340-P356 WeakPolarHBondContact O-CA 3.42Å; Y341-P356 HydrophobicContact CD1-CB 3.93Å; Y341-P356 HydrophobicContact CE1-CB 3.69Å; Y341-P356 HydrophobicContact CE1-CG 4.07Å; Y341-P356 HydrophobicContact CG-CB 4.46Å; P356-I358 HydrophobicContact CB-CD1 4.35Å; P356-I358 HydrophobicContact CG-CD1 3.88Å
357	R	91.5	Very high	91.4	Very high	161 Å²	161	54.4 Å²	54.4	61%	0.608	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	137.5	156	171.6	-177.4	177	-173.5	-0.1	108.5	I340	I340-R357 HydrophobicContact CB-CB 4.26Å; I340-R357 WeakPolarHBondContact CB-O 3.24Å; I340-R357 PolarHBondContact N-O 3.1Å; I340-R357 PolarHBondContact O-N 3.17Å
358	I	93.5	Very high	92	Very high	31 Å²	31	45.7 Å²	45.7	16%	0.159	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.4	176.7	-58	-53.9	0	0	0	110.9	M234 V336 I339 P356 Y360	M234-I358 HydrophobicContact SD-CD1 3.71Å; M234-I358 HydrophobicContact SD-CG1 4.4Å; V336-I358 HydrophobicContact CB-CG2 4.35Å; V336-I358 HydrophobicContact CG1-CD1 4.28Å; V336-I358 HydrophobicContact CG1-CG2 4.1Å; V336-I358 HydrophobicContact CG2-CG2 4.16Å; I339-I358 HydrophobicContact CB-CD1 4.41Å; I339-I358 HydrophobicContact CG1-CD1 4.15Å; I339-I358 HydrophobicContact CG2-CD1 4.2Å; P356-I358 HydrophobicContact CB-CD1 4.35Å; P356-I358 HydrophobicContact CG-CD1 3.88Å; I358-Y360 HydrophobicContact CB-CE1 4.33Å; I358-Y360 HydrophobicContact CB-CE2 4.14Å; I358-Y360 HydrophobicContact CG2-CD1 3.81Å; I358-Y360 HydrophobicContact CG2-CD2 4.2Å; I358-Y360 HydrophobicContact CG2-CE1 3.55Å; I358-Y360 HydrophobicContact CG2-CE2 3.96Å; I358-Y360 HydrophobicContact CG2-CG 4.12Å
359	I	97.2	Very high	92.7	Very high	73 Å²	73	44.8 Å²	44.8	37%	0.374	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.7	155.7	-59.7	-174.8	0	0	0	107.3	E337 Q338 I340	E337-I359 PolarHBondContact N-O 2.67Å; Q338-I359 HydrophobicContact CB-CB 4.14Å; Q338-I359 PolarHBondContact N-O 2.97Å; Q338-I359 PolarHBondContact O-N 2.95Å; I340-I359 HydrophobicContact CD1-CD1 3.78Å; I340-I359 HydrophobicContact CD1-CG1 3.88Å
360	Y	97.9	Very high	93.3	Very high	123 Å²	123	45.8 Å²	45.8	48%	0.482	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.5	179.1	-60.9	-81	0	0	0	111	L334 T335 I358	L334-Y360 HydrophobicContact CB-CD1 3.89Å; L334-Y360 HydrophobicContact CB-CG 3.9Å; L334-Y360 HydrophobicContact CD2-CG 4.48Å; T335-Y360 CarbonylContact O-C 3.58Å; T335-Y360 VanDerWaalsContact O-CA 3.23Å; T335-Y360 WeakPolarHBondContact O-CA 3.36Å; I358-Y360 HydrophobicContact CB-CE1 4.33Å; I358-Y360 HydrophobicContact CB-CE2 4.14Å; I358-Y360 HydrophobicContact CG2-CD1 3.81Å; I358-Y360 HydrophobicContact CG2-CD2 4.2Å; I358-Y360 HydrophobicContact CG2-CE1 3.55Å; I358-Y360 HydrophobicContact CG2-CE2 3.96Å; I358-Y360 HydrophobicContact CG2-CG 4.12Å
361	G	97.7	Very high	93.8	Very high	25 Å²	25	43.5 Å²	43.5	26%	0.258	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-160.7	167.1	0	0	0	0	0	110.3	T335	T335-G361 PolarHBondContact N-O 3.29Å; T335-G361 PolarHBondContact O-N 2.84Å
362	D	98.2	Very high	94.2	Very high	74 Å²	74	42 Å²	42	40%	0.396	22%	0.22	S	C	.	.	S	Bend	trans	-91.1	148.1	-177.6	-164.4	-2.4	0	0	0	112.1	G332 L369	G332-D362 WeakPolarHBondContact CA-OD1 3.46Å; G332-D362 PolarHBondContact N-OD1 3.07Å; D362-L369 HydrophobicContact CB-CB 4.21Å; D362-L369 HydrophobicContact CB-CD2 4.3Å; D362-L369 WeakPolarHBondContact O-CB 3.07Å; D362-L369 PolarHBondContact O-N 3.28Å; D362-L369 WeakPolarHBondContact OD2-CD2 3.33Å
363	G	98.2	Very high	94.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	163.2	-158.8	-177.9	0	0	0	0	0	111.9	S331 G332 L333 T335 V367	S331-G363 CarbonylContact C-O 3.58Å; S331-G363 VanDerWaalsContact CA-O 3.28Å; S331-G363 WeakPolarHBondContact CA-O 3.29Å; G332-G363 PolarHBondContact N-O 3Å; L333-G363 WeakPolarHBondContact CB-O 3.37Å; L333-G363 PolarHBondContact N-O 2.97Å; L333-G363 PolarHBondContact O-N 3.49Å; T335-G363 VanDerWaalsContact OG1-C 3.25Å; T335-G363 WeakPolarHBondContact OG1-CA 3.18Å; T335-G363 PolarHBondContact OG1-N 3.04Å; G363-V367 VanDerWaalsContact CA-O 3.26Å; G363-V367 WeakPolarHBondContact CA-O 3.47Å
364	D	97.6	Very high	95.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-100.4	13.1	179.4	64.9	15.3	0	0	0	113.6	T335 T366 V367 E390 H391	T335-D364 PolarHBondContact OG1-N 2.84Å; D364-T366 PolarHBondContact OD1-N 3.49Å; D364-V367 PolarHBondContact N-O 2.99Å; D364-V367 PolarHBondContact OD1-N 3.14Å; D364-E390 CarbonylContact O-C 3.33Å; D364-E390 WeakPolarHBondContact O-CA 3.25Å; D364-H391 HydrophobicContact CB-CB 4.3Å; D364-H391 VanDerWaalsContact CG-ND1 3.3Å; D364-H391 PolarHBondContact O-N 3.15Å; D364-H391 WeakPolarHBondContact OD1-CB 3.38Å; D364-H391 IonicContact OD1-CG 2.63Å; D364-H391 IonicContact OD1-ND1 2.57Å; D364-H391 PolarHBondContact OD1-ND1 3.23Å; D364-H391 IonicContact OD2-CE1 3.93Å; D364-H391 IonicContact OD2-CG 3.55Å; D364-H391 IonicContact OD2-ND1 2.72Å; D364-H391 PolarHBondContact OD2-ND1 3.4Å
365	G	96.2	Very high	95.7	Very high	32 Å²	32	41.5 Å²	41.5	33%	0.33	21%	0.213	S	C	.	.	S	Bend	trans	90.6	-10.9	-173.4	0	0	0	0	0	114.2	T335	T335-G365 WeakPolarHBondContact OG1-CA 3.5Å; T335-G365 PolarHBondContact OG1-N 3.5Å
366	T	95.9	Very high	96.2	Very high	45 Å²	45	40.8 Å²	40.8	28%	0.276	21%	0.206	S	C	.	.	S	Bend	trans	-130.7	-42.5	174	-62	0	0	0	0	112.5	T229 D364	T229-T366 WeakPolarHBondContact CB-O 3.45Å; T229-T366 PolarHBondContact OG1-O 3.15Å; D364-T366 PolarHBondContact OD1-N 3.49Å
367	V	97.9	Very high	96.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.232	C	C	.	.	S	Bend	trans	-110.5	121.3	-174.8	-179.1	0	0	0	0	109.9	P225 G363 D364 L369 S372 H391	P225-V367 HydrophobicContact CB-CG1 4.07Å; P225-V367 HydrophobicContact CB-CG2 3.9Å; G363-V367 VanDerWaalsContact CA-O 3.26Å; G363-V367 WeakPolarHBondContact CA-O 3.47Å; D364-V367 PolarHBondContact N-O 2.99Å; D364-V367 PolarHBondContact OD1-N 3.14Å; V367-L369 PolarHBondContact O-N 3.36Å; V367-S372 WeakPolarHBondContact CG1-OG 3.46Å; V367-H391 VanDerWaalsContact CG2-CE1 3.45Å; V367-H391 WeakPolarHBondContact CG2-CE1 3.27Å
368	N	98.3	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-56.4	134.6	178.2	-52.4	80.1	0	0	0	110	V230 W271 V336 E337 R370 S371 S372	V230-N368 PolarHBondContact N-OD1 3.3Å; V230-N368 VanDerWaalsContact N-OD1 3.1Å; W271-N368 HydrophobicContact CZ2-CB 4.21Å; V336-N368 PolarHBondContact O-ND2 2.92Å; E337-N368 PolarHBondContact OE2-ND2 3.23Å; N368-R370 HydrophobicContact CB-CG 3.91Å; N368-R370 PolarHBondContact O-N 2.92Å; N368-S371 WeakPolarHBondContact O-CA 3.39Å; N368-S371 WeakPolarHBondContact O-CB 3.47Å; N368-S371 PolarHBondContact O-N 3.23Å; N368-S372 PolarHBondContact O-N 2.71Å
369	L	98.1	Very high	96.3	Very high	23 Å²	23	45.1 Å²	45.1	12%	0.12	24%	0.238	C	C	.	.	H	α-helix	trans	-53.1	-38.4	-175.1	-179	60.4	0	0	0	112.7	Y329 D362 V367 S371 S372 K373	Y329-L369 HydrophobicContact CD2-CD1 3.79Å; Y329-L369 HydrophobicContact CE2-CD1 3.55Å; D362-L369 HydrophobicContact CB-CB 4.21Å; D362-L369 HydrophobicContact CB-CD2 4.3Å; D362-L369 WeakPolarHBondContact O-CB 3.07Å; D362-L369 PolarHBondContact O-N 3.28Å; D362-L369 WeakPolarHBondContact OD2-CD2 3.33Å; V367-L369 PolarHBondContact O-N 3.36Å; L369-S371 PolarHBondContact O-N 3.4Å; L369-S372 PolarHBondContact O-N 2.74Å; L369-K373 HydrophobicContact CD1-CD 3.69Å; L369-K373 HydrophobicContact CD1-CG 3.95Å; L369-K373 HydrophobicContact CD2-CD 4.1Å; L369-K373 HydrophobicContact CG-CD 3.6Å; L369-K373 HydrophobicContact CG-CG 4.2Å; L369-K373 WeakPolarHBondContact O-CB 3.38Å; L369-K373 VanDerWaalsContact O-CG 3.3Å; L369-K373 WeakPolarHBondContact O-CG 3.5Å; L369-K373 PolarHBondContact O-N 2.7Å
370	R	97.4	Very high	95.8	Very high	89 Å²	89	45.6 Å²	45.6	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-56.8	-32.2	175.5	60.3	169	82.7	-155.6	16.9	114	W271 E275 E337 N368	W271-R370 HydrophobicContact CH2-CG 4.42Å; W271-R370 HydrophobicContact CZ2-CG 4.08Å; E275-R370 IonicContact OE1-NH1 2.87Å; E275-R370 IonicContact OE2-CZ 2.64Å; E275-R370 VanDerWaalsContact OE2-CZ 3.23Å; E275-R370 IonicContact OE2-NH1 3.78Å; E275-R370 PolarHBondContact OE2-NH1 3.42Å; E275-R370 IonicContact OE2-NH2 2.8Å; E275-R370 PolarHBondContact OE2-NH2 2.98Å; E337-R370 IonicContact OE1-CZ 2.96Å; E337-R370 IonicContact OE1-NE 2.69Å; E337-R370 PolarHBondContact OE1-NE 3.34Å; E337-R370 IonicContact OE1-NH2 2.83Å; E337-R370 PolarHBondContact OE1-NH2 2.86Å; N368-R370 HydrophobicContact CB-CG 3.91Å; N368-R370 PolarHBondContact O-N 2.92Å
371	S	98.2	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-75.9	-50.3	179.2	-175.2	0	0	0	0	110.6	G227 G228 N368 L369 K373 V374	G227-S371 VanDerWaalsContact CA-OG 3.3Å; G227-S371 WeakPolarHBondContact CA-OG 3.4Å; G227-S371 PolarHBondContact N-OG 2.75Å; G228-S371 PolarHBondContact N-OG 2.75Å; G228-S371 WeakPolarHBondContact O-CB 3.2Å; G228-S371 PolarHBondContact O-OG 2.87Å; N368-S371 WeakPolarHBondContact O-CA 3.39Å; N368-S371 WeakPolarHBondContact O-CB 3.47Å; N368-S371 PolarHBondContact O-N 3.23Å; L369-S371 PolarHBondContact O-N 3.4Å; S371-K373 PolarHBondContact O-N 2.91Å; S371-V374 WeakPolarHBondContact O-CB 3.37Å; S371-V374 WeakPolarHBondContact O-CG2 3.31Å; S371-V374 PolarHBondContact O-N 3.09Å
372	S	97	Very high	95.5	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-57.7	-39.1	174	-55.9	0	0	0	0	111.7	V367 N368 L369 V374 C375	V367-S372 WeakPolarHBondContact CG1-OG 3.46Å; N368-S372 PolarHBondContact O-N 2.71Å; L369-S372 PolarHBondContact O-N 2.74Å; S372-V374 VanDerWaalsContact C-N 3.26Å; S372-V374 PolarHBondContact O-N 3.25Å; S372-C375 PolarHBondContact O-SG 2.97Å
373	K	96.5	Very high	95.4	Very high	76 Å²	76	43.9 Å²	43.9	33%	0.33	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-75.1	-0.5	-178.3	-71.2	-179	86.3	140.6	0	115.5	Y329 L369 S371 C375 T376 E385	Y329-K373 HydrophobicContact CE1-CG 4.06Å; Y329-K373 HydrophobicContact CE2-CD 4.36Å; Y329-K373 HydrophobicContact CE2-CG 3.95Å; Y329-K373 WeakPolarHBondContact OH-CG 3.47Å; L369-K373 HydrophobicContact CD1-CD 3.69Å; L369-K373 HydrophobicContact CD1-CG 3.95Å; L369-K373 HydrophobicContact CD2-CD 4.1Å; L369-K373 HydrophobicContact CG-CD 3.6Å; L369-K373 HydrophobicContact CG-CG 4.2Å; L369-K373 WeakPolarHBondContact O-CB 3.38Å; L369-K373 VanDerWaalsContact O-CG 3.3Å; L369-K373 WeakPolarHBondContact O-CG 3.5Å; L369-K373 PolarHBondContact O-N 2.7Å; S371-K373 PolarHBondContact O-N 2.91Å; K373-C375 PolarHBondContact O-N 2.74Å; K373-T376 HydrophobicContact CB-CG2 4.12Å; K373-T376 HydrophobicContact CG-CG2 4.3Å; K373-T376 WeakPolarHBondContact O-CB 3.17Å; K373-T376 WeakPolarHBondContact O-CG2 3.46Å; K373-T376 PolarHBondContact O-N 2.92Å; K373-T376 PolarHBondContact O-OG1 2.82Å; K373-E385 IonicContact NZ-OE2 2.68Å; K373-E385 PolarHBondContact NZ-OE2 2.81Å
374	V	96.6	Very high	95.3	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-53.3	-43.7	174.2	166.7	0	0	0	0	111.6	L226 L270 L316 S371 S372 T376 K377	L226-V374 HydrophobicContact CB-CB 3.86Å; L226-V374 HydrophobicContact CB-CG1 4.1Å; L226-V374 HydrophobicContact CB-CG2 4.27Å; L226-V374 HydrophobicContact CD1-CB 4.05Å; L226-V374 HydrophobicContact CD1-CG1 4.37Å; L270-V374 HydrophobicContact CD1-CG2 4.18Å; L270-V374 HydrophobicContact CD2-CG2 3.54Å; L270-V374 HydrophobicContact CG-CG2 4.48Å; L316-V374 HydrophobicContact CB-CG1 4.12Å; L316-V374 HydrophobicContact CD2-CB 4.27Å; L316-V374 HydrophobicContact CD2-CG1 3.64Å; L316-V374 HydrophobicContact CD2-CG2 3.64Å; L316-V374 HydrophobicContact CG-CG1 4.49Å; S371-V374 WeakPolarHBondContact O-CB 3.37Å; S371-V374 WeakPolarHBondContact O-CG2 3.31Å; S371-V374 PolarHBondContact O-N 3.09Å; S372-V374 VanDerWaalsContact C-N 3.26Å; S372-V374 PolarHBondContact O-N 3.25Å; V374-T376 PolarHBondContact O-N 3.33Å; V374-T376 VanDerWaalsContact O-N 3.11Å; V374-K377 PolarHBondContact O-N 2.03Å
375	C	94.4	Very high	95.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-58.6	-22	179.1	61.7	0	0	0	0	114.8	L226 C327 S372 K373 K377 W378 A381	L226-C375 HydrophobicContact CD1-CB 3.66Å; C327-C375 HydrophobicContact CB-CB 3.5Å; C327-C375 VanDerWaalsContact CB-CB 3.5Å; C327-C375 WeakPolarHBondContact CB-SG 3.37Å; C327-C375 WeakPolarHBondContact SG-CB 3.4Å; C327-C375 CovalentContact SG-SG 2Å; C327-C375 PolarHBondContact SG-SG 3.03Å; S372-C375 PolarHBondContact O-SG 2.97Å; K373-C375 PolarHBondContact O-N 2.74Å; C375-K377 PolarHBondContact O-N 2.76Å; C375-K377 VanDerWaalsContact O-N 3.12Å; C375-W378 HydrophobicContact CB-CD2 4.03Å; C375-W378 HydrophobicContact CB-CE3 3.8Å; C375-W378 HydrophobicContact CB-CH2 4.33Å; C375-W378 HydrophobicContact CB-CZ3 3.95Å; C375-W378 VanDerWaalsContact O-CB 3.31Å; C375-W378 WeakPolarHBondContact O-CB 3.44Å; C375-W378 PolarHBondContact O-N 2.98Å; C375-A381 VanDerWaalsContact O-CB 3.27Å; C375-A381 WeakPolarHBondContact O-CB 3.36Å
376	T	93.6	Very high	95.4	Very high	65 Å²	65	47.8 Å²	47.8	40%	0.399	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-65.8	-15	-179.9	66.8	0	0	0	0	112.3	K373 V374 V383	K373-T376 HydrophobicContact CB-CG2 4.12Å; K373-T376 HydrophobicContact CG-CG2 4.3Å; K373-T376 WeakPolarHBondContact O-CB 3.17Å; K373-T376 WeakPolarHBondContact O-CG2 3.46Å; K373-T376 PolarHBondContact O-N 2.92Å; K373-T376 PolarHBondContact O-OG1 2.82Å; V374-T376 PolarHBondContact O-N 3.33Å; V374-T376 VanDerWaalsContact O-N 3.11Å; T376-V383 HydrophobicContact CG2-CG1 4.13Å; T376-V383 HydrophobicContact CG2-CG2 3.81Å
377	K	93.7	Very high	95.4	Very high	165 Å²	165	50.4 Å²	50.4	72%	0.717	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-89.7	-5.8	174.2	-56.3	178.7	-177.4	176.9	0	113.3	V374 C375	V374-K377 PolarHBondContact O-N 2.03Å; C375-K377 PolarHBondContact O-N 2.76Å; C375-K377 VanDerWaalsContact O-N 3.12Å
378	W	94.3	Very high	95.3	Very high	16 Å²	16	54.9 Å²	54.9	6%	0.061	29%	0.288	C	S	.	.	S	Bend	trans	-80.8	130.3	-179.7	-62.3	-12.9	0	0	0	110.5	L201 L226 L316 A318 P319 V325 C375 T380 A381	L201-W378 HydrophobicContact CD2-CH2 4.04Å; L201-W378 HydrophobicContact CD2-CZ2 4.23Å; L226-W378 HydrophobicContact CD1-CH2 3.86Å; L226-W378 HydrophobicContact CD1-CZ2 3.98Å; L226-W378 HydrophobicContact CD2-CH2 3.75Å; L226-W378 HydrophobicContact CD2-CZ2 4.05Å; L226-W378 HydrophobicContact CG-CH2 4.48Å; L316-W378 PolarHBondContact O-NE1 2.97Å; A318-W378 HydrophobicContact CB-CB 3.81Å; A318-W378 HydrophobicContact CB-CD2 3.94Å; A318-W378 HydrophobicContact CB-CG 3.54Å; P319-W378 HydrophobicContact CG-CZ3 4.35Å; V325-W378 HydrophobicContact CG1-CE3 3.98Å; V325-W378 HydrophobicContact CG1-CZ3 3.99Å; C375-W378 HydrophobicContact CB-CD2 4.03Å; C375-W378 HydrophobicContact CB-CE3 3.8Å; C375-W378 HydrophobicContact CB-CH2 4.33Å; C375-W378 HydrophobicContact CB-CZ3 3.95Å; C375-W378 VanDerWaalsContact O-CB 3.31Å; C375-W378 WeakPolarHBondContact O-CB 3.44Å; C375-W378 PolarHBondContact O-N 2.98Å; W378-T380 PolarHBondContact O-N 3.45Å; W378-A381 HydrophobicContact CB-CB 3.92Å; W378-A381 HydrophobicContact CE3-CB 4.41Å; W378-A381 PolarHBondContact O-N 3.43Å
379	P	88.5	Confident	95.3	Very high	128 Å²	128	54.9 Å²	54.9	83%	0.831	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.5	-168.5	-29.3	35.4	0	0	0	117.3
380	T	84.9	Confident	95.2	Very high	83 Å²	83	59.4 Å²	59.4	51%	0.509	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	8.7	-175.7	57.3	0	0	0	0	113.7	W378 K382	W378-T380 PolarHBondContact O-N 3.45Å; T380-K382 PolarHBondContact O-N 3.3Å
381	A	93.2	Very high	95.2	Very high	21 Å²	21	56.1 Å²	56.1	17%	0.174	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	120.7	-177.5	0	0	0	0	0	112.2	V325 C375 W378	V325-A381 WeakPolarHBondContact O-CA 3.44Å; C375-A381 VanDerWaalsContact O-CB 3.27Å; C375-A381 WeakPolarHBondContact O-CB 3.36Å; W378-A381 HydrophobicContact CB-CB 3.92Å; W378-A381 HydrophobicContact CE3-CB 4.41Å; W378-A381 PolarHBondContact O-N 3.43Å
382	K	96.3	Very high	95.1	Very high	98 Å²	98	60.5 Å²	60.5	43%	0.426	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.1	167.6	-65.2	169.7	179.9	177.1	0	108.1	E324 V325 Y326 C327 T380	E324-K382 IonicContact OE2-NZ 2.74Å; E324-K382 PolarHBondContact OE2-NZ 3.36Å; V325-K382 PolarHBondContact O-N 3.4Å; Y326-K382 CarbonylContact C-O 3.58Å; Y326-K382 WeakPolarHBondContact CA-O 3.44Å; Y326-K382 HydrophobicContact CD1-CB 3.59Å; Y326-K382 HydrophobicContact CD1-CD 3.94Å; Y326-K382 HydrophobicContact CD1-CG 4.41Å; Y326-K382 HydrophobicContact CE1-CB 3.75Å; Y326-K382 HydrophobicContact CE1-CD 3.24Å; Y326-K382 HydrophobicContact CE1-CG 4.14Å; Y326-K382 HydrophobicContact CE2-CD 4.29Å; Y326-K382 HydrophobicContact CG-CB 4.41Å; Y326-K382 VanDerWaalsContact CZ-CD 3.43Å; Y326-K382 WeakPolarHBondContact OH-CD 3.03Å; Y326-K382 PolarHBondContact OH-NZ 3.19Å; C327-K382 PolarHBondContact N-O 2.82Å; T380-K382 PolarHBondContact O-N 3.3Å
383	V	96.2	Very high	95	Very high	66 Å²	66	62.1 Å²	62.1	40%	0.4	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.9	-173.3	-177.7	0	0	0	0	110.7	Y329 T376	Y329-V383 HydrophobicContact CE1-CG1 3.8Å; T376-V383 HydrophobicContact CG2-CG1 4.13Å; T376-V383 HydrophobicContact CG2-CG2 3.81Å
384	V	97	Very high	95	Very high	27 Å²	27	58.5 Å²	58.5	16%	0.164	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	104.2	177.4	-172.1	0	0	0	0	108.7	C327 I328 Y329 F386 F403	C327-V384 PolarHBondContact O-N 3.37Å; I328-V384 WeakPolarHBondContact CA-O 3.07Å; I328-V384 HydrophobicContact CG1-CB 4.15Å; I328-V384 HydrophobicContact CG1-CG2 4.37Å; I328-V384 HydrophobicContact CG2-CB 4.48Å; Y329-V384 PolarHBondContact N-O 2.92Å; Y329-V384 VanDerWaalsContact N-O 3.14Å; V384-F386 HydrophobicContact CG1-CD2 4.03Å; V384-F386 HydrophobicContact CG1-CE1 4.21Å; V384-F386 HydrophobicContact CG1-CE2 3.51Å; V384-F386 HydrophobicContact CG1-CZ 3.62Å; V384-F403 HydrophobicContact CG1-CD2 4.43Å; V384-F403 HydrophobicContact CG1-CE2 4.49Å; V384-F403 HydrophobicContact CG2-CD2 4.31Å; V384-F403 HydrophobicContact CG2-CE2 3.58Å; V384-F403 HydrophobicContact CG2-CZ 3.71Å
385	E	97.4	Very high	95.1	Very high	70 Å²	70	58 Å²	58	33%	0.327	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.3	-179.6	-175.2	162.7	156.1	0	0	109.8	Y329 S331 K373 I387	Y329-E385 HydrophobicContact CD2-CG 4.13Å; Y329-E385 HydrophobicContact CE2-CB 3.83Å; Y329-E385 VanDerWaalsContact CE2-CD 3.44Å; Y329-E385 HydrophobicContact CE2-CG 3.45Å; Y329-E385 VanDerWaalsContact CE2-CG 3.45Å; Y329-E385 WeakPolarHBondContact CE2-OE2 3.42Å; Y329-E385 PolarHBondContact OH-OE2 2.79Å; S331-E385 VanDerWaalsContact CB-OE1 3.3Å; S331-E385 WeakPolarHBondContact CB-OE1 3.11Å; S331-E385 WeakPolarHBondContact OG-CG 3.1Å; S331-E385 PolarHBondContact OG-OE1 3.34Å; K373-E385 IonicContact NZ-OE2 2.68Å; K373-E385 PolarHBondContact NZ-OE2 2.81Å; E385-I387 HydrophobicContact CG-CG1 4.34Å; E385-I387 PolarHBondContact O-N 2.87Å
386	F	97.5	Very high	95.2	Very high	18 Å²	18	60.3 Å²	60.3	8%	0.079	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	81.4	177.9	-73.8	-62.1	0	0	0	109.8	I328 Y329 G330 V384 T388 S389 I394 R399 F400 F403	I328-F386 HydrophobicContact CG2-CD2 3.66Å; I328-F386 HydrophobicContact CG2-CE2 3.59Å; Y329-F386 PolarHBondContact O-N 2.87Å; G330-F386 WeakPolarHBondContact CA-O 3.03Å; V384-F386 HydrophobicContact CG1-CD2 4.03Å; V384-F386 HydrophobicContact CG1-CE1 4.21Å; V384-F386 HydrophobicContact CG1-CE2 3.51Å; V384-F386 HydrophobicContact CG1-CZ 3.62Å; F386-T388 PolarHBondContact O-N 3.25Å; F386-S389 WeakPolarHBondContact CB-OG 3.38Å; F386-S389 VanDerWaalsContact O-CB 3.29Å; F386-S389 WeakPolarHBondContact O-CB 2.95Å; F386-S389 PolarHBondContact O-N 2.82Å; F386-I394 HydrophobicContact CB-CD1 4.28Å; F386-I394 HydrophobicContact CD2-CD1 4Å; F386-I394 HydrophobicContact CD2-CG1 4.39Å; F386-R399 HydrophobicContact CD1-CB 4.46Å; F386-R399 VanDerWaalsContact CD1-CD 3.47Å; F386-R399 HydrophobicContact CD1-CG 3.73Å; F386-R399 HydrophobicContact CE1-CB 3.92Å; F386-R399 HydrophobicContact CE1-CG 3.62Å; F386-R399 HydrophobicContact CZ-CG 4.47Å; F386-F400 HydrophobicContact CE2-CB 4.19Å; F386-F400 HydrophobicContact CE2-CD2 4Å; F386-F400 HydrophobicContact CZ-CB 4.35Å; F386-F403 HydrophobicContact CZ-CB 4.19Å
387	I	96.7	Very high	95.4	Very high	100 Å²	100	59.4 Å²	59.4	51%	0.513	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	135.1	177.9	-47.5	176.8	0	0	0	109.6	E385 S389 R399	E385-I387 HydrophobicContact CG-CG1 4.34Å; E385-I387 PolarHBondContact O-N 2.87Å; I387-S389 VanDerWaalsContact C-N 3.31Å; I387-S389 PolarHBondContact O-N 3Å; I387-R399 VanDerWaalsContact O-CZ 3.27Å; I387-R399 PolarHBondContact O-NH1 3.43Å; I387-R399 PolarHBondContact O-NH2 2.96Å
388	T	96.3	Very high	95.5	Very high	96 Å²	96	58.5 Å²	58.5	59%	0.589	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	16.6	-171.6	82.4	0	0	0	0	116.9	S331 F386	S331-T388 WeakPolarHBondContact O-CA 3.23Å; S331-T388 PolarHBondContact O-N 3.35Å; F386-T388 PolarHBondContact O-N 3.25Å
389	S	97.3	Very high	95.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.323	C	S	.	.			trans	-78.6	125.5	166.7	-83.8	0	0	0	0	111.6	L333 F386 I387 E397 R399	L333-S389 VanDerWaalsContact CD1-C 3.5Å; L333-S389 VanDerWaalsContact CD1-O 3.31Å; L333-S389 WeakPolarHBondContact CD1-O 3.49Å; F386-S389 WeakPolarHBondContact CB-OG 3.38Å; F386-S389 VanDerWaalsContact O-CB 3.29Å; F386-S389 WeakPolarHBondContact O-CB 2.95Å; F386-S389 PolarHBondContact O-N 2.82Å; I387-S389 VanDerWaalsContact C-N 3.31Å; I387-S389 PolarHBondContact O-N 3Å; S389-E397 WeakPolarHBondContact CA-OE1 3.15Å; S389-E397 VanDerWaalsContact CB-OE1 3.26Å; S389-E397 WeakPolarHBondContact CB-OE1 3.43Å; S389-E397 PolarHBondContact OG-OE1 3.18Å; S389-E397 PolarHBondContact OG-OE2 3.08Å; S389-R399 PolarHBondContact OG-NH2 2.89Å
390	E	96.8	Very high	96.1	Very high	117 Å²	117	56.1 Å²	56.1	55%	0.547	28%	0.283	S	S	.	.			trans	-73.6	148.4	168.1	-74.7	177.2	-124.8	0	0	111.6	L333 D364 R392 P393 I394	L333-E390 VanDerWaalsContact CD1-CA 3.46Å; L333-E390 HydrophobicContact CD1-CB 4.04Å; L333-E390 HydrophobicContact CD1-CG 3.54Å; D364-E390 CarbonylContact O-C 3.33Å; D364-E390 WeakPolarHBondContact O-CA 3.25Å; E390-R392 VanDerWaalsContact C-N 3.32Å; E390-R392 PolarHBondContact O-N 3.26Å; E390-R392 VanDerWaalsContact O-N 3.09Å; E390-P393 HydrophobicContact CB-CB 4.05Å; E390-P393 HydrophobicContact CB-CG 3.64Å; E390-P393 HydrophobicContact CG-CG 4.47Å; E390-P393 WeakPolarHBondContact O-CD 3.28Å; E390-I394 PolarHBondContact O-N 3.28Å; E390-I394 VanDerWaalsContact O-N 3.11Å
391	H	96.8	Very high	96.8	Very high	21 Å²	21	52.6 Å²	52.6	10%	0.097	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-51.6	-171.8	-173.1	67.7	0	0	0	114.1	H193 S194 S223 D364 V367 I394	H193-H391 PolarHBondContact NE2-O 3.35Å; S194-H391 VanDerWaalsContact CB-NE2 3.3Å; S194-H391 WeakPolarHBondContact CB-NE2 3.21Å; S194-H391 PolarHBondContact OG-CE1 3.46Å; S194-H391 PolarHBondContact OG-NE2 3.09Å; S223-H391 PolarHBondContact O-CE1 2.8Å; S223-H391 VanDerWaalsContact O-CE1 3.3Å; S223-H391 PolarHBondContact OG-O 2.63Å; D364-H391 HydrophobicContact CB-CB 4.3Å; D364-H391 VanDerWaalsContact CG-ND1 3.3Å; D364-H391 PolarHBondContact O-N 3.15Å; D364-H391 WeakPolarHBondContact OD1-CB 3.38Å; D364-H391 IonicContact OD1-CG 2.63Å; D364-H391 IonicContact OD1-ND1 2.57Å; D364-H391 PolarHBondContact OD1-ND1 3.23Å; D364-H391 IonicContact OD2-CE1 3.93Å; D364-H391 IonicContact OD2-CG 3.55Å; D364-H391 IonicContact OD2-ND1 2.72Å; D364-H391 PolarHBondContact OD2-ND1 3.4Å; V367-H391 VanDerWaalsContact CG2-CE1 3.45Å; V367-H391 WeakPolarHBondContact CG2-CE1 3.27Å; H391-I394 WeakPolarHBondContact O-CG2 3.34Å
392	R	95.2	Very high	97	Very high	91 Å²	91	54.2 Å²	54.2	34%	0.343	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-48.1	177.9	172.9	-169.1	69	109.2	4.1	113.7	E130 Y131 E390 I394 L395	E130-R392 PolarHBondContact O-NH1 2.58Å; Y131-R392 HydrophobicContact CD2-CG 3.88Å; Y131-R392 HydrophobicContact CE2-CG 3.99Å; E390-R392 VanDerWaalsContact C-N 3.32Å; E390-R392 PolarHBondContact O-N 3.26Å; E390-R392 VanDerWaalsContact O-N 3.09Å; R392-I394 PolarHBondContact O-N 3.31Å; R392-L395 PolarHBondContact O-N 3.08Å; R392-L395 VanDerWaalsContact O-N 3.09Å
393	P	95.4	Very high	97	Very high	36 Å²	36	51 Å²	51	23%	0.234	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-53.1	-25.2	-179.5	-32	38.1	0	0	0	115.7	E390 L395 S396 E397	E390-P393 HydrophobicContact CB-CB 4.05Å; E390-P393 HydrophobicContact CB-CG 3.64Å; E390-P393 HydrophobicContact CG-CG 4.47Å; E390-P393 WeakPolarHBondContact O-CD 3.28Å; P393-L395 PolarHBondContact O-N 3.4Å; P393-S396 PolarHBondContact O-N 2.9Å; P393-S396 PolarHBondContact O-OG 2.63Å; P393-E397 PolarHBondContact O-N 3.38Å
394	I	97.5	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-44.7	-34.8	170.8	-166.1	168	0	0	0	113.6	V222 I328 F386 E390 H391 R392 S396 E397 F400	V222-I394 HydrophobicContact CG1-CD1 4.18Å; V222-I394 HydrophobicContact CG1-CG2 4.12Å; I328-I394 HydrophobicContact CG2-CD1 4.37Å; F386-I394 HydrophobicContact CB-CD1 4.28Å; F386-I394 HydrophobicContact CD2-CD1 4Å; F386-I394 HydrophobicContact CD2-CG1 4.39Å; E390-I394 PolarHBondContact O-N 3.28Å; E390-I394 VanDerWaalsContact O-N 3.11Å; H391-I394 WeakPolarHBondContact O-CG2 3.34Å; R392-I394 PolarHBondContact O-N 3.31Å; I394-S396 VanDerWaalsContact C-N 3.31Å; I394-S396 PolarHBondContact O-N 2.99Å; I394-E397 WeakPolarHBondContact CA-OE1 3.18Å; I394-E397 PolarHBondContact O-N 3.27Å; I394-F400 HydrophobicContact CG1-CB 4.4Å; I394-F400 HydrophobicContact CG1-CD2 4.39Å; I394-F400 HydrophobicContact CG1-CG 4.39Å; I394-F400 WeakPolarHBondContact O-CB 3.4Å; I394-F400 WeakPolarHBondContact O-CD1 3.34Å; I394-F400 VanDerWaalsContact O-CG 3.27Å; I394-F400 WeakPolarHBondContact O-CG 3.47Å
395	L	97.4	Very high	97	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-67.7	-25	-178	-63.7	-178.5	0	0	0	114.3	Y131 F132 H193 V222 R392 P393 F400	Y131-L395 HydrophobicContact CD1-CD1 4.37Å; Y131-L395 HydrophobicContact CD2-CD1 4.15Å; Y131-L395 HydrophobicContact CE1-CD1 4.14Å; Y131-L395 HydrophobicContact CE2-CD1 3.94Å; Y131-L395 HydrophobicContact CG-CD1 4.38Å; F132-L395 HydrophobicContact CD1-CD1 4.05Å; F132-L395 HydrophobicContact CD1-CD2 4.26Å; F132-L395 HydrophobicContact CE1-CD1 3.85Å; F132-L395 HydrophobicContact CE1-CD2 3.74Å; F132-L395 HydrophobicContact CE1-CG 4.37Å; F132-L395 HydrophobicContact CZ-CD1 4.27Å; H193-L395 HydrophobicContact CB-CD1 4.28Å; H193-L395 HydrophobicContact CB-CD2 4.23Å; V222-L395 HydrophobicContact CG1-CD2 4.29Å; R392-L395 PolarHBondContact O-N 3.08Å; R392-L395 VanDerWaalsContact O-N 3.09Å; P393-L395 PolarHBondContact O-N 3.4Å; L395-F400 HydrophobicContact CD2-CE1 3.8Å; L395-F400 HydrophobicContact CD2-CZ 3.94Å
396	S	96.5	Very high	96.8	Very high	48 Å²	48	51.5 Å²	51.5	34%	0.336	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-103.2	-4.3	177.9	62	0	0	0	0	113.6	E130 P393 I394 K398	E130-S396 WeakPolarHBondContact OE1-CB 3.48Å; P393-S396 PolarHBondContact O-N 2.9Å; P393-S396 PolarHBondContact O-OG 2.63Å; I394-S396 VanDerWaalsContact C-N 3.31Å; I394-S396 PolarHBondContact O-N 2.99Å; S396-K398 PolarHBondContact O-N 3.33Å
397	E	97.8	Very high	96.5	Very high	46 Å²	46	51.3 Å²	51.3	22%	0.215	25%	0.248	C	C	.	.			trans	-69.4	131.3	178.8	-74.2	-178.2	-131	0	0	112.6	S389 P393 I394 R399 F400 I401	S389-E397 WeakPolarHBondContact CA-OE1 3.15Å; S389-E397 VanDerWaalsContact CB-OE1 3.26Å; S389-E397 WeakPolarHBondContact CB-OE1 3.43Å; S389-E397 PolarHBondContact OG-OE1 3.18Å; S389-E397 PolarHBondContact OG-OE2 3.08Å; P393-E397 PolarHBondContact O-N 3.38Å; I394-E397 WeakPolarHBondContact CA-OE1 3.18Å; I394-E397 PolarHBondContact O-N 3.27Å; E397-R399 HydrophobicContact CB-CG 4.29Å; E397-R399 PolarHBondContact O-N 3.22Å; E397-R399 VanDerWaalsContact O-N 3.14Å; E397-R399 IonicContact OE1-NH2 3.08Å; E397-R399 IonicContact OE2-CZ 2.6Å; E397-R399 VanDerWaalsContact OE2-CZ 3.23Å; E397-R399 IonicContact OE2-NE 3.23Å; E397-R399 PolarHBondContact OE2-NE 3.03Å; E397-R399 IonicContact OE2-NH2 3.32Å; E397-R399 PolarHBondContact OE2-NH2 3.29Å; E397-F400 HydrophobicContact CB-CB 4.42Å; E397-F400 PolarHBondContact O-N 3.24Å; E397-I401 PolarHBondContact O-N 2.77Å
398	K	97.5	Very high	96.1	Very high	147 Å²	147	46.6 Å²	46.6	64%	0.639	22%	0.224	S	C	*	.	H	α-helix	trans	-51.8	-41.4	179.3	-171.1	-175.5	-174.6	-60.6	0	113	S396 F400 I401 D402	S396-K398 PolarHBondContact O-N 3.33Å; K398-F400 VanDerWaalsContact C-N 3.35Å; K398-F400 PolarHBondContact O-N 3.47Å; K398-I401 PolarHBondContact O-N 3.03Å; K398-D402 IonicContact NZ-OD1 2.64Å; K398-D402 PolarHBondContact NZ-OD1 2.99Å; K398-D402 IonicContact NZ-OD2 2.69Å; K398-D402 PolarHBondContact NZ-OD2 2.9Å; K398-D402 WeakPolarHBondContact O-CB 3.37Å; K398-D402 PolarHBondContact O-N 3.17Å
399	R	97.3	Very high	95.4	Very high	94 Å²	94	44.3 Å²	44.3	36%	0.355	21%	0.208	S	C	.	.	H	α-helix	trans	-64.6	-35.9	-179.7	63.2	-178.5	179.7	170.4	-8	113.2	F386 I387 S389 E397 F403	F386-R399 HydrophobicContact CD1-CB 4.46Å; F386-R399 VanDerWaalsContact CD1-CD 3.47Å; F386-R399 HydrophobicContact CD1-CG 3.73Å; F386-R399 HydrophobicContact CE1-CB 3.92Å; F386-R399 HydrophobicContact CE1-CG 3.62Å; F386-R399 HydrophobicContact CZ-CG 4.47Å; I387-R399 VanDerWaalsContact O-CZ 3.27Å; I387-R399 PolarHBondContact O-NH1 3.43Å; I387-R399 PolarHBondContact O-NH2 2.96Å; S389-R399 PolarHBondContact OG-NH2 2.89Å; E397-R399 HydrophobicContact CB-CG 4.29Å; E397-R399 PolarHBondContact O-N 3.22Å; E397-R399 VanDerWaalsContact O-N 3.14Å; E397-R399 IonicContact OE1-NH2 3.08Å; E397-R399 IonicContact OE2-CZ 2.6Å; E397-R399 VanDerWaalsContact OE2-CZ 3.23Å; E397-R399 IonicContact OE2-NE 3.23Å; E397-R399 PolarHBondContact OE2-NE 3.03Å; E397-R399 IonicContact OE2-NH2 3.32Å; E397-R399 PolarHBondContact OE2-NH2 3.29Å; R399-F403 WeakPolarHBondContact O-CB 3.49Å; R399-F403 PolarHBondContact O-N 3.46Å
400	F	98.2	Very high	93.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-72.5	-45.2	174	170.6	-103.4	0	0	0	111	L135 L191 V222 I328 F386 I394 L395 E397 K398 D402 F403 V404	L135-F400 HydrophobicContact CD2-CE1 4.33Å; L191-F400 HydrophobicContact CD1-CZ 4.05Å; L191-F400 HydrophobicContact CD2-CZ 4.42Å; V222-F400 HydrophobicContact CB-CE2 4.49Å; V222-F400 HydrophobicContact CG1-CE2 3.9Å; V222-F400 HydrophobicContact CG1-CZ 4.22Å; V222-F400 HydrophobicContact CG2-CE2 3.68Å; V222-F400 HydrophobicContact CG2-CZ 3.82Å; I328-F400 HydrophobicContact CD1-CE2 4.29Å; I328-F400 HydrophobicContact CG2-CD2 4.07Å; I328-F400 HydrophobicContact CG2-CE2 4.11Å; F386-F400 HydrophobicContact CE2-CB 4.19Å; F386-F400 HydrophobicContact CE2-CD2 4Å; F386-F400 HydrophobicContact CZ-CB 4.35Å; I394-F400 HydrophobicContact CG1-CB 4.4Å; I394-F400 HydrophobicContact CG1-CD2 4.39Å; I394-F400 HydrophobicContact CG1-CG 4.39Å; I394-F400 WeakPolarHBondContact O-CB 3.4Å; I394-F400 WeakPolarHBondContact O-CD1 3.34Å; I394-F400 VanDerWaalsContact O-CG 3.27Å; I394-F400 WeakPolarHBondContact O-CG 3.47Å; L395-F400 HydrophobicContact CD2-CE1 3.8Å; L395-F400 HydrophobicContact CD2-CZ 3.94Å; E397-F400 HydrophobicContact CB-CB 4.42Å; E397-F400 PolarHBondContact O-N 3.24Å; K398-F400 VanDerWaalsContact C-N 3.35Å; K398-F400 PolarHBondContact O-N 3.47Å; F400-D402 PolarHBondContact O-N 2.67Å; F400-F403 WeakPolarHBondContact O-CB 3.4Å; F400-F403 PolarHBondContact O-N 2.77Å; F400-V404 HydrophobicContact CD1-CG2 4.41Å; F400-V404 HydrophobicContact CD2-CG2 4.42Å; F400-V404 HydrophobicContact CE1-CG2 3.95Å; F400-V404 HydrophobicContact CE2-CG2 3.95Å; F400-V404 HydrophobicContact CZ-CG2 3.7Å; F400-V404 WeakPolarHBondContact O-CG2 3.34Å; F400-V404 PolarHBondContact O-N 3.4Å
401	I	98.1	Very high	93.7	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-44.1	178.6	-66.1	172.2	0	0	0	111.7	L135 E138 E397 K398 F403 V404 K405	L135-I401 HydrophobicContact CB-CG1 4.37Å; L135-I401 HydrophobicContact CD1-CB 4.47Å; L135-I401 HydrophobicContact CD1-CG1 4.14Å; L135-I401 HydrophobicContact CD1-CG2 4.25Å; E138-I401 HydrophobicContact CB-CG2 3.5Å; E138-I401 VanDerWaalsContact CB-CG2 3.5Å; E138-I401 HydrophobicContact CG-CD1 4.28Å; E138-I401 HydrophobicContact CG-CG2 3.87Å; E397-I401 PolarHBondContact O-N 2.77Å; K398-I401 PolarHBondContact O-N 3.03Å; I401-F403 VanDerWaalsContact C-N 3.31Å; I401-F403 PolarHBondContact O-N 3.11Å; I401-V404 PolarHBondContact O-N 3.42Å; I401-K405 HydrophobicContact CG2-CD 3.71Å; I401-K405 HydrophobicContact CG2-CG 4.46Å; I401-K405 WeakPolarHBondContact O-CB 3.49Å; I401-K405 VanDerWaalsContact O-CG 3.3Å; I401-K405 WeakPolarHBondContact O-CG 3.4Å; I401-K405 PolarHBondContact O-N 2.67Å
402	D	97.3	Very high	93.5	Very high	56 Å²	56	48.6 Å²	48.6	30%	0.299	23%	0.233	S	C	.	.	H	α-helix	trans	-60.3	-42.7	175	-72.4	-25.8	0	0	0	110.9	K398 F400 K405 Q406	K398-D402 IonicContact NZ-OD1 2.64Å; K398-D402 PolarHBondContact NZ-OD1 2.99Å; K398-D402 IonicContact NZ-OD2 2.69Å; K398-D402 PolarHBondContact NZ-OD2 2.9Å; K398-D402 WeakPolarHBondContact O-CB 3.37Å; K398-D402 PolarHBondContact O-N 3.17Å; F400-D402 PolarHBondContact O-N 2.67Å; D402-K405 PolarHBondContact O-N 3.4Å; D402-Q406 WeakPolarHBondContact O-CG 3.44Å; D402-Q406 PolarHBondContact O-N 3.45Å
403	F	97.1	Very high	93.4	Very high	30 Å²	30	46.2 Å²	46.2	13%	0.132	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-47	174.8	171.3	-87.6	0	0	0	111.9	L220 Y326 I328 V384 F386 R399 F400 I401 K405 Q406 N407	L220-F403 HydrophobicContact CD2-CE1 4.34Å; Y326-F403 HydrophobicContact CD1-CE1 4.46Å; Y326-F403 HydrophobicContact CD1-CE2 4.32Å; Y326-F403 AromaticContact CD1-CZ 3.53Å; Y326-F403 HydrophobicContact CD1-CZ 3.53Å; Y326-F403 HydrophobicContact CE1-CE2 4.43Å; Y326-F403 AromaticContact CE1-CZ 3.92Å; Y326-F403 HydrophobicContact CE1-CZ 3.92Å; Y326-F403 HydrophobicContact CG-CZ 4.11Å; I328-F403 HydrophobicContact CD1-CD1 4.19Å; I328-F403 HydrophobicContact CD1-CE1 3.56Å; I328-F403 HydrophobicContact CD1-CZ 4.36Å; I328-F403 HydrophobicContact CG1-CE1 4.21Å; V384-F403 HydrophobicContact CG1-CD2 4.43Å; V384-F403 HydrophobicContact CG1-CE2 4.49Å; V384-F403 HydrophobicContact CG2-CD2 4.31Å; V384-F403 HydrophobicContact CG2-CE2 3.58Å; V384-F403 HydrophobicContact CG2-CZ 3.71Å; F386-F403 HydrophobicContact CZ-CB 4.19Å; R399-F403 WeakPolarHBondContact O-CB 3.49Å; R399-F403 PolarHBondContact O-N 3.46Å; F400-F403 WeakPolarHBondContact O-CB 3.4Å; F400-F403 PolarHBondContact O-N 2.77Å; I401-F403 VanDerWaalsContact C-N 3.31Å; I401-F403 PolarHBondContact O-N 3.11Å; F403-K405 PolarHBondContact O-N 3.45Å; F403-Q406 PolarHBondContact O-N 3.05Å; F403-N407 WeakPolarHBondContact CE1-ND2 3.34Å; F403-N407 WeakPolarHBondContact CE2-ND2 3.28Å; F403-N407 WeakPolarHBondContact CZ-ND2 3.24Å; F403-N407 PolarHBondContact O-N 2.88Å; F403-N407 VanDerWaalsContact O-N 3.17Å; F403-N407 PolarHBondContact O-ND2 3.4Å
404	V	97.4	Very high	93.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-51.1	175.4	175.8	0	0	0	0	109.4	I46 L135 L191 L220 F400 I401 Q406 N407 M408	I46-V404 HydrophobicContact CD1-CG1 4.21Å; L135-V404 HydrophobicContact CD1-CB 4.04Å; L135-V404 HydrophobicContact CD1-CG1 3.96Å; L135-V404 HydrophobicContact CD1-CG2 4.28Å; L191-V404 HydrophobicContact CD1-CG1 4.37Å; L191-V404 HydrophobicContact CD1-CG2 4.02Å; L220-V404 HydrophobicContact CD2-CG1 4.49Å; L220-V404 HydrophobicContact CD2-CG2 4.04Å; F400-V404 HydrophobicContact CD1-CG2 4.41Å; F400-V404 HydrophobicContact CD2-CG2 4.42Å; F400-V404 HydrophobicContact CE1-CG2 3.95Å; F400-V404 HydrophobicContact CE2-CG2 3.95Å; F400-V404 HydrophobicContact CZ-CG2 3.7Å; F400-V404 WeakPolarHBondContact O-CG2 3.34Å; F400-V404 PolarHBondContact O-N 3.4Å; I401-V404 PolarHBondContact O-N 3.42Å; V404-Q406 VanDerWaalsContact C-N 3.28Å; V404-Q406 PolarHBondContact O-N 2.9Å; V404-N407 PolarHBondContact O-N 3.15Å; V404-M408 HydrophobicContact CG1-CG 3.92Å; V404-M408 HydrophobicContact CG1-SD 4.41Å; V404-M408 VanDerWaalsContact O-CG 3.29Å; V404-M408 WeakPolarHBondContact O-CG 3.47Å; V404-M408 PolarHBondContact O-N 3.5Å
405	K	95.8	Very high	93	Very high	53 Å²	53	49.8 Å²	49.8	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-57.2	-36.5	-179.4	-73.2	165.9	74.5	158.9	0	113.1	E138 L139 I401 D402 F403 N409	E138-K405 HydrophobicContact CB-CD 4.38Å; E138-K405 PolarHBondContact O-NZ 3.34Å; E138-K405 IonicContact OE2-NZ 3.33Å; E138-K405 PolarHBondContact OE2-NZ 3.03Å; E138-K405 VanDerWaalsContact OE2-NZ 3.08Å; L139-K405 HydrophobicContact CD2-CG 3.9Å; I401-K405 HydrophobicContact CG2-CD 3.71Å; I401-K405 HydrophobicContact CG2-CG 4.46Å; I401-K405 WeakPolarHBondContact O-CB 3.49Å; I401-K405 VanDerWaalsContact O-CG 3.3Å; I401-K405 WeakPolarHBondContact O-CG 3.4Å; I401-K405 PolarHBondContact O-N 2.67Å; D402-K405 PolarHBondContact O-N 3.4Å; F403-K405 PolarHBondContact O-N 3.45Å; K405-N409 WeakPolarHBondContact O-CB 3.25Å; K405-N409 PolarHBondContact O-ND2 3.06Å
406	Q	92.7	Very high	92.7	Very high	120 Å²	120	53.1 Å²	53.1	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-64.5	-46.1	173.2	-72.2	171.5	12.8	0	0	111.8	D402 F403 V404 M408 N409 N410	D402-Q406 WeakPolarHBondContact O-CG 3.44Å; D402-Q406 PolarHBondContact O-N 3.45Å; F403-Q406 PolarHBondContact O-N 3.05Å; V404-Q406 VanDerWaalsContact C-N 3.28Å; V404-Q406 PolarHBondContact O-N 2.9Å; Q406-M408 VanDerWaalsContact C-N 3.3Å; Q406-M408 PolarHBondContact O-N 2.83Å; Q406-N409 PolarHBondContact O-N 3.39Å; Q406-N410 VanDerWaalsContact O-CG 3.3Å; Q406-N410 PolarHBondContact O-ND2 3.01Å
407	N	90.8	Very high	92.5	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.08	25%	0.251	C	S	.	.	H	α-helix	trans	-72.5	-19.5	-179.4	-70.9	-80.3	0	0	0	114.2	Y326 F403 V404	Y326-N407 WeakPolarHBondContact CE1-OD1 3.14Å; Y326-N407 PolarHBondContact OH-OD1 2.7Å; F403-N407 WeakPolarHBondContact CE1-ND2 3.34Å; F403-N407 WeakPolarHBondContact CE2-ND2 3.28Å; F403-N407 WeakPolarHBondContact CZ-ND2 3.24Å; F403-N407 PolarHBondContact O-N 2.88Å; F403-N407 VanDerWaalsContact O-N 3.17Å; F403-N407 PolarHBondContact O-ND2 3.4Å; V404-N407 PolarHBondContact O-N 3.15Å
408	M	90.1	Very high	92.1	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-14.1	172.8	-62.7	-49.7	-52.5	0	0	114.2	Y44 I46 L139 Y145 V189 V404 Q406	Y44-M408 PolarHBondContact N-O 2.79Å; Y44-M408 VanDerWaalsContact N-O 3.13Å; Y44-M408 WeakPolarHBondContact O-CE 3.45Å; I46-M408 HydrophobicContact CB-CE 3.71Å; I46-M408 HydrophobicContact CB-SD 4.12Å; I46-M408 HydrophobicContact CD1-SD 3.88Å; I46-M408 HydrophobicContact CG1-CE 4.49Å; I46-M408 HydrophobicContact CG1-SD 4.28Å; I46-M408 HydrophobicContact CG2-CE 4.45Å; L139-M408 HydrophobicContact CD2-CG 4.38Å; Y145-M408 HydrophobicContact CE1-CE 4.15Å; Y145-M408 VanDerWaalsContact OH-CB 3.25Å; Y145-M408 WeakPolarHBondContact OH-CB 3.18Å; Y145-M408 PolarHBondContact OH-O 3.42Å; V189-M408 HydrophobicContact CB-CE 3.73Å; V189-M408 HydrophobicContact CB-SD 3.55Å; V189-M408 VanDerWaalsContact CB-SD 3.55Å; V189-M408 HydrophobicContact CG1-CE 4.46Å; V189-M408 HydrophobicContact CG1-SD 3.62Å; V189-M408 HydrophobicContact CG2-CE 3.57Å; V189-M408 HydrophobicContact CG2-SD 3.55Å; V189-M408 VanDerWaalsContact CG2-SD 3.55Å; V404-M408 HydrophobicContact CG1-CG 3.92Å; V404-M408 HydrophobicContact CG1-SD 4.41Å; V404-M408 VanDerWaalsContact O-CG 3.29Å; V404-M408 WeakPolarHBondContact O-CG 3.47Å; V404-M408 PolarHBondContact O-N 3.5Å; Q406-M408 VanDerWaalsContact C-N 3.3Å; Q406-M408 PolarHBondContact O-N 2.83Å
409	N	79.7	Confident	91.6	Very high	48 Å²	48	46.3 Å²	46.3	26%	0.257	22%	0.221	S	C	.	.			trans	-113	2.3	-170.2	-67.1	-22	0	0	0	114.3	I42 K43 Y145 K405 Q406	I42-N409 CarbonylContact O-C 3.28Å; I42-N409 VanDerWaalsContact O-C 3.28Å; I42-N409 WeakPolarHBondContact O-CA 3.4Å; K43-N409 WeakPolarHBondContact CD-OD1 3.4Å; K43-N409 WeakPolarHBondContact CE-OD1 3.47Å; K43-N409 VanDerWaalsContact NZ-CG 3.3Å; K43-N409 PolarHBondContact NZ-ND2 3.04Å; K43-N409 PolarHBondContact NZ-OD1 3.38Å; Y145-N409 PolarHBondContact OH-OD1 2.91Å; K405-N409 WeakPolarHBondContact O-CB 3.25Å; K405-N409 PolarHBondContact O-ND2 3.06Å; Q406-N409 PolarHBondContact O-N 3.39Å
410	N	64.9	Low	91.1	Very high	131 Å²	131	41.9 Å²	41.9	70%	0.701	21%	0.209	S	C	*	.			trans	-123.9	0	-174.2	-65	-18.7	0	0	0	110.9	Y44 K217 Q406	Y44-N410 WeakPolarHBondContact CE2-O 3.48Å; Y44-N410 WeakPolarHBondContact CE2-OXT 3.22Å; Y44-N410 PolarHBondContact OH-O 3.22Å; K217-N410 VanDerWaalsContact CE-OXT 3.23Å; K217-N410 WeakPolarHBondContact CE-OXT 3.01Å; K217-N410 PolarHBondContact NZ-OXT 3.06Å; Q406-N410 VanDerWaalsContact O-CG 3.3Å; Q406-N410 PolarHBondContact O-ND2 3.01Å

Retrieved 410 of 410 residues in 641.1 ms (Link to these results)

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