A0A096M2N5_POEFO Loading...

Kelch-like family member 26

AlphaFold DB , UniProt , Accession A0A096M2N5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 604 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	34.1	Very low	242 Å²	242	138.7 Å²	138.7	100%	1.192	84%	0.837	S	S	*	*				0	90.6	0	-72.2	173.4	110.3	0	0	105.8
2	A	34.9	Very low	34.1	Very low	94 Å²	94	144.3 Å²	144.3	78%	0.777	84%	0.842	S	S	*	*				87.8	100.6	68.2	0	0	0	0	0	112.4
3	E	36	Very low	34.5	Very low	188 Å²	188	147.3 Å²	147.3	88%	0.879	84%	0.843	S	S	*	*				59.6	146.6	128.4	-69.8	-175	160.5	0	0	125.4
4	S	36	Very low	34.4	Very low	110 Å²	110	145.6 Å²	145.6	77%	0.769	84%	0.844	S	S	*	*			trans	91.6	148.6	142.4	92.9	0	0	0	0	118.3
5	D	34.4	Very low	34.5	Very low	157 Å²	157	147 Å²	147	84%	0.84	84%	0.84	S	S	*	*			cis	-169	159.8	-2.6	-134.6	-21.6	0	0	0	110.6
6	G	29.2	Very low	34.6	Very low	76 Å²	76	147.6 Å²	147.6	78%	0.784	84%	0.84	S	S	*	*			trans	59.7	136.3	135.5	0	0	0	0	0	124.1
7	G	26.7	Very low	34.7	Very low	84 Å²	84	145.2 Å²	145.2	87%	0.866	83%	0.834	S	S	*	*			trans	160	77.4	150.3	0	0	0	0	0	118
8	D	35.5	Very low	34.7	Very low	145 Å²	145	146.6 Å²	146.6	78%	0.775	83%	0.834	S	S	*	*			trans	-78.8	157	160.1	-164.2	7	0	0	0	110.2
9	F	30.9	Very low	35	Very low	200 Å²	200	142.7 Å²	142.7	88%	0.877	82%	0.823	S	S	*	*			trans	167.4	119	144	-99.5	-73.1	0	0	0	112.8
10	T	33.9	Very low	35.4	Very low	115 Å²	115	144.5 Å²	144.5	71%	0.706	83%	0.829	S	S	*	*			trans	-73.5	170	164.5	52.3	0	0	0	0	111.9
11	P	42.8	Very low	36.3	Very low	115 Å²	115	145.5 Å²	145.5	75%	0.747	82%	0.824	S	S	*	*				-149.5	146.4	108.5	33.9	-15.3	0	0	0	117.9
12	K	34.5	Very low	37.3	Very low	205 Å²	205	141.8 Å²	141.8	89%	0.891	81%	0.809	S	S	*	*			trans	77.6	131	135.3	-73.7	-179.9	178.2	179.9	0	122.9
13	Q	38.7	Very low	38.4	Very low	184 Å²	184	142.2 Å²	142.2	86%	0.86	81%	0.806	S	S	*	*			trans	-62.9	153.8	173.5	-66.4	163.9	-35.5	0	0	114.7
14	S	33.4	Very low	39.5	Very low	123 Å²	123	139.2 Å²	139.2	86%	0.86	80%	0.801	S	S	*	*			trans	-142.4	124.6	134.3	57.8	0	0	0	0	110.7
15	E	36.3	Very low	40.7	Very low	167 Å²	167	142.9 Å²	142.9	78%	0.78	81%	0.811	S	S	*	*			trans	-71.9	144.4	171.2	-62.5	173.3	142.3	0	0	110.3
16	N	35.6	Very low	42.3	Very low	157 Å²	157	146.5 Å²	146.5	84%	0.84	81%	0.813	S	S	*	*				158.8	158.3	102.7	-121.7	-26.9	0	0	0	113.2
17	S	36.3	Very low	44.6	Very low	106 Å²	106	148.9 Å²	148.9	74%	0.741	82%	0.816	S	S	*	*			trans	92.5	75.4	161.9	-169	0	0	0	0	119.2
18	M	35.8	Very low	47.2	Very low	170 Å²	170	151.3 Å²	151.3	84%	0.837	81%	0.814	S	S	*	*				26	121.5	128.2	-70.6	-174.2	-178.1	0	0	120.8
19	A	40.5	Very low	49.7	Very low	74 Å²	74	153 Å²	153	61%	0.612	82%	0.815	S	S	*	*				88	76	129.3	0	0	0	0	0	118.9
20	N	41.9	Very low	52.4	Low	177 Å²	177	148.2 Å²	148.2	95%	0.947	81%	0.807	S	S	*	*				-107.3	80.2	121.6	-103.3	-16.3	0	0	0	108
21	K	54.3	Low	55.2	Low	166 Å²	166	144.6 Å²	144.6	72%	0.722	79%	0.788	S	S	*	*			trans	-92.8	111	177	-79.5	179.7	175.3	178.3	0	108.9
22	N	55.3	Low	57.4	Low	164 Å²	164	144.7 Å²	144.7	88%	0.877	79%	0.789	S	S	*	*	S	Bend	trans	160.3	21.7	141.3	-80.3	-4.8	0	0	0	116.1
23	S	58.8	Low	60.1	Low	104 Å²	104	138.8 Å²	138.8	73%	0.727	77%	0.773	S	S	*	*	S	Bend	trans	-145.3	97.7	159.7	61.3	0	0	0	0	106.3
24	T	58	Low	62.7	Low	124 Å²	124	135.8 Å²	135.8	76%	0.761	76%	0.759	S	S	*	*				-172.1	84.3	63.4	40.1	0	0	0	0	108.5	R26	T24-R26 PolarHBondContact O-N 3.33Å
25	L	61.5	Low	65.5	Low	187 Å²	187	133.9 Å²	133.9	98%	0.979	75%	0.745	S	S	*	*			trans	-84.1	89.4	166.6	-88.7	153.3	0	0	0	107.8
26	R	68.8	Low	68.1	Low	234 Å²	234	129 Å²	129	88%	0.883	73%	0.734	S	S	*	*			trans	-97.5	115	168.2	-81.4	-174.6	176.4	173.9	-0.8	108.5	T24	T24-R26 PolarHBondContact O-N 3.33Å
27	C	77.3	Confident	70.9	Confident	126 Å²	126	126 Å²	126	85%	0.851	72%	0.721	S	S	*	*			trans	-104.7	121.6	167.7	-175.7	0	0	0	0	107.5
28	T	81.5	Confident	73.6	Confident	134 Å²	134	125.4 Å²	125.4	82%	0.822	71%	0.709	S	S	*	*			trans	-107.2	119.6	174.6	-47.3	0	0	0	0	107.5
29	F	88.6	Confident	76.5	Confident	180 Å²	180	119.3 Å²	119.3	79%	0.789	68%	0.68	S	S	*	*			trans	-102.4	130.4	174.4	173.8	-105.6	0	0	0	109.2	A31	F29-A31 HydrophobicContact CE1-CB 3.64Å; F29-A31 HydrophobicContact CZ-CB 3.81Å
30	S	87.5	Confident	79	Confident	101 Å²	101	121.6 Å²	121.6	71%	0.706	68%	0.678	S	S	*	*			trans	-121.9	125.7	173.5	-177.1	0	0	0	0	108.2	P32	S30-P32 WeakPolarHBondContact O-CD 3.41Å
31	A	91.1	Very high	81.6	Confident	38 Å²	38	114.8 Å²	114.8	31%	0.314	65%	0.65	S	S	.	*			trans	-111	97.9	177.8	0	0	0	0	0	109.7	F29 S33 H34	F29-A31 HydrophobicContact CE1-CB 3.64Å; F29-A31 HydrophobicContact CZ-CB 3.81Å; A31-S33 PolarHBondContact O-N 3.27Å; A31-S33 VanDerWaalsContact O-N 3.15Å; A31-H34 HydrophobicContact CB-CB 4.1Å; A31-H34 VanDerWaalsContact O-CB 3.29Å; A31-H34 WeakPolarHBondContact O-CB 3.45Å; A31-H34 PolarHBondContact O-N 2.9Å; A31-H34 VanDerWaalsContact O-N 3.07Å
32	P	89.4	Confident	83.5	Confident	118 Å²	118	109.1 Å²	109.1	77%	0.766	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-27	-177	-25.9	35.1	0	0	0	114.4	S30 H34	S30-P32 WeakPolarHBondContact O-CD 3.41Å; P32-H34 VanDerWaalsContact C-N 3.35Å
33	S	91.5	Very high	85.4	Confident	81 Å²	81	103.1 Å²	103.1	57%	0.566	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-4.6	179.6	57.2	0	0	0	0	114.6	A31 S35 A36 T37	A31-S33 PolarHBondContact O-N 3.27Å; A31-S33 VanDerWaalsContact O-N 3.15Å; S33-S35 PolarHBondContact O-N 3.08Å; S33-A36 PolarHBondContact O-N 3.2Å; S33-T37 PolarHBondContact O-N 3.22Å; S33-T37 VanDerWaalsContact O-N 3.11Å; S33-T37 PolarHBondContact O-OG1 3.49Å
34	H	93.8	Very high	87.2	Confident	121 Å²	121	101.1 Å²	101.1	56%	0.56	58%	0.581	S	S	*	*	H	α-helix	trans	-63.6	-42.3	-175.2	179.5	58.1	0	0	0	112.2	A31 P32 T37 L38	A31-H34 HydrophobicContact CB-CB 4.1Å; A31-H34 VanDerWaalsContact O-CB 3.29Å; A31-H34 WeakPolarHBondContact O-CB 3.45Å; A31-H34 PolarHBondContact O-N 2.9Å; A31-H34 VanDerWaalsContact O-N 3.07Å; P32-H34 VanDerWaalsContact C-N 3.35Å; H34-T37 PolarHBondContact O-N 2.85Å; H34-L38 WeakPolarHBondContact O-CB 3.29Å; H34-L38 PolarHBondContact O-N 2.8Å
35	S	91.2	Very high	89	Confident	82 Å²	82	97.5 Å²	97.5	57%	0.573	56%	0.557	S	S	*	*	H	α-helix	trans	-60.8	-46.4	179.3	49.7	0	0	0	0	112.5	S33 T37 L38 L39	S33-S35 PolarHBondContact O-N 3.08Å; S35-T37 PolarHBondContact O-N 3.17Å; S35-L38 PolarHBondContact O-N 3.42Å; S35-L39 WeakPolarHBondContact O-CB 3.27Å; S35-L39 PolarHBondContact O-N 2.85Å
36	A	91.6	Very high	90.6	Very high	64 Å²	64	91.1 Å²	91.1	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-63.4	-41.5	177.4	0	0	0	0	0	111.8	S33 L39 Q40	S33-A36 PolarHBondContact O-N 3.2Å; A36-L39 PolarHBondContact O-N 2.83Å; A36-Q40 WeakPolarHBondContact O-CB 3.42Å; A36-Q40 PolarHBondContact O-N 3.36Å
37	T	93.6	Very high	91.8	Very high	95 Å²	95	84.2 Å²	84.2	58%	0.583	51%	0.513	S	S	*	.	H	α-helix	trans	-66.7	-40.1	178	-54.3	0	0	0	0	111.5	S33 H34 S35 G41	S33-T37 PolarHBondContact O-N 3.22Å; S33-T37 VanDerWaalsContact O-N 3.11Å; S33-T37 PolarHBondContact O-OG1 3.49Å; H34-T37 PolarHBondContact O-N 2.85Å; S35-T37 PolarHBondContact O-N 3.17Å; T37-G41 PolarHBondContact O-N 3.39Å
38	L	94.7	Very high	92.7	Very high	94 Å²	94	83.8 Å²	83.8	49%	0.492	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-47	176	176.7	64	0	0	0	111.2	H34 S35 Q40 G41 L42	H34-L38 WeakPolarHBondContact O-CB 3.29Å; H34-L38 PolarHBondContact O-N 2.8Å; S35-L38 PolarHBondContact O-N 3.42Å; L38-Q40 PolarHBondContact O-N 2.95Å; L38-G41 PolarHBondContact O-N 2.87Å; L38-G41 VanDerWaalsContact O-N 3.16Å; L38-L42 HydrophobicContact CD1-CD1 4.47Å; L38-L42 HydrophobicContact CG-CD1 4.2Å; L38-L42 WeakPolarHBondContact O-CG 3.28Å; L38-L42 PolarHBondContact O-N 2.9Å
39	L	94.7	Very high	93.2	Very high	41 Å²	41	79.6 Å²	79.6	22%	0.215	48%	0.481	C	S	.	.	H	α-helix	trans	-62	-44.1	179.2	-171.7	62.4	0	0	0	111.4	S35 A36 G41 L42 S43 A110 Y111	S35-L39 WeakPolarHBondContact O-CB 3.27Å; S35-L39 PolarHBondContact O-N 2.85Å; A36-L39 PolarHBondContact O-N 2.83Å; L39-G41 VanDerWaalsContact C-N 3.3Å; L39-G41 PolarHBondContact O-N 2.86Å; L39-L42 PolarHBondContact O-N 2.89Å; L39-S43 PolarHBondContact O-N 3.5Å; L39-A110 WeakPolarHBondContact CD1-O 3.34Å; L39-Y111 WeakPolarHBondContact CG-O 3.19Å
40	Q	94.1	Very high	93.5	Very high	123 Å²	123	75.2 Å²	75.2	58%	0.575	46%	0.463	S	S	*	.	H	α-helix	trans	-59.1	-41.7	173.7	-173.5	61.8	37.4	0	0	111.9	A36 L38 S43 V44	A36-Q40 WeakPolarHBondContact O-CB 3.42Å; A36-Q40 PolarHBondContact O-N 3.36Å; L38-Q40 PolarHBondContact O-N 2.95Å; Q40-S43 PolarHBondContact O-N 3.3Å; Q40-V44 WeakPolarHBondContact O-CG2 3.22Å; Q40-V44 PolarHBondContact O-N 2.98Å
41	G	95.4	Very high	93.8	Very high	34 Å²	34	77 Å²	77	35%	0.351	46%	0.464	S	S	.	.	H	α-helix	trans	-60.5	-46.1	174.8	0	0	0	0	0	112.6	T37 L38 L39 S43 V44 L45	T37-G41 PolarHBondContact O-N 3.39Å; L38-G41 PolarHBondContact O-N 2.87Å; L38-G41 VanDerWaalsContact O-N 3.16Å; L39-G41 VanDerWaalsContact C-N 3.3Å; L39-G41 PolarHBondContact O-N 2.86Å; G41-S43 VanDerWaalsContact C-N 3.32Å; G41-S43 PolarHBondContact O-N 2.92Å; G41-V44 PolarHBondContact O-N 2.6Å; G41-L45 WeakPolarHBondContact O-CG 3.22Å; G41-L45 PolarHBondContact O-N 3.5Å
42	L	95.6	Very high	93.9	Very high	47 Å²	47	77.1 Å²	77.1	25%	0.246	46%	0.46	C	S	.	.	H	α-helix	trans	-62.4	-37.8	177	-69.7	165.6	0	0	0	112.3	L38 L39 L45 R46 V69 Y111	L38-L42 HydrophobicContact CD1-CD1 4.47Å; L38-L42 HydrophobicContact CG-CD1 4.2Å; L38-L42 WeakPolarHBondContact O-CG 3.28Å; L38-L42 PolarHBondContact O-N 2.9Å; L39-L42 PolarHBondContact O-N 2.89Å; L42-L45 PolarHBondContact O-N 2.92Å; L42-R46 PolarHBondContact O-N 3.43Å; L42-R46 VanDerWaalsContact O-N 3.09Å; L42-V69 HydrophobicContact CB-CG2 4.48Å; L42-V69 HydrophobicContact CD1-CG2 4Å; L42-V69 HydrophobicContact CD2-CG2 4.05Å; L42-V69 HydrophobicContact CG-CG2 4.41Å; L42-Y111 HydrophobicContact CB-CD1 4.16Å; L42-Y111 HydrophobicContact CB-CE1 4.2Å
43	S	94.8	Very high	94.1	Very high	38 Å²	38	75.1 Å²	75.1	27%	0.266	44%	0.442	S	S	.	.	H	α-helix	trans	-63.7	-44.5	174.8	-174.8	0	0	0	0	112	L39 Q40 G41 L45 R46 A47	L39-S43 PolarHBondContact O-N 3.5Å; Q40-S43 PolarHBondContact O-N 3.3Å; G41-S43 VanDerWaalsContact C-N 3.32Å; G41-S43 PolarHBondContact O-N 2.92Å; S43-L45 PolarHBondContact O-N 3.41Å; S43-R46 PolarHBondContact O-N 3.04Å; S43-A47 PolarHBondContact O-N 3.44Å
44	V	95.7	Very high	94.3	Very high	62 Å²	62	71.5 Å²	71.5	38%	0.376	42%	0.417	S	S	.	.	H	α-helix	trans	-63.2	-42.2	175.9	172	0	0	0	0	111.7	Q40 G41 R46 A47 Q48	Q40-V44 WeakPolarHBondContact O-CG2 3.22Å; Q40-V44 PolarHBondContact O-N 2.98Å; G41-V44 PolarHBondContact O-N 2.6Å; V44-R46 VanDerWaalsContact C-N 3.32Å; V44-R46 PolarHBondContact O-N 3.26Å; V44-A47 PolarHBondContact O-N 2.71Å; V44-Q48 WeakPolarHBondContact O-CG 3.2Å; V44-Q48 PolarHBondContact O-N 3.35Å; V44-Q48 VanDerWaalsContact O-N 3.08Å
45	L	96.4	Very high	94.3	Very high	47 Å²	47	67.2 Å²	67.2	25%	0.246	40%	0.399	C	S	.	.	H	α-helix	trans	-59	-44.1	176.1	-72	172.7	0	0	0	111.4	G41 L42 S43 Q48 G49 Q50 L51	G41-L45 WeakPolarHBondContact O-CG 3.22Å; G41-L45 PolarHBondContact O-N 3.5Å; L42-L45 PolarHBondContact O-N 2.92Å; S43-L45 PolarHBondContact O-N 3.41Å; L45-Q48 PolarHBondContact O-N 3.13Å; L45-G49 PolarHBondContact O-N 3.15Å; L45-Q50 HydrophobicContact CD2-CB 3.96Å; L45-Q50 VanDerWaalsContact CD2-OE1 3.3Å; L45-Q50 PolarHBondContact O-N 3.47Å; L45-L51 HydrophobicContact CD1-CD1 4.38Å
46	R	95.3	Very high	94.5	Very high	53 Å²	53	63.3 Å²	63.3	20%	0.2	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-46.7	176.3	179.6	179.9	170.4	-130.3	-2.5	111.6	L42 S43 V44 Q48 G49 L52 Q64 I107 D108 Y111	L42-R46 PolarHBondContact O-N 3.43Å; L42-R46 VanDerWaalsContact O-N 3.09Å; S43-R46 PolarHBondContact O-N 3.04Å; V44-R46 VanDerWaalsContact C-N 3.32Å; V44-R46 PolarHBondContact O-N 3.26Å; R46-Q48 PolarHBondContact O-N 2.88Å; R46-G49 PolarHBondContact O-N 3.13Å; R46-G49 VanDerWaalsContact O-N 3.09Å; R46-L52 HydrophobicContact CB-CD2 4.39Å; R46-L52 HydrophobicContact CG-CD2 4.33Å; R46-Q64 PolarHBondContact NE-O 3.46Å; R46-I107 VanDerWaalsContact NH2-CG2 3.27Å; R46-D108 IonicContact CZ-OD1 2.7Å; R46-D108 IonicContact NH1-OD1 3.68Å; R46-D108 PolarHBondContact NH1-OD1 3.46Å; R46-D108 IonicContact NH2-OD1 3.81Å; R46-Y111 HydrophobicContact CB-CD1 4.34Å; R46-Y111 HydrophobicContact CB-CE1 4.07Å; R46-Y111 VanDerWaalsContact CD-CE2 3.48Å
47	A	93.9	Very high	94.6	Very high	90 Å²	90	60.7 Å²	60.7	74%	0.744	35%	0.35	S	S	*	.	H	α-helix	trans	-61	-28.6	179.4	0	0	0	0	0	113.1	S43 V44	S43-A47 PolarHBondContact O-N 3.44Å; V44-A47 PolarHBondContact O-N 2.71Å
48	Q	95.4	Very high	94.6	Very high	117 Å²	117	56.1 Å²	56.1	55%	0.547	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.6	178.2	-66.5	-179.2	5.1	0	0	114.1	V44 L45 R46 Q50	V44-Q48 WeakPolarHBondContact O-CG 3.2Å; V44-Q48 PolarHBondContact O-N 3.35Å; V44-Q48 VanDerWaalsContact O-N 3.08Å; L45-Q48 PolarHBondContact O-N 3.13Å; R46-Q48 PolarHBondContact O-N 2.88Å; Q48-Q50 VanDerWaalsContact C-N 3.3Å; Q48-Q50 HydrophobicContact CB-CG 3.99Å; Q48-Q50 PolarHBondContact O-N 2.98Å
49	G	93	Very high	94.1	Very high	45 Å²	45	58.3 Å²	58.3	46%	0.464	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	21.8	-177.7	0	0	0	0	0	114.1	L45 R46	L45-G49 PolarHBondContact O-N 3.15Å; R46-G49 PolarHBondContact O-N 3.13Å; R46-G49 VanDerWaalsContact O-N 3.09Å
50	Q	94.2	Very high	93.7	Very high	88 Å²	88	65.1 Å²	65.1	41%	0.411	37%	0.365	S	S	.	.			trans	-97.6	137.2	-173.1	-67.2	178.1	-2.2	0	0	111.3	L45 Q48 L52 H66	L45-Q50 HydrophobicContact CD2-CB 3.96Å; L45-Q50 VanDerWaalsContact CD2-OE1 3.3Å; L45-Q50 PolarHBondContact O-N 3.47Å; Q48-Q50 VanDerWaalsContact C-N 3.3Å; Q48-Q50 HydrophobicContact CB-CG 3.99Å; Q48-Q50 PolarHBondContact O-N 2.98Å; Q50-L52 PolarHBondContact O-N 2.99Å; Q50-L52 VanDerWaalsContact O-N 3.13Å; Q50-H66 PolarHBondContact O-NE2 3.21Å; Q50-H66 VanDerWaalsContact O-NE2 3.13Å
51	L	93.3	Very high	93.7	Very high	139 Å²	139	64 Å²	64	73%	0.728	36%	0.36	S	S	*	.	S	Bend	trans	59.1	19.5	175.9	-53.7	176.1	0	0	0	115.1	L45 H66	L45-L51 HydrophobicContact CD1-CD1 4.38Å; L51-H66 PolarHBondContact O-CD2 2.71Å
52	L	94.4	Very high	93.7	Very high	41 Å²	41	68.4 Å²	68.4	22%	0.215	37%	0.371	C	S	.	.			trans	-73	132.4	175.1	-58.1	178.7	0	0	0	110.2	R46 Q50 Q64 H66	R46-L52 HydrophobicContact CB-CD2 4.39Å; R46-L52 HydrophobicContact CG-CD2 4.33Å; Q50-L52 PolarHBondContact O-N 2.99Å; Q50-L52 VanDerWaalsContact O-N 3.13Å; L52-Q64 HydrophobicContact CB-CB 4.49Å; L52-Q64 HydrophobicContact CD1-CB 3.52Å; L52-H66 WeakPolarHBondContact CD2-CE1 3.4Å
53	D	93.9	Very high	93.7	Very high	75 Å²	75	67.1 Å²	67.1	40%	0.401	36%	0.363	S	S	.	.			trans	-129.4	4.9	-169	61.4	-6.5	0	0	0	113.1	V65 H66 K67	D53-V65 PolarHBondContact N-O 3.5Å; D53-H66 VanDerWaalsContact OD1-CA 3.25Å; D53-H66 WeakPolarHBondContact OD1-CA 3.36Å; D53-K67 VanDerWaalsContact O-CE 3.28Å; D53-K67 WeakPolarHBondContact O-CE 3.44Å; D53-K67 WeakPolarHBondContact OD1-CG 3.31Å; D53-K67 PolarHBondContact OD1-N 2.7Å; D53-K67 WeakPolarHBondContact OD2-CB 3.28Å
54	V	94.5	Very high	93.7	Very high	5 Å²	5	70.6 Å²	70.6	3%	0.03	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	148.9	171.4	70.2	0	0	0	0	112.6	L56 V65 K67 F81 I93	V54-L56 HydrophobicContact CG2-CD2 4.48Å; V54-V65 HydrophobicContact CG1-CG2 3.41Å; V54-V65 VanDerWaalsContact CG1-CG2 3.41Å; V54-V65 PolarHBondContact N-O 2.99Å; V54-V65 PolarHBondContact O-N 3.46Å; V54-K67 HydrophobicContact CB-CD 4.38Å; V54-K67 HydrophobicContact CB-CG 3.8Å; V54-K67 HydrophobicContact CG1-CG 3.69Å; V54-F81 HydrophobicContact CG1-CZ 4.4Å; V54-I93 HydrophobicContact CG2-CD1 3.66Å; V54-I93 HydrophobicContact CG2-CG1 4.07Å
55	V	95.3	Very high	93.8	Very high	31 Å²	31	67.7 Å²	67.7	19%	0.188	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.4	169.4	-172.1	0	0	0	0	109.5	H62 F63 Q64 D91 T92 I93	V55-H62 HydrophobicContact CG1-CB 3.98Å; V55-F63 WeakPolarHBondContact CA-O 3.42Å; V55-Q64 HydrophobicContact CG2-CG 4.1Å; V55-D91 PolarHBondContact N-O 3.03Å; V55-T92 HydrophobicContact CB-CG2 4.27Å; V55-T92 HydrophobicContact CG1-CG2 4.41Å; V55-T92 CarbonylContact O-C 3.57Å; V55-T92 VanDerWaalsContact O-CA 3.27Å; V55-T92 WeakPolarHBondContact O-CA 3.46Å; V55-I93 PolarHBondContact O-N 3.27Å
56	L	94.8	Very high	93.8	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.5	170.6	-57.9	-178.8	0	0	0	109.2	V54 H62 F63 V65 L70 F77 I93 L95 L103 I107	V54-L56 HydrophobicContact CG2-CD2 4.48Å; L56-H62 WeakPolarHBondContact O-CA 3.46Å; L56-F63 HydrophobicContact CB-CB 4.46Å; L56-F63 PolarHBondContact N-O 2.83Å; L56-F63 PolarHBondContact O-N 3.34Å; L56-V65 HydrophobicContact CD1-CG2 4.14Å; L56-V65 HydrophobicContact CG-CG2 4.02Å; L56-L70 HydrophobicContact CD1-CD1 3.72Å; L56-F77 HydrophobicContact CD1-CE1 3.98Å; L56-F77 HydrophobicContact CD1-CZ 3.7Å; L56-F77 HydrophobicContact CD2-CE1 4.07Å; L56-I93 HydrophobicContact CD2-CB 4.18Å; L56-L95 HydrophobicContact CB-CD1 4.35Å; L56-L95 HydrophobicContact CD1-CD1 4.13Å; L56-L95 HydrophobicContact CD2-CD1 4.21Å; L56-L95 HydrophobicContact CG-CD1 4.47Å; L56-L103 HydrophobicContact CB-CD2 4.19Å; L56-L103 HydrophobicContact CD1-CD1 4.23Å; L56-L103 HydrophobicContact CD1-CD2 4.48Å; L56-I107 HydrophobicContact CD1-CD1 4.25Å
57	A	93.3	Very high	93.7	Very high	9 Å²	9	65.4 Å²	65.4	7%	0.074	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.3	177.4	0	0	0	0	0	110.1	E61 H62 T92 I93 E94 L95	A57-E61 WeakPolarHBondContact CA-O 3.5Å; A57-H62 WeakPolarHBondContact CB-ND1 3.42Å; A57-T92 HydrophobicContact CB-CG2 4.07Å; A57-I93 PolarHBondContact N-O 2.95Å; A57-E94 CarbonylContact O-C 3.56Å; A57-E94 WeakPolarHBondContact O-CA 3.34Å; A57-L95 PolarHBondContact O-N 3.04Å
58	V	93.2	Very high	93.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	117.4	172.1	173.9	0	0	0	0	107.6	E60 E61 L95 L98 A100 L103	V58-E60 PolarHBondContact O-N 3.16Å; V58-E61 PolarHBondContact N-O 3.17Å; V58-E61 PolarHBondContact O-N 3.41Å; V58-L95 HydrophobicContact CG2-CB 3.81Å; V58-L98 HydrophobicContact CG1-CB 4.45Å; V58-L98 WeakPolarHBondContact CG1-O 3.47Å; V58-L98 HydrophobicContact CG2-CB 4.39Å; V58-A100 HydrophobicContact CG1-CB 4.38Å; V58-L103 HydrophobicContact CB-CD2 4.35Å; V58-L103 HydrophobicContact CG2-CD2 3.42Å; V58-L103 VanDerWaalsContact CG2-CD2 3.42Å
59	N	85.5	Confident	93.7	Very high	139 Å²	139	59.7 Å²	59.7	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	-118.8	-171.7	-55.2	-33.6	0	0	0	110.9
60	E	85.9	Confident	93.8	Very high	184 Å²	184	57.6 Å²	57.6	86%	0.86	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	2.7	177.5	-58.9	-160.2	166.8	0	0	113.8	V58	V58-E60 PolarHBondContact O-N 3.16Å
61	E	94.3	Very high	93.8	Very high	101 Å²	101	54 Å²	54	47%	0.472	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.6	-179	-69	-169.5	-134.1	0	0	112.3	A57 V58 F63 A100	A57-E61 WeakPolarHBondContact CA-O 3.5Å; V58-E61 PolarHBondContact N-O 3.17Å; V58-E61 PolarHBondContact O-N 3.41Å; E61-F63 HydrophobicContact CB-CE2 3.83Å; E61-F63 HydrophobicContact CB-CZ 4.08Å; E61-F63 WeakPolarHBondContact OE2-CZ 3.39Å; E61-A100 HydrophobicContact CB-CB 3.91Å; E61-A100 HydrophobicContact CG-CB 3.99Å; E61-A100 VanDerWaalsContact OE1-CB 3.3Å; E61-A100 WeakPolarHBondContact OE1-CB 3.27Å
62	H	94.6	Very high	93.8	Very high	125 Å²	125	51.3 Å²	51.3	58%	0.579	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.1	-177.6	-62.7	-69.9	0	0	0	111.4	V55 L56 A57	V55-H62 HydrophobicContact CG1-CB 3.98Å; L56-H62 WeakPolarHBondContact O-CA 3.46Å; A57-H62 WeakPolarHBondContact CB-ND1 3.42Å
63	F	96.3	Very high	93.7	Very high	20 Å²	20	51.5 Å²	51.5	9%	0.088	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113	-178.3	-57.1	-89	0	0	0	110.5	V55 L56 E61 A100 L103 K104 I107	V55-F63 WeakPolarHBondContact CA-O 3.42Å; L56-F63 HydrophobicContact CB-CB 4.46Å; L56-F63 PolarHBondContact N-O 2.83Å; L56-F63 PolarHBondContact O-N 3.34Å; E61-F63 HydrophobicContact CB-CE2 3.83Å; E61-F63 HydrophobicContact CB-CZ 4.08Å; E61-F63 WeakPolarHBondContact OE2-CZ 3.39Å; F63-A100 HydrophobicContact CE2-CB 4.36Å; F63-A100 HydrophobicContact CZ-CB 4.3Å; F63-L103 HydrophobicContact CD2-CD2 3.73Å; F63-L103 HydrophobicContact CD2-CG 4.4Å; F63-L103 HydrophobicContact CE2-CD2 3.99Å; F63-K104 HydrophobicContact CE1-CB 3.86Å; F63-K104 HydrophobicContact CE1-CG 4.14Å; F63-K104 HydrophobicContact CZ-CB 4.19Å; F63-I107 HydrophobicContact CB-CD1 3.58Å; F63-I107 HydrophobicContact CD1-CD1 4.07Å; F63-I107 HydrophobicContact CD2-CD1 4.44Å; F63-I107 HydrophobicContact CG-CD1 3.78Å
64	Q	95.4	Very high	93.8	Very high	112 Å²	112	48 Å²	48	52%	0.523	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.1	173.5	-53.5	-169	3.3	0	0	110.4	R46 L52 V55	R46-Q64 PolarHBondContact NE-O 3.46Å; L52-Q64 HydrophobicContact CB-CB 4.49Å; L52-Q64 HydrophobicContact CD1-CB 3.52Å; V55-Q64 HydrophobicContact CG2-CG 4.1Å
65	V	96.5	Very high	93.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	172.1	-170.8	-63.8	0	0	0	0	111.4	D53 V54 L56 L70 I107	D53-V65 PolarHBondContact N-O 3.5Å; V54-V65 HydrophobicContact CG1-CG2 3.41Å; V54-V65 VanDerWaalsContact CG1-CG2 3.41Å; V54-V65 PolarHBondContact N-O 2.99Å; V54-V65 PolarHBondContact O-N 3.46Å; L56-V65 HydrophobicContact CD1-CG2 4.14Å; L56-V65 HydrophobicContact CG-CG2 4.02Å; V65-L70 HydrophobicContact CB-CD1 4.15Å; V65-L70 HydrophobicContact CG2-CD1 3.52Å; V65-L70 HydrophobicContact CG2-CG 4.4Å; V65-I107 HydrophobicContact CG1-CD1 3.97Å; V65-I107 HydrophobicContact CG1-CG1 4.32Å; V65-I107 HydrophobicContact CG1-CG2 3.56Å
66	H	96	Very high	93.7	Very high	13 Å²	13	52.8 Å²	52.8	6%	0.06	29%	0.286	C	S	.	.			trans	-100.6	123.9	174.9	-53.6	88.2	0	0	0	110.1	Q50 L51 L52 D53 A68 V69 L70 Y111	Q50-H66 PolarHBondContact O-NE2 3.21Å; Q50-H66 VanDerWaalsContact O-NE2 3.13Å; L51-H66 PolarHBondContact O-CD2 2.71Å; L52-H66 WeakPolarHBondContact CD2-CE1 3.4Å; D53-H66 VanDerWaalsContact OD1-CA 3.25Å; D53-H66 WeakPolarHBondContact OD1-CA 3.36Å; H66-A68 PolarHBondContact O-N 2.91Å; H66-V69 HydrophobicContact CB-CB 4.26Å; H66-V69 HydrophobicContact CB-CG2 3.89Å; H66-V69 PolarHBondContact O-N 3.3Å; H66-V69 VanDerWaalsContact O-N 3.16Å; H66-L70 PolarHBondContact O-N 3.33Å; H66-Y111 VanDerWaalsContact CB-OH 3.25Å; H66-Y111 WeakPolarHBondContact CB-OH 3.49Å; H66-Y111 PolarHBondContact N-OH 3.33Å; H66-Y111 AromaticContact ND1-CE1 3.51Å; H66-Y111 AromaticContact ND1-CZ 3.52Å; H66-Y111 PolarHBondContact ND1-OH 3.39Å
67	K	93.9	Very high	93.6	Very high	39 Å²	39	52.8 Å²	52.8	17%	0.17	29%	0.286	C	S	.	.	H	α-helix	trans	-53.7	-42.5	176.7	-71.6	-179.1	179.8	177.2	0	111.3	D53 V54 V69 L70 A71 F81 S88	D53-K67 VanDerWaalsContact O-CE 3.28Å; D53-K67 WeakPolarHBondContact O-CE 3.44Å; D53-K67 WeakPolarHBondContact OD1-CG 3.31Å; D53-K67 PolarHBondContact OD1-N 2.7Å; D53-K67 WeakPolarHBondContact OD2-CB 3.28Å; V54-K67 HydrophobicContact CB-CD 4.38Å; V54-K67 HydrophobicContact CB-CG 3.8Å; V54-K67 HydrophobicContact CG1-CG 3.69Å; K67-V69 PolarHBondContact O-N 3.32Å; K67-L70 PolarHBondContact O-N 3.1Å; K67-A71 VanDerWaalsContact O-CB 3.25Å; K67-A71 WeakPolarHBondContact O-CB 3.5Å; K67-A71 PolarHBondContact O-N 3.19Å; K67-F81 HydrophobicContact CB-CD2 3.66Å; K67-F81 HydrophobicContact CB-CE2 3.86Å; K67-F81 HydrophobicContact CB-CG 4.17Å; K67-F81 HydrophobicContact CD-CD1 4.28Å; K67-F81 HydrophobicContact CD-CG 4.28Å; K67-F81 HydrophobicContact CG-CD1 4.25Å; K67-F81 HydrophobicContact CG-CD2 3.93Å; K67-F81 HydrophobicContact CG-CE1 4.24Å; K67-F81 HydrophobicContact CG-CE2 3.92Å; K67-F81 HydrophobicContact CG-CG 4.12Å; K67-F81 HydrophobicContact CG-CZ 4.08Å; K67-S88 PolarHBondContact NZ-O 3.44Å
68	A	93.9	Very high	93.7	Very high	72 Å²	72	57.6 Å²	57.6	60%	0.595	30%	0.302	S	S	*	.	H	α-helix	trans	-62.7	-38.5	-178.6	0	0	0	0	0	113.3	H66 A72	H66-A68 PolarHBondContact O-N 2.91Å; A68-A72 VanDerWaalsContact O-CB 3.28Å; A68-A72 WeakPolarHBondContact O-CB 3.48Å; A68-A72 PolarHBondContact O-N 2.93Å; A68-A72 VanDerWaalsContact O-N 3.1Å
69	V	95.5	Very high	93.6	Very high	15 Å²	15	59.8 Å²	59.8	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-69.6	-48.3	179.8	176.9	0	0	0	0	110	L42 H66 K67 A72 C73 A110 Y111	L42-V69 HydrophobicContact CB-CG2 4.48Å; L42-V69 HydrophobicContact CD1-CG2 4Å; L42-V69 HydrophobicContact CD2-CG2 4.05Å; L42-V69 HydrophobicContact CG-CG2 4.41Å; H66-V69 HydrophobicContact CB-CB 4.26Å; H66-V69 HydrophobicContact CB-CG2 3.89Å; H66-V69 PolarHBondContact O-N 3.3Å; H66-V69 VanDerWaalsContact O-N 3.16Å; K67-V69 PolarHBondContact O-N 3.32Å; V69-A72 WeakPolarHBondContact O-CB 3.25Å; V69-A72 PolarHBondContact O-N 3.09Å; V69-C73 PolarHBondContact O-N 3.28Å; V69-C73 PolarHBondContact O-SG 3.4Å; V69-C73 VanDerWaalsContact O-SG 3.4Å; V69-A110 HydrophobicContact CG1-CB 4.21Å; V69-A110 WeakPolarHBondContact CG1-O 3.42Å; V69-Y111 HydrophobicContact CB-CE1 4.12Å; V69-Y111 HydrophobicContact CB-CE2 4.46Å; V69-Y111 HydrophobicContact CG1-CD1 4.28Å; V69-Y111 HydrophobicContact CG1-CD2 4.39Å; V69-Y111 HydrophobicContact CG1-CE1 3.88Å; V69-Y111 HydrophobicContact CG1-CE2 3.98Å; V69-Y111 HydrophobicContact CG2-CE1 3.82Å
70	L	95	Very high	93.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-42.9	178.9	-68	-175.1	0	0	0	112.5	L56 V65 H66 K67 A72 C73 S74 F77 F81 A110	L56-L70 HydrophobicContact CD1-CD1 3.72Å; V65-L70 HydrophobicContact CB-CD1 4.15Å; V65-L70 HydrophobicContact CG2-CD1 3.52Å; V65-L70 HydrophobicContact CG2-CG 4.4Å; H66-L70 PolarHBondContact O-N 3.33Å; K67-L70 PolarHBondContact O-N 3.1Å; L70-A72 PolarHBondContact O-N 3.22Å; L70-C73 PolarHBondContact O-N 3.16Å; L70-S74 WeakPolarHBondContact O-CB 3.25Å; L70-S74 PolarHBondContact O-N 2.81Å; L70-F77 HydrophobicContact CB-CB 3.96Å; L70-F77 HydrophobicContact CB-CD2 3.74Å; L70-F77 HydrophobicContact CB-CE2 4.38Å; L70-F77 HydrophobicContact CB-CG 3.87Å; L70-F77 HydrophobicContact CD1-CD1 4.4Å; L70-F77 HydrophobicContact CD1-CD2 4.11Å; L70-F77 HydrophobicContact CD1-CE1 4.29Å; L70-F77 HydrophobicContact CD1-CE2 3.98Å; L70-F77 HydrophobicContact CD1-CG 4.32Å; L70-F77 HydrophobicContact CD1-CZ 4.08Å; L70-F77 HydrophobicContact CD2-CD2 4.33Å; L70-F77 HydrophobicContact CD2-CE2 4.25Å; L70-F77 HydrophobicContact CG-CD2 4.29Å; L70-F77 HydrophobicContact CG-CE2 4.45Å; L70-F81 HydrophobicContact CB-CE2 4.15Å; L70-A110 HydrophobicContact CD2-CB 4.07Å
71	A	94.2	Very high	94	Very high	14 Å²	14	46 Å²	46	12%	0.116	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-24.4	175.7	0	0	0	0	0	113.5	K67 R78 F81	K67-A71 VanDerWaalsContact O-CB 3.25Å; K67-A71 WeakPolarHBondContact O-CB 3.5Å; K67-A71 PolarHBondContact O-N 3.19Å; A71-R78 HydrophobicContact CB-CB 4.19Å; A71-R78 HydrophobicContact CB-CG 4.48Å; A71-R78 WeakPolarHBondContact O-CB 3.48Å; A71-F81 HydrophobicContact CB-CD2 4.15Å
72	A	93.5	Very high	93.7	Very high	82 Å²	82	46.2 Å²	46.2	68%	0.678	26%	0.259	S	S	*	.	H	α-helix	trans	-75.1	-32	177.4	0	0	0	0	0	112.5	A68 V69 L70	A68-A72 VanDerWaalsContact O-CB 3.28Å; A68-A72 WeakPolarHBondContact O-CB 3.48Å; A68-A72 PolarHBondContact O-N 2.93Å; A68-A72 VanDerWaalsContact O-N 3.1Å; V69-A72 WeakPolarHBondContact O-CB 3.25Å; V69-A72 PolarHBondContact O-N 3.09Å; L70-A72 PolarHBondContact O-N 3.22Å
73	C	92.4	Very high	92.9	Very high	45 Å²	45	42.9 Å²	42.9	30%	0.304	26%	0.259	S	S	.	.	H	α-helix	trans	-106.4	-13.7	-176.2	67.3	0	0	0	0	114.9	V69 L70 M134	V69-C73 PolarHBondContact O-N 3.28Å; V69-C73 PolarHBondContact O-SG 3.4Å; V69-C73 VanDerWaalsContact O-SG 3.4Å; L70-C73 PolarHBondContact O-N 3.16Å; C73-M134 HydrophobicContact CB-CE 4.03Å; C73-M134 HydrophobicContact CB-SD 4.34Å
74	S	95.6	Very high	91.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	29%	0.288	C	S	.	.			trans	-129.5	124.2	-177.8	166.6	0	0	0	0	111.5	L70 Y76 F77 R78 L132 M134	L70-S74 WeakPolarHBondContact O-CB 3.25Å; L70-S74 PolarHBondContact O-N 2.81Å; S74-Y76 VanDerWaalsContact C-N 3.29Å; S74-Y76 PolarHBondContact O-N 3.28Å; S74-Y76 PolarHBondContact OG-N 3.09Å; S74-F77 PolarHBondContact O-N 3.44Å; S74-F77 WeakPolarHBondContact OG-CD2 3.42Å; S74-F77 PolarHBondContact OG-N 3.28Å; S74-F77 VanDerWaalsContact OG-N 3.16Å; S74-R78 WeakPolarHBondContact O-CB 3.45Å; S74-R78 PolarHBondContact O-N 3.08Å; S74-L132 WeakPolarHBondContact CB-O 3.43Å; S74-L132 PolarHBondContact OG-O 3.07Å; S74-M134 VanDerWaalsContact CB-SD 3.59Å
75	D	93.6	Very high	90.9	Very high	76 Å²	76	43.6 Å²	43.6	41%	0.406	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-32.5	175.3	-77.4	10	0	0	0	112.1	R78 A79 Q133	D75-R78 PolarHBondContact O-N 3.06Å; D75-R78 IonicContact OD1-CZ 3.17Å; D75-R78 IonicContact OD1-NH1 2.71Å; D75-R78 PolarHBondContact OD1-NH1 3.28Å; D75-R78 IonicContact OD1-NH2 2.99Å; D75-R78 PolarHBondContact OD1-NH2 3.01Å; D75-R78 IonicContact OD2-NH2 3.01Å; D75-R78 PolarHBondContact OD2-NH2 3.23Å; D75-A79 WeakPolarHBondContact O-CB 3.39Å; D75-A79 PolarHBondContact O-N 3.17Å; D75-Q133 HydrophobicContact CB-CB 4.4Å; D75-Q133 VanDerWaalsContact CB-OE1 3.28Å
76	Y	94.3	Very high	89.9	Confident	61 Å²	61	53.1 Å²	53.1	24%	0.239	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-52.7	173.5	175.8	-94.3	0	0	0	111.4	S74 R78 A79 M80 L95 F131 L132	S74-Y76 VanDerWaalsContact C-N 3.29Å; S74-Y76 PolarHBondContact O-N 3.28Å; S74-Y76 PolarHBondContact OG-N 3.09Å; Y76-R78 VanDerWaalsContact C-N 3.34Å; Y76-R78 PolarHBondContact O-N 3.38Å; Y76-A79 PolarHBondContact O-N 3.43Å; Y76-M80 HydrophobicContact CD1-CE 4.28Å; Y76-M80 HydrophobicContact CE1-CE 3.31Å; Y76-M80 HydrophobicContact CE1-SD 4.49Å; Y76-M80 HydrophobicContact CE2-CE 4.45Å; Y76-M80 VanDerWaalsContact CZ-CE 3.42Å; Y76-M80 WeakPolarHBondContact O-CB 3.28Å; Y76-M80 PolarHBondContact O-N 2.59Å; Y76-M80 WeakPolarHBondContact OH-CE 3.39Å; Y76-L95 HydrophobicContact CE1-CD2 4.16Å; Y76-F131 HydrophobicContact CE1-CE1 4.3Å; Y76-F131 HydrophobicContact CE2-CE1 4.21Å; Y76-F131 AromaticContact CZ-CE1 3.84Å; Y76-L132 HydrophobicContact CD1-CD2 3.6Å; Y76-L132 HydrophobicContact CE1-CD2 3.76Å; Y76-L132 HydrophobicContact CG-CD2 4.4Å
77	F	93.9	Very high	89	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-68.6	-34.7	178.2	-73.4	-58.1	0	0	0	112.1	L56 L70 S74 A79 M80 F81 L95 L132	L56-F77 HydrophobicContact CD1-CE1 3.98Å; L56-F77 HydrophobicContact CD1-CZ 3.7Å; L56-F77 HydrophobicContact CD2-CE1 4.07Å; L70-F77 HydrophobicContact CB-CB 3.96Å; L70-F77 HydrophobicContact CB-CD2 3.74Å; L70-F77 HydrophobicContact CB-CE2 4.38Å; L70-F77 HydrophobicContact CB-CG 3.87Å; L70-F77 HydrophobicContact CD1-CD1 4.4Å; L70-F77 HydrophobicContact CD1-CD2 4.11Å; L70-F77 HydrophobicContact CD1-CE1 4.29Å; L70-F77 HydrophobicContact CD1-CE2 3.98Å; L70-F77 HydrophobicContact CD1-CG 4.32Å; L70-F77 HydrophobicContact CD1-CZ 4.08Å; L70-F77 HydrophobicContact CD2-CD2 4.33Å; L70-F77 HydrophobicContact CD2-CE2 4.25Å; L70-F77 HydrophobicContact CG-CD2 4.29Å; L70-F77 HydrophobicContact CG-CE2 4.45Å; S74-F77 PolarHBondContact O-N 3.44Å; S74-F77 WeakPolarHBondContact OG-CD2 3.42Å; S74-F77 PolarHBondContact OG-N 3.28Å; S74-F77 VanDerWaalsContact OG-N 3.16Å; F77-A79 PolarHBondContact O-N 3Å; F77-M80 HydrophobicContact CD1-SD 4.25Å; F77-M80 PolarHBondContact O-N 2.89Å; F77-F81 HydrophobicContact CB-CD2 4.21Å; F77-F81 HydrophobicContact CB-CE2 3.8Å; F77-F81 HydrophobicContact CB-CZ 4.34Å; F77-F81 HydrophobicContact CD1-CE1 4.39Å; F77-F81 AromaticContact CD1-CE2 3.96Å; F77-F81 HydrophobicContact CD1-CE2 3.96Å; F77-F81 AromaticContact CD1-CZ 3.64Å; F77-F81 HydrophobicContact CD1-CZ 3.64Å; F77-F81 HydrophobicContact CE1-CZ 4.36Å; F77-F81 HydrophobicContact CG-CE2 4.16Å; F77-F81 HydrophobicContact CG-CZ 4.31Å; F77-F81 WeakPolarHBondContact O-CB 3.39Å; F77-F81 VanDerWaalsContact O-CD2 3.28Å; F77-F81 WeakPolarHBondContact O-CD2 3.45Å; F77-F81 VanDerWaalsContact O-CG 3.31Å; F77-F81 WeakPolarHBondContact O-CG 3.32Å; F77-F81 PolarHBondContact O-N 2.82Å; F77-L95 HydrophobicContact CE1-CD1 4.27Å; F77-L95 HydrophobicContact CZ-CD1 4.12Å; F77-L132 HydrophobicContact CE1-CD2 4.29Å; F77-L132 HydrophobicContact CE2-CB 4.44Å; F77-L132 HydrophobicContact CE2-CD1 4.03Å; F77-L132 HydrophobicContact CE2-CD2 3.67Å; F77-L132 HydrophobicContact CE2-CG 4.26Å; F77-L132 HydrophobicContact CZ-CD1 4.26Å; F77-L132 HydrophobicContact CZ-CD2 3.54Å; F77-L132 HydrophobicContact CZ-CG 4.48Å
78	R	93.4	Very high	88.1	Confident	110 Å²	110	54.9 Å²	54.9	42%	0.415	33%	0.329	S	S	.	.	H	α-helix	trans	-58.6	-49.9	173.4	-169.2	166.9	67.9	-125.8	-0.5	110.7	A71 S74 D75 Y76 T82	A71-R78 HydrophobicContact CB-CB 4.19Å; A71-R78 HydrophobicContact CB-CG 4.48Å; A71-R78 WeakPolarHBondContact O-CB 3.48Å; S74-R78 WeakPolarHBondContact O-CB 3.45Å; S74-R78 PolarHBondContact O-N 3.08Å; D75-R78 PolarHBondContact O-N 3.06Å; D75-R78 IonicContact OD1-CZ 3.17Å; D75-R78 IonicContact OD1-NH1 2.71Å; D75-R78 PolarHBondContact OD1-NH1 3.28Å; D75-R78 IonicContact OD1-NH2 2.99Å; D75-R78 PolarHBondContact OD1-NH2 3.01Å; D75-R78 IonicContact OD2-NH2 3.01Å; D75-R78 PolarHBondContact OD2-NH2 3.23Å; Y76-R78 VanDerWaalsContact C-N 3.34Å; Y76-R78 PolarHBondContact O-N 3.38Å; R78-T82 WeakPolarHBondContact O-CB 3.25Å; R78-T82 PolarHBondContact O-N 2.91Å; R78-T82 PolarHBondContact O-OG1 3.48Å
79	A	91.3	Very high	87.4	Confident	45 Å²	45	58.2 Å²	58.2	37%	0.372	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-46.8	176.2	0	0	0	0	0	111.3	D75 Y76 F77 F81 G83 M85	D75-A79 WeakPolarHBondContact O-CB 3.39Å; D75-A79 PolarHBondContact O-N 3.17Å; Y76-A79 PolarHBondContact O-N 3.43Å; F77-A79 PolarHBondContact O-N 3Å; A79-F81 PolarHBondContact O-N 3.3Å; A79-G83 WeakPolarHBondContact O-CA 3.43Å; A79-G83 PolarHBondContact O-N 3.38Å; A79-M85 VanDerWaalsContact C-CE 3.46Å; A79-M85 HydrophobicContact CB-CE 3.99Å; A79-M85 WeakPolarHBondContact O-CE 3.09Å
80	M	90.6	Very high	86.9	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.039	35%	0.346	C	S	.	.	H	α-helix	trans	-58.5	-45.6	-179.6	-176.3	-178	-74.9	0	0	113	Y76 F77 M85 E87 I93 L95	Y76-M80 HydrophobicContact CD1-CE 4.28Å; Y76-M80 HydrophobicContact CE1-CE 3.31Å; Y76-M80 HydrophobicContact CE1-SD 4.49Å; Y76-M80 HydrophobicContact CE2-CE 4.45Å; Y76-M80 VanDerWaalsContact CZ-CE 3.42Å; Y76-M80 WeakPolarHBondContact O-CB 3.28Å; Y76-M80 PolarHBondContact O-N 2.59Å; Y76-M80 WeakPolarHBondContact OH-CE 3.39Å; F77-M80 HydrophobicContact CD1-SD 4.25Å; F77-M80 PolarHBondContact O-N 2.89Å; M80-M85 HydrophobicContact CB-CE 4.46Å; M80-M85 HydrophobicContact CB-SD 4.44Å; M80-E87 HydrophobicContact CG-CB 3.83Å; M80-E87 HydrophobicContact SD-CB 4.23Å; M80-I93 HydrophobicContact CE-CG2 4.42Å; M80-I93 HydrophobicContact SD-CD1 3.88Å; M80-I93 HydrophobicContact SD-CG2 3.98Å; M80-L95 HydrophobicContact CE-CD2 4.1Å
81	F	90.7	Very high	86.4	Confident	25 Å²	25	66.4 Å²	66.4	11%	0.11	38%	0.378	C	S	.	.	H	α-helix	trans	-85.3	-27	-174.3	-58.1	-29.7	0	0	0	113.6	V54 K67 L70 A71 F77 A79 I93	V54-F81 HydrophobicContact CG1-CZ 4.4Å; K67-F81 HydrophobicContact CB-CD2 3.66Å; K67-F81 HydrophobicContact CB-CE2 3.86Å; K67-F81 HydrophobicContact CB-CG 4.17Å; K67-F81 HydrophobicContact CD-CD1 4.28Å; K67-F81 HydrophobicContact CD-CG 4.28Å; K67-F81 HydrophobicContact CG-CD1 4.25Å; K67-F81 HydrophobicContact CG-CD2 3.93Å; K67-F81 HydrophobicContact CG-CE1 4.24Å; K67-F81 HydrophobicContact CG-CE2 3.92Å; K67-F81 HydrophobicContact CG-CG 4.12Å; K67-F81 HydrophobicContact CG-CZ 4.08Å; L70-F81 HydrophobicContact CB-CE2 4.15Å; A71-F81 HydrophobicContact CB-CD2 4.15Å; F77-F81 HydrophobicContact CB-CD2 4.21Å; F77-F81 HydrophobicContact CB-CE2 3.8Å; F77-F81 HydrophobicContact CB-CZ 4.34Å; F77-F81 HydrophobicContact CD1-CE1 4.39Å; F77-F81 AromaticContact CD1-CE2 3.96Å; F77-F81 HydrophobicContact CD1-CE2 3.96Å; F77-F81 AromaticContact CD1-CZ 3.64Å; F77-F81 HydrophobicContact CD1-CZ 3.64Å; F77-F81 HydrophobicContact CE1-CZ 4.36Å; F77-F81 HydrophobicContact CG-CE2 4.16Å; F77-F81 HydrophobicContact CG-CZ 4.31Å; F77-F81 WeakPolarHBondContact O-CB 3.39Å; F77-F81 VanDerWaalsContact O-CD2 3.28Å; F77-F81 WeakPolarHBondContact O-CD2 3.45Å; F77-F81 VanDerWaalsContact O-CG 3.31Å; F77-F81 WeakPolarHBondContact O-CG 3.32Å; F77-F81 PolarHBondContact O-N 2.82Å; A79-F81 PolarHBondContact O-N 3.3Å; F81-I93 HydrophobicContact CD1-CD1 4.41Å; F81-I93 HydrophobicContact CE1-CD1 3.59Å; F81-I93 HydrophobicContact CZ-CD1 4.48Å
82	T	87.3	Confident	86.2	Confident	106 Å²	106	69.2 Å²	69.2	65%	0.65	39%	0.394	S	S	*	.	H	α-helix	trans	-110	-14.4	-174.9	69.7	0	0	0	0	114.2	R78 G84	R78-T82 WeakPolarHBondContact O-CB 3.25Å; R78-T82 PolarHBondContact O-N 2.91Å; R78-T82 PolarHBondContact O-OG1 3.48Å; T82-G84 VanDerWaalsContact C-N 3.33Å; T82-G84 PolarHBondContact O-N 3.2Å
83	G	77.3	Confident	86.2	Confident	56 Å²	56	65.4 Å²	65.4	58%	0.577	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	7.2	-174.8	0	0	0	0	0	115.8	A79 M85	A79-G83 WeakPolarHBondContact O-CA 3.43Å; A79-G83 PolarHBondContact O-N 3.38Å; G83-M85 VanDerWaalsContact C-N 3.34Å; G83-M85 PolarHBondContact O-N 3.29Å
84	G	73.6	Confident	86.1	Confident	67 Å²	67	69.4 Å²	69.4	69%	0.691	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	21.6	179.4	0	0	0	0	0	114.9	T82	T82-G84 VanDerWaalsContact C-N 3.33Å; T82-G84 PolarHBondContact O-N 3.2Å
85	M	76.8	Confident	85.9	Confident	80 Å²	80	69.7 Å²	69.7	39%	0.394	38%	0.378	S	S	.	.			trans	-69.2	160.6	174.3	-54.7	-170.4	-152.5	0	0	111.3	A79 M80 G83 E87 S88	A79-M85 VanDerWaalsContact C-CE 3.46Å; A79-M85 HydrophobicContact CB-CE 3.99Å; A79-M85 WeakPolarHBondContact O-CE 3.09Å; M80-M85 HydrophobicContact CB-CE 4.46Å; M80-M85 HydrophobicContact CB-SD 4.44Å; G83-M85 VanDerWaalsContact C-N 3.34Å; G83-M85 PolarHBondContact O-N 3.29Å; M85-E87 VanDerWaalsContact CB-OE2 3.29Å; M85-E87 WeakPolarHBondContact CB-OE2 3.21Å; M85-E87 PolarHBondContact O-N 3.07Å; M85-S88 WeakPolarHBondContact O-CB 3.2Å; M85-S88 PolarHBondContact O-N 3.43Å; M85-S88 VanDerWaalsContact O-N 3.08Å; M85-S88 PolarHBondContact O-OG 2.83Å
86	R	74.4	Confident	85.7	Confident	199 Å²	199	73 Å²	73	75%	0.751	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-60.4	-34	-179.3	-176.4	179.3	176.1	-172.3	-3.9	111.7	S88 N89	R86-S88 PolarHBondContact O-N 2.9Å; R86-N89 PolarHBondContact O-N 3.23Å
87	E	77	Confident	85.2	Confident	67 Å²	67	74 Å²	74	31%	0.313	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-61.2	-26.3	178.7	-66.2	76.6	-174	0	0	112.1	M80 M85 N89 Q90 I93	M80-E87 HydrophobicContact CG-CB 3.83Å; M80-E87 HydrophobicContact SD-CB 4.23Å; M85-E87 VanDerWaalsContact CB-OE2 3.29Å; M85-E87 WeakPolarHBondContact CB-OE2 3.21Å; M85-E87 PolarHBondContact O-N 3.07Å; E87-N89 PolarHBondContact O-N 3.37Å; E87-Q90 PolarHBondContact O-N 3.32Å; E87-I93 HydrophobicContact CB-CD1 4.12Å; E87-I93 HydrophobicContact CB-CG1 4.33Å; E87-I93 HydrophobicContact CG-CG2 4.27Å
88	S	75.8	Confident	85.1	Confident	23 Å²	23	74.5 Å²	74.5	16%	0.161	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-62.3	-29.2	178.4	74.8	0	0	0	0	112.4	K67 M85 R86	K67-S88 PolarHBondContact NZ-O 3.44Å; M85-S88 WeakPolarHBondContact O-CB 3.2Å; M85-S88 PolarHBondContact O-N 3.43Å; M85-S88 VanDerWaalsContact O-N 3.08Å; M85-S88 PolarHBondContact O-OG 2.83Å; R86-S88 PolarHBondContact O-N 2.9Å
89	N	79.1	Confident	85.1	Confident	141 Å²	141	70.8 Å²	70.8	75%	0.754	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-100.7	7.4	-177.5	-59.4	-32.5	0	0	0	113.1	R86 E87	R86-N89 PolarHBondContact O-N 3.23Å; E87-N89 PolarHBondContact O-N 3.37Å
90	Q	84.4	Confident	85.3	Confident	60 Å²	60	69.1 Å²	69.1	28%	0.28	40%	0.397	S	S	.	.			trans	-98.3	142.9	177.6	-68.6	177.9	-12.9	0	0	111	E87 I93	E87-Q90 PolarHBondContact O-N 3.32Å; Q90-I93 HydrophobicContact CB-CG1 4.32Å
91	D	84.9	Confident	85.5	Confident	129 Å²	129	73.4 Å²	73.4	69%	0.69	41%	0.413	S	S	*	.	S	Bend	trans	-83	-23	173.5	-61.8	-29	0	0	0	111.6	V55	V55-D91 PolarHBondContact N-O 3.03Å
92	T	91.4	Very high	85.7	Confident	72 Å²	72	72.2 Å²	72.2	44%	0.442	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.3	176.6	-56.1	0	0	0	0	110.1	V55 A57	V55-T92 HydrophobicContact CB-CG2 4.27Å; V55-T92 HydrophobicContact CG1-CG2 4.41Å; V55-T92 CarbonylContact O-C 3.57Å; V55-T92 VanDerWaalsContact O-CA 3.27Å; V55-T92 WeakPolarHBondContact O-CA 3.46Å; A57-T92 HydrophobicContact CB-CG2 4.07Å
93	I	92.1	Very high	86.1	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.015	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.1	-177.5	-60.3	172.1	0	0	0	108.5	V54 V55 L56 A57 M80 F81 E87 Q90 L95	V54-I93 HydrophobicContact CG2-CD1 3.66Å; V54-I93 HydrophobicContact CG2-CG1 4.07Å; V55-I93 PolarHBondContact O-N 3.27Å; L56-I93 HydrophobicContact CD2-CB 4.18Å; A57-I93 PolarHBondContact N-O 2.95Å; M80-I93 HydrophobicContact CE-CG2 4.42Å; M80-I93 HydrophobicContact SD-CD1 3.88Å; M80-I93 HydrophobicContact SD-CG2 3.98Å; F81-I93 HydrophobicContact CD1-CD1 4.41Å; F81-I93 HydrophobicContact CE1-CD1 3.59Å; F81-I93 HydrophobicContact CZ-CD1 4.48Å; E87-I93 HydrophobicContact CB-CD1 4.12Å; E87-I93 HydrophobicContact CB-CG1 4.33Å; E87-I93 HydrophobicContact CG-CG2 4.27Å; Q90-I93 HydrophobicContact CB-CG1 4.32Å; I93-L95 HydrophobicContact CG2-CD2 4.18Å
94	E	90.9	Very high	86.9	Confident	128 Å²	128	69.6 Å²	69.6	60%	0.598	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.6	176.4	-167.7	-169.9	171.7	0	0	109.9	A57 K96	A57-E94 CarbonylContact O-C 3.56Å; A57-E94 WeakPolarHBondContact O-CA 3.34Å; E94-K96 VanDerWaalsContact CD-CE 3.41Å; E94-K96 VanDerWaalsContact OE1-CE 3.22Å; E94-K96 WeakPolarHBondContact OE1-CE 3.45Å; E94-K96 IonicContact OE1-NZ 3.89Å; E94-K96 WeakPolarHBondContact OE2-CE 3.3Å; E94-K96 IonicContact OE2-NZ 3.81Å
95	L	91.6	Very high	87.9	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.031	35%	0.347	C	S	.	.			trans	-96.9	117.9	175.8	-63.1	176.3	0	0	0	109.3	L56 A57 V58 Y76 F77 M80 I93 L98 L103	L56-L95 HydrophobicContact CB-CD1 4.35Å; L56-L95 HydrophobicContact CD1-CD1 4.13Å; L56-L95 HydrophobicContact CD2-CD1 4.21Å; L56-L95 HydrophobicContact CG-CD1 4.47Å; A57-L95 PolarHBondContact O-N 3.04Å; V58-L95 HydrophobicContact CG2-CB 3.81Å; Y76-L95 HydrophobicContact CE1-CD2 4.16Å; F77-L95 HydrophobicContact CE1-CD1 4.27Å; F77-L95 HydrophobicContact CZ-CD1 4.12Å; M80-L95 HydrophobicContact CE-CD2 4.1Å; I93-L95 HydrophobicContact CG2-CD2 4.18Å; L95-L98 HydrophobicContact CB-CD1 4.21Å; L95-L98 HydrophobicContact CD1-CD1 4.13Å; L95-L103 HydrophobicContact CD1-CD1 4.26Å; L95-L103 HydrophobicContact CD1-CD2 4.19Å
96	K	88.6	Confident	88.8	Confident	146 Å²	146	64.5 Å²	64.5	64%	0.635	33%	0.328	S	S	*	.			trans	-99	144.7	179.7	-60.1	-173.4	-178.7	-173.7	0	110.5	E94	E94-K96 VanDerWaalsContact CD-CE 3.41Å; E94-K96 VanDerWaalsContact OE1-CE 3.22Å; E94-K96 WeakPolarHBondContact OE1-CE 3.45Å; E94-K96 IonicContact OE1-NZ 3.89Å; E94-K96 WeakPolarHBondContact OE2-CE 3.3Å; E94-K96 IonicContact OE2-NZ 3.81Å
97	G	84.5	Confident	89.8	Confident	81 Å²	81	55 Å²	55	84%	0.835	29%	0.292	S	S	*	.	S	Bend	trans	84.8	11.1	176.8	0	0	0	0	0	115.2
98	L	91.7	Very high	90.7	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	29%	0.292	C	S	.	.			trans	-113.2	150.7	174.4	-68.8	179.8	0	0	0	110.9	V58 L95 A128 F131 L132	V58-L98 HydrophobicContact CG1-CB 4.45Å; V58-L98 WeakPolarHBondContact CG1-O 3.47Å; V58-L98 HydrophobicContact CG2-CB 4.39Å; L95-L98 HydrophobicContact CB-CD1 4.21Å; L95-L98 HydrophobicContact CD1-CD1 4.13Å; L98-A128 HydrophobicContact CD2-CB 4.06Å; L98-F131 HydrophobicContact CD1-CD1 3.7Å; L98-F131 HydrophobicContact CD1-CE1 3.93Å; L98-F131 HydrophobicContact CD2-CB 3.72Å; L98-F131 HydrophobicContact CD2-CD1 3.74Å; L98-F131 HydrophobicContact CD2-CG 3.74Å; L98-F131 HydrophobicContact CG-CD1 3.82Å; L98-F131 HydrophobicContact CG-CE1 4.12Å; L98-F131 HydrophobicContact CG-CG 4.22Å; L98-L132 HydrophobicContact CD1-CD1 4.16Å; L98-L132 HydrophobicContact CD1-CD2 4.07Å; L98-L132 HydrophobicContact CD1-CG 4.13Å
99	S	93.9	Very high	91.6	Very high	32 Å²	32	55.3 Å²	55.3	22%	0.224	29%	0.293	C	S	.	.			trans	-85.8	145.5	164.3	67.5	0	0	0	0	110.2	R101 G102 L103 D124	S99-R101 PolarHBondContact O-N 2.93Å; S99-G102 PolarHBondContact O-N 3.11Å; S99-G102 PolarHBondContact OG-N 3.19Å; S99-L103 PolarHBondContact O-N 3.28Å; S99-D124 WeakPolarHBondContact CB-OD1 3.2Å; S99-D124 VanDerWaalsContact OG-CB 3.31Å; S99-D124 WeakPolarHBondContact OG-CB 3.48Å; S99-D124 PolarHBondContact OG-OD1 3.22Å
100	A	94.4	Very high	92.4	Very high	9 Å²	9	49 Å²	49	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-35.1	177.5	0	0	0	0	0	111.6	V58 E61 F63 L103 K104	V58-A100 HydrophobicContact CG1-CB 4.38Å; E61-A100 HydrophobicContact CB-CB 3.91Å; E61-A100 HydrophobicContact CG-CB 3.99Å; E61-A100 VanDerWaalsContact OE1-CB 3.3Å; E61-A100 WeakPolarHBondContact OE1-CB 3.27Å; F63-A100 HydrophobicContact CE2-CB 4.36Å; F63-A100 HydrophobicContact CZ-CB 4.3Å; A100-L103 PolarHBondContact O-N 2.99Å; A100-K104 WeakPolarHBondContact O-CB 3.32Å; A100-K104 PolarHBondContact O-N 3.38Å
101	R	94.6	Very high	92.9	Very high	99 Å²	99	46.3 Å²	46.3	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-59.6	-51.5	173.2	-171.8	-178.7	-175.2	-171.7	4.2	111.6	S99 K104 H105 D118 D120 D124	S99-R101 PolarHBondContact O-N 2.93Å; R101-K104 WeakPolarHBondContact O-CB 3.47Å; R101-K104 PolarHBondContact O-N 3.27Å; R101-H105 PolarHBondContact O-CD2 2.95Å; R101-H105 PolarHBondContact O-N 3.44Å; R101-H105 VanDerWaalsContact O-N 3.17Å; R101-D118 IonicContact NH2-OD1 2.95Å; R101-D120 PolarHBondContact NH1-O 2.84Å; R101-D124 WeakPolarHBondContact CD-OD2 3.38Å; R101-D124 IonicContact NH1-OD2 3.22Å
102	G	94.8	Very high	93.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-47.7	178.4	0	0	0	0	0	111.9	S99 K104 H105 I106 D124 A128	S99-G102 PolarHBondContact O-N 3.11Å; S99-G102 PolarHBondContact OG-N 3.19Å; G102-K104 VanDerWaalsContact C-N 3.32Å; G102-K104 PolarHBondContact O-N 3.04Å; G102-H105 PolarHBondContact O-N 3.36Å; G102-I106 WeakPolarHBondContact O-CG1 3.36Å; G102-I106 PolarHBondContact O-N 3.45Å; G102-I106 VanDerWaalsContact O-N 3.13Å; G102-D124 WeakPolarHBondContact CA-O 3.41Å; G102-A128 VanDerWaalsContact C-CB 3.45Å
103	L	95.6	Very high	93.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-43.3	177.4	178.3	62	0	0	0	111.8	L56 V58 F63 L95 S99 A100 H105 I106 I107 L132	L56-L103 HydrophobicContact CB-CD2 4.19Å; L56-L103 HydrophobicContact CD1-CD1 4.23Å; L56-L103 HydrophobicContact CD1-CD2 4.48Å; V58-L103 HydrophobicContact CB-CD2 4.35Å; V58-L103 HydrophobicContact CG2-CD2 3.42Å; V58-L103 VanDerWaalsContact CG2-CD2 3.42Å; F63-L103 HydrophobicContact CD2-CD2 3.73Å; F63-L103 HydrophobicContact CD2-CG 4.4Å; F63-L103 HydrophobicContact CE2-CD2 3.99Å; L95-L103 HydrophobicContact CD1-CD1 4.26Å; L95-L103 HydrophobicContact CD1-CD2 4.19Å; S99-L103 PolarHBondContact O-N 3.28Å; A100-L103 PolarHBondContact O-N 2.99Å; L103-H105 PolarHBondContact O-N 3.49Å; L103-I106 PolarHBondContact O-N 3.45Å; L103-I107 HydrophobicContact CD1-CD1 3.92Å; L103-I107 HydrophobicContact CD1-CG1 4Å; L103-I107 HydrophobicContact CD2-CD1 4.26Å; L103-I107 HydrophobicContact CG-CD1 3.73Å; L103-I107 HydrophobicContact CG-CG1 4.24Å; L103-I107 VanDerWaalsContact O-CG1 3.32Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 2.98Å; L103-L132 HydrophobicContact CD1-CD1 3.76Å
104	K	94.8	Very high	93.3	Very high	107 Å²	107	47.8 Å²	47.8	47%	0.465	26%	0.262	S	S	.	.	H	α-helix	trans	-57.2	-47.6	177.7	-177.2	-179.1	176.7	-176.3	0	111.7	F63 A100 R101 G102 I106 I107 D108	F63-K104 HydrophobicContact CE1-CB 3.86Å; F63-K104 HydrophobicContact CE1-CG 4.14Å; F63-K104 HydrophobicContact CZ-CB 4.19Å; A100-K104 WeakPolarHBondContact O-CB 3.32Å; A100-K104 PolarHBondContact O-N 3.38Å; R101-K104 WeakPolarHBondContact O-CB 3.47Å; R101-K104 PolarHBondContact O-N 3.27Å; G102-K104 VanDerWaalsContact C-N 3.32Å; G102-K104 PolarHBondContact O-N 3.04Å; K104-I106 VanDerWaalsContact C-N 3.33Å; K104-I106 PolarHBondContact O-N 2.93Å; K104-I107 PolarHBondContact O-N 3.16Å; K104-D108 WeakPolarHBondContact O-CB 3.42Å; K104-D108 VanDerWaalsContact O-CG 3.25Å; K104-D108 PolarHBondContact O-N 3.23Å
105	H	95.2	Very high	93.4	Very high	38 Å²	38	43 Å²	43	18%	0.176	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-39.9	177.3	-79.8	-76.8	0	0	0	112.7	R101 G102 L103 D108 F109 V125	R101-H105 PolarHBondContact O-CD2 2.95Å; R101-H105 PolarHBondContact O-N 3.44Å; R101-H105 VanDerWaalsContact O-N 3.17Å; G102-H105 PolarHBondContact O-N 3.36Å; L103-H105 PolarHBondContact O-N 3.49Å; H105-D108 PolarHBondContact O-N 2.75Å; H105-F109 WeakPolarHBondContact O-CB 3.38Å; H105-F109 PolarHBondContact O-N 3.27Å; H105-V125 HydrophobicContact CB-CG1 4.34Å; H105-V125 HydrophobicContact CB-CG2 3.77Å
106	I	96.1	Very high	93.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-41.6	176.8	-63.3	-55.1	0	0	0	111.9	G102 L103 K104 F109 A110 A128 A129 L132 M134 V137	G102-I106 WeakPolarHBondContact O-CG1 3.36Å; G102-I106 PolarHBondContact O-N 3.45Å; G102-I106 VanDerWaalsContact O-N 3.13Å; L103-I106 PolarHBondContact O-N 3.45Å; K104-I106 VanDerWaalsContact C-N 3.33Å; K104-I106 PolarHBondContact O-N 2.93Å; I106-F109 WeakPolarHBondContact O-CB 3.3Å; I106-A110 PolarHBondContact O-N 3.5Å; I106-A110 VanDerWaalsContact O-N 3.07Å; I106-A128 HydrophobicContact CG1-CB 3.66Å; I106-A129 HydrophobicContact CD1-CB 3.82Å; I106-L132 HydrophobicContact CB-CD1 4.19Å; I106-L132 HydrophobicContact CG1-CD1 4.33Å; I106-L132 HydrophobicContact CG2-CD1 3.77Å; I106-M134 HydrophobicContact CD1-CB 4.41Å; I106-M134 HydrophobicContact CD1-CG 4.43Å; I106-M134 HydrophobicContact CG2-CE 4.2Å; I106-M134 HydrophobicContact CG2-CG 3.67Å; I106-M134 HydrophobicContact CG2-SD 4.32Å; I106-V137 HydrophobicContact CD1-CB 4.28Å; I106-V137 HydrophobicContact CD1-CG1 3.88Å; I106-V137 HydrophobicContact CD1-CG2 4.3Å
107	I	95.3	Very high	93.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.1	-46.3	176.2	-62.9	168.5	0	0	0	109.4	R46 L56 F63 V65 L103 K104 F109 A110 Y111	R46-I107 VanDerWaalsContact NH2-CG2 3.27Å; L56-I107 HydrophobicContact CD1-CD1 4.25Å; F63-I107 HydrophobicContact CB-CD1 3.58Å; F63-I107 HydrophobicContact CD1-CD1 4.07Å; F63-I107 HydrophobicContact CD2-CD1 4.44Å; F63-I107 HydrophobicContact CG-CD1 3.78Å; V65-I107 HydrophobicContact CG1-CD1 3.97Å; V65-I107 HydrophobicContact CG1-CG1 4.32Å; V65-I107 HydrophobicContact CG1-CG2 3.56Å; L103-I107 HydrophobicContact CD1-CD1 3.92Å; L103-I107 HydrophobicContact CD1-CG1 4Å; L103-I107 HydrophobicContact CD2-CD1 4.26Å; L103-I107 HydrophobicContact CG-CD1 3.73Å; L103-I107 HydrophobicContact CG-CG1 4.24Å; L103-I107 VanDerWaalsContact O-CG1 3.32Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 2.98Å; K104-I107 PolarHBondContact O-N 3.16Å; I107-F109 VanDerWaalsContact C-N 3.3Å; I107-F109 PolarHBondContact O-N 3.34Å; I107-A110 WeakPolarHBondContact O-CB 3.39Å; I107-A110 PolarHBondContact O-N 2.87Å; I107-Y111 HydrophobicContact CG2-CD2 4.02Å; I107-Y111 HydrophobicContact CG2-CE2 3.99Å; I107-Y111 VanDerWaalsContact O-CD2 3.3Å; I107-Y111 WeakPolarHBondContact O-CD2 3.43Å; I107-Y111 PolarHBondContact O-N 3.01Å
108	D	94.4	Very high	93.9	Very high	57 Å²	57	41.9 Å²	41.9	31%	0.305	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-42.8	-179.4	-69.3	-15.6	0	0	0	110.6	R46 K104 H105 A110 Y111 S112	R46-D108 IonicContact CZ-OD1 2.7Å; R46-D108 IonicContact NH1-OD1 3.68Å; R46-D108 PolarHBondContact NH1-OD1 3.46Å; R46-D108 IonicContact NH2-OD1 3.81Å; K104-D108 WeakPolarHBondContact O-CB 3.42Å; K104-D108 VanDerWaalsContact O-CG 3.25Å; K104-D108 PolarHBondContact O-N 3.23Å; H105-D108 PolarHBondContact O-N 2.75Å; D108-A110 VanDerWaalsContact C-N 3.33Å; D108-A110 PolarHBondContact O-N 2.93Å; D108-Y111 CarbonylContact O-C 3.5Å; D108-Y111 PolarHBondContact O-N 3.16Å; D108-S112 WeakPolarHBondContact O-CB 3.34Å; D108-S112 PolarHBondContact O-N 3.49Å; D108-S112 PolarHBondContact O-OG 2.99Å
109	F	95.5	Very high	93.7	Very high	39 Å²	39	45.9 Å²	45.9	17%	0.171	25%	0.248	C	C	.	.	H	α-helix	trans	-53.8	-45.2	170.2	179.2	-107.2	0	0	0	113.3	H105 I106 I107 Y111 S112 S113 V115 M134 P136 V137	H105-F109 WeakPolarHBondContact O-CB 3.38Å; H105-F109 PolarHBondContact O-N 3.27Å; I106-F109 WeakPolarHBondContact O-CB 3.3Å; I107-F109 VanDerWaalsContact C-N 3.3Å; I107-F109 PolarHBondContact O-N 3.34Å; F109-Y111 PolarHBondContact O-N 2.67Å; F109-Y111 VanDerWaalsContact O-N 3.11Å; F109-S112 PolarHBondContact O-N 3.04Å; F109-S113 WeakPolarHBondContact O-CA 3.45Å; F109-S113 PolarHBondContact O-N 3.4Å; F109-V115 HydrophobicContact CB-CG2 3.5Å; F109-V115 VanDerWaalsContact CB-CG2 3.5Å; F109-V115 HydrophobicContact CD2-CB 4.46Å; F109-V115 HydrophobicContact CD2-CG2 3.63Å; F109-V115 HydrophobicContact CG-CG2 3.82Å; F109-M134 HydrophobicContact CD1-CE 3.37Å; F109-M134 HydrophobicContact CE1-CE 3.6Å; F109-P136 HydrophobicContact CZ-CB 4.3Å; F109-V137 HydrophobicContact CD1-CG2 3.53Å; F109-V137 HydrophobicContact CD2-CG2 4.11Å; F109-V137 HydrophobicContact CE1-CG2 3.59Å; F109-V137 HydrophobicContact CE2-CG2 4.15Å; F109-V137 HydrophobicContact CG-CG2 3.78Å; F109-V137 HydrophobicContact CZ-CG2 3.9Å
110	A	95.4	Very high	93.6	Very high	10 Å²	10	50.7 Å²	50.7	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-21.4	-179.6	0	0	0	0	0	113	L39 V69 L70 I106 I107 D108	L39-A110 WeakPolarHBondContact CD1-O 3.34Å; V69-A110 HydrophobicContact CG1-CB 4.21Å; V69-A110 WeakPolarHBondContact CG1-O 3.42Å; L70-A110 HydrophobicContact CD2-CB 4.07Å; I106-A110 PolarHBondContact O-N 3.5Å; I106-A110 VanDerWaalsContact O-N 3.07Å; I107-A110 WeakPolarHBondContact O-CB 3.39Å; I107-A110 PolarHBondContact O-N 2.87Å; D108-A110 VanDerWaalsContact C-N 3.33Å; D108-A110 PolarHBondContact O-N 2.93Å
111	Y	95.3	Very high	93.5	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-109.8	-15.6	179	-73.1	-84.8	0	0	0	114.6	L39 L42 R46 H66 V69 I107 D108 F109	L39-Y111 WeakPolarHBondContact CG-O 3.19Å; L42-Y111 HydrophobicContact CB-CD1 4.16Å; L42-Y111 HydrophobicContact CB-CE1 4.2Å; R46-Y111 HydrophobicContact CB-CD1 4.34Å; R46-Y111 HydrophobicContact CB-CE1 4.07Å; R46-Y111 VanDerWaalsContact CD-CE2 3.48Å; H66-Y111 VanDerWaalsContact CB-OH 3.25Å; H66-Y111 WeakPolarHBondContact CB-OH 3.49Å; H66-Y111 PolarHBondContact N-OH 3.33Å; H66-Y111 AromaticContact ND1-CE1 3.51Å; H66-Y111 AromaticContact ND1-CZ 3.52Å; H66-Y111 PolarHBondContact ND1-OH 3.39Å; V69-Y111 HydrophobicContact CB-CE1 4.12Å; V69-Y111 HydrophobicContact CB-CE2 4.46Å; V69-Y111 HydrophobicContact CG1-CD1 4.28Å; V69-Y111 HydrophobicContact CG1-CD2 4.39Å; V69-Y111 HydrophobicContact CG1-CE1 3.88Å; V69-Y111 HydrophobicContact CG1-CE2 3.98Å; V69-Y111 HydrophobicContact CG2-CE1 3.82Å; I107-Y111 HydrophobicContact CG2-CD2 4.02Å; I107-Y111 HydrophobicContact CG2-CE2 3.99Å; I107-Y111 VanDerWaalsContact O-CD2 3.3Å; I107-Y111 WeakPolarHBondContact O-CD2 3.43Å; I107-Y111 PolarHBondContact O-N 3.01Å; D108-Y111 CarbonylContact O-C 3.5Å; D108-Y111 PolarHBondContact O-N 3.16Å; F109-Y111 PolarHBondContact O-N 2.67Å; F109-Y111 VanDerWaalsContact O-N 3.11Å
112	S	93.1	Very high	93.5	Very high	44 Å²	44	45.8 Å²	45.8	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-113.8	-21.9	-178.1	66.2	0	0	0	0	113.8	D108 F109 D114	D108-S112 WeakPolarHBondContact O-CB 3.34Å; D108-S112 PolarHBondContact O-N 3.49Å; D108-S112 PolarHBondContact O-OG 2.99Å; F109-S112 PolarHBondContact O-N 3.04Å; S112-D114 PolarHBondContact O-N 3.24Å; S112-D114 PolarHBondContact OG-N 2.92Å; S112-D114 PolarHBondContact OG-O 3.44Å
113	S	91.3	Very high	93.5	Very high	75 Å²	75	50.8 Å²	50.8	52%	0.524	28%	0.275	S	S	.	.	S	Bend	trans	60	13	-162.8	62.6	0	0	0	0	115.3	F109	F109-S113 WeakPolarHBondContact O-CA 3.45Å; F109-S113 PolarHBondContact O-N 3.4Å
114	D	91.4	Very high	93.5	Very high	116 Å²	116	53.2 Å²	53.2	62%	0.62	29%	0.288	S	S	*	.			trans	-122.9	137.1	-177.4	-67	-49.6	0	0	0	111.4	S112	S112-D114 PolarHBondContact O-N 3.24Å; S112-D114 PolarHBondContact OG-N 2.92Å; S112-D114 PolarHBondContact OG-O 3.44Å
115	V	93.3	Very high	93.6	Very high	27 Å²	27	48.1 Å²	48.1	16%	0.164	27%	0.266	C	S	.	.			trans	-132.5	131.2	171.6	162.1	0	0	0	0	109.7	F109 L117 V125 L140	F109-V115 HydrophobicContact CB-CG2 3.5Å; F109-V115 VanDerWaalsContact CB-CG2 3.5Å; F109-V115 HydrophobicContact CD2-CB 4.46Å; F109-V115 HydrophobicContact CD2-CG2 3.63Å; F109-V115 HydrophobicContact CG-CG2 3.82Å; V115-L117 HydrophobicContact CG1-CD2 3.48Å; V115-L117 VanDerWaalsContact CG1-CD2 3.48Å; V115-L117 HydrophobicContact CG1-CG 3.82Å; V115-V125 HydrophobicContact CG1-CG1 4.42Å; V115-L140 HydrophobicContact CB-CD2 4.22Å; V115-L140 HydrophobicContact CG1-CD2 4.32Å
116	T	91.4	Very high	93.6	Very high	108 Å²	108	46.3 Å²	46.3	66%	0.663	26%	0.257	S	S	*	.			trans	-101.1	123.7	171.8	53.8	0	0	0	0	109.6
117	L	93.3	Very high	93.6	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.178	27%	0.266	C	S	.	.			trans	-111.7	142.4	-179.7	-59.4	175.7	0	0	0	111	V115 I122 V125 L140 F144	V115-L117 HydrophobicContact CG1-CD2 3.48Å; V115-L117 VanDerWaalsContact CG1-CD2 3.48Å; V115-L117 HydrophobicContact CG1-CG 3.82Å; L117-I122 HydrophobicContact CB-CD1 4.41Å; L117-I122 HydrophobicContact CD1-CD1 3.87Å; L117-I122 HydrophobicContact CD2-CD1 3.95Å; L117-I122 HydrophobicContact CG-CD1 4.29Å; L117-V125 HydrophobicContact CD2-CB 4.09Å; L117-V125 HydrophobicContact CD2-CG1 3.79Å; L117-V125 HydrophobicContact CD2-CG2 4.3Å; L117-L140 HydrophobicContact CD1-CD2 4.17Å; L117-L140 HydrophobicContact CD1-CG 3.9Å; L117-F144 HydrophobicContact CB-CD1 4.22Å; L117-F144 HydrophobicContact CB-CD2 4.4Å; L117-F144 HydrophobicContact CB-CE1 4.38Å; L117-F144 HydrophobicContact CB-CG 4.22Å; L117-F144 HydrophobicContact CD1-CB 3.94Å; L117-F144 HydrophobicContact CD1-CD1 4.48Å; L117-F144 HydrophobicContact CD1-CG 4.21Å
118	D	91.6	Very high	93.6	Very high	67 Å²	67	47.1 Å²	47.1	36%	0.358	27%	0.266	S	S	.	.			trans	-141.1	169.1	168.7	59.5	50	0	0	0	109.2	R101 D120 C121 I122	R101-D118 IonicContact NH2-OD1 2.95Å; D118-D120 PolarHBondContact O-N 3.01Å; D118-D120 WeakPolarHBondContact OD1-CA 3.31Å; D118-D120 WeakPolarHBondContact OD1-CB 3.4Å; D118-D120 PolarHBondContact OD1-N 3.33Å; D118-C121 PolarHBondContact N-SG 3.05Å; D118-C121 VanDerWaalsContact N-SG 3.37Å; D118-C121 PolarHBondContact O-N 3.49Å; D118-C121 WeakPolarHBondContact OD1-CB 3.45Å; D118-C121 PolarHBondContact OD1-N 2.95Å; D118-C121 PolarHBondContact OD1-SG 3.19Å; D118-I122 VanDerWaalsContact O-CB 3.29Å; D118-I122 WeakPolarHBondContact O-CB 3.43Å; D118-I122 PolarHBondContact O-N 2.82Å
119	L	87.4	Confident	93.7	Very high	98 Å²	98	44.4 Å²	44.4	51%	0.513	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21	-178.7	-68.5	175.4	0	0	0	113.1	F144 A148	L119-F144 HydrophobicContact CD2-CE1 4.18Å; L119-F144 HydrophobicContact CD2-CZ 4.48Å; L119-A148 HydrophobicContact CD2-CB 4.15Å
120	D	90.7	Very high	93.7	Very high	132 Å²	132	45 Å²	45	71%	0.706	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-27.6	-179	-61.4	-30.6	0	0	0	112.1	R101 D118	R101-D120 PolarHBondContact NH1-O 2.84Å; D118-D120 PolarHBondContact O-N 3.01Å; D118-D120 WeakPolarHBondContact OD1-CA 3.31Å; D118-D120 WeakPolarHBondContact OD1-CB 3.4Å; D118-D120 PolarHBondContact OD1-N 3.33Å
121	C	93.3	Very high	93.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-19.9	-176.2	85.7	0	0	0	0	113.1	D118 Q123 D124 V125	D118-C121 PolarHBondContact N-SG 3.05Å; D118-C121 VanDerWaalsContact N-SG 3.37Å; D118-C121 PolarHBondContact O-N 3.49Å; D118-C121 WeakPolarHBondContact OD1-CB 3.45Å; D118-C121 PolarHBondContact OD1-N 2.95Å; D118-C121 PolarHBondContact OD1-SG 3.19Å; C121-Q123 VanDerWaalsContact C-N 3.29Å; C121-Q123 PolarHBondContact O-N 3.13Å; C121-D124 WeakPolarHBondContact O-CB 3.39Å; C121-D124 PolarHBondContact O-N 3.42Å; C121-V125 HydrophobicContact CB-CG2 4.33Å; C121-V125 WeakPolarHBondContact O-CG2 3.3Å; C121-V125 PolarHBondContact O-N 3.25Å
122	I	95.1	Very high	93.7	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-39.1	-168.1	-172	60.5	0	0	0	113.1	L117 D118 V125 L126 C141 F144 L145 M160	L117-I122 HydrophobicContact CB-CD1 4.41Å; L117-I122 HydrophobicContact CD1-CD1 3.87Å; L117-I122 HydrophobicContact CD2-CD1 3.95Å; L117-I122 HydrophobicContact CG-CD1 4.29Å; D118-I122 VanDerWaalsContact O-CB 3.29Å; D118-I122 WeakPolarHBondContact O-CB 3.43Å; D118-I122 PolarHBondContact O-N 2.82Å; I122-V125 PolarHBondContact O-N 3.17Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 PolarHBondContact O-N 3.2Å; I122-C141 HydrophobicContact CD1-CB 3.73Å; I122-F144 HydrophobicContact CB-CE1 4.39Å; I122-F144 HydrophobicContact CD1-CD1 3.84Å; I122-F144 HydrophobicContact CD1-CE1 4.44Å; I122-F144 HydrophobicContact CG1-CD1 4.03Å; I122-F144 HydrophobicContact CG1-CE1 4.33Å; I122-L145 HydrophobicContact CG1-CD1 4.21Å; I122-L145 HydrophobicContact CG1-CD2 3.78Å; I122-L145 HydrophobicContact CG1-CG 3.95Å; I122-L145 HydrophobicContact CG2-CD2 4.31Å; I122-M160 HydrophobicContact CG1-CE 4.22Å; I122-M160 HydrophobicContact CG2-CE 4.13Å; I122-M160 HydrophobicContact CG2-SD 4.48Å
123	Q	94.6	Very high	93.8	Very high	105 Å²	105	50.9 Å²	50.9	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-65.7	-41.7	178.7	-173.7	179.7	-7.6	0	0	112.1	C121 G127 M160 F164	C121-Q123 VanDerWaalsContact C-N 3.29Å; C121-Q123 PolarHBondContact O-N 3.13Å; Q123-G127 PolarHBondContact O-N 2.84Å; Q123-M160 HydrophobicContact CB-CE 3.99Å; Q123-M160 HydrophobicContact CB-SD 4.45Å; Q123-M160 HydrophobicContact CG-CE 4.41Å; Q123-F164 HydrophobicContact CG-CE2 4.46Å
124	D	94.9	Very high	94	Very high	52 Å²	52	47.4 Å²	47.4	28%	0.278	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-48.3	176.5	-75.1	-46.1	0	0	0	111.5	S99 R101 G102 C121 G127 A128	S99-D124 WeakPolarHBondContact CB-OD1 3.2Å; S99-D124 VanDerWaalsContact OG-CB 3.31Å; S99-D124 WeakPolarHBondContact OG-CB 3.48Å; S99-D124 PolarHBondContact OG-OD1 3.22Å; R101-D124 WeakPolarHBondContact CD-OD2 3.38Å; R101-D124 IonicContact NH1-OD2 3.22Å; G102-D124 WeakPolarHBondContact CA-O 3.41Å; C121-D124 WeakPolarHBondContact O-CB 3.39Å; C121-D124 PolarHBondContact O-N 3.42Å; D124-G127 PolarHBondContact O-N 3.32Å; D124-A128 WeakPolarHBondContact O-CB 3.4Å; D124-A128 PolarHBondContact O-N 2.88Å
125	V	96.4	Very high	94	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-45.8	-178.1	179.7	0	0	0	0	110.7	H105 V115 L117 C121 I122 A128 A129 V137	H105-V125 HydrophobicContact CB-CG1 4.34Å; H105-V125 HydrophobicContact CB-CG2 3.77Å; V115-V125 HydrophobicContact CG1-CG1 4.42Å; L117-V125 HydrophobicContact CD2-CB 4.09Å; L117-V125 HydrophobicContact CD2-CG1 3.79Å; L117-V125 HydrophobicContact CD2-CG2 4.3Å; C121-V125 HydrophobicContact CB-CG2 4.33Å; C121-V125 WeakPolarHBondContact O-CG2 3.3Å; C121-V125 PolarHBondContact O-N 3.25Å; I122-V125 PolarHBondContact O-N 3.17Å; V125-A128 PolarHBondContact O-N 2.97Å; V125-A129 VanDerWaalsContact O-CB 3.3Å; V125-A129 WeakPolarHBondContact O-CB 3.4Å; V125-A129 PolarHBondContact O-N 2.84Å; V125-V137 HydrophobicContact CG1-CG1 3.92Å
126	L	96.3	Very high	94.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-44	177.8	177.6	61	0	0	0	111.3	I122 A128 A129 V130 V138 C141 L145 M160 F164 L166	I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 PolarHBondContact O-N 3.2Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 3.01Å; L126-A129 PolarHBondContact O-N 2.92Å; L126-V130 HydrophobicContact CD1-CG2 3.89Å; L126-V130 HydrophobicContact CG-CG2 4.42Å; L126-V130 WeakPolarHBondContact O-CG2 3.29Å; L126-V130 PolarHBondContact O-N 3.35Å; L126-V138 HydrophobicContact CD1-CG1 4.19Å; L126-C141 HydrophobicContact CB-CB 4.3Å; L126-C141 HydrophobicContact CD1-CB 3.79Å; L126-L145 HydrophobicContact CD2-CD1 3.96Å; L126-M160 HydrophobicContact CD2-CE 3.7Å; L126-F164 HydrophobicContact CB-CE2 4.47Å; L126-F164 HydrophobicContact CD2-CD2 3.38Å; L126-F164 HydrophobicContact CD2-CE2 3.79Å; L126-F164 HydrophobicContact CD2-CG 4.12Å; L126-F164 HydrophobicContact CG-CD2 3.75Å; L126-F164 HydrophobicContact CG-CE2 4.03Å; L126-F164 HydrophobicContact CG-CG 4.12Å; L126-L166 HydrophobicContact CD1-CD1 4.02Å; L126-L166 HydrophobicContact CD2-CD1 3.79Å; L126-L166 HydrophobicContact CG-CD1 4.44Å
127	G	95.3	Very high	94.3	Very high	17 Å²	17	43.1 Å²	43.1	18%	0.175	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-43.6	176.6	0	0	0	0	0	112.6	Q123 D124 F131	Q123-G127 PolarHBondContact O-N 2.84Å; D124-G127 PolarHBondContact O-N 3.32Å; G127-F131 WeakPolarHBondContact O-CB 3.42Å; G127-F131 PolarHBondContact O-N 3.11Å
128	A	95.9	Very high	94.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-41.5	174.6	0	0	0	0	0	112.8	L98 G102 I106 D124 V125 L126 L132	L98-A128 HydrophobicContact CD2-CB 4.06Å; G102-A128 VanDerWaalsContact C-CB 3.45Å; I106-A128 HydrophobicContact CG1-CB 3.66Å; D124-A128 WeakPolarHBondContact O-CB 3.4Å; D124-A128 PolarHBondContact O-N 2.88Å; V125-A128 PolarHBondContact O-N 2.97Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 3.01Å; A128-L132 WeakPolarHBondContact O-CB 3.26Å; A128-L132 VanDerWaalsContact O-CG 3.27Å; A128-L132 WeakPolarHBondContact O-CG 3.4Å; A128-L132 PolarHBondContact O-N 3.47Å
129	A	96.1	Very high	94.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-46	179.5	0	0	0	0	0	112	I106 V125 L126 Q133 M134 V137 V138	I106-A129 HydrophobicContact CD1-CB 3.82Å; V125-A129 VanDerWaalsContact O-CB 3.3Å; V125-A129 WeakPolarHBondContact O-CB 3.4Å; V125-A129 PolarHBondContact O-N 2.84Å; L126-A129 PolarHBondContact O-N 2.92Å; A129-Q133 PolarHBondContact O-N 2.94Å; A129-M134 HydrophobicContact CB-CB 4.35Å; A129-M134 PolarHBondContact O-N 3.48Å; A129-V137 HydrophobicContact CB-CB 3.93Å; A129-V137 HydrophobicContact CB-CG1 3.84Å; A129-V138 HydrophobicContact CB-CG2 3.64Å
130	V	95.3	Very high	95	Very high	50 Å²	50	44 Å²	44	30%	0.303	23%	0.234	S	C	.	.	H	α-helix	trans	-66.1	-48.8	178.8	171.8	0	0	0	0	110.6	L126 L132 Q133 V138 F164	L126-V130 HydrophobicContact CD1-CG2 3.89Å; L126-V130 HydrophobicContact CG-CG2 4.42Å; L126-V130 WeakPolarHBondContact O-CG2 3.29Å; L126-V130 PolarHBondContact O-N 3.35Å; V130-L132 VanDerWaalsContact C-N 3.35Å; V130-L132 PolarHBondContact O-N 3.48Å; V130-Q133 PolarHBondContact O-N 2.97Å; V130-V138 HydrophobicContact CG2-CG1 4.17Å; V130-V138 HydrophobicContact CG2-CG2 3.75Å; V130-F164 HydrophobicContact CB-CD1 4.46Å; V130-F164 HydrophobicContact CG2-CB 4.27Å; V130-F164 HydrophobicContact CG2-CD1 4.45Å
131	F	95.1	Very high	95.2	Very high	80 Å²	80	37.7 Å²	37.7	35%	0.351	20%	0.201	S	C	.	.	H	α-helix	trans	-61.4	-42.9	-179.7	-178.4	-86	0	0	0	112.2	Y76 L98 G127 Q133	Y76-F131 HydrophobicContact CE1-CE1 4.3Å; Y76-F131 HydrophobicContact CE2-CE1 4.21Å; Y76-F131 AromaticContact CZ-CE1 3.84Å; L98-F131 HydrophobicContact CD1-CD1 3.7Å; L98-F131 HydrophobicContact CD1-CE1 3.93Å; L98-F131 HydrophobicContact CD2-CB 3.72Å; L98-F131 HydrophobicContact CD2-CD1 3.74Å; L98-F131 HydrophobicContact CD2-CG 3.74Å; L98-F131 HydrophobicContact CG-CD1 3.82Å; L98-F131 HydrophobicContact CG-CE1 4.12Å; L98-F131 HydrophobicContact CG-CG 4.22Å; G127-F131 WeakPolarHBondContact O-CB 3.42Å; G127-F131 PolarHBondContact O-N 3.11Å; F131-Q133 VanDerWaalsContact C-N 3.28Å; F131-Q133 PolarHBondContact O-N 3.31Å
132	L	95.3	Very high	95.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	6.5	179.8	-60.2	172.8	0	0	0	113.2	S74 Y76 F77 L98 L103 I106 A128 V130 M134	S74-L132 WeakPolarHBondContact CB-O 3.43Å; S74-L132 PolarHBondContact OG-O 3.07Å; Y76-L132 HydrophobicContact CD1-CD2 3.6Å; Y76-L132 HydrophobicContact CE1-CD2 3.76Å; Y76-L132 HydrophobicContact CG-CD2 4.4Å; F77-L132 HydrophobicContact CE1-CD2 4.29Å; F77-L132 HydrophobicContact CE2-CB 4.44Å; F77-L132 HydrophobicContact CE2-CD1 4.03Å; F77-L132 HydrophobicContact CE2-CD2 3.67Å; F77-L132 HydrophobicContact CE2-CG 4.26Å; F77-L132 HydrophobicContact CZ-CD1 4.26Å; F77-L132 HydrophobicContact CZ-CD2 3.54Å; F77-L132 HydrophobicContact CZ-CG 4.48Å; L98-L132 HydrophobicContact CD1-CD1 4.16Å; L98-L132 HydrophobicContact CD1-CD2 4.07Å; L98-L132 HydrophobicContact CD1-CG 4.13Å; L103-L132 HydrophobicContact CD1-CD1 3.76Å; I106-L132 HydrophobicContact CB-CD1 4.19Å; I106-L132 HydrophobicContact CG1-CD1 4.33Å; I106-L132 HydrophobicContact CG2-CD1 3.77Å; A128-L132 WeakPolarHBondContact O-CB 3.26Å; A128-L132 VanDerWaalsContact O-CG 3.27Å; A128-L132 WeakPolarHBondContact O-CG 3.4Å; A128-L132 PolarHBondContact O-N 3.47Å; V130-L132 VanDerWaalsContact C-N 3.35Å; V130-L132 PolarHBondContact O-N 3.48Å; L132-M134 VanDerWaalsContact C-N 3.29Å; L132-M134 HydrophobicContact CB-CG 4.16Å; L132-M134 PolarHBondContact O-N 3.15Å
133	Q	95.4	Very high	95.4	Very high	102 Å²	102	44.1 Å²	44.1	48%	0.477	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	40.5	178.4	-57.7	-178.9	-6.7	0	0	113.8	D75 A129 V130 F131 V135	D75-Q133 HydrophobicContact CB-CB 4.4Å; D75-Q133 VanDerWaalsContact CB-OE1 3.28Å; A129-Q133 PolarHBondContact O-N 2.94Å; V130-Q133 PolarHBondContact O-N 2.97Å; F131-Q133 VanDerWaalsContact C-N 3.28Å; F131-Q133 PolarHBondContact O-N 3.31Å; Q133-V135 PolarHBondContact O-N 3.38Å
134	M	95	Very high	95.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.218	C	C	.	.			trans	-89.4	72.8	176.5	-65.9	-68	-70.7	0	0	110.4	C73 S74 I106 F109 A129 L132 P136 V137 V138	C73-M134 HydrophobicContact CB-CE 4.03Å; C73-M134 HydrophobicContact CB-SD 4.34Å; S74-M134 VanDerWaalsContact CB-SD 3.59Å; I106-M134 HydrophobicContact CD1-CB 4.41Å; I106-M134 HydrophobicContact CD1-CG 4.43Å; I106-M134 HydrophobicContact CG2-CE 4.2Å; I106-M134 HydrophobicContact CG2-CG 3.67Å; I106-M134 HydrophobicContact CG2-SD 4.32Å; F109-M134 HydrophobicContact CD1-CE 3.37Å; F109-M134 HydrophobicContact CE1-CE 3.6Å; A129-M134 HydrophobicContact CB-CB 4.35Å; A129-M134 PolarHBondContact O-N 3.48Å; L132-M134 VanDerWaalsContact C-N 3.29Å; L132-M134 HydrophobicContact CB-CG 4.16Å; L132-M134 PolarHBondContact O-N 3.15Å; M134-P136 VanDerWaalsContact C-CD 3.49Å; M134-V137 HydrophobicContact CB-CB 4.29Å; M134-V137 HydrophobicContact CB-CG2 4.23Å; M134-V137 PolarHBondContact O-N 2.65Å; M134-V138 PolarHBondContact O-N 2.97Å; M134-V138 VanDerWaalsContact O-N 3.14Å
135	V	93.2	Very high	95.5	Very high	85 Å²	85	39.3 Å²	39.3	52%	0.515	21%	0.206	S	C	.	.	H	α-helix	trans	-50.1	-46.5	-172.1	-178.7	0	0	0	0	113.9	Q133 V137 V138 E139	Q133-V135 PolarHBondContact O-N 3.38Å; V135-V137 PolarHBondContact O-N 3.41Å; V135-V138 WeakPolarHBondContact O-CB 3.4Å; V135-V138 PolarHBondContact O-N 3.1Å; V135-E139 HydrophobicContact CG1-CG 4.28Å; V135-E139 WeakPolarHBondContact O-CG 3.37Å; V135-E139 PolarHBondContact O-N 3.3Å
136	P	94.6	Very high	95.5	Very high	76 Å²	76	41.7 Å²	41.7	49%	0.494	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-31.5	-179.7	-24.1	35.3	0	0	0	113.8	F109 M134 L140	F109-P136 HydrophobicContact CZ-CB 4.3Å; M134-P136 VanDerWaalsContact C-CD 3.49Å; P136-L140 WeakPolarHBondContact O-CB 3.47Å; P136-L140 PolarHBondContact O-N 3.48Å; P136-L140 VanDerWaalsContact O-N 3.09Å
137	V	95.8	Very high	95.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-76.3	-36.5	177.3	-175.4	0	0	0	0	110.4	I106 F109 V125 A129 M134 V135 L140 C141	I106-V137 HydrophobicContact CD1-CB 4.28Å; I106-V137 HydrophobicContact CD1-CG1 3.88Å; I106-V137 HydrophobicContact CD1-CG2 4.3Å; F109-V137 HydrophobicContact CD1-CG2 3.53Å; F109-V137 HydrophobicContact CD2-CG2 4.11Å; F109-V137 HydrophobicContact CE1-CG2 3.59Å; F109-V137 HydrophobicContact CE2-CG2 4.15Å; F109-V137 HydrophobicContact CG-CG2 3.78Å; F109-V137 HydrophobicContact CZ-CG2 3.9Å; V125-V137 HydrophobicContact CG1-CG1 3.92Å; A129-V137 HydrophobicContact CB-CB 3.93Å; A129-V137 HydrophobicContact CB-CG1 3.84Å; M134-V137 HydrophobicContact CB-CB 4.29Å; M134-V137 HydrophobicContact CB-CG2 4.23Å; M134-V137 PolarHBondContact O-N 2.65Å; V135-V137 PolarHBondContact O-N 3.41Å; V137-L140 PolarHBondContact O-N 3.09Å; V137-C141 WeakPolarHBondContact O-CB 3.49Å; V137-C141 PolarHBondContact O-N 3.27Å; V137-C141 PolarHBondContact O-SG 3.29Å
138	V	95.8	Very high	95.4	Very high	20 Å²	20	46.6 Å²	46.6	12%	0.121	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-47.8	173.3	179.2	0	0	0	0	110.4	L126 A129 V130 M134 V135 L140 C141 E142 L166	L126-V138 HydrophobicContact CD1-CG1 4.19Å; A129-V138 HydrophobicContact CB-CG2 3.64Å; V130-V138 HydrophobicContact CG2-CG1 4.17Å; V130-V138 HydrophobicContact CG2-CG2 3.75Å; M134-V138 PolarHBondContact O-N 2.97Å; M134-V138 VanDerWaalsContact O-N 3.14Å; V135-V138 WeakPolarHBondContact O-CB 3.4Å; V135-V138 PolarHBondContact O-N 3.1Å; V138-L140 VanDerWaalsContact C-N 3.35Å; V138-L140 PolarHBondContact O-N 3.17Å; V138-C141 WeakPolarHBondContact O-CB 3.39Å; V138-C141 PolarHBondContact O-N 2.84Å; V138-E142 PolarHBondContact O-N 2.94Å; V138-L166 HydrophobicContact CG1-CD2 3.94Å
139	E	94.9	Very high	95.4	Very high	116 Å²	116	47.8 Å²	47.8	54%	0.542	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-44.2	177.2	-69.7	175.2	169.7	0	0	111.7	V135 C141 E142 E143	V135-E139 HydrophobicContact CG1-CG 4.28Å; V135-E139 WeakPolarHBondContact O-CG 3.37Å; V135-E139 PolarHBondContact O-N 3.3Å; E139-C141 PolarHBondContact O-N 2.88Å; E139-E142 PolarHBondContact O-N 2.86Å; E139-E143 PolarHBondContact O-N 3.03Å
140	L	95.2	Very high	95.4	Very high	80 Å²	80	49.8 Å²	49.8	42%	0.419	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-42.7	175.1	-179.4	65.4	0	0	0	112.2	V115 L117 P136 V137 V138 E143 F144	V115-L140 HydrophobicContact CB-CD2 4.22Å; V115-L140 HydrophobicContact CG1-CD2 4.32Å; L117-L140 HydrophobicContact CD1-CD2 4.17Å; L117-L140 HydrophobicContact CD1-CG 3.9Å; P136-L140 WeakPolarHBondContact O-CB 3.47Å; P136-L140 PolarHBondContact O-N 3.48Å; P136-L140 VanDerWaalsContact O-N 3.09Å; V137-L140 PolarHBondContact O-N 3.09Å; V138-L140 VanDerWaalsContact C-N 3.35Å; V138-L140 PolarHBondContact O-N 3.17Å; L140-E143 PolarHBondContact O-N 2.9Å; L140-F144 WeakPolarHBondContact O-CB 3.09Å; L140-F144 PolarHBondContact O-N 3.19Å
141	C	96.1	Very high	95.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-41.5	176.9	-68.9	0	0	0	0	111.5	I122 L126 V137 V138 E139 F144 L145	I122-C141 HydrophobicContact CD1-CB 3.73Å; L126-C141 HydrophobicContact CB-CB 4.3Å; L126-C141 HydrophobicContact CD1-CB 3.79Å; V137-C141 WeakPolarHBondContact O-CB 3.49Å; V137-C141 PolarHBondContact O-N 3.27Å; V137-C141 PolarHBondContact O-SG 3.29Å; V138-C141 WeakPolarHBondContact O-CB 3.39Å; V138-C141 PolarHBondContact O-N 2.84Å; E139-C141 PolarHBondContact O-N 2.88Å; C141-F144 PolarHBondContact O-N 3.04Å; C141-L145 WeakPolarHBondContact O-CB 3.33Å; C141-L145 WeakPolarHBondContact O-CD1 3.42Å; C141-L145 WeakPolarHBondContact O-CG 3.48Å; C141-L145 PolarHBondContact O-N 2.76Å
142	E	95.7	Very high	95.4	Very high	30 Å²	30	52 Å²	52	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-47.1	175.4	-78.7	-166.5	-178.2	0	0	112.1	V138 E139 L145 K146 L166 L169	V138-E142 PolarHBondContact O-N 2.94Å; E139-E142 PolarHBondContact O-N 2.86Å; E142-L145 PolarHBondContact O-N 3.37Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 2.94Å; E142-K146 IonicContact OE2-NZ 3.8Å; E142-L166 HydrophobicContact CG-CD1 3.97Å; E142-L166 WeakPolarHBondContact OE1-CB 3.5Å; E142-L166 WeakPolarHBondContact OE1-CD2 3.33Å; E142-L169 HydrophobicContact CG-CB 4.44Å
143	E	95.6	Very high	95.4	Very high	111 Å²	111	53.4 Å²	53.4	52%	0.519	29%	0.288	S	S	.	.	H	α-helix	trans	-66.4	-38.8	179.4	-69.2	-56.6	120.5	0	0	112.1	E139 L140 K146 S147	E139-E143 PolarHBondContact O-N 3.03Å; L140-E143 PolarHBondContact O-N 2.9Å; E143-K146 PolarHBondContact O-N 3.09Å; E143-K146 WeakPolarHBondContact OE1-CD 3.44Å; E143-K146 IonicContact OE1-NZ 3.81Å; E143-K146 PolarHBondContact OE1-NZ 2.91Å; E143-S147 PolarHBondContact O-N 3.48Å
144	F	95.9	Very high	95.4	Very high	53 Å²	53	48.6 Å²	48.6	23%	0.232	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-49.3	172.6	177.2	-104.3	0	0	0	111.4	L117 L119 I122 L140 C141 K146 S147 A148	L117-F144 HydrophobicContact CB-CD1 4.22Å; L117-F144 HydrophobicContact CB-CD2 4.4Å; L117-F144 HydrophobicContact CB-CE1 4.38Å; L117-F144 HydrophobicContact CB-CG 4.22Å; L117-F144 HydrophobicContact CD1-CB 3.94Å; L117-F144 HydrophobicContact CD1-CD1 4.48Å; L117-F144 HydrophobicContact CD1-CG 4.21Å; L119-F144 HydrophobicContact CD2-CE1 4.18Å; L119-F144 HydrophobicContact CD2-CZ 4.48Å; I122-F144 HydrophobicContact CB-CE1 4.39Å; I122-F144 HydrophobicContact CD1-CD1 3.84Å; I122-F144 HydrophobicContact CD1-CE1 4.44Å; I122-F144 HydrophobicContact CG1-CD1 4.03Å; I122-F144 HydrophobicContact CG1-CE1 4.33Å; L140-F144 WeakPolarHBondContact O-CB 3.09Å; L140-F144 PolarHBondContact O-N 3.19Å; C141-F144 PolarHBondContact O-N 3.04Å; F144-K146 VanDerWaalsContact C-N 3.33Å; F144-K146 PolarHBondContact O-N 3.18Å; F144-S147 PolarHBondContact O-N 3.47Å; F144-S147 VanDerWaalsContact O-N 3.08Å; F144-S147 PolarHBondContact O-OG 3.37Å; F144-A148 WeakPolarHBondContact O-CB 3.4Å; F144-A148 PolarHBondContact O-N 2.89Å
145	L	96.5	Very high	95.3	Very high	2 Å²	2	50 Å²	50	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-37.5	179.3	-71.6	168.1	0	0	0	112.2	I122 L126 C141 E142 S147 A148 M149 I157 M160 L169	I122-L145 HydrophobicContact CG1-CD1 4.21Å; I122-L145 HydrophobicContact CG1-CD2 3.78Å; I122-L145 HydrophobicContact CG1-CG 3.95Å; I122-L145 HydrophobicContact CG2-CD2 4.31Å; L126-L145 HydrophobicContact CD2-CD1 3.96Å; C141-L145 WeakPolarHBondContact O-CB 3.33Å; C141-L145 WeakPolarHBondContact O-CD1 3.42Å; C141-L145 WeakPolarHBondContact O-CG 3.48Å; C141-L145 PolarHBondContact O-N 2.76Å; E142-L145 PolarHBondContact O-N 3.37Å; L145-S147 VanDerWaalsContact C-N 3.35Å; L145-A148 PolarHBondContact O-N 3.45Å; L145-M149 PolarHBondContact O-N 3.06Å; L145-I157 HydrophobicContact CB-CG2 4.05Å; L145-I157 HydrophobicContact CD2-CD1 4.5Å; L145-I157 HydrophobicContact CD2-CG1 4.02Å; L145-I157 HydrophobicContact CD2-CG2 4.33Å; L145-M160 HydrophobicContact CD1-CE 4.01Å; L145-M160 HydrophobicContact CD2-CE 4.22Å; L145-M160 HydrophobicContact CD2-SD 4.22Å; L145-L169 HydrophobicContact CB-CD1 3.92Å; L145-L169 HydrophobicContact CB-CD2 3.98Å; L145-L169 HydrophobicContact CD1-CD2 3.61Å; L145-L169 HydrophobicContact CG-CD2 4.43Å
146	K	95.9	Very high	95.3	Very high	50 Å²	50	49.9 Å²	49.9	22%	0.217	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-42.4	171.8	-73.8	165.8	-177.4	158.6	0	111.7	E142 E143 F144 M149 S168 L169	E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 2.94Å; E142-K146 IonicContact OE2-NZ 3.8Å; E143-K146 PolarHBondContact O-N 3.09Å; E143-K146 WeakPolarHBondContact OE1-CD 3.44Å; E143-K146 IonicContact OE1-NZ 3.81Å; E143-K146 PolarHBondContact OE1-NZ 2.91Å; F144-K146 VanDerWaalsContact C-N 3.33Å; F144-K146 PolarHBondContact O-N 3.18Å; K146-M149 WeakPolarHBondContact O-CB 3.3Å; K146-S168 PolarHBondContact NZ-OG 3.43Å; K146-S168 VanDerWaalsContact NZ-OG 3.15Å; K146-L169 HydrophobicContact CG-CD1 3.75Å
147	S	95.1	Very high	95.4	Very high	93 Å²	93	46.4 Å²	46.4	65%	0.65	24%	0.244	S	C	*	.	H	α-helix	trans	-72.1	-29.6	-180	76.9	0	0	0	0	113.8	E143 F144 L145 M149	E143-S147 PolarHBondContact O-N 3.48Å; F144-S147 PolarHBondContact O-N 3.47Å; F144-S147 VanDerWaalsContact O-N 3.08Å; F144-S147 PolarHBondContact O-OG 3.37Å; L145-S147 VanDerWaalsContact C-N 3.35Å; S147-M149 VanDerWaalsContact C-N 3.32Å
148	A	94.6	Very high	95.3	Very high	27 Å²	27	46.7 Å²	46.7	22%	0.223	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	1.7	-179.2	0	0	0	0	0	113.6	L119 F144 L145 S150 T153	L119-A148 HydrophobicContact CD2-CB 4.15Å; F144-A148 WeakPolarHBondContact O-CB 3.4Å; F144-A148 PolarHBondContact O-N 2.89Å; L145-A148 PolarHBondContact O-N 3.45Å; A148-S150 PolarHBondContact O-N 3.14Å; A148-T153 PolarHBondContact O-OG1 3.17Å
149	M	95.5	Very high	95.2	Very high	27 Å²	27	51.7 Å²	51.7	13%	0.133	27%	0.268	C	S	.	.			trans	-68.9	119.3	-176.5	-165	178.3	-49.4	0	0	111.5	L145 K146 S147 C154 I157 L169 V173 F176	L145-M149 PolarHBondContact O-N 3.06Å; K146-M149 WeakPolarHBondContact O-CB 3.3Å; S147-M149 VanDerWaalsContact C-N 3.32Å; M149-C154 HydrophobicContact CG-CB 4.09Å; M149-I157 HydrophobicContact CB-CD1 4.32Å; M149-I157 HydrophobicContact CG-CD1 4.5Å; M149-L169 HydrophobicContact CE-CD1 4.38Å; M149-V173 HydrophobicContact CE-CB 4.49Å; M149-V173 HydrophobicContact CE-CG2 3.7Å; M149-V173 HydrophobicContact SD-CG2 4.24Å; M149-F176 HydrophobicContact CG-CB 4.39Å; M149-F176 HydrophobicContact CG-CD1 4.09Å; M149-F176 HydrophobicContact CG-CD2 4.13Å; M149-F176 HydrophobicContact CG-CE1 4.42Å; M149-F176 HydrophobicContact CG-CE2 4.46Å; M149-F176 HydrophobicContact CG-CG 3.94Å; M149-F176 HydrophobicContact SD-CB 3.29Å; M149-F176 WeakPolarHBondContact SD-CB 3.27Å; M149-F176 HydrophobicContact SD-CD1 4.06Å; M149-F176 HydrophobicContact SD-CD2 3.91Å; M149-F176 HydrophobicContact SD-CG 3.49Å; M149-F176 WeakPolarHBondContact SD-CG 3.36Å
150	S	96.6	Very high	95.1	Very high	42 Å²	42	46.3 Å²	46.3	29%	0.294	24%	0.244	S	C	.	.			trans	-134.9	175.6	175.9	75.5	0	0	0	0	110.1	A148 E152 T153 C154	A148-S150 PolarHBondContact O-N 3.14Å; S150-E152 VanDerWaalsContact C-N 3.25Å; S150-E152 PolarHBondContact O-N 3.4Å; S150-E152 PolarHBondContact OG-N 3.09Å; S150-T153 PolarHBondContact N-OG1 3.22Å; S150-T153 PolarHBondContact O-N 3.02Å; S150-T153 PolarHBondContact OG-N 3.31Å; S150-T153 PolarHBondContact OG-OG1 3.19Å; S150-C154 WeakPolarHBondContact O-CB 3.3Å; S150-C154 PolarHBondContact O-N 3.21Å
151	V	96.3	Very high	95.1	Very high	32 Å²	32	42.6 Å²	42.6	19%	0.194	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-44.8	174.2	175.8	0	0	0	0	110.7	C154 H180 Q183 I184 E187	V151-C154 PolarHBondContact O-SG 3.37Å; V151-C154 VanDerWaalsContact O-SG 3.35Å; V151-H180 HydrophobicContact CG2-CB 4.45Å; V151-Q183 HydrophobicContact CG1-CB 3.9Å; V151-Q183 HydrophobicContact CG2-CB 4.06Å; V151-I184 HydrophobicContact CG1-CG1 4.01Å; V151-E187 HydrophobicContact CG1-CG 4.05Å
152	E	94.8	Very high	95	Very high	145 Å²	145	46.2 Å²	46.2	68%	0.678	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-37.9	-179.1	-60.5	170.1	-173.5	0	0	112.7	S150	S150-E152 VanDerWaalsContact C-N 3.25Å; S150-E152 PolarHBondContact O-N 3.4Å; S150-E152 PolarHBondContact OG-N 3.09Å
153	T	94.3	Very high	94.9	Very high	29 Å²	29	49.1 Å²	49.1	18%	0.178	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-19.1	-172.2	62.7	0	0	0	0	114.1	A148 S150 L155 H156 I157	A148-T153 PolarHBondContact O-OG1 3.17Å; S150-T153 PolarHBondContact N-OG1 3.22Å; S150-T153 PolarHBondContact O-N 3.02Å; S150-T153 PolarHBondContact OG-N 3.31Å; S150-T153 PolarHBondContact OG-OG1 3.19Å; T153-L155 PolarHBondContact O-N 3.26Å; T153-H156 PolarHBondContact O-N 3.22Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.43Å; T153-I157 PolarHBondContact O-N 3.38Å; T153-I157 WeakPolarHBondContact OG1-CD1 3.32Å
154	C	95.8	Very high	94.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-37.7	-166	67.4	0	0	0	0	114.7	M149 S150 V151 I157 G158 F176 I184	M149-C154 HydrophobicContact CG-CB 4.09Å; S150-C154 WeakPolarHBondContact O-CB 3.3Å; S150-C154 PolarHBondContact O-N 3.21Å; V151-C154 PolarHBondContact O-SG 3.37Å; V151-C154 VanDerWaalsContact O-SG 3.35Å; C154-I157 PolarHBondContact O-N 3.14Å; C154-G158 PolarHBondContact O-N 3.04Å; C154-F176 HydrophobicContact CB-CD1 3.89Å; C154-F176 HydrophobicContact CB-CE1 4.07Å; C154-I184 WeakPolarHBondContact SG-CD1 3.49Å
155	L	93.8	Very high	94.8	Very high	30 Å²	30	48.3 Å²	48.3	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-68.8	-42.8	-178.6	-66.9	-178.9	0	0	0	111.2	T153 G158 Q159 I184 D189 F190 I193	T153-L155 PolarHBondContact O-N 3.26Å; L155-G158 PolarHBondContact O-N 3.42Å; L155-Q159 PolarHBondContact O-N 3.47Å; L155-I184 HydrophobicContact CD1-CG2 3.81Å; L155-I184 HydrophobicContact CD2-CG2 3.89Å; L155-I184 HydrophobicContact CG-CG2 3.82Å; L155-D189 HydrophobicContact CD1-CB 3.94Å; L155-F190 HydrophobicContact CD1-CB 4.2Å; L155-I193 HydrophobicContact CD1-CG2 4.03Å; L155-I193 HydrophobicContact CD2-CG2 4.12Å
156	H	93.2	Very high	94.7	Very high	83 Å²	83	48.8 Å²	48.8	38%	0.384	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-45.9	174.9	-171.9	78	0	0	0	111.4	T153 G158 Q159 M160	T153-H156 PolarHBondContact O-N 3.22Å; H156-G158 VanDerWaalsContact C-N 3.26Å; H156-G158 PolarHBondContact O-N 2.9Å; H156-Q159 WeakPolarHBondContact O-CB 3.32Å; H156-Q159 PolarHBondContact O-N 3.06Å; H156-Q159 VanDerWaalsContact O-N 3.08Å; H156-M160 WeakPolarHBondContact O-CG 3.39Å; H156-M160 PolarHBondContact O-N 2.99Å
157	I	95.5	Very high	94.7	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-39.8	174.9	-63.3	171.1	0	0	0	110.7	L145 M149 T153 C154 Q159 M160 A161 L169 V173	L145-I157 HydrophobicContact CB-CG2 4.05Å; L145-I157 HydrophobicContact CD2-CD1 4.5Å; L145-I157 HydrophobicContact CD2-CG1 4.02Å; L145-I157 HydrophobicContact CD2-CG2 4.33Å; M149-I157 HydrophobicContact CB-CD1 4.32Å; M149-I157 HydrophobicContact CG-CD1 4.5Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.43Å; T153-I157 PolarHBondContact O-N 3.38Å; T153-I157 WeakPolarHBondContact OG1-CD1 3.32Å; C154-I157 PolarHBondContact O-N 3.14Å; I157-Q159 PolarHBondContact O-N 2.91Å; I157-M160 WeakPolarHBondContact O-CB 3.43Å; I157-M160 PolarHBondContact O-N 3.2Å; I157-A161 WeakPolarHBondContact O-CB 3.08Å; I157-A161 PolarHBondContact O-N 3.15Å; I157-L169 HydrophobicContact CG2-CD1 3.91Å; I157-L169 HydrophobicContact CG2-CD2 4.02Å; I157-L169 HydrophobicContact CG2-CG 4.16Å; I157-V173 HydrophobicContact CB-CG2 4.4Å; I157-V173 HydrophobicContact CG2-CG2 3.79Å
158	G	94.6	Very high	94.7	Very high	6 Å²	6	48.2 Å²	48.2	6%	0.062	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-37.8	174.7	0	0	0	0	0	113.7	C154 L155 H156 A161 T162	C154-G158 PolarHBondContact O-N 3.04Å; L155-G158 PolarHBondContact O-N 3.42Å; H156-G158 VanDerWaalsContact C-N 3.26Å; H156-G158 PolarHBondContact O-N 2.9Å; G158-A161 PolarHBondContact O-N 3.21Å; G158-T162 PolarHBondContact O-N 3.29Å; G158-T162 PolarHBondContact O-OG1 2.99Å
159	Q	93.4	Very high	94.8	Very high	125 Å²	125	47 Å²	47	58%	0.584	27%	0.269	S	S	*	.	H	α-helix	trans	-66.2	-42.7	173.9	-175.2	178.9	1.2	0	0	111	L155 H156 I157 T162 T163	L155-Q159 PolarHBondContact O-N 3.47Å; H156-Q159 WeakPolarHBondContact O-CB 3.32Å; H156-Q159 PolarHBondContact O-N 3.06Å; H156-Q159 VanDerWaalsContact O-N 3.08Å; I157-Q159 PolarHBondContact O-N 2.91Å; Q159-T162 PolarHBondContact O-N 2.86Å; Q159-T163 WeakPolarHBondContact O-CB 3.28Å; Q159-T163 PolarHBondContact O-N 2.9Å; Q159-T163 PolarHBondContact O-OG1 3.24Å
160	M	93.5	Very high	94.8	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-48.2	174	-66.8	179.1	62	0	0	111.2	I122 Q123 L126 L145 H156 I157 T162 T163 F164	I122-M160 HydrophobicContact CG1-CE 4.22Å; I122-M160 HydrophobicContact CG2-CE 4.13Å; I122-M160 HydrophobicContact CG2-SD 4.48Å; Q123-M160 HydrophobicContact CB-CE 3.99Å; Q123-M160 HydrophobicContact CB-SD 4.45Å; Q123-M160 HydrophobicContact CG-CE 4.41Å; L126-M160 HydrophobicContact CD2-CE 3.7Å; L145-M160 HydrophobicContact CD1-CE 4.01Å; L145-M160 HydrophobicContact CD2-CE 4.22Å; L145-M160 HydrophobicContact CD2-SD 4.22Å; H156-M160 WeakPolarHBondContact O-CG 3.39Å; H156-M160 PolarHBondContact O-N 2.99Å; I157-M160 WeakPolarHBondContact O-CB 3.43Å; I157-M160 PolarHBondContact O-N 3.2Å; M160-T162 PolarHBondContact O-N 3.25Å; M160-T163 PolarHBondContact O-N 2.98Å; M160-T163 VanDerWaalsContact O-N 3.16Å; M160-F164 HydrophobicContact CB-CD2 4.32Å; M160-F164 HydrophobicContact CB-CE2 4.45Å; M160-F164 HydrophobicContact CE-CE2 4.44Å; M160-F164 WeakPolarHBondContact O-CD2 3.46Å; M160-F164 PolarHBondContact O-N 3.04Å
161	A	95.6	Very high	94.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-57.3	-39.6	178	0	0	0	0	0	112.1	I157 G158 S165 L166 L169 K170	I157-A161 WeakPolarHBondContact O-CB 3.08Å; I157-A161 PolarHBondContact O-N 3.15Å; G158-A161 PolarHBondContact O-N 3.21Å; A161-S165 CarbonylContact O-C 3.54Å; A161-S165 WeakPolarHBondContact O-CA 3.5Å; A161-S165 PolarHBondContact O-N 2.94Å; A161-L166 HydrophobicContact CB-CB 4.42Å; A161-L166 PolarHBondContact O-N 3.28Å; A161-L169 HydrophobicContact CB-CB 4.14Å; A161-L169 HydrophobicContact CB-CD2 3.85Å; A161-L169 HydrophobicContact CB-CG 3.88Å; A161-K170 HydrophobicContact CB-CB 4.15Å
162	T	93.5	Very high	94.8	Very high	76 Å²	76	54.6 Å²	54.6	47%	0.466	30%	0.301	S	S	.	.	H	α-helix	trans	-70.3	-45.4	176.6	-56.8	0	0	0	0	111.7	G158 Q159 M160 F164 S165	G158-T162 PolarHBondContact O-N 3.29Å; G158-T162 PolarHBondContact O-OG1 2.99Å; Q159-T162 PolarHBondContact O-N 2.86Å; M160-T162 PolarHBondContact O-N 3.25Å; T162-F164 VanDerWaalsContact C-N 3.32Å; T162-F164 PolarHBondContact O-N 3.15Å; T162-S165 PolarHBondContact O-N 3.37Å
163	T	93.4	Very high	94.9	Very high	92 Å²	92	47.8 Å²	47.8	56%	0.564	27%	0.269	S	S	*	.	H	α-helix	trans	-61	-41.2	-178.8	-57.5	0	0	0	0	111.7	Q159 M160	Q159-T163 WeakPolarHBondContact O-CB 3.28Å; Q159-T163 PolarHBondContact O-N 2.9Å; Q159-T163 PolarHBondContact O-OG1 3.24Å; M160-T163 PolarHBondContact O-N 2.98Å; M160-T163 VanDerWaalsContact O-N 3.16Å
164	F	94.3	Very high	95	Very high	40 Å²	40	47.4 Å²	47.4	18%	0.175	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5.9	-178.8	-60.1	-62	0	0	0	113.9	Q123 L126 V130 M160 T162 L166	Q123-F164 HydrophobicContact CG-CE2 4.46Å; L126-F164 HydrophobicContact CB-CE2 4.47Å; L126-F164 HydrophobicContact CD2-CD2 3.38Å; L126-F164 HydrophobicContact CD2-CE2 3.79Å; L126-F164 HydrophobicContact CD2-CG 4.12Å; L126-F164 HydrophobicContact CG-CD2 3.75Å; L126-F164 HydrophobicContact CG-CE2 4.03Å; L126-F164 HydrophobicContact CG-CG 4.12Å; V130-F164 HydrophobicContact CB-CD1 4.46Å; V130-F164 HydrophobicContact CG2-CB 4.27Å; V130-F164 HydrophobicContact CG2-CD1 4.45Å; M160-F164 HydrophobicContact CB-CD2 4.32Å; M160-F164 HydrophobicContact CB-CE2 4.45Å; M160-F164 HydrophobicContact CE-CE2 4.44Å; M160-F164 WeakPolarHBondContact O-CD2 3.46Å; M160-F164 PolarHBondContact O-N 3.04Å; T162-F164 VanDerWaalsContact C-N 3.32Å; T162-F164 PolarHBondContact O-N 3.15Å; F164-L166 VanDerWaalsContact C-N 3.33Å; F164-L166 HydrophobicContact CB-CD1 4.15Å; F164-L166 HydrophobicContact CB-CD2 4.25Å; F164-L166 HydrophobicContact CB-CG 3.89Å; F164-L166 PolarHBondContact O-N 3.13Å
165	S	95.1	Very high	95	Very high	106 Å²	106	49.3 Å²	49.3	74%	0.741	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	39.1	179.4	-58.6	0	0	0	0	114.9	A161 T162 S167	A161-S165 CarbonylContact O-C 3.54Å; A161-S165 WeakPolarHBondContact O-CA 3.5Å; A161-S165 PolarHBondContact O-N 2.94Å; T162-S165 PolarHBondContact O-N 3.37Å; S165-S167 PolarHBondContact O-N 3.23Å
166	L	94.9	Very high	95.2	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.063	28%	0.283	C	S	.	.			trans	-87.3	92.8	-179.5	-53	179	0	0	0	110.6	L126 V138 E142 A161 F164 L169 K170	L126-L166 HydrophobicContact CD1-CD1 4.02Å; L126-L166 HydrophobicContact CD2-CD1 3.79Å; L126-L166 HydrophobicContact CG-CD1 4.44Å; V138-L166 HydrophobicContact CG1-CD2 3.94Å; E142-L166 HydrophobicContact CG-CD1 3.97Å; E142-L166 WeakPolarHBondContact OE1-CB 3.5Å; E142-L166 WeakPolarHBondContact OE1-CD2 3.33Å; A161-L166 HydrophobicContact CB-CB 4.42Å; A161-L166 PolarHBondContact O-N 3.28Å; F164-L166 VanDerWaalsContact C-N 3.33Å; F164-L166 HydrophobicContact CB-CD1 4.15Å; F164-L166 HydrophobicContact CB-CD2 4.25Å; F164-L166 HydrophobicContact CB-CG 3.89Å; F164-L166 PolarHBondContact O-N 3.13Å; L166-L169 HydrophobicContact CB-CB 4.02Å; L166-L169 HydrophobicContact CD1-CD2 4.01Å; L166-K170 WeakPolarHBondContact O-CB 3.28Å; L166-K170 PolarHBondContact O-N 2.95Å
167	S	94.9	Very high	95.4	Very high	83 Å²	83	45.9 Å²	45.9	58%	0.58	27%	0.265	S	S	*	.	H	α-helix	trans	-63.9	-45.1	-174.4	54.8	0	0	0	0	113.4	S165 L169 K170 E171	S165-S167 PolarHBondContact O-N 3.23Å; S167-L169 PolarHBondContact O-N 3.49Å; S167-K170 WeakPolarHBondContact O-CB 3.42Å; S167-K170 PolarHBondContact O-N 2.95Å; S167-E171 WeakPolarHBondContact O-CG 3.46Å; S167-E171 PolarHBondContact O-N 3.45Å
168	S	95.3	Very high	95.4	Very high	49 Å²	49	46.3 Å²	46.3	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-44.6	180	-178.5	0	0	0	0	112.1	K146 S172	K146-S168 PolarHBondContact NZ-OG 3.43Å; K146-S168 VanDerWaalsContact NZ-OG 3.15Å; S168-S172 PolarHBondContact O-N 2.59Å; S168-S172 VanDerWaalsContact O-N 3.16Å; S168-S172 PolarHBondContact O-OG 2.8Å
169	L	96.3	Very high	95.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.2	-42.3	175.4	-177.8	62.4	0	0	0	111.3	E142 L145 K146 M149 I157 A161 L166 S167 E171 S172 V173	E142-L169 HydrophobicContact CG-CB 4.44Å; L145-L169 HydrophobicContact CB-CD1 3.92Å; L145-L169 HydrophobicContact CB-CD2 3.98Å; L145-L169 HydrophobicContact CD1-CD2 3.61Å; L145-L169 HydrophobicContact CG-CD2 4.43Å; K146-L169 HydrophobicContact CG-CD1 3.75Å; M149-L169 HydrophobicContact CE-CD1 4.38Å; I157-L169 HydrophobicContact CG2-CD1 3.91Å; I157-L169 HydrophobicContact CG2-CD2 4.02Å; I157-L169 HydrophobicContact CG2-CG 4.16Å; A161-L169 HydrophobicContact CB-CB 4.14Å; A161-L169 HydrophobicContact CB-CD2 3.85Å; A161-L169 HydrophobicContact CB-CG 3.88Å; L166-L169 HydrophobicContact CB-CB 4.02Å; L166-L169 HydrophobicContact CD1-CD2 4.01Å; S167-L169 PolarHBondContact O-N 3.49Å; L169-E171 PolarHBondContact O-N 2.94Å; L169-S172 WeakPolarHBondContact O-CB 3.36Å; L169-S172 PolarHBondContact O-N 3.08Å; L169-S172 VanDerWaalsContact O-N 3.16Å; L169-V173 HydrophobicContact CD1-CG2 4.45Å; L169-V173 HydrophobicContact CG-CG2 4.47Å; L169-V173 WeakPolarHBondContact O-CG2 3.49Å; L169-V173 PolarHBondContact O-N 3.33Å
170	K	95.6	Very high	95.5	Very high	82 Å²	82	50.8 Å²	50.8	36%	0.357	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-44.4	178	-175.8	178.4	179.4	178.1	0	112.3	A161 L166 S167 S172 V173 D174	A161-K170 HydrophobicContact CB-CB 4.15Å; L166-K170 WeakPolarHBondContact O-CB 3.28Å; L166-K170 PolarHBondContact O-N 2.95Å; S167-K170 WeakPolarHBondContact O-CB 3.42Å; S167-K170 PolarHBondContact O-N 2.95Å; K170-S172 VanDerWaalsContact C-N 3.3Å; K170-S172 PolarHBondContact O-N 3.32Å; K170-V173 PolarHBondContact O-N 3.27Å; K170-D174 WeakPolarHBondContact O-CB 3.43Å; K170-D174 PolarHBondContact O-N 3.23Å
171	E	96.1	Very high	95.7	Very high	137 Å²	137	50.6 Å²	50.6	64%	0.64	28%	0.278	S	S	*	.	H	α-helix	trans	-61.8	-39.6	175.5	-73.2	176	-168	0	0	111.9	S167 L169 D174 A175	S167-E171 WeakPolarHBondContact O-CG 3.46Å; S167-E171 PolarHBondContact O-N 3.45Å; L169-E171 PolarHBondContact O-N 2.94Å; E171-D174 PolarHBondContact O-N 3.2Å; E171-A175 WeakPolarHBondContact O-CB 3.2Å; E171-A175 PolarHBondContact O-N 3.01Å
172	S	97.1	Very high	95.7	Very high	42 Å²	42	52.9 Å²	52.9	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-44	176.7	-57.6	0	0	0	0	111.7	S168 L169 K170 A175 F176	S168-S172 PolarHBondContact O-N 2.59Å; S168-S172 VanDerWaalsContact O-N 3.16Å; S168-S172 PolarHBondContact O-OG 2.8Å; L169-S172 WeakPolarHBondContact O-CB 3.36Å; L169-S172 PolarHBondContact O-N 3.08Å; L169-S172 VanDerWaalsContact O-N 3.16Å; K170-S172 VanDerWaalsContact C-N 3.3Å; K170-S172 PolarHBondContact O-N 3.32Å; S172-A175 PolarHBondContact O-N 2.98Å; S172-F176 WeakPolarHBondContact O-CB 3.4Å; S172-F176 PolarHBondContact O-N 2.89Å
173	V	97.3	Very high	95.9	Very high	2 Å²	2	54 Å²	54	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-47.3	174.8	173	0	0	0	0	110.6	M149 I157 L169 K170 A175 F176 T177	M149-V173 HydrophobicContact CE-CB 4.49Å; M149-V173 HydrophobicContact CE-CG2 3.7Å; M149-V173 HydrophobicContact SD-CG2 4.24Å; I157-V173 HydrophobicContact CB-CG2 4.4Å; I157-V173 HydrophobicContact CG2-CG2 3.79Å; L169-V173 HydrophobicContact CD1-CG2 4.45Å; L169-V173 HydrophobicContact CG-CG2 4.47Å; L169-V173 WeakPolarHBondContact O-CG2 3.49Å; L169-V173 PolarHBondContact O-N 3.33Å; K170-V173 PolarHBondContact O-N 3.27Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 3.27Å; V173-F176 PolarHBondContact O-N 3.46Å; V173-F176 VanDerWaalsContact O-N 3.17Å; V173-T177 PolarHBondContact O-N 3.46Å; V173-T177 PolarHBondContact O-OG1 2.93Å; V173-T177 VanDerWaalsContact O-OG1 3.05Å
174	D	96.3	Very high	96.1	Very high	21 Å²	21	49.6 Å²	49.6	11%	0.112	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-46	177.7	-76.8	-18.4	0	0	0	111.6	K170 E171 F176 T177 F178 R197	K170-D174 WeakPolarHBondContact O-CB 3.43Å; K170-D174 PolarHBondContact O-N 3.23Å; E171-D174 PolarHBondContact O-N 3.2Å; D174-F176 VanDerWaalsContact C-N 3.31Å; D174-F176 PolarHBondContact O-N 2.97Å; D174-T177 PolarHBondContact O-N 2.89Å; D174-F178 HydrophobicContact CB-CE2 4.23Å; D174-F178 WeakPolarHBondContact O-CD2 3.42Å; D174-F178 WeakPolarHBondContact O-CG 3.45Å; D174-F178 PolarHBondContact O-N 3.35Å; D174-R197 IonicContact OD1-CZ 3.96Å; D174-R197 IonicContact OD1-NH1 3.94Å; D174-R197 PolarHBondContact OD1-NH1 3.29Å; D174-R197 IonicContact OD1-NH2 3.89Å; D174-R197 PolarHBondContact OD1-NH2 2.91Å; D174-R197 IonicContact OD2-NH1 3.17Å; D174-R197 PolarHBondContact OD2-NH1 2.88Å
175	A	96.2	Very high	96.2	Very high	41 Å²	41	48 Å²	48	34%	0.339	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-38.5	177.5	0	0	0	0	0	112.5	E171 S172 V173 R179	E171-A175 WeakPolarHBondContact O-CB 3.2Å; E171-A175 PolarHBondContact O-N 3.01Å; S172-A175 PolarHBondContact O-N 2.98Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 3.27Å; A175-R179 WeakPolarHBondContact O-CG 3.38Å; A175-R179 PolarHBondContact O-N 3.04Å
176	F	97.1	Very high	96.3	Very high	39 Å²	39	50 Å²	50	17%	0.171	25%	0.254	C	S	.	.	H	α-helix	trans	-67.8	-47.5	174.7	-173.9	-87.9	0	0	0	111.4	M149 C154 S172 V173 D174 F178 R179 H180 I184	M149-F176 HydrophobicContact CG-CB 4.39Å; M149-F176 HydrophobicContact CG-CD1 4.09Å; M149-F176 HydrophobicContact CG-CD2 4.13Å; M149-F176 HydrophobicContact CG-CE1 4.42Å; M149-F176 HydrophobicContact CG-CE2 4.46Å; M149-F176 HydrophobicContact CG-CG 3.94Å; M149-F176 HydrophobicContact SD-CB 3.29Å; M149-F176 WeakPolarHBondContact SD-CB 3.27Å; M149-F176 HydrophobicContact SD-CD1 4.06Å; M149-F176 HydrophobicContact SD-CD2 3.91Å; M149-F176 HydrophobicContact SD-CG 3.49Å; M149-F176 WeakPolarHBondContact SD-CG 3.36Å; C154-F176 HydrophobicContact CB-CD1 3.89Å; C154-F176 HydrophobicContact CB-CE1 4.07Å; S172-F176 WeakPolarHBondContact O-CB 3.4Å; S172-F176 PolarHBondContact O-N 2.89Å; V173-F176 PolarHBondContact O-N 3.46Å; V173-F176 VanDerWaalsContact O-N 3.17Å; D174-F176 VanDerWaalsContact C-N 3.31Å; D174-F176 PolarHBondContact O-N 2.97Å; F176-F178 VanDerWaalsContact C-N 3.32Å; F176-F178 PolarHBondContact O-N 3.15Å; F176-R179 WeakPolarHBondContact O-CB 3.29Å; F176-R179 PolarHBondContact O-N 3.31Å; F176-H180 AromaticContact CD2-CD2 3.91Å; F176-H180 HydrophobicContact CE1-CB 4.19Å; F176-H180 AromaticContact CE1-CD2 3.89Å; F176-H180 AromaticContact CE2-CD2 3.67Å; F176-H180 AromaticContact CE2-NE2 3.94Å; F176-H180 AromaticContact CZ-CD2 3.65Å; F176-H180 PolarHBondContact O-CD2 3.16Å; F176-H180 PolarHBondContact O-N 2.96Å; F176-I184 HydrophobicContact CD1-CD1 4.36Å; F176-I184 HydrophobicContact CE1-CD1 4.41Å
177	T	96.6	Very high	96.4	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-40.7	178.5	-56.2	0	0	0	0	111.6	V173 D174 R179 H180 F181 I184 F201	V173-T177 PolarHBondContact O-N 3.46Å; V173-T177 PolarHBondContact O-OG1 2.93Å; V173-T177 VanDerWaalsContact O-OG1 3.05Å; D174-T177 PolarHBondContact O-N 2.89Å; T177-R179 PolarHBondContact O-N 3.44Å; T177-H180 CarbonylContact O-C 3.59Å; T177-H180 PolarHBondContact O-N 3.16Å; T177-F181 HydrophobicContact CG2-CD2 4.2Å; T177-F181 WeakPolarHBondContact O-CA 3.42Å; T177-F181 VanDerWaalsContact O-CB 3.3Å; T177-F181 WeakPolarHBondContact O-CB 3.4Å; T177-F181 PolarHBondContact O-N 3.42Å; T177-I184 HydrophobicContact CG2-CD1 3.93Å; T177-F201 HydrophobicContact CG2-CD1 4.11Å; T177-F201 HydrophobicContact CG2-CD2 4.35Å; T177-F201 HydrophobicContact CG2-CE1 3.62Å; T177-F201 HydrophobicContact CG2-CE2 3.87Å; T177-F201 HydrophobicContact CG2-CG 4.47Å; T177-F201 HydrophobicContact CG2-CZ 3.5Å; T177-F201 VanDerWaalsContact CG2-CZ 3.5Å
178	F	95.9	Very high	96.4	Very high	13 Å²	13	54.4 Å²	54.4	6%	0.057	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-28.9	175.4	-75.3	-52.3	0	0	0	113.8	D174 F176 F200 F201 S204 K206 L207 K208	D174-F178 HydrophobicContact CB-CE2 4.23Å; D174-F178 WeakPolarHBondContact O-CD2 3.42Å; D174-F178 WeakPolarHBondContact O-CG 3.45Å; D174-F178 PolarHBondContact O-N 3.35Å; F176-F178 VanDerWaalsContact C-N 3.32Å; F176-F178 PolarHBondContact O-N 3.15Å; F178-F200 HydrophobicContact CE2-CE1 4.25Å; F178-F200 HydrophobicContact CE2-CZ 4.3Å; F178-F200 AromaticContact CZ-CE1 3.76Å; F178-F200 HydrophobicContact CZ-CE1 3.76Å; F178-F200 AromaticContact CZ-CZ 3.95Å; F178-F200 HydrophobicContact CZ-CZ 3.95Å; F178-F201 HydrophobicContact CD1-CD1 4.24Å; F178-F201 AromaticContact CE1-CD1 3.71Å; F178-F201 HydrophobicContact CE1-CD1 3.71Å; F178-F201 HydrophobicContact CE1-CE1 4.45Å; F178-F201 HydrophobicContact CZ-CD1 4.04Å; F178-F201 HydrophobicContact CZ-CE1 4.45Å; F178-S204 WeakPolarHBondContact CE1-OG 3.24Å; F178-S204 WeakPolarHBondContact CZ-OG 3.43Å; F178-K206 HydrophobicContact CB-CB 4.31Å; F178-K206 HydrophobicContact CD1-CB 3.9Å; F178-K206 HydrophobicContact CD2-CB 3.89Å; F178-K206 HydrophobicContact CD2-CD 4.17Å; F178-K206 HydrophobicContact CE1-CB 4.19Å; F178-K206 HydrophobicContact CE2-CB 4.18Å; F178-K206 HydrophobicContact CE2-CD 3.96Å; F178-K206 HydrophobicContact CG-CB 3.77Å; F178-K206 HydrophobicContact CZ-CB 4.33Å; F178-K206 HydrophobicContact CZ-CD 4.47Å; F178-L207 HydrophobicContact CD1-CD2 3.89Å; F178-L207 HydrophobicContact CD1-CG 4.05Å; F178-K208 PolarHBondContact O-N 2.81Å
179	R	95.3	Very high	96.3	Very high	165 Å²	165	56.3 Å²	56.3	62%	0.623	27%	0.272	S	S	*	.	H	α-helix	trans	-82.7	-33.9	178.4	-68.6	173.8	-171.1	174.4	4	113	A175 F176 T177 K208	A175-R179 WeakPolarHBondContact O-CG 3.38Å; A175-R179 PolarHBondContact O-N 3.04Å; F176-R179 WeakPolarHBondContact O-CB 3.29Å; F176-R179 PolarHBondContact O-N 3.31Å; T177-R179 PolarHBondContact O-N 3.44Å; R179-K208 HydrophobicContact CG-CG 4.4Å
180	H	96.1	Very high	96.4	Very high	59 Å²	59	56.4 Å²	56.4	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-115.3	18.4	-172	-63.6	-79.2	0	0	0	113.3	V151 F176 T177 L182 Q183 I184	V151-H180 HydrophobicContact CG2-CB 4.45Å; F176-H180 AromaticContact CD2-CD2 3.91Å; F176-H180 HydrophobicContact CE1-CB 4.19Å; F176-H180 AromaticContact CE1-CD2 3.89Å; F176-H180 AromaticContact CE2-CD2 3.67Å; F176-H180 AromaticContact CE2-NE2 3.94Å; F176-H180 AromaticContact CZ-CD2 3.65Å; F176-H180 PolarHBondContact O-CD2 3.16Å; F176-H180 PolarHBondContact O-N 2.96Å; T177-H180 CarbonylContact O-C 3.59Å; T177-H180 PolarHBondContact O-N 3.16Å; H180-L182 VanDerWaalsContact C-N 3.33Å; H180-L182 PolarHBondContact O-N 2.88Å; H180-Q183 PolarHBondContact ND1-OE1 2.86Å; H180-Q183 PolarHBondContact O-N 2.66Å; H180-I184 HydrophobicContact CB-CD1 4Å; H180-I184 HydrophobicContact CB-CG1 4.37Å; H180-I184 WeakPolarHBondContact O-CG1 3.33Å; H180-I184 PolarHBondContact O-N 3Å
181	F	97.1	Very high	96.5	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-52.2	-46.1	-169	-178.4	-98.3	0	0	0	113.5	T177 Q183 I184 A185 F190 L198 F201 L202 L207 L215 A218	T177-F181 HydrophobicContact CG2-CD2 4.2Å; T177-F181 WeakPolarHBondContact O-CA 3.42Å; T177-F181 VanDerWaalsContact O-CB 3.3Å; T177-F181 WeakPolarHBondContact O-CB 3.4Å; T177-F181 PolarHBondContact O-N 3.42Å; F181-Q183 PolarHBondContact O-N 3.24Å; F181-I184 PolarHBondContact O-N 2.97Å; F181-A185 HydrophobicContact CE1-CB 4.41Å; F181-A185 VanDerWaalsContact O-CB 3.26Å; F181-A185 WeakPolarHBondContact O-CB 3.37Å; F181-A185 PolarHBondContact O-N 2.83Å; F181-F190 HydrophobicContact CE2-CE2 4.05Å; F181-F190 HydrophobicContact CZ-CE2 4.1Å; F181-F190 HydrophobicContact CZ-CZ 4.14Å; F181-L198 HydrophobicContact CZ-CD1 4.4Å; F181-F201 HydrophobicContact CD2-CB 4.08Å; F181-F201 HydrophobicContact CD2-CG 4.28Å; F181-F201 HydrophobicContact CE2-CB 3.6Å; F181-F201 HydrophobicContact CE2-CD2 4.06Å; F181-F201 HydrophobicContact CE2-CG 4.01Å; F181-F201 HydrophobicContact CZ-CB 4.41Å; F181-L202 HydrophobicContact CZ-CD2 4.27Å; F181-L207 HydrophobicContact CB-CD2 3.47Å; F181-L207 VanDerWaalsContact CB-CD2 3.47Å; F181-L207 HydrophobicContact CD1-CD2 3.99Å; F181-L207 HydrophobicContact CD2-CD2 3.79Å; F181-L207 HydrophobicContact CG-CD2 3.46Å; F181-L207 VanDerWaalsContact CG-CD2 3.46Å; F181-L215 HydrophobicContact CD1-CD2 3.67Å; F181-L215 HydrophobicContact CE1-CD2 3.48Å; F181-L215 VanDerWaalsContact CE1-CD2 3.48Å; F181-L215 HydrophobicContact CZ-CD2 4.5Å; F181-A218 HydrophobicContact CE1-CB 4.18Å
182	L	96.1	Very high	96.4	Very high	48 Å²	48	52.2 Å²	52.2	25%	0.251	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-40	-178.9	-63.5	-175.6	0	0	0	112.8	H180 A185 E186 D214 L215	H180-L182 VanDerWaalsContact C-N 3.33Å; H180-L182 PolarHBondContact O-N 2.88Å; L182-A185 PolarHBondContact O-N 3.41Å; L182-E186 PolarHBondContact O-N 3.46Å; L182-D214 HydrophobicContact CD1-CB 3.9Å; L182-D214 HydrophobicContact CD2-CB 3.54Å; L182-D214 HydrophobicContact CG-CB 4.39Å; L182-L215 HydrophobicContact CD2-CD2 4.47Å
183	Q	96.8	Very high	96.3	Very high	99 Å²	99	50.9 Å²	50.9	46%	0.463	24%	0.243	S	C	.	.	H	α-helix	trans	-64.9	-43.5	176.5	-64	169	1.8	0	0	110.2	V151 H180 F181 A185 E186	V151-Q183 HydrophobicContact CG1-CB 3.9Å; V151-Q183 HydrophobicContact CG2-CB 4.06Å; H180-Q183 PolarHBondContact ND1-OE1 2.86Å; H180-Q183 PolarHBondContact O-N 2.66Å; F181-Q183 PolarHBondContact O-N 3.24Å; Q183-A185 VanDerWaalsContact C-N 3.29Å; Q183-A185 PolarHBondContact O-N 3.25Å; Q183-E186 WeakPolarHBondContact O-CB 3Å; Q183-E186 PolarHBondContact O-N 3.1Å
184	I	97.2	Very high	96.2	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-36.2	177.1	-63.1	162.3	0	0	0	110.7	V151 C154 L155 F176 T177 H180 F181 E186 E187 F190	V151-I184 HydrophobicContact CG1-CG1 4.01Å; C154-I184 WeakPolarHBondContact SG-CD1 3.49Å; L155-I184 HydrophobicContact CD1-CG2 3.81Å; L155-I184 HydrophobicContact CD2-CG2 3.89Å; L155-I184 HydrophobicContact CG-CG2 3.82Å; F176-I184 HydrophobicContact CD1-CD1 4.36Å; F176-I184 HydrophobicContact CE1-CD1 4.41Å; T177-I184 HydrophobicContact CG2-CD1 3.93Å; H180-I184 HydrophobicContact CB-CD1 4Å; H180-I184 HydrophobicContact CB-CG1 4.37Å; H180-I184 WeakPolarHBondContact O-CG1 3.33Å; H180-I184 PolarHBondContact O-N 3Å; F181-I184 PolarHBondContact O-N 2.97Å; I184-E186 PolarHBondContact O-N 3.15Å; I184-E187 WeakPolarHBondContact O-CB 3.41Å; I184-E187 PolarHBondContact O-N 3.29Å; I184-E187 VanDerWaalsContact O-N 3.1Å; I184-F190 HydrophobicContact CG2-CD2 4.43Å; I184-F190 WeakPolarHBondContact O-CB 3.44Å
185	A	97.1	Very high	96.3	Very high	7 Å²	7	55.8 Å²	55.8	6%	0.058	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.3	178.7	0	0	0	0	0	113.9	F181 L182 Q183 F190 A218 R221	F181-A185 HydrophobicContact CE1-CB 4.41Å; F181-A185 VanDerWaalsContact O-CB 3.26Å; F181-A185 WeakPolarHBondContact O-CB 3.37Å; F181-A185 PolarHBondContact O-N 2.83Å; L182-A185 PolarHBondContact O-N 3.41Å; Q183-A185 VanDerWaalsContact C-N 3.29Å; Q183-A185 PolarHBondContact O-N 3.25Å; A185-F190 HydrophobicContact CB-CD1 4.37Å; A185-F190 HydrophobicContact CB-CD2 4.29Å; A185-F190 HydrophobicContact CB-CE1 4.16Å; A185-F190 HydrophobicContact CB-CE2 4.07Å; A185-F190 HydrophobicContact CB-CG 4.44Å; A185-F190 HydrophobicContact CB-CZ 3.99Å; A185-A218 HydrophobicContact CB-CB 3.79Å; A185-R221 PolarHBondContact O-NH1 3.05Å
186	E	96.8	Very high	96.3	Very high	146 Å²	146	60 Å²	60	68%	0.682	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-20.1	171.9	-68.9	176	178.1	0	0	112.6	L182 Q183 I184 R221	L182-E186 PolarHBondContact O-N 3.46Å; Q183-E186 WeakPolarHBondContact O-CB 3Å; Q183-E186 PolarHBondContact O-N 3.1Å; I184-E186 PolarHBondContact O-N 3.15Å; E186-R221 VanDerWaalsContact CA-NH1 3.33Å; E186-R221 VanDerWaalsContact O-CZ 3.28Å; E186-R221 PolarHBondContact O-NH1 3.1Å; E186-R221 PolarHBondContact O-NH2 2.93Å
187	E	96.9	Very high	96.2	Very high	74 Å²	74	60.5 Å²	60.5	35%	0.346	29%	0.286	S	S	.	.	S	Bend	trans	-69.9	155.6	178.4	-63.6	-58.4	147.3	0	0	112.6	V151 I184 F190 R221	V151-E187 HydrophobicContact CG1-CG 4.05Å; I184-E187 WeakPolarHBondContact O-CB 3.41Å; I184-E187 PolarHBondContact O-N 3.29Å; I184-E187 VanDerWaalsContact O-N 3.1Å; E187-F190 WeakPolarHBondContact O-CB 3.41Å; E187-R221 PolarHBondContact O-NH1 2.62Å; E187-R221 PolarHBondContact O-NH2 2.82Å
188	E	95.3	Very high	96.2	Very high	115 Å²	115	60.4 Å²	60.4	54%	0.537	29%	0.286	S	S	.	.	S	Bend	trans	-72.5	-34.4	177.5	-74.1	-63.3	132.6	0	0	112.4	F190 L191 H192 R221	E188-F190 PolarHBondContact O-N 2.84Å; E188-F190 VanDerWaalsContact O-N 3.16Å; E188-L191 WeakPolarHBondContact O-CB 3.4Å; E188-L191 PolarHBondContact O-N 3.19Å; E188-H192 PolarHBondContact O-ND1 3.24Å; E188-R221 IonicContact OE1-NH2 2.66Å; E188-R221 PolarHBondContact OE1-NH2 3.04Å
189	D	94.3	Very high	96.3	Very high	88 Å²	88	61.1 Å²	61.1	47%	0.471	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-60.9	-26.3	177.2	-75.9	-6.2	0	0	0	112.2	L155 L191 H192	L155-D189 HydrophobicContact CD1-CB 3.94Å; D189-L191 PolarHBondContact O-N 2.85Å; D189-H192 PolarHBondContact O-N 3.29Å; D189-H192 VanDerWaalsContact O-N 3.15Å
190	F	97.2	Very high	96.4	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.009	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-60	-34.4	174.7	-179.5	-99.2	0	0	0	112.5	L155 F181 I184 A185 E187 E188 H192 I193 L198 A218 W222	L155-F190 HydrophobicContact CD1-CB 4.2Å; F181-F190 HydrophobicContact CE2-CE2 4.05Å; F181-F190 HydrophobicContact CZ-CE2 4.1Å; F181-F190 HydrophobicContact CZ-CZ 4.14Å; I184-F190 HydrophobicContact CG2-CD2 4.43Å; I184-F190 WeakPolarHBondContact O-CB 3.44Å; A185-F190 HydrophobicContact CB-CD1 4.37Å; A185-F190 HydrophobicContact CB-CD2 4.29Å; A185-F190 HydrophobicContact CB-CE1 4.16Å; A185-F190 HydrophobicContact CB-CE2 4.07Å; A185-F190 HydrophobicContact CB-CG 4.44Å; A185-F190 HydrophobicContact CB-CZ 3.99Å; E187-F190 WeakPolarHBondContact O-CB 3.41Å; E188-F190 PolarHBondContact O-N 2.84Å; E188-F190 VanDerWaalsContact O-N 3.16Å; F190-H192 PolarHBondContact O-N 3.14Å; F190-H192 VanDerWaalsContact O-N 3.13Å; F190-I193 HydrophobicContact CD2-CD1 3.82Å; F190-I193 HydrophobicContact CE2-CD1 3.61Å; F190-I193 HydrophobicContact CZ-CD1 4.18Å; F190-I193 VanDerWaalsContact O-CG1 3.32Å; F190-I193 WeakPolarHBondContact O-CG1 3.35Å; F190-I193 PolarHBondContact O-N 3.3Å; F190-L198 HydrophobicContact CE2-CD1 4.24Å; F190-L198 HydrophobicContact CZ-CD1 3.66Å; F190-A218 HydrophobicContact CE1-CB 4.46Å; F190-A218 HydrophobicContact CZ-CB 4.36Å; F190-W222 HydrophobicContact CE1-CB 4.05Å
191	L	97.1	Very high	96.5	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.037	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-67.6	-15.2	-178.7	-53.6	-179.9	0	0	0	112.9	E188 D189 R221 H225 R229	E188-L191 WeakPolarHBondContact O-CB 3.4Å; E188-L191 PolarHBondContact O-N 3.19Å; D189-L191 PolarHBondContact O-N 2.85Å; L191-R221 HydrophobicContact CD2-CG 3.81Å; L191-H225 HydrophobicContact CB-CB 4.23Å; L191-H225 HydrophobicContact CD1-CB 4.4Å; L191-H225 WeakPolarHBondContact CD1-ND1 3.37Å; L191-H225 HydrophobicContact CD2-CB 4.36Å; L191-R229 PolarHBondContact O-NH1 2.99Å; L191-R229 PolarHBondContact O-NH2 2.9Å
192	H	95.3	Very high	96.5	Very high	124 Å²	124	53.7 Å²	53.7	57%	0.574	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-100.7	-3.1	-176.8	-59.4	79	0	0	0	113	E188 D189 F190	E188-H192 PolarHBondContact O-ND1 3.24Å; D189-H192 PolarHBondContact O-N 3.29Å; D189-H192 VanDerWaalsContact O-N 3.15Å; F190-H192 PolarHBondContact O-N 3.14Å; F190-H192 VanDerWaalsContact O-N 3.13Å
193	I	95.2	Very high	96.5	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.077	27%	0.272	C	S	.	.	S	Bend	trans	-67.2	145.9	179.1	73.3	-176.6	0	0	0	111.3	L155 F190 L198 W222	L155-I193 HydrophobicContact CD1-CG2 4.03Å; L155-I193 HydrophobicContact CD2-CG2 4.12Å; F190-I193 HydrophobicContact CD2-CD1 3.82Å; F190-I193 HydrophobicContact CE2-CD1 3.61Å; F190-I193 HydrophobicContact CZ-CD1 4.18Å; F190-I193 VanDerWaalsContact O-CG1 3.32Å; F190-I193 WeakPolarHBondContact O-CG1 3.35Å; F190-I193 PolarHBondContact O-N 3.3Å; I193-L198 HydrophobicContact CD1-CB 3.96Å; I193-L198 HydrophobicContact CD1-CD1 4.28Å; I193-L198 HydrophobicContact CG1-CB 4.37Å; I193-W222 PolarHBondContact O-NE1 3.37Å
194	P	95.4	Very high	96.5	Very high	78 Å²	78	52.5 Å²	52.5	51%	0.506	26%	0.256	S	S	.	.			trans	-61.2	149	173.4	-22.5	33.3	0	0	0	112.5	E196 R197 L198	P194-E196 VanDerWaalsContact C-N 3.27Å; P194-E196 WeakPolarHBondContact CB-OE2 3.49Å; P194-E196 PolarHBondContact O-N 3.12Å; P194-R197 HydrophobicContact CB-CB 4.45Å; P194-R197 WeakPolarHBondContact O-CB 3.37Å; P194-R197 PolarHBondContact O-N 2.92Å; P194-L198 PolarHBondContact O-N 3.12Å; P194-L198 VanDerWaalsContact O-N 3.15Å
195	M	96.7	Very high	96.4	Very high	47 Å²	47	54.2 Å²	54.2	23%	0.232	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-41.7	179.9	-174.5	179.7	66.9	0	0	112.1	R197 L198 I199 W222 Q232 V236	M195-R197 PolarHBondContact O-N 3.37Å; M195-L198 PolarHBondContact O-N 3.37Å; M195-I199 HydrophobicContact CG-CD1 3.9Å; M195-I199 HydrophobicContact CG-CG1 4.43Å; M195-I199 WeakPolarHBondContact O-CG1 3.3Å; M195-I199 PolarHBondContact O-N 3.07Å; M195-I199 HydrophobicContact SD-CD1 4.43Å; M195-W222 HydrophobicContact CB-CH2 3.68Å; M195-W222 HydrophobicContact CB-CZ2 4.06Å; M195-W222 HydrophobicContact CG-CH2 3.86Å; M195-W222 HydrophobicContact CG-CZ3 4.44Å; M195-Q232 HydrophobicContact SD-CB 3.74Å; M195-Q232 HydrophobicContact SD-CG 4.12Å; M195-V236 HydrophobicContact CG-CG2 3.9Å; M195-V236 HydrophobicContact SD-CG2 4.17Å
196	E	96.1	Very high	96.2	Very high	130 Å²	130	59.8 Å²	59.8	61%	0.607	29%	0.289	S	S	*	.	H	α-helix	trans	-61	-33.3	179.9	-58.5	75.8	-164.7	0	0	111.1	P194 F200	P194-E196 VanDerWaalsContact C-N 3.27Å; P194-E196 WeakPolarHBondContact CB-OE2 3.49Å; P194-E196 PolarHBondContact O-N 3.12Å; E196-F200 VanDerWaalsContact O-CB 3.28Å; E196-F200 WeakPolarHBondContact O-CB 3.43Å; E196-F200 PolarHBondContact O-N 3.35Å
197	R	95.6	Very high	96.1	Very high	49 Å²	49	53 Å²	53	19%	0.185	26%	0.257	C	S	.	.	H	α-helix	trans	-74.9	-40.9	179.2	-164.4	58.7	159.8	161.7	-0.2	111.4	D174 P194 M195 F200 F201	D174-R197 IonicContact OD1-CZ 3.96Å; D174-R197 IonicContact OD1-NH1 3.94Å; D174-R197 PolarHBondContact OD1-NH1 3.29Å; D174-R197 IonicContact OD1-NH2 3.89Å; D174-R197 PolarHBondContact OD1-NH2 2.91Å; D174-R197 IonicContact OD2-NH1 3.17Å; D174-R197 PolarHBondContact OD2-NH1 2.88Å; P194-R197 HydrophobicContact CB-CB 4.45Å; P194-R197 WeakPolarHBondContact O-CB 3.37Å; P194-R197 PolarHBondContact O-N 2.92Å; M195-R197 PolarHBondContact O-N 3.37Å; R197-F200 WeakPolarHBondContact O-CB 3.33Å; R197-F200 PolarHBondContact O-N 2.87Å; R197-F201 HydrophobicContact CG-CD2 4.45Å; R197-F201 HydrophobicContact CG-CE2 3.74Å; R197-F201 HydrophobicContact CG-CZ 4.29Å; R197-F201 WeakPolarHBondContact O-CD2 3.32Å; R197-F201 PolarHBondContact O-N 3.26Å
198	L	97.4	Very high	95.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-48.7	172.7	179.4	60	0	0	0	111.2	F181 F190 I193 P194 M195 F200 F201 L202 W222 V236	F181-L198 HydrophobicContact CZ-CD1 4.4Å; F190-L198 HydrophobicContact CE2-CD1 4.24Å; F190-L198 HydrophobicContact CZ-CD1 3.66Å; I193-L198 HydrophobicContact CD1-CB 3.96Å; I193-L198 HydrophobicContact CD1-CD1 4.28Å; I193-L198 HydrophobicContact CG1-CB 4.37Å; P194-L198 PolarHBondContact O-N 3.12Å; P194-L198 VanDerWaalsContact O-N 3.15Å; M195-L198 PolarHBondContact O-N 3.37Å; L198-F200 VanDerWaalsContact C-N 3.28Å; L198-F200 PolarHBondContact O-N 3.02Å; L198-F201 PolarHBondContact O-N 3.31Å; L198-F201 VanDerWaalsContact O-N 3.12Å; L198-L202 HydrophobicContact CD1-CD1 3.94Å; L198-L202 HydrophobicContact CD1-CG 3.97Å; L198-L202 HydrophobicContact CD2-CD1 4.37Å; L198-L202 HydrophobicContact CG-CD1 3.83Å; L198-L202 HydrophobicContact CG-CG 4.23Å; L198-L202 WeakPolarHBondContact O-CG 3.34Å; L198-L202 PolarHBondContact O-N 3.16Å; L198-W222 HydrophobicContact CD2-CB 4Å; L198-W222 HydrophobicContact CD2-CD2 3.5Å; L198-W222 VanDerWaalsContact CD2-CD2 3.5Å; L198-W222 HydrophobicContact CD2-CE3 3.59Å; L198-W222 HydrophobicContact CD2-CG 3.68Å; L198-W222 HydrophobicContact CD2-CZ3 4.27Å; L198-V236 HydrophobicContact CD2-CG1 3.78Å; L198-V236 HydrophobicContact CG-CG1 4.34Å
199	I	98.3	Very high	95.5	Very high	29 Å²	29	52.1 Å²	52.1	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-57.8	-43.2	176.7	-73	173	0	0	0	110.7	M195 F201 L202 Q203 V236 H239	M195-I199 HydrophobicContact CG-CD1 3.9Å; M195-I199 HydrophobicContact CG-CG1 4.43Å; M195-I199 WeakPolarHBondContact O-CG1 3.3Å; M195-I199 PolarHBondContact O-N 3.07Å; M195-I199 HydrophobicContact SD-CD1 4.43Å; I199-F201 VanDerWaalsContact C-N 3.27Å; I199-F201 PolarHBondContact O-N 3.27Å; I199-L202 PolarHBondContact O-N 3.08Å; I199-Q203 WeakPolarHBondContact O-CB 3.29Å; I199-Q203 VanDerWaalsContact O-CG 3.24Å; I199-Q203 WeakPolarHBondContact O-CG 3.31Å; I199-Q203 PolarHBondContact O-N 3.05Å; I199-V236 HydrophobicContact CD1-CG2 4.41Å; I199-V236 HydrophobicContact CG1-CG2 4.35Å; I199-H239 WeakPolarHBondContact CG2-NE2 3.46Å
200	F	97	Very high	95.4	Very high	67 Å²	67	48.4 Å²	48.4	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-54.6	-41.7	176.2	168.6	-98.7	0	0	0	112.9	F178 E196 R197 L198	F178-F200 HydrophobicContact CE2-CE1 4.25Å; F178-F200 HydrophobicContact CE2-CZ 4.3Å; F178-F200 AromaticContact CZ-CE1 3.76Å; F178-F200 HydrophobicContact CZ-CE1 3.76Å; F178-F200 AromaticContact CZ-CZ 3.95Å; F178-F200 HydrophobicContact CZ-CZ 3.95Å; E196-F200 VanDerWaalsContact O-CB 3.28Å; E196-F200 WeakPolarHBondContact O-CB 3.43Å; E196-F200 PolarHBondContact O-N 3.35Å; R197-F200 WeakPolarHBondContact O-CB 3.33Å; R197-F200 PolarHBondContact O-N 2.87Å; L198-F200 VanDerWaalsContact C-N 3.28Å; L198-F200 PolarHBondContact O-N 3.02Å
201	F	96.9	Very high	95.3	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-73.6	-48.9	175.8	-62.1	-53.1	0	0	0	111.9	T177 F178 F181 R197 L198 I199 Q203 S204 L207	T177-F201 HydrophobicContact CG2-CD1 4.11Å; T177-F201 HydrophobicContact CG2-CD2 4.35Å; T177-F201 HydrophobicContact CG2-CE1 3.62Å; T177-F201 HydrophobicContact CG2-CE2 3.87Å; T177-F201 HydrophobicContact CG2-CG 4.47Å; T177-F201 HydrophobicContact CG2-CZ 3.5Å; T177-F201 VanDerWaalsContact CG2-CZ 3.5Å; F178-F201 HydrophobicContact CD1-CD1 4.24Å; F178-F201 AromaticContact CE1-CD1 3.71Å; F178-F201 HydrophobicContact CE1-CD1 3.71Å; F178-F201 HydrophobicContact CE1-CE1 4.45Å; F178-F201 HydrophobicContact CZ-CD1 4.04Å; F178-F201 HydrophobicContact CZ-CE1 4.45Å; F181-F201 HydrophobicContact CD2-CB 4.08Å; F181-F201 HydrophobicContact CD2-CG 4.28Å; F181-F201 HydrophobicContact CE2-CB 3.6Å; F181-F201 HydrophobicContact CE2-CD2 4.06Å; F181-F201 HydrophobicContact CE2-CG 4.01Å; F181-F201 HydrophobicContact CZ-CB 4.41Å; R197-F201 HydrophobicContact CG-CD2 4.45Å; R197-F201 HydrophobicContact CG-CE2 3.74Å; R197-F201 HydrophobicContact CG-CZ 4.29Å; R197-F201 WeakPolarHBondContact O-CD2 3.32Å; R197-F201 PolarHBondContact O-N 3.26Å; L198-F201 PolarHBondContact O-N 3.31Å; L198-F201 VanDerWaalsContact O-N 3.12Å; I199-F201 VanDerWaalsContact C-N 3.27Å; I199-F201 PolarHBondContact O-N 3.27Å; F201-Q203 VanDerWaalsContact C-N 3.28Å; F201-Q203 PolarHBondContact O-N 3.25Å; F201-S204 VanDerWaalsContact O-CB 3.31Å; F201-S204 WeakPolarHBondContact O-CB 3.41Å; F201-S204 PolarHBondContact O-N 2.97Å; F201-L207 VanDerWaalsContact O-CD1 3.24Å; F201-L207 WeakPolarHBondContact O-CD1 3.36Å
202	L	97.5	Very high	95.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-25.2	-176.6	-68.1	-179.3	0	0	0	114	F181 L198 I199 L215 A219 V236 H239 R294	F181-L202 HydrophobicContact CZ-CD2 4.27Å; L198-L202 HydrophobicContact CD1-CD1 3.94Å; L198-L202 HydrophobicContact CD1-CG 3.97Å; L198-L202 HydrophobicContact CD2-CD1 4.37Å; L198-L202 HydrophobicContact CG-CD1 3.83Å; L198-L202 HydrophobicContact CG-CG 4.23Å; L198-L202 WeakPolarHBondContact O-CG 3.34Å; L198-L202 PolarHBondContact O-N 3.16Å; I199-L202 PolarHBondContact O-N 3.08Å; L202-L215 HydrophobicContact CD2-CB 4Å; L202-L215 HydrophobicContact CD2-CD2 4.28Å; L202-A219 HydrophobicContact CD1-CB 3.99Å; L202-V236 HydrophobicContact CD1-CG1 3.77Å; L202-H239 HydrophobicContact CB-CB 3.81Å; L202-H239 VanDerWaalsContact O-O 3.1Å; L202-R294 VanDerWaalsContact O-CZ 3.28Å; L202-R294 PolarHBondContact O-NH1 3.48Å; L202-R294 PolarHBondContact O-NH2 3.22Å
203	Q	96.6	Very high	95.3	Very high	103 Å²	103	48.9 Å²	48.9	48%	0.481	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.8	175.6	73.7	-173.1	-23	0	0	113.3	I199 F201 H239	I199-Q203 WeakPolarHBondContact O-CB 3.29Å; I199-Q203 VanDerWaalsContact O-CG 3.24Å; I199-Q203 WeakPolarHBondContact O-CG 3.31Å; I199-Q203 PolarHBondContact O-N 3.05Å; F201-Q203 VanDerWaalsContact C-N 3.28Å; F201-Q203 PolarHBondContact O-N 3.25Å; Q203-H239 HydrophobicContact CB-CB 4.49Å
204	S	95.9	Very high	95.4	Very high	18 Å²	18	50.7 Å²	50.7	13%	0.126	25%	0.246	C	C	.	.			trans	-79.4	143.7	-170.6	-175.4	0	0	0	0	113.4	F178 F201 K206 R294	F178-S204 WeakPolarHBondContact CE1-OG 3.24Å; F178-S204 WeakPolarHBondContact CZ-OG 3.43Å; F201-S204 VanDerWaalsContact O-CB 3.31Å; F201-S204 WeakPolarHBondContact O-CB 3.41Å; F201-S204 PolarHBondContact O-N 2.97Å; S204-K206 VanDerWaalsContact C-N 3.31Å; S204-K206 WeakPolarHBondContact OG-CB 3.37Å; S204-K206 PolarHBondContact OG-N 3.22Å; S204-K206 VanDerWaalsContact OG-N 3.08Å; S204-R294 WeakPolarHBondContact O-CD 3.28Å; S204-R294 WeakPolarHBondContact O-CG 3.43Å; S204-R294 PolarHBondContact O-NH1 2.82Å
205	N	95.4	Very high	95.5	Very high	38 Å²	38	47 Å²	47	20%	0.203	22%	0.222	C	C	.	.	S	Bend	trans	-86.3	1.7	168.6	-78	-17.8	0	0	0	113.3	R241 D296 Q599	N205-R241 PolarHBondContact OD1-NH1 3.42Å; N205-R241 PolarHBondContact OD1-NH2 3.4Å; N205-D296 VanDerWaalsContact CB-CG 3.46Å; N205-D296 WeakPolarHBondContact CB-OD1 3.27Å; N205-D296 WeakPolarHBondContact CB-OD2 3.49Å; N205-D296 PolarHBondContact ND2-OD1 2.69Å; N205-Q599 VanDerWaalsContact O-CD 3.32Å; N205-Q599 PolarHBondContact O-NE2 3.35Å; N205-Q599 PolarHBondContact O-OE1 2.76Å
206	K	94.4	Very high	95.6	Very high	123 Å²	123	44.8 Å²	44.8	54%	0.535	21%	0.211	S	C	.	.			trans	-88.1	-11.1	-177.6	-60.8	-178.4	178.4	-180	0	114.1	F178 S204 K208	F178-K206 HydrophobicContact CB-CB 4.31Å; F178-K206 HydrophobicContact CD1-CB 3.9Å; F178-K206 HydrophobicContact CD2-CB 3.89Å; F178-K206 HydrophobicContact CD2-CD 4.17Å; F178-K206 HydrophobicContact CE1-CB 4.19Å; F178-K206 HydrophobicContact CE2-CB 4.18Å; F178-K206 HydrophobicContact CE2-CD 3.96Å; F178-K206 HydrophobicContact CG-CB 3.77Å; F178-K206 HydrophobicContact CZ-CB 4.33Å; F178-K206 HydrophobicContact CZ-CD 4.47Å; S204-K206 VanDerWaalsContact C-N 3.31Å; S204-K206 WeakPolarHBondContact OG-CB 3.37Å; S204-K206 PolarHBondContact OG-N 3.22Å; S204-K206 VanDerWaalsContact OG-N 3.08Å; K206-K208 PolarHBondContact O-N 3.41Å
207	L	94.3	Very high	95.7	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	20%	0.202	C	C	.	.			trans	-60.5	124.5	178.5	-74.3	168.9	0	0	0	110.6	F178 F181 F201 C210 L215 Q599	F178-L207 HydrophobicContact CD1-CD2 3.89Å; F178-L207 HydrophobicContact CD1-CG 4.05Å; F181-L207 HydrophobicContact CB-CD2 3.47Å; F181-L207 VanDerWaalsContact CB-CD2 3.47Å; F181-L207 HydrophobicContact CD1-CD2 3.99Å; F181-L207 HydrophobicContact CD2-CD2 3.79Å; F181-L207 HydrophobicContact CG-CD2 3.46Å; F181-L207 VanDerWaalsContact CG-CD2 3.46Å; F201-L207 VanDerWaalsContact O-CD1 3.24Å; F201-L207 WeakPolarHBondContact O-CD1 3.36Å; L207-C210 HydrophobicContact CB-CB 4.5Å; L207-L215 HydrophobicContact CD1-CD1 3.93Å; L207-L215 HydrophobicContact CD1-CD2 3.9Å; L207-Q599 PolarHBondContact O-OE1 3.04Å; L207-Q599 VanDerWaalsContact O-OE1 3.11Å
208	K	91.2	Very high	95.8	Very high	78 Å²	78	40.9 Å²	40.9	34%	0.339	20%	0.196	S	C	.	.			trans	-98.7	144.3	-179.2	-57.6	-69.4	168.4	-167.5	0	110.6	F178 R179 K206 C210 Q599	F178-K208 PolarHBondContact O-N 2.81Å; R179-K208 HydrophobicContact CG-CG 4.4Å; K206-K208 PolarHBondContact O-N 3.41Å; K208-C210 PolarHBondContact O-N 2.93Å; K208-C210 PolarHBondContact O-SG 3.17Å; K208-Q599 HydrophobicContact CD-CB 4.19Å
209	N	88.6	Confident	95.9	Very high	93 Å²	93	40.9 Å²	40.9	50%	0.497	20%	0.196	S	C	.	.	S	Bend	trans	56	32	171.7	-56.3	-41.9	0	0	0	114.5	N600	N209-N600 WeakPolarHBondContact CA-OD1 2.95Å; N209-N600 PolarHBondContact N-OD1 3.4Å; N209-N600 VanDerWaalsContact N-OD1 3.13Å
210	C	92.1	Very high	95.9	Very high	11 Å²	11	40 Å²	40	7%	0.074	19%	0.191	C	C	.	.			trans	-113.4	128.3	-179.8	-61.9	0	0	0	0	109.7	L207 K208 L215 N600	L207-C210 HydrophobicContact CB-CB 4.5Å; K208-C210 PolarHBondContact O-N 2.93Å; K208-C210 PolarHBondContact O-SG 3.17Å; C210-L215 HydrophobicContact CB-CD1 4.45Å; C210-L215 HydrophobicContact CB-CD2 3.86Å; C210-L215 HydrophobicContact CB-CG 4.14Å; C210-N600 PolarHBondContact N-OD1 3.42Å; C210-N600 PolarHBondContact O-ND2 3.43Å; C210-N600 VanDerWaalsContact O-ND2 3.13Å
211	K	94.1	Very high	95.9	Very high	122 Å²	122	40.1 Å²	40.1	53%	0.53	19%	0.19	S	C	.	.			trans	-87.8	157.7	162.4	-57.6	177.3	-179	176.7	0	109	I213 D214 L215	K211-I213 HydrophobicContact CB-CG2 3.89Å; K211-I213 HydrophobicContact CD-CG2 4.39Å; K211-I213 PolarHBondContact O-N 3.47Å; K211-D214 VanDerWaalsContact CB-OD2 3.24Å; K211-D214 WeakPolarHBondContact CB-OD2 3.39Å; K211-D214 PolarHBondContact N-OD2 2.88Å; K211-D214 WeakPolarHBondContact O-CB 3.4Å; K211-D214 PolarHBondContact O-N 2.98Å; K211-D214 VanDerWaalsContact O-N 3.08Å; K211-L215 PolarHBondContact O-N 2.89Å
212	E	96.3	Very high	96	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-32.1	178.9	-65.8	-63.7	149.4	0	0	112.2	D214 L215 F216 R241 L244 M245 R294	E212-D214 VanDerWaalsContact C-N 3.32Å; E212-D214 PolarHBondContact O-N 3.18Å; E212-L215 PolarHBondContact O-N 2.92Å; E212-F216 PolarHBondContact O-N 3.31Å; E212-R241 VanDerWaalsContact CD-CB 3.49Å; E212-R241 HydrophobicContact CG-CB 3.87Å; E212-R241 WeakPolarHBondContact OE2-CB 3.37Å; E212-R241 PolarHBondContact OE2-N 3.27Å; E212-L244 HydrophobicContact CG-CB 4.26Å; E212-M245 VanDerWaalsContact C-CE 3.47Å; E212-M245 HydrophobicContact CB-CE 3.83Å; E212-M245 HydrophobicContact CB-CG 3.91Å; E212-M245 VanDerWaalsContact O-CE 3.27Å; E212-M245 WeakPolarHBondContact O-CE 3.38Å; E212-R294 IonicContact OE1-CZ 2.8Å; E212-R294 IonicContact OE1-NE 3.49Å; E212-R294 PolarHBondContact OE1-NE 3.32Å; E212-R294 IonicContact OE1-NH2 2.81Å; E212-R294 PolarHBondContact OE1-NH2 2.96Å; E212-R294 IonicContact OE2-CZ 2.59Å; E212-R294 IonicContact OE2-NE 3.63Å; E212-R294 IonicContact OE2-NH2 3.43Å; E212-R294 PolarHBondContact OE2-NH2 2.74Å
213	I	97	Very high	96	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-36.9	174.7	-172.5	57.9	0	0	0	112.5	K211 F216 H217 E249 V254	K211-I213 HydrophobicContact CB-CG2 3.89Å; K211-I213 HydrophobicContact CD-CG2 4.39Å; K211-I213 PolarHBondContact O-N 3.47Å; I213-F216 HydrophobicContact CD1-CD1 4.08Å; I213-F216 WeakPolarHBondContact O-CB 3.31Å; I213-F216 PolarHBondContact O-N 2.91Å; I213-H217 PolarHBondContact O-N 3.4Å; I213-H217 PolarHBondContact O-ND1 2.74Å; I213-E249 HydrophobicContact CB-CG 4.5Å; I213-E249 HydrophobicContact CD1-CB 4.2Å; I213-E249 HydrophobicContact CG1-CB 4.32Å; I213-E249 HydrophobicContact CG1-CG 4.32Å; I213-V254 HydrophobicContact CD1-CG2 4.17Å
214	D	96.9	Very high	96	Very high	52 Å²	52	41.5 Å²	41.5	28%	0.278	20%	0.196	S	C	.	.	H	α-helix	trans	-68.9	-40.9	178	-50.2	-45.5	0	0	0	110.5	L182 K211 E212 F216 H217 A218	L182-D214 HydrophobicContact CD1-CB 3.9Å; L182-D214 HydrophobicContact CD2-CB 3.54Å; L182-D214 HydrophobicContact CG-CB 4.39Å; K211-D214 VanDerWaalsContact CB-OD2 3.24Å; K211-D214 WeakPolarHBondContact CB-OD2 3.39Å; K211-D214 PolarHBondContact N-OD2 2.88Å; K211-D214 WeakPolarHBondContact O-CB 3.4Å; K211-D214 PolarHBondContact O-N 2.98Å; K211-D214 VanDerWaalsContact O-N 3.08Å; E212-D214 VanDerWaalsContact C-N 3.32Å; E212-D214 PolarHBondContact O-N 3.18Å; D214-F216 VanDerWaalsContact C-N 3.32Å; D214-F216 PolarHBondContact O-N 3.42Å; D214-H217 PolarHBondContact O-N 2.9Å; D214-A218 PolarHBondContact O-N 3.08Å
215	L	97.8	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-37.4	175.4	-60.2	-177.2	0	0	0	112	F181 L182 L202 L207 C210 K211 E212 A219 R294	F181-L215 HydrophobicContact CD1-CD2 3.67Å; F181-L215 HydrophobicContact CE1-CD2 3.48Å; F181-L215 VanDerWaalsContact CE1-CD2 3.48Å; F181-L215 HydrophobicContact CZ-CD2 4.5Å; L182-L215 HydrophobicContact CD2-CD2 4.47Å; L202-L215 HydrophobicContact CD2-CB 4Å; L202-L215 HydrophobicContact CD2-CD2 4.28Å; L207-L215 HydrophobicContact CD1-CD1 3.93Å; L207-L215 HydrophobicContact CD1-CD2 3.9Å; C210-L215 HydrophobicContact CB-CD1 4.45Å; C210-L215 HydrophobicContact CB-CD2 3.86Å; C210-L215 HydrophobicContact CB-CG 4.14Å; K211-L215 PolarHBondContact O-N 2.89Å; E212-L215 PolarHBondContact O-N 2.92Å; L215-A219 WeakPolarHBondContact O-CB 3.24Å; L215-A219 PolarHBondContact O-N 3.04Å; L215-R294 VanDerWaalsContact CD1-NE 3.35Å
216	F	98.5	Very high	96	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-49.4	172.3	173.4	-108.1	0	0	0	111.4	E212 I213 D214 A218 A219 I220 L237 V240 F242 M245 V254 V257 M260	E212-F216 PolarHBondContact O-N 3.31Å; I213-F216 HydrophobicContact CD1-CD1 4.08Å; I213-F216 WeakPolarHBondContact O-CB 3.31Å; I213-F216 PolarHBondContact O-N 2.91Å; D214-F216 VanDerWaalsContact C-N 3.32Å; D214-F216 PolarHBondContact O-N 3.42Å; F216-A218 PolarHBondContact O-N 2.99Å; F216-A219 PolarHBondContact O-N 3.24Å; F216-I220 HydrophobicContact CD1-CG1 4.39Å; F216-I220 HydrophobicContact CD2-CD1 4.48Å; F216-I220 HydrophobicContact CD2-CG1 3.94Å; F216-I220 HydrophobicContact CE1-CG1 3.98Å; F216-I220 HydrophobicContact CE2-CD1 3.76Å; F216-I220 HydrophobicContact CE2-CG1 3.49Å; F216-I220 VanDerWaalsContact CE2-CG1 3.49Å; F216-I220 HydrophobicContact CG-CG1 4.38Å; F216-I220 HydrophobicContact CZ-CD1 4.01Å; F216-I220 HydrophobicContact CZ-CG1 3.52Å; F216-I220 WeakPolarHBondContact O-CG1 3.38Å; F216-I220 PolarHBondContact O-N 3.08Å; F216-L237 HydrophobicContact CD2-CD2 4.1Å; F216-L237 HydrophobicContact CE2-CD2 4.34Å; F216-V240 HydrophobicContact CB-CG1 4.11Å; F216-F242 AromaticContact CD2-CE1 3.58Å; F216-F242 HydrophobicContact CD2-CE1 3.58Å; F216-F242 AromaticContact CD2-CZ 3.97Å; F216-F242 HydrophobicContact CD2-CZ 3.97Å; F216-F242 AromaticContact CE2-CE1 3.95Å; F216-F242 HydrophobicContact CE2-CE1 3.95Å; F216-F242 HydrophobicContact CE2-CZ 4.29Å; F216-F242 HydrophobicContact CG-CE1 4.31Å; F216-M245 HydrophobicContact CB-CE 3.75Å; F216-M245 HydrophobicContact CG-CE 4.4Å; F216-V254 HydrophobicContact CD1-CG2 3.87Å; F216-V254 HydrophobicContact CE1-CB 4.16Å; F216-V254 HydrophobicContact CE1-CG1 4.37Å; F216-V254 HydrophobicContact CE1-CG2 3.82Å; F216-V254 HydrophobicContact CE2-CG1 3.98Å; F216-V254 HydrophobicContact CG-CG2 4.26Å; F216-V254 HydrophobicContact CZ-CB 4.12Å; F216-V254 HydrophobicContact CZ-CG1 3.87Å; F216-V254 HydrophobicContact CZ-CG2 4.16Å; F216-V257 HydrophobicContact CE1-CG2 4.19Å; F216-V257 HydrophobicContact CZ-CB 4.35Å; F216-V257 HydrophobicContact CZ-CG2 3.92Å; F216-M260 HydrophobicContact CE2-CG 4.06Å; F216-M260 HydrophobicContact CE2-SD 3.97Å; F216-M260 HydrophobicContact CZ-CG 4.11Å
217	H	98.4	Very high	96	Very high	91 Å²	91	48.1 Å²	48.1	42%	0.421	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-43.2	178.5	-66.5	158.4	0	0	0	112.4	I213 D214 A219 I220 R221	I213-H217 PolarHBondContact O-N 3.4Å; I213-H217 PolarHBondContact O-ND1 2.74Å; D214-H217 PolarHBondContact O-N 2.9Å; H217-A219 PolarHBondContact O-N 2.92Å; H217-I220 PolarHBondContact O-N 3.13Å; H217-R221 WeakPolarHBondContact O-CB 3.4Å; H217-R221 PolarHBondContact O-N 3.37Å
218	A	98.3	Very high	96	Very high	7 Å²	7	52.1 Å²	52.1	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-45.4	174.9	0	0	0	0	0	112	F181 A185 F190 D214 F216 R221 W222	F181-A218 HydrophobicContact CE1-CB 4.18Å; A185-A218 HydrophobicContact CB-CB 3.79Å; F190-A218 HydrophobicContact CE1-CB 4.46Å; F190-A218 HydrophobicContact CZ-CB 4.36Å; D214-A218 PolarHBondContact O-N 3.08Å; F216-A218 PolarHBondContact O-N 2.99Å; A218-R221 PolarHBondContact O-N 2.88Å; A218-W222 PolarHBondContact O-N 3.18Å; A218-W222 VanDerWaalsContact O-N 3.12Å
219	A	98.4	Very high	96.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-42.5	178.3	0	0	0	0	0	112.3	L202 L215 F216 H217 W222 L223 V236 L237	L202-A219 HydrophobicContact CD1-CB 3.99Å; L215-A219 WeakPolarHBondContact O-CB 3.24Å; L215-A219 PolarHBondContact O-N 3.04Å; F216-A219 PolarHBondContact O-N 3.24Å; H217-A219 PolarHBondContact O-N 2.92Å; A219-W222 PolarHBondContact O-N 3.33Å; A219-L223 WeakPolarHBondContact O-CB 3.2Å; A219-L223 VanDerWaalsContact O-CG 3.3Å; A219-L223 WeakPolarHBondContact O-CG 2.99Å; A219-L223 PolarHBondContact O-N 3.41Å; A219-V236 HydrophobicContact CB-CG1 4.24Å; A219-L237 HydrophobicContact CB-CD2 3.84Å
220	I	97.9	Very high	96.5	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.051	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-42.6	177.2	-69.4	-56.7	0	0	0	111.3	F216 H217 W222 L223 Q224 L237 V257 I259	F216-I220 HydrophobicContact CD1-CG1 4.39Å; F216-I220 HydrophobicContact CD2-CD1 4.48Å; F216-I220 HydrophobicContact CD2-CG1 3.94Å; F216-I220 HydrophobicContact CE1-CG1 3.98Å; F216-I220 HydrophobicContact CE2-CD1 3.76Å; F216-I220 HydrophobicContact CE2-CG1 3.49Å; F216-I220 VanDerWaalsContact CE2-CG1 3.49Å; F216-I220 HydrophobicContact CG-CG1 4.38Å; F216-I220 HydrophobicContact CZ-CD1 4.01Å; F216-I220 HydrophobicContact CZ-CG1 3.52Å; F216-I220 WeakPolarHBondContact O-CG1 3.38Å; F216-I220 PolarHBondContact O-N 3.08Å; H217-I220 PolarHBondContact O-N 3.13Å; I220-W222 VanDerWaalsContact C-N 3.29Å; I220-W222 PolarHBondContact O-N 3.43Å; I220-L223 HydrophobicContact CD1-CD1 4.26Å; I220-L223 PolarHBondContact O-N 2.99Å; I220-Q224 VanDerWaalsContact CG2-CD 3.47Å; I220-Q224 HydrophobicContact CG2-CG 4.02Å; I220-Q224 WeakPolarHBondContact O-CB 3.4Å; I220-Q224 WeakPolarHBondContact O-CG 3.17Å; I220-Q224 PolarHBondContact O-N 3.17Å; I220-L237 HydrophobicContact CD1-CD1 4.1Å; I220-L237 HydrophobicContact CD1-CD2 4.24Å; I220-V257 HydrophobicContact CD1-CG1 4.01Å; I220-V257 HydrophobicContact CG2-CG1 4.33Å; I220-I259 HydrophobicContact CD1-CD1 4.45Å
221	R	97.9	Very high	96.6	Very high	69 Å²	69	53.5 Å²	53.5	26%	0.26	27%	0.267	S	S	.	.	H	α-helix	trans	-56.7	-45	175.3	-169	-168.8	172.8	-143.1	2	111.1	A185 E186 E187 E188 L191 H217 A218 H225	A185-R221 PolarHBondContact O-NH1 3.05Å; E186-R221 VanDerWaalsContact CA-NH1 3.33Å; E186-R221 VanDerWaalsContact O-CZ 3.28Å; E186-R221 PolarHBondContact O-NH1 3.1Å; E186-R221 PolarHBondContact O-NH2 2.93Å; E187-R221 PolarHBondContact O-NH1 2.62Å; E187-R221 PolarHBondContact O-NH2 2.82Å; E188-R221 IonicContact OE1-NH2 2.66Å; E188-R221 PolarHBondContact OE1-NH2 3.04Å; L191-R221 HydrophobicContact CD2-CG 3.81Å; H217-R221 WeakPolarHBondContact O-CB 3.4Å; H217-R221 PolarHBondContact O-N 3.37Å; A218-R221 PolarHBondContact O-N 2.88Å; R221-H225 PolarHBondContact O-N 2.9Å
222	W	98.3	Very high	96.6	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-66.9	-38.9	177.1	-177.9	94.4	0	0	0	113.2	F190 I193 M195 L198 A218 A219 I220 R229 V236	F190-W222 HydrophobicContact CE1-CB 4.05Å; I193-W222 PolarHBondContact O-NE1 3.37Å; M195-W222 HydrophobicContact CB-CH2 3.68Å; M195-W222 HydrophobicContact CB-CZ2 4.06Å; M195-W222 HydrophobicContact CG-CH2 3.86Å; M195-W222 HydrophobicContact CG-CZ3 4.44Å; L198-W222 HydrophobicContact CD2-CB 4Å; L198-W222 HydrophobicContact CD2-CD2 3.5Å; L198-W222 VanDerWaalsContact CD2-CD2 3.5Å; L198-W222 HydrophobicContact CD2-CE3 3.59Å; L198-W222 HydrophobicContact CD2-CG 3.68Å; L198-W222 HydrophobicContact CD2-CZ3 4.27Å; A218-W222 PolarHBondContact O-N 3.18Å; A218-W222 VanDerWaalsContact O-N 3.12Å; A219-W222 PolarHBondContact O-N 3.33Å; I220-W222 VanDerWaalsContact C-N 3.29Å; I220-W222 PolarHBondContact O-N 3.43Å; W222-R229 VanDerWaalsContact CE2-NH1 3.31Å; W222-R229 HydrophobicContact CH2-CB 4.45Å; W222-R229 HydrophobicContact CH2-CG 4.06Å; W222-R229 HydrophobicContact CZ3-CB 4.15Å; W222-R229 HydrophobicContact CZ3-CG 4.2Å; W222-R229 PolarHBondContact O-NH1 3.45Å; W222-V236 HydrophobicContact CZ3-CG2 4.13Å
223	L	97.8	Very high	96.6	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-37.1	178.1	-76.3	168.3	0	0	0	112.6	A219 I220 H225 R229 A233 V236 L237 I259	A219-L223 WeakPolarHBondContact O-CB 3.2Å; A219-L223 VanDerWaalsContact O-CG 3.3Å; A219-L223 WeakPolarHBondContact O-CG 2.99Å; A219-L223 PolarHBondContact O-N 3.41Å; I220-L223 HydrophobicContact CD1-CD1 4.26Å; I220-L223 PolarHBondContact O-N 2.99Å; L223-H225 VanDerWaalsContact C-N 3.33Å; L223-R229 HydrophobicContact CD2-CB 4.1Å; L223-A233 HydrophobicContact CD1-CB 3.97Å; L223-A233 HydrophobicContact CD2-CB 4.17Å; L223-V236 HydrophobicContact CD2-CG2 4.44Å; L223-L237 HydrophobicContact CD1-CD1 4.05Å; L223-L237 HydrophobicContact CD1-CD2 4.24Å; L223-L237 HydrophobicContact CD1-CG 3.98Å; L223-I259 HydrophobicContact CB-CD1 4.27Å
224	Q	96.3	Very high	96.7	Very high	124 Å²	124	51.4 Å²	51.4	58%	0.579	26%	0.26	S	S	*	.	H	α-helix	trans	-77.5	-18.4	-178.4	-73.9	178.1	-21.5	0	0	113.4	I220 D226	I220-Q224 VanDerWaalsContact CG2-CD 3.47Å; I220-Q224 HydrophobicContact CG2-CG 4.02Å; I220-Q224 WeakPolarHBondContact O-CB 3.4Å; I220-Q224 WeakPolarHBondContact O-CG 3.17Å; I220-Q224 PolarHBondContact O-N 3.17Å; Q224-D226 VanDerWaalsContact C-N 3.26Å; Q224-D226 PolarHBondContact O-N 3.45Å
225	H	96.9	Very high	96.7	Very high	85 Å²	85	51.1 Å²	51.1	39%	0.394	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.8	178.4	-177.2	75.3	0	0	0	113.2	L191 R221 L223	L191-H225 HydrophobicContact CB-CB 4.23Å; L191-H225 HydrophobicContact CD1-CB 4.4Å; L191-H225 WeakPolarHBondContact CD1-ND1 3.37Å; L191-H225 HydrophobicContact CD2-CB 4.36Å; R221-H225 PolarHBondContact O-N 2.9Å; L223-H225 VanDerWaalsContact C-N 3.33Å
226	D	95.6	Very high	96.7	Very high	58 Å²	58	51.1 Å²	51.1	31%	0.31	26%	0.262	S	S	.	.			trans	-142.9	112.4	-177.5	167	8.1	0	0	0	109.9	Q224 S228 R229	Q224-D226 VanDerWaalsContact C-N 3.26Å; Q224-D226 PolarHBondContact O-N 3.45Å; D226-S228 PolarHBondContact O-N 2.87Å; D226-S228 VanDerWaalsContact O-N 3.1Å; D226-S228 VanDerWaalsContact OD1-CB 3.26Å; D226-S228 WeakPolarHBondContact OD1-CB 3.49Å; D226-S228 PolarHBondContact OD1-N 3.37Å; D226-S228 PolarHBondContact OD1-OG 2.98Å; D226-S228 PolarHBondContact OD2-OG 3.47Å; D226-S228 VanDerWaalsContact OD2-OG 3.09Å; D226-R229 HydrophobicContact CB-CG 4.03Å; D226-R229 VanDerWaalsContact O-CB 3.3Å; D226-R229 WeakPolarHBondContact O-CB 3.29Å; D226-R229 WeakPolarHBondContact O-CG 3.48Å; D226-R229 PolarHBondContact O-N 3.43Å; D226-R229 IonicContact OD2-CZ 3.06Å; D226-R229 IonicContact OD2-NE 2.8Å; D226-R229 PolarHBondContact OD2-NE 2.83Å; D226-R229 VanDerWaalsContact OD2-NE 3.17Å; D226-R229 IonicContact OD2-NH2 2.76Å
227	E	93.4	Very high	96.7	Very high	176 Å²	176	51.1 Å²	51.1	82%	0.822	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-57.9	-27	-175.6	-65.9	-171.9	163.8	0	0	113.2	R229 R230	E227-R229 PolarHBondContact O-N 3.17Å; E227-R230 VanDerWaalsContact O-CB 3.27Å; E227-R230 WeakPolarHBondContact O-CB 3.48Å; E227-R230 PolarHBondContact O-N 3.09Å; E227-R230 VanDerWaalsContact O-N 3.14Å
228	S	95.3	Very high	96.7	Very high	87 Å²	87	48.4 Å²	48.4	61%	0.608	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-63.9	-24.5	178.5	75	0	0	0	0	112.5	D226 R230	D226-S228 PolarHBondContact O-N 2.87Å; D226-S228 VanDerWaalsContact O-N 3.1Å; D226-S228 VanDerWaalsContact OD1-CB 3.26Å; D226-S228 WeakPolarHBondContact OD1-CB 3.49Å; D226-S228 PolarHBondContact OD1-N 3.37Å; D226-S228 PolarHBondContact OD1-OG 2.98Å; D226-S228 PolarHBondContact OD2-OG 3.47Å; D226-S228 VanDerWaalsContact OD2-OG 3.09Å; S228-R230 VanDerWaalsContact C-N 3.27Å; S228-R230 PolarHBondContact O-N 3.21Å
229	R	95.6	Very high	96.7	Very high	40 Å²	40	50.2 Å²	50.2	15%	0.151	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-74.8	-16.2	179.4	-57.5	172.2	-174.1	179.2	-0.1	112.7	L191 W222 L223 D226 E227 A231 Q232 A233	L191-R229 PolarHBondContact O-NH1 2.99Å; L191-R229 PolarHBondContact O-NH2 2.9Å; W222-R229 VanDerWaalsContact CE2-NH1 3.31Å; W222-R229 HydrophobicContact CH2-CB 4.45Å; W222-R229 HydrophobicContact CH2-CG 4.06Å; W222-R229 HydrophobicContact CZ3-CB 4.15Å; W222-R229 HydrophobicContact CZ3-CG 4.2Å; W222-R229 PolarHBondContact O-NH1 3.45Å; L223-R229 HydrophobicContact CD2-CB 4.1Å; D226-R229 HydrophobicContact CB-CG 4.03Å; D226-R229 VanDerWaalsContact O-CB 3.3Å; D226-R229 WeakPolarHBondContact O-CB 3.29Å; D226-R229 WeakPolarHBondContact O-CG 3.48Å; D226-R229 PolarHBondContact O-N 3.43Å; D226-R229 IonicContact OD2-CZ 3.06Å; D226-R229 IonicContact OD2-NE 2.8Å; D226-R229 PolarHBondContact OD2-NE 2.83Å; D226-R229 VanDerWaalsContact OD2-NE 3.17Å; D226-R229 IonicContact OD2-NH2 2.76Å; E227-R229 PolarHBondContact O-N 3.17Å; R229-A231 PolarHBondContact O-N 3.23Å; R229-A231 VanDerWaalsContact O-N 3.17Å; R229-Q232 PolarHBondContact O-N 3.01Å; R229-A233 PolarHBondContact O-N 2.66Å
230	R	93.6	Very high	96.6	Very high	94 Å²	94	50.2 Å²	50.2	36%	0.355	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-55.7	-36.9	-177.5	-168	179.3	-172.3	89.5	-1.5	112.5	E227 S228 Q232 A233 I259 E262	E227-R230 VanDerWaalsContact O-CB 3.27Å; E227-R230 WeakPolarHBondContact O-CB 3.48Å; E227-R230 PolarHBondContact O-N 3.09Å; E227-R230 VanDerWaalsContact O-N 3.14Å; S228-R230 VanDerWaalsContact C-N 3.27Å; S228-R230 PolarHBondContact O-N 3.21Å; R230-Q232 PolarHBondContact O-N 3.01Å; R230-A233 VanDerWaalsContact O-CB 3.3Å; R230-A233 WeakPolarHBondContact O-CB 3.33Å; R230-A233 PolarHBondContact O-N 2.85Å; R230-I259 HydrophobicContact CG-CG1 4.44Å; R230-E262 IonicContact CZ-OE2 2.68Å; R230-E262 IonicContact NE-OE2 3.5Å; R230-E262 VanDerWaalsContact NH2-CD 3.26Å; R230-E262 IonicContact NH2-OE1 2.63Å; R230-E262 IonicContact NH2-OE2 2.72Å; R230-E262 PolarHBondContact NH2-OE2 3.38Å
231	A	93.7	Very high	96.6	Very high	77 Å²	77	50.7 Å²	50.7	64%	0.636	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-64.9	-19.9	178.2	0	0	0	0	0	113.9	R229	R229-A231 PolarHBondContact O-N 3.23Å; R229-A231 VanDerWaalsContact O-N 3.17Å
232	Q	94.9	Very high	96.6	Very high	86 Å²	86	47.4 Å²	47.4	40%	0.402	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-105	7.3	179.5	-59.7	-59.1	-34.3	0	0	112.8	M195 R229 R230 S234 S235 V236	M195-Q232 HydrophobicContact SD-CB 3.74Å; M195-Q232 HydrophobicContact SD-CG 4.12Å; R229-Q232 PolarHBondContact O-N 3.01Å; R230-Q232 PolarHBondContact O-N 3.01Å; Q232-S234 VanDerWaalsContact C-N 3.29Å; Q232-S234 PolarHBondContact O-N 3.06Å; Q232-S235 WeakPolarHBondContact O-CB 3.45Å; Q232-S235 PolarHBondContact O-N 2.92Å; Q232-S235 PolarHBondContact OE1-OG 2.65Å; Q232-V236 PolarHBondContact O-N 3.22Å
233	A	96.9	Very high	96.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.5	-42.6	-175.3	0	0	0	0	0	112.7	L223 R229 R230 S235 V236 L237 I259	L223-A233 HydrophobicContact CD1-CB 3.97Å; L223-A233 HydrophobicContact CD2-CB 4.17Å; R229-A233 PolarHBondContact O-N 2.66Å; R230-A233 VanDerWaalsContact O-CB 3.3Å; R230-A233 WeakPolarHBondContact O-CB 3.33Å; R230-A233 PolarHBondContact O-N 2.85Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 3.21Å; A233-V236 PolarHBondContact O-N 3.39Å; A233-L237 HydrophobicContact CB-CD1 4.43Å; A233-L237 VanDerWaalsContact O-CB 3.31Å; A233-L237 WeakPolarHBondContact O-CB 3.33Å; A233-L237 VanDerWaalsContact O-CG 3.29Å; A233-L237 WeakPolarHBondContact O-CG 3.4Å; A233-L237 PolarHBondContact O-N 2.96Å; A233-I259 HydrophobicContact CB-CG2 3.42Å; A233-I259 VanDerWaalsContact CB-CG2 3.42Å
234	S	97.7	Very high	96.5	Very high	12 Å²	12	47.5 Å²	47.5	8%	0.084	25%	0.25	C	S	.	.	H	α-helix	trans	-65.4	-30.3	178.7	52.9	0	0	0	0	113.7	Q232 C238 Y269	Q232-S234 VanDerWaalsContact C-N 3.29Å; Q232-S234 PolarHBondContact O-N 3.06Å; S234-C238 VanDerWaalsContact O-CB 3.32Å; S234-C238 WeakPolarHBondContact O-CB 3.41Å; S234-C238 PolarHBondContact O-N 2.88Å; S234-C238 VanDerWaalsContact O-N 3.15Å; S234-Y269 WeakPolarHBondContact O-CE2 3.41Å; S234-Y269 PolarHBondContact O-OH 2.88Å; S234-Y269 VanDerWaalsContact O-OH 3.1Å
235	S	97.7	Very high	96.5	Very high	47 Å²	47	41.6 Å²	41.6	33%	0.329	22%	0.222	S	C	.	.	H	α-helix	trans	-70.9	-31.7	174.7	-55.4	0	0	0	0	112.3	Q232 A233 C238 H239	Q232-S235 WeakPolarHBondContact O-CB 3.45Å; Q232-S235 PolarHBondContact O-N 2.92Å; Q232-S235 PolarHBondContact OE1-OG 2.65Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 3.21Å; S235-C238 PolarHBondContact O-SG 3.35Å; S235-H239 PolarHBondContact O-CD2 3.2Å; S235-H239 VanDerWaalsContact O-CD2 3.29Å; S235-H239 PolarHBondContact O-NE2 3.23Å
236	V	98.1	Very high	96.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-81.9	-49.6	176.1	177.2	0	0	0	0	110.5	M195 L198 I199 L202 A219 W222 L223 Q232 A233 C238 H239	M195-V236 HydrophobicContact CG-CG2 3.9Å; M195-V236 HydrophobicContact SD-CG2 4.17Å; L198-V236 HydrophobicContact CD2-CG1 3.78Å; L198-V236 HydrophobicContact CG-CG1 4.34Å; I199-V236 HydrophobicContact CD1-CG2 4.41Å; I199-V236 HydrophobicContact CG1-CG2 4.35Å; L202-V236 HydrophobicContact CD1-CG1 3.77Å; A219-V236 HydrophobicContact CB-CG1 4.24Å; W222-V236 HydrophobicContact CZ3-CG2 4.13Å; L223-V236 HydrophobicContact CD2-CG2 4.44Å; Q232-V236 PolarHBondContact O-N 3.22Å; A233-V236 PolarHBondContact O-N 3.39Å; V236-C238 VanDerWaalsContact C-N 3.27Å; V236-C238 PolarHBondContact O-N 2.93Å; V236-H239 PolarHBondContact O-N 2.68Å
237	L	98.1	Very high	96.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-73.2	-15.9	-172.4	-65.9	174.3	0	0	0	113.2	F216 A219 I220 L223 A233 H239 V240 F242 I259 M260	F216-L237 HydrophobicContact CD2-CD2 4.1Å; F216-L237 HydrophobicContact CE2-CD2 4.34Å; A219-L237 HydrophobicContact CB-CD2 3.84Å; I220-L237 HydrophobicContact CD1-CD1 4.1Å; I220-L237 HydrophobicContact CD1-CD2 4.24Å; L223-L237 HydrophobicContact CD1-CD1 4.05Å; L223-L237 HydrophobicContact CD1-CD2 4.24Å; L223-L237 HydrophobicContact CD1-CG 3.98Å; A233-L237 HydrophobicContact CB-CD1 4.43Å; A233-L237 VanDerWaalsContact O-CB 3.31Å; A233-L237 WeakPolarHBondContact O-CB 3.33Å; A233-L237 VanDerWaalsContact O-CG 3.29Å; A233-L237 WeakPolarHBondContact O-CG 3.4Å; A233-L237 PolarHBondContact O-N 2.96Å; L237-H239 PolarHBondContact O-N 2.74Å; L237-H239 VanDerWaalsContact O-N 3.14Å; L237-V240 HydrophobicContact CD2-CG2 4.33Å; L237-V240 PolarHBondContact O-N 2.93Å; L237-V240 VanDerWaalsContact O-N 3.09Å; L237-F242 HydrophobicContact CB-CE2 4.43Å; L237-F242 HydrophobicContact CB-CZ 4.29Å; L237-F242 VanDerWaalsContact O-CE2 3.31Å; L237-F242 WeakPolarHBondContact O-CE2 3.38Å; L237-I259 HydrophobicContact CD1-CG2 4.11Å; L237-M260 HydrophobicContact CD1-SD 3.74Å
238	C	97.7	Very high	96.4	Very high	34 Å²	34	35.6 Å²	35.6	23%	0.23	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.2	172.4	73.5	0	0	0	0	113.2	S234 S235 V236 Y269 R290	S234-C238 VanDerWaalsContact O-CB 3.32Å; S234-C238 WeakPolarHBondContact O-CB 3.41Å; S234-C238 PolarHBondContact O-N 2.88Å; S234-C238 VanDerWaalsContact O-N 3.15Å; S235-C238 PolarHBondContact O-SG 3.35Å; V236-C238 VanDerWaalsContact C-N 3.27Å; V236-C238 PolarHBondContact O-N 2.93Å; C238-Y269 HydrophobicContact CB-CE2 3.78Å; C238-Y269 WeakPolarHBondContact CB-OH 3.36Å; C238-R290 WeakPolarHBondContact O-CD 3.37Å
239	H	98.3	Very high	96.5	Very high	46 Å²	46	33.1 Å²	33.1	21%	0.213	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.7	177.8	-60.4	-66.8	0	0	0	113.6	I199 L202 Q203 S235 V236 L237 R294	I199-H239 WeakPolarHBondContact CG2-NE2 3.46Å; L202-H239 HydrophobicContact CB-CB 3.81Å; L202-H239 VanDerWaalsContact O-O 3.1Å; Q203-H239 HydrophobicContact CB-CB 4.49Å; S235-H239 PolarHBondContact O-CD2 3.2Å; S235-H239 VanDerWaalsContact O-CD2 3.29Å; S235-H239 PolarHBondContact O-NE2 3.23Å; V236-H239 PolarHBondContact O-N 2.68Å; L237-H239 PolarHBondContact O-N 2.74Å; L237-H239 VanDerWaalsContact O-N 3.14Å; H239-R294 PolarHBondContact O-NH2 2.83Å
240	V	98	Very high	96.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-87.9	132.3	170.6	179.8	0	0	0	0	109.3	F216 L237 F242 M245	F216-V240 HydrophobicContact CB-CG1 4.11Å; L237-V240 HydrophobicContact CD2-CG2 4.33Å; L237-V240 PolarHBondContact O-N 2.93Å; L237-V240 VanDerWaalsContact O-N 3.09Å; V240-F242 HydrophobicContact CB-CD2 4.45Å; V240-F242 HydrophobicContact CB-CE1 4.39Å; V240-F242 HydrophobicContact CB-CE2 3.95Å; V240-F242 HydrophobicContact CB-CZ 3.92Å; V240-F242 HydrophobicContact CG1-CD1 4.15Å; V240-F242 HydrophobicContact CG1-CD2 4.46Å; V240-F242 HydrophobicContact CG1-CE1 3.89Å; V240-F242 HydrophobicContact CG1-CE2 4.23Å; V240-F242 HydrophobicContact CG1-CG 4.43Å; V240-F242 HydrophobicContact CG1-CZ 3.94Å; V240-F242 WeakPolarHBondContact O-CD2 3.31Å; V240-F242 PolarHBondContact O-N 2.8Å; V240-M245 HydrophobicContact CG1-CE 3.4Å
241	R	97.6	Very high	96.7	Very high	20 Å²	20	29.9 Å²	29.9	8%	0.075	18%	0.182	C	C	.	.			trans	-93.7	67.5	-173.3	-55.2	-175.9	-169.9	179.8	5.3	110.6	N205 E212 P243 L244 R290 L292 I293 R294	N205-R241 PolarHBondContact OD1-NH1 3.42Å; N205-R241 PolarHBondContact OD1-NH2 3.4Å; E212-R241 VanDerWaalsContact CD-CB 3.49Å; E212-R241 HydrophobicContact CG-CB 3.87Å; E212-R241 WeakPolarHBondContact OE2-CB 3.37Å; E212-R241 PolarHBondContact OE2-N 3.27Å; R241-P243 VanDerWaalsContact C-N 3.29Å; R241-L244 HydrophobicContact CB-CB 4.41Å; R241-L244 HydrophobicContact CB-CD1 4.14Å; R241-L244 HydrophobicContact CB-CG 4.28Å; R241-L244 WeakPolarHBondContact O-CB 3.43Å; R241-L244 PolarHBondContact O-N 3.02Å; R241-R290 VanDerWaalsContact CB-O 3.31Å; R241-R290 WeakPolarHBondContact CB-O 3.43Å; R241-L292 WeakPolarHBondContact CD-O 3.33Å; R241-L292 PolarHBondContact NH1-O 2.92Å; R241-I293 PolarHBondContact NH1-O 3.1Å; R241-R294 VanDerWaalsContact NH1-N 3.13Å
242	F	97.9	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-50.1	-37.6	179.9	-58.8	-78	0	0	0	115.1	F216 L237 V240 L244 M245 L250 V254 M260 Y269 A273	F216-F242 AromaticContact CD2-CE1 3.58Å; F216-F242 HydrophobicContact CD2-CE1 3.58Å; F216-F242 AromaticContact CD2-CZ 3.97Å; F216-F242 HydrophobicContact CD2-CZ 3.97Å; F216-F242 AromaticContact CE2-CE1 3.95Å; F216-F242 HydrophobicContact CE2-CE1 3.95Å; F216-F242 HydrophobicContact CE2-CZ 4.29Å; F216-F242 HydrophobicContact CG-CE1 4.31Å; L237-F242 HydrophobicContact CB-CE2 4.43Å; L237-F242 HydrophobicContact CB-CZ 4.29Å; L237-F242 VanDerWaalsContact O-CE2 3.31Å; L237-F242 WeakPolarHBondContact O-CE2 3.38Å; V240-F242 HydrophobicContact CB-CD2 4.45Å; V240-F242 HydrophobicContact CB-CE1 4.39Å; V240-F242 HydrophobicContact CB-CE2 3.95Å; V240-F242 HydrophobicContact CB-CZ 3.92Å; V240-F242 HydrophobicContact CG1-CD1 4.15Å; V240-F242 HydrophobicContact CG1-CD2 4.46Å; V240-F242 HydrophobicContact CG1-CE1 3.89Å; V240-F242 HydrophobicContact CG1-CE2 4.23Å; V240-F242 HydrophobicContact CG1-CG 4.43Å; V240-F242 HydrophobicContact CG1-CZ 3.94Å; V240-F242 WeakPolarHBondContact O-CD2 3.31Å; V240-F242 PolarHBondContact O-N 2.8Å; F242-L244 PolarHBondContact O-N 3.48Å; F242-M245 HydrophobicContact CD1-CE 3.57Å; F242-M245 HydrophobicContact CD1-SD 3.74Å; F242-M245 HydrophobicContact CE1-CE 3.94Å; F242-M245 HydrophobicContact CE1-SD 4.49Å; F242-M245 HydrophobicContact CG-CE 4.4Å; F242-M245 WeakPolarHBondContact O-CB 3.36Å; F242-M245 PolarHBondContact O-N 3.31Å; F242-L250 HydrophobicContact CB-CD2 4.2Å; F242-L250 HydrophobicContact CD1-CD2 4.4Å; F242-V254 HydrophobicContact CD1-CG1 3.9Å; F242-V254 HydrophobicContact CD1-CG2 4.41Å; F242-V254 HydrophobicContact CE1-CG1 3.67Å; F242-V254 HydrophobicContact CE1-CG2 4.44Å; F242-M260 HydrophobicContact CE1-CE 3.98Å; F242-M260 HydrophobicContact CE2-CE 4.29Å; F242-M260 HydrophobicContact CZ-CE 3.79Å; F242-M260 HydrophobicContact CZ-SD 4.2Å; F242-Y269 HydrophobicContact CE2-CD2 4.15Å; F242-A273 HydrophobicContact CB-CB 3.63Å
243	P	97.4	Very high	97	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-57.1	-20.7	174.9	-27.6	37	0	0	0	114.6	R241 E272 A273 Y276 Q277 R290 T291	R241-P243 VanDerWaalsContact C-N 3.29Å; P243-E272 HydrophobicContact CG-CG 4.21Å; P243-A273 HydrophobicContact CG-CB 4.42Å; P243-Y276 HydrophobicContact CB-CD1 3.8Å; P243-Y276 HydrophobicContact CB-CD2 4.4Å; P243-Y276 HydrophobicContact CB-CE1 4.4Å; P243-Y276 HydrophobicContact CB-CG 3.79Å; P243-Y276 WeakPolarHBondContact O-CD1 3.43Å; P243-Q277 PolarHBondContact O-NE2 3.32Å; P243-R290 HydrophobicContact CG-CB 4.32Å; P243-T291 HydrophobicContact CB-CG2 3.93Å; P243-T291 HydrophobicContact CG-CG2 4.11Å
244	L	95.8	Very high	97	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.063	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-96.2	13	177.7	-58.3	-173	0	0	0	113.1	E212 R241 F242 L292 H378	E212-L244 HydrophobicContact CG-CB 4.26Å; R241-L244 HydrophobicContact CB-CB 4.41Å; R241-L244 HydrophobicContact CB-CD1 4.14Å; R241-L244 HydrophobicContact CB-CG 4.28Å; R241-L244 WeakPolarHBondContact O-CB 3.43Å; R241-L244 PolarHBondContact O-N 3.02Å; F242-L244 PolarHBondContact O-N 3.48Å; L244-L292 WeakPolarHBondContact CD1-O 3.45Å; L244-H378 PolarHBondContact O-CE1 3.41Å; L244-H378 VanDerWaalsContact O-CE1 3.31Å; L244-H378 PolarHBondContact O-NE2 2.91Å
245	M	95.8	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-92	156.5	169.8	-65.5	175.1	-175.9	0	0	110.9	E212 F216 V240 F242 E249 L250 V254 Q277	E212-M245 VanDerWaalsContact C-CE 3.47Å; E212-M245 HydrophobicContact CB-CE 3.83Å; E212-M245 HydrophobicContact CB-CG 3.91Å; E212-M245 VanDerWaalsContact O-CE 3.27Å; E212-M245 WeakPolarHBondContact O-CE 3.38Å; F216-M245 HydrophobicContact CB-CE 3.75Å; F216-M245 HydrophobicContact CG-CE 4.4Å; V240-M245 HydrophobicContact CG1-CE 3.4Å; F242-M245 HydrophobicContact CD1-CE 3.57Å; F242-M245 HydrophobicContact CD1-SD 3.74Å; F242-M245 HydrophobicContact CE1-CE 3.94Å; F242-M245 HydrophobicContact CE1-SD 4.49Å; F242-M245 HydrophobicContact CG-CE 4.4Å; F242-M245 WeakPolarHBondContact O-CB 3.36Å; F242-M245 PolarHBondContact O-N 3.31Å; M245-E249 HydrophobicContact CB-CB 4.36Å; M245-L250 HydrophobicContact CB-CD2 3.89Å; M245-L250 HydrophobicContact CB-CG 3.93Å; M245-L250 HydrophobicContact CG-CD2 4.43Å; M245-L250 HydrophobicContact SD-CD2 3.77Å; M245-V254 HydrophobicContact CE-CG2 4.42Å; M245-V254 HydrophobicContact SD-CG2 3.66Å; M245-Q277 PolarHBondContact O-NE2 3.2Å
246	L	94.1	Very high	96.9	Very high	68 Å²	68	34.9 Å²	34.9	36%	0.356	20%	0.2	S	C	.	.			trans	-66.2	149.5	170.3	-64	173.6	0	0	0	110.2	S248 E249 L250 L379	L246-S248 PolarHBondContact O-N 2.86Å; L246-E249 HydrophobicContact CB-CB 4.37Å; L246-E249 HydrophobicContact CB-CG 3.96Å; L246-E249 PolarHBondContact N-OE2 3.36Å; L246-E249 WeakPolarHBondContact O-CB 3.38Å; L246-E249 PolarHBondContact O-N 3.24Å; L246-L250 PolarHBondContact O-N 3.02Å; L246-L250 VanDerWaalsContact O-N 3.07Å; L246-L379 HydrophobicContact CD2-CD2 3.75Å
247	S	94.7	Very high	96.9	Very high	60 Å²	60	36 Å²	36	42%	0.42	21%	0.207	S	C	.	.	H	α-helix	trans	-57.2	-35.4	177.4	-65.8	0	0	0	0	112.8	V251	S247-V251 WeakPolarHBondContact O-CG2 3.14Å; S247-V251 PolarHBondContact O-N 2.9Å
248	S	95.9	Very high	96.8	Very high	64 Å²	64	41 Å²	41	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-67.5	-40.3	175	53.3	0	0	0	0	112.5	L246 L250 V251 D252	L246-S248 PolarHBondContact O-N 2.86Å; S248-L250 VanDerWaalsContact C-N 3.32Å; S248-L250 PolarHBondContact O-N 2.97Å; S248-V251 PolarHBondContact O-N 3.3Å; S248-D252 VanDerWaalsContact O-CB 3.24Å; S248-D252 WeakPolarHBondContact O-CB 3.26Å; S248-D252 VanDerWaalsContact O-CG 3.29Å; S248-D252 PolarHBondContact O-N 3.32Å
249	E	97.1	Very high	96.7	Very high	36 Å²	36	39.6 Å²	39.6	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-40.5	177.7	-66.1	168.9	160.4	0	0	110.9	I213 M245 L246 S253 V254	I213-E249 HydrophobicContact CB-CG 4.5Å; I213-E249 HydrophobicContact CD1-CB 4.2Å; I213-E249 HydrophobicContact CG1-CB 4.32Å; I213-E249 HydrophobicContact CG1-CG 4.32Å; M245-E249 HydrophobicContact CB-CB 4.36Å; L246-E249 HydrophobicContact CB-CB 4.37Å; L246-E249 HydrophobicContact CB-CG 3.96Å; L246-E249 PolarHBondContact N-OE2 3.36Å; L246-E249 WeakPolarHBondContact O-CB 3.38Å; L246-E249 PolarHBondContact O-N 3.24Å; E249-S253 WeakPolarHBondContact O-CB 3.42Å; E249-S253 PolarHBondContact O-N 3.46Å; E249-S253 VanDerWaalsContact O-N 3.11Å; E249-V254 PolarHBondContact O-N 2.81Å; E249-V254 VanDerWaalsContact O-N 3.09Å
250	L	97.6	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-63	-43.6	176.9	-68.2	173.1	0	0	0	112.4	F242 M245 L246 S248 V254 Q255 L270 A273 F274 Q277	F242-L250 HydrophobicContact CB-CD2 4.2Å; F242-L250 HydrophobicContact CD1-CD2 4.4Å; M245-L250 HydrophobicContact CB-CD2 3.89Å; M245-L250 HydrophobicContact CB-CG 3.93Å; M245-L250 HydrophobicContact CG-CD2 4.43Å; M245-L250 HydrophobicContact SD-CD2 3.77Å; L246-L250 PolarHBondContact O-N 3.02Å; L246-L250 VanDerWaalsContact O-N 3.07Å; S248-L250 VanDerWaalsContact C-N 3.32Å; S248-L250 PolarHBondContact O-N 2.97Å; L250-V254 HydrophobicContact CD2-CB 4.45Å; L250-V254 HydrophobicContact CD2-CG2 4.26Å; L250-V254 PolarHBondContact O-N 3.37Å; L250-Q255 VanDerWaalsContact O-CB 3.26Å; L250-Q255 WeakPolarHBondContact O-CB 3.47Å; L250-Q255 PolarHBondContact O-N 2.92Å; L250-L270 HydrophobicContact CB-CD1 4.41Å; L250-L270 HydrophobicContact CD2-CD1 4.08Å; L250-A273 HydrophobicContact CD1-CB 3.82Å; L250-A273 HydrophobicContact CD2-CB 4.03Å; L250-F274 HydrophobicContact CB-CE1 3.9Å; L250-F274 HydrophobicContact CB-CZ 4.16Å; L250-F274 HydrophobicContact CD1-CD1 4.39Å; L250-F274 HydrophobicContact CD1-CE1 4.43Å; L250-Q277 HydrophobicContact CD1-CG 4.11Å
251	V	96.9	Very high	96.4	Very high	65 Å²	65	41.2 Å²	41.2	39%	0.394	24%	0.236	S	C	.	.	I	π-helix	trans	-78	-48.9	-177.3	175.8	0	0	0	0	111.8	S247 S248 F274	S247-V251 WeakPolarHBondContact O-CG2 3.14Å; S247-V251 PolarHBondContact O-N 2.9Å; S248-V251 PolarHBondContact O-N 3.3Å; V251-F274 HydrophobicContact CG2-CE1 3.73Å; V251-F274 HydrophobicContact CG2-CZ 3.92Å
252	D	96.9	Very high	96.2	Very high	111 Å²	111	46 Å²	46	59%	0.594	26%	0.26	S	S	*	.	I	π-helix	trans	-82.1	-26.6	-168.6	-59.7	-25.3	0	0	0	112.3	S248 T256	S248-D252 VanDerWaalsContact O-CB 3.24Å; S248-D252 WeakPolarHBondContact O-CB 3.26Å; S248-D252 VanDerWaalsContact O-CG 3.29Å; S248-D252 PolarHBondContact O-N 3.32Å; D252-T256 WeakPolarHBondContact O-CG2 3.39Å; D252-T256 PolarHBondContact O-OG1 3.18Å
253	S	96.8	Very high	96.2	Very high	41 Å²	41	48 Å²	48	29%	0.287	27%	0.271	S	S	.	.	I	π-helix	trans	-120.6	-46.2	-173.9	-52.8	0	0	0	0	113.9	E249 T256	E249-S253 WeakPolarHBondContact O-CB 3.42Å; E249-S253 PolarHBondContact O-N 3.46Å; E249-S253 VanDerWaalsContact O-N 3.11Å; S253-T256 PolarHBondContact O-OG1 3.02Å
254	V	97.7	Very high	96.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.294	C	S	.	.	I	π-helix	trans	-78.5	-49.8	-174.4	-179	0	0	0	0	111.9	I213 F216 F242 M245 E249 L250 T256 V257 M260 L270	I213-V254 HydrophobicContact CD1-CG2 4.17Å; F216-V254 HydrophobicContact CD1-CG2 3.87Å; F216-V254 HydrophobicContact CE1-CB 4.16Å; F216-V254 HydrophobicContact CE1-CG1 4.37Å; F216-V254 HydrophobicContact CE1-CG2 3.82Å; F216-V254 HydrophobicContact CE2-CG1 3.98Å; F216-V254 HydrophobicContact CG-CG2 4.26Å; F216-V254 HydrophobicContact CZ-CB 4.12Å; F216-V254 HydrophobicContact CZ-CG1 3.87Å; F216-V254 HydrophobicContact CZ-CG2 4.16Å; F242-V254 HydrophobicContact CD1-CG1 3.9Å; F242-V254 HydrophobicContact CD1-CG2 4.41Å; F242-V254 HydrophobicContact CE1-CG1 3.67Å; F242-V254 HydrophobicContact CE1-CG2 4.44Å; M245-V254 HydrophobicContact CE-CG2 4.42Å; M245-V254 HydrophobicContact SD-CG2 3.66Å; E249-V254 PolarHBondContact O-N 2.81Å; E249-V254 VanDerWaalsContact O-N 3.09Å; L250-V254 HydrophobicContact CD2-CB 4.45Å; L250-V254 HydrophobicContact CD2-CG2 4.26Å; L250-V254 PolarHBondContact O-N 3.37Å; V254-T256 PolarHBondContact O-N 3.38Å; V254-V257 PolarHBondContact O-N 3.39Å; V254-M260 HydrophobicContact CG1-CE 3.75Å; V254-M260 HydrophobicContact CG1-CG 3.99Å; V254-M260 HydrophobicContact CG1-SD 4.34Å; V254-M260 WeakPolarHBondContact O-CG 3.19Å; V254-L270 HydrophobicContact CG1-CD1 4.07Å
255	Q	96.7	Very high	96.3	Very high	85 Å²	85	54.8 Å²	54.8	40%	0.397	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.6	-176.6	-176.5	175.1	2.9	0	0	113	L250 V257 V261 L270	L250-Q255 VanDerWaalsContact O-CB 3.26Å; L250-Q255 WeakPolarHBondContact O-CB 3.47Å; L250-Q255 PolarHBondContact O-N 2.92Å; Q255-V257 VanDerWaalsContact C-N 3.28Å; Q255-V257 PolarHBondContact O-N 3.36Å; Q255-V261 WeakPolarHBondContact O-CG2 3.41Å; Q255-L270 HydrophobicContact CB-CD2 3.92Å; Q255-L270 HydrophobicContact CG-CD2 3.95Å
256	T	96.7	Very high	96.4	Very high	91 Å²	91	54.8 Å²	54.8	56%	0.558	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.1	-178	58.5	0	0	0	0	113.5	D252 S253 V254	D252-T256 WeakPolarHBondContact O-CG2 3.39Å; D252-T256 PolarHBondContact O-OG1 3.18Å; S253-T256 PolarHBondContact O-OG1 3.02Å; V254-T256 PolarHBondContact O-N 3.38Å
257	V	97.3	Very high	96.5	Very high	23 Å²	23	57.5 Å²	57.5	14%	0.139	32%	0.315	C	S	.	.	S	Bend	trans	-85.4	124.2	-180	-179.8	0	0	0	0	110.8	F216 I220 V254 Q255 I259 M260	F216-V257 HydrophobicContact CE1-CG2 4.19Å; F216-V257 HydrophobicContact CZ-CB 4.35Å; F216-V257 HydrophobicContact CZ-CG2 3.92Å; I220-V257 HydrophobicContact CD1-CG1 4.01Å; I220-V257 HydrophobicContact CG2-CG1 4.33Å; V254-V257 PolarHBondContact O-N 3.39Å; Q255-V257 VanDerWaalsContact C-N 3.28Å; Q255-V257 PolarHBondContact O-N 3.36Å; V257-I259 HydrophobicContact CG1-CB 4.19Å; V257-I259 PolarHBondContact O-N 3.19Å; V257-I259 VanDerWaalsContact O-N 3.1Å; V257-M260 HydrophobicContact CB-CG 4.26Å; V257-M260 WeakPolarHBondContact O-CB 3.3Å; V257-M260 PolarHBondContact O-N 3.1Å
258	D	95.9	Very high	96.7	Very high	104 Å²	104	59.6 Å²	59.6	56%	0.556	32%	0.318	S	S	*	.	H	α-helix	trans	-51.9	-39.3	-176.5	-62.5	-26.8	0	0	0	113.7	M260 V261 E262	D258-M260 PolarHBondContact O-N 3.25Å; D258-V261 PolarHBondContact O-N 3.44Å; D258-E262 WeakPolarHBondContact O-CB 3.22Å; D258-E262 WeakPolarHBondContact O-CG 3.32Å; D258-E262 PolarHBondContact O-N 2.93Å
259	I	96.1	Very high	96.8	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-56.5	-37.6	177.9	-64.6	174.4	0	0	0	111.4	I220 L223 R230 A233 L237 V257 V261 D263	I220-I259 HydrophobicContact CD1-CD1 4.45Å; L223-I259 HydrophobicContact CB-CD1 4.27Å; R230-I259 HydrophobicContact CG-CG1 4.44Å; A233-I259 HydrophobicContact CB-CG2 3.42Å; A233-I259 VanDerWaalsContact CB-CG2 3.42Å; L237-I259 HydrophobicContact CD1-CG2 4.11Å; V257-I259 HydrophobicContact CG1-CB 4.19Å; V257-I259 PolarHBondContact O-N 3.19Å; V257-I259 VanDerWaalsContact O-N 3.1Å; I259-V261 VanDerWaalsContact C-N 3.29Å; I259-V261 PolarHBondContact O-N 3.5Å; I259-D263 WeakPolarHBondContact O-CB 3.42Å; I259-D263 PolarHBondContact O-N 3.2Å
260	M	96.9	Very high	96.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-72.8	-23.3	-179.2	-65.4	-57.9	-61.8	0	0	112.9	F216 L237 F242 V254 V257 D258 C266 R267 L270	F216-M260 HydrophobicContact CE2-CG 4.06Å; F216-M260 HydrophobicContact CE2-SD 3.97Å; F216-M260 HydrophobicContact CZ-CG 4.11Å; L237-M260 HydrophobicContact CD1-SD 3.74Å; F242-M260 HydrophobicContact CE1-CE 3.98Å; F242-M260 HydrophobicContact CE2-CE 4.29Å; F242-M260 HydrophobicContact CZ-CE 3.79Å; F242-M260 HydrophobicContact CZ-SD 4.2Å; V254-M260 HydrophobicContact CG1-CE 3.75Å; V254-M260 HydrophobicContact CG1-CG 3.99Å; V254-M260 HydrophobicContact CG1-SD 4.34Å; V254-M260 WeakPolarHBondContact O-CG 3.19Å; V257-M260 HydrophobicContact CB-CG 4.26Å; V257-M260 WeakPolarHBondContact O-CB 3.3Å; V257-M260 PolarHBondContact O-N 3.1Å; D258-M260 PolarHBondContact O-N 3.25Å; M260-C266 HydrophobicContact CE-CB 4.1Å; M260-C266 WeakPolarHBondContact CE-O 3.45Å; M260-C266 HydrophobicContact SD-CB 3.85Å; M260-R267 WeakPolarHBondContact O-CA 3.42Å; M260-R267 PolarHBondContact O-N 2.85Å; M260-L270 HydrophobicContact CE-CB 4.28Å
261	V	93.3	Very high	96.7	Very high	79 Å²	79	61.1 Å²	61.1	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-94.3	-41.5	-177.6	-178	0	0	0	0	111.5	Q255 D258 I259	Q255-V261 WeakPolarHBondContact O-CG2 3.41Å; D258-V261 PolarHBondContact O-N 3.44Å; I259-V261 VanDerWaalsContact C-N 3.29Å; I259-V261 PolarHBondContact O-N 3.5Å
262	E	93.9	Very high	96.7	Very high	122 Å²	122	60.2 Å²	60.2	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-79.9	-40.8	-174.6	-68.2	178.4	-172.4	0	0	113.1	R230 D258	R230-E262 IonicContact CZ-OE2 2.68Å; R230-E262 IonicContact NE-OE2 3.5Å; R230-E262 VanDerWaalsContact NH2-CD 3.26Å; R230-E262 IonicContact NH2-OE1 2.63Å; R230-E262 IonicContact NH2-OE2 2.72Å; R230-E262 PolarHBondContact NH2-OE2 3.38Å; D258-E262 WeakPolarHBondContact O-CB 3.22Å; D258-E262 WeakPolarHBondContact O-CG 3.32Å; D258-E262 PolarHBondContact O-N 2.93Å
263	D	96.8	Very high	96.7	Very high	42 Å²	42	55 Å²	55	23%	0.225	28%	0.283	C	S	.	.	S	Bend	trans	-75.6	129.6	179.2	-177.9	-79.2	0	0	0	111	I259 L265 C266 R267	I259-D263 WeakPolarHBondContact O-CB 3.42Å; I259-D263 PolarHBondContact O-N 3.2Å; D263-L265 VanDerWaalsContact C-N 3.35Å; D263-L265 PolarHBondContact O-N 3.27Å; D263-L265 WeakPolarHBondContact OD1-CA 3.43Å; D263-L265 WeakPolarHBondContact OD1-CB 3.35Å; D263-L265 PolarHBondContact OD1-N 3.47Å; D263-C266 HydrophobicContact CB-CB 3.94Å; D263-C266 PolarHBondContact OD1-N 3.44Å; D263-R267 WeakPolarHBondContact O-CB 3.26Å; D263-R267 PolarHBondContact O-N 3Å
264	V	96.8	Very high	96.7	Very high	80 Å²	80	55 Å²	55	49%	0.485	28%	0.278	S	S	.	.	H	α-helix	trans	-63.8	-40	-174.5	177.6	0	0	0	0	111.9	Q268	V264-Q268 WeakPolarHBondContact O-CG 3.38Å; V264-Q268 PolarHBondContact O-N 3.5Å
265	L	98	Very high	96.7	Very high	74 Å²	74	59 Å²	59	39%	0.387	30%	0.299	S	S	.	.	H	α-helix	trans	-77	-43	-178.3	-66.2	177.8	0	0	0	110.8	D263 R267 Q268 Y269	D263-L265 VanDerWaalsContact C-N 3.35Å; D263-L265 PolarHBondContact O-N 3.27Å; D263-L265 WeakPolarHBondContact OD1-CA 3.43Å; D263-L265 WeakPolarHBondContact OD1-CB 3.35Å; D263-L265 PolarHBondContact OD1-N 3.47Å; L265-R267 PolarHBondContact O-N 2.94Å; L265-Q268 WeakPolarHBondContact O-CA 3.48Å; L265-Q268 WeakPolarHBondContact O-CB 3.26Å; L265-Q268 PolarHBondContact O-N 3.44Å; L265-Y269 HydrophobicContact CB-CE1 4.18Å; L265-Y269 WeakPolarHBondContact O-CD1 3.37Å; L265-Y269 WeakPolarHBondContact O-CE1 3.28Å; L265-Y269 PolarHBondContact O-N 3.26Å
266	C	97.8	Very high	96.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-41.1	174.9	-64.8	0	0	0	0	111.7	M260 D263 Q268 Y269 L270	M260-C266 HydrophobicContact CE-CB 4.1Å; M260-C266 WeakPolarHBondContact CE-O 3.45Å; M260-C266 HydrophobicContact SD-CB 3.85Å; D263-C266 HydrophobicContact CB-CB 3.94Å; D263-C266 PolarHBondContact OD1-N 3.44Å; C266-Q268 VanDerWaalsContact C-N 3.33Å; C266-Q268 PolarHBondContact O-N 3.25Å; C266-Y269 WeakPolarHBondContact O-CB 3.46Å; C266-Y269 PolarHBondContact O-N 2.76Å; C266-Y269 VanDerWaalsContact O-N 3.13Å; C266-L270 PolarHBondContact O-N 3.09Å; C266-L270 VanDerWaalsContact O-N 3.08Å
267	R	97.3	Very high	96.6	Very high	124 Å²	124	52.8 Å²	52.8	47%	0.468	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-36.8	173.7	-176.6	175.4	55.6	177.8	-6.9	112.8	M260 D263 L265 Y269 L270 L271	M260-R267 WeakPolarHBondContact O-CA 3.42Å; M260-R267 PolarHBondContact O-N 2.85Å; D263-R267 WeakPolarHBondContact O-CB 3.26Å; D263-R267 PolarHBondContact O-N 3Å; L265-R267 PolarHBondContact O-N 2.94Å; R267-Y269 VanDerWaalsContact C-N 3.31Å; R267-L270 PolarHBondContact O-N 3.01Å; R267-L271 HydrophobicContact CG-CD1 4.48Å; R267-L271 WeakPolarHBondContact O-CG 3.39Å; R267-L271 PolarHBondContact O-N 3.33Å
268	Q	97.6	Very high	96.5	Very high	105 Å²	105	57.4 Å²	57.4	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-64.5	-36.7	173.5	-72.3	175	-1.2	0	0	111.8	V264 L265 C266 L270 L271 E272	V264-Q268 WeakPolarHBondContact O-CG 3.38Å; V264-Q268 PolarHBondContact O-N 3.5Å; L265-Q268 WeakPolarHBondContact O-CA 3.48Å; L265-Q268 WeakPolarHBondContact O-CB 3.26Å; L265-Q268 PolarHBondContact O-N 3.44Å; C266-Q268 VanDerWaalsContact C-N 3.33Å; C266-Q268 PolarHBondContact O-N 3.25Å; Q268-L270 VanDerWaalsContact C-N 3.33Å; Q268-L271 PolarHBondContact O-N 3.41Å; Q268-E272 PolarHBondContact O-N 3.03Å
269	Y	97.8	Very high	96.5	Very high	24 Å²	24	55.5 Å²	55.5	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-40.8	178.1	-51.8	-16	0	0	0	110.9	S234 C238 F242 L265 C266 R267 E272 A273 R290	S234-Y269 WeakPolarHBondContact O-CE2 3.41Å; S234-Y269 PolarHBondContact O-OH 2.88Å; S234-Y269 VanDerWaalsContact O-OH 3.1Å; C238-Y269 HydrophobicContact CB-CE2 3.78Å; C238-Y269 WeakPolarHBondContact CB-OH 3.36Å; F242-Y269 HydrophobicContact CE2-CD2 4.15Å; L265-Y269 HydrophobicContact CB-CE1 4.18Å; L265-Y269 WeakPolarHBondContact O-CD1 3.37Å; L265-Y269 WeakPolarHBondContact O-CE1 3.28Å; L265-Y269 PolarHBondContact O-N 3.26Å; C266-Y269 WeakPolarHBondContact O-CB 3.46Å; C266-Y269 PolarHBondContact O-N 2.76Å; C266-Y269 VanDerWaalsContact O-N 3.13Å; R267-Y269 VanDerWaalsContact C-N 3.31Å; Y269-E272 PolarHBondContact O-N 2.79Å; Y269-A273 PolarHBondContact O-N 2.8Å; Y269-R290 VanDerWaalsContact CD1-CZ 3.41Å
270	L	96.9	Very high	96.4	Very high	12 Å²	12	57 Å²	57	6%	0.063	29%	0.286	C	S	.	.	H	α-helix	trans	-66.4	-41	175.3	-173.3	62.6	0	0	0	112	L250 V254 Q255 M260 C266 R267 Q268 A273 F274	L250-L270 HydrophobicContact CB-CD1 4.41Å; L250-L270 HydrophobicContact CD2-CD1 4.08Å; V254-L270 HydrophobicContact CG1-CD1 4.07Å; Q255-L270 HydrophobicContact CB-CD2 3.92Å; Q255-L270 HydrophobicContact CG-CD2 3.95Å; M260-L270 HydrophobicContact CE-CB 4.28Å; C266-L270 PolarHBondContact O-N 3.09Å; C266-L270 VanDerWaalsContact O-N 3.08Å; R267-L270 PolarHBondContact O-N 3.01Å; Q268-L270 VanDerWaalsContact C-N 3.33Å; L270-A273 PolarHBondContact O-N 3.29Å; L270-F274 HydrophobicContact CD1-CD2 4.15Å; L270-F274 HydrophobicContact CD1-CE2 3.62Å; L270-F274 HydrophobicContact CD1-CZ 4.04Å; L270-F274 HydrophobicContact CD2-CE2 3.87Å; L270-F274 HydrophobicContact CG-CD2 3.84Å; L270-F274 HydrophobicContact CG-CE2 3.46Å; L270-F274 VanDerWaalsContact CG-CE2 3.46Å; L270-F274 HydrophobicContact CG-CZ 4.34Å; L270-F274 VanDerWaalsContact O-CD2 3.26Å; L270-F274 WeakPolarHBondContact O-CD2 3.31Å; L270-F274 PolarHBondContact O-N 3.04Å
271	L	96.6	Very high	96.4	Very high	96 Å²	96	59.8 Å²	59.8	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-41.1	174.9	-73.6	172.1	0	0	0	112.5	R267 Q268 A273 N275	R267-L271 HydrophobicContact CG-CD1 4.48Å; R267-L271 WeakPolarHBondContact O-CG 3.39Å; R267-L271 PolarHBondContact O-N 3.33Å; Q268-L271 PolarHBondContact O-N 3.41Å; L271-A273 VanDerWaalsContact C-N 3.34Å; L271-N275 WeakPolarHBondContact O-CB 3.45Å; L271-N275 VanDerWaalsContact O-CG 3.26Å; L271-N275 PolarHBondContact O-N 3.46Å; L271-N275 PolarHBondContact O-ND2 3.29Å
272	E	97.3	Very high	96.5	Very high	46 Å²	46	61.2 Å²	61.2	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-57.4	-49.2	171.9	-179.1	-170.2	-167.6	0	0	110.4	P243 Q268 Y269 F274 N275 Y276 S288 R290	P243-E272 HydrophobicContact CG-CG 4.21Å; Q268-E272 PolarHBondContact O-N 3.03Å; Y269-E272 PolarHBondContact O-N 2.79Å; E272-F274 PolarHBondContact O-N 2.91Å; E272-N275 PolarHBondContact O-N 2.91Å; E272-Y276 WeakPolarHBondContact O-CB 3.38Å; E272-Y276 PolarHBondContact O-N 2.86Å; E272-S288 PolarHBondContact OE1-OG 2.99Å; E272-R290 IonicContact OE2-CZ 3.86Å; E272-R290 IonicContact OE2-NE 3.97Å; E272-R290 PolarHBondContact OE2-NE 3.05Å; E272-R290 IonicContact OE2-NH2 3Å; E272-R290 PolarHBondContact OE2-NH2 3.02Å
273	A	97.6	Very high	96.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-46	-179.4	0	0	0	0	0	112.6	F242 P243 L250 Y269 L270 L271 N275 Y276 Q277	F242-A273 HydrophobicContact CB-CB 3.63Å; P243-A273 HydrophobicContact CG-CB 4.42Å; L250-A273 HydrophobicContact CD1-CB 3.82Å; L250-A273 HydrophobicContact CD2-CB 4.03Å; Y269-A273 PolarHBondContact O-N 2.8Å; L270-A273 PolarHBondContact O-N 3.29Å; L271-A273 VanDerWaalsContact C-N 3.34Å; A273-N275 PolarHBondContact O-N 3.49Å; A273-Y276 PolarHBondContact O-N 3.35Å; A273-Q277 WeakPolarHBondContact O-CG 3.43Å; A273-Q277 PolarHBondContact O-N 3.11Å
274	F	96.8	Very high	96.4	Very high	41 Å²	41	55.3 Å²	55.3	18%	0.18	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-44.2	175.8	-77.1	-52.6	0	0	0	112.4	L250 V251 L270 E272 Y276 Q277 I278	L250-F274 HydrophobicContact CB-CE1 3.9Å; L250-F274 HydrophobicContact CB-CZ 4.16Å; L250-F274 HydrophobicContact CD1-CD1 4.39Å; L250-F274 HydrophobicContact CD1-CE1 4.43Å; V251-F274 HydrophobicContact CG2-CE1 3.73Å; V251-F274 HydrophobicContact CG2-CZ 3.92Å; L270-F274 HydrophobicContact CD1-CD2 4.15Å; L270-F274 HydrophobicContact CD1-CE2 3.62Å; L270-F274 HydrophobicContact CD1-CZ 4.04Å; L270-F274 HydrophobicContact CD2-CE2 3.87Å; L270-F274 HydrophobicContact CG-CD2 3.84Å; L270-F274 HydrophobicContact CG-CE2 3.46Å; L270-F274 VanDerWaalsContact CG-CE2 3.46Å; L270-F274 HydrophobicContact CG-CZ 4.34Å; L270-F274 VanDerWaalsContact O-CD2 3.26Å; L270-F274 WeakPolarHBondContact O-CD2 3.31Å; L270-F274 PolarHBondContact O-N 3.04Å; E272-F274 PolarHBondContact O-N 2.91Å; F274-Y276 VanDerWaalsContact C-N 3.29Å; F274-Y276 PolarHBondContact O-N 2.96Å; F274-Q277 PolarHBondContact O-N 3.27Å; F274-I278 HydrophobicContact CB-CD1 4.39Å; F274-I278 WeakPolarHBondContact O-CB 3.15Å; F274-I278 VanDerWaalsContact O-CG1 3.23Å; F274-I278 WeakPolarHBondContact O-CG1 3.49Å; F274-I278 PolarHBondContact O-N 3.32Å
275	N	96.9	Very high	96.3	Very high	84 Å²	84	56.2 Å²	56.2	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-60.7	-41.2	176	-73.9	-28.8	0	0	0	111.5	L271 E272 A273 Q277 L279 M286	L271-N275 WeakPolarHBondContact O-CB 3.45Å; L271-N275 VanDerWaalsContact O-CG 3.26Å; L271-N275 PolarHBondContact O-N 3.46Å; L271-N275 PolarHBondContact O-ND2 3.29Å; E272-N275 PolarHBondContact O-N 2.91Å; A273-N275 PolarHBondContact O-N 3.49Å; N275-Q277 PolarHBondContact O-N 3.02Å; N275-L279 WeakPolarHBondContact O-CB 3.48Å; N275-L279 PolarHBondContact O-N 3.31Å; N275-L279 VanDerWaalsContact O-N 3.16Å; N275-M286 HydrophobicContact CB-SD 4.46Å
276	Y	96.8	Very high	96.2	Very high	8 Å²	8	55 Å²	55	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-40.1	178.4	-166.4	-94.9	0	0	0	112.9	P243 E272 A273 F274 Q283 M286 T291	P243-Y276 HydrophobicContact CB-CD1 3.8Å; P243-Y276 HydrophobicContact CB-CD2 4.4Å; P243-Y276 HydrophobicContact CB-CE1 4.4Å; P243-Y276 HydrophobicContact CB-CG 3.79Å; P243-Y276 WeakPolarHBondContact O-CD1 3.43Å; E272-Y276 WeakPolarHBondContact O-CB 3.38Å; E272-Y276 PolarHBondContact O-N 2.86Å; A273-Y276 PolarHBondContact O-N 3.35Å; F274-Y276 VanDerWaalsContact C-N 3.29Å; F274-Y276 PolarHBondContact O-N 2.96Å; Y276-Q283 HydrophobicContact CD1-CG 4.14Å; Y276-Q283 HydrophobicContact CD2-CB 4.37Å; Y276-Q283 HydrophobicContact CD2-CG 3.97Å; Y276-Q283 HydrophobicContact CE1-CG 3.89Å; Y276-Q283 VanDerWaalsContact CE1-NE2 3.28Å; Y276-Q283 HydrophobicContact CE2-CB 3.7Å; Y276-Q283 HydrophobicContact CE2-CG 3.69Å; Y276-Q283 HydrophobicContact CG-CG 4.18Å; Y276-Q283 WeakPolarHBondContact O-CG 3.27Å; Y276-Q283 PolarHBondContact O-NE2 3.49Å; Y276-M286 HydrophobicContact CD2-CB 3.98Å; Y276-M286 HydrophobicContact CD2-CE 4.1Å; Y276-M286 HydrophobicContact CE2-CB 4.39Å; Y276-T291 HydrophobicContact CD2-CG2 3.66Å; Y276-T291 HydrophobicContact CE2-CG2 3.46Å; Y276-T291 VanDerWaalsContact CE2-CG2 3.46Å; Y276-T291 HydrophobicContact CG-CG2 4.4Å
277	Q	94.6	Very high	96.1	Very high	38 Å²	38	57.8 Å²	57.8	18%	0.178	27%	0.271	C	S	.	.	H	α-helix	trans	-76	-40.5	179.8	-69.3	-67.3	-43.8	0	0	112.8	P243 M245 L250 A273 F274 N275 L279	P243-Q277 PolarHBondContact O-NE2 3.32Å; M245-Q277 PolarHBondContact O-NE2 3.2Å; L250-Q277 HydrophobicContact CD1-CG 4.11Å; A273-Q277 WeakPolarHBondContact O-CG 3.43Å; A273-Q277 PolarHBondContact O-N 3.11Å; F274-Q277 PolarHBondContact O-N 3.27Å; N275-Q277 PolarHBondContact O-N 3.02Å; Q277-L279 VanDerWaalsContact C-N 3.34Å; Q277-L279 PolarHBondContact O-N 2.72Å
278	I	95	Very high	96	Very high	120 Å²	120	53.7 Å²	53.7	62%	0.615	26%	0.261	S	S	*	.	H	α-helix	trans	-74.4	-24.9	-177	-67.3	167.9	0	0	0	112.1	F274 P280	F274-I278 HydrophobicContact CB-CD1 4.39Å; F274-I278 WeakPolarHBondContact O-CB 3.15Å; F274-I278 VanDerWaalsContact O-CG1 3.23Å; F274-I278 WeakPolarHBondContact O-CG1 3.49Å; F274-I278 PolarHBondContact O-N 3.32Å; I278-P280 WeakPolarHBondContact O-CD 3.21Å
279	L	95.7	Very high	95.8	Very high	65 Å²	65	53.3 Å²	53.3	34%	0.34	27%	0.27	S	S	.	.			trans	-116.3	64.3	-174.4	-58.8	169.6	0	0	0	112.1	N275 Q277 F281 R282 Q283 M286	N275-L279 WeakPolarHBondContact O-CB 3.48Å; N275-L279 PolarHBondContact O-N 3.31Å; N275-L279 VanDerWaalsContact O-N 3.16Å; Q277-L279 VanDerWaalsContact C-N 3.34Å; Q277-L279 PolarHBondContact O-N 2.72Å; L279-F281 VanDerWaalsContact C-N 3.25Å; L279-F281 PolarHBondContact O-N 2.72Å; L279-F281 VanDerWaalsContact O-N 3.16Å; L279-R282 HydrophobicContact CB-CB 4.12Å; L279-R282 HydrophobicContact CB-CG 4.46Å; L279-R282 PolarHBondContact O-N 3.32Å; L279-Q283 PolarHBondContact O-N 3.22Å; L279-M286 HydrophobicContact CB-CE 4Å
280	P	94.4	Very high	95.7	Very high	35 Å²	35	53.9 Å²	53.9	23%	0.227	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-56.4	-39.2	-174.2	21.5	-33.1	0	0	0	112.7	I278 R282 Q283 R374 L383	I278-P280 WeakPolarHBondContact O-CD 3.21Å; P280-R282 PolarHBondContact O-N 2.86Å; P280-Q283 WeakPolarHBondContact O-CB 3.48Å; P280-Q283 WeakPolarHBondContact O-CG 3.14Å; P280-Q283 PolarHBondContact O-N 3.19Å; P280-Q283 PolarHBondContact O-OE1 3.06Å; P280-R374 PolarHBondContact O-NH1 3.15Å; P280-R374 PolarHBondContact O-NH2 3.08Å; P280-L383 HydrophobicContact CB-CD2 4.09Å
281	F	96.6	Very high	95.7	Very high	60 Å²	60	53.6 Å²	53.6	26%	0.263	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-68	-17.5	179.1	-62.1	-59	0	0	0	114.4	L279 H284 L383 I385 P424 K425 N427	L279-F281 VanDerWaalsContact C-N 3.25Å; L279-F281 PolarHBondContact O-N 2.72Å; L279-F281 VanDerWaalsContact O-N 3.16Å; F281-H284 PolarHBondContact O-CE1 3.15Å; F281-H284 VanDerWaalsContact O-CE1 3.24Å; F281-H284 PolarHBondContact O-ND1 2.68Å; F281-H284 VanDerWaalsContact O-ND1 3.12Å; F281-L383 HydrophobicContact CD1-CD2 4.45Å; F281-L383 HydrophobicContact CE1-CD2 3.9Å; F281-L383 HydrophobicContact CZ-CD2 4.3Å; F281-I385 HydrophobicContact CE1-CG2 4.2Å; F281-P424 WeakPolarHBondContact CB-O 3.46Å; F281-P424 CarbonylContact O-C 3.57Å; F281-P424 VanDerWaalsContact O-O 3.12Å; F281-K425 WeakPolarHBondContact O-CA 3.18Å; F281-K425 PolarHBondContact O-N 3.06Å; F281-N427 HydrophobicContact CD1-CB 3.81Å; F281-N427 HydrophobicContact CD2-CB 4.45Å; F281-N427 HydrophobicContact CE1-CB 3.93Å; F281-N427 HydrophobicContact CG-CB 4.09Å; F281-N427 HydrophobicContact CZ-CB 4.31Å
282	R	95.8	Very high	95.6	Very high	110 Å²	110	53.5 Å²	53.5	42%	0.415	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-104.2	1.5	178.9	-60.3	-165	176.5	178.4	-0.2	113.9	L279 P280 H284 E285 M286 K425	L279-R282 HydrophobicContact CB-CB 4.12Å; L279-R282 HydrophobicContact CB-CG 4.46Å; L279-R282 PolarHBondContact O-N 3.32Å; P280-R282 PolarHBondContact O-N 2.86Å; R282-H284 PolarHBondContact O-N 3.13Å; R282-H284 VanDerWaalsContact O-N 3.14Å; R282-E285 PolarHBondContact O-N 3.2Å; R282-M286 HydrophobicContact CB-CE 4.06Å; R282-M286 PolarHBondContact O-N 3.17Å; R282-K425 HydrophobicContact CG-CG 4.05Å
283	Q	96.1	Very high	95.4	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.037	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-55.1	-35.3	-177.7	-74.1	172.3	-35.9	0	0	112.8	Y276 L279 P280 E285 M286 Q287 F351	Y276-Q283 HydrophobicContact CD1-CG 4.14Å; Y276-Q283 HydrophobicContact CD2-CB 4.37Å; Y276-Q283 HydrophobicContact CD2-CG 3.97Å; Y276-Q283 HydrophobicContact CE1-CG 3.89Å; Y276-Q283 VanDerWaalsContact CE1-NE2 3.28Å; Y276-Q283 HydrophobicContact CE2-CB 3.7Å; Y276-Q283 HydrophobicContact CE2-CG 3.69Å; Y276-Q283 HydrophobicContact CG-CG 4.18Å; Y276-Q283 WeakPolarHBondContact O-CG 3.27Å; Y276-Q283 PolarHBondContact O-NE2 3.49Å; L279-Q283 PolarHBondContact O-N 3.22Å; P280-Q283 WeakPolarHBondContact O-CB 3.48Å; P280-Q283 WeakPolarHBondContact O-CG 3.14Å; P280-Q283 PolarHBondContact O-N 3.19Å; P280-Q283 PolarHBondContact O-OE1 3.06Å; Q283-E285 VanDerWaalsContact C-N 3.26Å; Q283-E285 PolarHBondContact O-N 2.87Å; Q283-M286 HydrophobicContact CG-CE 4.13Å; Q283-M286 PolarHBondContact O-N 3.15Å; Q283-Q287 PolarHBondContact O-NE2 3.19Å; Q283-F351 HydrophobicContact CB-CE2 3.96Å; Q283-F351 HydrophobicContact CB-CZ 4.1Å; Q283-F351 VanDerWaalsContact OE1-CZ 3.32Å
284	H	92.9	Very high	95.3	Very high	31 Å²	31	52.9 Å²	52.9	14%	0.144	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-59.1	-31.5	174.1	71.5	-75.2	0	0	0	114	F281 R282 M286 L348 D349 K425	F281-H284 PolarHBondContact O-CE1 3.15Å; F281-H284 VanDerWaalsContact O-CE1 3.24Å; F281-H284 PolarHBondContact O-ND1 2.68Å; F281-H284 VanDerWaalsContact O-ND1 3.12Å; R282-H284 PolarHBondContact O-N 3.13Å; R282-H284 VanDerWaalsContact O-N 3.14Å; H284-M286 VanDerWaalsContact C-N 3.32Å; H284-L348 HydrophobicContact CB-CD2 4.14Å; H284-L348 HydrophobicContact CB-CG 4.41Å; H284-D349 WeakPolarHBondContact CA-OD2 3.29Å; H284-D349 WeakPolarHBondContact CB-OD2 3.4Å; H284-K425 PolarHBondContact CE1-N 3.35Å
285	E	94.4	Very high	95.1	Very high	99 Å²	99	51 Å²	51	46%	0.463	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-84.4	-8.7	176.4	-54.5	-175.4	139.9	0	0	112.7	R282 Q283 K425	R282-E285 PolarHBondContact O-N 3.2Å; Q283-E285 VanDerWaalsContact C-N 3.26Å; Q283-E285 PolarHBondContact O-N 2.87Å; E285-K425 WeakPolarHBondContact OE1-CD 3.35Å; E285-K425 IonicContact OE1-NZ 3.54Å; E285-K425 PolarHBondContact OE1-NZ 2.82Å; E285-K425 WeakPolarHBondContact OE2-CE 3.43Å; E285-K425 IonicContact OE2-NZ 3.49Å; E285-K425 PolarHBondContact OE2-NZ 2.93Å
286	M	95.3	Very high	94.7	Very high	50 Å²	50	52 Å²	52	25%	0.246	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-110.8	19.9	-173.2	-61.9	-173.8	-67.4	0	0	112.3	N275 Y276 L279 R282 Q283 H284 S288 T291	N275-M286 HydrophobicContact CB-SD 4.46Å; Y276-M286 HydrophobicContact CD2-CB 3.98Å; Y276-M286 HydrophobicContact CD2-CE 4.1Å; Y276-M286 HydrophobicContact CE2-CB 4.39Å; L279-M286 HydrophobicContact CB-CE 4Å; R282-M286 HydrophobicContact CB-CE 4.06Å; R282-M286 PolarHBondContact O-N 3.17Å; Q283-M286 HydrophobicContact CG-CE 4.13Å; Q283-M286 PolarHBondContact O-N 3.15Å; H284-M286 VanDerWaalsContact C-N 3.32Å; M286-S288 PolarHBondContact O-N 3.1Å; M286-T291 WeakPolarHBondContact O-CG2 3.2Å
287	Q	94.9	Very high	94.3	Very high	58 Å²	58	54.1 Å²	54.1	27%	0.271	28%	0.278	S	S	.	.			trans	-66.2	132	-178.6	-64.2	-57.5	-46.3	0	0	111.8	Q283 T291 D349	Q283-Q287 PolarHBondContact O-NE2 3.19Å; Q287-T291 WeakPolarHBondContact CA-OG1 3.39Å; Q287-T291 PolarHBondContact OE1-OG1 2.87Å; Q287-D349 HydrophobicContact CG-CB 3.91Å
288	S	94.9	Very high	94.1	Very high	37 Å²	37	55.3 Å²	55.3	26%	0.259	29%	0.285	S	S	.	.			trans	-145.3	172.6	175.5	81.3	0	0	0	0	109.6	E272 M286 R290 T291	E272-S288 PolarHBondContact OE1-OG 2.99Å; M286-S288 PolarHBondContact O-N 3.1Å; S288-R290 PolarHBondContact O-N 3.43Å; S288-R290 PolarHBondContact OG-N 3.11Å; S288-T291 PolarHBondContact N-OG1 2.84Å; S288-T291 PolarHBondContact O-N 3.17Å; S288-T291 PolarHBondContact O-OG1 2.81Å
289	S	94.1	Very high	94	Very high	97 Å²	97	49.7 Å²	49.7	68%	0.678	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.7	173	55.2	0	0	0	0	113.1
290	R	96	Very high	93.9	Very high	37 Å²	37	46.6 Å²	46.6	14%	0.14	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-4.7	178.4	-62.1	-167	-69.8	-146.2	-4.4	114.7	C238 R241 P243 Y269 E272 S288	C238-R290 WeakPolarHBondContact O-CD 3.37Å; R241-R290 VanDerWaalsContact CB-O 3.31Å; R241-R290 WeakPolarHBondContact CB-O 3.43Å; P243-R290 HydrophobicContact CG-CB 4.32Å; Y269-R290 VanDerWaalsContact CD1-CZ 3.41Å; E272-R290 IonicContact OE2-CZ 3.86Å; E272-R290 IonicContact OE2-NE 3.97Å; E272-R290 PolarHBondContact OE2-NE 3.05Å; E272-R290 IonicContact OE2-NH2 3Å; E272-R290 PolarHBondContact OE2-NH2 3.02Å; S288-R290 PolarHBondContact O-N 3.43Å; S288-R290 PolarHBondContact OG-N 3.11Å
291	T	95.8	Very high	93.9	Very high	6 Å²	6	45 Å²	45	4%	0.037	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-4.3	173.8	63.7	0	0	0	0	112.5	P243 Y276 M286 Q287 S288	P243-T291 HydrophobicContact CB-CG2 3.93Å; P243-T291 HydrophobicContact CG-CG2 4.11Å; Y276-T291 HydrophobicContact CD2-CG2 3.66Å; Y276-T291 HydrophobicContact CE2-CG2 3.46Å; Y276-T291 VanDerWaalsContact CE2-CG2 3.46Å; Y276-T291 HydrophobicContact CG-CG2 4.4Å; M286-T291 WeakPolarHBondContact O-CG2 3.2Å; Q287-T291 WeakPolarHBondContact CA-OG1 3.39Å; Q287-T291 PolarHBondContact OE1-OG1 2.87Å; S288-T291 PolarHBondContact N-OG1 2.84Å; S288-T291 PolarHBondContact O-N 3.17Å; S288-T291 PolarHBondContact O-OG1 2.81Å
292	L	94.9	Very high	93.8	Very high	94 Å²	94	42.1 Å²	42.1	49%	0.492	22%	0.217	S	C	.	.	S	Bend	trans	-83.5	139	177.9	-61	177.9	0	0	0	111.1	R241 L244	R241-L292 WeakPolarHBondContact CD-O 3.33Å; R241-L292 PolarHBondContact NH1-O 2.92Å; L244-L292 WeakPolarHBondContact CD1-O 3.45Å
293	I	94.6	Very high	93.8	Very high	16 Å²	16	36.9 Å²	36.9	8%	0.082	20%	0.198	C	C	.	.			trans	-60	140.2	174.9	-64.6	-178	0	0	0	110.3	R241 S295 N350 P377 H378 I596 P598	R241-I293 PolarHBondContact NH1-O 3.1Å; I293-S295 PolarHBondContact O-N 2.97Å; I293-N350 WeakPolarHBondContact CD1-ND2 3.36Å; I293-P377 HydrophobicContact CD1-CB 4.27Å; I293-P377 HydrophobicContact CD1-CG 3.9Å; I293-H378 HydrophobicContact CD1-CB 3.71Å; I293-H378 HydrophobicContact CG1-CB 3.9Å; I293-I596 HydrophobicContact CB-CG2 4.28Å; I293-I596 HydrophobicContact CG2-CG2 4.33Å; I293-P598 HydrophobicContact CD1-CG 4.3Å; I293-P598 HydrophobicContact CG2-CB 4.25Å; I293-P598 HydrophobicContact CG2-CG 4.04Å
294	R	93.9	Very high	93.6	Very high	17 Å²	17	36.6 Å²	36.6	6%	0.064	20%	0.197	C	C	.	.	S	Bend	trans	-75.5	71.6	177	-169.5	179	-63	-83.1	6.8	111.8	L202 S204 E212 L215 H239 R241	L202-R294 VanDerWaalsContact O-CZ 3.28Å; L202-R294 PolarHBondContact O-NH1 3.48Å; L202-R294 PolarHBondContact O-NH2 3.22Å; S204-R294 WeakPolarHBondContact O-CD 3.28Å; S204-R294 WeakPolarHBondContact O-CG 3.43Å; S204-R294 PolarHBondContact O-NH1 2.82Å; E212-R294 IonicContact OE1-CZ 2.8Å; E212-R294 IonicContact OE1-NE 3.49Å; E212-R294 PolarHBondContact OE1-NE 3.32Å; E212-R294 IonicContact OE1-NH2 2.81Å; E212-R294 PolarHBondContact OE1-NH2 2.96Å; E212-R294 IonicContact OE2-CZ 2.59Å; E212-R294 IonicContact OE2-NE 3.63Å; E212-R294 IonicContact OE2-NH2 3.43Å; E212-R294 PolarHBondContact OE2-NH2 2.74Å; L215-R294 VanDerWaalsContact CD1-NE 3.35Å; H239-R294 PolarHBondContact O-NH2 2.83Å; R241-R294 VanDerWaalsContact NH1-N 3.13Å
295	S	92.6	Very high	93.6	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	19%	0.19	C	C	.	.			trans	-164.2	143.7	179.5	-171.4	0	0	0	0	110.7	I293 V297 I596 L597 Q599	I293-S295 PolarHBondContact O-N 2.97Å; S295-V297 WeakPolarHBondContact OG-CB 3.27Å; S295-V297 PolarHBondContact OG-N 2.89Å; S295-V297 VanDerWaalsContact OG-N 3.1Å; S295-I596 WeakPolarHBondContact O-CG2 3.47Å; S295-L597 WeakPolarHBondContact CB-O 3.03Å; S295-L597 PolarHBondContact OG-O 2.8Å; S295-Q599 VanDerWaalsContact OG-CG 3.28Å; S295-Q599 WeakPolarHBondContact OG-CG 3.49Å; S295-Q599 PolarHBondContact OG-NE2 3.1Å
296	D	89.9	Confident	93.4	Very high	104 Å²	104	30.4 Å²	30.4	56%	0.556	17%	0.168	S	C	*	.			trans	-101.5	6.3	167.3	-56.7	-45.3	0	0	0	111.7	N205 L298	N205-D296 VanDerWaalsContact CB-CG 3.46Å; N205-D296 WeakPolarHBondContact CB-OD1 3.27Å; N205-D296 WeakPolarHBondContact CB-OD2 3.49Å; N205-D296 PolarHBondContact ND2-OD1 2.69Å; D296-L298 PolarHBondContact O-N 3.26Å
297	V	87.4	Confident	92.8	Very high	52 Å²	52	29.9 Å²	29.9	32%	0.315	17%	0.168	S	C	.	.			trans	-85.5	99	-175.1	-175.7	0	0	0	0	109.1	S295 P323 I596 L597	S295-V297 WeakPolarHBondContact OG-CB 3.27Å; S295-V297 PolarHBondContact OG-N 2.89Å; S295-V297 VanDerWaalsContact OG-N 3.1Å; V297-P323 WeakPolarHBondContact CG1-O 3.38Å; V297-I596 WeakPolarHBondContact O-CA 3.36Å; V297-L597 PolarHBondContact O-N 2.92Å
298	L	90.9	Very high	91.7	Very high	64 Å²	64	30.2 Å²	30.2	34%	0.335	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.1	169.7	-169.2	66.2	0	0	0	108.8	D296 L546 P594 I596	D296-L298 PolarHBondContact O-N 3.26Å; L298-L546 HydrophobicContact CB-CD1 4.22Å; L298-L546 HydrophobicContact CD2-CD1 3.65Å; L298-L546 HydrophobicContact CG-CD1 3.63Å; L298-P594 HydrophobicContact CD1-CB 4.04Å; L298-P594 HydrophobicContact CD2-CB 4.33Å; L298-P594 HydrophobicContact CG-CB 4.12Å; L298-I596 HydrophobicContact CD1-CG1 3.98Å
299	S	91.9	Very high	90.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.6	-179.3	-63	0	0	0	0	110.5	L322 P323 P594 I595	S299-L322 WeakPolarHBondContact CA-O 3.48Å; S299-L322 WeakPolarHBondContact CB-O 3.28Å; S299-P323 PolarHBondContact OG-O 3.26Å; S299-P323 VanDerWaalsContact OG-O 3.07Å; S299-P594 CarbonylContact O-C 3.56Å; S299-P594 WeakPolarHBondContact O-CA 3.25Å; S299-I595 PolarHBondContact N-O 3.43Å; S299-I595 PolarHBondContact O-N 2.95Å; S299-I595 VanDerWaalsContact O-O 3.1Å
300	L	94.5	Very high	88.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.5	169.7	-173.7	158.3	0	0	0	108.6	T302 Y321 L322 F330 C544 L546 Y551 I553	L300-T302 HydrophobicContact CD2-CG2 3.74Å; L300-Y321 CarbonylContact O-C 3.52Å; L300-Y321 WeakPolarHBondContact O-CA 3.15Å; L300-L322 HydrophobicContact CB-CB 4.15Å; L300-L322 PolarHBondContact N-O 3Å; L300-L322 PolarHBondContact O-N 2.89Å; L300-F330 HydrophobicContact CD2-CE1 3.79Å; L300-F330 HydrophobicContact CD2-CZ 4.14Å; L300-C544 WeakPolarHBondContact CD1-SG 3.12Å; L300-C544 VanDerWaalsContact CG-SG 3.52Å; L300-L546 HydrophobicContact CB-CD2 4.25Å; L300-Y551 HydrophobicContact CD1-CD1 3.75Å; L300-Y551 HydrophobicContact CD1-CD2 4.2Å; L300-Y551 HydrophobicContact CD1-CE1 4.47Å; L300-Y551 HydrophobicContact CD1-CG 3.6Å; L300-I553 HydrophobicContact CD1-CD1 3.94Å; L300-I553 HydrophobicContact CD2-CD1 3.37Å; L300-I553 HydrophobicContact CG-CD1 4.24Å
301	I	94.4	Very high	87	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.3	175.7	-52.2	-168.9	0	0	0	110.3	F303 Y320 L333 S592 T593 I595 L597	I301-F303 HydrophobicContact CB-CE2 4.09Å; I301-F303 HydrophobicContact CB-CZ 4.18Å; I301-F303 HydrophobicContact CG2-CD1 4.49Å; I301-F303 HydrophobicContact CG2-CD2 4.29Å; I301-F303 HydrophobicContact CG2-CE1 3.87Å; I301-F303 HydrophobicContact CG2-CE2 3.61Å; I301-F303 HydrophobicContact CG2-CZ 3.38Å; I301-Y320 CarbonylContact C-O 3.59Å; I301-Y320 VanDerWaalsContact CA-O 3.29Å; I301-Y320 WeakPolarHBondContact CA-O 3.43Å; I301-Y320 WeakPolarHBondContact CG2-O 3.49Å; I301-L333 HydrophobicContact CD1-CD2 3.76Å; I301-L333 HydrophobicContact CG2-CD2 4.36Å; I301-S592 CarbonylContact O-C 3.59Å; I301-S592 WeakPolarHBondContact O-CA 3.33Å; I301-T593 PolarHBondContact N-O 3.44Å; I301-T593 PolarHBondContact O-N 3.43Å; I301-I595 HydrophobicContact CD1-CD1 3.19Å; I301-I595 HydrophobicContact CD1-CG1 3.27Å; I301-I595 HydrophobicContact CG1-CD1 4.24Å; I301-I595 HydrophobicContact CG1-CG1 3.86Å; I301-L597 HydrophobicContact CD1-CD1 4.03Å; I301-L597 HydrophobicContact CD1-CD2 3.81Å; I301-L597 HydrophobicContact CD1-CG 4.11Å
302	T	95.3	Very high	85.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.6	173	69.9	0	0	0	0	110.9	L300 S319 Y320 F330 I553 F583 I590 A591	L300-T302 HydrophobicContact CD2-CG2 3.74Å; T302-S319 WeakPolarHBondContact O-CA 3.39Å; T302-S319 VanDerWaalsContact O-CB 3.27Å; T302-S319 WeakPolarHBondContact O-CB 3.11Å; T302-Y320 PolarHBondContact N-O 3.47Å; T302-Y320 PolarHBondContact O-N 3.2Å; T302-Y320 VanDerWaalsContact O-N 3.13Å; T302-F330 HydrophobicContact CG2-CE1 4.13Å; T302-I553 HydrophobicContact CG2-CD1 3.72Å; T302-I553 HydrophobicContact CG2-CG2 4.3Å; T302-F583 HydrophobicContact CG2-CE2 3.89Å; T302-F583 HydrophobicContact CG2-CZ 4.36Å; T302-F583 VanDerWaalsContact OG1-CE2 3.29Å; T302-F583 WeakPolarHBondContact OG1-CE2 3.49Å; T302-F583 VanDerWaalsContact OG1-CZ 3.25Å; T302-F583 WeakPolarHBondContact OG1-CZ 3.48Å; T302-I590 HydrophobicContact CG2-CG2 4.15Å; T302-A591 CarbonylContact C-O 3.53Å; T302-A591 VanDerWaalsContact CA-O 3.24Å; T302-A591 WeakPolarHBondContact CA-O 3.31Å
303	F	94.4	Very high	84.7	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.6	-177.1	-60.4	-81.5	0	0	0	109.8	I301 M336 V345 V352 I354 W382 A591 T593	I301-F303 HydrophobicContact CB-CE2 4.09Å; I301-F303 HydrophobicContact CB-CZ 4.18Å; I301-F303 HydrophobicContact CG2-CD1 4.49Å; I301-F303 HydrophobicContact CG2-CD2 4.29Å; I301-F303 HydrophobicContact CG2-CE1 3.87Å; I301-F303 HydrophobicContact CG2-CE2 3.61Å; I301-F303 HydrophobicContact CG2-CZ 3.38Å; F303-M336 HydrophobicContact CB-SD 3.73Å; F303-M336 HydrophobicContact CD1-CG 4.3Å; F303-M336 HydrophobicContact CD1-SD 3.9Å; F303-M336 HydrophobicContact CG-SD 4.29Å; F303-V345 HydrophobicContact CD2-CG2 4.46Å; F303-V345 HydrophobicContact CE2-CG2 4.44Å; F303-V352 HydrophobicContact CE2-CG1 3.75Å; F303-V352 HydrophobicContact CZ-CG1 3.93Å; F303-V352 HydrophobicContact CZ-CG2 4.4Å; F303-I354 HydrophobicContact CB-CD1 3.73Å; F303-I354 HydrophobicContact CD1-CD1 3.57Å; F303-I354 HydrophobicContact CD2-CD1 3.84Å; F303-I354 HydrophobicContact CE1-CD1 4.08Å; F303-I354 HydrophobicContact CE2-CD1 4.32Å; F303-I354 HydrophobicContact CG-CD1 3.42Å; F303-I354 VanDerWaalsContact CG-CD1 3.42Å; F303-I354 HydrophobicContact CZ-CD1 4.42Å; F303-W382 AromaticContact CD1-CH2 3.98Å; F303-W382 HydrophobicContact CD1-CH2 3.98Å; F303-W382 HydrophobicContact CD1-CZ2 4.29Å; F303-W382 AromaticContact CE1-CH2 3.78Å; F303-W382 HydrophobicContact CE1-CH2 3.78Å; F303-W382 HydrophobicContact CE1-CZ2 4Å; F303-A591 HydrophobicContact CB-CB 4.29Å; F303-A591 PolarHBondContact N-O 3.28Å; F303-A591 PolarHBondContact O-N 3.47Å; F303-A591 VanDerWaalsContact O-N 3.16Å; F303-T593 HydrophobicContact CE2-CG2 4.11Å
304	G	93.3	Very high	84.2	Confident	2 Å²	2	48.1 Å²	48.1	2%	0.021	25%	0.251	C	S	.	.			trans	63.5	-148.4	171.9	0	0	0	0	0	114.3	S316 K318 C340 F587	G304-S316 WeakPolarHBondContact CA-O 3.32Å; G304-K318 PolarHBondContact N-O 2.56Å; G304-K318 VanDerWaalsContact N-O 3.08Å; G304-C340 CarbonylContact C-O 3.53Å; G304-C340 VanDerWaalsContact CA-O 3.3Å; G304-C340 WeakPolarHBondContact CA-O 3.04Å; G304-F587 WeakPolarHBondContact O-CD2 3.27Å
305	G	92.6	Very high	84	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.			trans	118.5	171	-172.9	0	0	0	0	0	112.3	S316 C340 A588	G305-S316 PolarHBondContact O-N 2.91Å; G305-C340 PolarHBondContact N-O 3.04Å; G305-A588 CarbonylContact C-O 3.43Å; G305-A588 VanDerWaalsContact CA-O 3.31Å; G305-A588 WeakPolarHBondContact CA-O 3.28Å
306	T	90.3	Very high	83.9	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-127.3	132	178.2	176.6	0	0	0	0	111.5	Y308 T314 S341 Q361 F587 A588	T306-Y308 VanDerWaalsContact C-N 3.26Å; T306-Y308 HydrophobicContact CG2-CD2 3.76Å; T306-Y308 HydrophobicContact CG2-CE2 3.76Å; T306-Y308 PolarHBondContact O-N 3.32Å; T306-Y308 PolarHBondContact OG1-N 3.04Å; T306-T314 PolarHBondContact OG1-O 2.88Å; T306-S341 WeakPolarHBondContact CG2-OG 3.17Å; T306-Q361 PolarHBondContact OG1-NE2 2.63Å; T306-Q361 PolarHBondContact OG1-OE1 2.83Å; T306-F587 CarbonylContact O-C 3.56Å; T306-F587 VanDerWaalsContact O-CA 3.27Å; T306-F587 WeakPolarHBondContact O-CA 3.47Å; T306-A588 HydrophobicContact CG2-CB 4.43Å; T306-A588 WeakPolarHBondContact CG2-O 3.34Å; T306-A588 PolarHBondContact N-O 3.13Å; T306-A588 PolarHBondContact O-N 3.2Å
307	P	82	Confident	83.9	Confident	39 Å²	39	46.5 Å²	46.5	25%	0.253	25%	0.247	S	C	.	.			trans	-77.1	-3.6	178.3	30	-33.5	0	0	0	114.6	T309 V563 S586 F587	P307-T309 HydrophobicContact CB-CG2 4.25Å; P307-T309 HydrophobicContact CG-CG2 4.25Å; P307-T309 PolarHBondContact O-N 3.3Å; P307-V563 VanDerWaalsContact O-CG2 3.25Å; P307-V563 WeakPolarHBondContact O-CG2 3.46Å; P307-S586 WeakPolarHBondContact CA-O 3.04Å; P307-F587 HydrophobicContact CB-CD1 3.92Å; P307-F587 HydrophobicContact CB-CE1 3.87Å; P307-F587 HydrophobicContact CG-CE1 4.22Å
308	Y	73.2	Confident	84	Confident	64 Å²	64	46.9 Å²	46.9	25%	0.251	24%	0.244	S	C	.	.			trans	49	54.8	-175.1	-92.9	-90.3	0	0	0	112.8	T306 Q361 Y556 V563 A588	T306-Y308 VanDerWaalsContact C-N 3.26Å; T306-Y308 HydrophobicContact CG2-CD2 3.76Å; T306-Y308 HydrophobicContact CG2-CE2 3.76Å; T306-Y308 PolarHBondContact O-N 3.32Å; T306-Y308 PolarHBondContact OG1-N 3.04Å; Y308-Q361 VanDerWaalsContact CD2-NE2 3.35Å; Y308-Q361 VanDerWaalsContact CE1-NE2 3.34Å; Y308-Q361 VanDerWaalsContact CE2-NE2 3.31Å; Y308-Q361 VanDerWaalsContact CZ-NE2 3.31Å; Y308-Y556 HydrophobicContact CD2-CD2 4.5Å; Y308-V563 HydrophobicContact CD2-CG1 3.58Å; Y308-V563 HydrophobicContact CG-CG1 4.02Å; Y308-A588 HydrophobicContact CD2-CB 4.1Å; Y308-A588 HydrophobicContact CE2-CB 3.93Å
309	T	67	Low	84	Confident	67 Å²	67	43.8 Å²	43.8	41%	0.411	23%	0.228	S	C	.	.			trans	-86.1	129.1	169.9	54	0	0	0	0	109.1	P307 N311 D312	P307-T309 HydrophobicContact CB-CG2 4.25Å; P307-T309 HydrophobicContact CG-CG2 4.25Å; P307-T309 PolarHBondContact O-N 3.3Å; T309-N311 PolarHBondContact O-N 3.27Å; T309-D312 PolarHBondContact O-N 2.89Å
310	D	56.8	Low	84	Confident	154 Å²	154	44.2 Å²	44.2	82%	0.824	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.1	-171.2	-79.2	-37.3	0	0	0	114.8
311	N	61.3	Low	83.9	Confident	166 Å²	166	45.1 Å²	45.1	89%	0.888	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-7.3	-171.8	-75.1	-8.6	0	0	0	115	T309	T309-N311 PolarHBondContact O-N 3.27Å
312	D	65	Low	83.8	Confident	87 Å²	87	45.1 Å²	45.1	47%	0.465	23%	0.233	S	C	.	.			trans	-138.2	129.4	-174.1	-165.3	8.2	0	0	0	111.7	T309 T314	T309-D312 PolarHBondContact O-N 2.89Å; D312-T314 VanDerWaalsContact CG-CG2 3.42Å; D312-T314 VanDerWaalsContact CG-OG1 3.22Å; D312-T314 PolarHBondContact O-N 2.75Å; D312-T314 WeakPolarHBondContact OD2-CG2 3.22Å; D312-T314 PolarHBondContact OD2-OG1 3.47Å
313	R	78.3	Confident	83.2	Confident	135 Å²	135	46.3 Å²	46.3	51%	0.509	24%	0.241	S	C	.	.			trans	-82.7	30.3	-179.7	-65.3	-175.1	-178.5	171.9	-0.3	111.4	L360 Q361 Y362	R313-L360 HydrophobicContact CB-CD2 4.43Å; R313-Q361 HydrophobicContact CB-CB 4.26Å; R313-Q361 WeakPolarHBondContact CD-O 3.36Å; R313-Q361 WeakPolarHBondContact CG-O 3.33Å; R313-Q361 PolarHBondContact O-N 3.16Å; R313-Y362 PolarHBondContact NH1-OH 3.06Å
314	T	83.9	Confident	82.5	Confident	55 Å²	55	50.3 Å²	50.3	34%	0.337	26%	0.262	S	S	.	.			trans	-73.2	143.4	-172.7	30.6	0	0	0	0	112.3	T306 D312	T306-T314 PolarHBondContact OG1-O 2.88Å; D312-T314 VanDerWaalsContact CG-CG2 3.42Å; D312-T314 VanDerWaalsContact CG-OG1 3.22Å; D312-T314 PolarHBondContact O-N 2.75Å; D312-T314 WeakPolarHBondContact OD2-CG2 3.22Å; D312-T314 PolarHBondContact OD2-OG1 3.47Å
315	V	89	Confident	81.7	Confident	23 Å²	23	51.4 Å²	51.4	14%	0.139	27%	0.271	C	S	.	.			trans	-122.9	145.7	170.8	-63.1	0	0	0	0	107.7	G339 H359	V315-G339 VanDerWaalsContact CG2-C 3.4Å; V315-G339 WeakPolarHBondContact CG2-O 3.38Å; V315-H359 WeakPolarHBondContact CG2-O 3.41Å
316	S	89.6	Confident	81.1	Confident	15 Å²	15	55.2 Å²	55.2	11%	0.105	30%	0.303	C	S	.	.			trans	-77.8	137.9	-175.6	-172.8	0	0	0	0	111.6	G304 G305 K318 M336 G339 C340	G304-S316 WeakPolarHBondContact CA-O 3.32Å; G305-S316 PolarHBondContact O-N 2.91Å; S316-K318 WeakPolarHBondContact OG-CB 3.47Å; S316-K318 PolarHBondContact OG-N 3.31Å; S316-K318 VanDerWaalsContact OG-N 3.09Å; S316-M336 WeakPolarHBondContact O-CE 3.32Å; S316-G339 WeakPolarHBondContact O-CA 3.46Å; S316-C340 PolarHBondContact O-N 3.07Å; S316-C340 VanDerWaalsContact O-N 3.12Å
317	T	89.9	Confident	80.5	Confident	51 Å²	51	57.6 Å²	57.6	31%	0.313	32%	0.319	S	S	.	.			trans	-87.3	-10.5	165.7	49.9	0	0	0	0	112.1	M336	T317-M336 PolarHBondContact O-N 3Å
318	K	89.7	Confident	80.6	Confident	59 Å²	59	60.7 Å²	60.7	26%	0.257	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	143.2	-171.1	-59.1	-175	-178.2	-179.9	0	111.3	G304 S316 Y320 E585	G304-K318 PolarHBondContact N-O 2.56Å; G304-K318 VanDerWaalsContact N-O 3.08Å; S316-K318 WeakPolarHBondContact OG-CB 3.47Å; S316-K318 PolarHBondContact OG-N 3.31Å; S316-K318 VanDerWaalsContact OG-N 3.09Å; K318-Y320 HydrophobicContact CB-CD2 4.41Å; K318-Y320 HydrophobicContact CB-CE2 3.71Å; K318-Y320 HydrophobicContact CD-CE2 4.24Å; K318-Y320 WeakPolarHBondContact CD-OH 3.48Å; K318-E585 IonicContact NZ-OE1 3.86Å; K318-E585 PolarHBondContact NZ-OE1 3.41Å
319	S	91.4	Very high	81.3	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.1	163.7	66.7	0	0	0	0	110	T302 L333 T334	T302-S319 WeakPolarHBondContact O-CA 3.39Å; T302-S319 VanDerWaalsContact O-CB 3.27Å; T302-S319 WeakPolarHBondContact O-CB 3.11Å; S319-L333 PolarHBondContact O-N 3.25Å; S319-T334 WeakPolarHBondContact CB-O 3.37Å; S319-T334 PolarHBondContact N-O 2.84Å; S319-T334 WeakPolarHBondContact OG-CG2 3.43Å; S319-T334 PolarHBondContact OG-N 3.49Å; S319-T334 VanDerWaalsContact OG-N 3.15Å; S319-T334 PolarHBondContact OG-O 3.34Å
320	Y	92.6	Very high	82.5	Confident	11 Å²	11	61.9 Å²	61.9	4%	0.043	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.9	176.4	-60.8	-95.4	0	0	0	109.5	I301 T302 K318 K331 E332 F583 P584 E585	I301-Y320 CarbonylContact C-O 3.59Å; I301-Y320 VanDerWaalsContact CA-O 3.29Å; I301-Y320 WeakPolarHBondContact CA-O 3.43Å; I301-Y320 WeakPolarHBondContact CG2-O 3.49Å; T302-Y320 PolarHBondContact N-O 3.47Å; T302-Y320 PolarHBondContact O-N 3.2Å; T302-Y320 VanDerWaalsContact O-N 3.13Å; K318-Y320 HydrophobicContact CB-CD2 4.41Å; K318-Y320 HydrophobicContact CB-CE2 3.71Å; K318-Y320 HydrophobicContact CD-CE2 4.24Å; K318-Y320 WeakPolarHBondContact CD-OH 3.48Å; Y320-K331 CarbonylContact C-O 3.59Å; Y320-K331 WeakPolarHBondContact CA-O 3.35Å; Y320-E332 HydrophobicContact CD1-CB 4.37Å; Y320-E332 HydrophobicContact CE1-CB 4.38Å; Y320-F583 HydrophobicContact CD2-CE1 4.29Å; Y320-F583 AromaticContact CD2-CE2 3.91Å; Y320-F583 HydrophobicContact CD2-CE2 3.91Å; Y320-F583 AromaticContact CD2-CZ 3.36Å; Y320-F583 HydrophobicContact CD2-CZ 3.36Å; Y320-F583 HydrophobicContact CE2-CE1 4.41Å; Y320-F583 AromaticContact CE2-CZ 3.9Å; Y320-F583 HydrophobicContact CE2-CZ 3.9Å; Y320-F583 AromaticContact CG-CE2 3.94Å; Y320-F583 HydrophobicContact CG-CE2 3.94Å; Y320-F583 AromaticContact CG-CZ 3.89Å; Y320-F583 HydrophobicContact CG-CZ 3.89Å; Y320-P584 HydrophobicContact CD1-CB 4.36Å; Y320-P584 HydrophobicContact CD1-CG 3.8Å; Y320-P584 HydrophobicContact CE1-CB 3.87Å; Y320-P584 HydrophobicContact CE1-CG 3.82Å; Y320-E585 PolarHBondContact OH-OE1 3.14Å
321	Y	92.7	Very high	84.1	Confident	18 Å²	18	59.4 Å²	59.4	7%	0.071	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.7	171.7	76.2	-67.3	0	0	0	111.6	L300 P323 F330 K331 L333 L597	L300-Y321 CarbonylContact O-C 3.52Å; L300-Y321 WeakPolarHBondContact O-CA 3.15Å; Y321-P323 HydrophobicContact CD2-CB 4.2Å; Y321-P323 HydrophobicContact CD2-CG 3.94Å; Y321-P323 HydrophobicContact CE2-CB 3.77Å; Y321-P323 HydrophobicContact CE2-CG 3.49Å; Y321-P323 VanDerWaalsContact CE2-CG 3.49Å; Y321-P323 WeakPolarHBondContact O-CD 3.27Å; Y321-F330 CarbonylContact O-C 3.5Å; Y321-F330 WeakPolarHBondContact O-CA 3.18Å; Y321-K331 HydrophobicContact CD1-CB 4.01Å; Y321-K331 VanDerWaalsContact CD1-O 3.31Å; Y321-K331 WeakPolarHBondContact CD1-O 3.33Å; Y321-K331 HydrophobicContact CE1-CB 3.55Å; Y321-K331 PolarHBondContact N-O 3.02Å; Y321-K331 PolarHBondContact O-N 3.44Å; Y321-L333 HydrophobicContact CD1-CB 3.65Å; Y321-L333 HydrophobicContact CD1-CD1 3.96Å; Y321-L333 HydrophobicContact CD1-CG 4.31Å; Y321-L333 HydrophobicContact CE1-CB 4.2Å; Y321-L333 HydrophobicContact CE1-CD1 3.99Å; Y321-L333 HydrophobicContact CG-CB 4.41Å; Y321-L333 HydrophobicContact CG-CD1 4.45Å; Y321-L597 HydrophobicContact CD2-CD1 3.48Å; Y321-L597 VanDerWaalsContact CD2-CD1 3.48Å; Y321-L597 HydrophobicContact CE2-CD1 4Å; Y321-L597 HydrophobicContact CG-CD1 4Å
322	L	91.8	Very high	85.5	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	104.9	166.9	-179.3	62.7	0	0	0	106.7	S299 L300 D324 Q329 F330 Y551 L581	S299-L322 WeakPolarHBondContact CA-O 3.48Å; S299-L322 WeakPolarHBondContact CB-O 3.28Å; L300-L322 HydrophobicContact CB-CB 4.15Å; L300-L322 PolarHBondContact N-O 3Å; L300-L322 PolarHBondContact O-N 2.89Å; L322-D324 VanDerWaalsContact C-N 3.29Å; L322-D324 PolarHBondContact O-N 2.89Å; L322-Q329 WeakPolarHBondContact CD1-O 3.39Å; L322-F330 HydrophobicContact CB-CD1 4.21Å; L322-F330 HydrophobicContact CB-CE1 4.01Å; L322-F330 HydrophobicContact CB-CZ 4.27Å; L322-Y551 HydrophobicContact CD2-CE1 4.17Å; L322-L581 HydrophobicContact CD2-CD2 4.24Å
323	P	83.4	Confident	86.4	Confident	25 Å²	25	53.6 Å²	53.6	16%	0.162	28%	0.276	C	S	.	.	S	Bend	trans	-60.2	-40.9	-173.3	-18.6	26.4	0	0	0	112.8	V297 S299 Y321 Q329 K331	V297-P323 WeakPolarHBondContact CG1-O 3.38Å; S299-P323 PolarHBondContact OG-O 3.26Å; S299-P323 VanDerWaalsContact OG-O 3.07Å; Y321-P323 HydrophobicContact CD2-CB 4.2Å; Y321-P323 HydrophobicContact CD2-CG 3.94Å; Y321-P323 HydrophobicContact CE2-CB 3.77Å; Y321-P323 HydrophobicContact CE2-CG 3.49Å; Y321-P323 VanDerWaalsContact CE2-CG 3.49Å; Y321-P323 WeakPolarHBondContact O-CD 3.27Å; P323-Q329 WeakPolarHBondContact CD-O 3.47Å; P323-K331 HydrophobicContact CG-CD 3.94Å; P323-K331 HydrophobicContact CG-CG 4.34Å
324	D	79.4	Confident	86.4	Confident	84 Å²	84	48.5 Å²	48.5	45%	0.449	26%	0.26	S	S	.	.			trans	-147.6	138.3	179.8	168.5	19.5	0	0	0	107.8	L322 A326 S327	L322-D324 VanDerWaalsContact C-N 3.29Å; L322-D324 PolarHBondContact O-N 2.89Å; D324-A326 PolarHBondContact O-N 2.92Å; D324-A326 PolarHBondContact OD1-N 3.24Å; D324-A326 WeakPolarHBondContact OD2-CB 3.23Å; D324-S327 WeakPolarHBondContact O-CB 3.34Å; D324-S327 PolarHBondContact O-N 3.4Å; D324-S327 PolarHBondContact O-OG 3.16Å
325	A	75.3	Confident	86.4	Confident	26 Å²	26	51.6 Å²	51.6	22%	0.215	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-55	-34.4	175.3	0	0	0	0	0	112.2	S327 R328 L546	A325-S327 VanDerWaalsContact C-N 3.32Å; A325-S327 PolarHBondContact O-N 3.12Å; A325-R328 WeakPolarHBondContact O-CG 3.37Å; A325-R328 PolarHBondContact O-N 3.4Å; A325-L546 HydrophobicContact CB-CD2 4.3Å
326	A	79.8	Confident	86.3	Confident	80 Å²	80	51.1 Å²	51.1	66%	0.661	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-71.6	-26.4	178.7	0	0	0	0	0	113.1	D324 R328	D324-A326 PolarHBondContact O-N 2.92Å; D324-A326 PolarHBondContact OD1-N 3.24Å; D324-A326 WeakPolarHBondContact OD2-CB 3.23Å; A326-R328 PolarHBondContact O-N 3.16Å
327	S	78.8	Confident	85.8	Confident	50 Å²	50	57.4 Å²	57.4	35%	0.35	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-66.3	-28.3	178.5	74.4	0	0	0	0	112.7	D324 A325 Q329	D324-S327 WeakPolarHBondContact O-CB 3.34Å; D324-S327 PolarHBondContact O-N 3.4Å; D324-S327 PolarHBondContact O-OG 3.16Å; A325-S327 VanDerWaalsContact C-N 3.32Å; A325-S327 PolarHBondContact O-N 3.12Å; S327-Q329 PolarHBondContact O-N 3.48Å
328	R	83.2	Confident	85.6	Confident	104 Å²	104	57.7 Å²	57.7	39%	0.392	30%	0.297	S	S	.	.			trans	47.4	31	-178.9	-59.8	-171.5	84.9	-141.2	-3.6	113.2	A325 A326 R579 D580 L581	A325-R328 WeakPolarHBondContact O-CG 3.37Å; A325-R328 PolarHBondContact O-N 3.4Å; A326-R328 PolarHBondContact O-N 3.16Å; R328-R579 PolarHBondContact NH2-O 3.03Å; R328-D580 PolarHBondContact NH2-O 3.26Å; R328-L581 HydrophobicContact CB-CD1 3.89Å; R328-L581 WeakPolarHBondContact O-CD1 3.41Å
329	Q	88.9	Confident	85.4	Confident	134 Å²	134	55.2 Å²	55.2	63%	0.626	29%	0.288	S	S	*	.			trans	-138.9	123	180	-72.4	-171.8	1.5	0	0	111	L322 P323 S327	L322-Q329 WeakPolarHBondContact CD1-O 3.39Å; P323-Q329 WeakPolarHBondContact CD-O 3.47Å; S327-Q329 PolarHBondContact O-N 3.48Å
330	F	91.9	Very high	85.4	Confident	22 Å²	22	55.5 Å²	55.5	10%	0.096	29%	0.29	C	S	.	.			trans	-75.8	141.7	171.4	-76.6	-91.9	0	0	0	110.7	L300 T302 Y321 L322 I553 V567 L581 F583 P584	L300-F330 HydrophobicContact CD2-CE1 3.79Å; L300-F330 HydrophobicContact CD2-CZ 4.14Å; T302-F330 HydrophobicContact CG2-CE1 4.13Å; Y321-F330 CarbonylContact O-C 3.5Å; Y321-F330 WeakPolarHBondContact O-CA 3.18Å; L322-F330 HydrophobicContact CB-CD1 4.21Å; L322-F330 HydrophobicContact CB-CE1 4.01Å; L322-F330 HydrophobicContact CB-CZ 4.27Å; F330-I553 HydrophobicContact CZ-CD1 4.38Å; F330-V567 HydrophobicContact CE2-CG2 4.11Å; F330-L581 HydrophobicContact CE2-CD2 3.88Å; F330-L581 HydrophobicContact CE2-CG 4.25Å; F330-F583 AromaticContact CD1-CD2 3.9Å; F330-F583 HydrophobicContact CD1-CD2 3.9Å; F330-F583 AromaticContact CD1-CE2 3.87Å; F330-F583 HydrophobicContact CD1-CE2 3.87Å; F330-F583 HydrophobicContact CD2-CD2 4.04Å; F330-F583 AromaticContact CE1-CD2 3.95Å; F330-F583 HydrophobicContact CE1-CD2 3.95Å; F330-F583 HydrophobicContact CE1-CE2 4.04Å; F330-F583 HydrophobicContact CE2-CD2 4.11Å; F330-F583 AromaticContact CG-CD2 3.94Å; F330-F583 HydrophobicContact CG-CD2 3.94Å; F330-F583 HydrophobicContact CG-CE2 4.26Å; F330-F583 HydrophobicContact CZ-CD2 4.06Å; F330-P584 HydrophobicContact CB-CG 3.59Å; F330-P584 HydrophobicContact CG-CG 4.49Å
331	K	91	Very high	85.4	Confident	101 Å²	101	55 Å²	55	44%	0.439	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	150.3	173	-64.1	-175.2	-177.8	-178.9	0	109.2	Y320 Y321 P323	Y320-K331 CarbonylContact C-O 3.59Å; Y320-K331 WeakPolarHBondContact CA-O 3.35Å; Y321-K331 HydrophobicContact CD1-CB 4.01Å; Y321-K331 VanDerWaalsContact CD1-O 3.31Å; Y321-K331 WeakPolarHBondContact CD1-O 3.33Å; Y321-K331 HydrophobicContact CE1-CB 3.55Å; Y321-K331 PolarHBondContact N-O 3.02Å; Y321-K331 PolarHBondContact O-N 3.44Å; P323-K331 HydrophobicContact CG-CD 3.94Å; P323-K331 HydrophobicContact CG-CG 4.34Å
332	E	90	Very high	85.5	Confident	101 Å²	101	55.2 Å²	55.2	47%	0.472	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.8	171.7	-163.8	169.9	147	0	0	109.4	Y320	Y320-E332 HydrophobicContact CD1-CB 4.37Å; Y320-E332 HydrophobicContact CE1-CB 4.38Å
333	L	83.8	Confident	85.6	Confident	31 Å²	31	55.6 Å²	55.6	16%	0.162	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-61.6	-177.1	-179.2	63.8	0	0	0	111.8	I301 S319 Y321 L597 T601	I301-L333 HydrophobicContact CD1-CD2 3.76Å; I301-L333 HydrophobicContact CG2-CD2 4.36Å; S319-L333 PolarHBondContact O-N 3.25Å; Y321-L333 HydrophobicContact CD1-CB 3.65Å; Y321-L333 HydrophobicContact CD1-CD1 3.96Å; Y321-L333 HydrophobicContact CD1-CG 4.31Å; Y321-L333 HydrophobicContact CE1-CB 4.2Å; Y321-L333 HydrophobicContact CE1-CD1 3.99Å; Y321-L333 HydrophobicContact CG-CB 4.41Å; Y321-L333 HydrophobicContact CG-CD1 4.45Å; L333-L597 HydrophobicContact CD1-CD1 4.43Å; L333-L597 HydrophobicContact CD2-CD2 4.41Å; L333-T601 HydrophobicContact CD1-CG2 3.52Å
334	T	78.3	Confident	86.3	Confident	28 Å²	28	55.1 Å²	55.1	17%	0.172	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	167.4	-176.4	-165.9	0	0	0	0	110.3	S319	S319-T334 WeakPolarHBondContact CB-O 3.37Å; S319-T334 PolarHBondContact N-O 2.84Å; S319-T334 WeakPolarHBondContact OG-CG2 3.43Å; S319-T334 PolarHBondContact OG-N 3.49Å; S319-T334 VanDerWaalsContact OG-N 3.15Å; S319-T334 PolarHBondContact OG-O 3.34Å
335	E	83.4	Confident	87.1	Confident	120 Å²	120	52.4 Å²	52.4	56%	0.561	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.6	170	-66.5	-173.1	163.8	0	0	109.1
336	M	87.1	Confident	88.1	Confident	12 Å²	12	51.5 Å²	51.5	6%	0.059	27%	0.269	C	S	.	.			trans	-69.1	145.2	169.8	-59	-177	-61	0	0	109.4	F303 S316 T317 T338 C340 I354 W382	F303-M336 HydrophobicContact CB-SD 3.73Å; F303-M336 HydrophobicContact CD1-CG 4.3Å; F303-M336 HydrophobicContact CD1-SD 3.9Å; F303-M336 HydrophobicContact CG-SD 4.29Å; S316-M336 WeakPolarHBondContact O-CE 3.32Å; T317-M336 PolarHBondContact O-N 3Å; M336-T338 PolarHBondContact O-N 3.21Å; M336-T338 VanDerWaalsContact O-N 3.13Å; M336-C340 HydrophobicContact CE-CB 4.42Å; M336-C340 VanDerWaalsContact CE-SG 3.54Å; M336-I354 HydrophobicContact SD-CD1 4.28Å; M336-W382 HydrophobicContact CB-CZ2 4.49Å; M336-W382 HydrophobicContact CG-CH2 4.26Å; M336-W382 HydrophobicContact CG-CZ2 3.87Å
337	E	80.4	Confident	88.9	Confident	148 Å²	148	49.9 Å²	49.9	69%	0.692	25%	0.25	S	S	*	.	S	Bend	trans	-55.7	-32.5	176.5	-174.7	179.7	176.2	0	0	112.2
338	T	83.9	Confident	89.8	Confident	57 Å²	57	48.2 Å²	48.2	35%	0.35	24%	0.237	S	C	.	.	S	Bend	trans	-138.1	133.5	175.2	-47.9	0	0	0	0	109.8	M336 H359	M336-T338 PolarHBondContact O-N 3.21Å; M336-T338 VanDerWaalsContact O-N 3.13Å; T338-H359 HydrophobicContact CG2-CB 4.45Å; T338-H359 VanDerWaalsContact CG2-CE1 3.43Å; T338-H359 WeakPolarHBondContact CG2-CE1 3.25Å; T338-H359 VanDerWaalsContact CG2-ND1 3.3Å; T338-H359 WeakPolarHBondContact CG2-ND1 3.39Å
339	G	86.3	Confident	90.4	Very high	7 Å²	7	46.3 Å²	46.3	7%	0.072	24%	0.235	C	C	.	.			trans	-64.2	144.4	176.5	0	0	0	0	0	111	V315 S316 H359	V315-G339 VanDerWaalsContact CG2-C 3.4Å; V315-G339 WeakPolarHBondContact CG2-O 3.38Å; S316-G339 WeakPolarHBondContact O-CA 3.46Å; G339-H359 PolarHBondContact O-ND1 2.96Å
340	C	90.9	Very high	90.7	Very high	6 Å²	6	41.5 Å²	41.5	4%	0.041	21%	0.214	C	C	.	.			trans	-144.3	154.3	-175.6	78.3	0	0	0	0	111.9	G304 G305 S316 M336 S343 Q358	G304-C340 CarbonylContact C-O 3.53Å; G304-C340 VanDerWaalsContact CA-O 3.3Å; G304-C340 WeakPolarHBondContact CA-O 3.04Å; G305-C340 PolarHBondContact N-O 3.04Å; S316-C340 PolarHBondContact O-N 3.07Å; S316-C340 VanDerWaalsContact O-N 3.12Å; M336-C340 HydrophobicContact CE-CB 4.42Å; M336-C340 VanDerWaalsContact CE-SG 3.54Å; C340-S343 VanDerWaalsContact CB-OG 3.28Å; C340-S343 WeakPolarHBondContact CB-OG 3.49Å; C340-S343 PolarHBondContact SG-OG 3.18Å; C340-Q358 WeakPolarHBondContact CA-O 3.43Å
341	S	93.1	Very high	90.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-145.7	147.9	170.9	-176.7	0	0	0	0	108.6	T306 S343 G357 Q358 A588	T306-S341 WeakPolarHBondContact CG2-OG 3.17Å; S341-S343 PolarHBondContact O-N 3.32Å; S341-G357 WeakPolarHBondContact O-CA 3.29Å; S341-Q358 PolarHBondContact N-O 2.92Å; S341-Q358 VanDerWaalsContact N-O 3.07Å; S341-Q358 WeakPolarHBondContact O-CG 3.42Å; S341-Q358 PolarHBondContact O-N 3.08Å; S341-A588 PolarHBondContact OG-O 3.23Å
342	H	94.4	Very high	91.2	Very high	21 Å²	21	35.9 Å²	35.9	10%	0.097	19%	0.189	C	C	.	.	S	Bend	trans	55.3	20	-174.6	-53.7	89	0	0	0	114.1	G357 Q358 E540 G589	H342-G357 WeakPolarHBondContact O-CA 3.41Å; H342-Q358 PolarHBondContact ND1-NE2 2.94Å; H342-E540 IonicContact CD2-OE2 2.62Å; H342-E540 IonicContact CE1-OE2 2.93Å; H342-E540 PolarHBondContact CE1-OE2 3.11Å; H342-E540 IonicContact NE2-OE2 3.09Å; H342-E540 PolarHBondContact NE2-OE2 3.21Å; H342-G589 PolarHBondContact N-O 3.45Å
343	S	95.1	Very high	91.5	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.07	17%	0.167	C	C	.	.			trans	-69.3	146.1	165.8	-58.3	0	0	0	0	108.5	C340 S341 G356 A591	C340-S343 VanDerWaalsContact CB-OG 3.28Å; C340-S343 WeakPolarHBondContact CB-OG 3.49Å; C340-S343 PolarHBondContact SG-OG 3.18Å; S341-S343 PolarHBondContact O-N 3.32Å; S343-G356 WeakPolarHBondContact CB-O 3.45Å; S343-G356 PolarHBondContact OG-O 2.96Å; S343-A591 WeakPolarHBondContact O-CB 3.34Å
344	C	96.4	Very high	92.1	Very high	15 Å²	15	30.1 Å²	30.1	10%	0.101	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	144.7	172.8	-63.7	0	0	0	0	109.5	I354 V355 F395 L397	C344-I354 WeakPolarHBondContact O-CA 3.35Å; C344-V355 PolarHBondContact N-O 2.99Å; C344-V355 PolarHBondContact O-N 2.89Å; C344-F395 HydrophobicContact CB-CE1 4.29Å; C344-F395 HydrophobicContact CB-CE2 3.94Å; C344-F395 HydrophobicContact CB-CZ 3.76Å; C344-F395 PolarHBondContact SG-O 2.88Å; C344-L397 HydrophobicContact CB-CB 3.35Å; C344-L397 HydrophobicContact CB-CD2 4.35Å; C344-L397 HydrophobicContact CB-CG 4.49Å
345	V	96.3	Very high	93	Very high	26 Å²	26	28.8 Å²	28.8	16%	0.158	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.7	177.1	66.3	0	0	0	0	110.3	F303 V352 Y353 I354 A591 S592 T593	F303-V345 HydrophobicContact CD2-CG2 4.46Å; F303-V345 HydrophobicContact CE2-CG2 4.44Å; V345-V352 HydrophobicContact CG2-CG1 3.28Å; V345-Y353 CarbonylContact C-O 3.57Å; V345-Y353 VanDerWaalsContact CA-O 3.24Å; V345-Y353 WeakPolarHBondContact CA-O 3.24Å; V345-I354 HydrophobicContact CG2-CG1 4.27Å; V345-A591 HydrophobicContact CB-CB 4.05Å; V345-A591 HydrophobicContact CG1-CB 3.93Å; V345-S592 WeakPolarHBondContact CG1-O 3.49Å; V345-T593 HydrophobicContact CG1-CG2 4.48Å; V345-T593 HydrophobicContact CG2-CG2 3.75Å
346	A	97.3	Very high	93.7	Very high	8 Å²	8	23.2 Å²	23.2	7%	0.066	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.6	172.4	0	0	0	0	0	109.7	Y353 L397 V399 L404	A346-Y353 PolarHBondContact N-O 2.8Å; A346-Y353 PolarHBondContact O-N 3.25Å; A346-L397 HydrophobicContact CB-CD2 3.61Å; A346-L397 HydrophobicContact CB-CG 3.84Å; A346-V399 HydrophobicContact CB-CG2 3.78Å; A346-L404 HydrophobicContact CB-CD2 4.32Å
347	V	97.3	Very high	94.1	Very high	45 Å²	45	22.7 Å²	22.7	27%	0.273	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.9	177.8	173.7	0	0	0	0	110.1	F351 V352 V399 T593 I595	V347-F351 WeakPolarHBondContact CA-O 3.24Å; V347-V352 HydrophobicContact CG2-CG2 4.14Å; V347-V399 WeakPolarHBondContact O-CG2 3.12Å; V347-T593 HydrophobicContact CG2-CG2 3.71Å; V347-T593 WeakPolarHBondContact CG2-OG1 3.42Å; V347-I595 HydrophobicContact CG1-CG2 4.18Å; V347-I595 HydrophobicContact CG2-CG2 3.69Å
348	L	96.8	Very high	94.6	Very high	15 Å²	15	15.9 Å²	15.9	8%	0.079	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	119.8	172.5	175	65.1	0	0	0	107.7	H284 N350 F351 Y353 V399 G402 L404 P424	H284-L348 HydrophobicContact CB-CD2 4.14Å; H284-L348 HydrophobicContact CB-CG 4.41Å; L348-N350 VanDerWaalsContact C-N 3.26Å; L348-N350 PolarHBondContact O-N 2.62Å; L348-F351 PolarHBondContact N-O 2.82Å; L348-F351 WeakPolarHBondContact O-CB 3.31Å; L348-F351 PolarHBondContact O-N 3.31Å; L348-Y353 HydrophobicContact CB-CD2 4.42Å; L348-Y353 HydrophobicContact CB-CE2 3.88Å; L348-V399 HydrophobicContact CB-CG2 4.31Å; L348-V399 HydrophobicContact CD1-CG1 3.96Å; L348-G402 WeakPolarHBondContact CD2-O 3.34Å; L348-L404 HydrophobicContact CD2-CD1 4.09Å; L348-P424 HydrophobicContact CD2-CG 4.01Å
349	D	95.1	Very high	94.9	Very high	64 Å²	64	15.5 Å²	15.5	34%	0.342	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	43.3	-179.9	-49.9	-47.3	0	0	0	113.5	H284 Q287 F351	H284-D349 WeakPolarHBondContact CA-OD2 3.29Å; H284-D349 WeakPolarHBondContact CB-OD2 3.4Å; Q287-D349 HydrophobicContact CG-CB 3.91Å; D349-F351 HydrophobicContact CB-CD2 4.35Å; D349-F351 PolarHBondContact O-N 3.22Å; D349-F351 VanDerWaalsContact O-N 3.08Å
350	N	95.9	Very high	94.8	Very high	33 Å²	33	19.6 Å²	19.6	18%	0.176	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-0.2	-176.1	-155.3	55.4	0	0	0	115.6	I293 L348 P377 I595 I596	I293-N350 WeakPolarHBondContact CD1-ND2 3.36Å; L348-N350 VanDerWaalsContact C-N 3.26Å; L348-N350 PolarHBondContact O-N 2.62Å; N350-P377 WeakPolarHBondContact ND2-CG 3.22Å; N350-P377 WeakPolarHBondContact O-CD 3.41Å; N350-P377 VanDerWaalsContact O-CG 3.25Å; N350-P377 WeakPolarHBondContact O-CG 3.32Å; N350-I595 WeakPolarHBondContact OD1-CB 3.49Å; N350-I596 PolarHBondContact ND2-O 3.13Å; N350-I596 PolarHBondContact OD1-N 2.89Å
351	F	96.4	Very high	94.5	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.026	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.9	166.5	-62.9	-74.6	0	0	0	110.4	Q283 V347 L348 D349 Y353 R374 D376	Q283-F351 HydrophobicContact CB-CE2 3.96Å; Q283-F351 HydrophobicContact CB-CZ 4.1Å; Q283-F351 VanDerWaalsContact OE1-CZ 3.32Å; V347-F351 WeakPolarHBondContact CA-O 3.24Å; L348-F351 PolarHBondContact N-O 2.82Å; L348-F351 WeakPolarHBondContact O-CB 3.31Å; L348-F351 PolarHBondContact O-N 3.31Å; D349-F351 HydrophobicContact CB-CD2 4.35Å; D349-F351 PolarHBondContact O-N 3.22Å; D349-F351 VanDerWaalsContact O-N 3.08Å; F351-Y353 HydrophobicContact CB-CE2 3.87Å; F351-R374 HydrophobicContact CB-CG 3.92Å; F351-R374 HydrophobicContact CD1-CG 4.46Å; F351-R374 HydrophobicContact CG-CG 4.44Å; F351-D376 HydrophobicContact CD1-CB 4.08Å; F351-D376 HydrophobicContact CE1-CB 3.93Å
352	V	96.8	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125	177.5	-178.3	0	0	0	0	109.3	F303 V345 V347 I354 R374 Y375 T593 I595	F303-V352 HydrophobicContact CE2-CG1 3.75Å; F303-V352 HydrophobicContact CZ-CG1 3.93Å; F303-V352 HydrophobicContact CZ-CG2 4.4Å; V345-V352 HydrophobicContact CG2-CG1 3.28Å; V347-V352 HydrophobicContact CG2-CG2 4.14Å; V352-I354 HydrophobicContact CG1-CG1 4.05Å; V352-R374 CarbonylContact O-C 3.46Å; V352-R374 VanDerWaalsContact O-CA 3.28Å; V352-R374 WeakPolarHBondContact O-CA 3.47Å; V352-Y375 HydrophobicContact CB-CD1 4.28Å; V352-Y375 HydrophobicContact CG2-CD1 4.18Å; V352-Y375 PolarHBondContact N-O 3.15Å; V352-Y375 PolarHBondContact O-N 2.9Å; V352-T593 HydrophobicContact CG1-CG2 4.16Å; V352-T593 HydrophobicContact CG2-CG2 4.21Å; V352-I595 HydrophobicContact CG2-CD1 3.78Å; V352-I595 HydrophobicContact CG2-CG2 3.47Å; V352-I595 VanDerWaalsContact CG2-CG2 3.47Å
353	Y	97.5	Very high	93.1	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.6	174.3	-67.4	-102.7	0	0	0	109.1	V345 A346 L348 F351 F373 R374 I385 L404 Y422	V345-Y353 CarbonylContact C-O 3.57Å; V345-Y353 VanDerWaalsContact CA-O 3.24Å; V345-Y353 WeakPolarHBondContact CA-O 3.24Å; A346-Y353 PolarHBondContact N-O 2.8Å; A346-Y353 PolarHBondContact O-N 3.25Å; L348-Y353 HydrophobicContact CB-CD2 4.42Å; L348-Y353 HydrophobicContact CB-CE2 3.88Å; F351-Y353 HydrophobicContact CB-CE2 3.87Å; Y353-F373 CarbonylContact C-O 3.49Å; Y353-F373 WeakPolarHBondContact CA-O 3.46Å; Y353-R374 HydrophobicContact CD1-CB 4.08Å; Y353-R374 HydrophobicContact CD1-CG 4.1Å; Y353-R374 HydrophobicContact CD2-CG 4.35Å; Y353-R374 HydrophobicContact CE1-CB 3.98Å; Y353-R374 HydrophobicContact CE1-CG 3.76Å; Y353-R374 HydrophobicContact CE2-CG 4.01Å; Y353-R374 HydrophobicContact CG-CG 4.38Å; Y353-R374 VanDerWaalsContact CZ-CD 3.41Å; Y353-R374 VanDerWaalsContact OH-CD 3.28Å; Y353-R374 WeakPolarHBondContact OH-CD 3.34Å; Y353-I385 HydrophobicContact CD1-CD1 3.69Å; Y353-I385 HydrophobicContact CE1-CD1 4.04Å; Y353-L404 VanDerWaalsContact CB-CD2 3.42Å; Y353-L404 HydrophobicContact CD1-CD2 3.62Å; Y353-L404 HydrophobicContact CD2-CD2 3.98Å; Y353-L404 HydrophobicContact CE1-CD2 4.35Å; Y353-L404 HydrophobicContact CG-CD2 3.4Å; Y353-Y422 AromaticContact CE1-CE1 3.99Å; Y353-Y422 HydrophobicContact CE1-CE1 3.99Å
354	I	96.1	Very high	92.5	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.046	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.3	175.4	-56.2	-169.1	0	0	0	108.4	F303 M336 C344 V345 V352 C372 F373 W382	F303-I354 HydrophobicContact CB-CD1 3.73Å; F303-I354 HydrophobicContact CD1-CD1 3.57Å; F303-I354 HydrophobicContact CD2-CD1 3.84Å; F303-I354 HydrophobicContact CE1-CD1 4.08Å; F303-I354 HydrophobicContact CE2-CD1 4.32Å; F303-I354 HydrophobicContact CG-CD1 3.42Å; F303-I354 VanDerWaalsContact CG-CD1 3.42Å; F303-I354 HydrophobicContact CZ-CD1 4.42Å; M336-I354 HydrophobicContact SD-CD1 4.28Å; C344-I354 WeakPolarHBondContact O-CA 3.35Å; V345-I354 HydrophobicContact CG2-CG1 4.27Å; V352-I354 HydrophobicContact CG1-CG1 4.05Å; I354-C372 WeakPolarHBondContact O-CA 3.45Å; I354-F373 PolarHBondContact N-O 2.79Å; I354-F373 PolarHBondContact O-N 3.34Å; I354-W382 HydrophobicContact CB-CZ3 4.43Å; I354-W382 HydrophobicContact CD1-CH2 3.43Å; I354-W382 VanDerWaalsContact CD1-CH2 3.43Å; I354-W382 HydrophobicContact CD1-CZ3 3.7Å; I354-W382 HydrophobicContact CG1-CH2 4.22Å; I354-W382 HydrophobicContact CG1-CZ3 4.03Å
355	V	97.6	Very high	91.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.8	-169.1	177.2	0	0	0	0	110.1	C344 C372 M388 F395 L397 W429	C344-V355 PolarHBondContact N-O 2.99Å; C344-V355 PolarHBondContact O-N 2.89Å; V355-C372 VanDerWaalsContact CG1-SG 3.56Å; V355-C372 HydrophobicContact CG2-CB 4.24Å; V355-M388 HydrophobicContact CG1-CE 3.52Å; V355-M388 HydrophobicContact CG1-CG 3.84Å; V355-M388 HydrophobicContact CG1-SD 3.31Å; V355-M388 WeakPolarHBondContact CG1-SD 2.91Å; V355-F395 HydrophobicContact CB-CZ 4.29Å; V355-F395 HydrophobicContact CG1-CE2 4.27Å; V355-F395 HydrophobicContact CG1-CZ 3.95Å; V355-F395 VanDerWaalsContact O-CZ 3.25Å; V355-F395 WeakPolarHBondContact O-CZ 3.48Å; V355-L397 HydrophobicContact CB-CD1 4.4Å; V355-L397 HydrophobicContact CB-CD2 3.91Å; V355-L397 HydrophobicContact CG2-CD1 4.28Å; V355-L397 HydrophobicContact CG2-CD2 3.68Å; V355-W429 HydrophobicContact CG1-CH2 4.21Å; V355-W429 HydrophobicContact CG1-CZ2 4.07Å; V355-W429 HydrophobicContact CG2-CZ2 4.24Å
356	G	96.6	Very high	91.5	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.031	18%	0.179	C	C	.	.			trans	59.1	-146.2	172.2	0	0	0	0	0	113.8	S343 V369 N371	S343-G356 WeakPolarHBondContact CB-O 3.45Å; S343-G356 PolarHBondContact OG-O 2.96Å; G356-V369 WeakPolarHBondContact CA-O 3.33Å; G356-N371 PolarHBondContact N-O 2.81Å
357	G	95.4	Very high	91.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.			trans	87.2	-147.7	-174.2	0	0	0	0	0	111.5	S341 H342 A368 V369 R392 I393	S341-G357 WeakPolarHBondContact O-CA 3.29Å; H342-G357 WeakPolarHBondContact O-CA 3.41Å; G357-A368 WeakPolarHBondContact O-CA 3.3Å; G357-V369 WeakPolarHBondContact O-CG2 3.4Å; G357-V369 PolarHBondContact O-N 2.86Å; G357-R392 PolarHBondContact N-O 3.28Å; G357-I393 WeakPolarHBondContact O-CG2 3.33Å
358	Q	92.6	Very high	91.1	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.023	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-140	143.3	-179.2	57.6	-177.8	-10	0	0	111.8	C340 S341 H342 L360 Y362 G367 I393	C340-Q358 WeakPolarHBondContact CA-O 3.43Å; S341-Q358 PolarHBondContact N-O 2.92Å; S341-Q358 VanDerWaalsContact N-O 3.07Å; S341-Q358 WeakPolarHBondContact O-CG 3.42Å; S341-Q358 PolarHBondContact O-N 3.08Å; H342-Q358 PolarHBondContact ND1-NE2 2.94Å; Q358-L360 PolarHBondContact OE1-O 2.7Å; Q358-Y362 PolarHBondContact OE1-O 2.82Å; Q358-G367 WeakPolarHBondContact CA-O 3.25Å; Q358-G367 WeakPolarHBondContact CB-O 3.31Å; Q358-I393 HydrophobicContact CB-CG2 4.03Å; Q358-I393 HydrophobicContact CG-CG2 4.5Å
359	H	88.6	Confident	91	Very high	50 Å²	50	36 Å²	36	23%	0.231	18%	0.177	C	C	.	.	S	Bend	trans	-96.4	-9.6	174.8	-64.8	-46.2	0	0	0	113.5	V315 T338 G339	V315-H359 WeakPolarHBondContact CG2-O 3.41Å; T338-H359 HydrophobicContact CG2-CB 4.45Å; T338-H359 VanDerWaalsContact CG2-CE1 3.43Å; T338-H359 WeakPolarHBondContact CG2-CE1 3.25Å; T338-H359 VanDerWaalsContact CG2-ND1 3.3Å; T338-H359 WeakPolarHBondContact CG2-ND1 3.39Å; G339-H359 PolarHBondContact O-ND1 2.96Å
360	L	85.8	Confident	91.1	Very high	92 Å²	92	35.6 Å²	35.6	48%	0.482	18%	0.175	S	C	.	.	S	Bend	trans	-139.3	137.8	174.2	-74	172.9	0	0	0	106.8	R313 Q358 Y362	R313-L360 HydrophobicContact CB-CD2 4.43Å; Q358-L360 PolarHBondContact OE1-O 2.7Å; L360-Y362 HydrophobicContact CB-CD2 4.14Å; L360-Y362 HydrophobicContact CB-CE2 3.66Å; L360-Y362 HydrophobicContact CD1-CE2 4.4Å; L360-Y362 VanDerWaalsContact O-CD2 3.31Å; L360-Y362 WeakPolarHBondContact O-CD2 3.27Å; L360-Y362 PolarHBondContact O-N 2.96Å; L360-Y362 VanDerWaalsContact O-N 3.13Å
361	Q	82.8	Confident	91.1	Very high	24 Å²	24	35.9 Å²	35.9	11%	0.112	18%	0.176	C	C	.	.			trans	-71.1	110.6	-176.7	-167.3	-175.4	21.5	0	0	111.2	T306 Y308 R313	T306-Q361 PolarHBondContact OG1-NE2 2.63Å; T306-Q361 PolarHBondContact OG1-OE1 2.83Å; Y308-Q361 VanDerWaalsContact CD2-NE2 3.35Å; Y308-Q361 VanDerWaalsContact CE1-NE2 3.34Å; Y308-Q361 VanDerWaalsContact CE2-NE2 3.31Å; Y308-Q361 VanDerWaalsContact CZ-NE2 3.31Å; R313-Q361 HydrophobicContact CB-CB 4.26Å; R313-Q361 WeakPolarHBondContact CD-O 3.36Å; R313-Q361 WeakPolarHBondContact CG-O 3.33Å; R313-Q361 PolarHBondContact O-N 3.16Å
362	Y	81.9	Confident	91.1	Very high	65 Å²	65	35.6 Å²	35.6	26%	0.255	18%	0.175	S	C	.	.			trans	-118.7	137.9	167.7	-70.7	-92.5	0	0	0	109.8	R313 Q358 L360 S364 E366 G367	R313-Y362 PolarHBondContact NH1-OH 3.06Å; Q358-Y362 PolarHBondContact OE1-O 2.82Å; L360-Y362 HydrophobicContact CB-CD2 4.14Å; L360-Y362 HydrophobicContact CB-CE2 3.66Å; L360-Y362 HydrophobicContact CD1-CE2 4.4Å; L360-Y362 VanDerWaalsContact O-CD2 3.31Å; L360-Y362 WeakPolarHBondContact O-CD2 3.27Å; L360-Y362 PolarHBondContact O-N 2.96Å; L360-Y362 VanDerWaalsContact O-N 3.13Å; Y362-S364 PolarHBondContact O-N 2.8Å; Y362-E366 HydrophobicContact CD1-CB 4.31Å; Y362-E366 HydrophobicContact CG-CB 4.48Å; Y362-G367 VanDerWaalsContact CD2-CA 3.46Å
363	R	76.8	Confident	91.1	Very high	198 Å²	198	36.7 Å²	36.7	75%	0.747	18%	0.18	S	C	*	.	S	Bend	trans	-72.8	-20.9	173	-65.1	-171.7	-176.2	-163.4	2	112.2	R410	R363-R410 PolarHBondContact O-NH1 2.88Å; R363-R410 PolarHBondContact O-NH2 2.83Å
364	S	83.4	Confident	91	Very high	43 Å²	43	37.1 Å²	37.1	30%	0.301	18%	0.182	S	C	.	.	S	Bend	trans	-96.1	175.4	177	63.8	0	0	0	0	111.3	Y362 E366 I393	Y362-S364 PolarHBondContact O-N 2.8Å; S364-E366 PolarHBondContact O-N 2.82Å; S364-E366 WeakPolarHBondContact OG-CB 3.01Å; S364-E366 WeakPolarHBondContact OG-CG 3.39Å; S364-E366 PolarHBondContact OG-N 2.89Å; S364-I393 WeakPolarHBondContact O-CD1 3.33Å
365	G	84.1	Confident	90.9	Very high	7 Å²	7	36.8 Å²	36.8	7%	0.072	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-71.3	2.3	172.5	0	0	0	0	0	115.2	G367 A368 N411 R412	G365-G367 VanDerWaalsContact C-N 3.28Å; G365-G367 PolarHBondContact O-N 2.95Å; G365-A368 WeakPolarHBondContact O-CB 3.19Å; G365-A368 PolarHBondContact O-N 3.13Å; G365-N411 CarbonylContact O-C 3.13Å; G365-N411 WeakPolarHBondContact O-CA 3.23Å; G365-R412 PolarHBondContact O-N 3.47Å
366	E	87.6	Confident	90.7	Very high	106 Å²	106	37.7 Å²	37.7	50%	0.495	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-66.3	-27.8	-174.7	-70.9	179.6	162.8	0	0	114.2	Y362 S364 A368 R412	Y362-E366 HydrophobicContact CD1-CB 4.31Å; Y362-E366 HydrophobicContact CG-CB 4.48Å; S364-E366 PolarHBondContact O-N 2.82Å; S364-E366 WeakPolarHBondContact OG-CB 3.01Å; S364-E366 WeakPolarHBondContact OG-CG 3.39Å; S364-E366 PolarHBondContact OG-N 2.89Å; E366-A368 VanDerWaalsContact C-N 3.31Å; E366-R412 HydrophobicContact CG-CG 4.34Å
367	G	89.3	Confident	90.5	Very high	10 Å²	10	37.8 Å²	37.8	10%	0.103	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-84.5	2.2	178.7	0	0	0	0	0	114.8	Q358 Y362 G365	Q358-G367 WeakPolarHBondContact CA-O 3.25Å; Q358-G367 WeakPolarHBondContact CB-O 3.31Å; Y362-G367 VanDerWaalsContact CD2-CA 3.46Å; G365-G367 VanDerWaalsContact C-N 3.28Å; G365-G367 PolarHBondContact O-N 2.95Å
368	A	95.6	Very high	90.2	Very high	14 Å²	14	40.2 Å²	40.2	12%	0.116	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-67	135.1	-175.5	0	0	0	0	0	112.6	G357 G365 E366 S391 I393 N411	G357-A368 WeakPolarHBondContact O-CA 3.3Å; G365-A368 WeakPolarHBondContact O-CB 3.19Å; G365-A368 PolarHBondContact O-N 3.13Å; E366-A368 VanDerWaalsContact C-N 3.31Å; A368-S391 WeakPolarHBondContact O-CB 3.24Å; A368-S391 PolarHBondContact O-OG 3.44Å; A368-I393 HydrophobicContact CB-CB 4.38Å; A368-I393 HydrophobicContact CB-CG1 4.21Å; A368-I393 HydrophobicContact CB-CG2 3.74Å; A368-N411 HydrophobicContact CB-CB 3.99Å
369	V	96.3	Very high	89.9	Confident	24 Å²	24	42 Å²	42	15%	0.145	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-118.5	162.9	178	-53.3	0	0	0	0	112	G356 G357 S391 R392	G356-V369 WeakPolarHBondContact CA-O 3.33Å; G357-V369 WeakPolarHBondContact O-CG2 3.4Å; G357-V369 PolarHBondContact O-N 2.86Å; V369-S391 VanDerWaalsContact C-CB 3.44Å; V369-S391 WeakPolarHBondContact O-CA 3.15Å; V369-R392 PolarHBondContact O-N 3.47Å
370	D	96.8	Very high	89.9	Confident	57 Å²	57	42.7 Å²	42.7	31%	0.305	21%	0.211	S	C	.	.			trans	-111.1	-2	179.9	62.4	12.4	0	0	0	113.1	C372 S387 M388	D370-C372 PolarHBondContact O-SG 2.88Å; D370-S387 WeakPolarHBondContact O-CA 3.37Å; D370-S387 WeakPolarHBondContact O-CB 3.32Å; D370-S387 PolarHBondContact OD1-OG 3.31Å; D370-M388 HydrophobicContact CB-CB 4.21Å; D370-M388 PolarHBondContact O-N 2.87Å
371	N	95.6	Very high	90	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.203	21%	0.213	C	C	.	.			trans	-59	140.4	-177.3	-63.9	63.4	0	0	0	111.4	G356 F373	G356-N371 PolarHBondContact N-O 2.81Å; N371-F373 HydrophobicContact CB-CE2 3.84Å; N371-F373 HydrophobicContact CB-CZ 4.43Å
372	C	96.6	Very high	90.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.7	-179.3	-60.9	0	0	0	0	109.3	I354 V355 D370 I385 Q386	I354-C372 WeakPolarHBondContact O-CA 3.45Å; V355-C372 VanDerWaalsContact CG1-SG 3.56Å; V355-C372 HydrophobicContact CG2-CB 4.24Å; D370-C372 PolarHBondContact O-SG 2.88Å; C372-I385 HydrophobicContact CB-CD1 3.79Å; C372-I385 HydrophobicContact CB-CG1 3.29Å; C372-I385 PolarHBondContact O-N 2.61Å; C372-Q386 WeakPolarHBondContact CB-O 3.37Å; C372-Q386 PolarHBondContact SG-O 3.23Å
373	F	95.6	Very high	91	Very high	24 Å²	24	44.6 Å²	44.6	11%	0.105	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.9	177.6	-57.7	-91.2	0	0	0	110.5	Y353 I354 N371 W382 L383 R384	Y353-F373 CarbonylContact C-O 3.49Å; Y353-F373 WeakPolarHBondContact CA-O 3.46Å; I354-F373 PolarHBondContact N-O 2.79Å; I354-F373 PolarHBondContact O-N 3.34Å; N371-F373 HydrophobicContact CB-CE2 3.84Å; N371-F373 HydrophobicContact CB-CZ 4.43Å; F373-W382 HydrophobicContact CB-CE3 3.78Å; F373-W382 HydrophobicContact CB-CZ3 4.18Å; F373-L383 CarbonylContact C-O 3.55Å; F373-L383 WeakPolarHBondContact CA-O 3.45Å; F373-R384 HydrophobicContact CD1-CB 4.17Å; F373-R384 HydrophobicContact CD1-CG 4.4Å; F373-R384 HydrophobicContact CE1-CB 4.22Å; F373-R384 HydrophobicContact CE1-CG 4.21Å
374	R	96.1	Very high	91.9	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.038	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.6	169.6	-173.6	-173	76.2	169.7	8.8	109.1	P280 F351 V352 Y353 L383 I385	P280-R374 PolarHBondContact O-NH1 3.15Å; P280-R374 PolarHBondContact O-NH2 3.08Å; F351-R374 HydrophobicContact CB-CG 3.92Å; F351-R374 HydrophobicContact CD1-CG 4.46Å; F351-R374 HydrophobicContact CG-CG 4.44Å; V352-R374 CarbonylContact O-C 3.46Å; V352-R374 VanDerWaalsContact O-CA 3.28Å; V352-R374 WeakPolarHBondContact O-CA 3.47Å; Y353-R374 HydrophobicContact CD1-CB 4.08Å; Y353-R374 HydrophobicContact CD1-CG 4.1Å; Y353-R374 HydrophobicContact CD2-CG 4.35Å; Y353-R374 HydrophobicContact CE1-CB 3.98Å; Y353-R374 HydrophobicContact CE1-CG 3.76Å; Y353-R374 HydrophobicContact CE2-CG 4.01Å; Y353-R374 HydrophobicContact CG-CG 4.38Å; Y353-R374 VanDerWaalsContact CZ-CD 3.41Å; Y353-R374 VanDerWaalsContact OH-CD 3.28Å; Y353-R374 WeakPolarHBondContact OH-CD 3.34Å; R374-L383 HydrophobicContact CB-CB 4.48Å; R374-L383 PolarHBondContact N-O 2.91Å; R374-L383 PolarHBondContact O-N 2.84Å; R374-I385 HydrophobicContact CB-CG2 3.92Å
375	Y	93.9	Very high	92.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.5	174.1	173.8	-110.9	0	0	0	110.9	V352 P377 N380 Q381 W382 I595	V352-Y375 HydrophobicContact CB-CD1 4.28Å; V352-Y375 HydrophobicContact CG2-CD1 4.18Å; V352-Y375 PolarHBondContact N-O 3.15Å; V352-Y375 PolarHBondContact O-N 2.9Å; Y375-P377 HydrophobicContact CD1-CB 4.5Å; Y375-P377 HydrophobicContact CE1-CB 3.93Å; Y375-N380 VanDerWaalsContact CE2-OD1 3.28Å; Y375-N380 WeakPolarHBondContact CE2-OD1 3.34Å; Y375-N380 PolarHBondContact OH-OD1 2.87Å; Y375-Q381 WeakPolarHBondContact CA-O 3.23Å; Y375-Q381 WeakPolarHBondContact CD2-O 3.45Å; Y375-W382 AromaticContact CD2-CD2 3.87Å; Y375-W382 HydrophobicContact CD2-CD2 3.87Å; Y375-W382 AromaticContact CD2-CE2 3.55Å; Y375-W382 HydrophobicContact CD2-CE3 4.42Å; Y375-W382 HydrophobicContact CD2-CG 4.22Å; Y375-W382 HydrophobicContact CD2-CH2 4.37Å; Y375-W382 AromaticContact CD2-CZ2 3.82Å; Y375-W382 HydrophobicContact CD2-CZ2 3.82Å; Y375-W382 AromaticContact CD2-NE1 3.75Å; Y375-W382 HydrophobicContact CE2-CZ2 4.48Å; Y375-W382 HydrophobicContact CG-CD2 4.34Å; Y375-W382 HydrophobicContact CG-CE3 4.45Å; Y375-W382 HydrophobicContact CG-CH2 4.12Å; Y375-W382 HydrophobicContact CG-CZ2 4.01Å; Y375-W382 HydrophobicContact CG-CZ3 4.37Å; Y375-I595 HydrophobicContact CE1-CD1 4.31Å
376	D	93.2	Very high	93.3	Very high	20 Å²	20	45.1 Å²	45.1	11%	0.107	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.1	171.3	-174.9	-16.9	0	0	0	109.3	F351 H378 L379 N380 Q381	F351-D376 HydrophobicContact CD1-CB 4.08Å; F351-D376 HydrophobicContact CE1-CB 3.93Å; D376-H378 PolarHBondContact O-N 2.99Å; D376-H378 WeakPolarHBondContact OD1-CA 3.41Å; D376-H378 VanDerWaalsContact OD1-CB 3.22Å; D376-H378 WeakPolarHBondContact OD1-CB 3.14Å; D376-H378 PolarHBondContact OD1-N 3.07Å; D376-L379 PolarHBondContact OD1-N 3.43Å; D376-N380 VanDerWaalsContact O-CA 3.3Å; D376-N380 WeakPolarHBondContact O-CA 3.35Å; D376-N380 PolarHBondContact O-N 2.79Å; D376-Q381 PolarHBondContact N-O 2.83Å; D376-Q381 PolarHBondContact O-N 3.37Å
377	P	91.8	Very high	93.8	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.032	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.6	179.5	27.4	-33.6	0	0	0	113.9	I293 N350 Y375 I595 L597 P598	I293-P377 HydrophobicContact CD1-CB 4.27Å; I293-P377 HydrophobicContact CD1-CG 3.9Å; N350-P377 WeakPolarHBondContact ND2-CG 3.22Å; N350-P377 WeakPolarHBondContact O-CD 3.41Å; N350-P377 VanDerWaalsContact O-CG 3.25Å; N350-P377 WeakPolarHBondContact O-CG 3.32Å; Y375-P377 HydrophobicContact CD1-CB 4.5Å; Y375-P377 HydrophobicContact CE1-CB 3.93Å; P377-I595 HydrophobicContact CB-CD1 3.62Å; P377-I595 HydrophobicContact CG-CD1 3.97Å; P377-L597 HydrophobicContact CB-CD2 3.98Å; P377-P598 VanDerWaalsContact O-CD 3.27Å; P377-P598 WeakPolarHBondContact O-CD 3.49Å; P377-P598 WeakPolarHBondContact O-CG 3.48Å
378	H	89.1	Confident	94.2	Very high	50 Å²	50	41 Å²	41	23%	0.231	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-50	176.8	174.1	59.1	0	0	0	111	L244 I293 D376	L244-H378 PolarHBondContact O-CE1 3.41Å; L244-H378 VanDerWaalsContact O-CE1 3.31Å; L244-H378 PolarHBondContact O-NE2 2.91Å; I293-H378 HydrophobicContact CD1-CB 3.71Å; I293-H378 HydrophobicContact CG1-CB 3.9Å; D376-H378 PolarHBondContact O-N 2.99Å; D376-H378 WeakPolarHBondContact OD1-CA 3.41Å; D376-H378 VanDerWaalsContact OD1-CB 3.22Å; D376-H378 WeakPolarHBondContact OD1-CB 3.14Å; D376-H378 PolarHBondContact OD1-N 3.07Å
379	L	87.6	Confident	94.3	Very high	43 Å²	43	45.1 Å²	45.1	23%	0.225	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-11	179.8	-62.7	-180	0	0	0	113.3	L246 D376 Q381	L246-L379 HydrophobicContact CD2-CD2 3.75Å; D376-L379 PolarHBondContact OD1-N 3.43Å; L379-Q381 VanDerWaalsContact C-N 3.29Å; L379-Q381 HydrophobicContact CB-CB 4.1Å; L379-Q381 HydrophobicContact CB-CG 4.02Å; L379-Q381 PolarHBondContact O-N 2.83Å
380	N	87.9	Confident	94.3	Very high	65 Å²	65	46.3 Å²	46.3	35%	0.348	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	48.8	-168.1	-171.5	33	0	0	0	111.4	Y375 D376	Y375-N380 VanDerWaalsContact CE2-OD1 3.28Å; Y375-N380 WeakPolarHBondContact CE2-OD1 3.34Å; Y375-N380 PolarHBondContact OH-OD1 2.87Å; D376-N380 VanDerWaalsContact O-CA 3.3Å; D376-N380 WeakPolarHBondContact O-CA 3.35Å; D376-N380 PolarHBondContact O-N 2.79Å
381	Q	89.3	Confident	94.4	Very high	110 Å²	110	45.1 Å²	45.1	51%	0.514	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.9	-174.6	-75.8	179.7	0.5	0	0	111.8	Y375 D376 L379	Y375-Q381 WeakPolarHBondContact CA-O 3.23Å; Y375-Q381 WeakPolarHBondContact CD2-O 3.45Å; D376-Q381 PolarHBondContact N-O 2.83Å; D376-Q381 PolarHBondContact O-N 3.37Å; L379-Q381 VanDerWaalsContact C-N 3.29Å; L379-Q381 HydrophobicContact CB-CB 4.1Å; L379-Q381 HydrophobicContact CB-CG 4.02Å; L379-Q381 PolarHBondContact O-N 2.83Å
382	W	91.7	Very high	94.5	Very high	58 Å²	58	43.3 Å²	43.3	22%	0.22	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.4	174.6	-64.4	89.8	0	0	0	110.2	F303 M336 I354 F373 Y375	F303-W382 AromaticContact CD1-CH2 3.98Å; F303-W382 HydrophobicContact CD1-CH2 3.98Å; F303-W382 HydrophobicContact CD1-CZ2 4.29Å; F303-W382 AromaticContact CE1-CH2 3.78Å; F303-W382 HydrophobicContact CE1-CH2 3.78Å; F303-W382 HydrophobicContact CE1-CZ2 4Å; M336-W382 HydrophobicContact CB-CZ2 4.49Å; M336-W382 HydrophobicContact CG-CH2 4.26Å; M336-W382 HydrophobicContact CG-CZ2 3.87Å; I354-W382 HydrophobicContact CB-CZ3 4.43Å; I354-W382 HydrophobicContact CD1-CH2 3.43Å; I354-W382 VanDerWaalsContact CD1-CH2 3.43Å; I354-W382 HydrophobicContact CD1-CZ3 3.7Å; I354-W382 HydrophobicContact CG1-CH2 4.22Å; I354-W382 HydrophobicContact CG1-CZ3 4.03Å; F373-W382 HydrophobicContact CB-CE3 3.78Å; F373-W382 HydrophobicContact CB-CZ3 4.18Å; Y375-W382 AromaticContact CD2-CD2 3.87Å; Y375-W382 HydrophobicContact CD2-CD2 3.87Å; Y375-W382 AromaticContact CD2-CE2 3.55Å; Y375-W382 HydrophobicContact CD2-CE3 4.42Å; Y375-W382 HydrophobicContact CD2-CG 4.22Å; Y375-W382 HydrophobicContact CD2-CH2 4.37Å; Y375-W382 AromaticContact CD2-CZ2 3.82Å; Y375-W382 HydrophobicContact CD2-CZ2 3.82Å; Y375-W382 AromaticContact CD2-NE1 3.75Å; Y375-W382 HydrophobicContact CE2-CZ2 4.48Å; Y375-W382 HydrophobicContact CG-CD2 4.34Å; Y375-W382 HydrophobicContact CG-CE3 4.45Å; Y375-W382 HydrophobicContact CG-CH2 4.12Å; Y375-W382 HydrophobicContact CG-CZ2 4.01Å; Y375-W382 HydrophobicContact CG-CZ3 4.37Å
383	L	93.5	Very high	94.4	Very high	53 Å²	53	43.4 Å²	43.4	28%	0.277	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.4	170.7	176.6	65.9	0	0	0	108.1	P280 F281 F373 R374 I385	P280-L383 HydrophobicContact CB-CD2 4.09Å; F281-L383 HydrophobicContact CD1-CD2 4.45Å; F281-L383 HydrophobicContact CE1-CD2 3.9Å; F281-L383 HydrophobicContact CZ-CD2 4.3Å; F373-L383 CarbonylContact C-O 3.55Å; F373-L383 WeakPolarHBondContact CA-O 3.45Å; R374-L383 HydrophobicContact CB-CB 4.48Å; R374-L383 PolarHBondContact N-O 2.91Å; R374-L383 PolarHBondContact O-N 2.84Å; L383-I385 HydrophobicContact CD2-CG2 4.49Å; L383-I385 HydrophobicContact CG-CG2 4.39Å; L383-I385 PolarHBondContact O-N 3.03Å
384	R	95.6	Very high	94.5	Very high	155 Å²	155	43.3 Å²	43.3	59%	0.585	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.4	169.4	-173.2	174	179	172.4	1	109.3	F373	F373-R384 HydrophobicContact CD1-CB 4.17Å; F373-R384 HydrophobicContact CD1-CG 4.4Å; F373-R384 HydrophobicContact CE1-CB 4.22Å; F373-R384 HydrophobicContact CE1-CG 4.21Å
385	I	97.3	Very high	94.5	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	20%	0.203	C	C	.	.			trans	-109	176.4	176.2	70.2	-178.4	0	0	0	109.7	F281 Y353 C372 R374 L383 S387 Y422 N427	F281-I385 HydrophobicContact CE1-CG2 4.2Å; Y353-I385 HydrophobicContact CD1-CD1 3.69Å; Y353-I385 HydrophobicContact CE1-CD1 4.04Å; C372-I385 HydrophobicContact CB-CD1 3.79Å; C372-I385 HydrophobicContact CB-CG1 3.29Å; C372-I385 PolarHBondContact O-N 2.61Å; R374-I385 HydrophobicContact CB-CG2 3.92Å; L383-I385 HydrophobicContact CD2-CG2 4.49Å; L383-I385 HydrophobicContact CG-CG2 4.39Å; L383-I385 PolarHBondContact O-N 3.03Å; I385-S387 PolarHBondContact O-N 2.9Å; I385-Y422 HydrophobicContact CD1-CE1 3.91Å; I385-Y422 HydrophobicContact CD1-CE2 4.3Å; I385-N427 WeakPolarHBondContact CB-OD1 3.31Å
386	Q	98.3	Very high	94.7	Very high	97 Å²	97	45 Å²	45	45%	0.453	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-56.5	130.6	178.9	-173	58.3	43.6	0	0	110.9	C372 Y422 N427 W429	C372-Q386 WeakPolarHBondContact CB-O 3.37Å; C372-Q386 PolarHBondContact SG-O 3.23Å; Q386-Y422 HydrophobicContact CB-CE2 4.34Å; Q386-N427 WeakPolarHBondContact CB-O 3.4Å; Q386-N427 WeakPolarHBondContact CB-OD1 3.44Å; Q386-N427 WeakPolarHBondContact CG-O 3.37Å; Q386-N427 PolarHBondContact N-OD1 2.8Å; Q386-W429 PolarHBondContact O-NE1 3.26Å
387	S	98.2	Very high	94.9	Very high	24 Å²	24	44.3 Å²	44.3	17%	0.168	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-63.6	149.2	173.7	-72.2	0	0	0	0	110.8	D370 I385	D370-S387 WeakPolarHBondContact O-CA 3.37Å; D370-S387 WeakPolarHBondContact O-CB 3.32Å; D370-S387 PolarHBondContact OD1-OG 3.31Å; I385-S387 PolarHBondContact O-N 2.9Å
388	M	98.2	Very high	95.2	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.025	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-58.2	156.5	168.8	-69.4	-176.5	-64.6	0	0	110.6	V355 D370 E390 R392 F395 A406 W429	V355-M388 HydrophobicContact CG1-CE 3.52Å; V355-M388 HydrophobicContact CG1-CG 3.84Å; V355-M388 HydrophobicContact CG1-SD 3.31Å; V355-M388 WeakPolarHBondContact CG1-SD 2.91Å; D370-M388 HydrophobicContact CB-CB 4.21Å; D370-M388 PolarHBondContact O-N 2.87Å; M388-E390 VanDerWaalsContact CB-O 3.3Å; M388-E390 WeakPolarHBondContact CB-O 3.46Å; M388-R392 HydrophobicContact CE-CB 4.07Å; M388-R392 HydrophobicContact CE-CG 4.13Å; M388-R392 HydrophobicContact SD-CG 4.32Å; M388-F395 HydrophobicContact CE-CZ 4.26Å; M388-F395 HydrophobicContact SD-CE2 4.35Å; M388-F395 HydrophobicContact SD-CZ 4.46Å; M388-A406 HydrophobicContact SD-CB 3.88Å; M388-W429 HydrophobicContact CG-CD2 4.03Å; M388-W429 HydrophobicContact CG-CE3 4.37Å; M388-W429 HydrophobicContact CG-CH2 4.1Å; M388-W429 HydrophobicContact CG-CZ2 3.74Å; M388-W429 HydrophobicContact CG-CZ3 4.4Å; M388-W429 HydrophobicContact SD-CH2 4.49Å
389	Q	98	Very high	95.6	Very high	102 Å²	102	43.9 Å²	43.9	48%	0.477	21%	0.21	S	C	.	.	S	Bend	trans	-74.2	-29.8	175.1	-57.5	-166.1	43.5	0	0	111.9	E420 W429 Y431	Q389-E420 WeakPolarHBondContact CB-OE2 3.47Å; Q389-E420 PolarHBondContact N-OE2 3.49Å; Q389-W429 HydrophobicContact CG-CB 4.33Å; Q389-W429 PolarHBondContact NE2-O 2.79Å; Q389-Y431 HydrophobicContact CB-CE1 4.5Å; Q389-Y431 HydrophobicContact CB-CE2 4.27Å; Q389-Y431 WeakPolarHBondContact CB-OH 3.07Å; Q389-Y431 HydrophobicContact CG-CE2 4.49Å
390	E	97.2	Very high	96	Very high	48 Å²	48	42.2 Å²	42.2	22%	0.224	20%	0.201	C	C	.	.	S	Bend	trans	-117.6	140.4	169.6	-65	-167	-123.7	0	0	111.7	M388 N411 L416 S418 E420	M388-E390 VanDerWaalsContact CB-O 3.3Å; M388-E390 WeakPolarHBondContact CB-O 3.46Å; E390-N411 PolarHBondContact OE2-ND2 3.35Å; E390-L416 HydrophobicContact CB-CD1 4.41Å; E390-L416 WeakPolarHBondContact OE2-CD2 3.43Å; E390-S418 VanDerWaalsContact OE1-CB 3.29Å; E390-S418 WeakPolarHBondContact OE1-CB 3.31Å; E390-S418 PolarHBondContact OE1-OG 2.95Å; E390-E420 PolarHBondContact N-OE1 2.85Å; E390-E420 VanDerWaalsContact N-OE1 3.17Å
391	S	97.4	Very high	96.3	Very high	32 Å²	32	44 Å²	44	22%	0.224	21%	0.207	C	C	.	.			trans	-69.8	143	167.4	64.6	0	0	0	0	110.7	A368 V369 N411	A368-S391 WeakPolarHBondContact O-CB 3.24Å; A368-S391 PolarHBondContact O-OG 3.44Å; V369-S391 VanDerWaalsContact C-CB 3.44Å; V369-S391 WeakPolarHBondContact O-CA 3.15Å; S391-N411 VanDerWaalsContact O-CB 3.24Å; S391-N411 WeakPolarHBondContact O-CB 3.16Å; S391-N411 PolarHBondContact O-ND2 2.87Å
392	R	97.4	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-144.4	135.7	-173.2	-56.6	179.2	-176.4	-96.1	-5.4	112.2	G357 V369 M388 F395 G408 L416 S418 E420	G357-R392 PolarHBondContact N-O 3.28Å; V369-R392 PolarHBondContact O-N 3.47Å; M388-R392 HydrophobicContact CE-CB 4.07Å; M388-R392 HydrophobicContact CE-CG 4.13Å; M388-R392 HydrophobicContact SD-CG 4.32Å; R392-F395 HydrophobicContact CB-CB 4.11Å; R392-F395 HydrophobicContact CB-CD1 3.43Å; R392-F395 VanDerWaalsContact CB-CD1 3.43Å; R392-F395 HydrophobicContact CB-CD2 4.32Å; R392-F395 HydrophobicContact CB-CE1 3.84Å; R392-F395 HydrophobicContact CB-CG 3.71Å; R392-F395 HydrophobicContact CB-CZ 4.43Å; R392-F395 WeakPolarHBondContact O-CE1 3.47Å; R392-G408 PolarHBondContact NH1-O 3.41Å; R392-L416 HydrophobicContact CG-CD1 3.92Å; R392-S418 PolarHBondContact NH1-O 2.98Å; R392-S418 PolarHBondContact NH1-OG 2.93Å; R392-S418 PolarHBondContact NH2-OG 3.04Å; R392-E420 IonicContact CZ-OE1 3.4Å; R392-E420 IonicContact NE-OE1 3.75Å; R392-E420 PolarHBondContact NE-OE1 2.91Å; R392-E420 VanDerWaalsContact NE-OE1 3.15Å; R392-E420 IonicContact NH2-OE1 2.72Å; R392-E420 PolarHBondContact NH2-OE1 3.16Å
393	I	96.3	Very high	96.9	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-123.9	157.1	159.9	59.3	165.9	0	0	0	110	G357 Q358 S364 A368 F395 G409 R410	G357-I393 WeakPolarHBondContact O-CG2 3.33Å; Q358-I393 HydrophobicContact CB-CG2 4.03Å; Q358-I393 HydrophobicContact CG-CG2 4.5Å; S364-I393 WeakPolarHBondContact O-CD1 3.33Å; A368-I393 HydrophobicContact CB-CB 4.38Å; A368-I393 HydrophobicContact CB-CG1 4.21Å; A368-I393 HydrophobicContact CB-CG2 3.74Å; I393-F395 PolarHBondContact O-N 2.91Å; I393-F395 VanDerWaalsContact O-N 3.17Å; I393-G409 WeakPolarHBondContact O-CA 3.19Å; I393-R410 HydrophobicContact CD1-CG 4.2Å; I393-R410 HydrophobicContact CG1-CG 3.74Å; I393-R410 WeakPolarHBondContact CG1-O 3.47Å; I393-R410 PolarHBondContact N-O 2.94Å; I393-R410 PolarHBondContact O-N 2.92Å
394	Q	95.8	Very high	97.1	Very high	22 Å²	22	37.5 Å²	37.5	10%	0.103	19%	0.185	C	C	.	.	S	Bend	trans	51.3	41.2	176.7	-63.5	168.8	-41.8	0	0	111.7	W440 G441 L489	Q394-W440 HydrophobicContact CB-CE3 4.31Å; Q394-G441 PolarHBondContact O-N 3.14Å; Q394-L489 HydrophobicContact CG-CD2 4.13Å
395	F	97.6	Very high	97.2	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	16%	0.159	C	C	.	.			trans	-105.2	-172.1	173.6	72.5	-76.3	0	0	0	108.6	C344 V355 M388 R392 I393 L397 A406 T407 G408	C344-F395 HydrophobicContact CB-CE1 4.29Å; C344-F395 HydrophobicContact CB-CE2 3.94Å; C344-F395 HydrophobicContact CB-CZ 3.76Å; C344-F395 PolarHBondContact SG-O 2.88Å; V355-F395 HydrophobicContact CB-CZ 4.29Å; V355-F395 HydrophobicContact CG1-CE2 4.27Å; V355-F395 HydrophobicContact CG1-CZ 3.95Å; V355-F395 VanDerWaalsContact O-CZ 3.25Å; V355-F395 WeakPolarHBondContact O-CZ 3.48Å; M388-F395 HydrophobicContact CE-CZ 4.26Å; M388-F395 HydrophobicContact SD-CE2 4.35Å; M388-F395 HydrophobicContact SD-CZ 4.46Å; R392-F395 HydrophobicContact CB-CB 4.11Å; R392-F395 HydrophobicContact CB-CD1 3.43Å; R392-F395 VanDerWaalsContact CB-CD1 3.43Å; R392-F395 HydrophobicContact CB-CD2 4.32Å; R392-F395 HydrophobicContact CB-CE1 3.84Å; R392-F395 HydrophobicContact CB-CG 3.71Å; R392-F395 HydrophobicContact CB-CZ 4.43Å; R392-F395 WeakPolarHBondContact O-CE1 3.47Å; I393-F395 PolarHBondContact O-N 2.91Å; I393-F395 VanDerWaalsContact O-N 3.17Å; F395-L397 HydrophobicContact CE2-CB 4.29Å; F395-A406 HydrophobicContact CD2-CB 4.08Å; F395-A406 HydrophobicContact CE2-CB 3.95Å; F395-T407 WeakPolarHBondContact CB-O 3.03Å; F395-G408 WeakPolarHBondContact CB-O 3.31Å
396	Q	97.3	Very high	97.3	Very high	45 Å²	45	30.3 Å²	30.3	21%	0.21	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139	174.4	-65.8	-65.5	-30	0	0	111.2	A406 T407 H442 I453	Q396-A406 WeakPolarHBondContact O-CA 3.31Å; Q396-T407 WeakPolarHBondContact CB-OG1 3.11Å; Q396-T407 PolarHBondContact N-O 2.89Å; Q396-T407 PolarHBondContact O-N 3.27Å; Q396-T407 PolarHBondContact O-OG1 2.78Å; Q396-H442 VanDerWaalsContact CG-CD2 3.41Å; Q396-H442 WeakPolarHBondContact CG-CD2 3.45Å; Q396-H442 WeakPolarHBondContact CG-O 3.39Å; Q396-H442 PolarHBondContact NE2-O 2.77Å; Q396-I453 HydrophobicContact CB-CD1 4.23Å
397	L	98.2	Very high	97.3	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124	176.7	-173	73.3	0	0	0	109.2	C344 A346 V355 F395 L404 Y405 A406 W429	C344-L397 HydrophobicContact CB-CB 3.35Å; C344-L397 HydrophobicContact CB-CD2 4.35Å; C344-L397 HydrophobicContact CB-CG 4.49Å; A346-L397 HydrophobicContact CB-CD2 3.61Å; A346-L397 HydrophobicContact CB-CG 3.84Å; V355-L397 HydrophobicContact CB-CD1 4.4Å; V355-L397 HydrophobicContact CB-CD2 3.91Å; V355-L397 HydrophobicContact CG2-CD1 4.28Å; V355-L397 HydrophobicContact CG2-CD2 3.68Å; F395-L397 HydrophobicContact CE2-CB 4.29Å; L397-L404 HydrophobicContact CD1-CB 4.1Å; L397-L404 HydrophobicContact CD1-CD2 4.43Å; L397-L404 HydrophobicContact CD2-CD2 4.25Å; L397-Y405 VanDerWaalsContact CA-O 3.31Å; L397-Y405 WeakPolarHBondContact CA-O 3.3Å; L397-A406 HydrophobicContact CD1-CB 4.24Å; L397-W429 HydrophobicContact CD1-CH2 4.01Å
398	N	97.8	Very high	97.2	Very high	16 Å²	16	24.5 Å²	24.5	9%	0.086	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144	-178.8	-73.5	-77.2	0	0	0	111.7	L404 Y405 T445 L451	N398-L404 WeakPolarHBondContact O-CA 3.48Å; N398-Y405 PolarHBondContact N-O 3.36Å; N398-Y405 PolarHBondContact O-N 3.26Å; N398-T445 WeakPolarHBondContact OD1-CA 3.33Å; N398-L451 HydrophobicContact CB-CD2 3.72Å
399	V	97.4	Very high	97.2	Very high	30 Å²	30	24.3 Å²	24.3	18%	0.182	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.8	172.9	177.7	0	0	0	0	109.7	A346 V347 L348 Q403 L404 S446	A346-V399 HydrophobicContact CB-CG2 3.78Å; V347-V399 WeakPolarHBondContact O-CG2 3.12Å; L348-V399 HydrophobicContact CB-CG2 4.31Å; L348-V399 HydrophobicContact CD1-CG1 3.96Å; V399-Q403 CarbonylContact C-O 3.53Å; V399-Q403 VanDerWaalsContact CA-O 3.32Å; V399-Q403 WeakPolarHBondContact CA-O 3.33Å; V399-L404 HydrophobicContact CG2-CD1 4.49Å; V399-L404 HydrophobicContact CG2-CG 4.19Å; V399-S446 VanDerWaalsContact O-CB 3.29Å; V399-S446 WeakPolarHBondContact O-CB 3.4Å; V399-S446 PolarHBondContact O-OG 2.69Å
400	L	96.6	Very high	97.1	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.037	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	126.1	174.7	-179.4	70.9	0	0	0	109.8	G402 Q403 Y405 E449 L451 Y470 P472	L400-G402 PolarHBondContact O-N 3.11Å; L400-Q403 PolarHBondContact N-O 3.23Å; L400-Q403 PolarHBondContact O-N 2.97Å; L400-Y405 HydrophobicContact CB-CD2 3.89Å; L400-Y405 HydrophobicContact CB-CE2 3.74Å; L400-Y405 HydrophobicContact CD2-CE2 4.12Å; L400-Y405 HydrophobicContact CG-CE2 4.35Å; L400-E449 WeakPolarHBondContact CD1-O 3.28Å; L400-L451 HydrophobicContact CB-CD2 3.9Å; L400-L451 HydrophobicContact CD2-CD1 4.42Å; L400-L451 HydrophobicContact CD2-CD2 4.09Å; L400-L451 HydrophobicContact CD2-CG 3.91Å; L400-L451 HydrophobicContact CG-CD2 4.42Å; L400-Y470 HydrophobicContact CD2-CD1 4.33Å; L400-Y470 HydrophobicContact CD2-CE1 4.45Å; L400-P472 HydrophobicContact CD2-CB 3.86Å; L400-P472 HydrophobicContact CD2-CG 3.57Å; L400-P472 HydrophobicContact CG-CG 4.33Å
401	Q	94	Very high	97.1	Very high	104 Å²	104	19.6 Å²	19.6	49%	0.486	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	43.2	179.1	-62.8	177.9	-15.4	0	0	113.2	Q403	Q401-Q403 VanDerWaalsContact C-N 3.26Å; Q401-Q403 PolarHBondContact O-N 2.68Å
402	G	94.8	Very high	96.9	Very high	26 Å²	26	27.3 Å²	27.3	27%	0.268	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	7.6	179	0	0	0	0	0	115.5	L348 L400	L348-G402 WeakPolarHBondContact CD2-O 3.34Å; L400-G402 PolarHBondContact O-N 3.11Å
403	Q	97.3	Very high	96.7	Very high	58 Å²	58	33.1 Å²	33.1	27%	0.271	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	158.8	178.6	-63.8	-176.4	84.1	0	0	111	V399 L400 Q401 Y405 C421 Y422	V399-Q403 CarbonylContact C-O 3.53Å; V399-Q403 VanDerWaalsContact CA-O 3.32Å; V399-Q403 WeakPolarHBondContact CA-O 3.33Å; L400-Q403 PolarHBondContact N-O 3.23Å; L400-Q403 PolarHBondContact O-N 2.97Å; Q401-Q403 VanDerWaalsContact C-N 3.26Å; Q401-Q403 PolarHBondContact O-N 2.68Å; Q403-Y405 HydrophobicContact CB-CE2 3.96Å; Q403-C421 PolarHBondContact OE1-SG 3.18Å; Q403-Y422 WeakPolarHBondContact CB-O 3.32Å
404	L	98.4	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.1	-179.6	-69.7	69.7	0	0	0	110.2	A346 L348 Y353 L397 N398 V399 C421 Y422 P424	A346-L404 HydrophobicContact CB-CD2 4.32Å; L348-L404 HydrophobicContact CD2-CD1 4.09Å; Y353-L404 VanDerWaalsContact CB-CD2 3.42Å; Y353-L404 HydrophobicContact CD1-CD2 3.62Å; Y353-L404 HydrophobicContact CD2-CD2 3.98Å; Y353-L404 HydrophobicContact CE1-CD2 4.35Å; Y353-L404 HydrophobicContact CG-CD2 3.4Å; L397-L404 HydrophobicContact CD1-CB 4.1Å; L397-L404 HydrophobicContact CD1-CD2 4.43Å; L397-L404 HydrophobicContact CD2-CD2 4.25Å; N398-L404 WeakPolarHBondContact O-CA 3.48Å; V399-L404 HydrophobicContact CG2-CD1 4.49Å; V399-L404 HydrophobicContact CG2-CG 4.19Å; L404-C421 CarbonylContact O-C 3.5Å; L404-C421 WeakPolarHBondContact O-CA 3.25Å; L404-Y422 HydrophobicContact CD1-CD1 4.2Å; L404-Y422 PolarHBondContact N-O 3.02Å; L404-Y422 PolarHBondContact O-N 2.93Å; L404-P424 HydrophobicContact CD1-CG 4.18Å
405	Y	98.6	Very high	96.6	Very high	9 Å²	9	35.2 Å²	35.2	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.8	-178.2	-70.8	-102.3	0	0	0	110.3	L397 N398 L400 Q403 V419 E420 C421 V432 L451 Y470	L397-Y405 VanDerWaalsContact CA-O 3.31Å; L397-Y405 WeakPolarHBondContact CA-O 3.3Å; N398-Y405 PolarHBondContact N-O 3.36Å; N398-Y405 PolarHBondContact O-N 3.26Å; L400-Y405 HydrophobicContact CB-CD2 3.89Å; L400-Y405 HydrophobicContact CB-CE2 3.74Å; L400-Y405 HydrophobicContact CD2-CE2 4.12Å; L400-Y405 HydrophobicContact CG-CE2 4.35Å; Q403-Y405 HydrophobicContact CB-CE2 3.96Å; Y405-V419 HydrophobicContact CD1-CG1 4.35Å; Y405-E420 CarbonylContact C-O 3.57Å; Y405-E420 WeakPolarHBondContact CA-O 3.28Å; Y405-C421 HydrophobicContact CD1-CB 4.03Å; Y405-C421 HydrophobicContact CE1-CB 3.81Å; Y405-V432 HydrophobicContact CD1-CG2 4.27Å; Y405-V432 HydrophobicContact CE1-CG1 4.42Å; Y405-V432 HydrophobicContact CE1-CG2 4.25Å; Y405-L451 HydrophobicContact CD1-CD1 4.04Å; Y405-L451 HydrophobicContact CD2-CD1 4.29Å; Y405-L451 HydrophobicContact CG-CD1 3.72Å; Y405-Y470 HydrophobicContact CD1-CE1 4.14Å; Y405-Y470 AromaticContact CE1-CE1 3.61Å; Y405-Y470 HydrophobicContact CE1-CE1 3.61Å
406	A	98.6	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.5	171.8	0	0	0	0	0	109.4	M388 F395 Q396 L397 V419 E420 W429	M388-A406 HydrophobicContact SD-CB 3.88Å; F395-A406 HydrophobicContact CD2-CB 4.08Å; F395-A406 HydrophobicContact CE2-CB 3.95Å; Q396-A406 WeakPolarHBondContact O-CA 3.31Å; L397-A406 HydrophobicContact CD1-CB 4.24Å; A406-V419 WeakPolarHBondContact O-CA 3.37Å; A406-E420 PolarHBondContact N-O 2.87Å; A406-E420 PolarHBondContact O-N 3.44Å; A406-W429 HydrophobicContact CB-CH2 4.12Å; A406-W429 HydrophobicContact CB-CZ3 3.78Å
407	T	98.2	Very high	96.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.5	-171.1	56.4	0	0	0	0	111.5	F395 Q396 V419 H442 L451 I453 W477	F395-T407 WeakPolarHBondContact CB-O 3.03Å; Q396-T407 WeakPolarHBondContact CB-OG1 3.11Å; Q396-T407 PolarHBondContact N-O 2.89Å; Q396-T407 PolarHBondContact O-N 3.27Å; Q396-T407 PolarHBondContact O-OG1 2.78Å; T407-V419 HydrophobicContact CG2-CG1 3.79Å; T407-V419 HydrophobicContact CG2-CG2 4.27Å; T407-H442 PolarHBondContact O-CE1 2.95Å; T407-H442 PolarHBondContact O-NE2 3.22Å; T407-H442 PolarHBondContact OG1-NE2 2.74Å; T407-L451 HydrophobicContact CG2-CD1 4.48Å; T407-I453 HydrophobicContact CG2-CD1 4.41Å; T407-I453 WeakPolarHBondContact OG1-CD1 3.2Å; T407-W477 HydrophobicContact CG2-CH2 4.07Å; T407-W477 HydrophobicContact CG2-CZ2 4.11Å
408	G	97.3	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.			trans	59.5	-143.4	171.6	0	0	0	0	0	114.3	R392 F395 S418	R392-G408 PolarHBondContact NH1-O 3.41Å; F395-G408 WeakPolarHBondContact CB-O 3.31Å; G408-S418 PolarHBondContact N-O 2.8Å
409	G	97.2	Very high	96.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.			trans	98.9	-165	-177.5	0	0	0	0	0	112.9	I393 L416 I439	I393-G409 WeakPolarHBondContact O-CA 3.19Å; G409-L416 WeakPolarHBondContact O-CB 3.29Å; G409-L416 PolarHBondContact O-N 3.04Å; G409-I439 PolarHBondContact N-O 2.77Å
410	R	96.3	Very high	96.7	Very high	36 Å²	36	32.7 Å²	32.7	14%	0.136	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	158.3	175.7	64.3	175.6	177.8	159.5	9.1	112.2	R363 I393 G414 W440	R363-R410 PolarHBondContact O-NH1 2.88Å; R363-R410 PolarHBondContact O-NH2 2.83Å; I393-R410 HydrophobicContact CD1-CG 4.2Å; I393-R410 HydrophobicContact CG1-CG 3.74Å; I393-R410 WeakPolarHBondContact CG1-O 3.47Å; I393-R410 PolarHBondContact N-O 2.94Å; I393-R410 PolarHBondContact O-N 2.92Å; R410-G414 VanDerWaalsContact CA-O 3.24Å; R410-G414 WeakPolarHBondContact CA-O 3.32Å; R410-G414 WeakPolarHBondContact CB-O 3.19Å; R410-W440 HydrophobicContact CB-CB 3.95Å; R410-W440 HydrophobicContact CB-CG 4.05Å; R410-W440 HydrophobicContact CG-CB 4.09Å; R410-W440 HydrophobicContact CG-CD2 4.23Å; R410-W440 HydrophobicContact CG-CE3 4.43Å; R410-W440 HydrophobicContact CG-CG 4.1Å
411	N	96.4	Very high	96.8	Very high	15 Å²	15	32.5 Å²	32.5	8%	0.08	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	-165.8	171.7	62.7	25.9	0	0	0	110.7	G365 A368 E390 S391 S413 G414	G365-N411 CarbonylContact O-C 3.13Å; G365-N411 WeakPolarHBondContact O-CA 3.23Å; A368-N411 HydrophobicContact CB-CB 3.99Å; E390-N411 PolarHBondContact OE2-ND2 3.35Å; S391-N411 VanDerWaalsContact O-CB 3.24Å; S391-N411 WeakPolarHBondContact O-CB 3.16Å; S391-N411 PolarHBondContact O-ND2 2.87Å; N411-S413 PolarHBondContact O-N 2.86Å; N411-S413 WeakPolarHBondContact OD1-CB 3.42Å; N411-S413 PolarHBondContact OD1-N 3.02Å; N411-G414 PolarHBondContact N-O 3.35Å; N411-G414 PolarHBondContact O-N 3.22Å; N411-G414 PolarHBondContact OD1-N 2.9Å
412	R	94	Very high	97	Very high	195 Å²	195	27.6 Å²	27.6	74%	0.736	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.8	179.6	-175.7	179.4	-64.3	-172.6	1	112.8	G365 E366 G414	G365-R412 PolarHBondContact O-N 3.47Å; E366-R412 HydrophobicContact CG-CG 4.34Å; R412-G414 VanDerWaalsContact C-N 3.31Å
413	S	93.6	Very high	97.1	Very high	121 Å²	121	27.6 Å²	27.6	85%	0.846	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.6	-179.9	-59.9	0	0	0	0	113.3	N411	N411-S413 PolarHBondContact O-N 2.86Å; N411-S413 WeakPolarHBondContact OD1-CB 3.42Å; N411-S413 PolarHBondContact OD1-N 3.02Å
414	G	94.4	Very high	97.1	Very high	29 Å²	29	24.9 Å²	24.9	30%	0.299	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	117.3	-153.4	177.6	0	0	0	0	0	113.4	R410 N411 R412	R410-G414 VanDerWaalsContact CA-O 3.24Å; R410-G414 WeakPolarHBondContact CA-O 3.32Å; R410-G414 WeakPolarHBondContact CB-O 3.19Å; N411-G414 PolarHBondContact N-O 3.35Å; N411-G414 PolarHBondContact O-N 3.22Å; N411-G414 PolarHBondContact OD1-N 2.9Å; R412-G414 VanDerWaalsContact C-N 3.31Å
415	S	95.9	Very high	97	Very high	40 Å²	40	28.7 Å²	28.7	28%	0.28	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	140.5	-176.3	-50	0	0	0	0	112.5	R438 W440	S415-R438 WeakPolarHBondContact O-CD 3.46Å; S415-R438 PolarHBondContact O-NH1 3.41Å; S415-W440 PolarHBondContact OG-NE1 3.48Å
416	L	97.1	Very high	97	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	18%	0.183	C	C	.	.			trans	-106.4	146.2	-173.8	-55.6	-179.2	0	0	0	111.1	E390 R392 G409 R438 I439	E390-L416 HydrophobicContact CB-CD1 4.41Å; E390-L416 WeakPolarHBondContact OE2-CD2 3.43Å; R392-L416 HydrophobicContact CG-CD1 3.92Å; G409-L416 WeakPolarHBondContact O-CB 3.29Å; G409-L416 PolarHBondContact O-N 3.04Å; L416-R438 VanDerWaalsContact O-CA 3.32Å; L416-R438 WeakPolarHBondContact O-CA 3.12Å; L416-I439 PolarHBondContact O-N 2.79Å
417	S	96.8	Very high	96.9	Very high	26 Å²	26	36.3 Å²	36.3	18%	0.182	19%	0.191	C	C	.	.			trans	-114.6	-12.4	168.1	46.4	0	0	0	0	111.5	P434 L435	S417-P434 CarbonylContact O-C 3.59Å; S417-P434 WeakPolarHBondContact O-CA 3.31Å; S417-P434 WeakPolarHBondContact O-CB 3.46Å; S417-L435 WeakPolarHBondContact CB-O 3.49Å; S417-L435 PolarHBondContact O-N 3.43Å
418	S	98.1	Very high	96.9	Very high	15 Å²	15	41.6 Å²	41.6	11%	0.105	22%	0.216	C	C	.	.			trans	-62.6	141.7	179.9	47	0	0	0	0	110.8	E390 R392 G408	E390-S418 VanDerWaalsContact OE1-CB 3.29Å; E390-S418 WeakPolarHBondContact OE1-CB 3.31Å; E390-S418 PolarHBondContact OE1-OG 2.95Å; R392-S418 PolarHBondContact NH1-O 2.98Å; R392-S418 PolarHBondContact NH1-OG 2.93Å; R392-S418 PolarHBondContact NH2-OG 3.04Å; G408-S418 PolarHBondContact N-O 2.8Å
419	V	98.5	Very high	97	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.6	171.9	-176.8	0	0	0	0	107.1	Y405 A406 T407 Y431 V432 L435 W477	Y405-V419 HydrophobicContact CD1-CG1 4.35Å; A406-V419 WeakPolarHBondContact O-CA 3.37Å; T407-V419 HydrophobicContact CG2-CG1 3.79Å; T407-V419 HydrophobicContact CG2-CG2 4.27Å; V419-Y431 WeakPolarHBondContact O-CA 3.31Å; V419-V432 HydrophobicContact CB-CG2 3.71Å; V419-V432 HydrophobicContact CG1-CG2 3.43Å; V419-V432 VanDerWaalsContact CG1-CG2 3.43Å; V419-V432 PolarHBondContact O-N 3.22Å; V419-V432 VanDerWaalsContact O-N 3.1Å; V419-L435 HydrophobicContact CG2-CD1 4.5Å; V419-L435 HydrophobicContact CG2-CG 3.88Å; V419-W477 HydrophobicContact CG2-CZ2 3.93Å
420	E	98.6	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.7	178.6	-63.5	177.1	-121.1	0	0	109.9	Q389 E390 R392 Y405 A406 W429 S430 Y431	Q389-E420 WeakPolarHBondContact CB-OE2 3.47Å; Q389-E420 PolarHBondContact N-OE2 3.49Å; E390-E420 PolarHBondContact N-OE1 2.85Å; E390-E420 VanDerWaalsContact N-OE1 3.17Å; R392-E420 IonicContact CZ-OE1 3.4Å; R392-E420 IonicContact NE-OE1 3.75Å; R392-E420 PolarHBondContact NE-OE1 2.91Å; R392-E420 VanDerWaalsContact NE-OE1 3.15Å; R392-E420 IonicContact NH2-OE1 2.72Å; R392-E420 PolarHBondContact NH2-OE1 3.16Å; Y405-E420 CarbonylContact C-O 3.57Å; Y405-E420 WeakPolarHBondContact CA-O 3.28Å; A406-E420 PolarHBondContact N-O 2.87Å; A406-E420 PolarHBondContact O-N 3.44Å; E420-W429 HydrophobicContact CB-CE3 3.61Å; E420-W429 HydrophobicContact CB-CZ3 4.14Å; E420-S430 CarbonylContact C-O 3.57Å; E420-S430 WeakPolarHBondContact CA-O 3.47Å; E420-Y431 HydrophobicContact CG-CD1 3.71Å; E420-Y431 HydrophobicContact CG-CE1 3.63Å
421	C	98.4	Very high	97.2	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.2	175.3	-177.2	0	0	0	0	109.6	Q403 L404 Y405 W429 S430 V432	Q403-C421 PolarHBondContact OE1-SG 3.18Å; L404-C421 CarbonylContact O-C 3.5Å; L404-C421 WeakPolarHBondContact O-CA 3.25Å; Y405-C421 HydrophobicContact CD1-CB 4.03Å; Y405-C421 HydrophobicContact CE1-CB 3.81Å; C421-W429 WeakPolarHBondContact O-CA 3.37Å; C421-S430 PolarHBondContact N-O 3.18Å; C421-S430 PolarHBondContact O-N 2.84Å; C421-S430 PolarHBondContact O-OG 2.94Å; C421-V432 HydrophobicContact CB-CG1 3.64Å
422	Y	98.7	Very high	97.3	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.3	173.4	178.9	-110.4	0	0	0	110.5	Y353 I385 Q386 Q403 L404 P424 N427 E428 W429	Y353-Y422 AromaticContact CE1-CE1 3.99Å; Y353-Y422 HydrophobicContact CE1-CE1 3.99Å; I385-Y422 HydrophobicContact CD1-CE1 3.91Å; I385-Y422 HydrophobicContact CD1-CE2 4.3Å; Q386-Y422 HydrophobicContact CB-CE2 4.34Å; Q403-Y422 WeakPolarHBondContact CB-O 3.32Å; L404-Y422 HydrophobicContact CD1-CD1 4.2Å; L404-Y422 PolarHBondContact N-O 3.02Å; L404-Y422 PolarHBondContact O-N 2.93Å; Y422-P424 HydrophobicContact CD1-CB 4.48Å; Y422-P424 HydrophobicContact CD1-CG 4Å; Y422-P424 VanDerWaalsContact CE1-CA 3.49Å; Y422-P424 HydrophobicContact CE1-CB 3.88Å; Y422-P424 HydrophobicContact CE1-CG 3.88Å; Y422-P424 WeakPolarHBondContact O-CD 3.46Å; Y422-N427 PolarHBondContact OH-OD1 2.76Å; Y422-E428 WeakPolarHBondContact CA-O 3.23Å; Y422-E428 WeakPolarHBondContact CD2-O 3.36Å; Y422-W429 AromaticContact CD2-CD1 3.76Å; Y422-W429 HydrophobicContact CD2-CD2 4.01Å; Y422-W429 AromaticContact CD2-CE2 3.72Å; Y422-W429 HydrophobicContact CD2-CG 4.06Å; Y422-W429 HydrophobicContact CD2-CZ2 4.29Å; Y422-W429 AromaticContact CD2-NE1 3.54Å; Y422-W429 HydrophobicContact CG-CD2 4.22Å; Y422-W429 AromaticContact CG-CE2 3.93Å; Y422-W429 HydrophobicContact CG-CH2 4.49Å; Y422-W429 HydrophobicContact CG-CZ2 4.09Å
423	C	97.8	Very high	97.5	Very high	26 Å²	26	44.1 Å²	44.1	18%	0.176	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107.1	171.5	180	0	0	0	0	109.1	K425 K426 N427 E428	C423-K425 VanDerWaalsContact C-N 3.28Å; C423-K425 PolarHBondContact O-N 2.82Å; C423-K426 HydrophobicContact CB-CB 4.33Å; C423-K426 PolarHBondContact O-N 2.9Å; C423-N427 PolarHBondContact O-N 2.78Å; C423-E428 PolarHBondContact N-O 2.8Å
424	P	97.4	Very high	97.7	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-39.1	-176.2	-22	32.3	0	0	0	112.4	F281 L348 L404 Y422 K426 N427	F281-P424 WeakPolarHBondContact CB-O 3.46Å; F281-P424 CarbonylContact O-C 3.57Å; F281-P424 VanDerWaalsContact O-O 3.12Å; L348-P424 HydrophobicContact CD2-CG 4.01Å; L404-P424 HydrophobicContact CD1-CG 4.18Å; Y422-P424 HydrophobicContact CD1-CB 4.48Å; Y422-P424 HydrophobicContact CD1-CG 4Å; Y422-P424 VanDerWaalsContact CE1-CA 3.49Å; Y422-P424 HydrophobicContact CE1-CB 3.88Å; Y422-P424 HydrophobicContact CE1-CG 3.88Å; Y422-P424 WeakPolarHBondContact O-CD 3.46Å; P424-K426 VanDerWaalsContact C-N 3.27Å; P424-K426 PolarHBondContact O-N 2.86Å; P424-N427 PolarHBondContact O-N 3.41Å; P424-N427 VanDerWaalsContact O-N 3.11Å
425	K	96.3	Very high	97.7	Very high	80 Å²	80	40 Å²	40	35%	0.348	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-38.9	179.4	-176.1	-169.8	-160.3	122.4	0	113.5	F281 R282 H284 E285 C423	F281-K425 WeakPolarHBondContact O-CA 3.18Å; F281-K425 PolarHBondContact O-N 3.06Å; R282-K425 HydrophobicContact CG-CG 4.05Å; H284-K425 PolarHBondContact CE1-N 3.35Å; E285-K425 WeakPolarHBondContact OE1-CD 3.35Å; E285-K425 IonicContact OE1-NZ 3.54Å; E285-K425 PolarHBondContact OE1-NZ 2.82Å; E285-K425 WeakPolarHBondContact OE2-CE 3.43Å; E285-K425 IonicContact OE2-NZ 3.49Å; E285-K425 PolarHBondContact OE2-NZ 2.93Å; C423-K425 VanDerWaalsContact C-N 3.28Å; C423-K425 PolarHBondContact O-N 2.82Å
426	K	97.1	Very high	97.5	Very high	138 Å²	138	42.9 Å²	42.9	60%	0.6	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-17.3	-178.3	-65.8	-178	-179	178.6	0	112.4	C423 P424 E428	C423-K426 HydrophobicContact CB-CB 4.33Å; C423-K426 PolarHBondContact O-N 2.9Å; P424-K426 VanDerWaalsContact C-N 3.27Å; P424-K426 PolarHBondContact O-N 2.86Å; K426-E428 VanDerWaalsContact C-N 3.31Å; K426-E428 HydrophobicContact CB-CB 4.07Å; K426-E428 HydrophobicContact CB-CG 4.14Å
427	N	97.9	Very high	97.1	Very high	31 Å²	31	47.2 Å²	47.2	17%	0.166	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	50.2	-168.2	-175.3	44.9	0	0	0	110.9	F281 I385 Q386 Y422 C423 P424	F281-N427 HydrophobicContact CD1-CB 3.81Å; F281-N427 HydrophobicContact CD2-CB 4.45Å; F281-N427 HydrophobicContact CE1-CB 3.93Å; F281-N427 HydrophobicContact CG-CB 4.09Å; F281-N427 HydrophobicContact CZ-CB 4.31Å; I385-N427 WeakPolarHBondContact CB-OD1 3.31Å; Q386-N427 WeakPolarHBondContact CB-O 3.4Å; Q386-N427 WeakPolarHBondContact CB-OD1 3.44Å; Q386-N427 WeakPolarHBondContact CG-O 3.37Å; Q386-N427 PolarHBondContact N-OD1 2.8Å; Y422-N427 PolarHBondContact OH-OD1 2.76Å; C423-N427 PolarHBondContact O-N 2.78Å; P424-N427 PolarHBondContact O-N 3.41Å; P424-N427 VanDerWaalsContact O-N 3.11Å
428	E	98.3	Very high	96.9	Very high	110 Å²	110	52.8 Å²	52.8	51%	0.514	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.9	-175.1	-74.7	174.3	174.8	0	0	110.9	Y422 C423 K426	Y422-E428 WeakPolarHBondContact CA-O 3.23Å; Y422-E428 WeakPolarHBondContact CD2-O 3.36Å; C423-E428 PolarHBondContact N-O 2.8Å; K426-E428 VanDerWaalsContact C-N 3.31Å; K426-E428 HydrophobicContact CB-CB 4.07Å; K426-E428 HydrophobicContact CB-CG 4.14Å
429	W	98.7	Very high	96.8	Very high	15 Å²	15	52.2 Å²	52.2	6%	0.057	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	136.8	168.5	-69.5	91.9	0	0	0	110	V355 Q386 M388 Q389 L397 A406 E420 C421 Y422	V355-W429 HydrophobicContact CG1-CH2 4.21Å; V355-W429 HydrophobicContact CG1-CZ2 4.07Å; V355-W429 HydrophobicContact CG2-CZ2 4.24Å; Q386-W429 PolarHBondContact O-NE1 3.26Å; M388-W429 HydrophobicContact CG-CD2 4.03Å; M388-W429 HydrophobicContact CG-CE3 4.37Å; M388-W429 HydrophobicContact CG-CH2 4.1Å; M388-W429 HydrophobicContact CG-CZ2 3.74Å; M388-W429 HydrophobicContact CG-CZ3 4.4Å; M388-W429 HydrophobicContact SD-CH2 4.49Å; Q389-W429 HydrophobicContact CG-CB 4.33Å; Q389-W429 PolarHBondContact NE2-O 2.79Å; L397-W429 HydrophobicContact CD1-CH2 4.01Å; A406-W429 HydrophobicContact CB-CH2 4.12Å; A406-W429 HydrophobicContact CB-CZ3 3.78Å; E420-W429 HydrophobicContact CB-CE3 3.61Å; E420-W429 HydrophobicContact CB-CZ3 4.14Å; C421-W429 WeakPolarHBondContact O-CA 3.37Å; Y422-W429 AromaticContact CD2-CD1 3.76Å; Y422-W429 HydrophobicContact CD2-CD2 4.01Å; Y422-W429 AromaticContact CD2-CE2 3.72Å; Y422-W429 HydrophobicContact CD2-CG 4.06Å; Y422-W429 HydrophobicContact CD2-CZ2 4.29Å; Y422-W429 AromaticContact CD2-NE1 3.54Å; Y422-W429 HydrophobicContact CG-CD2 4.22Å; Y422-W429 AromaticContact CG-CE2 3.93Å; Y422-W429 HydrophobicContact CG-CH2 4.49Å; Y422-W429 HydrophobicContact CG-CZ2 4.09Å
430	S	98.3	Very high	96.7	Very high	58 Å²	58	54 Å²	54	41%	0.406	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147	176.2	55.8	0	0	0	0	110.4	E420 C421	E420-S430 CarbonylContact C-O 3.57Å; E420-S430 WeakPolarHBondContact CA-O 3.47Å; C421-S430 PolarHBondContact N-O 3.18Å; C421-S430 PolarHBondContact O-N 2.84Å; C421-S430 PolarHBondContact O-OG 2.94Å
431	Y	98.5	Very high	96.6	Very high	112 Å²	112	54.1 Å²	54.1	44%	0.439	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	140.1	173.1	-66.9	-68.2	0	0	0	110.6	Q389 V419 E420	Q389-Y431 HydrophobicContact CB-CE1 4.5Å; Q389-Y431 HydrophobicContact CB-CE2 4.27Å; Q389-Y431 WeakPolarHBondContact CB-OH 3.07Å; Q389-Y431 HydrophobicContact CG-CE2 4.49Å; V419-Y431 WeakPolarHBondContact O-CA 3.31Å; E420-Y431 HydrophobicContact CG-CD1 3.71Å; E420-Y431 HydrophobicContact CG-CE1 3.63Å
432	V	98.1	Very high	96.5	Very high	27 Å²	27	54.1 Å²	54.1	16%	0.164	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-175	169.4	-60.1	0	0	0	0	109.1	Y405 V419 C421 P434	Y405-V432 HydrophobicContact CD1-CG2 4.27Å; Y405-V432 HydrophobicContact CE1-CG1 4.42Å; Y405-V432 HydrophobicContact CE1-CG2 4.25Å; V419-V432 HydrophobicContact CB-CG2 3.71Å; V419-V432 HydrophobicContact CG1-CG2 3.43Å; V419-V432 VanDerWaalsContact CG1-CG2 3.43Å; V419-V432 PolarHBondContact O-N 3.22Å; V419-V432 VanDerWaalsContact O-N 3.1Å; C421-V432 HydrophobicContact CB-CG1 3.64Å; V432-P434 VanDerWaalsContact O-N 3.14Å
433	E	98.2	Very high	96.4	Very high	87 Å²	87	54 Å²	54	41%	0.407	25%	0.249	S	C	.	.	S	Bend	trans	-52.7	122.4	-177.8	-176.2	64.5	-165.2	0	0	111.3	Y470 D475 W477	E433-Y470 HydrophobicContact CB-CE2 4.39Å; E433-D475 VanDerWaalsContact CB-O 3.24Å; E433-D475 WeakPolarHBondContact CB-O 3.39Å; E433-D475 WeakPolarHBondContact CB-OD1 3.41Å; E433-D475 WeakPolarHBondContact CG-O 3.38Å; E433-D475 PolarHBondContact N-OD1 2.79Å; E433-W477 PolarHBondContact O-NE1 3Å
434	P	98	Very high	96.4	Very high	56 Å²	56	53 Å²	53	36%	0.364	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-69.2	156.9	-179.3	28.9	-35.3	0	0	0	111.3	S417 V432	S417-P434 CarbonylContact O-C 3.59Å; S417-P434 WeakPolarHBondContact O-CA 3.31Å; S417-P434 WeakPolarHBondContact O-CB 3.46Å; V432-P434 VanDerWaalsContact O-N 3.14Å
435	L	95.9	Very high	96.4	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.042	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-59.2	140.9	169.6	-66.7	166.7	0	0	0	110	S417 V419 R437 I439 W477	S417-L435 WeakPolarHBondContact CB-O 3.49Å; S417-L435 PolarHBondContact O-N 3.43Å; V419-L435 HydrophobicContact CG2-CD1 4.5Å; V419-L435 HydrophobicContact CG2-CG 3.88Å; L435-R437 WeakPolarHBondContact CB-O 3.09Å; L435-R437 PolarHBondContact O-N 2.79Å; L435-I439 HydrophobicContact CD1-CG2 3.57Å; L435-W477 HydrophobicContact CD2-CD2 3.76Å; L435-W477 HydrophobicContact CD2-CE3 3.85Å; L435-W477 HydrophobicContact CD2-CH2 3.62Å; L435-W477 HydrophobicContact CD2-CZ2 3.55Å; L435-W477 HydrophobicContact CD2-CZ3 3.76Å; L435-W477 HydrophobicContact CG-CZ2 4.36Å
436	K	90.5	Very high	96.4	Very high	101 Å²	101	51.3 Å²	51.3	44%	0.439	24%	0.24	S	C	.	.	S	Bend	trans	-58.9	-19.7	177	-67.5	-176.2	177.2	168.9	0	113.4	W477 D478 F479	K436-W477 WeakPolarHBondContact CE-O 3.25Å; K436-W477 PolarHBondContact NZ-O 3.38Å; K436-D478 IonicContact NZ-OD1 3.86Å; K436-F479 HydrophobicContact CB-CZ 4.2Å; K436-F479 HydrophobicContact CD-CD2 4.14Å; K436-F479 HydrophobicContact CD-CE2 3.47Å; K436-F479 VanDerWaalsContact CD-CE2 3.47Å; K436-F479 HydrophobicContact CD-CZ 3.96Å
437	R	88.7	Confident	96.3	Very high	96 Å²	96	45.1 Å²	45.1	36%	0.362	21%	0.214	S	C	.	.	S	Bend	trans	-138.2	147.7	178	-62.3	-174.8	-178.9	-178.1	2.8	109.9	L435 D463	L435-R437 WeakPolarHBondContact CB-O 3.09Å; L435-R437 PolarHBondContact O-N 2.79Å; R437-D463 WeakPolarHBondContact CD-OD1 3.34Å; R437-D463 IonicContact CZ-OD1 2.65Å; R437-D463 IonicContact NE-OD1 2.76Å; R437-D463 IonicContact NH1-OD1 3.78Å; R437-D463 PolarHBondContact NH1-OD1 2.6Å; R437-D463 IonicContact NH1-OD2 3.17Å
438	R	93.6	Very high	96.1	Very high	143 Å²	143	48.4 Å²	48.4	54%	0.54	22%	0.224	S	C	.	.			trans	-71.1	128.6	169.6	-64.9	171.7	-175.9	-84.2	-4.7	108.4	S415 L416 G458	S415-R438 WeakPolarHBondContact O-CD 3.46Å; S415-R438 PolarHBondContact O-NH1 3.41Å; L416-R438 VanDerWaalsContact O-CA 3.32Å; L416-R438 WeakPolarHBondContact O-CA 3.12Å; R438-G458 WeakPolarHBondContact O-CA 3.47Å
439	I	95.7	Very high	95.9	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	23%	0.231	C	C	.	.			trans	-148.1	145.4	-171.2	-159.1	165.6	0	0	0	111.8	G409 L416 L435 H442 G455 Y457	G409-I439 PolarHBondContact N-O 2.77Å; L416-I439 PolarHBondContact O-N 2.79Å; L435-I439 HydrophobicContact CD1-CG2 3.57Å; I439-H442 HydrophobicContact CD1-CB 4.21Å; I439-H442 HydrophobicContact CG1-CB 4.23Å; I439-G455 WeakPolarHBondContact CD1-O 3.28Å; I439-Y457 WeakPolarHBondContact CA-O 3.47Å
440	W	96.1	Very high	95.8	Very high	39 Å²	39	52.2 Å²	52.2	15%	0.148	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-147.9	156.1	173.8	65.8	-80.9	0	0	0	111.6	Q394 R410 S415 H442 G456 Y457	Q394-W440 HydrophobicContact CB-CE3 4.31Å; R410-W440 HydrophobicContact CB-CB 3.95Å; R410-W440 HydrophobicContact CB-CG 4.05Å; R410-W440 HydrophobicContact CG-CB 4.09Å; R410-W440 HydrophobicContact CG-CD2 4.23Å; R410-W440 HydrophobicContact CG-CE3 4.43Å; R410-W440 HydrophobicContact CG-CG 4.1Å; S415-W440 PolarHBondContact OG-NE1 3.48Å; W440-H442 PolarHBondContact O-N 3.1Å; W440-G456 CarbonylContact O-C 3.54Å; W440-G456 WeakPolarHBondContact O-CA 3.41Å; W440-Y457 AromaticContact CD2-CD2 3.78Å; W440-Y457 HydrophobicContact CD2-CD2 3.78Å; W440-Y457 HydrophobicContact CD2-CG 4.28Å; W440-Y457 VanDerWaalsContact CE2-CB 3.43Å; W440-Y457 AromaticContact CE2-CD2 3.45Å; W440-Y457 VanDerWaalsContact CE2-CD2 3.45Å; W440-Y457 AromaticContact CE2-CG 3.67Å; W440-Y457 AromaticContact CE3-CD2 3.75Å; W440-Y457 HydrophobicContact CE3-CD2 3.75Å; W440-Y457 HydrophobicContact CE3-CE2 4.45Å; W440-Y457 AromaticContact CH2-CD2 3.15Å; W440-Y457 HydrophobicContact CH2-CD2 3.15Å; W440-Y457 AromaticContact CH2-CE2 3.35Å; W440-Y457 HydrophobicContact CH2-CE2 3.35Å; W440-Y457 HydrophobicContact CH2-CG 4.03Å; W440-Y457 HydrophobicContact CZ2-CD1 4.39Å; W440-Y457 AromaticContact CZ2-CD2 3.16Å; W440-Y457 HydrophobicContact CZ2-CD2 3.16Å; W440-Y457 AromaticContact CZ2-CE2 3.76Å; W440-Y457 HydrophobicContact CZ2-CE2 3.76Å; W440-Y457 AromaticContact CZ2-CG 3.55Å; W440-Y457 HydrophobicContact CZ2-CG 3.55Å; W440-Y457 AromaticContact CZ3-CD2 3.45Å; W440-Y457 HydrophobicContact CZ3-CD2 3.45Å; W440-Y457 VanDerWaalsContact CZ3-CD2 3.45Å; W440-Y457 AromaticContact CZ3-CE2 3.74Å; W440-Y457 HydrophobicContact CZ3-CE2 3.74Å; W440-Y457 PolarHBondContact N-O 2.83Å; W440-Y457 VanDerWaalsContact NE1-CB 3.26Å; W440-Y457 AromaticContact NE1-CG 3.99Å; W440-Y457 PolarHBondContact O-N 3.14Å
441	G	95.5	Very high	95.8	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.021	22%	0.222	C	C	.	.	S	Bend	trans	65.7	18.5	-172.4	0	0	0	0	0	112.8	Q394 L489	Q394-G441 PolarHBondContact O-N 3.14Å; G441-L489 PolarHBondContact O-N 2.87Å
442	H	97.1	Very high	95.7	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.009	20%	0.203	C	C	.	.			trans	-73.6	163.8	167.2	60.2	-80.2	0	0	0	110.3	Q396 T407 I439 W440 I453 S454 G455	Q396-H442 VanDerWaalsContact CG-CD2 3.41Å; Q396-H442 WeakPolarHBondContact CG-CD2 3.45Å; Q396-H442 WeakPolarHBondContact CG-O 3.39Å; Q396-H442 PolarHBondContact NE2-O 2.77Å; T407-H442 PolarHBondContact O-CE1 2.95Å; T407-H442 PolarHBondContact O-NE2 3.22Å; T407-H442 PolarHBondContact OG1-NE2 2.74Å; I439-H442 HydrophobicContact CD1-CB 4.21Å; I439-H442 HydrophobicContact CG1-CB 4.23Å; W440-H442 PolarHBondContact O-N 3.1Å; H442-I453 HydrophobicContact CB-CG2 3.86Å; H442-I453 WeakPolarHBondContact CD2-CG2 3.46Å; H442-S454 WeakPolarHBondContact CA-O 3.47Å; H442-S454 WeakPolarHBondContact CB-O 3.43Å; H442-G455 WeakPolarHBondContact CB-O 3.01Å
443	A	97.6	Very high	95.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	156.4	171.3	0	0	0	0	0	110.1	I453 S454 H490 M492	A443-I453 CarbonylContact O-C 3.46Å; A443-I453 VanDerWaalsContact O-CA 3.31Å; A443-I453 WeakPolarHBondContact O-CA 3.48Å; A443-S454 PolarHBondContact N-O 2.84Å; A443-S454 PolarHBondContact O-N 2.95Å; A443-H490 WeakPolarHBondContact CB-NE2 3.38Å; A443-H490 WeakPolarHBondContact CB-O 3.39Å; A443-M492 HydrophobicContact CB-CB 3.75Å; A443-M492 HydrophobicContact CB-CG 3.51Å; A443-M492 HydrophobicContact CB-SD 3.76Å
444	G	96.6	Very high	95.7	Very high	4 Å²	4	39.1 Å²	39.1	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	149.3	-175.3	0	0	0	0	0	113.8	Y452 I453	G444-Y452 CarbonylContact C-O 3.6Å; G444-Y452 WeakPolarHBondContact CA-O 3.47Å; G444-I453 VanDerWaalsContact CA-CD1 3.45Å
445	T	97.4	Very high	95.6	Very high	10 Å²	10	36.4 Å²	36.4	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	157.6	172.9	-160.8	0	0	0	0	111.1	N398 Y452 M492 S494 V499	N398-T445 WeakPolarHBondContact OD1-CA 3.33Å; T445-Y452 PolarHBondContact N-O 2.81Å; T445-Y452 PolarHBondContact O-N 2.79Å; T445-M492 HydrophobicContact CG2-CE 4.42Å; T445-S494 PolarHBondContact OG1-N 2.75Å; T445-S494 VanDerWaalsContact OG1-N 3.15Å; T445-V499 HydrophobicContact CG2-CB 4.22Å; T445-V499 HydrophobicContact CG2-CG1 3.53Å; T445-V499 HydrophobicContact CG2-CG2 3.79Å
446	S	96.2	Very high	95.5	Very high	36 Å²	36	36 Å²	36	25%	0.252	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.5	168.8	58.1	0	0	0	0	110.9	V399 K450 S494	V399-S446 VanDerWaalsContact O-CB 3.29Å; V399-S446 WeakPolarHBondContact O-CB 3.4Å; V399-S446 PolarHBondContact O-OG 2.69Å; S446-K450 CarbonylContact C-O 3.22Å; S446-K450 VanDerWaalsContact CA-O 3.3Å; S446-K450 WeakPolarHBondContact CA-O 3.45Å; S446-S494 WeakPolarHBondContact O-CB 3.31Å; S446-S494 PolarHBondContact O-OG 2.83Å
447	C	96.1	Very high	95.6	Very high	8 Å²	8	33 Å²	33	5%	0.054	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	132.8	177.3	-174.2	0	0	0	0	109.5	E449 K450 Y452 V499	C447-E449 VanDerWaalsContact C-N 3.34Å; C447-E449 PolarHBondContact O-N 2.85Å; C447-K450 PolarHBondContact N-O 2.92Å; C447-K450 PolarHBondContact O-N 3.42Å; C447-Y452 HydrophobicContact CB-CD2 3.91Å; C447-Y452 HydrophobicContact CB-CE2 3.9Å; C447-Y452 WeakPolarHBondContact O-CE2 3.32Å; C447-V499 HydrophobicContact CB-CG2 3.63Å
448	R	92.4	Very high	95.5	Very high	99 Å²	99	29.9 Å²	29.9	37%	0.374	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	51	179.6	-58.9	177.7	179.5	-138.6	-3.1	113.4	K450 E524	R448-K450 PolarHBondContact O-N 3.06Å; R448-K450 VanDerWaalsContact O-N 3.15Å; R448-E524 VanDerWaalsContact CZ-CG 3.41Å; R448-E524 IonicContact CZ-OE1 3.63Å; R448-E524 VanDerWaalsContact NH1-CD 3.32Å; R448-E524 IonicContact NH1-OE1 3.57Å; R448-E524 PolarHBondContact NH1-OE1 2.78Å; R448-E524 VanDerWaalsContact NH2-CG 3.3Å; R448-E524 IonicContact NH2-OE1 2.8Å; R448-E524 PolarHBondContact NH2-OE1 3.42Å; R448-E524 IonicContact NH2-OE2 3.88Å
449	E	93.8	Very high	95	Very high	140 Å²	140	29.4 Å²	29.4	65%	0.654	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	22.9	179.6	-51.1	-172.9	144.4	0	0	115.1	L400 C447	L400-E449 WeakPolarHBondContact CD1-O 3.28Å; C447-E449 VanDerWaalsContact C-N 3.34Å; C447-E449 PolarHBondContact O-N 2.85Å
450	K	97.1	Very high	94.4	Very high	65 Å²	65	31.8 Å²	31.8	28%	0.283	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	159.2	174.8	-63.6	-168.9	-179.2	-156.2	0	110.7	S446 C447 R448 Y452 Y470 D471	S446-K450 CarbonylContact C-O 3.22Å; S446-K450 VanDerWaalsContact CA-O 3.3Å; S446-K450 WeakPolarHBondContact CA-O 3.45Å; C447-K450 PolarHBondContact N-O 2.92Å; C447-K450 PolarHBondContact O-N 3.42Å; R448-K450 PolarHBondContact O-N 3.06Å; R448-K450 VanDerWaalsContact O-N 3.15Å; K450-Y452 HydrophobicContact CB-CE2 3.9Å; K450-Y470 WeakPolarHBondContact CA-O 3.36Å; K450-Y470 VanDerWaalsContact CB-O 3.29Å; K450-Y470 WeakPolarHBondContact CB-O 3.47Å; K450-D471 HydrophobicContact CD-CB 4.47Å; K450-D471 WeakPolarHBondContact CE-OD2 3.47Å; K450-D471 IonicContact NZ-OD2 2.63Å; K450-D471 PolarHBondContact NZ-OD2 3.16Å
451	L	97.9	Very high	93.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140.1	170.3	-51.3	174.9	0	0	0	109.8	N398 L400 Y405 T407 C469 Y470 W477	N398-L451 HydrophobicContact CB-CD2 3.72Å; L400-L451 HydrophobicContact CB-CD2 3.9Å; L400-L451 HydrophobicContact CD2-CD1 4.42Å; L400-L451 HydrophobicContact CD2-CD2 4.09Å; L400-L451 HydrophobicContact CD2-CG 3.91Å; L400-L451 HydrophobicContact CG-CD2 4.42Å; Y405-L451 HydrophobicContact CD1-CD1 4.04Å; Y405-L451 HydrophobicContact CD2-CD1 4.29Å; Y405-L451 HydrophobicContact CG-CD1 3.72Å; T407-L451 HydrophobicContact CG2-CD1 4.48Å; L451-C469 CarbonylContact O-C 3.53Å; L451-C469 VanDerWaalsContact O-CA 3.25Å; L451-C469 WeakPolarHBondContact O-CA 3.2Å; L451-Y470 HydrophobicContact CD1-CD1 3.83Å; L451-Y470 HydrophobicContact CG-CD1 4.1Å; L451-Y470 PolarHBondContact N-O 3.48Å; L451-Y470 VanDerWaalsContact N-O 3.16Å; L451-Y470 PolarHBondContact O-N 3.3Å; L451-W477 HydrophobicContact CB-CH2 4.48Å
452	Y	98.1	Very high	93.1	Very high	9 Å²	9	41.7 Å²	41.7	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.9	174.4	-68.9	-89.9	0	0	0	109.1	G444 T445 C447 K450 L467 H468 C469 K480 V499 Y521	G444-Y452 CarbonylContact C-O 3.6Å; G444-Y452 WeakPolarHBondContact CA-O 3.47Å; T445-Y452 PolarHBondContact N-O 2.81Å; T445-Y452 PolarHBondContact O-N 2.79Å; C447-Y452 HydrophobicContact CB-CD2 3.91Å; C447-Y452 HydrophobicContact CB-CE2 3.9Å; C447-Y452 WeakPolarHBondContact O-CE2 3.32Å; K450-Y452 HydrophobicContact CB-CE2 3.9Å; Y452-L467 HydrophobicContact CD1-CD1 4.23Å; Y452-L467 HydrophobicContact CD1-CD2 4.27Å; Y452-L467 HydrophobicContact CD1-CG 4.37Å; Y452-H468 CarbonylContact C-O 3.53Å; Y452-H468 VanDerWaalsContact CA-O 3.31Å; Y452-H468 WeakPolarHBondContact CA-O 3.34Å; Y452-C469 HydrophobicContact CD1-CB 4.12Å; Y452-C469 HydrophobicContact CE1-CB 3.87Å; Y452-K480 HydrophobicContact CE1-CG 4.5Å; Y452-V499 HydrophobicContact CD2-CG2 4.37Å; Y452-Y521 HydrophobicContact CD1-CD1 4.43Å; Y452-Y521 HydrophobicContact CD1-CE1 4.04Å; Y452-Y521 HydrophobicContact CE1-CD1 4.39Å; Y452-Y521 AromaticContact CE1-CE1 3.63Å; Y452-Y521 HydrophobicContact CE1-CE1 3.63Å
453	I	97.6	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.5	178.2	-60.4	-56.3	0	0	0	109.1	Q396 T407 H442 A443 G444 L467 H468 W477	Q396-I453 HydrophobicContact CB-CD1 4.23Å; T407-I453 HydrophobicContact CG2-CD1 4.41Å; T407-I453 WeakPolarHBondContact OG1-CD1 3.2Å; H442-I453 HydrophobicContact CB-CG2 3.86Å; H442-I453 WeakPolarHBondContact CD2-CG2 3.46Å; A443-I453 CarbonylContact O-C 3.46Å; A443-I453 VanDerWaalsContact O-CA 3.31Å; A443-I453 WeakPolarHBondContact O-CA 3.48Å; G444-I453 VanDerWaalsContact CA-CD1 3.45Å; I453-L467 WeakPolarHBondContact O-CA 3.41Å; I453-H468 HydrophobicContact CB-CB 4.43Å; I453-H468 PolarHBondContact N-O 3.02Å; I453-H468 PolarHBondContact O-N 3.48Å; I453-W477 HydrophobicContact CB-CZ3 4.34Å; I453-W477 HydrophobicContact CG1-CH2 3.72Å; I453-W477 HydrophobicContact CG1-CZ3 3.84Å
454	S	97	Very high	92.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	152.9	178.6	78.7	0	0	0	0	114.5	H442 A443 T466 M483 H490 M492	H442-S454 WeakPolarHBondContact CA-O 3.47Å; H442-S454 WeakPolarHBondContact CB-O 3.43Å; A443-S454 PolarHBondContact N-O 2.84Å; A443-S454 PolarHBondContact O-N 2.95Å; S454-T466 VanDerWaalsContact CA-O 3.23Å; S454-T466 WeakPolarHBondContact CA-O 3.48Å; S454-M483 PolarHBondContact OG-SD 3.01Å; S454-H490 PolarHBondContact O-CE1 2.76Å; S454-H490 PolarHBondContact O-NE2 2.73Å; S454-H490 PolarHBondContact OG-NE2 2.8Å; S454-M492 VanDerWaalsContact CB-SD 3.54Å; S454-M492 PolarHBondContact OG-SD 3.19Å
455	G	95.8	Very high	92.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.			trans	57.5	-158.5	172.4	0	0	0	0	0	114	I439 H442 K464 T466 R487	I439-G455 WeakPolarHBondContact CD1-O 3.28Å; H442-G455 WeakPolarHBondContact CB-O 3.01Å; G455-K464 WeakPolarHBondContact CA-O 3.24Å; G455-T466 PolarHBondContact N-O 2.87Å; G455-R487 WeakPolarHBondContact CA-O 3.47Å
456	G	94.8	Very high	92.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.			trans	97.4	176.6	-176.8	0	0	0	0	0	114.2	W440 G458 R487	W440-G456 CarbonylContact O-C 3.54Å; W440-G456 WeakPolarHBondContact O-CA 3.41Å; G456-G458 PolarHBondContact O-N 3.29Å; G456-R487 PolarHBondContact N-O 2.88Å
457	Y	92.5	Very high	92.3	Very high	37 Å²	37	44.7 Å²	44.7	15%	0.145	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-84.3	106.7	177.9	-73.2	-70.2	0	0	0	110.7	I439 W440 V488 R505 D507	I439-Y457 WeakPolarHBondContact CA-O 3.47Å; W440-Y457 AromaticContact CD2-CD2 3.78Å; W440-Y457 HydrophobicContact CD2-CD2 3.78Å; W440-Y457 HydrophobicContact CD2-CG 4.28Å; W440-Y457 VanDerWaalsContact CE2-CB 3.43Å; W440-Y457 AromaticContact CE2-CD2 3.45Å; W440-Y457 VanDerWaalsContact CE2-CD2 3.45Å; W440-Y457 AromaticContact CE2-CG 3.67Å; W440-Y457 AromaticContact CE3-CD2 3.75Å; W440-Y457 HydrophobicContact CE3-CD2 3.75Å; W440-Y457 HydrophobicContact CE3-CE2 4.45Å; W440-Y457 AromaticContact CH2-CD2 3.15Å; W440-Y457 HydrophobicContact CH2-CD2 3.15Å; W440-Y457 AromaticContact CH2-CE2 3.35Å; W440-Y457 HydrophobicContact CH2-CE2 3.35Å; W440-Y457 HydrophobicContact CH2-CG 4.03Å; W440-Y457 HydrophobicContact CZ2-CD1 4.39Å; W440-Y457 AromaticContact CZ2-CD2 3.16Å; W440-Y457 HydrophobicContact CZ2-CD2 3.16Å; W440-Y457 AromaticContact CZ2-CE2 3.76Å; W440-Y457 HydrophobicContact CZ2-CE2 3.76Å; W440-Y457 AromaticContact CZ2-CG 3.55Å; W440-Y457 HydrophobicContact CZ2-CG 3.55Å; W440-Y457 AromaticContact CZ3-CD2 3.45Å; W440-Y457 HydrophobicContact CZ3-CD2 3.45Å; W440-Y457 VanDerWaalsContact CZ3-CD2 3.45Å; W440-Y457 AromaticContact CZ3-CE2 3.74Å; W440-Y457 HydrophobicContact CZ3-CE2 3.74Å; W440-Y457 PolarHBondContact N-O 2.83Å; W440-Y457 VanDerWaalsContact NE1-CB 3.26Å; W440-Y457 AromaticContact NE1-CG 3.99Å; W440-Y457 PolarHBondContact O-N 3.14Å; Y457-V488 HydrophobicContact CD2-CB 4.44Å; Y457-V488 HydrophobicContact CD2-CG1 3.26Å; Y457-V488 HydrophobicContact CE1-CG2 4.34Å; Y457-V488 HydrophobicContact CE2-CB 4.08Å; Y457-V488 HydrophobicContact CE2-CG1 3.15Å; Y457-V488 HydrophobicContact CE2-CG2 4.31Å; Y457-V488 HydrophobicContact CG-CG1 4.04Å; Y457-R505 VanDerWaalsContact OH-CZ 3.26Å; Y457-R505 PolarHBondContact OH-NE 3.43Å; Y457-R505 VanDerWaalsContact OH-NE 3.12Å; Y457-R505 PolarHBondContact OH-NH2 2.96Å; Y457-D507 WeakPolarHBondContact CE1-OD2 3.48Å; Y457-D507 PolarHBondContact OH-OD1 3.04Å; Y457-D507 PolarHBondContact OH-OD2 2.86Å
458	G	86.8	Confident	92.3	Very high	30 Å²	30	44.4 Å²	44.4	31%	0.309	23%	0.231	S	C	.	.			trans	-105.6	-151.2	169.6	0	0	0	0	0	113.2	R438 G456 D463	R438-G458 WeakPolarHBondContact O-CA 3.47Å; G456-G458 PolarHBondContact O-N 3.29Å; G458-D463 WeakPolarHBondContact CA-OD2 3.35Å
459	V	83.4	Confident	92.5	Very high	133 Å²	133	39.9 Å²	39.9	81%	0.806	21%	0.214	S	C	*	.	S	Bend	trans	-85.9	-33.4	179.3	-178.7	0	0	0	0	111.2	D463	V459-D463 PolarHBondContact N-OD2 2.63Å
460	S	83.4	Confident	92.7	Very high	53 Å²	53	33.4 Å²	33.4	37%	0.371	18%	0.184	S	C	.	.	S	Bend	trans	-111.6	157.6	-179.7	-177.3	0	0	0	0	111.5	D462 D463	S460-D462 PolarHBondContact O-N 2.86Å; S460-D462 PolarHBondContact OG-N 2.99Å; S460-D463 PolarHBondContact N-OD2 2.83Å; S460-D463 WeakPolarHBondContact O-CB 3.41Å; S460-D463 PolarHBondContact O-N 2.63Å
461	L	80.8	Confident	92.7	Very high	133 Å²	133	32 Å²	32	70%	0.696	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-60.4	-31.8	170.4	-74.2	166.8	0	0	0	112.1	D463 K464	L461-D463 PolarHBondContact O-N 3.35Å; L461-K464 WeakPolarHBondContact O-CG 3.27Å; L461-K464 PolarHBondContact O-N 3.1Å
462	D	83.4	Confident	92.6	Very high	116 Å²	116	33 Å²	33	62%	0.62	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-66.7	-21.5	179.5	-66.9	-26.4	0	0	0	112.9	S460 K464 K465	S460-D462 PolarHBondContact O-N 2.86Å; S460-D462 PolarHBondContact OG-N 2.99Å; D462-K464 PolarHBondContact O-N 3.11Å; D462-K464 VanDerWaalsContact O-N 3.12Å; D462-K465 PolarHBondContact O-N 3.22Å; D462-K465 VanDerWaalsContact O-N 3.1Å
463	D	86.7	Confident	92.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58.7	-28.6	179.6	-72.4	-38.9	0	0	0	112.2	R437 G458 V459 S460 L461 K465 T466	R437-D463 WeakPolarHBondContact CD-OD1 3.34Å; R437-D463 IonicContact CZ-OD1 2.65Å; R437-D463 IonicContact NE-OD1 2.76Å; R437-D463 IonicContact NH1-OD1 3.78Å; R437-D463 PolarHBondContact NH1-OD1 2.6Å; R437-D463 IonicContact NH1-OD2 3.17Å; G458-D463 WeakPolarHBondContact CA-OD2 3.35Å; V459-D463 PolarHBondContact N-OD2 2.63Å; S460-D463 PolarHBondContact N-OD2 2.83Å; S460-D463 WeakPolarHBondContact O-CB 3.41Å; S460-D463 PolarHBondContact O-N 2.63Å; L461-D463 PolarHBondContact O-N 3.35Å; D463-K465 PolarHBondContact O-N 3.12Å; D463-K465 VanDerWaalsContact O-N 3.1Å; D463-T466 PolarHBondContact O-N 3.15Å; D463-T466 VanDerWaalsContact O-N 3.11Å; D463-T466 PolarHBondContact O-OG1 3.08Å
464	K	92.6	Very high	92.4	Very high	19 Å²	19	41.9 Å²	41.9	8%	0.083	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-64.4	-15.1	-180	-58.2	-176.6	-172.9	-173.7	0	113.8	G455 L461 D462 M483 P486 R487 V488 D507	G455-K464 WeakPolarHBondContact CA-O 3.24Å; L461-K464 WeakPolarHBondContact O-CG 3.27Å; L461-K464 PolarHBondContact O-N 3.1Å; D462-K464 PolarHBondContact O-N 3.11Å; D462-K464 VanDerWaalsContact O-N 3.12Å; K464-M483 WeakPolarHBondContact O-CE 3.36Å; K464-P486 HydrophobicContact CB-CB 3.64Å; K464-P486 WeakPolarHBondContact O-CA 3.5Å; K464-R487 PolarHBondContact O-N 2.69Å; K464-V488 HydrophobicContact CD-CG2 3.98Å; K464-V488 HydrophobicContact CG-CG2 3.98Å; K464-D507 IonicContact NZ-OD2 2.69Å; K464-D507 PolarHBondContact NZ-OD2 3.27Å
465	K	94.6	Very high	92.3	Very high	77 Å²	77	45 Å²	45	34%	0.335	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-106.7	-15.3	175.4	-62.4	-170.7	176	-154.2	0	113.7	D462 D463 P482 M483 N484 P486	D462-K465 PolarHBondContact O-N 3.22Å; D462-K465 VanDerWaalsContact O-N 3.1Å; D463-K465 PolarHBondContact O-N 3.12Å; D463-K465 VanDerWaalsContact O-N 3.1Å; K465-P482 HydrophobicContact CB-CB 4.02Å; K465-P482 CarbonylContact O-C 3.45Å; K465-P482 VanDerWaalsContact O-CA 3.23Å; K465-P482 WeakPolarHBondContact O-CA 3.42Å; K465-P482 WeakPolarHBondContact O-CB 3.41Å; K465-M483 PolarHBondContact O-N 2.83Å; K465-N484 WeakPolarHBondContact CE-O 3.34Å; K465-N484 PolarHBondContact NZ-O 2.99Å; K465-P486 HydrophobicContact CG-CB 3.81Å
466	T	95.7	Very high	92.4	Very high	19 Å²	19	49.2 Å²	49.2	12%	0.117	28%	0.278	C	S	.	.			trans	-63.4	144.7	-170.1	59.7	0	0	0	0	111.8	S454 G455 D463 H468	S454-T466 VanDerWaalsContact CA-O 3.23Å; S454-T466 WeakPolarHBondContact CA-O 3.48Å; G455-T466 PolarHBondContact N-O 2.87Å; D463-T466 PolarHBondContact O-N 3.15Å; D463-T466 VanDerWaalsContact O-N 3.11Å; D463-T466 PolarHBondContact O-OG1 3.08Å; T466-H468 PolarHBondContact OG1-CE1 2.83Å
467	L	97.1	Very high	92.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.6	169.2	-179.8	65.4	0	0	0	108.1	Y452 I453 K480 A481 M492 Y521 W528	Y452-L467 HydrophobicContact CD1-CD1 4.23Å; Y452-L467 HydrophobicContact CD1-CD2 4.27Å; Y452-L467 HydrophobicContact CD1-CG 4.37Å; I453-L467 WeakPolarHBondContact O-CA 3.41Å; L467-K480 HydrophobicContact CB-CB 4.14Å; L467-K480 HydrophobicContact CD2-CB 3.64Å; L467-K480 HydrophobicContact CD2-CG 4.43Å; L467-K480 HydrophobicContact CG-CB 3.88Å; L467-K480 PolarHBondContact O-N 2.95Å; L467-A481 WeakPolarHBondContact CB-O 3.32Å; L467-M492 HydrophobicContact CD1-CE 4.19Å; L467-Y521 HydrophobicContact CD2-CD1 3.8Å; L467-Y521 HydrophobicContact CD2-CD2 3.63Å; L467-Y521 HydrophobicContact CD2-CE1 3.76Å; L467-Y521 HydrophobicContact CD2-CE2 3.58Å; L467-Y521 HydrophobicContact CD2-CG 3.73Å; L467-W528 HydrophobicContact CB-CZ2 4.43Å; L467-W528 HydrophobicContact CD1-CZ2 4.14Å; L467-W528 HydrophobicContact CD2-CZ2 3.82Å; L467-W528 HydrophobicContact CG-CZ2 4.36Å
468	H	96.2	Very high	92.7	Very high	3 Å²	3	50.8 Å²	50.8	1%	0.014	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.7	174.6	-63.3	77.5	0	0	0	109.2	Y452 I453 T466 W477 D478 F479	Y452-H468 CarbonylContact C-O 3.53Å; Y452-H468 VanDerWaalsContact CA-O 3.31Å; Y452-H468 WeakPolarHBondContact CA-O 3.34Å; I453-H468 HydrophobicContact CB-CB 4.43Å; I453-H468 PolarHBondContact N-O 3.02Å; I453-H468 PolarHBondContact O-N 3.48Å; T466-H468 PolarHBondContact OG1-CE1 2.83Å; H468-W477 HydrophobicContact CB-CE3 3.7Å; H468-W477 HydrophobicContact CB-CZ3 3.94Å; H468-D478 CarbonylContact C-O 3.47Å; H468-D478 WeakPolarHBondContact CA-O 3.29Å; H468-F479 AromaticContact CD2-CE1 3.66Å; H468-F479 AromaticContact CE1-CE1 3.63Å; H468-F479 AromaticContact NE2-CD1 3.91Å; H468-F479 AromaticContact NE2-CE1 3.11Å; H468-F479 WeakPolarHBondContact NE2-CE1 3.19Å; H468-F479 AromaticContact NE2-CZ 3.68Å
469	C	97.6	Very high	93.2	Very high	4 Å²	4	53.8 Å²	53.8	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123	176.8	176.8	0	0	0	0	109.2	L451 Y452 W477 D478 K480	L451-C469 CarbonylContact O-C 3.53Å; L451-C469 VanDerWaalsContact O-CA 3.25Å; L451-C469 WeakPolarHBondContact O-CA 3.2Å; Y452-C469 HydrophobicContact CD1-CB 4.12Å; Y452-C469 HydrophobicContact CE1-CB 3.87Å; C469-W477 CarbonylContact O-C 3.59Å; C469-W477 WeakPolarHBondContact O-CA 3.24Å; C469-D478 PolarHBondContact N-O 2.89Å; C469-D478 PolarHBondContact O-N 3.02Å; C469-K480 HydrophobicContact CB-CD 4.42Å; C469-K480 HydrophobicContact CB-CG 3.69Å
470	Y	98.2	Very high	93.9	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.1	173.7	178.2	-112.8	0	0	0	110.6	L400 Y405 E433 K450 L451 P472 D475 Q476 W477	L400-Y470 HydrophobicContact CD2-CD1 4.33Å; L400-Y470 HydrophobicContact CD2-CE1 4.45Å; Y405-Y470 HydrophobicContact CD1-CE1 4.14Å; Y405-Y470 AromaticContact CE1-CE1 3.61Å; Y405-Y470 HydrophobicContact CE1-CE1 3.61Å; E433-Y470 HydrophobicContact CB-CE2 4.39Å; K450-Y470 WeakPolarHBondContact CA-O 3.36Å; K450-Y470 VanDerWaalsContact CB-O 3.29Å; K450-Y470 WeakPolarHBondContact CB-O 3.47Å; L451-Y470 HydrophobicContact CD1-CD1 3.83Å; L451-Y470 HydrophobicContact CG-CD1 4.1Å; L451-Y470 PolarHBondContact N-O 3.48Å; L451-Y470 VanDerWaalsContact N-O 3.16Å; L451-Y470 PolarHBondContact O-N 3.3Å; Y470-P472 HydrophobicContact CE1-CB 3.8Å; Y470-D475 VanDerWaalsContact CE2-OD1 3.31Å; Y470-D475 WeakPolarHBondContact CE2-OD1 2.93Å; Y470-D475 PolarHBondContact OH-OD1 2.8Å; Y470-Q476 WeakPolarHBondContact CA-O 3.27Å; Y470-W477 AromaticContact CD2-CD1 3.86Å; Y470-W477 AromaticContact CD2-CD2 3.98Å; Y470-W477 HydrophobicContact CD2-CD2 3.98Å; Y470-W477 AromaticContact CD2-CE2 3.59Å; Y470-W477 HydrophobicContact CD2-CG 4.15Å; Y470-W477 HydrophobicContact CD2-CZ2 4.05Å; Y470-W477 AromaticContact CD2-NE1 3.48Å; Y470-W477 HydrophobicContact CG-CD2 4.27Å; Y470-W477 AromaticContact CG-CE2 3.9Å; Y470-W477 HydrophobicContact CG-CH2 4.34Å; Y470-W477 AromaticContact CG-CZ2 3.93Å; Y470-W477 HydrophobicContact CG-CZ2 3.93Å
471	D	96.9	Very high	94.5	Very high	34 Å²	34	49.2 Å²	49.2	18%	0.182	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.6	169.3	-165.4	-29.1	0	0	0	109	K450 V473 P474 D475 Q476	K450-D471 HydrophobicContact CD-CB 4.47Å; K450-D471 WeakPolarHBondContact CE-OD2 3.47Å; K450-D471 IonicContact NZ-OD2 2.63Å; K450-D471 PolarHBondContact NZ-OD2 3.16Å; D471-V473 PolarHBondContact O-N 2.78Å; D471-V473 PolarHBondContact OD1-N 3.13Å; D471-V473 VanDerWaalsContact OD1-N 3.11Å; D471-P474 HydrophobicContact CB-CG 3.74Å; D471-P474 WeakPolarHBondContact O-CD 3.33Å; D471-P474 WeakPolarHBondContact OD1-CD 3.42Å; D471-D475 WeakPolarHBondContact O-CA 3.45Å; D471-D475 PolarHBondContact O-N 2.94Å; D471-D475 VanDerWaalsContact O-N 3.13Å; D471-Q476 PolarHBondContact N-O 3.12Å; D471-Q476 PolarHBondContact O-N 3.1Å
472	P	95.4	Very high	95.3	Very high	21 Å²	21	46.5 Å²	46.5	14%	0.136	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.4	-177.8	31.6	-38.1	0	0	0	113.2	L400 Y470	L400-P472 HydrophobicContact CD2-CB 3.86Å; L400-P472 HydrophobicContact CD2-CG 3.57Å; L400-P472 HydrophobicContact CG-CG 4.33Å; Y470-P472 HydrophobicContact CE1-CB 3.8Å
473	V	94.5	Very high	96	Very high	121 Å²	121	41.1 Å²	41.1	73%	0.733	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-53.7	-177.5	178.4	0	0	0	0	111.8	D471 D475	D471-V473 PolarHBondContact O-N 2.78Å; D471-V473 PolarHBondContact OD1-N 3.13Å; D471-V473 VanDerWaalsContact OD1-N 3.11Å; V473-D475 VanDerWaalsContact C-N 3.3Å
474	P	96.5	Very high	96.4	Very high	76 Å²	76	44.7 Å²	44.7	49%	0.494	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-4.5	171.6	35.9	-36.8	0	0	0	113.5	D471 Q476	D471-P474 HydrophobicContact CB-CG 3.74Å; D471-P474 WeakPolarHBondContact O-CD 3.33Å; D471-P474 WeakPolarHBondContact OD1-CD 3.42Å; P474-Q476 HydrophobicContact CB-CB 4.44Å; P474-Q476 HydrophobicContact CG-CB 4.21Å
475	D	96.4	Very high	96.3	Very high	64 Å²	64	47.9 Å²	47.9	34%	0.342	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	59.3	-172.4	-169.7	18.3	0	0	0	111.1	E433 Y470 D471 V473	E433-D475 VanDerWaalsContact CB-O 3.24Å; E433-D475 WeakPolarHBondContact CB-O 3.39Å; E433-D475 WeakPolarHBondContact CB-OD1 3.41Å; E433-D475 WeakPolarHBondContact CG-O 3.38Å; E433-D475 PolarHBondContact N-OD1 2.79Å; Y470-D475 VanDerWaalsContact CE2-OD1 3.31Å; Y470-D475 WeakPolarHBondContact CE2-OD1 2.93Å; Y470-D475 PolarHBondContact OH-OD1 2.8Å; D471-D475 WeakPolarHBondContact O-CA 3.45Å; D471-D475 PolarHBondContact O-N 2.94Å; D471-D475 VanDerWaalsContact O-N 3.13Å; V473-D475 VanDerWaalsContact C-N 3.3Å
476	Q	97.4	Very high	96.3	Very high	90 Å²	90	45.2 Å²	45.2	42%	0.421	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.3	-174.7	-177.6	176.7	-20	0	0	112.7	Y470 D471 P474 D478	Y470-Q476 WeakPolarHBondContact CA-O 3.27Å; D471-Q476 PolarHBondContact N-O 3.12Å; D471-Q476 PolarHBondContact O-N 3.1Å; P474-Q476 HydrophobicContact CB-CB 4.44Å; P474-Q476 HydrophobicContact CG-CB 4.21Å; Q476-D478 PolarHBondContact NE2-OD1 3.17Å
477	W	97.6	Very high	96.2	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.6	167.5	-68.6	91.5	0	0	0	112.2	T407 V419 E433 L435 K436 L451 I453 H468 C469 Y470	T407-W477 HydrophobicContact CG2-CH2 4.07Å; T407-W477 HydrophobicContact CG2-CZ2 4.11Å; V419-W477 HydrophobicContact CG2-CZ2 3.93Å; E433-W477 PolarHBondContact O-NE1 3Å; L435-W477 HydrophobicContact CD2-CD2 3.76Å; L435-W477 HydrophobicContact CD2-CE3 3.85Å; L435-W477 HydrophobicContact CD2-CH2 3.62Å; L435-W477 HydrophobicContact CD2-CZ2 3.55Å; L435-W477 HydrophobicContact CD2-CZ3 3.76Å; L435-W477 HydrophobicContact CG-CZ2 4.36Å; K436-W477 WeakPolarHBondContact CE-O 3.25Å; K436-W477 PolarHBondContact NZ-O 3.38Å; L451-W477 HydrophobicContact CB-CH2 4.48Å; I453-W477 HydrophobicContact CB-CZ3 4.34Å; I453-W477 HydrophobicContact CG1-CH2 3.72Å; I453-W477 HydrophobicContact CG1-CZ3 3.84Å; H468-W477 HydrophobicContact CB-CE3 3.7Å; H468-W477 HydrophobicContact CB-CZ3 3.94Å; C469-W477 CarbonylContact O-C 3.59Å; C469-W477 WeakPolarHBondContact O-CA 3.24Å; Y470-W477 AromaticContact CD2-CD1 3.86Å; Y470-W477 AromaticContact CD2-CD2 3.98Å; Y470-W477 HydrophobicContact CD2-CD2 3.98Å; Y470-W477 AromaticContact CD2-CE2 3.59Å; Y470-W477 HydrophobicContact CD2-CG 4.15Å; Y470-W477 HydrophobicContact CD2-CZ2 4.05Å; Y470-W477 AromaticContact CD2-NE1 3.48Å; Y470-W477 HydrophobicContact CG-CD2 4.27Å; Y470-W477 AromaticContact CG-CE2 3.9Å; Y470-W477 HydrophobicContact CG-CH2 4.34Å; Y470-W477 AromaticContact CG-CZ2 3.93Å; Y470-W477 HydrophobicContact CG-CZ2 3.93Å
478	D	96.7	Very high	96.1	Very high	67 Å²	67	44.3 Å²	44.3	36%	0.358	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.5	172.3	-69.8	-40.2	0	0	0	112	K436 H468 C469 Q476	K436-D478 IonicContact NZ-OD1 3.86Å; H468-D478 CarbonylContact C-O 3.47Å; H468-D478 WeakPolarHBondContact CA-O 3.29Å; C469-D478 PolarHBondContact N-O 2.89Å; C469-D478 PolarHBondContact O-N 3.02Å; Q476-D478 PolarHBondContact NE2-OD1 3.17Å
479	F	96.3	Very high	96.1	Very high	93 Å²	93	44.8 Å²	44.8	41%	0.408	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.6	171.5	-69.7	-74.9	0	0	0	109.9	K436 H468	K436-F479 HydrophobicContact CB-CZ 4.2Å; K436-F479 HydrophobicContact CD-CD2 4.14Å; K436-F479 HydrophobicContact CD-CE2 3.47Å; K436-F479 VanDerWaalsContact CD-CE2 3.47Å; K436-F479 HydrophobicContact CD-CZ 3.96Å; H468-F479 AromaticContact CD2-CE1 3.66Å; H468-F479 AromaticContact CE1-CE1 3.63Å; H468-F479 AromaticContact NE2-CD1 3.91Å; H468-F479 AromaticContact NE2-CE1 3.11Å; H468-F479 WeakPolarHBondContact NE2-CE1 3.19Å; H468-F479 AromaticContact NE2-CZ 3.68Å
480	K	97.4	Very high	96.1	Very high	70 Å²	70	45 Å²	45	30%	0.304	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	177	173.2	-65.8	-59.7	-176.7	-178.6	0	110.3	Y452 L467 C469 Y521 D526	Y452-K480 HydrophobicContact CE1-CG 4.5Å; L467-K480 HydrophobicContact CB-CB 4.14Å; L467-K480 HydrophobicContact CD2-CB 3.64Å; L467-K480 HydrophobicContact CD2-CG 4.43Å; L467-K480 HydrophobicContact CG-CB 3.88Å; L467-K480 PolarHBondContact O-N 2.95Å; C469-K480 HydrophobicContact CB-CD 4.42Å; C469-K480 HydrophobicContact CB-CG 3.69Å; K480-Y521 HydrophobicContact CB-CE2 4.49Å; K480-D526 WeakPolarHBondContact CB-OD1 3.35Å
481	A	97.7	Very high	96	Very high	20 Å²	20	45.5 Å²	45.5	17%	0.165	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-52.7	128.9	177	0	0	0	0	0	110.4	L467 Y521 D526 W528	L467-A481 WeakPolarHBondContact CB-O 3.32Å; A481-Y521 HydrophobicContact CB-CE2 4.44Å; A481-D526 WeakPolarHBondContact CB-O 3.28Å; A481-D526 VanDerWaalsContact CB-OD1 3.27Å; A481-D526 WeakPolarHBondContact CB-OD1 3.16Å; A481-D526 PolarHBondContact N-OD1 2.95Å; A481-W528 PolarHBondContact O-NE1 2.75Å
482	P	97.3	Very high	96.1	Very high	76 Å²	76	44.6 Å²	44.6	49%	0.494	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-71.1	153.4	-179.6	30.5	-35	0	0	0	110.9	K465 W528	K465-P482 HydrophobicContact CB-CB 4.02Å; K465-P482 CarbonylContact O-C 3.45Å; K465-P482 VanDerWaalsContact O-CA 3.23Å; K465-P482 WeakPolarHBondContact O-CA 3.42Å; K465-P482 WeakPolarHBondContact O-CB 3.41Å; P482-W528 PolarHBondContact O-NE1 3.27Å
483	M	97	Very high	96.1	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-56.5	154.2	170.6	-73	-177.2	-59.3	0	0	111.5	S454 K464 K465 E485 R487 A501 E519 W528	S454-M483 PolarHBondContact OG-SD 3.01Å; K464-M483 WeakPolarHBondContact O-CE 3.36Å; K465-M483 PolarHBondContact O-N 2.83Å; M483-E485 WeakPolarHBondContact CB-O 3.48Å; M483-R487 HydrophobicContact CE-CB 4.07Å; M483-R487 HydrophobicContact CE-CG 4.26Å; M483-R487 HydrophobicContact SD-CG 4.4Å; M483-A501 HydrophobicContact SD-CB 3.97Å; M483-E519 VanDerWaalsContact CA-OE1 3.25Å; M483-E519 WeakPolarHBondContact CA-OE1 3.21Å; M483-E519 WeakPolarHBondContact CB-OE1 3.47Å; M483-E519 WeakPolarHBondContact CG-OE1 3.47Å; M483-W528 HydrophobicContact CB-CZ2 4.47Å; M483-W528 HydrophobicContact CG-CD2 4.06Å; M483-W528 HydrophobicContact CG-CE3 4.29Å; M483-W528 HydrophobicContact CG-CH2 3.57Å; M483-W528 HydrophobicContact CG-CZ2 3.28Å; M483-W528 HydrophobicContact CG-CZ3 4.07Å; M483-W528 HydrophobicContact SD-CH2 4.05Å; M483-W528 HydrophobicContact SD-CZ2 4.27Å
484	N	95	Very high	96.2	Very high	76 Å²	76	40.3 Å²	40.3	41%	0.406	22%	0.218	S	C	.	.	S	Bend	trans	-69.7	-46.8	174.9	-69	-46.9	0	0	0	110.3	K465 E519	K465-N484 WeakPolarHBondContact CE-O 3.34Å; K465-N484 PolarHBondContact NZ-O 2.99Å; N484-E519 PolarHBondContact N-OE1 3.08Å
485	E	91.7	Very high	96	Very high	85 Å²	85	37.1 Å²	37.1	40%	0.397	20%	0.197	S	C	.	.	S	Bend	trans	-102.8	138.1	179.4	-64.4	-58.5	153.4	0	0	112.1	M483 V515 A517 E519	M483-E485 WeakPolarHBondContact CB-O 3.48Å; E485-V515 HydrophobicContact CB-CG1 4.31Å; E485-A517 HydrophobicContact CG-CB 4Å; E485-E519 PolarHBondContact N-OE2 3.04Å
486	P	93.3	Very high	95.4	Very high	21 Å²	21	39.6 Å²	39.6	14%	0.136	21%	0.207	C	C	.	.			trans	-73.7	133.1	174.7	30.9	-29.6	0	0	0	110.6	K464 K465 M506	K464-P486 HydrophobicContact CB-CB 3.64Å; K464-P486 WeakPolarHBondContact O-CA 3.5Å; K465-P486 HydrophobicContact CG-CB 3.81Å; P486-M506 HydrophobicContact CG-CG 4.04Å; P486-M506 HydrophobicContact CG-SD 3.68Å
487	R	94.4	Very high	94.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.			trans	-134.2	145.3	-174.7	-59.6	175.3	-169.9	-97.2	-2.1	112.5	G455 G456 K464 M483 H490 G503 V515 A517 E519	G455-R487 WeakPolarHBondContact CA-O 3.47Å; G456-R487 PolarHBondContact N-O 2.88Å; K464-R487 PolarHBondContact O-N 2.69Å; M483-R487 HydrophobicContact CE-CB 4.07Å; M483-R487 HydrophobicContact CE-CG 4.26Å; M483-R487 HydrophobicContact SD-CG 4.4Å; R487-H490 HydrophobicContact CB-CB 4.02Å; R487-H490 WeakPolarHBondContact CB-ND1 3.41Å; R487-G503 PolarHBondContact NH1-O 3.03Å; R487-V515 HydrophobicContact CG-CG1 4.29Å; R487-A517 PolarHBondContact NH1-O 3.04Å; R487-A517 PolarHBondContact NH2-O 3.45Å; R487-E519 IonicContact CZ-OE2 2.7Å; R487-E519 IonicContact NE-OE2 3.34Å; R487-E519 IonicContact NH2-OE2 3.15Å; R487-E519 PolarHBondContact NH2-OE2 2.83Å
488	V	95.1	Very high	94.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-141	146.3	167.3	-167.7	0	0	0	0	109	Y457 K464 H490 G504 R505	Y457-V488 HydrophobicContact CD2-CB 4.44Å; Y457-V488 HydrophobicContact CD2-CG1 3.26Å; Y457-V488 HydrophobicContact CE1-CG2 4.34Å; Y457-V488 HydrophobicContact CE2-CB 4.08Å; Y457-V488 HydrophobicContact CE2-CG1 3.15Å; Y457-V488 HydrophobicContact CE2-CG2 4.31Å; Y457-V488 HydrophobicContact CG-CG1 4.04Å; K464-V488 HydrophobicContact CD-CG2 3.98Å; K464-V488 HydrophobicContact CG-CG2 3.98Å; V488-H490 PolarHBondContact O-N 2.93Å; V488-H490 VanDerWaalsContact O-N 3.17Å; V488-G504 CarbonylContact O-C 3.55Å; V488-G504 VanDerWaalsContact O-CA 3.29Å; V488-G504 WeakPolarHBondContact O-CA 3.49Å; V488-R505 PolarHBondContact N-O 3.38Å; V488-R505 PolarHBondContact O-N 2.78Å
489	L	95.6	Very high	94.8	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.068	21%	0.213	C	C	.	.	S	Bend	trans	57	26.6	-178.2	-53.3	169.1	0	0	0	112.6	Q394 G441 E540	Q394-L489 HydrophobicContact CG-CD2 4.13Å; G441-L489 PolarHBondContact O-N 2.87Å; L489-E540 HydrophobicContact CB-CG 3.9Å; L489-E540 HydrophobicContact CD1-CG 3.95Å; L489-E540 WeakPolarHBondContact CD1-OE1 3.24Å; L489-E540 HydrophobicContact CD2-CG 4.27Å; L489-E540 HydrophobicContact CG-CG 4.25Å; L489-E540 PolarHBondContact O-N 3.38Å
490	H	97.4	Very high	94.9	Very high	10 Å²	10	38 Å²	38	5%	0.046	19%	0.194	C	C	.	.			trans	-83.5	174.3	173.4	64.9	-68.2	0	0	0	111	A443 S454 R487 V488 L502 G503	A443-H490 WeakPolarHBondContact CB-NE2 3.38Å; A443-H490 WeakPolarHBondContact CB-O 3.39Å; S454-H490 PolarHBondContact O-CE1 2.76Å; S454-H490 PolarHBondContact O-NE2 2.73Å; S454-H490 PolarHBondContact OG-NE2 2.8Å; R487-H490 HydrophobicContact CB-CB 4.02Å; R487-H490 WeakPolarHBondContact CB-ND1 3.41Å; V488-H490 PolarHBondContact O-N 2.93Å; V488-H490 VanDerWaalsContact O-N 3.17Å; H490-L502 WeakPolarHBondContact CB-O 3.35Å; H490-G503 WeakPolarHBondContact CB-O 3.47Å
491	A	97.2	Very high	94.9	Very high	13 Å²	13	34.7 Å²	34.7	11%	0.107	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	150.5	172.7	0	0	0	0	0	110.9	A501 L502 C543 I552	A491-A501 WeakPolarHBondContact O-CA 3.46Å; A491-L502 PolarHBondContact N-O 2.7Å; A491-L502 PolarHBondContact O-N 2.84Å; A491-C543 HydrophobicContact CB-CB 3.46Å; A491-C543 VanDerWaalsContact CB-CB 3.46Å; A491-I552 HydrophobicContact CB-CD1 4.39Å
492	M	97.4	Very high	94.9	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.074	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.5	168.2	-83.8	173.3	80.4	0	0	110.2	A443 T445 S454 L467 V499 Y500 A501	A443-M492 HydrophobicContact CB-CB 3.75Å; A443-M492 HydrophobicContact CB-CG 3.51Å; A443-M492 HydrophobicContact CB-SD 3.76Å; T445-M492 HydrophobicContact CG2-CE 4.42Å; S454-M492 VanDerWaalsContact CB-SD 3.54Å; S454-M492 PolarHBondContact OG-SD 3.19Å; L467-M492 HydrophobicContact CD1-CE 4.19Å; M492-V499 HydrophobicContact CE-CG1 3.22Å; M492-Y500 CarbonylContact C-O 3.56Å; M492-Y500 WeakPolarHBondContact CA-O 3.37Å; M492-A501 HydrophobicContact CG-CB 4.23Å
493	I	97.1	Very high	94.8	Very high	17 Å²	17	30.3 Å²	30.3	9%	0.087	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	139.2	177.3	-164.2	156.7	0	0	0	112.4	Y500 L502 C544 L545 V550	I493-Y500 PolarHBondContact N-O 2.76Å; I493-Y500 PolarHBondContact O-N 2.81Å; I493-L502 HydrophobicContact CG2-CD1 4.09Å; I493-C544 VanDerWaalsContact CD1-CA 3.46Å; I493-L545 HydrophobicContact CD1-CB 3.58Å; I493-L545 HydrophobicContact CG1-CB 4.23Å; I493-V550 HydrophobicContact CG2-CG1 3.96Å; I493-V550 HydrophobicContact CG2-CG2 3.72Å
494	S	95.6	Very high	94.8	Very high	36 Å²	36	30.1 Å²	30.1	25%	0.252	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.5	175.3	63.6	0	0	0	0	111.7	T445 S446 R498	T445-S494 PolarHBondContact OG1-N 2.75Å; T445-S494 VanDerWaalsContact OG1-N 3.15Å; S446-S494 WeakPolarHBondContact O-CB 3.31Å; S446-S494 PolarHBondContact O-OG 2.83Å; S494-R498 CarbonylContact C-O 3.54Å; S494-R498 VanDerWaalsContact CA-O 3.28Å; S494-R498 WeakPolarHBondContact CA-O 3.34Å
495	T	92.3	Very high	94.7	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.055	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	137.5	171.8	179.5	0	0	0	0	109.4	Q497 R498 Y500 T572	T495-Q497 PolarHBondContact O-N 3.33Å; T495-R498 PolarHBondContact N-O 2.6Å; T495-R498 WeakPolarHBondContact O-CA 3.45Å; T495-R498 PolarHBondContact O-N 3.5Å; T495-Y500 HydrophobicContact CG2-CD2 3.35Å; T495-Y500 HydrophobicContact CG2-CE2 3.1Å; T495-Y500 HydrophobicContact CG2-CG 4.43Å; T495-T572 HydrophobicContact CG2-CG2 3.79Å
496	Q	83.7	Confident	94.6	Very high	116 Å²	116	26.9 Å²	26.9	54%	0.542	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	44	43.4	178.1	-57.1	-176.3	9.9	0	0	113.8	R498 E573	Q496-R498 PolarHBondContact O-N 3Å; Q496-E573 PolarHBondContact NE2-OE1 2.85Å; Q496-E573 VanDerWaalsContact NE2-OE1 3.1Å
497	Q	86.7	Confident	94.2	Very high	118 Å²	118	28 Å²	28	55%	0.551	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	11.6	-178.5	-47.2	178.7	2.3	0	0	116.6	T495 P523	T495-Q497 PolarHBondContact O-N 3.33Å; Q497-P523 WeakPolarHBondContact O-CD 3.21Å
498	R	95.1	Very high	93.4	Very high	96 Å²	96	33.6 Å²	33.6	36%	0.362	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	157.8	170.8	-64	171.8	-179.1	173.1	2.2	109.9	S494 T495 Q496 Y500 Y520 Y521	S494-R498 CarbonylContact C-O 3.54Å; S494-R498 VanDerWaalsContact CA-O 3.28Å; S494-R498 WeakPolarHBondContact CA-O 3.34Å; T495-R498 PolarHBondContact N-O 2.6Å; T495-R498 WeakPolarHBondContact O-CA 3.45Å; T495-R498 PolarHBondContact O-N 3.5Å; Q496-R498 PolarHBondContact O-N 3Å; R498-Y500 HydrophobicContact CB-CD2 4.35Å; R498-Y500 HydrophobicContact CB-CE2 3.82Å; R498-Y520 HydrophobicContact CB-CD2 4.14Å; R498-Y520 HydrophobicContact CG-CD2 4.01Å; R498-Y520 HydrophobicContact CG-CE2 4.34Å; R498-Y521 WeakPolarHBondContact CA-O 3.43Å
499	V	97.8	Very high	92.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	111.6	179.1	172.4	0	0	0	0	109.2	T445 C447 Y452 M492 Y520 Y521	T445-V499 HydrophobicContact CG2-CB 4.22Å; T445-V499 HydrophobicContact CG2-CG1 3.53Å; T445-V499 HydrophobicContact CG2-CG2 3.79Å; C447-V499 HydrophobicContact CB-CG2 3.63Å; Y452-V499 HydrophobicContact CD2-CG2 4.37Å; M492-V499 HydrophobicContact CE-CG1 3.22Å; V499-Y520 CarbonylContact O-C 3.52Å; V499-Y520 VanDerWaalsContact O-CA 3.23Å; V499-Y520 WeakPolarHBondContact O-CA 3.48Å; V499-Y521 HydrophobicContact CB-CD1 4.5Å; V499-Y521 PolarHBondContact N-O 3.43Å; V499-Y521 PolarHBondContact O-N 3.34Å
500	Y	97.9	Very high	91.4	Very high	5 Å²	5	46.2 Å²	46.2	2%	0.02	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	140.7	-179.4	-72.5	-110.7	0	0	0	110.2	M492 I493 T495 R498 V518 E519 Y520 V531 Y570 T572	M492-Y500 CarbonylContact C-O 3.56Å; M492-Y500 WeakPolarHBondContact CA-O 3.37Å; I493-Y500 PolarHBondContact N-O 2.76Å; I493-Y500 PolarHBondContact O-N 2.81Å; T495-Y500 HydrophobicContact CG2-CD2 3.35Å; T495-Y500 HydrophobicContact CG2-CE2 3.1Å; T495-Y500 HydrophobicContact CG2-CG 4.43Å; R498-Y500 HydrophobicContact CB-CD2 4.35Å; R498-Y500 HydrophobicContact CB-CE2 3.82Å; Y500-V518 HydrophobicContact CD1-CG1 4.36Å; Y500-E519 CarbonylContact C-O 3.55Å; Y500-E519 WeakPolarHBondContact CA-O 3.38Å; Y500-Y520 AromaticContact CE1-CD1 3.97Å; Y500-Y520 HydrophobicContact CE1-CD1 3.97Å; Y500-Y520 HydrophobicContact CE1-CG 4.26Å; Y500-Y520 HydrophobicContact CE2-CG 4.33Å; Y500-Y520 AromaticContact CZ-CD1 3.99Å; Y500-V531 HydrophobicContact CE1-CG2 4.42Å; Y500-Y570 AromaticContact CD1-CE1 3.98Å; Y500-Y570 HydrophobicContact CD1-CE1 3.98Å; Y500-Y570 AromaticContact CE1-CE1 3.67Å; Y500-Y570 HydrophobicContact CE1-CE1 3.67Å; Y500-T572 HydrophobicContact CE1-CG2 4.45Å
501	A	97.9	Very high	90.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.1	170.4	0	0	0	0	0	109.2	M483 A491 M492 E519 W528	M483-A501 HydrophobicContact SD-CB 3.97Å; A491-A501 WeakPolarHBondContact O-CA 3.46Å; M492-A501 HydrophobicContact CG-CB 4.23Å; A501-E519 HydrophobicContact CB-CG 4.16Å; A501-E519 PolarHBondContact N-O 3.45Å; A501-E519 PolarHBondContact O-N 2.92Å; A501-W528 HydrophobicContact CB-CH2 4.03Å; A501-W528 HydrophobicContact CB-CZ3 3.78Å
502	L	97.3	Very high	90.1	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.2	-171.7	-46.8	96.2	0	0	0	111.1	H490 A491 I493 V518 M534 V550 I552 W577	H490-L502 WeakPolarHBondContact CB-O 3.35Å; A491-L502 PolarHBondContact N-O 2.7Å; A491-L502 PolarHBondContact O-N 2.84Å; I493-L502 HydrophobicContact CG2-CD1 4.09Å; L502-V518 HydrophobicContact CB-CG2 4.44Å; L502-V518 HydrophobicContact CD2-CG1 3.87Å; L502-V518 HydrophobicContact CD2-CG2 4.23Å; L502-V518 HydrophobicContact CG-CG1 3.89Å; L502-V518 HydrophobicContact CG-CG2 4.41Å; L502-M534 HydrophobicContact CB-SD 4.27Å; L502-V550 HydrophobicContact CD1-CG1 4.24Å; L502-V550 HydrophobicContact CD2-CG1 4.15Å; L502-I552 HydrophobicContact CB-CD1 4.34Å; L502-I552 HydrophobicContact CD2-CD1 4.45Å; L502-W577 HydrophobicContact CD2-CH2 4.22Å
503	G	96.2	Very high	89.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.01	29%	0.288	C	S	.	.			trans	68.3	-149.4	170.7	0	0	0	0	0	113.8	R487 H490 V515 M534	R487-G503 PolarHBondContact NH1-O 3.03Å; H490-G503 WeakPolarHBondContact CB-O 3.47Å; G503-V515 WeakPolarHBondContact CA-O 3.4Å; G503-M534 WeakPolarHBondContact CA-SD 3.5Å; G503-M534 PolarHBondContact N-SD 2.87Å
504	G	95.6	Very high	89.7	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.291	C	S	.	.			trans	82.9	-166.3	-172.6	0	0	0	0	0	113.1	V488 V515 Q538 S539	V488-G504 CarbonylContact O-C 3.55Å; V488-G504 VanDerWaalsContact O-CA 3.29Å; V488-G504 WeakPolarHBondContact O-CA 3.49Å; G504-V515 PolarHBondContact O-N 3.17Å; G504-Q538 PolarHBondContact N-O 3.15Å; G504-S539 WeakPolarHBondContact CA-OG 3.41Å; G504-S539 PolarHBondContact O-OG 3.25Å
505	R	93.1	Very high	89.7	Confident	35 Å²	35	59.1 Å²	59.1	13%	0.132	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157	-178.2	74	-178.2	-170	175.8	-3.6	112.3	Y457 V488 D507 F513 S539 W558	Y457-R505 VanDerWaalsContact OH-CZ 3.26Å; Y457-R505 PolarHBondContact OH-NE 3.43Å; Y457-R505 VanDerWaalsContact OH-NE 3.12Å; Y457-R505 PolarHBondContact OH-NH2 2.96Å; V488-R505 PolarHBondContact N-O 3.38Å; V488-R505 PolarHBondContact O-N 2.78Å; R505-D507 IonicContact NE-OD1 3.37Å; R505-F513 CarbonylContact C-O 3.54Å; R505-F513 WeakPolarHBondContact CA-O 3.29Å; R505-S539 PolarHBondContact N-OG 2.93Å; R505-W558 HydrophobicContact CB-CG 4.26Å; R505-W558 VanDerWaalsContact CD-CZ2 3.5Å
506	M	89.9	Confident	89.9	Confident	57 Å²	57	62.2 Å²	62.2	28%	0.281	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.9	167.6	178.8	-177.3	65	0	0	109.1	P486 C512 F513 V515	P486-M506 HydrophobicContact CG-CG 4.04Å; P486-M506 HydrophobicContact CG-SD 3.68Å; M506-C512 CarbonylContact O-C 3.57Å; M506-C512 WeakPolarHBondContact O-CA 3.3Å; M506-F513 PolarHBondContact N-O 2.88Å; M506-F513 PolarHBondContact O-N 2.97Å; M506-V515 HydrophobicContact CB-CG2 3.96Å
507	D	84.7	Confident	90.5	Very high	46 Å²	46	58.1 Å²	58.1	25%	0.246	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.6	172.1	-41.8	-61.1	0	0	0	110	Y457 K464 R505 C512	Y457-D507 WeakPolarHBondContact CE1-OD2 3.48Å; Y457-D507 PolarHBondContact OH-OD1 3.04Å; Y457-D507 PolarHBondContact OH-OD2 2.86Å; K464-D507 IonicContact NZ-OD2 2.69Å; K464-D507 PolarHBondContact NZ-OD2 3.27Å; R505-D507 IonicContact NE-OD1 3.37Å; D507-C512 PolarHBondContact OD1-SG 2.76Å
508	H	76.9	Confident	91.1	Very high	116 Å²	116	52.5 Å²	52.5	54%	0.537	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	108.1	172	179	-50.9	0	0	0	110	D510 R511 F513	H508-D510 PolarHBondContact O-N 3.02Å; H508-R511 PolarHBondContact N-O 2.7Å; H508-R511 PolarHBondContact O-N 2.82Å; H508-F513 HydrophobicContact CB-CD2 4.06Å; H508-F513 HydrophobicContact CB-CE2 3.83Å
509	V	76.2	Confident	91.2	Very high	126 Å²	126	48 Å²	48	76%	0.764	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	-89.4	179.7	-171.6	0	0	0	0	112
510	D	73.6	Confident	91.2	Very high	152 Å²	152	49.7 Å²	49.7	81%	0.813	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.4	4	-175.3	-59.5	-40.3	0	0	0	113.7	H508	H508-D510 PolarHBondContact O-N 3.02Å
511	R	80.3	Confident	91.2	Very high	186 Å²	186	49.5 Å²	49.5	70%	0.702	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.7	-177.4	-66.2	-171.5	-172.7	-167.5	2	113	H508 F513	H508-R511 PolarHBondContact N-O 2.7Å; H508-R511 PolarHBondContact O-N 2.82Å; R511-F513 HydrophobicContact CB-CE2 3.75Å; R511-F513 HydrophobicContact CB-CZ 4.02Å
512	C	87.1	Confident	91.2	Very high	38 Å²	38	50.6 Å²	50.6	26%	0.257	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.6	169.1	-63.1	0	0	0	0	109.2	M506 D507 W558	M506-C512 CarbonylContact O-C 3.57Å; M506-C512 WeakPolarHBondContact O-CA 3.3Å; D507-C512 PolarHBondContact OD1-SG 2.76Å; C512-W558 HydrophobicContact CB-CB 4.39Å; C512-W558 HydrophobicContact CB-CD2 3.68Å; C512-W558 HydrophobicContact CB-CE3 3.4Å; C512-W558 HydrophobicContact CB-CG 4.09Å; C512-W558 HydrophobicContact CB-CZ3 4.07Å
513	F	90.6	Very high	91.1	Very high	97 Å²	97	51.5 Å²	51.5	43%	0.425	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.2	178.1	-64.7	-89.8	0	0	0	110	R505 M506 H508 R511	R505-F513 CarbonylContact C-O 3.54Å; R505-F513 WeakPolarHBondContact CA-O 3.29Å; M506-F513 PolarHBondContact N-O 2.88Å; M506-F513 PolarHBondContact O-N 2.97Å; H508-F513 HydrophobicContact CB-CD2 4.06Å; H508-F513 HydrophobicContact CB-CE2 3.83Å; R511-F513 HydrophobicContact CB-CE2 3.75Å; R511-F513 HydrophobicContact CB-CZ 4.02Å
514	D	94.8	Very high	91.1	Very high	29 Å²	29	58 Å²	58	16%	0.155	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.6	172.3	-63.7	-68.2	0	0	0	110.9	L516 W558 H559	D514-L516 HydrophobicContact CB-CD2 4.47Å; D514-W558 PolarHBondContact OD1-N 3.22Å; D514-W558 PolarHBondContact OD2-N 2.83Å; D514-W558 VanDerWaalsContact OD2-N 3.14Å; D514-H559 WeakPolarHBondContact OD2-CB 3.32Å; D514-H559 PolarHBondContact OD2-N 3.17Å
515	V	95.9	Very high	91.1	Very high	13 Å²	13	61.3 Å²	61.3	8%	0.079	31%	0.314	C	S	.	.			trans	-95.4	106.1	173.5	-175.4	0	0	0	0	108.9	E485 R487 G503 G504 M506 A517	E485-V515 HydrophobicContact CB-CG1 4.31Å; R487-V515 HydrophobicContact CG-CG1 4.29Å; G503-V515 WeakPolarHBondContact CA-O 3.4Å; G504-V515 PolarHBondContact O-N 3.17Å; M506-V515 HydrophobicContact CB-CG2 3.96Å; V515-A517 HydrophobicContact CG1-CB 4.47Å
516	L	96.7	Very high	91.4	Very high	74 Å²	74	62.1 Å²	62.1	39%	0.387	32%	0.321	S	S	.	.			trans	-86.9	-24.2	179.5	-57.6	-177.4	0	0	0	113.3	D514 V518 P533 M534	D514-L516 HydrophobicContact CB-CD2 4.47Å; L516-V518 PolarHBondContact O-N 3.02Å; L516-P533 HydrophobicContact CB-CB 4.49Å; L516-P533 CarbonylContact O-C 3.56Å; L516-P533 VanDerWaalsContact O-CA 3.31Å; L516-P533 WeakPolarHBondContact O-CA 3.36Å; L516-P533 WeakPolarHBondContact O-CB 3.25Å; L516-M534 HydrophobicContact CD2-CB 4.35Å; L516-M534 PolarHBondContact O-N 2.85Å
517	A	97.2	Very high	91.7	Very high	29 Å²	29	65 Å²	65	24%	0.24	33%	0.333	C	S	.	.			trans	-57.2	138.5	179.2	0	0	0	0	0	110.1	E485 R487 V515	E485-A517 HydrophobicContact CG-CB 4Å; R487-A517 PolarHBondContact NH1-O 3.04Å; R487-A517 PolarHBondContact NH2-O 3.45Å; V515-A517 HydrophobicContact CG1-CB 4.47Å
518	V	97.9	Very high	92.4	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.9	170.1	179.8	0	0	0	0	108.1	Y500 L502 L516 T530 V531 M534 W577	Y500-V518 HydrophobicContact CD1-CG1 4.36Å; L502-V518 HydrophobicContact CB-CG2 4.44Å; L502-V518 HydrophobicContact CD2-CG1 3.87Å; L502-V518 HydrophobicContact CD2-CG2 4.23Å; L502-V518 HydrophobicContact CG-CG1 3.89Å; L502-V518 HydrophobicContact CG-CG2 4.41Å; L516-V518 PolarHBondContact O-N 3.02Å; V518-T530 WeakPolarHBondContact O-CA 3.46Å; V518-V531 HydrophobicContact CB-CG2 3.78Å; V518-V531 HydrophobicContact CG1-CG2 3.47Å; V518-V531 VanDerWaalsContact CG1-CG2 3.47Å; V518-V531 PolarHBondContact O-N 2.86Å; V518-M534 HydrophobicContact CG2-CG 3.58Å; V518-W577 HydrophobicContact CG2-CZ2 3.95Å
519	E	97.7	Very high	93.4	Very high	1 Å²	1	61 Å²	61	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.3	-179.4	55.5	-167.5	-90.6	0	0	109.8	M483 N484 E485 R487 Y500 A501 W528 T529	M483-E519 VanDerWaalsContact CA-OE1 3.25Å; M483-E519 WeakPolarHBondContact CA-OE1 3.21Å; M483-E519 WeakPolarHBondContact CB-OE1 3.47Å; M483-E519 WeakPolarHBondContact CG-OE1 3.47Å; N484-E519 PolarHBondContact N-OE1 3.08Å; E485-E519 PolarHBondContact N-OE2 3.04Å; R487-E519 IonicContact CZ-OE2 2.7Å; R487-E519 IonicContact NE-OE2 3.34Å; R487-E519 IonicContact NH2-OE2 3.15Å; R487-E519 PolarHBondContact NH2-OE2 2.83Å; Y500-E519 CarbonylContact C-O 3.55Å; Y500-E519 WeakPolarHBondContact CA-O 3.38Å; A501-E519 HydrophobicContact CB-CG 4.16Å; A501-E519 PolarHBondContact N-O 3.45Å; A501-E519 PolarHBondContact O-N 2.92Å; E519-W528 HydrophobicContact CB-CE3 3.94Å; E519-W528 HydrophobicContact CG-CD2 4.5Å; E519-W528 HydrophobicContact CG-CE3 3.56Å; E519-W528 HydrophobicContact CG-CZ3 3.82Å; E519-T529 CarbonylContact C-O 3.59Å; E519-T529 VanDerWaalsContact CA-O 3.22Å; E519-T529 WeakPolarHBondContact CA-O 3.45Å
520	Y	97.6	Very high	94.4	Very high	36 Å²	36	59.2 Å²	59.2	14%	0.141	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.4	168.7	72	-99.2	0	0	0	111.1	R498 V499 Y500 W528 T529 V531	R498-Y520 HydrophobicContact CB-CD2 4.14Å; R498-Y520 HydrophobicContact CG-CD2 4.01Å; R498-Y520 HydrophobicContact CG-CE2 4.34Å; V499-Y520 CarbonylContact O-C 3.52Å; V499-Y520 VanDerWaalsContact O-CA 3.23Å; V499-Y520 WeakPolarHBondContact O-CA 3.48Å; Y500-Y520 AromaticContact CE1-CD1 3.97Å; Y500-Y520 HydrophobicContact CE1-CD1 3.97Å; Y500-Y520 HydrophobicContact CE1-CG 4.26Å; Y500-Y520 HydrophobicContact CE2-CG 4.33Å; Y500-Y520 AromaticContact CZ-CD1 3.99Å; Y520-W528 VanDerWaalsContact C-CE3 3.5Å; Y520-W528 CarbonylContact O-C 3.56Å; Y520-W528 WeakPolarHBondContact O-CA 3.42Å; Y520-T529 HydrophobicContact CE1-CG2 3.8Å; Y520-T529 PolarHBondContact N-O 2.86Å; Y520-T529 PolarHBondContact O-N 2.79Å; Y520-V531 HydrophobicContact CD1-CG1 3.5Å; Y520-V531 HydrophobicContact CE1-CG1 3.51Å
521	Y	98.5	Very high	95.6	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.3	173.1	175.3	-104.5	0	0	0	110.1	Y452 L467 K480 A481 R498 V499 P523 D526 Q527 W528	Y452-Y521 HydrophobicContact CD1-CD1 4.43Å; Y452-Y521 HydrophobicContact CD1-CE1 4.04Å; Y452-Y521 HydrophobicContact CE1-CD1 4.39Å; Y452-Y521 AromaticContact CE1-CE1 3.63Å; Y452-Y521 HydrophobicContact CE1-CE1 3.63Å; L467-Y521 HydrophobicContact CD2-CD1 3.8Å; L467-Y521 HydrophobicContact CD2-CD2 3.63Å; L467-Y521 HydrophobicContact CD2-CE1 3.76Å; L467-Y521 HydrophobicContact CD2-CE2 3.58Å; L467-Y521 HydrophobicContact CD2-CG 3.73Å; K480-Y521 HydrophobicContact CB-CE2 4.49Å; A481-Y521 HydrophobicContact CB-CE2 4.44Å; R498-Y521 WeakPolarHBondContact CA-O 3.43Å; V499-Y521 HydrophobicContact CB-CD1 4.5Å; V499-Y521 PolarHBondContact N-O 3.43Å; V499-Y521 PolarHBondContact O-N 3.34Å; Y521-P523 HydrophobicContact CD1-CG 4.05Å; Y521-P523 HydrophobicContact CE1-CB 4.07Å; Y521-P523 HydrophobicContact CE1-CG 3.87Å; Y521-P523 WeakPolarHBondContact O-CD 3.49Å; Y521-D526 VanDerWaalsContact CE2-OD1 3.27Å; Y521-D526 WeakPolarHBondContact CE2-OD1 3.34Å; Y521-D526 PolarHBondContact OH-OD1 2.8Å; Y521-Q527 WeakPolarHBondContact CA-O 3.44Å; Y521-W528 AromaticContact CD2-CD1 3.94Å; Y521-W528 HydrophobicContact CD2-CD2 4.18Å; Y521-W528 AromaticContact CD2-CE2 3.82Å; Y521-W528 HydrophobicContact CD2-CG 4.28Å; Y521-W528 HydrophobicContact CD2-CZ2 4.34Å; Y521-W528 AromaticContact CD2-NE1 3.62Å; Y521-W528 HydrophobicContact CG-CD2 4.42Å; Y521-W528 HydrophobicContact CG-CZ2 4.23Å
522	S	97.3	Very high	96.4	Very high	23 Å²	23	45.9 Å²	45.9	16%	0.161	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.7	171.5	176.7	0	0	0	0	109.7	E524 S525 D526 Q527	S522-E524 PolarHBondContact O-N 2.79Å; S522-S525 VanDerWaalsContact CB-OG 3.28Å; S522-S525 WeakPolarHBondContact CB-OG 3.48Å; S522-S525 PolarHBondContact O-N 2.78Å; S522-S525 PolarHBondContact OG-OG 2.69Å; S522-D526 WeakPolarHBondContact O-CA 3.38Å; S522-D526 PolarHBondContact O-N 2.83Å; S522-Q527 PolarHBondContact N-O 3.07Å
523	P	96.3	Very high	96.9	Very high	21 Å²	21	47.7 Å²	47.7	14%	0.136	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.4	178.2	-27.8	36.2	0	0	0	115.2	Q497 Y521	Q497-P523 WeakPolarHBondContact O-CD 3.21Å; Y521-P523 HydrophobicContact CD1-CG 4.05Å; Y521-P523 HydrophobicContact CE1-CB 4.07Å; Y521-P523 HydrophobicContact CE1-CG 3.87Å; Y521-P523 WeakPolarHBondContact O-CD 3.49Å
524	E	95.1	Very high	97.2	Very high	139 Å²	139	43.4 Å²	43.4	65%	0.65	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-44.3	-179.8	-68.5	-175.7	168.3	0	0	112.9	R448 S522	R448-E524 VanDerWaalsContact CZ-CG 3.41Å; R448-E524 IonicContact CZ-OE1 3.63Å; R448-E524 VanDerWaalsContact NH1-CD 3.32Å; R448-E524 IonicContact NH1-OE1 3.57Å; R448-E524 PolarHBondContact NH1-OE1 2.78Å; R448-E524 VanDerWaalsContact NH2-CG 3.3Å; R448-E524 IonicContact NH2-OE1 2.8Å; R448-E524 PolarHBondContact NH2-OE1 3.42Å; R448-E524 IonicContact NH2-OE2 3.88Å; S522-E524 PolarHBondContact O-N 2.79Å
525	S	96.6	Very high	97.2	Very high	68 Å²	68	48.6 Å²	48.6	48%	0.476	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-10.9	-177	52.8	0	0	0	0	112.7	S522 Q527	S522-S525 VanDerWaalsContact CB-OG 3.28Å; S522-S525 WeakPolarHBondContact CB-OG 3.48Å; S522-S525 PolarHBondContact O-N 2.78Å; S522-S525 PolarHBondContact OG-OG 2.69Å; S525-Q527 VanDerWaalsContact C-N 3.33Å; S525-Q527 WeakPolarHBondContact O-CG 3.33Å; S525-Q527 PolarHBondContact O-N 3.36Å
526	D	97.7	Very high	97.1	Very high	53 Å²	53	49.1 Å²	49.1	28%	0.283	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	50.8	-173.3	-168.1	17.3	0	0	0	111	K480 A481 Y521 S522	K480-D526 WeakPolarHBondContact CB-OD1 3.35Å; A481-D526 WeakPolarHBondContact CB-O 3.28Å; A481-D526 VanDerWaalsContact CB-OD1 3.27Å; A481-D526 WeakPolarHBondContact CB-OD1 3.16Å; A481-D526 PolarHBondContact N-OD1 2.95Å; Y521-D526 VanDerWaalsContact CE2-OD1 3.27Å; Y521-D526 WeakPolarHBondContact CE2-OD1 3.34Å; Y521-D526 PolarHBondContact OH-OD1 2.8Å; S522-D526 WeakPolarHBondContact O-CA 3.38Å; S522-D526 PolarHBondContact O-N 2.83Å
527	Q	97.9	Very high	97	Very high	116 Å²	116	45.8 Å²	45.8	54%	0.542	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.2	-176.6	-67	-62	-61.9	0	0	112	Y521 S522 S525	Y521-Q527 WeakPolarHBondContact CA-O 3.44Å; S522-Q527 PolarHBondContact N-O 3.07Å; S525-Q527 VanDerWaalsContact C-N 3.33Å; S525-Q527 WeakPolarHBondContact O-CG 3.33Å; S525-Q527 PolarHBondContact O-N 3.36Å
528	W	98.4	Very high	96.9	Very high	19 Å²	19	44.6 Å²	44.6	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.7	171.8	-70	90.9	0	0	0	111.2	L467 A481 P482 M483 A501 E519 Y520 Y521	L467-W528 HydrophobicContact CB-CZ2 4.43Å; L467-W528 HydrophobicContact CD1-CZ2 4.14Å; L467-W528 HydrophobicContact CD2-CZ2 3.82Å; L467-W528 HydrophobicContact CG-CZ2 4.36Å; A481-W528 PolarHBondContact O-NE1 2.75Å; P482-W528 PolarHBondContact O-NE1 3.27Å; M483-W528 HydrophobicContact CB-CZ2 4.47Å; M483-W528 HydrophobicContact CG-CD2 4.06Å; M483-W528 HydrophobicContact CG-CE3 4.29Å; M483-W528 HydrophobicContact CG-CH2 3.57Å; M483-W528 HydrophobicContact CG-CZ2 3.28Å; M483-W528 HydrophobicContact CG-CZ3 4.07Å; M483-W528 HydrophobicContact SD-CH2 4.05Å; M483-W528 HydrophobicContact SD-CZ2 4.27Å; A501-W528 HydrophobicContact CB-CH2 4.03Å; A501-W528 HydrophobicContact CB-CZ3 3.78Å; E519-W528 HydrophobicContact CB-CE3 3.94Å; E519-W528 HydrophobicContact CG-CD2 4.5Å; E519-W528 HydrophobicContact CG-CE3 3.56Å; E519-W528 HydrophobicContact CG-CZ3 3.82Å; Y520-W528 VanDerWaalsContact C-CE3 3.5Å; Y520-W528 CarbonylContact O-C 3.56Å; Y520-W528 WeakPolarHBondContact O-CA 3.42Å; Y521-W528 AromaticContact CD2-CD1 3.94Å; Y521-W528 HydrophobicContact CD2-CD2 4.18Å; Y521-W528 AromaticContact CD2-CE2 3.82Å; Y521-W528 HydrophobicContact CD2-CG 4.28Å; Y521-W528 HydrophobicContact CD2-CZ2 4.34Å; Y521-W528 AromaticContact CD2-NE1 3.62Å; Y521-W528 HydrophobicContact CG-CD2 4.42Å; Y521-W528 HydrophobicContact CG-CZ2 4.23Å
529	T	97.8	Very high	96.8	Very high	59 Å²	59	44.6 Å²	44.6	36%	0.362	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.8	176.9	-60.7	0	0	0	0	109.8	E519 Y520	E519-T529 CarbonylContact C-O 3.59Å; E519-T529 VanDerWaalsContact CA-O 3.22Å; E519-T529 WeakPolarHBondContact CA-O 3.45Å; Y520-T529 HydrophobicContact CE1-CG2 3.8Å; Y520-T529 PolarHBondContact N-O 2.86Å; Y520-T529 PolarHBondContact O-N 2.79Å
530	T	97.9	Very high	96.6	Very high	90 Å²	90	45.5 Å²	45.5	55%	0.552	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	141	176.2	-54.2	0	0	0	0	110.8	V518	V518-T530 WeakPolarHBondContact O-CA 3.46Å
531	V	97.6	Very high	96.6	Very high	18 Å²	18	44.8 Å²	44.8	11%	0.109	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	-175.9	178.7	-64	0	0	0	0	110.2	Y500 V518 Y520 Y570 D575	Y500-V531 HydrophobicContact CE1-CG2 4.42Å; V518-V531 HydrophobicContact CB-CG2 3.78Å; V518-V531 HydrophobicContact CG1-CG2 3.47Å; V518-V531 VanDerWaalsContact CG1-CG2 3.47Å; V518-V531 PolarHBondContact O-N 2.86Å; Y520-V531 HydrophobicContact CD1-CG1 3.5Å; Y520-V531 HydrophobicContact CE1-CG1 3.51Å; V531-Y570 WeakPolarHBondContact CB-OH 3.3Å; V531-Y570 WeakPolarHBondContact CG2-OH 3.46Å; V531-D575 WeakPolarHBondContact CB-OD1 3.42Å
532	S	97.8	Very high	96.4	Very high	39 Å²	39	44.8 Å²	44.8	27%	0.273	25%	0.248	S	C	.	.	S	Bend	trans	-51.7	125.7	-176.6	-74.4	0	0	0	0	112.6	D575 W577	S532-D575 WeakPolarHBondContact CB-O 3.3Å; S532-D575 WeakPolarHBondContact CB-OD1 3.4Å; S532-D575 PolarHBondContact N-OD1 2.83Å; S532-D575 PolarHBondContact N-OD2 2.87Å; S532-D575 PolarHBondContact OG-O 3.46Å; S532-D575 PolarHBondContact OG-OD1 3.03Å; S532-W577 PolarHBondContact O-NE1 3.44Å; S532-W577 VanDerWaalsContact O-NE1 3.14Å
533	P	97.5	Very high	96.4	Very high	77 Å²	77	45.1 Å²	45.1	50%	0.5	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-70.8	154.6	-175.9	30.7	-36.2	0	0	0	112.1	L516 W577	L516-P533 HydrophobicContact CB-CB 4.49Å; L516-P533 CarbonylContact O-C 3.56Å; L516-P533 VanDerWaalsContact O-CA 3.31Å; L516-P533 WeakPolarHBondContact O-CA 3.36Å; L516-P533 WeakPolarHBondContact O-CB 3.25Å; P533-W577 PolarHBondContact O-NE1 3.02Å
534	M	96.3	Very high	96.4	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.03	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-58.4	147.1	172.2	-58.3	-174.2	66.9	0	0	111.1	L502 G503 L516 V518 Q538 I552 Q568 W577	L502-M534 HydrophobicContact CB-SD 4.27Å; G503-M534 WeakPolarHBondContact CA-SD 3.5Å; G503-M534 PolarHBondContact N-SD 2.87Å; L516-M534 HydrophobicContact CD2-CB 4.35Å; L516-M534 PolarHBondContact O-N 2.85Å; V518-M534 HydrophobicContact CG2-CG 3.58Å; M534-Q538 HydrophobicContact CE-CB 4.12Å; M534-I552 HydrophobicContact CE-CB 4.47Å; M534-I552 HydrophobicContact CE-CG1 4.32Å; M534-I552 HydrophobicContact CE-CG2 4.12Å; M534-Q568 VanDerWaalsContact CE-NE2 3.33Å; M534-W577 HydrophobicContact CB-CH2 4.28Å; M534-W577 HydrophobicContact CB-CZ2 4.08Å; M534-W577 HydrophobicContact CE-CH2 4.36Å; M534-W577 HydrophobicContact CG-CH2 3.66Å; M534-W577 HydrophobicContact CG-CZ2 3.6Å
535	R	95	Very high	96.4	Very high	139 Å²	139	40 Å²	40	53%	0.525	23%	0.226	S	C	.	.	S	Bend	trans	-80.6	-28.1	178	-63.8	-177.6	171.4	157.3	6.7	112.9	W577 E578 D580	R535-W577 HydrophobicContact CG-CB 4.43Å; R535-W577 HydrophobicContact CG-CG 4.45Å; R535-W577 PolarHBondContact NH2-O 3.38Å; R535-E578 PolarHBondContact NH1-O 3.21Å; R535-D580 IonicContact NH1-OD1 2.69Å
536	A	94.2	Very high	96.2	Very high	23 Å²	23	36.8 Å²	36.8	19%	0.19	20%	0.203	C	C	.	.	S	Bend	trans	-137.2	150.9	175.9	0	0	0	0	0	111	Q568	A536-Q568 PolarHBondContact O-NE2 3Å
537	G	94.3	Very high	95.7	Very high	4 Å²	4	39.3 Å²	39.3	4%	0.041	22%	0.217	C	C	.	.			trans	-71.6	128.5	173.4	0	0	0	0	0	111.9	N557	G537-N557 PolarHBondContact O-ND2 3.13Å
538	Q	95.4	Very high	95.2	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.019	20%	0.203	C	C	.	.			trans	-139.6	112	175.4	-71.1	178	-74.4	0	0	109.5	G504 M534 A541 I552 G554 T564 I566	G504-Q538 PolarHBondContact N-O 3.15Å; M534-Q538 HydrophobicContact CE-CB 4.12Å; Q538-A541 HydrophobicContact CB-CB 4.11Å; Q538-I552 HydrophobicContact CB-CG2 4.01Å; Q538-I552 HydrophobicContact CG-CG2 4.42Å; Q538-I552 PolarHBondContact NE2-O 3.23Å; Q538-I552 VanDerWaalsContact OE1-CG2 3.23Å; Q538-G554 WeakPolarHBondContact CG-O 3.44Å; Q538-G554 PolarHBondContact NE2-O 2.93Å; Q538-T564 HydrophobicContact CG-CG2 4.23Å; Q538-I566 PolarHBondContact NE2-O 2.98Å
539	S	95.3	Very high	95	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-103.9	156.1	164.9	-59.9	0	0	0	0	110.2	G504 R505 A541 G555 Y556 W558	G504-S539 WeakPolarHBondContact CA-OG 3.41Å; G504-S539 PolarHBondContact O-OG 3.25Å; R505-S539 PolarHBondContact N-OG 2.93Å; S539-A541 PolarHBondContact O-N 2.91Å; S539-A541 VanDerWaalsContact O-N 3.07Å; S539-G555 CarbonylContact O-C 3.56Å; S539-G555 WeakPolarHBondContact O-CA 3.29Å; S539-Y556 PolarHBondContact N-O 2.93Å; S539-Y556 PolarHBondContact O-N 2.98Å; S539-W558 VanDerWaalsContact OG-CD1 3.3Å; S539-W558 PolarHBondContact OG-NE1 3.09Å
540	E	94.8	Very high	94.9	Very high	20 Å²	20	34 Å²	34	9%	0.093	19%	0.193	C	C	.	.	S	Bend	trans	56.6	27.1	176.1	-50.5	174.3	-147.5	0	0	112.9	H342 L489 A588 G589	H342-E540 IonicContact CD2-OE2 2.62Å; H342-E540 IonicContact CE1-OE2 2.93Å; H342-E540 PolarHBondContact CE1-OE2 3.11Å; H342-E540 IonicContact NE2-OE2 3.09Å; H342-E540 PolarHBondContact NE2-OE2 3.21Å; L489-E540 HydrophobicContact CB-CG 3.9Å; L489-E540 HydrophobicContact CD1-CG 3.95Å; L489-E540 WeakPolarHBondContact CD1-OE1 3.24Å; L489-E540 HydrophobicContact CD2-CG 4.27Å; L489-E540 HydrophobicContact CG-CG 4.25Å; L489-E540 PolarHBondContact O-N 3.38Å; E540-A588 HydrophobicContact CB-CB 4.3Å; E540-G589 WeakPolarHBondContact O-CA 3.35Å; E540-G589 PolarHBondContact O-N 3.19Å
541	A	96	Very high	94.8	Very high	21 Å²	21	30 Å²	30	17%	0.174	17%	0.168	C	C	.	.			trans	-82.7	152.9	179.5	0	0	0	0	0	111	Q538 S539 I552 I553	Q538-A541 HydrophobicContact CB-CB 4.11Å; S539-A541 PolarHBondContact O-N 2.91Å; S539-A541 VanDerWaalsContact O-N 3.07Å; A541-I552 HydrophobicContact CB-CG2 3.51Å; A541-I553 WeakPolarHBondContact CA-O 3.45Å; A541-I553 WeakPolarHBondContact CB-O 3.49Å
542	G	96.3	Very high	94.8	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139	162.6	0	0	0	0	0	109.3	I552 I553 I590 S592	G542-I552 CarbonylContact O-C 3.53Å; G542-I552 WeakPolarHBondContact O-CA 3.36Å; G542-I553 PolarHBondContact N-O 2.8Å; G542-I553 PolarHBondContact O-N 3.22Å; G542-I590 VanDerWaalsContact CA-O 3.27Å; G542-I590 WeakPolarHBondContact CA-O 3.39Å; G542-I590 PolarHBondContact N-O 3.4Å; G542-S592 VanDerWaalsContact C-OG 3.29Å; G542-S592 WeakPolarHBondContact CA-OG 3.1Å
543	C	96.6	Very high	94.7	Very high	29 Å²	29	27.4 Å²	27.4	20%	0.196	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.1	177.2	-178.9	0	0	0	0	110	A491 Y551 I552 S592	A491-C543 HydrophobicContact CB-CB 3.46Å; A491-C543 VanDerWaalsContact CB-CB 3.46Å; C543-Y551 VanDerWaalsContact CA-O 3.31Å; C543-Y551 WeakPolarHBondContact CA-O 3.18Å; C543-I552 HydrophobicContact CB-CD1 3.95Å; C543-I552 VanDerWaalsContact SG-CD1 3.54Å; C543-S592 PolarHBondContact N-OG 3.19Å; C543-S592 PolarHBondContact O-OG 2.82Å
544	C	96.1	Very high	94.6	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.034	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	165.5	171.3	66.5	0	0	0	0	112.7	L300 I493 Y551	L300-C544 WeakPolarHBondContact CD1-SG 3.12Å; L300-C544 VanDerWaalsContact CG-SG 3.52Å; I493-C544 VanDerWaalsContact CD1-CA 3.46Å; C544-Y551 PolarHBondContact N-O 3.22Å; C544-Y551 VanDerWaalsContact N-O 3.16Å; C544-Y551 PolarHBondContact O-N 3.25Å
545	L	94.5	Very high	94.6	Very high	48 Å²	48	23.5 Å²	23.5	25%	0.251	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.1	-178.9	-176.3	66.4	0	0	0	108.3	I493 K549 V550 P594	I493-L545 HydrophobicContact CD1-CB 3.58Å; I493-L545 HydrophobicContact CG1-CB 4.23Å; L545-K549 WeakPolarHBondContact CA-O 3.37Å; L545-V550 HydrophobicContact CD1-CG2 4.12Å; L545-P594 WeakPolarHBondContact O-CG 3.45Å
546	L	92.3	Very high	94.5	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.6	174.9	179.8	77.1	0	0	0	107.9	L298 L300 A325 A548 K549 Y551 P594	L298-L546 HydrophobicContact CB-CD1 4.22Å; L298-L546 HydrophobicContact CD2-CD1 3.65Å; L298-L546 HydrophobicContact CG-CD1 3.63Å; L300-L546 HydrophobicContact CB-CD2 4.25Å; A325-L546 HydrophobicContact CB-CD2 4.3Å; L546-A548 VanDerWaalsContact C-N 3.33Å; L546-A548 PolarHBondContact O-N 2.96Å; L546-K549 PolarHBondContact N-O 2.96Å; L546-K549 WeakPolarHBondContact O-CA 3.4Å; L546-K549 WeakPolarHBondContact O-CB 3.13Å; L546-K549 PolarHBondContact O-N 2.83Å; L546-K549 VanDerWaalsContact O-O 3.1Å; L546-Y551 HydrophobicContact CB-CD2 3.9Å; L546-Y551 HydrophobicContact CB-CE2 3.67Å; L546-Y551 HydrophobicContact CD2-CE2 4Å; L546-Y551 HydrophobicContact CG-CE2 4.31Å; L546-P594 HydrophobicContact CD1-CB 4.19Å
547	D	87.5	Confident	94.5	Very high	105 Å²	105	17.5 Å²	17.5	56%	0.561	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	50.7	179	-58.2	-28.1	0	0	0	113.9	K549	D547-K549 PolarHBondContact O-N 3.14Å; D547-K549 VanDerWaalsContact O-N 3.1Å
548	A	87.9	Confident	94.3	Very high	31 Å²	31	19.7 Å²	19.7	26%	0.256	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	10	-177.1	0	0	0	0	0	116	L546 T572	L546-A548 VanDerWaalsContact C-N 3.33Å; L546-A548 PolarHBondContact O-N 2.96Å; A548-T572 PolarHBondContact O-OG1 3.12Å
549	K	93.8	Very high	94.1	Very high	51 Å²	51	27.2 Å²	27.2	22%	0.222	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.6	176	-59.7	175.9	-169.3	178.3	0	111.2	L545 L546 D547 Y551 V569 Y570 N571 E578	L545-K549 WeakPolarHBondContact CA-O 3.37Å; L546-K549 PolarHBondContact N-O 2.96Å; L546-K549 WeakPolarHBondContact O-CA 3.4Å; L546-K549 WeakPolarHBondContact O-CB 3.13Å; L546-K549 PolarHBondContact O-N 2.83Å; L546-K549 VanDerWaalsContact O-O 3.1Å; D547-K549 PolarHBondContact O-N 3.14Å; D547-K549 VanDerWaalsContact O-N 3.1Å; K549-Y551 HydrophobicContact CB-CD2 4.45Å; K549-Y551 HydrophobicContact CB-CE2 3.9Å; K549-Y551 WeakPolarHBondContact O-CD2 3.31Å; K549-V569 HydrophobicContact CB-CG1 3.84Å; K549-V569 HydrophobicContact CD-CG1 3.93Å; K549-V569 HydrophobicContact CG-CG1 4.4Å; K549-Y570 CarbonylContact C-O 3.58Å; K549-Y570 VanDerWaalsContact CA-O 3.27Å; K549-Y570 WeakPolarHBondContact CA-O 3.22Å; K549-N571 HydrophobicContact CG-CB 4.39Å; K549-E578 WeakPolarHBondContact CE-OE1 3.33Å; K549-E578 IonicContact NZ-OE1 3.97Å; K549-E578 PolarHBondContact NZ-OE1 3.46Å; K549-E578 IonicContact NZ-OE2 3.66Å
550	V	96.1	Very high	93.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	123.9	176.4	179.2	0	0	0	0	108.8	I493 L502 L545 I552 V569 Y570 T572	I493-V550 HydrophobicContact CG2-CG1 3.96Å; I493-V550 HydrophobicContact CG2-CG2 3.72Å; L502-V550 HydrophobicContact CD1-CG1 4.24Å; L502-V550 HydrophobicContact CD2-CG1 4.15Å; L545-V550 HydrophobicContact CD1-CG2 4.12Å; V550-I552 HydrophobicContact CG1-CD1 3.85Å; V550-I552 HydrophobicContact CG1-CG1 4.38Å; V550-V569 CarbonylContact O-C 3.49Å; V550-V569 WeakPolarHBondContact O-CA 3.38Å; V550-Y570 PolarHBondContact N-O 3.48Å; V550-Y570 PolarHBondContact O-N 2.87Å; V550-T572 HydrophobicContact CG2-CG2 3.72Å
551	Y	96.6	Very high	93.6	Very high	7 Å²	7	37 Å²	37	3%	0.027	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.7	176.4	-74.3	-108.2	0	0	0	109.2	L300 L322 C543 C544 L546 K549 V567 V569 L581	L300-Y551 HydrophobicContact CD1-CD1 3.75Å; L300-Y551 HydrophobicContact CD1-CD2 4.2Å; L300-Y551 HydrophobicContact CD1-CE1 4.47Å; L300-Y551 HydrophobicContact CD1-CG 3.6Å; L322-Y551 HydrophobicContact CD2-CE1 4.17Å; C543-Y551 VanDerWaalsContact CA-O 3.31Å; C543-Y551 WeakPolarHBondContact CA-O 3.18Å; C544-Y551 PolarHBondContact N-O 3.22Å; C544-Y551 VanDerWaalsContact N-O 3.16Å; C544-Y551 PolarHBondContact O-N 3.25Å; L546-Y551 HydrophobicContact CB-CD2 3.9Å; L546-Y551 HydrophobicContact CB-CE2 3.67Å; L546-Y551 HydrophobicContact CD2-CE2 4Å; L546-Y551 HydrophobicContact CG-CE2 4.31Å; K549-Y551 HydrophobicContact CB-CD2 4.45Å; K549-Y551 HydrophobicContact CB-CE2 3.9Å; K549-Y551 WeakPolarHBondContact O-CD2 3.31Å; Y551-V567 HydrophobicContact CD1-CG1 4.08Å; Y551-V569 HydrophobicContact CD1-CG2 3.66Å; Y551-V569 HydrophobicContact CD2-CG1 4.41Å; Y551-V569 HydrophobicContact CE1-CG1 4.2Å; Y551-V569 HydrophobicContact CE1-CG2 3.55Å; Y551-V569 HydrophobicContact CE2-CG1 4Å; Y551-V569 HydrophobicContact CG-CG2 4.32Å; Y551-L581 HydrophobicContact CE1-CD2 4.4Å
552	I	97	Very high	93.3	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.9	173.4	-51.8	-62.2	0	0	0	108.8	A491 L502 M534 Q538 A541 G542 C543 V550 V567 Q568	A491-I552 HydrophobicContact CB-CD1 4.39Å; L502-I552 HydrophobicContact CB-CD1 4.34Å; L502-I552 HydrophobicContact CD2-CD1 4.45Å; M534-I552 HydrophobicContact CE-CB 4.47Å; M534-I552 HydrophobicContact CE-CG1 4.32Å; M534-I552 HydrophobicContact CE-CG2 4.12Å; Q538-I552 HydrophobicContact CB-CG2 4.01Å; Q538-I552 HydrophobicContact CG-CG2 4.42Å; Q538-I552 PolarHBondContact NE2-O 3.23Å; Q538-I552 VanDerWaalsContact OE1-CG2 3.23Å; A541-I552 HydrophobicContact CB-CG2 3.51Å; G542-I552 CarbonylContact O-C 3.53Å; G542-I552 WeakPolarHBondContact O-CA 3.36Å; C543-I552 HydrophobicContact CB-CD1 3.95Å; C543-I552 VanDerWaalsContact SG-CD1 3.54Å; V550-I552 HydrophobicContact CG1-CD1 3.85Å; V550-I552 HydrophobicContact CG1-CG1 4.38Å; I552-V567 CarbonylContact O-C 3.56Å; I552-V567 VanDerWaalsContact O-CA 3.24Å; I552-V567 WeakPolarHBondContact O-CA 3Å; I552-Q568 HydrophobicContact CB-CB 4.47Å; I552-Q568 PolarHBondContact N-O 3.43Å; I552-Q568 PolarHBondContact O-N 3.04Å
553	I	96.1	Very high	93.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.3	-165.1	-52.2	171.3	0	0	0	110.4	L300 T302 F330 A541 G542 V567 F583 I590	L300-I553 HydrophobicContact CD1-CD1 3.94Å; L300-I553 HydrophobicContact CD2-CD1 3.37Å; L300-I553 HydrophobicContact CG-CD1 4.24Å; T302-I553 HydrophobicContact CG2-CD1 3.72Å; T302-I553 HydrophobicContact CG2-CG2 4.3Å; F330-I553 HydrophobicContact CZ-CD1 4.38Å; A541-I553 WeakPolarHBondContact CA-O 3.45Å; A541-I553 WeakPolarHBondContact CB-O 3.49Å; G542-I553 PolarHBondContact N-O 2.8Å; G542-I553 PolarHBondContact O-N 3.22Å; I553-V567 HydrophobicContact CB-CG2 4.38Å; I553-V567 HydrophobicContact CG1-CG1 4Å; I553-V567 HydrophobicContact CG1-CG2 4.34Å; I553-V567 HydrophobicContact CG2-CG2 3.94Å; I553-F583 HydrophobicContact CG2-CB 4.18Å; I553-F583 HydrophobicContact CG2-CD1 4.39Å; I553-F583 HydrophobicContact CG2-CD2 3.84Å; I553-F583 HydrophobicContact CG2-CE2 4.38Å; I553-F583 HydrophobicContact CG2-CG 3.88Å; I553-I590 HydrophobicContact CG2-CD1 4.09Å; I553-I590 WeakPolarHBondContact O-CD1 3.37Å
554	G	95.3	Very high	93	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.			trans	63.2	-132.4	175.2	0	0	0	0	0	113.1	Q538 T564 I566	Q538-G554 WeakPolarHBondContact CG-O 3.44Å; Q538-G554 PolarHBondContact NE2-O 2.93Å; G554-T564 WeakPolarHBondContact CA-O 3.39Å; G554-T564 WeakPolarHBondContact O-CG2 3.24Å; G554-I566 PolarHBondContact N-O 2.65Å
555	G	94.7	Very high	92.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.			trans	90.9	-168.5	-177.3	0	0	0	0	0	113.7	S539 V563 T564 F587	S539-G555 CarbonylContact O-C 3.56Å; S539-G555 WeakPolarHBondContact O-CA 3.29Å; G555-V563 WeakPolarHBondContact O-CA 3.34Å; G555-T564 PolarHBondContact O-N 3.48Å; G555-F587 PolarHBondContact N-O 2.99Å
556	Y	93.6	Very high	92.8	Very high	22 Å²	22	40.8 Å²	40.8	9%	0.086	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.2	-178.3	-164.1	-90.9	0	0	0	110.5	Y308 S539 W558 N561 V563	Y308-Y556 HydrophobicContact CD2-CD2 4.5Å; S539-Y556 PolarHBondContact N-O 2.93Å; S539-Y556 PolarHBondContact O-N 2.98Å; Y556-W558 AromaticContact CD1-CD2 3.76Å; Y556-W558 HydrophobicContact CD1-CD2 3.76Å; Y556-W558 AromaticContact CD1-CE2 3.57Å; Y556-W558 HydrophobicContact CD1-CE3 4.16Å; Y556-W558 HydrophobicContact CD1-CG 4.13Å; Y556-W558 HydrophobicContact CD1-CH2 4.11Å; Y556-W558 AromaticContact CD1-CZ2 3.76Å; Y556-W558 HydrophobicContact CD1-CZ2 3.76Å; Y556-W558 HydrophobicContact CD1-CZ3 4.35Å; Y556-W558 AromaticContact CD1-NE1 3.9Å; Y556-W558 AromaticContact CE1-CD2 3.84Å; Y556-W558 HydrophobicContact CE1-CD2 3.84Å; Y556-W558 AromaticContact CE1-CE3 3.77Å; Y556-W558 HydrophobicContact CE1-CE3 3.77Å; Y556-W558 HydrophobicContact CE1-CG 4.39Å; Y556-W558 AromaticContact CE1-CH2 3.99Å; Y556-W558 HydrophobicContact CE1-CH2 3.99Å; Y556-W558 HydrophobicContact CE1-CZ2 4.12Å; Y556-W558 AromaticContact CE1-CZ3 3.88Å; Y556-W558 HydrophobicContact CE1-CZ3 3.88Å; Y556-N561 VanDerWaalsContact OH-C 3.26Å; Y556-N561 WeakPolarHBondContact OH-CA 3.38Å; Y556-N561 VanDerWaalsContact OH-CG 3.3Å; Y556-N561 PolarHBondContact OH-O 2.98Å; Y556-N561 PolarHBondContact OH-OD1 3.04Å; Y556-V563 HydrophobicContact CD2-CG1 4.01Å
557	N	94	Very high	93	Very high	15 Å²	15	40.8 Å²	40.8	8%	0.08	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.7	174.3	-173.7	-73.1	0	0	0	109.3	G537 H559 L560 N561 N562	G537-N557 PolarHBondContact O-ND2 3.13Å; N557-H559 WeakPolarHBondContact OD1-CB 3.1Å; N557-H559 PolarHBondContact OD1-N 3.4Å; N557-L560 HydrophobicContact CB-CB 4.33Å; N557-L560 WeakPolarHBondContact OD1-CB 3.35Å; N557-L560 WeakPolarHBondContact OD1-CG 3.37Å; N557-L560 PolarHBondContact OD1-N 3.07Å; N557-N561 WeakPolarHBondContact O-CA 3.37Å; N557-N561 PolarHBondContact O-N 2.92Å; N557-N562 PolarHBondContact N-O 2.95Å; N557-N562 PolarHBondContact O-N 2.78Å
558	W	91.4	Very high	93.4	Very high	50 Å²	50	36 Å²	36	19%	0.189	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-30.5	-174.9	-69.8	92.2	0	0	0	113.2	R505 C512 D514 S539 Y556	R505-W558 HydrophobicContact CB-CG 4.26Å; R505-W558 VanDerWaalsContact CD-CZ2 3.5Å; C512-W558 HydrophobicContact CB-CB 4.39Å; C512-W558 HydrophobicContact CB-CD2 3.68Å; C512-W558 HydrophobicContact CB-CE3 3.4Å; C512-W558 HydrophobicContact CB-CG 4.09Å; C512-W558 HydrophobicContact CB-CZ3 4.07Å; D514-W558 PolarHBondContact OD1-N 3.22Å; D514-W558 PolarHBondContact OD2-N 2.83Å; D514-W558 VanDerWaalsContact OD2-N 3.14Å; S539-W558 VanDerWaalsContact OG-CD1 3.3Å; S539-W558 PolarHBondContact OG-NE1 3.09Å; Y556-W558 AromaticContact CD1-CD2 3.76Å; Y556-W558 HydrophobicContact CD1-CD2 3.76Å; Y556-W558 AromaticContact CD1-CE2 3.57Å; Y556-W558 HydrophobicContact CD1-CE3 4.16Å; Y556-W558 HydrophobicContact CD1-CG 4.13Å; Y556-W558 HydrophobicContact CD1-CH2 4.11Å; Y556-W558 AromaticContact CD1-CZ2 3.76Å; Y556-W558 HydrophobicContact CD1-CZ2 3.76Å; Y556-W558 HydrophobicContact CD1-CZ3 4.35Å; Y556-W558 AromaticContact CD1-NE1 3.9Å; Y556-W558 AromaticContact CE1-CD2 3.84Å; Y556-W558 HydrophobicContact CE1-CD2 3.84Å; Y556-W558 AromaticContact CE1-CE3 3.77Å; Y556-W558 HydrophobicContact CE1-CE3 3.77Å; Y556-W558 HydrophobicContact CE1-CG 4.39Å; Y556-W558 AromaticContact CE1-CH2 3.99Å; Y556-W558 HydrophobicContact CE1-CH2 3.99Å; Y556-W558 HydrophobicContact CE1-CZ2 4.12Å; Y556-W558 AromaticContact CE1-CZ3 3.88Å; Y556-W558 HydrophobicContact CE1-CZ3 3.88Å
559	H	89.6	Confident	93.8	Very high	162 Å²	162	34.7 Å²	34.7	75%	0.75	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-43.3	176	-176.7	67.5	0	0	0	112.4	D514 N557	D514-H559 WeakPolarHBondContact OD2-CB 3.32Å; D514-H559 PolarHBondContact OD2-N 3.17Å; N557-H559 WeakPolarHBondContact OD1-CB 3.1Å; N557-H559 PolarHBondContact OD1-N 3.4Å
560	L	90.1	Very high	93.9	Very high	112 Å²	112	32.4 Å²	32.4	59%	0.586	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-13	179.9	-60.9	178.9	0	0	0	113.2	N557 N562	N557-L560 HydrophobicContact CB-CB 4.33Å; N557-L560 WeakPolarHBondContact OD1-CB 3.35Å; N557-L560 WeakPolarHBondContact OD1-CG 3.37Å; N557-L560 PolarHBondContact OD1-N 3.07Å; L560-N562 VanDerWaalsContact C-N 3.33Å; L560-N562 WeakPolarHBondContact CB-OD1 3.39Å; L560-N562 PolarHBondContact O-N 2.84Å
561	N	89.8	Confident	93.9	Very high	113 Å²	113	33.6 Å²	33.6	60%	0.604	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	43.9	-179.6	-169.1	73.1	0	0	0	112.7	Y556 N557	Y556-N561 VanDerWaalsContact OH-C 3.26Å; Y556-N561 WeakPolarHBondContact OH-CA 3.38Å; Y556-N561 VanDerWaalsContact OH-CG 3.3Å; Y556-N561 PolarHBondContact OH-O 2.98Å; Y556-N561 PolarHBondContact OH-OD1 3.04Å; N557-N561 WeakPolarHBondContact O-CA 3.37Å; N557-N561 PolarHBondContact O-N 2.92Å
562	N	91.2	Very high	93.7	Very high	73 Å²	73	33.8 Å²	33.8	39%	0.39	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	162.1	179.4	69.3	-9.8	0	0	0	112.6	N557 L560	N557-N562 PolarHBondContact N-O 2.95Å; N557-N562 PolarHBondContact O-N 2.78Å; L560-N562 VanDerWaalsContact C-N 3.33Å; L560-N562 WeakPolarHBondContact CB-OD1 3.39Å; L560-N562 PolarHBondContact O-N 2.84Å
563	V	91.9	Very high	93.5	Very high	20 Å²	20	39.9 Å²	39.9	12%	0.121	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	147.4	162.6	-72.9	0	0	0	0	109.9	P307 Y308 G555 Y556 S586 A588	P307-V563 VanDerWaalsContact O-CG2 3.25Å; P307-V563 WeakPolarHBondContact O-CG2 3.46Å; Y308-V563 HydrophobicContact CD2-CG1 3.58Å; Y308-V563 HydrophobicContact CG-CG1 4.02Å; G555-V563 WeakPolarHBondContact O-CA 3.34Å; Y556-V563 HydrophobicContact CD2-CG1 4.01Å; V563-S586 WeakPolarHBondContact CG2-O 3.27Å; V563-A588 HydrophobicContact CG1-CB 3.9Å
564	T	92.8	Very high	93.5	Very high	16 Å²	16	43.4 Å²	43.4	10%	0.098	22%	0.223	C	C	.	.			trans	-119.6	152.6	-179.3	-176.7	0	0	0	0	111.3	Q538 G554 G555 I566	Q538-T564 HydrophobicContact CG-CG2 4.23Å; G554-T564 WeakPolarHBondContact CA-O 3.39Å; G554-T564 WeakPolarHBondContact O-CG2 3.24Å; G555-T564 PolarHBondContact O-N 3.48Å; T564-I566 WeakPolarHBondContact OG1-CB 3.39Å; T564-I566 WeakPolarHBondContact OG1-CD1 3.44Å; T564-I566 WeakPolarHBondContact OG1-CG1 3.32Å; T564-I566 PolarHBondContact OG1-N 2.79Å; T564-I566 VanDerWaalsContact OG1-N 3.09Å
565	S	93.7	Very high	93.5	Very high	29 Å²	29	46 Å²	46	20%	0.203	24%	0.236	C	C	.	.			trans	-100.1	4.8	168.9	59	0	0	0	0	112.6	F583 E585 S586	S565-F583 WeakPolarHBondContact CB-O 3.31Å; S565-F583 WeakPolarHBondContact O-CB 3.35Å; S565-F583 PolarHBondContact O-N 3.09Å; S565-E585 VanDerWaalsContact CB-O 3.31Å; S565-E585 WeakPolarHBondContact CB-O 3.16Å; S565-S586 WeakPolarHBondContact CB-OG 3.24Å; S565-S586 PolarHBondContact N-OG 3.12Å
566	I	94.5	Very high	93.6	Very high	47 Å²	47	52 Å²	52	24%	0.241	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	140.2	-178.2	-63.9	165.4	0	0	0	110.1	Q538 G554 T564 Q568	Q538-I566 PolarHBondContact NE2-O 2.98Å; G554-I566 PolarHBondContact N-O 2.65Å; T564-I566 WeakPolarHBondContact OG1-CB 3.39Å; T564-I566 WeakPolarHBondContact OG1-CD1 3.44Å; T564-I566 WeakPolarHBondContact OG1-CG1 3.32Å; T564-I566 PolarHBondContact OG1-N 2.79Å; T564-I566 VanDerWaalsContact OG1-N 3.09Å; I566-Q568 HydrophobicContact CG2-CG 3.9Å
567	V	95.8	Very high	93.7	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113	167.5	-176.8	0	0	0	0	108.7	F330 Y551 I552 I553 V569 L581 F583	F330-V567 HydrophobicContact CE2-CG2 4.11Å; Y551-V567 HydrophobicContact CD1-CG1 4.08Å; I552-V567 CarbonylContact O-C 3.56Å; I552-V567 VanDerWaalsContact O-CA 3.24Å; I552-V567 WeakPolarHBondContact O-CA 3Å; I553-V567 HydrophobicContact CB-CG2 4.38Å; I553-V567 HydrophobicContact CG1-CG1 4Å; I553-V567 HydrophobicContact CG1-CG2 4.34Å; I553-V567 HydrophobicContact CG2-CG2 3.94Å; V567-V569 HydrophobicContact CG1-CG2 4.37Å; V567-L581 WeakPolarHBondContact CA-O 3.44Å; V567-L581 HydrophobicContact CB-CB 3.88Å; V567-L581 HydrophobicContact CB-CD2 4.19Å; V567-L581 HydrophobicContact CB-CG 3.96Å; V567-L581 WeakPolarHBondContact CB-O 3.43Å; V567-L581 HydrophobicContact CG1-CB 4.3Å; V567-L581 HydrophobicContact CG1-CD2 3.96Å; V567-L581 HydrophobicContact CG1-CG 4.3Å; V567-L581 HydrophobicContact CG2-CG 4.38Å; V567-L581 PolarHBondContact N-O 3.48Å; V567-L581 PolarHBondContact O-N 2.85Å; V567-F583 HydrophobicContact CG2-CB 3.91Å
568	Q	96.3	Very high	93.6	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.019	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.3	174.8	-63.1	-173.3	79.7	0	0	109.6	M534 A536 I552 I566 W577	M534-Q568 VanDerWaalsContact CE-NE2 3.33Å; A536-Q568 PolarHBondContact O-NE2 3Å; I552-Q568 HydrophobicContact CB-CB 4.47Å; I552-Q568 PolarHBondContact N-O 3.43Å; I552-Q568 PolarHBondContact O-N 3.04Å; I566-Q568 HydrophobicContact CG2-CG 3.9Å; Q568-W577 HydrophobicContact CB-CE3 3.8Å; Q568-W577 HydrophobicContact CB-CZ3 3.46Å; Q568-W577 VanDerWaalsContact CB-CZ3 3.46Å; Q568-W577 HydrophobicContact CG-CZ3 4.49Å
569	V	96.1	Very high	93.2	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.03	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.6	-178.7	-175.5	0	0	0	0	108.9	K549 V550 Y551 V567 W577 E578	K549-V569 HydrophobicContact CB-CG1 3.84Å; K549-V569 HydrophobicContact CD-CG1 3.93Å; K549-V569 HydrophobicContact CG-CG1 4.4Å; V550-V569 CarbonylContact O-C 3.49Å; V550-V569 WeakPolarHBondContact O-CA 3.38Å; Y551-V569 HydrophobicContact CD1-CG2 3.66Å; Y551-V569 HydrophobicContact CD2-CG1 4.41Å; Y551-V569 HydrophobicContact CE1-CG1 4.2Å; Y551-V569 HydrophobicContact CE1-CG2 3.55Å; Y551-V569 HydrophobicContact CE2-CG1 4Å; Y551-V569 HydrophobicContact CG-CG2 4.32Å; V567-V569 HydrophobicContact CG1-CG2 4.37Å; V569-W577 WeakPolarHBondContact O-CA 3.37Å; V569-E578 HydrophobicContact CB-CB 4.2Å; V569-E578 HydrophobicContact CB-CG 4.47Å; V569-E578 HydrophobicContact CG1-CG 4.29Å; V569-E578 PolarHBondContact O-N 3.4Å
570	Y	96.5	Very high	92.7	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122	-178.7	176.7	-110.8	0	0	0	110.7	Y500 V531 K549 V550 T572 D575 W577	Y500-Y570 AromaticContact CD1-CE1 3.98Å; Y500-Y570 HydrophobicContact CD1-CE1 3.98Å; Y500-Y570 AromaticContact CE1-CE1 3.67Å; Y500-Y570 HydrophobicContact CE1-CE1 3.67Å; V531-Y570 WeakPolarHBondContact CB-OH 3.3Å; V531-Y570 WeakPolarHBondContact CG2-OH 3.46Å; K549-Y570 CarbonylContact C-O 3.58Å; K549-Y570 VanDerWaalsContact CA-O 3.27Å; K549-Y570 WeakPolarHBondContact CA-O 3.22Å; V550-Y570 PolarHBondContact N-O 3.48Å; V550-Y570 PolarHBondContact O-N 2.87Å; Y570-T572 HydrophobicContact CD1-CG2 3.85Å; Y570-T572 HydrophobicContact CE1-CG2 3.9Å; Y570-D575 VanDerWaalsContact CE2-OD1 3.27Å; Y570-D575 WeakPolarHBondContact CE2-OD1 3.17Å; Y570-D575 PolarHBondContact OH-OD1 2.72Å; Y570-W577 AromaticContact CD2-CD2 3.94Å; Y570-W577 HydrophobicContact CD2-CD2 3.94Å; Y570-W577 AromaticContact CD2-CE2 3.62Å; Y570-W577 HydrophobicContact CD2-CE3 4.49Å; Y570-W577 HydrophobicContact CD2-CG 4.26Å; Y570-W577 AromaticContact CD2-CZ2 3.95Å; Y570-W577 HydrophobicContact CD2-CZ2 3.95Å; Y570-W577 AromaticContact CD2-NE1 3.71Å; Y570-W577 HydrophobicContact CG-CD2 4.47Å; Y570-W577 HydrophobicContact CG-CH2 4.34Å; Y570-W577 HydrophobicContact CG-CZ2 4.18Å
571	N	95.2	Very high	92.7	Very high	25 Å²	25	53 Å²	53	13%	0.134	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.2	174.4	-174.3	-26.8	0	0	0	109.8	K549 E573 T574 D575 E576	K549-N571 HydrophobicContact CG-CB 4.39Å; N571-E573 VanDerWaalsContact C-N 3.27Å; N571-E573 PolarHBondContact O-N 2.95Å; N571-E573 WeakPolarHBondContact OD1-CB 3.41Å; N571-E573 PolarHBondContact OD1-N 3.39Å; N571-T574 WeakPolarHBondContact CB-OG1 3.39Å; N571-T574 VanDerWaalsContact CG-OG1 3.28Å; N571-T574 PolarHBondContact OD1-N 2.75Å; N571-D575 WeakPolarHBondContact O-CA 3.46Å; N571-D575 PolarHBondContact O-N 2.83Å; N571-E576 PolarHBondContact N-O 2.84Å
572	T	92.7	Very high	92.8	Very high	11 Å²	11	53 Å²	53	7%	0.067	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17	-174.7	61.8	0	0	0	0	113.5	T495 Y500 A548 V550 Y570	T495-T572 HydrophobicContact CG2-CG2 3.79Å; Y500-T572 HydrophobicContact CE1-CG2 4.45Å; A548-T572 PolarHBondContact O-OG1 3.12Å; V550-T572 HydrophobicContact CG2-CG2 3.72Å; Y570-T572 HydrophobicContact CD1-CG2 3.85Å; Y570-T572 HydrophobicContact CE1-CG2 3.9Å
573	E	93.2	Very high	92.9	Very high	132 Å²	132	49.8 Å²	49.8	62%	0.617	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-38.5	179.6	-58.9	-173.9	157.1	0	0	112.1	Q496 N571	Q496-E573 PolarHBondContact NE2-OE1 2.85Å; Q496-E573 VanDerWaalsContact NE2-OE1 3.1Å; N571-E573 VanDerWaalsContact C-N 3.27Å; N571-E573 PolarHBondContact O-N 2.95Å; N571-E573 WeakPolarHBondContact OD1-CB 3.41Å; N571-E573 PolarHBondContact OD1-N 3.39Å
574	T	95.1	Very high	92.8	Very high	73 Å²	73	52.1 Å²	52.1	45%	0.448	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-11	-178.3	63.1	0	0	0	0	113.9	N571 E576	N571-T574 WeakPolarHBondContact CB-OG1 3.39Å; N571-T574 VanDerWaalsContact CG-OG1 3.28Å; N571-T574 PolarHBondContact OD1-N 2.75Å; T574-E576 VanDerWaalsContact C-N 3.28Å; T574-E576 PolarHBondContact O-N 3.34Å
575	D	95.8	Very high	92.7	Very high	54 Å²	54	54.2 Å²	54.2	29%	0.289	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	39.7	-171.8	-169.1	20.1	0	0	0	113	V531 S532 Y570 N571	V531-D575 WeakPolarHBondContact CB-OD1 3.42Å; S532-D575 WeakPolarHBondContact CB-O 3.3Å; S532-D575 WeakPolarHBondContact CB-OD1 3.4Å; S532-D575 PolarHBondContact N-OD1 2.83Å; S532-D575 PolarHBondContact N-OD2 2.87Å; S532-D575 PolarHBondContact OG-O 3.46Å; S532-D575 PolarHBondContact OG-OD1 3.03Å; Y570-D575 VanDerWaalsContact CE2-OD1 3.27Å; Y570-D575 WeakPolarHBondContact CE2-OD1 3.17Å; Y570-D575 PolarHBondContact OH-OD1 2.72Å; N571-D575 WeakPolarHBondContact O-CA 3.46Å; N571-D575 PolarHBondContact O-N 2.83Å
576	E	96.1	Very high	92.6	Very high	128 Å²	128	55.1 Å²	55.1	60%	0.598	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	147.3	-177.9	-66.7	-179.1	160.5	0	0	112.2	N571 T574	N571-E576 PolarHBondContact N-O 2.84Å; T574-E576 VanDerWaalsContact C-N 3.28Å; T574-E576 PolarHBondContact O-N 3.34Å
577	W	96	Very high	92.5	Very high	21 Å²	21	53 Å²	53	8%	0.08	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.6	172.2	-67.1	88.2	0	0	0	110.5	L502 V518 S532 P533 M534 R535 Q568 V569 Y570	L502-W577 HydrophobicContact CD2-CH2 4.22Å; V518-W577 HydrophobicContact CG2-CZ2 3.95Å; S532-W577 PolarHBondContact O-NE1 3.44Å; S532-W577 VanDerWaalsContact O-NE1 3.14Å; P533-W577 PolarHBondContact O-NE1 3.02Å; M534-W577 HydrophobicContact CB-CH2 4.28Å; M534-W577 HydrophobicContact CB-CZ2 4.08Å; M534-W577 HydrophobicContact CE-CH2 4.36Å; M534-W577 HydrophobicContact CG-CH2 3.66Å; M534-W577 HydrophobicContact CG-CZ2 3.6Å; R535-W577 HydrophobicContact CG-CB 4.43Å; R535-W577 HydrophobicContact CG-CG 4.45Å; R535-W577 PolarHBondContact NH2-O 3.38Å; Q568-W577 HydrophobicContact CB-CE3 3.8Å; Q568-W577 HydrophobicContact CB-CZ3 3.46Å; Q568-W577 VanDerWaalsContact CB-CZ3 3.46Å; Q568-W577 HydrophobicContact CG-CZ3 4.49Å; V569-W577 WeakPolarHBondContact O-CA 3.37Å; Y570-W577 AromaticContact CD2-CD2 3.94Å; Y570-W577 HydrophobicContact CD2-CD2 3.94Å; Y570-W577 AromaticContact CD2-CE2 3.62Å; Y570-W577 HydrophobicContact CD2-CE3 4.49Å; Y570-W577 HydrophobicContact CD2-CG 4.26Å; Y570-W577 AromaticContact CD2-CZ2 3.95Å; Y570-W577 HydrophobicContact CD2-CZ2 3.95Å; Y570-W577 AromaticContact CD2-NE1 3.71Å; Y570-W577 HydrophobicContact CG-CD2 4.47Å; Y570-W577 HydrophobicContact CG-CH2 4.34Å; Y570-W577 HydrophobicContact CG-CZ2 4.18Å
578	E	92.4	Very high	92.3	Very high	67 Å²	67	53 Å²	53	31%	0.313	26%	0.261	S	S	.	.			trans	-80.8	175	176.7	-55.8	-163.8	158.4	0	0	111.9	R535 K549 V569	R535-E578 PolarHBondContact NH1-O 3.21Å; K549-E578 WeakPolarHBondContact CE-OE1 3.33Å; K549-E578 IonicContact NZ-OE1 3.97Å; K549-E578 PolarHBondContact NZ-OE1 3.46Å; K549-E578 IonicContact NZ-OE2 3.66Å; V569-E578 HydrophobicContact CB-CB 4.2Å; V569-E578 HydrophobicContact CB-CG 4.47Å; V569-E578 HydrophobicContact CG1-CG 4.29Å; V569-E578 PolarHBondContact O-N 3.4Å
579	R	82.3	Confident	92.2	Very high	202 Å²	202	53.1 Å²	53.1	76%	0.762	26%	0.262	S	S	*	.			trans	-60.5	150.5	176.3	-67	-177.8	-179	176.8	0.9	110.9	R328 L581	R328-R579 PolarHBondContact NH2-O 3.03Å; R579-L581 PolarHBondContact O-N 3.34Å
580	D	79.5	Confident	92.2	Very high	82 Å²	82	53.3 Å²	53.3	44%	0.439	26%	0.263	S	S	.	.			trans	-60.5	134.5	-178.4	-56	-19.8	0	0	0	111	R328 R535	R328-D580 PolarHBondContact NH2-O 3.26Å; R535-D580 IonicContact NH1-OD1 2.69Å
581	L	90.3	Very high	92.1	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.052	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	154.6	168.7	172	65.4	0	0	0	107.2	L322 R328 F330 Y551 V567 R579	L322-L581 HydrophobicContact CD2-CD2 4.24Å; R328-L581 HydrophobicContact CB-CD1 3.89Å; R328-L581 WeakPolarHBondContact O-CD1 3.41Å; F330-L581 HydrophobicContact CE2-CD2 3.88Å; F330-L581 HydrophobicContact CE2-CG 4.25Å; Y551-L581 HydrophobicContact CE1-CD2 4.4Å; V567-L581 WeakPolarHBondContact CA-O 3.44Å; V567-L581 HydrophobicContact CB-CB 3.88Å; V567-L581 HydrophobicContact CB-CD2 4.19Å; V567-L581 HydrophobicContact CB-CG 3.96Å; V567-L581 WeakPolarHBondContact CB-O 3.43Å; V567-L581 HydrophobicContact CG1-CB 4.3Å; V567-L581 HydrophobicContact CG1-CD2 3.96Å; V567-L581 HydrophobicContact CG1-CG 4.3Å; V567-L581 HydrophobicContact CG2-CG 4.38Å; V567-L581 PolarHBondContact N-O 3.48Å; V567-L581 PolarHBondContact O-N 2.85Å; R579-L581 PolarHBondContact O-N 3.34Å
582	H	91.8	Very high	92.1	Very high	111 Å²	111	52.6 Å²	52.6	51%	0.514	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135	-179.8	-66.8	79.2	0	0	0	110.5
583	F	92.8	Very high	92.3	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.026	26%	0.262	C	S	.	.			trans	-79.8	147.5	169	-166.6	-121.8	0	0	0	109.1	T302 Y320 F330 I553 S565 V567 E585 F587 I590	T302-F583 HydrophobicContact CG2-CE2 3.89Å; T302-F583 HydrophobicContact CG2-CZ 4.36Å; T302-F583 VanDerWaalsContact OG1-CE2 3.29Å; T302-F583 WeakPolarHBondContact OG1-CE2 3.49Å; T302-F583 VanDerWaalsContact OG1-CZ 3.25Å; T302-F583 WeakPolarHBondContact OG1-CZ 3.48Å; Y320-F583 HydrophobicContact CD2-CE1 4.29Å; Y320-F583 AromaticContact CD2-CE2 3.91Å; Y320-F583 HydrophobicContact CD2-CE2 3.91Å; Y320-F583 AromaticContact CD2-CZ 3.36Å; Y320-F583 HydrophobicContact CD2-CZ 3.36Å; Y320-F583 HydrophobicContact CE2-CE1 4.41Å; Y320-F583 AromaticContact CE2-CZ 3.9Å; Y320-F583 HydrophobicContact CE2-CZ 3.9Å; Y320-F583 AromaticContact CG-CE2 3.94Å; Y320-F583 HydrophobicContact CG-CE2 3.94Å; Y320-F583 AromaticContact CG-CZ 3.89Å; Y320-F583 HydrophobicContact CG-CZ 3.89Å; F330-F583 AromaticContact CD1-CD2 3.9Å; F330-F583 HydrophobicContact CD1-CD2 3.9Å; F330-F583 AromaticContact CD1-CE2 3.87Å; F330-F583 HydrophobicContact CD1-CE2 3.87Å; F330-F583 HydrophobicContact CD2-CD2 4.04Å; F330-F583 AromaticContact CE1-CD2 3.95Å; F330-F583 HydrophobicContact CE1-CD2 3.95Å; F330-F583 HydrophobicContact CE1-CE2 4.04Å; F330-F583 HydrophobicContact CE2-CD2 4.11Å; F330-F583 AromaticContact CG-CD2 3.94Å; F330-F583 HydrophobicContact CG-CD2 3.94Å; F330-F583 HydrophobicContact CG-CE2 4.26Å; F330-F583 HydrophobicContact CZ-CD2 4.06Å; I553-F583 HydrophobicContact CG2-CB 4.18Å; I553-F583 HydrophobicContact CG2-CD1 4.39Å; I553-F583 HydrophobicContact CG2-CD2 3.84Å; I553-F583 HydrophobicContact CG2-CE2 4.38Å; I553-F583 HydrophobicContact CG2-CG 3.88Å; S565-F583 WeakPolarHBondContact CB-O 3.31Å; S565-F583 WeakPolarHBondContact O-CB 3.35Å; S565-F583 PolarHBondContact O-N 3.09Å; V567-F583 HydrophobicContact CG2-CB 3.91Å; F583-E585 VanDerWaalsContact C-N 3.25Å; F583-E585 WeakPolarHBondContact CD1-O 3.48Å; F583-E585 PolarHBondContact O-N 3.43Å; F583-F587 AromaticContact CE1-CD2 3.92Å; F583-F587 HydrophobicContact CE1-CD2 3.92Å; F583-F587 HydrophobicContact CE1-CE2 4.44Å; F583-I590 HydrophobicContact CD1-CD1 4.21Å; F583-I590 HydrophobicContact CE1-CD1 4.14Å
584	P	91.4	Very high	92.4	Very high	70 Å²	70	47.9 Å²	47.9	46%	0.455	24%	0.242	S	C	.	.	S	Bend	trans	-63.6	-29.8	-174.1	-27	38.4	0	0	0	114.1	Y320 F330	Y320-P584 HydrophobicContact CD1-CB 4.36Å; Y320-P584 HydrophobicContact CD1-CG 3.8Å; Y320-P584 HydrophobicContact CE1-CB 3.87Å; Y320-P584 HydrophobicContact CE1-CG 3.82Å; F330-P584 HydrophobicContact CB-CG 3.59Å; F330-P584 HydrophobicContact CG-CG 4.49Å
585	E	89.4	Confident	92.3	Very high	60 Å²	60	44.5 Å²	44.5	28%	0.28	22%	0.221	S	C	.	.	S	Bend	trans	-125.3	161.2	-180	-61.2	-163.6	-159.3	0	0	110.5	K318 Y320 S565 F583 F587	K318-E585 IonicContact NZ-OE1 3.86Å; K318-E585 PolarHBondContact NZ-OE1 3.41Å; Y320-E585 PolarHBondContact OH-OE1 3.14Å; S565-E585 VanDerWaalsContact CB-O 3.31Å; S565-E585 WeakPolarHBondContact CB-O 3.16Å; F583-E585 VanDerWaalsContact C-N 3.25Å; F583-E585 WeakPolarHBondContact CD1-O 3.48Å; F583-E585 PolarHBondContact O-N 3.43Å; E585-F587 HydrophobicContact CB-CD1 4.28Å; E585-F587 HydrophobicContact CB-CD2 4.38Å; E585-F587 HydrophobicContact CB-CE1 3.88Å; E585-F587 HydrophobicContact CB-CE2 3.99Å; E585-F587 HydrophobicContact CB-CZ 3.74Å; E585-F587 HydrophobicContact CG-CZ 4.26Å; E585-F587 VanDerWaalsContact OE2-CE1 3.28Å; E585-F587 WeakPolarHBondContact OE2-CE1 3.45Å; E585-F587 WeakPolarHBondContact OE2-CZ 2.93Å
586	S	91.5	Very high	92.3	Very high	47 Å²	47	44.6 Å²	44.6	33%	0.329	22%	0.221	S	C	.	.			trans	-97.7	104.4	175.2	-61.5	0	0	0	0	108.8	P307 V563 S565	P307-S586 WeakPolarHBondContact CA-O 3.04Å; V563-S586 WeakPolarHBondContact CG2-O 3.27Å; S565-S586 WeakPolarHBondContact CB-OG 3.24Å; S565-S586 PolarHBondContact N-OG 3.12Å
587	F	92.6	Very high	92	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.018	19%	0.194	C	C	.	.			trans	-129.5	146.8	-177.5	-66.6	-26.4	0	0	0	112.3	G304 T306 P307 G555 F583 E585 I590	G304-F587 WeakPolarHBondContact O-CD2 3.27Å; T306-F587 CarbonylContact O-C 3.56Å; T306-F587 VanDerWaalsContact O-CA 3.27Å; T306-F587 WeakPolarHBondContact O-CA 3.47Å; P307-F587 HydrophobicContact CB-CD1 3.92Å; P307-F587 HydrophobicContact CB-CE1 3.87Å; P307-F587 HydrophobicContact CG-CE1 4.22Å; G555-F587 PolarHBondContact N-O 2.99Å; F583-F587 AromaticContact CE1-CD2 3.92Å; F583-F587 HydrophobicContact CE1-CD2 3.92Å; F583-F587 HydrophobicContact CE1-CE2 4.44Å; E585-F587 HydrophobicContact CB-CD1 4.28Å; E585-F587 HydrophobicContact CB-CD2 4.38Å; E585-F587 HydrophobicContact CB-CE1 3.88Å; E585-F587 HydrophobicContact CB-CE2 3.99Å; E585-F587 HydrophobicContact CB-CZ 3.74Å; E585-F587 HydrophobicContact CG-CZ 4.26Å; E585-F587 VanDerWaalsContact OE2-CE1 3.28Å; E585-F587 WeakPolarHBondContact OE2-CE1 3.45Å; E585-F587 WeakPolarHBondContact OE2-CZ 2.93Å; F587-I590 HydrophobicContact CB-CD1 3.8Å; F587-I590 HydrophobicContact CB-CG1 3.62Å; F587-I590 HydrophobicContact CD2-CG1 4.46Å; F587-I590 WeakPolarHBondContact O-CD1 3.19Å
588	A	92.4	Very high	91.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-106.1	162	161.2	0	0	0	0	0	111.4	G305 T306 Y308 S341 E540 V563 I590	G305-A588 CarbonylContact C-O 3.43Å; G305-A588 VanDerWaalsContact CA-O 3.31Å; G305-A588 WeakPolarHBondContact CA-O 3.28Å; T306-A588 HydrophobicContact CG2-CB 4.43Å; T306-A588 WeakPolarHBondContact CG2-O 3.34Å; T306-A588 PolarHBondContact N-O 3.13Å; T306-A588 PolarHBondContact O-N 3.2Å; Y308-A588 HydrophobicContact CD2-CB 4.1Å; Y308-A588 HydrophobicContact CE2-CB 3.93Å; S341-A588 PolarHBondContact OG-O 3.23Å; E540-A588 HydrophobicContact CB-CB 4.3Å; V563-A588 HydrophobicContact CG1-CB 3.9Å; A588-I590 VanDerWaalsContact C-N 3.28Å; A588-I590 PolarHBondContact O-N 2.94Å
589	G	93.6	Very high	91	Very high	5 Å²	5	36.9 Å²	36.9	5%	0.052	19%	0.188	C	C	.	.	S	Bend	trans	65.3	31.9	-178.8	0	0	0	0	0	113.1	H342 E540	H342-G589 PolarHBondContact N-O 3.45Å; E540-G589 WeakPolarHBondContact O-CA 3.35Å; E540-G589 PolarHBondContact O-N 3.19Å
590	I	95.1	Very high	90.2	Very high	9 Å²	9	29.9 Å²	29.9	5%	0.046	17%	0.166	C	C	.	.			trans	-72.8	133.6	174.8	-61.3	158.6	0	0	0	108.6	T302 G542 I553 F583 F587 A588	T302-I590 HydrophobicContact CG2-CG2 4.15Å; G542-I590 VanDerWaalsContact CA-O 3.27Å; G542-I590 WeakPolarHBondContact CA-O 3.39Å; G542-I590 PolarHBondContact N-O 3.4Å; I553-I590 HydrophobicContact CG2-CD1 4.09Å; I553-I590 WeakPolarHBondContact O-CD1 3.37Å; F583-I590 HydrophobicContact CD1-CD1 4.21Å; F583-I590 HydrophobicContact CE1-CD1 4.14Å; F587-I590 HydrophobicContact CB-CD1 3.8Å; F587-I590 HydrophobicContact CB-CG1 3.62Å; F587-I590 HydrophobicContact CD2-CG1 4.46Å; F587-I590 WeakPolarHBondContact O-CD1 3.19Å; A588-I590 VanDerWaalsContact C-N 3.28Å; A588-I590 PolarHBondContact O-N 2.94Å
591	A	95.1	Very high	89	Confident	6 Å²	6	28.6 Å²	28.6	5%	0.05	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.7	165.1	0	0	0	0	0	109.4	T302 F303 S343 V345	T302-A591 CarbonylContact C-O 3.53Å; T302-A591 VanDerWaalsContact CA-O 3.24Å; T302-A591 WeakPolarHBondContact CA-O 3.31Å; F303-A591 HydrophobicContact CB-CB 4.29Å; F303-A591 PolarHBondContact N-O 3.28Å; F303-A591 PolarHBondContact O-N 3.47Å; F303-A591 VanDerWaalsContact O-N 3.16Å; S343-A591 WeakPolarHBondContact O-CB 3.34Å; V345-A591 HydrophobicContact CB-CB 4.05Å; V345-A591 HydrophobicContact CG1-CB 3.93Å
592	S	95.9	Very high	86.6	Confident	6 Å²	6	32.9 Å²	32.9	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.4	179.6	64.2	0	0	0	0	113.2	I301 V345 G542 C543	I301-S592 CarbonylContact O-C 3.59Å; I301-S592 WeakPolarHBondContact O-CA 3.33Å; V345-S592 WeakPolarHBondContact CG1-O 3.49Å; G542-S592 VanDerWaalsContact C-OG 3.29Å; G542-S592 WeakPolarHBondContact CA-OG 3.1Å; C543-S592 PolarHBondContact N-OG 3.19Å; C543-S592 PolarHBondContact O-OG 2.82Å
593	T	95.9	Very high	83.9	Confident	14 Å²	14	36.3 Å²	36.3	9%	0.086	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	149.4	179.2	-172.4	0	0	0	0	111.5	I301 F303 V345 V347 V352 I595	I301-T593 PolarHBondContact N-O 3.44Å; I301-T593 PolarHBondContact O-N 3.43Å; F303-T593 HydrophobicContact CE2-CG2 4.11Å; V345-T593 HydrophobicContact CG1-CG2 4.48Å; V345-T593 HydrophobicContact CG2-CG2 3.75Å; V347-T593 HydrophobicContact CG2-CG2 3.71Å; V347-T593 WeakPolarHBondContact CG2-OG1 3.42Å; V352-T593 HydrophobicContact CG1-CG2 4.16Å; V352-T593 HydrophobicContact CG2-CG2 4.21Å; T593-I595 HydrophobicContact CG2-CG2 4.32Å
594	P	95.2	Very high	81	Confident	31 Å²	31	51 Å²	51	20%	0.201	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	140.9	165.4	35.4	-40.3	0	0	0	110.5	L298 S299 L545 L546	L298-P594 HydrophobicContact CD1-CB 4.04Å; L298-P594 HydrophobicContact CD2-CB 4.33Å; L298-P594 HydrophobicContact CG-CB 4.12Å; S299-P594 CarbonylContact O-C 3.56Å; S299-P594 WeakPolarHBondContact O-CA 3.25Å; L545-P594 WeakPolarHBondContact O-CG 3.45Å; L546-P594 HydrophobicContact CD1-CB 4.19Å
595	I	94.8	Very high	80.5	Confident	1 Å²	1	50 Å²	50	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.2	164.5	61.5	172.7	0	0	0	111.1	S299 I301 V347 N350 V352 Y375 P377 T593 L597	S299-I595 PolarHBondContact N-O 3.43Å; S299-I595 PolarHBondContact O-N 2.95Å; S299-I595 VanDerWaalsContact O-O 3.1Å; I301-I595 HydrophobicContact CD1-CD1 3.19Å; I301-I595 HydrophobicContact CD1-CG1 3.27Å; I301-I595 HydrophobicContact CG1-CD1 4.24Å; I301-I595 HydrophobicContact CG1-CG1 3.86Å; V347-I595 HydrophobicContact CG1-CG2 4.18Å; V347-I595 HydrophobicContact CG2-CG2 3.69Å; N350-I595 WeakPolarHBondContact OD1-CB 3.49Å; V352-I595 HydrophobicContact CG2-CD1 3.78Å; V352-I595 HydrophobicContact CG2-CG2 3.47Å; V352-I595 VanDerWaalsContact CG2-CG2 3.47Å; Y375-I595 HydrophobicContact CE1-CD1 4.31Å; P377-I595 HydrophobicContact CB-CD1 3.62Å; P377-I595 HydrophobicContact CG-CD1 3.97Å; T593-I595 HydrophobicContact CG2-CG2 4.32Å; I595-L597 HydrophobicContact CD1-CD2 4.01Å; I595-L597 HydrophobicContact CG1-CD2 4.3Å; I595-L597 HydrophobicContact CG1-CG 4.46Å
596	I	93.8	Very high	80	Confident	56 Å²	56	49.5 Å²	49.5	29%	0.287	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.4	170.9	-61.4	174	0	0	0	108.4	I293 S295 V297 L298 N350	I293-I596 HydrophobicContact CB-CG2 4.28Å; I293-I596 HydrophobicContact CG2-CG2 4.33Å; S295-I596 WeakPolarHBondContact O-CG2 3.47Å; V297-I596 WeakPolarHBondContact O-CA 3.36Å; L298-I596 HydrophobicContact CD1-CG1 3.98Å; N350-I596 PolarHBondContact ND2-O 3.13Å; N350-I596 PolarHBondContact OD1-N 2.89Å
597	L	90.7	Very high	79.4	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.031	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-101.2	147.8	174.4	-72.1	177.8	0	0	0	111.3	S295 V297 I301 Y321 L333 P377 I595	S295-L597 WeakPolarHBondContact CB-O 3.03Å; S295-L597 PolarHBondContact OG-O 2.8Å; V297-L597 PolarHBondContact O-N 2.92Å; I301-L597 HydrophobicContact CD1-CD1 4.03Å; I301-L597 HydrophobicContact CD1-CD2 3.81Å; I301-L597 HydrophobicContact CD1-CG 4.11Å; Y321-L597 HydrophobicContact CD2-CD1 3.48Å; Y321-L597 VanDerWaalsContact CD2-CD1 3.48Å; Y321-L597 HydrophobicContact CE2-CD1 4Å; Y321-L597 HydrophobicContact CG-CD1 4Å; L333-L597 HydrophobicContact CD1-CD1 4.43Å; L333-L597 HydrophobicContact CD2-CD2 4.41Å; P377-L597 HydrophobicContact CB-CD2 3.98Å; I595-L597 HydrophobicContact CD1-CD2 4.01Å; I595-L597 HydrophobicContact CG1-CD2 4.3Å; I595-L597 HydrophobicContact CG1-CG 4.46Å
598	P	88.4	Confident	78.6	Confident	25 Å²	25	52.3 Å²	52.3	16%	0.162	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-55.8	152	169.6	-23.1	33.4	0	0	0	111.5	I293 P377 N600 T601	I293-P598 HydrophobicContact CD1-CG 4.3Å; I293-P598 HydrophobicContact CG2-CB 4.25Å; I293-P598 HydrophobicContact CG2-CG 4.04Å; P377-P598 VanDerWaalsContact O-CD 3.27Å; P377-P598 WeakPolarHBondContact O-CD 3.49Å; P377-P598 WeakPolarHBondContact O-CG 3.48Å; P598-N600 PolarHBondContact O-N 3.34Å; P598-N600 VanDerWaalsContact O-N 3.15Å; P598-T601 PolarHBondContact O-OG1 3.06Å
599	Q	79.2	Confident	77.7	Confident	23 Å²	23	55.6 Å²	55.6	11%	0.107	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	11.9	178.3	-59.4	-168.2	-3.7	0	0	113.8	N205 L207 K208 S295	N205-Q599 VanDerWaalsContact O-CD 3.32Å; N205-Q599 PolarHBondContact O-NE2 3.35Å; N205-Q599 PolarHBondContact O-OE1 2.76Å; L207-Q599 PolarHBondContact O-OE1 3.04Å; L207-Q599 VanDerWaalsContact O-OE1 3.11Å; K208-Q599 HydrophobicContact CD-CB 4.19Å; S295-Q599 VanDerWaalsContact OG-CG 3.28Å; S295-Q599 WeakPolarHBondContact OG-CG 3.49Å; S295-Q599 PolarHBondContact OG-NE2 3.1Å
600	N	66.3	Low	76.7	Confident	56 Å²	56	58.9 Å²	58.9	30%	0.299	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	2.4	-174.6	-59.1	-5.3	0	0	0	112.4	N209 C210 P598 T602	N209-N600 WeakPolarHBondContact CA-OD1 2.95Å; N209-N600 PolarHBondContact N-OD1 3.4Å; N209-N600 VanDerWaalsContact N-OD1 3.13Å; C210-N600 PolarHBondContact N-OD1 3.42Å; C210-N600 PolarHBondContact O-ND2 3.43Å; C210-N600 VanDerWaalsContact O-ND2 3.13Å; P598-N600 PolarHBondContact O-N 3.34Å; P598-N600 VanDerWaalsContact O-N 3.15Å; N600-T602 PolarHBondContact O-N 2.96Å
601	T	52.4	Low	75.4	Confident	55 Å²	55	62.5 Å²	62.5	34%	0.337	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	11.1	-168.4	-19.6	0	0	0	0	115	L333 P598	L333-T601 HydrophobicContact CD1-CG2 3.52Å; P598-T601 PolarHBondContact O-OG1 3.06Å
602	T	41.5	Very low	73.8	Confident	100 Å²	100	66.8 Å²	66.8	61%	0.613	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	16.7	-178.8	30.4	0	0	0	0	115.5	N600	N600-T602 PolarHBondContact O-N 2.96Å
603	Q	34.4	Very low	72	Confident	183 Å²	183	71.9 Å²	71.9	86%	0.855	35%	0.347	S	S	*	.			trans	-140.6	94.1	170.1	-72.4	-172.4	-10.3	0	0	112.4
604	R	31.5	Very low	69.8	Low	313 Å²	313	77.2 Å²	77.2	100%	1.181	37%	0.371	S	S	*	.			trans	-138.7	0	131	-95.9	-170.1	-179.6	178.9	1.4	109.3

Retrieved 604 of 604 residues in 194.3 ms (Link to these results)

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