A0A096ML61_PAPAN Loading...

Kelch repeat and BTB domain containing 3

AlphaFold DB , UniProt , Accession A0A096ML61, Species PAPAN (Papio anubis, Olive baboon), Gene KBTBD3, Length 612 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	30.9	Very low	227 Å²	227	151.3 Å²	151.3	100%	1.118	82%	0.818	S	S	*	*				0	101.1	0	-77.5	171.2	-172.5	0	0	106.2
2	E	35.8	Very low	30.9	Very low	173 Å²	173	151.5 Å²	151.5	81%	0.808	82%	0.818	S	S	*	*				61	119.7	94.8	-73.5	-177.3	149.8	0	0	109.9
3	L	28.5	Very low	31.1	Very low	152 Å²	152	151.2 Å²	151.2	80%	0.796	81%	0.808	S	S	*	*				-151.7	126.2	72.8	-84.3	145.1	0	0	0	112.8	M5	L3-M5 HydrophobicContact CD2-CE 4.41Å
4	A	36.7	Very low	31.5	Very low	86 Å²	86	156.5 Å²	156.5	71%	0.711	81%	0.811	S	S	*	*			trans	-67.7	152.6	148.1	0	0	0	0	0	110.2
5	M	29.6	Very low	31.6	Very low	174 Å²	174	153.5 Å²	153.5	86%	0.857	81%	0.809	S	S	*	*			trans	-167.4	98.1	144.5	-103.1	178.9	-143.9	0	0	106.5	L3	L3-M5 HydrophobicContact CD2-CE 4.41Å
6	D	27.6	Very low	31.8	Very low	148 Å²	148	151.5 Å²	151.5	79%	0.791	81%	0.805	S	S	*	*				88	137.7	69.4	-155.2	18.6	0	0	0	112.8
7	N	28.6	Very low	32.1	Very low	130 Å²	130	149.5 Å²	149.5	70%	0.695	80%	0.804	S	S	*	*			trans	-71.8	148.9	-162.5	-69.4	-69.1	0	0	0	112.8
8	S	27.6	Very low	33.1	Very low	124 Å²	124	150.9 Å²	150.9	87%	0.867	81%	0.812	S	S	*	*			trans	-119.5	101.3	150.9	53.3	0	0	0	0	109.5
9	Y	30.1	Very low	33.7	Very low	198 Å²	198	146.8 Å²	146.8	78%	0.776	81%	0.808	S	S	*	*			trans	-96.3	119.3	160.2	-96	-84.4	0	0	0	108.4	F11	Y9-F11 HydrophobicContact CD1-CD2 4.21Å; Y9-F11 HydrophobicContact CD1-CE2 4.1Å; Y9-F11 HydrophobicContact CE1-CE2 4.38Å
10	G	29	Very low	34.6	Very low	79 Å²	79	147.6 Å²	147.6	81%	0.814	81%	0.81	S	S	*	*			trans	-126.9	92.7	163.5	0	0	0	0	0	109
11	F	34.1	Very low	35	Very low	173 Å²	173	146.1 Å²	146.1	76%	0.759	81%	0.807	S	S	*	*			trans	-61.8	137.5	170.2	-99.9	-98.1	0	0	0	110.8	Y9	Y9-F11 HydrophobicContact CD1-CD2 4.21Å; Y9-F11 HydrophobicContact CD1-CE2 4.1Å; Y9-F11 HydrophobicContact CE1-CE2 4.38Å
12	N	31.1	Very low	36	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	79%	0.789	S	S	*	*			trans	-153.8	100.5	139.2	-103.1	-21.1	0	0	0	113.4
13	Q	33.9	Very low	37	Very low	148 Å²	148	140.3 Å²	140.3	69%	0.692	79%	0.789	S	S	*	*			trans	35.5	118.3	137.8	-66.7	-172.9	-3.9	0	0	122.7
14	R	35.6	Very low	38.4	Very low	225 Å²	225	141.7 Å²	141.7	85%	0.849	79%	0.788	S	S	*	*				74.8	108	125.4	-72.4	-175.7	174	178.2	-0.2	120.8
15	S	33.7	Very low	39.4	Very low	111 Å²	111	146.4 Å²	146.4	78%	0.776	79%	0.793	S	S	*	*				168.7	138.1	119	47.8	0	0	0	0	106
16	T	35.4	Very low	40.9	Very low	122 Å²	122	143.6 Å²	143.6	75%	0.748	78%	0.781	S	S	*	*			cis	-169.2	142.3	19.2	15.1	0	0	0	0	107.1
17	C	36.6	Very low	42.7	Very low	117 Å²	117	143.7 Å²	143.7	79%	0.791	78%	0.782	S	S	*	*			trans	55	113.3	147.8	-52.2	0	0	0	0	122.3
18	N	50.5	Low	44.6	Very low	176 Å²	176	146.1 Å²	146.1	94%	0.941	79%	0.786	S	S	*	*			trans	34.6	94.9	143	-64	-6.8	0	0	0	119.6
19	G	43.9	Very low	47.1	Very low	72 Å²	72	148.1 Å²	148.1	74%	0.742	79%	0.787	S	S	*	*			trans	-159.9	123.6	155.9	0	0	0	0	0	109.3
20	I	50.5	Low	49.4	Very low	163 Å²	163	144.6 Å²	144.6	84%	0.836	79%	0.785	S	S	*	*			trans	-46	132.6	174.3	-62	160.1	0	0	0	108.7	S22	I20-S22 PolarHBondContact O-N 2.79Å
21	P	44.3	Very low	52.1	Low	116 Å²	116	143.7 Å²	143.7	75%	0.753	77%	0.767	S	S	*	*			trans	-64.8	109.2	173.4	-5.9	20.2	0	0	0	106.9	E23	P21-E23 VanDerWaalsContact C-N 3.31Å; P21-E23 PolarHBondContact O-N 2.96Å
22	S	53.2	Low	54.6	Low	105 Å²	105	144 Å²	144	73%	0.734	77%	0.771	S	S	*	*			trans	-64.7	98	169.2	58.2	0	0	0	0	107.2	I20 K24	I20-S22 PolarHBondContact O-N 2.79Å; S22-K24 PolarHBondContact O-N 3.42Å
23	E	56	Low	57.4	Low	174 Å²	174	140.7 Å²	140.7	81%	0.813	75%	0.753	S	S	*	*			trans	-52.1	110.7	162.7	-75.2	-178.2	161.7	0	0	107.1	P21 K25	P21-E23 VanDerWaalsContact C-N 3.31Å; P21-E23 PolarHBondContact O-N 2.96Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 3.21Å
24	K	58.7	Low	60.2	Low	180 Å²	180	139 Å²	139	78%	0.783	75%	0.745	S	S	*	*			trans	-62.9	100.8	172.9	-76.8	-177.2	177.2	179.4	0	107	S22 N26	S22-K24 PolarHBondContact O-N 3.42Å; K24-N26 VanDerWaalsContact C-N 3.32Å; K24-N26 PolarHBondContact O-N 3.46Å
25	K	57.8	Low	62.8	Low	186 Å²	186	130.7 Å²	130.7	81%	0.809	73%	0.728	S	S	*	*			trans	-64.2	94.2	169.3	-76	-174.9	176.7	-178.1	0	108.3	E23 N27	E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 3.21Å; K25-N27 PolarHBondContact O-N 3.4Å
26	N	60	Low	65.5	Low	115 Å²	115	132.3 Å²	132.3	62%	0.615	72%	0.724	S	S	*	*			trans	-81.5	100.2	168.8	-71.1	-13.8	0	0	0	107.7	K24 F28	K24-N26 VanDerWaalsContact C-N 3.32Å; K24-N26 PolarHBondContact O-N 3.46Å; N26-F28 HydrophobicContact CB-CE2 4.03Å; N26-F28 HydrophobicContact CB-CZ 4.34Å
27	N	65.5	Low	68.2	Low	150 Å²	150	132.4 Å²	132.4	80%	0.802	71%	0.714	S	S	*	*			trans	-89.3	114.1	168.4	-78.8	-4.7	0	0	0	108.5	K25	K25-N27 PolarHBondContact O-N 3.4Å
28	F	69.9	Low	71	Confident	180 Å²	180	130.8 Å²	130.8	79%	0.789	70%	0.696	S	S	*	*			trans	-87.2	117.3	170.3	-63.4	-83.6	0	0	0	108.7	N26	N26-F28 HydrophobicContact CB-CE2 4.03Å; N26-F28 HydrophobicContact CB-CZ 4.34Å
29	L	79.3	Confident	73.1	Confident	167 Å²	167	124.8 Å²	124.8	87%	0.874	66%	0.664	S	S	*	*			trans	-91.2	119.8	173.2	-172.5	100.3	0	0	0	108.6
30	V	79.1	Confident	75.5	Confident	123 Å²	123	124.7 Å²	124.7	75%	0.745	65%	0.652	S	S	*	*			trans	-107.7	117.8	173.7	-177.7	0	0	0	0	108.1
31	S	84.7	Confident	77.6	Confident	61 Å²	61	120.2 Å²	120.2	43%	0.427	63%	0.632	S	S	.	*			trans	-100.3	96.8	173.8	171.3	0	0	0	0	109.2	D33 H34	S31-D33 PolarHBondContact O-N 3.21Å; S31-H34 WeakPolarHBondContact O-CB 3.44Å; S31-H34 PolarHBondContact O-N 3.09Å; S31-H34 VanDerWaalsContact O-N 3.08Å
32	E	87.5	Confident	80	Confident	180 Å²	180	116.5 Å²	116.5	84%	0.841	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-35.7	-175.8	-62.9	-177.2	173.2	0	0	113.1	H34	E32-H34 PolarHBondContact O-N 2.98Å
33	D	89.9	Confident	82.1	Confident	84 Å²	84	113.3 Å²	113.3	45%	0.449	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.5	4	-178.4	-60.6	-36.5	0	0	0	115	S31 G35 Q36 K37	S31-D33 PolarHBondContact O-N 3.21Å; D33-G35 VanDerWaalsContact C-N 3.32Å; D33-G35 PolarHBondContact O-N 2.94Å; D33-Q36 PolarHBondContact O-N 2.9Å; D33-K37 WeakPolarHBondContact O-CG 3.32Å; D33-K37 PolarHBondContact O-N 3.31Å; D33-K37 VanDerWaalsContact O-N 3.1Å
34	H	92.1	Very high	83.9	Confident	113 Å²	113	108.4 Å²	108.4	52%	0.523	56%	0.559	S	S	.	*	H	α-helix	trans	-60.7	-41.8	-171.7	-174.5	51.6	0	0	0	112.2	S31 E32 K37 I38	S31-H34 WeakPolarHBondContact O-CB 3.44Å; S31-H34 PolarHBondContact O-N 3.09Å; S31-H34 VanDerWaalsContact O-N 3.08Å; E32-H34 PolarHBondContact O-N 2.98Å; H34-K37 PolarHBondContact O-N 3.08Å; H34-I38 WeakPolarHBondContact NE2-CD1 3.41Å; H34-I38 WeakPolarHBondContact O-CG1 3.47Å; H34-I38 PolarHBondContact O-N 2.87Å
35	G	90.1	Very high	85.7	Confident	49 Å²	49	102.8 Å²	102.8	51%	0.505	54%	0.535	S	S	.	.	H	α-helix	trans	-63	-42.2	178.4	0	0	0	0	0	113.2	D33 K37 I38 L39	D33-G35 VanDerWaalsContact C-N 3.32Å; D33-G35 PolarHBondContact O-N 2.94Å; G35-K37 PolarHBondContact O-N 3.19Å; G35-I38 PolarHBondContact O-N 3.1Å; G35-L39 PolarHBondContact O-N 3.27Å
36	Q	90.6	Very high	87.5	Confident	145 Å²	145	95.9 Å²	95.9	68%	0.678	50%	0.503	S	S	*	.	H	α-helix	trans	-65	-40	177.5	-67.2	-178.2	9.8	0	0	111.7	D33 L39 S40	D33-Q36 PolarHBondContact O-N 2.9Å; Q36-L39 PolarHBondContact O-N 3.32Å; Q36-S40 PolarHBondContact O-N 2.91Å
37	K	92	Very high	89.1	Confident	125 Å²	125	96.5 Å²	96.5	54%	0.543	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-46.8	175.2	-71.1	174.9	-175.4	171	0	111.2	D33 H34 G35 L39 S40 V41	D33-K37 WeakPolarHBondContact O-CG 3.32Å; D33-K37 PolarHBondContact O-N 3.31Å; D33-K37 VanDerWaalsContact O-N 3.1Å; H34-K37 PolarHBondContact O-N 3.08Å; G35-K37 PolarHBondContact O-N 3.19Å; K37-L39 VanDerWaalsContact C-N 3.33Å; K37-L39 PolarHBondContact O-N 3.13Å; K37-S40 PolarHBondContact O-N 3.47Å; K37-S40 PolarHBondContact O-OG 3.34Å; K37-V41 WeakPolarHBondContact O-CG2 3.41Å; K37-V41 PolarHBondContact O-N 3.43Å; K37-V41 VanDerWaalsContact O-N 3.09Å
38	I	94.7	Very high	90.6	Very high	82 Å²	82	95 Å²	95	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-57.7	-47.4	175.7	-70.7	169.7	0	0	0	110.7	H34 G35 S40 V41 L42	H34-I38 WeakPolarHBondContact NE2-CD1 3.41Å; H34-I38 WeakPolarHBondContact O-CG1 3.47Å; H34-I38 PolarHBondContact O-N 2.87Å; G35-I38 PolarHBondContact O-N 3.1Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 3.48Å; I38-V41 WeakPolarHBondContact O-CB 3.49Å; I38-V41 PolarHBondContact O-N 2.97Å; I38-V41 VanDerWaalsContact O-N 3.13Å; I38-L42 HydrophobicContact CG2-CD1 3.79Å; I38-L42 HydrophobicContact CG2-CG 4.41Å; I38-L42 WeakPolarHBondContact O-CG 3.39Å; I38-L42 PolarHBondContact O-N 3.03Å
39	L	94.7	Very high	91.7	Very high	50 Å²	50	91.7 Å²	91.7	26%	0.262	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-41.6	-179.6	-171	61	0	0	0	112	G35 Q36 K37 V41 L42 Q43 Y111	G35-L39 PolarHBondContact O-N 3.27Å; Q36-L39 PolarHBondContact O-N 3.32Å; K37-L39 VanDerWaalsContact C-N 3.33Å; K37-L39 PolarHBondContact O-N 3.13Å; L39-V41 VanDerWaalsContact C-N 3.31Å; L39-V41 PolarHBondContact O-N 3.34Å; L39-L42 PolarHBondContact O-N 2.7Å; L39-Q43 PolarHBondContact O-N 3.09Å; L39-Y111 VanDerWaalsContact CD1-O 3.31Å; L39-Y111 WeakPolarHBondContact CD1-O 3.29Å; L39-Y111 VanDerWaalsContact CG-O 3.29Å; L39-Y111 WeakPolarHBondContact CG-O 3.44Å
40	S	94.2	Very high	92.4	Very high	70 Å²	70	85.9 Å²	85.9	49%	0.49	45%	0.453	S	S	.	.	H	α-helix	trans	-62.4	-35.3	175.1	71.6	0	0	0	0	113.4	Q36 K37 I38 N44	Q36-S40 PolarHBondContact O-N 2.91Å; K37-S40 PolarHBondContact O-N 3.47Å; K37-S40 PolarHBondContact O-OG 3.34Å; I38-S40 VanDerWaalsContact C-N 3.33Å; I38-S40 PolarHBondContact O-N 3.48Å; S40-N44 PolarHBondContact O-N 3.38Å
41	V	95.2	Very high	93.1	Very high	70 Å²	70	87.3 Å²	87.3	42%	0.424	45%	0.449	S	S	.	.	H	α-helix	trans	-68.2	-42.3	175.1	171.7	0	0	0	0	110.8	K37 I38 L39 Q43 N44 F45	K37-V41 WeakPolarHBondContact O-CG2 3.41Å; K37-V41 PolarHBondContact O-N 3.43Å; K37-V41 VanDerWaalsContact O-N 3.09Å; I38-V41 WeakPolarHBondContact O-CB 3.49Å; I38-V41 PolarHBondContact O-N 2.97Å; I38-V41 VanDerWaalsContact O-N 3.13Å; L39-V41 VanDerWaalsContact C-N 3.31Å; L39-V41 PolarHBondContact O-N 3.34Å; V41-Q43 VanDerWaalsContact C-N 3.34Å; V41-Q43 PolarHBondContact O-N 3.41Å; V41-N44 WeakPolarHBondContact O-CB 3.49Å; V41-N44 PolarHBondContact O-N 3.01Å; V41-N44 VanDerWaalsContact O-N 3.16Å; V41-F45 HydrophobicContact CG1-CD2 4.45Å; V41-F45 HydrophobicContact CG1-CE1 3.91Å; V41-F45 HydrophobicContact CG1-CE2 3.8Å; V41-F45 HydrophobicContact CG1-CZ 3.49Å; V41-F45 VanDerWaalsContact CG1-CZ 3.49Å; V41-F45 WeakPolarHBondContact O-CG 3.44Å; V41-F45 PolarHBondContact O-N 3.33Å
42	L	95.7	Very high	93.6	Very high	38 Å²	38	87.2 Å²	87.2	20%	0.199	44%	0.44	C	S	.	.	H	α-helix	trans	-64.4	-38	177.1	-68.9	164.5	0	0	0	112.1	I38 L39 F45 R46 V69 Y111	I38-L42 HydrophobicContact CG2-CD1 3.79Å; I38-L42 HydrophobicContact CG2-CG 4.41Å; I38-L42 WeakPolarHBondContact O-CG 3.39Å; I38-L42 PolarHBondContact O-N 3.03Å; L39-L42 PolarHBondContact O-N 2.7Å; L42-F45 HydrophobicContact CD2-CD2 4.26Å; L42-F45 PolarHBondContact O-N 3.28Å; L42-R46 PolarHBondContact O-N 3.22Å; L42-R46 VanDerWaalsContact O-N 3.15Å; L42-V69 HydrophobicContact CB-CG2 4.35Å; L42-V69 HydrophobicContact CD1-CG2 3.98Å; L42-V69 HydrophobicContact CD2-CG2 4.07Å; L42-V69 HydrophobicContact CG-CG2 4.37Å; L42-Y111 HydrophobicContact CB-CD1 4.26Å
43	Q	95.6	Very high	93.8	Very high	38 Å²	38	82.3 Å²	82.3	18%	0.178	42%	0.42	C	S	.	.	H	α-helix	trans	-62.9	-41.2	171.7	175.4	59.2	21.3	0	0	111.7	L39 V41 F45 R46 E47	L39-Q43 PolarHBondContact O-N 3.09Å; V41-Q43 VanDerWaalsContact C-N 3.34Å; V41-Q43 PolarHBondContact O-N 3.41Å; Q43-F45 VanDerWaalsContact C-N 3.34Å; Q43-F45 PolarHBondContact O-N 3.16Å; Q43-R46 WeakPolarHBondContact O-CB 3.47Å; Q43-R46 PolarHBondContact O-N 3.48Å; Q43-R46 VanDerWaalsContact O-N 3.17Å; Q43-E47 PolarHBondContact NE2-OE1 3.46Å; Q43-E47 WeakPolarHBondContact O-CG 3.49Å; Q43-E47 PolarHBondContact O-N 2.99Å
44	N	95.6	Very high	94	Very high	71 Å²	71	78.5 Å²	78.5	38%	0.38	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-38.8	175.6	-167.8	-7.1	0	0	0	111.9	S40 V41 R46 E47 Q48	S40-N44 PolarHBondContact O-N 3.38Å; V41-N44 WeakPolarHBondContact O-CB 3.49Å; V41-N44 PolarHBondContact O-N 3.01Å; V41-N44 VanDerWaalsContact O-N 3.16Å; N44-R46 VanDerWaalsContact C-N 3.29Å; N44-R46 PolarHBondContact O-N 3.07Å; N44-E47 PolarHBondContact O-N 3.12Å; N44-Q48 WeakPolarHBondContact O-CG 3.37Å; N44-Q48 PolarHBondContact O-N 3.15Å; N44-Q48 PolarHBondContact OD1-NE2 2.94Å
45	F	96.5	Very high	94.1	Very high	62 Å²	62	78.7 Å²	78.7	27%	0.272	40%	0.398	S	S	.	.	H	α-helix	trans	-60.9	-38.8	173.3	-64.8	-20	0	0	0	112.6	V41 L42 Q43 Q48 N49 V50 F51	V41-F45 HydrophobicContact CG1-CD2 4.45Å; V41-F45 HydrophobicContact CG1-CE1 3.91Å; V41-F45 HydrophobicContact CG1-CE2 3.8Å; V41-F45 HydrophobicContact CG1-CZ 3.49Å; V41-F45 VanDerWaalsContact CG1-CZ 3.49Å; V41-F45 WeakPolarHBondContact O-CG 3.44Å; V41-F45 PolarHBondContact O-N 3.33Å; L42-F45 HydrophobicContact CD2-CD2 4.26Å; L42-F45 PolarHBondContact O-N 3.28Å; Q43-F45 VanDerWaalsContact C-N 3.34Å; Q43-F45 PolarHBondContact O-N 3.16Å; F45-Q48 PolarHBondContact O-N 3.35Å; F45-N49 PolarHBondContact O-N 2.88Å; F45-N49 VanDerWaalsContact O-N 3.09Å; F45-V50 HydrophobicContact CB-CG2 3.96Å; F45-V50 HydrophobicContact CD1-CG2 3.98Å; F45-V50 HydrophobicContact CG-CG2 4.22Å; F45-V50 PolarHBondContact O-N 3.06Å; F45-V50 VanDerWaalsContact O-N 3.13Å; F45-F51 HydrophobicContact CD1-CD2 4.06Å; F45-F51 HydrophobicContact CD1-CE2 4.15Å; F45-F51 HydrophobicContact CD2-CD2 4.06Å; F45-F51 HydrophobicContact CE1-CD2 4.22Å; F45-F51 AromaticContact CE1-CE2 3.97Å; F45-F51 HydrophobicContact CE1-CE2 3.97Å; F45-F51 HydrophobicContact CE2-CD2 4.22Å; F45-F51 AromaticContact CG-CD2 3.98Å; F45-F51 HydrophobicContact CG-CD2 3.98Å; F45-F51 HydrophobicContact CZ-CD2 4.3Å; F45-F51 HydrophobicContact CZ-CE2 4.19Å
46	R	95.1	Very high	94.3	Very high	40 Å²	40	76.4 Å²	76.4	15%	0.151	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-45.2	173.7	-174.7	-178.4	178.4	-158	-6.9	111.7	L42 Q43 N44 Q48 N49 Y52 L107 D108 Y111	L42-R46 PolarHBondContact O-N 3.22Å; L42-R46 VanDerWaalsContact O-N 3.15Å; Q43-R46 WeakPolarHBondContact O-CB 3.47Å; Q43-R46 PolarHBondContact O-N 3.48Å; Q43-R46 VanDerWaalsContact O-N 3.17Å; N44-R46 VanDerWaalsContact C-N 3.29Å; N44-R46 PolarHBondContact O-N 3.07Å; R46-Q48 VanDerWaalsContact C-N 3.32Å; R46-Q48 PolarHBondContact O-N 3.5Å; R46-N49 PolarHBondContact O-N 3.13Å; R46-N49 PolarHBondContact O-OD1 2.94Å; R46-Y52 WeakPolarHBondContact CA-OH 3.37Å; R46-Y52 WeakPolarHBondContact CG-OH 3.49Å; R46-Y52 PolarHBondContact O-OH 3.01Å; R46-L107 VanDerWaalsContact NH1-C 3.28Å; R46-L107 PolarHBondContact NH1-O 3.17Å; R46-D108 IonicContact CZ-OD1 2.67Å; R46-D108 VanDerWaalsContact CZ-OD1 3.22Å; R46-D108 IonicContact NH1-OD1 3.88Å; R46-D108 PolarHBondContact NH1-OD1 3.04Å; R46-D108 IonicContact NH2-OD1 3.43Å; R46-D108 PolarHBondContact NH2-OD1 3.27Å; R46-Y111 HydrophobicContact CB-CD1 4.21Å; R46-Y111 HydrophobicContact CB-CE1 4.15Å
47	E	93.9	Very high	94.3	Very high	129 Å²	129	71.9 Å²	71.9	60%	0.603	35%	0.354	S	S	*	.	H	α-helix	trans	-64.1	-35.2	178.8	-71.3	169.8	-171.7	0	0	112.9	Q43 N44 N49	Q43-E47 PolarHBondContact NE2-OE1 3.46Å; Q43-E47 WeakPolarHBondContact O-CG 3.49Å; Q43-E47 PolarHBondContact O-N 2.99Å; N44-E47 PolarHBondContact O-N 3.12Å; E47-N49 VanDerWaalsContact C-N 3.34Å
48	Q	95.4	Very high	94.2	Very high	117 Å²	117	66.5 Å²	66.5	55%	0.547	33%	0.331	S	S	.	.	H	α-helix	trans	-83.3	-6.7	177.3	-67	-178	16.6	0	0	114.1	N44 F45 R46 V50	N44-Q48 WeakPolarHBondContact O-CG 3.37Å; N44-Q48 PolarHBondContact O-N 3.15Å; N44-Q48 PolarHBondContact OD1-NE2 2.94Å; F45-Q48 PolarHBondContact O-N 3.35Å; R46-Q48 VanDerWaalsContact C-N 3.32Å; R46-Q48 PolarHBondContact O-N 3.5Å; Q48-V50 HydrophobicContact CB-CG1 4.27Å; Q48-V50 HydrophobicContact CB-CG2 4.04Å
49	N	93.6	Very high	93.7	Very high	111 Å²	111	71.1 Å²	71.1	59%	0.594	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	43.7	-175.5	-60.3	-65.3	0	0	0	114.5	F45 R46 E47 Y52	F45-N49 PolarHBondContact O-N 2.88Å; F45-N49 VanDerWaalsContact O-N 3.09Å; R46-N49 PolarHBondContact O-N 3.13Å; R46-N49 PolarHBondContact O-OD1 2.94Å; E47-N49 VanDerWaalsContact C-N 3.34Å; N49-Y52 VanDerWaalsContact CA-CE2 3.48Å; N49-Y52 HydrophobicContact CB-CE2 3.9Å; N49-Y52 PolarHBondContact OD1-OH 2.86Å
50	V	94.6	Very high	93.1	Very high	46 Å²	46	75.7 Å²	75.7	28%	0.279	37%	0.373	S	S	.	.			trans	-115.3	158.1	-178.7	-66.3	0	0	0	0	112	F45 Q48 Y52 H66	F45-V50 HydrophobicContact CB-CG2 3.96Å; F45-V50 HydrophobicContact CD1-CG2 3.98Å; F45-V50 HydrophobicContact CG-CG2 4.22Å; F45-V50 PolarHBondContact O-N 3.06Å; F45-V50 VanDerWaalsContact O-N 3.13Å; Q48-V50 HydrophobicContact CB-CG1 4.27Å; Q48-V50 HydrophobicContact CB-CG2 4.04Å; V50-Y52 PolarHBondContact O-N 3.33Å; V50-Y52 VanDerWaalsContact O-N 3.12Å; V50-H66 PolarHBondContact O-NE2 3.32Å; V50-H66 VanDerWaalsContact O-NE2 3.07Å
51	F	93.9	Very high	93	Very high	152 Å²	152	75.9 Å²	75.9	67%	0.667	37%	0.366	S	S	*	.	S	Bend	trans	61.1	13.8	172.7	-50.6	-61.1	0	0	0	117.7	F45 D53 H66	F45-F51 HydrophobicContact CD1-CD2 4.06Å; F45-F51 HydrophobicContact CD1-CE2 4.15Å; F45-F51 HydrophobicContact CD2-CD2 4.06Å; F45-F51 HydrophobicContact CE1-CD2 4.22Å; F45-F51 AromaticContact CE1-CE2 3.97Å; F45-F51 HydrophobicContact CE1-CE2 3.97Å; F45-F51 HydrophobicContact CE2-CD2 4.22Å; F45-F51 AromaticContact CG-CD2 3.98Å; F45-F51 HydrophobicContact CG-CD2 3.98Å; F45-F51 HydrophobicContact CZ-CD2 4.3Å; F45-F51 HydrophobicContact CZ-CE2 4.19Å; F51-D53 PolarHBondContact O-N 2.8Å; F51-H66 PolarHBondContact O-CD2 3.24Å; F51-H66 VanDerWaalsContact O-CD2 3.24Å
52	Y	94.6	Very high	92.9	Very high	59 Å²	59	77.6 Å²	77.6	23%	0.231	37%	0.372	C	S	.	.			trans	-62.2	128.9	173.5	-60.9	-50.2	0	0	0	112.6	R46 N49 V50 P64 H66	R46-Y52 WeakPolarHBondContact CA-OH 3.37Å; R46-Y52 WeakPolarHBondContact CG-OH 3.49Å; R46-Y52 PolarHBondContact O-OH 3.01Å; N49-Y52 VanDerWaalsContact CA-CE2 3.48Å; N49-Y52 HydrophobicContact CB-CE2 3.9Å; N49-Y52 PolarHBondContact OD1-OH 2.86Å; V50-Y52 PolarHBondContact O-N 3.33Å; V50-Y52 VanDerWaalsContact O-N 3.12Å; Y52-P64 HydrophobicContact CD1-CB 4.34Å; Y52-P64 HydrophobicContact CD2-CB 3.5Å; Y52-P64 VanDerWaalsContact CD2-CB 3.5Å; Y52-P64 HydrophobicContact CD2-CG 3.8Å; Y52-P64 HydrophobicContact CE2-CB 3.84Å; Y52-P64 HydrophobicContact CE2-CG 3.62Å; Y52-P64 HydrophobicContact CG-CB 3.74Å; Y52-P64 HydrophobicContact CG-CG 4.44Å; Y52-H66 AromaticContact CD1-CE1 3.56Å; Y52-H66 AromaticContact CD1-ND1 3.88Å; Y52-H66 AromaticContact CD1-NE2 3.75Å; Y52-H66 AromaticContact CE1-CE1 3.51Å; Y52-H66 AromaticContact CE1-ND1 3.91Å
53	D	92.6	Very high	92.8	Very high	78 Å²	78	76.5 Å²	76.5	42%	0.417	37%	0.366	S	S	.	.			trans	-123.7	8.2	-179.4	63.5	-11.9	0	0	0	112.3	F51 C65 H66 R67	F51-D53 PolarHBondContact O-N 2.8Å; D53-C65 PolarHBondContact N-O 3.32Å; D53-H66 VanDerWaalsContact OD1-CA 3.24Å; D53-H66 WeakPolarHBondContact OD1-CA 3.28Å; D53-R67 PolarHBondContact O-NE 3.06Å; D53-R67 WeakPolarHBondContact OD1-CG 3.38Å; D53-R67 PolarHBondContact OD1-N 3.24Å
54	F	93.9	Very high	92.8	Very high	4 Å²	4	77 Å²	77	2%	0.018	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	157.8	177.1	-154.5	-117.3	0	0	0	113.1	P64 C65 R67 L70 F77 M80 F81 G91 V93	F54-P64 WeakPolarHBondContact O-CA 3.49Å; F54-C65 PolarHBondContact N-O 2.74Å; F54-C65 VanDerWaalsContact N-O 3.08Å; F54-C65 PolarHBondContact O-N 3.02Å; F54-C65 VanDerWaalsContact O-O 3.13Å; F54-R67 HydrophobicContact CB-CG 3.69Å; F54-R67 HydrophobicContact CD2-CG 4.08Å; F54-R67 HydrophobicContact CG-CG 4.05Å; F54-L70 HydrophobicContact CD1-CD1 3.79Å; F54-L70 HydrophobicContact CE1-CD1 4.35Å; F54-F77 HydrophobicContact CE1-CE1 4.43Å; F54-M80 HydrophobicContact CZ-SD 4.26Å; F54-F81 HydrophobicContact CD1-CE1 4.41Å; F54-F81 HydrophobicContact CD1-CZ 4.11Å; F54-F81 HydrophobicContact CD2-CE1 4.13Å; F54-F81 HydrophobicContact CD2-CZ 4.43Å; F54-F81 AromaticContact CE1-CE1 3.97Å; F54-F81 HydrophobicContact CE1-CE1 3.97Å; F54-F81 AromaticContact CE1-CZ 3.96Å; F54-F81 HydrophobicContact CE1-CZ 3.96Å; F54-F81 AromaticContact CE2-CE1 3.69Å; F54-F81 HydrophobicContact CE2-CE1 3.69Å; F54-F81 HydrophobicContact CE2-CZ 4.32Å; F54-F81 HydrophobicContact CG-CE1 4.48Å; F54-F81 HydrophobicContact CG-CZ 4.34Å; F54-F81 AromaticContact CZ-CE1 3.6Å; F54-F81 HydrophobicContact CZ-CE1 3.6Å; F54-F81 HydrophobicContact CZ-CZ 4.08Å; F54-G91 WeakPolarHBondContact CA-O 3.41Å; F54-G91 WeakPolarHBondContact CD2-O 3.24Å; F54-V93 HydrophobicContact CE1-CB 4.11Å; F54-V93 HydrophobicContact CE1-CG1 3.54Å; F54-V93 HydrophobicContact CZ-CB 3.87Å; F54-V93 HydrophobicContact CZ-CG1 3.84Å
55	K	93.6	Very high	92.8	Very high	117 Å²	117	73.6 Å²	73.6	51%	0.509	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.3	176.9	-61	175	-174	172.6	0	110.7	I62 G91 S92 V93	K55-I62 HydrophobicContact CB-CG2 4.08Å; K55-I62 HydrophobicContact CD-CG2 4.23Å; K55-I62 HydrophobicContact CG-CG2 4.42Å; K55-G91 PolarHBondContact N-O 3.28Å; K55-G91 VanDerWaalsContact N-O 3.07Å; K55-S92 CarbonylContact O-C 3.58Å; K55-S92 WeakPolarHBondContact O-CA 3.23Å; K55-S92 WeakPolarHBondContact O-CB 3.2Å; K55-V93 PolarHBondContact O-N 3.43Å
56	I	93.8	Very high	92.7	Very high	0 Å²	0	71 Å²	71	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	119.2	168.3	-61.3	168.9	0	0	0	107.6	M58 I63 L70 F77 V93 I95 V103 L107	I56-M58 HydrophobicContact CG2-CG 4.43Å; I56-M58 HydrophobicContact CG2-SD 3.86Å; I56-I63 PolarHBondContact N-O 2.96Å; I56-I63 PolarHBondContact O-N 3.38Å; I56-L70 HydrophobicContact CD1-CD1 4.42Å; I56-L70 HydrophobicContact CD1-CD2 4.48Å; I56-F77 HydrophobicContact CD1-CZ 4.01Å; I56-V93 HydrophobicContact CG1-CG1 4.14Å; I56-I95 HydrophobicContact CG2-CD1 3.88Å; I56-I95 HydrophobicContact CG2-CG1 4.2Å; I56-V103 HydrophobicContact CD1-CG1 4.16Å; I56-V103 HydrophobicContact CG2-CG1 4.17Å; I56-L107 HydrophobicContact CD1-CD2 4.4Å
57	I	92	Very high	92.6	Very high	51 Å²	51	72.1 Å²	72.1	26%	0.262	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.1	179.2	-56.5	173.2	0	0	0	107.9	I62 V93 T94 I95	I57-I62 HydrophobicContact CG2-CG1 4.5Å; I57-V93 PolarHBondContact N-O 3.32Å; I57-T94 WeakPolarHBondContact O-CA 3.4Å; I57-I95 PolarHBondContact O-N 3.33Å
58	M	89.9	Confident	92.5	Very high	11 Å²	11	69.6 Å²	69.6	5%	0.054	34%	0.343	C	S	.	.			trans	-104.7	165.5	171.2	-55.1	-57.9	-68	0	0	109	I56 D60 E61 I95 L98 V103	I56-M58 HydrophobicContact CG2-CG 4.43Å; I56-M58 HydrophobicContact CG2-SD 3.86Å; M58-D60 PolarHBondContact O-N 3.08Å; M58-D60 VanDerWaalsContact O-N 3.13Å; M58-E61 WeakPolarHBondContact CA-O 3.29Å; M58-E61 WeakPolarHBondContact CB-O 3.24Å; M58-E61 PolarHBondContact N-O 2.77Å; M58-I95 HydrophobicContact CE-CB 4.49Å; M58-I95 HydrophobicContact CE-CG2 4.44Å; M58-I95 WeakPolarHBondContact CE-O 3.5Å; M58-I95 HydrophobicContact SD-CB 3.87Å; M58-I95 HydrophobicContact SD-CG2 4.4Å; M58-I95 VanDerWaalsContact SD-O 3.41Å; M58-L98 WeakPolarHBondContact CE-O 3.31Å; M58-V103 HydrophobicContact CE-CG2 3.74Å; M58-V103 HydrophobicContact SD-CG2 3.84Å
59	K	82.8	Confident	92.5	Very high	179 Å²	179	64.4 Å²	64.4	78%	0.778	32%	0.32	S	S	*	.	S	Bend	trans	-52.3	-37.1	178	-80.8	-176.6	175.2	176.1	0	113.3
60	D	83.4	Confident	92.6	Very high	147 Å²	147	59.1 Å²	59.1	79%	0.786	29%	0.291	S	S	*	.	S	Bend	trans	-114.9	-5.8	-170.4	-48.9	-43.8	0	0	0	113.6	M58	M58-D60 PolarHBondContact O-N 3.08Å; M58-D60 VanDerWaalsContact O-N 3.13Å
61	E	91.3	Very high	92.6	Very high	73 Å²	73	58.1 Å²	58.1	34%	0.341	29%	0.287	S	S	.	.			trans	-158.2	150.2	-170.3	-166.5	174.5	-171.9	0	0	112.7	M58 I63 K104	M58-E61 WeakPolarHBondContact CA-O 3.29Å; M58-E61 WeakPolarHBondContact CB-O 3.24Å; M58-E61 PolarHBondContact N-O 2.77Å; E61-I63 HydrophobicContact CG-CG1 4.2Å; E61-K104 VanDerWaalsContact OE1-CE 3.31Å; E61-K104 WeakPolarHBondContact OE1-CE 3.24Å; E61-K104 IonicContact OE1-NZ 2.78Å; E61-K104 PolarHBondContact OE1-NZ 2.78Å; E61-K104 WeakPolarHBondContact OE2-CE 3.37Å; E61-K104 IonicContact OE2-NZ 3.22Å; E61-K104 PolarHBondContact OE2-NZ 3.13Å
62	I	92.9	Very high	92.6	Very high	107 Å²	107	55.1 Å²	55.1	55%	0.549	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.1	171.7	-58.4	174.3	0	0	0	108.3	K55 I57	K55-I62 HydrophobicContact CB-CG2 4.08Å; K55-I62 HydrophobicContact CD-CG2 4.23Å; K55-I62 HydrophobicContact CG-CG2 4.42Å; I57-I62 HydrophobicContact CG2-CG1 4.5Å
63	I	94.1	Very high	92.6	Very high	15 Å²	15	53.9 Å²	53.9	8%	0.077	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109.7	-175.9	-52.1	174	0	0	0	109.6	I56 E61 V103 K104 L107	I56-I63 PolarHBondContact N-O 2.96Å; I56-I63 PolarHBondContact O-N 3.38Å; E61-I63 HydrophobicContact CG-CG1 4.2Å; I63-V103 HydrophobicContact CD1-CG1 4.12Å; I63-K104 HydrophobicContact CD1-CG 4.03Å; I63-L107 HydrophobicContact CB-CD1 4.45Å; I63-L107 HydrophobicContact CG2-CD1 3.48Å; I63-L107 VanDerWaalsContact CG2-CD1 3.48Å
64	P	94.7	Very high	92.8	Very high	48 Å²	48	50.2 Å²	50.2	31%	0.312	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	143.7	176.6	33.6	-35.8	0	0	0	111.3	Y52 F54	Y52-P64 HydrophobicContact CD1-CB 4.34Å; Y52-P64 HydrophobicContact CD2-CB 3.5Å; Y52-P64 VanDerWaalsContact CD2-CB 3.5Å; Y52-P64 HydrophobicContact CD2-CG 3.8Å; Y52-P64 HydrophobicContact CE2-CB 3.84Å; Y52-P64 HydrophobicContact CE2-CG 3.62Å; Y52-P64 HydrophobicContact CG-CB 3.74Å; Y52-P64 HydrophobicContact CG-CG 4.44Å; F54-P64 WeakPolarHBondContact O-CA 3.49Å
65	C	95.5	Very high	92.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	171.5	-172.7	47.5	0	0	0	0	112.4	D53 F54 L70 L107	D53-C65 PolarHBondContact N-O 3.32Å; F54-C65 PolarHBondContact N-O 2.74Å; F54-C65 VanDerWaalsContact N-O 3.08Å; F54-C65 PolarHBondContact O-N 3.02Å; F54-C65 VanDerWaalsContact O-O 3.13Å; C65-L70 HydrophobicContact CB-CD1 4.39Å; C65-L107 HydrophobicContact CB-CD2 4.27Å
66	H	95.4	Very high	92.8	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.032	27%	0.272	C	S	.	.			trans	-101.4	124.5	180	-54.9	96.1	0	0	0	111.4	V50 F51 Y52 D53 C68 V69 L70 Y111	V50-H66 PolarHBondContact O-NE2 3.32Å; V50-H66 VanDerWaalsContact O-NE2 3.07Å; F51-H66 PolarHBondContact O-CD2 3.24Å; F51-H66 VanDerWaalsContact O-CD2 3.24Å; Y52-H66 AromaticContact CD1-CE1 3.56Å; Y52-H66 AromaticContact CD1-ND1 3.88Å; Y52-H66 AromaticContact CD1-NE2 3.75Å; Y52-H66 AromaticContact CE1-CE1 3.51Å; Y52-H66 AromaticContact CE1-ND1 3.91Å; D53-H66 VanDerWaalsContact OD1-CA 3.24Å; D53-H66 WeakPolarHBondContact OD1-CA 3.28Å; H66-C68 VanDerWaalsContact C-N 3.28Å; H66-C68 PolarHBondContact O-N 3.3Å; H66-V69 HydrophobicContact CB-CB 4.31Å; H66-V69 HydrophobicContact CB-CG2 3.95Å; H66-V69 PolarHBondContact O-N 2.79Å; H66-L70 WeakPolarHBondContact O-CG 3.37Å; H66-L70 PolarHBondContact O-N 2.9Å; H66-Y111 WeakPolarHBondContact CB-OH 3.31Å; H66-Y111 PolarHBondContact N-OH 3.15Å; H66-Y111 AromaticContact ND1-CE1 3.41Å; H66-Y111 WeakPolarHBondContact ND1-CE1 3.5Å; H66-Y111 AromaticContact ND1-CZ 3.48Å; H66-Y111 PolarHBondContact ND1-OH 2.61Å
67	R	92.3	Very high	92.7	Very high	63 Å²	63	49.8 Å²	49.8	24%	0.238	27%	0.272	C	S	.	.	H	α-helix	trans	-55.2	-43	179.1	-66.9	179.6	177.4	-147.8	-12.8	112.2	D53 F54 V69 L70 A71 F81 R88	D53-R67 PolarHBondContact O-NE 3.06Å; D53-R67 WeakPolarHBondContact OD1-CG 3.38Å; D53-R67 PolarHBondContact OD1-N 3.24Å; F54-R67 HydrophobicContact CB-CG 3.69Å; F54-R67 HydrophobicContact CD2-CG 4.08Å; F54-R67 HydrophobicContact CG-CG 4.05Å; R67-V69 VanDerWaalsContact C-N 3.34Å; R67-V69 PolarHBondContact O-N 3.29Å; R67-L70 PolarHBondContact O-N 3.13Å; R67-A71 WeakPolarHBondContact O-CB 3.48Å; R67-A71 PolarHBondContact O-N 3.28Å; R67-F81 HydrophobicContact CB-CD2 4.18Å; R67-F81 HydrophobicContact CB-CE2 3.85Å; R67-F81 HydrophobicContact CB-CZ 4.27Å; R67-F81 HydrophobicContact CG-CE1 4.46Å; R67-F81 HydrophobicContact CG-CE2 4.2Å; R67-F81 HydrophobicContact CG-CZ 4.12Å; R67-F81 WeakPolarHBondContact O-CE2 3.19Å; R67-R88 PolarHBondContact NH1-O 2.78Å; R67-R88 PolarHBondContact NH2-O 2.8Å
68	C	92.8	Very high	92.7	Very high	77 Å²	77	52.7 Å²	52.7	52%	0.52	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-37.5	-177.5	60.6	0	0	0	0	112.9	H66 A72	H66-C68 VanDerWaalsContact C-N 3.28Å; H66-C68 PolarHBondContact O-N 3.3Å; C68-A72 WeakPolarHBondContact O-CB 3.42Å; C68-A72 PolarHBondContact O-N 2.7Å
69	V	95.7	Very high	92.8	Very high	8 Å²	8	54.4 Å²	54.4	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-69.9	-43.8	177.5	179.4	0	0	0	0	110.5	L42 H66 R67 A72 C73 A110 Y111	L42-V69 HydrophobicContact CB-CG2 4.35Å; L42-V69 HydrophobicContact CD1-CG2 3.98Å; L42-V69 HydrophobicContact CD2-CG2 4.07Å; L42-V69 HydrophobicContact CG-CG2 4.37Å; H66-V69 HydrophobicContact CB-CB 4.31Å; H66-V69 HydrophobicContact CB-CG2 3.95Å; H66-V69 PolarHBondContact O-N 2.79Å; R67-V69 VanDerWaalsContact C-N 3.34Å; R67-V69 PolarHBondContact O-N 3.29Å; V69-A72 PolarHBondContact O-N 3.04Å; V69-C73 WeakPolarHBondContact O-CB 3.47Å; V69-C73 PolarHBondContact O-N 3.05Å; V69-C73 VanDerWaalsContact O-N 3.13Å; V69-A110 HydrophobicContact CG1-CB 4.09Å; V69-Y111 HydrophobicContact CB-CE1 4.08Å; V69-Y111 HydrophobicContact CG1-CD1 4.05Å; V69-Y111 HydrophobicContact CG1-CD2 4.11Å; V69-Y111 HydrophobicContact CG1-CE1 3.9Å; V69-Y111 HydrophobicContact CG1-CE2 3.94Å; V69-Y111 HydrophobicContact CG1-CG 4.15Å; V69-Y111 HydrophobicContact CG2-CD1 4.3Å; V69-Y111 HydrophobicContact CG2-CE1 3.7Å
70	L	95.1	Very high	93.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-50.5	176.2	-65.4	-179.7	0	0	0	111.4	F54 I56 C65 H66 R67 A72 C73 S74 F77 F81 F106 L107	F54-L70 HydrophobicContact CD1-CD1 3.79Å; F54-L70 HydrophobicContact CE1-CD1 4.35Å; I56-L70 HydrophobicContact CD1-CD1 4.42Å; I56-L70 HydrophobicContact CD1-CD2 4.48Å; C65-L70 HydrophobicContact CB-CD1 4.39Å; H66-L70 WeakPolarHBondContact O-CG 3.37Å; H66-L70 PolarHBondContact O-N 2.9Å; R67-L70 PolarHBondContact O-N 3.13Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 3.42Å; L70-C73 PolarHBondContact O-N 3.42Å; L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 3.22Å; L70-F77 HydrophobicContact CB-CB 3.86Å; L70-F77 HydrophobicContact CB-CD1 4.44Å; L70-F77 HydrophobicContact CB-CD2 3.97Å; L70-F77 HydrophobicContact CB-CG 3.85Å; L70-F77 HydrophobicContact CD1-CD1 4.18Å; L70-F77 HydrophobicContact CD1-CE1 4.23Å; L70-F77 HydrophobicContact CD1-CG 4.35Å; L70-F77 HydrophobicContact CD1-CZ 4.46Å; L70-F77 HydrophobicContact CD2-CD2 4.15Å; L70-F77 HydrophobicContact CD2-CE2 4.07Å; L70-F77 HydrophobicContact CG-CD2 4.47Å; L70-F81 HydrophobicContact CB-CE2 4.11Å; L70-F81 HydrophobicContact CD1-CZ 4.21Å; L70-F106 HydrophobicContact CD2-CE1 3.6Å; L70-F106 HydrophobicContact CD2-CZ 4.09Å; L70-L107 HydrophobicContact CD2-CD2 3.74Å
71	A	93.9	Very high	93.3	Very high	24 Å²	24	40.8 Å²	40.8	20%	0.198	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-33.5	180	0	0	0	0	0	113.4	R67 C73 R78 F81	R67-A71 WeakPolarHBondContact O-CB 3.48Å; R67-A71 PolarHBondContact O-N 3.28Å; A71-C73 VanDerWaalsContact C-N 3.32Å; A71-R78 HydrophobicContact CB-CB 4.23Å; A71-F81 HydrophobicContact CB-CD2 3.99Å; A71-F81 HydrophobicContact CB-CE2 4.35Å
72	A	93.8	Very high	93	Very high	90 Å²	90	43.9 Å²	43.9	74%	0.744	24%	0.244	S	C	*	.	H	α-helix	trans	-70.6	-30.1	176.9	0	0	0	0	0	112.5	C68 V69 L70	C68-A72 WeakPolarHBondContact O-CB 3.42Å; C68-A72 PolarHBondContact O-N 2.7Å; V69-A72 PolarHBondContact O-N 3.04Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 3.42Å
73	C	95.2	Very high	92.2	Very high	33 Å²	33	42.7 Å²	42.7	22%	0.223	24%	0.242	C	C	.	.	H	α-helix	trans	-97.8	-21.8	-175.2	-170.4	0	0	0	0	113.9	V69 L70 A71 A110	V69-C73 WeakPolarHBondContact O-CB 3.47Å; V69-C73 PolarHBondContact O-N 3.05Å; V69-C73 VanDerWaalsContact O-N 3.13Å; L70-C73 PolarHBondContact O-N 3.42Å; A71-C73 VanDerWaalsContact C-N 3.32Å; C73-A110 HydrophobicContact CB-CB 4Å
74	S	96.2	Very high	90.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.274	C	S	.	.			trans	-139.8	122.5	-168.1	161.2	0	0	0	0	111.6	L70 F76 F77 R78 L132	L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 3.22Å; S74-F76 VanDerWaalsContact C-N 3.27Å; S74-F76 PolarHBondContact O-N 2.89Å; S74-F76 PolarHBondContact OG-N 3.07Å; S74-F77 PolarHBondContact O-N 2.98Å; S74-F77 WeakPolarHBondContact OG-CD2 3.35Å; S74-F77 PolarHBondContact OG-N 3.07Å; S74-R78 WeakPolarHBondContact O-CB 3.47Å; S74-R78 PolarHBondContact O-N 3.33Å; S74-L132 WeakPolarHBondContact CB-O 3.39Å; S74-L132 PolarHBondContact OG-O 3.29Å
75	D	94.3	Very high	89.3	Confident	57 Å²	57	51.1 Å²	51.1	31%	0.305	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-31.1	178.1	-68.2	-28.2	0	0	0	112.2	R78 A79 Q133	D75-R78 PolarHBondContact O-N 2.89Å; D75-R78 IonicContact OD1-CZ 2.8Å; D75-R78 IonicContact OD1-NE 3.16Å; D75-R78 PolarHBondContact OD1-NE 2.88Å; D75-R78 IonicContact OD1-NH2 2.79Å; D75-R78 PolarHBondContact OD1-NH2 3.06Å; D75-R78 IonicContact OD2-NH2 2.7Å; D75-A79 VanDerWaalsContact O-CB 3.31Å; D75-A79 WeakPolarHBondContact O-CB 3.39Å; D75-A79 PolarHBondContact O-N 2.77Å; D75-Q133 HydrophobicContact CB-CB 3.78Å; D75-Q133 VanDerWaalsContact CB-OE1 3.29Å; D75-Q133 PolarHBondContact N-O 3.2Å
76	F	92.8	Very high	87.6	Confident	55 Å²	55	59.5 Å²	59.5	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-51.1	172.5	173	-94.6	0	0	0	111.8	S74 M80 F131 L132	S74-F76 VanDerWaalsContact C-N 3.27Å; S74-F76 PolarHBondContact O-N 2.89Å; S74-F76 PolarHBondContact OG-N 3.07Å; F76-M80 HydrophobicContact CD1-CE 4.19Å; F76-M80 HydrophobicContact CE1-CE 3.3Å; F76-M80 HydrophobicContact CE2-CE 4.43Å; F76-M80 HydrophobicContact CZ-CE 3.44Å; F76-M80 VanDerWaalsContact CZ-CE 3.44Å; F76-M80 WeakPolarHBondContact O-CB 3.29Å; F76-M80 PolarHBondContact O-N 3.32Å; F76-F131 HydrophobicContact CE2-CZ 4.37Å; F76-F131 HydrophobicContact CZ-CE1 4.38Å; F76-F131 HydrophobicContact CZ-CZ 4.34Å; F76-L132 WeakPolarHBondContact CB-O 3.37Å; F76-L132 HydrophobicContact CD1-CD2 3.82Å; F76-L132 HydrophobicContact CE1-CD2 4.22Å; F76-L132 HydrophobicContact CG-CD2 4.41Å
77	F	93	Very high	86.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-70.5	-36.5	178.6	-75.4	-64.5	0	0	0	112.3	F54 I56 L70 S74 M80 F81 V93 I95 F106 L132	F54-F77 HydrophobicContact CE1-CE1 4.43Å; I56-F77 HydrophobicContact CD1-CZ 4.01Å; L70-F77 HydrophobicContact CB-CB 3.86Å; L70-F77 HydrophobicContact CB-CD1 4.44Å; L70-F77 HydrophobicContact CB-CD2 3.97Å; L70-F77 HydrophobicContact CB-CG 3.85Å; L70-F77 HydrophobicContact CD1-CD1 4.18Å; L70-F77 HydrophobicContact CD1-CE1 4.23Å; L70-F77 HydrophobicContact CD1-CG 4.35Å; L70-F77 HydrophobicContact CD1-CZ 4.46Å; L70-F77 HydrophobicContact CD2-CD2 4.15Å; L70-F77 HydrophobicContact CD2-CE2 4.07Å; L70-F77 HydrophobicContact CG-CD2 4.47Å; S74-F77 PolarHBondContact O-N 2.98Å; S74-F77 WeakPolarHBondContact OG-CD2 3.35Å; S74-F77 PolarHBondContact OG-N 3.07Å; F77-M80 HydrophobicContact CD1-CE 4.43Å; F77-M80 HydrophobicContact CD1-SD 4.19Å; F77-M80 WeakPolarHBondContact O-CB 3.44Å; F77-M80 PolarHBondContact O-N 3.18Å; F77-F81 HydrophobicContact CB-CE2 3.97Å; F77-F81 HydrophobicContact CB-CZ 4.26Å; F77-F81 HydrophobicContact CD1-CZ 4.02Å; F77-F81 WeakPolarHBondContact O-CD2 3.39Å; F77-F81 VanDerWaalsContact O-CG 3.23Å; F77-F81 WeakPolarHBondContact O-CG 3.38Å; F77-F81 PolarHBondContact O-N 3.45Å; F77-V93 HydrophobicContact CE1-CG1 4.15Å; F77-I95 HydrophobicContact CZ-CD1 4.03Å; F77-F106 HydrophobicContact CD2-CE1 4.25Å; F77-F106 HydrophobicContact CD2-CZ 4.18Å; F77-F106 AromaticContact CE2-CE1 3.68Å; F77-F106 HydrophobicContact CE2-CE1 3.68Å; F77-F106 HydrophobicContact CE2-CZ 4.03Å; F77-L132 HydrophobicContact CE2-CD1 4.16Å; F77-L132 HydrophobicContact CE2-CD2 3.79Å; F77-L132 HydrophobicContact CZ-CD2 4.17Å
78	R	92.5	Very high	85	Confident	113 Å²	113	64.1 Å²	64.1	43%	0.426	34%	0.339	S	S	.	.	H	α-helix	trans	-57.2	-52.3	173.7	-177.4	165.7	61.7	172	4.1	111.2	A71 S74 D75 M80 F81 E82	A71-R78 HydrophobicContact CB-CB 4.23Å; S74-R78 WeakPolarHBondContact O-CB 3.47Å; S74-R78 PolarHBondContact O-N 3.33Å; D75-R78 PolarHBondContact O-N 2.89Å; D75-R78 IonicContact OD1-CZ 2.8Å; D75-R78 IonicContact OD1-NE 3.16Å; D75-R78 PolarHBondContact OD1-NE 2.88Å; D75-R78 IonicContact OD1-NH2 2.79Å; D75-R78 PolarHBondContact OD1-NH2 3.06Å; D75-R78 IonicContact OD2-NH2 2.7Å; R78-M80 VanDerWaalsContact C-N 3.33Å; R78-M80 PolarHBondContact O-N 2.99Å; R78-F81 PolarHBondContact O-N 3.5Å; R78-E82 HydrophobicContact CG-CG 4.45Å; R78-E82 VanDerWaalsContact CG-OE1 3.29Å; R78-E82 WeakPolarHBondContact CG-OE1 3.37Å; R78-E82 WeakPolarHBondContact O-CB 3.09Å; R78-E82 WeakPolarHBondContact O-CG 3.29Å; R78-E82 PolarHBondContact O-N 2.93Å
79	A	90.7	Very high	83.7	Confident	47 Å²	47	67.3 Å²	67.3	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-41.6	177.3	0	0	0	0	0	112.1	D75 F81 E82 V83	D75-A79 VanDerWaalsContact O-CB 3.31Å; D75-A79 WeakPolarHBondContact O-CB 3.39Å; D75-A79 PolarHBondContact O-N 2.77Å; A79-F81 VanDerWaalsContact C-N 3.29Å; A79-F81 PolarHBondContact O-N 2.86Å; A79-E82 PolarHBondContact O-N 3.39Å; A79-V83 WeakPolarHBondContact O-CB 3.45Å; A79-V83 VanDerWaalsContact O-CG2 3.3Å; A79-V83 WeakPolarHBondContact O-CG2 3.03Å; A79-V83 PolarHBondContact O-N 3.34Å
80	M	88.8	Confident	82.6	Confident	12 Å²	12	72.6 Å²	72.6	6%	0.059	38%	0.379	C	S	.	.	H	α-helix	trans	-59.1	-37	176.8	-178.6	-174.3	-67.3	0	0	113.1	F54 F76 F77 R78 E87 V93	F54-M80 HydrophobicContact CZ-SD 4.26Å; F76-M80 HydrophobicContact CD1-CE 4.19Å; F76-M80 HydrophobicContact CE1-CE 3.3Å; F76-M80 HydrophobicContact CE2-CE 4.43Å; F76-M80 HydrophobicContact CZ-CE 3.44Å; F76-M80 VanDerWaalsContact CZ-CE 3.44Å; F76-M80 WeakPolarHBondContact O-CB 3.29Å; F76-M80 PolarHBondContact O-N 3.32Å; F77-M80 HydrophobicContact CD1-CE 4.43Å; F77-M80 HydrophobicContact CD1-SD 4.19Å; F77-M80 WeakPolarHBondContact O-CB 3.44Å; F77-M80 PolarHBondContact O-N 3.18Å; R78-M80 VanDerWaalsContact C-N 3.33Å; R78-M80 PolarHBondContact O-N 2.99Å; M80-E87 HydrophobicContact CG-CB 4.13Å; M80-E87 HydrophobicContact SD-CB 4.04Å; M80-E87 HydrophobicContact SD-CG 4.49Å; M80-V93 HydrophobicContact CE-CB 4.39Å; M80-V93 HydrophobicContact CE-CG2 3.76Å; M80-V93 HydrophobicContact SD-CB 4.14Å; M80-V93 HydrophobicContact SD-CG2 4.12Å
81	F	88.2	Confident	82	Confident	27 Å²	27	73.7 Å²	73.7	12%	0.118	39%	0.39	C	S	.	.	H	α-helix	trans	-86.6	-26.2	-178.7	-56.4	-31.6	0	0	0	113.6	F54 R67 L70 A71 F77 R78 A79	F54-F81 HydrophobicContact CD1-CE1 4.41Å; F54-F81 HydrophobicContact CD1-CZ 4.11Å; F54-F81 HydrophobicContact CD2-CE1 4.13Å; F54-F81 HydrophobicContact CD2-CZ 4.43Å; F54-F81 AromaticContact CE1-CE1 3.97Å; F54-F81 HydrophobicContact CE1-CE1 3.97Å; F54-F81 AromaticContact CE1-CZ 3.96Å; F54-F81 HydrophobicContact CE1-CZ 3.96Å; F54-F81 AromaticContact CE2-CE1 3.69Å; F54-F81 HydrophobicContact CE2-CE1 3.69Å; F54-F81 HydrophobicContact CE2-CZ 4.32Å; F54-F81 HydrophobicContact CG-CE1 4.48Å; F54-F81 HydrophobicContact CG-CZ 4.34Å; F54-F81 AromaticContact CZ-CE1 3.6Å; F54-F81 HydrophobicContact CZ-CE1 3.6Å; F54-F81 HydrophobicContact CZ-CZ 4.08Å; R67-F81 HydrophobicContact CB-CD2 4.18Å; R67-F81 HydrophobicContact CB-CE2 3.85Å; R67-F81 HydrophobicContact CB-CZ 4.27Å; R67-F81 HydrophobicContact CG-CE1 4.46Å; R67-F81 HydrophobicContact CG-CE2 4.2Å; R67-F81 HydrophobicContact CG-CZ 4.12Å; R67-F81 WeakPolarHBondContact O-CE2 3.19Å; L70-F81 HydrophobicContact CB-CE2 4.11Å; L70-F81 HydrophobicContact CD1-CZ 4.21Å; A71-F81 HydrophobicContact CB-CD2 3.99Å; A71-F81 HydrophobicContact CB-CE2 4.35Å; F77-F81 HydrophobicContact CB-CE2 3.97Å; F77-F81 HydrophobicContact CB-CZ 4.26Å; F77-F81 HydrophobicContact CD1-CZ 4.02Å; F77-F81 WeakPolarHBondContact O-CD2 3.39Å; F77-F81 VanDerWaalsContact O-CG 3.23Å; F77-F81 WeakPolarHBondContact O-CG 3.38Å; F77-F81 PolarHBondContact O-N 3.45Å; R78-F81 PolarHBondContact O-N 3.5Å; A79-F81 VanDerWaalsContact C-N 3.29Å; A79-F81 PolarHBondContact O-N 2.86Å
82	E	84.2	Confident	81.8	Confident	138 Å²	138	73.6 Å²	73.6	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-81.4	-37.6	178.3	-72.4	176.3	179.9	0	0	112.5	R78 A79	R78-E82 HydrophobicContact CG-CG 4.45Å; R78-E82 VanDerWaalsContact CG-OE1 3.29Å; R78-E82 WeakPolarHBondContact CG-OE1 3.37Å; R78-E82 WeakPolarHBondContact O-CB 3.09Å; R78-E82 WeakPolarHBondContact O-CG 3.29Å; R78-E82 PolarHBondContact O-N 2.93Å; A79-E82 PolarHBondContact O-N 3.39Å
83	V	76.7	Confident	81.7	Confident	82 Å²	82	69.8 Å²	69.8	50%	0.497	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	145.3	179.9	-177.4	0	0	0	0	110	A79 M85	A79-V83 WeakPolarHBondContact O-CB 3.45Å; A79-V83 VanDerWaalsContact O-CG2 3.3Å; A79-V83 WeakPolarHBondContact O-CG2 3.03Å; A79-V83 PolarHBondContact O-N 3.34Å; V83-M85 HydrophobicContact CB-CG 4.5Å; V83-M85 HydrophobicContact CG1-CG 4.25Å; V83-M85 PolarHBondContact O-N 2.96Å
84	N	63.2	Low	81.4	Confident	141 Å²	141	72.4 Å²	72.4	75%	0.754	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	63.4	176.4	-75.7	-13.8	0	0	0	112.4	R88	N84-R88 PolarHBondContact OD1-NH1 3Å
85	M	64.7	Low	81	Confident	100 Å²	100	72.9 Å²	72.9	49%	0.493	37%	0.373	S	S	.	.			trans	-90	156	169.9	-69.6	-162	157.1	0	0	110.8	V83 E87 R88	V83-M85 HydrophobicContact CB-CG 4.5Å; V83-M85 HydrophobicContact CG1-CG 4.25Å; V83-M85 PolarHBondContact O-N 2.96Å; M85-E87 PolarHBondContact O-N 3.16Å; M85-R88 WeakPolarHBondContact O-CB 3.13Å; M85-R88 PolarHBondContact O-N 2.85Å
86	K	60.6	Low	80.7	Confident	176 Å²	176	74.1 Å²	74.1	77%	0.765	38%	0.383	S	S	*	.	H	α-helix	trans	-61.6	-31.8	-174.9	-153.1	-178.8	-177.1	-173	0	111.8	R88 D89 D90	K86-R88 VanDerWaalsContact C-N 3.27Å; K86-R88 PolarHBondContact O-N 2.83Å; K86-D89 PolarHBondContact O-N 3.29Å; K86-D90 PolarHBondContact O-N 3Å
87	E	66.5	Low	80.3	Confident	70 Å²	70	76.9 Å²	76.9	33%	0.327	40%	0.4	S	S	.	.	H	α-helix	trans	-65.7	-24.7	178.2	-66.5	77.8	-178	0	0	113	M80 M85 D89 V93	M80-E87 HydrophobicContact CG-CB 4.13Å; M80-E87 HydrophobicContact SD-CB 4.04Å; M80-E87 HydrophobicContact SD-CG 4.49Å; M85-E87 PolarHBondContact O-N 3.16Å; E87-D89 VanDerWaalsContact C-N 3.29Å; E87-D89 PolarHBondContact O-N 3.49Å; E87-V93 HydrophobicContact CG-CB 4.32Å; E87-V93 HydrophobicContact CG-CG2 4.13Å
88	R	65.9	Low	80	Confident	97 Å²	97	77.7 Å²	77.7	37%	0.366	41%	0.405	S	S	.	.	H	α-helix	trans	-59.9	-42.1	175.2	-179.3	-176	167.2	166.2	6	111.1	R67 N84 M85 K86	R67-R88 PolarHBondContact NH1-O 2.78Å; R67-R88 PolarHBondContact NH2-O 2.8Å; N84-R88 PolarHBondContact OD1-NH1 3Å; M85-R88 WeakPolarHBondContact O-CB 3.13Å; M85-R88 PolarHBondContact O-N 2.85Å; K86-R88 VanDerWaalsContact C-N 3.27Å; K86-R88 PolarHBondContact O-N 2.83Å
89	D	66.4	Low	79.8	Confident	144 Å²	144	75.3 Å²	75.3	77%	0.77	41%	0.405	S	S	*	.	H	α-helix	trans	-93.5	-27.4	-171.5	-62.9	-26.5	0	0	0	112.8	K86 E87 G91	K86-D89 PolarHBondContact O-N 3.29Å; E87-D89 VanDerWaalsContact C-N 3.29Å; E87-D89 PolarHBondContact O-N 3.49Å; D89-G91 PolarHBondContact O-N 3.48Å
90	D	71.2	Confident	79.8	Confident	118 Å²	118	74.3 Å²	74.3	63%	0.631	40%	0.395	S	S	*	.	H	α-helix	trans	-86.2	-1.6	-174.2	-151.6	21.1	0	0	0	114.4	K86 S92	K86-D90 PolarHBondContact O-N 3Å; D90-S92 PolarHBondContact O-N 2.86Å
91	G	84	Confident	79.8	Confident	24 Å²	24	80.9 Å²	80.9	25%	0.247	42%	0.423	C	S	.	.	S	Bend	trans	70	6.4	174.6	0	0	0	0	0	115.2	F54 K55 D89	F54-G91 WeakPolarHBondContact CA-O 3.41Å; F54-G91 WeakPolarHBondContact CD2-O 3.24Å; K55-G91 PolarHBondContact N-O 3.28Å; K55-G91 VanDerWaalsContact N-O 3.07Å; D89-G91 PolarHBondContact O-N 3.48Å
92	S	89.4	Confident	79.9	Confident	22 Å²	22	79.7 Å²	79.7	15%	0.154	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	160.3	-176.6	66	0	0	0	0	113.2	K55 D90	K55-S92 CarbonylContact O-C 3.58Å; K55-S92 WeakPolarHBondContact O-CA 3.23Å; K55-S92 WeakPolarHBondContact O-CB 3.2Å; D90-S92 PolarHBondContact O-N 2.86Å
93	V	90.8	Very high	80.3	Confident	9 Å²	9	73.2 Å²	73.2	6%	0.055	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.7	171.6	64.6	0	0	0	0	110.2	F54 K55 I56 I57 F77 M80 E87 I95	F54-V93 HydrophobicContact CE1-CB 4.11Å; F54-V93 HydrophobicContact CE1-CG1 3.54Å; F54-V93 HydrophobicContact CZ-CB 3.87Å; F54-V93 HydrophobicContact CZ-CG1 3.84Å; K55-V93 PolarHBondContact O-N 3.43Å; I56-V93 HydrophobicContact CG1-CG1 4.14Å; I57-V93 PolarHBondContact N-O 3.32Å; F77-V93 HydrophobicContact CE1-CG1 4.15Å; M80-V93 HydrophobicContact CE-CB 4.39Å; M80-V93 HydrophobicContact CE-CG2 3.76Å; M80-V93 HydrophobicContact SD-CB 4.14Å; M80-V93 HydrophobicContact SD-CG2 4.12Å; E87-V93 HydrophobicContact CG-CB 4.32Å; E87-V93 HydrophobicContact CG-CG2 4.13Å; V93-I95 HydrophobicContact CG1-CD1 4.42Å; V93-I95 HydrophobicContact CG1-CG1 4.27Å; V93-I95 HydrophobicContact CG2-CG1 4.41Å
94	T	89.8	Confident	81	Confident	89 Å²	89	73 Å²	73	55%	0.546	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.1	172.3	-54.7	0	0	0	0	110.1	I57 T96	I57-T94 WeakPolarHBondContact O-CA 3.4Å; T94-T96 HydrophobicContact CG2-CG2 4.13Å
95	I	88.3	Confident	82.4	Confident	9 Å²	9	67.2 Å²	67.2	5%	0.046	35%	0.353	C	S	.	.			trans	-110	112.1	176.2	-60.8	179.4	0	0	0	108.7	I56 I57 M58 F77 V93 L98	I56-I95 HydrophobicContact CG2-CD1 3.88Å; I56-I95 HydrophobicContact CG2-CG1 4.2Å; I57-I95 PolarHBondContact O-N 3.33Å; M58-I95 HydrophobicContact CE-CB 4.49Å; M58-I95 HydrophobicContact CE-CG2 4.44Å; M58-I95 WeakPolarHBondContact CE-O 3.5Å; M58-I95 HydrophobicContact SD-CB 3.87Å; M58-I95 HydrophobicContact SD-CG2 4.4Å; M58-I95 VanDerWaalsContact SD-O 3.41Å; F77-I95 HydrophobicContact CZ-CD1 4.03Å; V93-I95 HydrophobicContact CG1-CD1 4.42Å; V93-I95 HydrophobicContact CG1-CG1 4.27Å; V93-I95 HydrophobicContact CG2-CG1 4.41Å; I95-L98 HydrophobicContact CG2-CB 4Å; I95-L98 HydrophobicContact CG2-CD1 4.21Å; I95-L98 HydrophobicContact CG2-CG 4.17Å
96	T	86.7	Confident	83.8	Confident	84 Å²	84	62.5 Å²	62.5	52%	0.515	33%	0.329	S	S	.	.			trans	-99.2	-18.4	-178.3	52.8	0	0	0	0	114	T94	T94-T96 HydrophobicContact CG2-CG2 4.13Å
97	N	84.1	Confident	85.4	Confident	112 Å²	112	54.1 Å²	54.1	60%	0.599	29%	0.293	S	S	*	.	S	Bend	trans	-97.2	1.3	-167.1	-59.3	-7.9	0	0	0	113.3
98	L	87.5	Confident	86.8	Confident	18 Å²	18	54.5 Å²	54.5	9%	0.094	30%	0.297	C	S	.	.	S	Bend	trans	-124.3	153	177.2	-65.5	178.2	0	0	0	110.1	M58 I95 V103 Q127 L128 F131 L132	M58-L98 WeakPolarHBondContact CE-O 3.31Å; I95-L98 HydrophobicContact CG2-CB 4Å; I95-L98 HydrophobicContact CG2-CD1 4.21Å; I95-L98 HydrophobicContact CG2-CG 4.17Å; L98-V103 HydrophobicContact CB-CG2 3.98Å; L98-V103 HydrophobicContact CD1-CG2 4.28Å; L98-Q127 HydrophobicContact CD2-CG 4.36Å; L98-L128 HydrophobicContact CD2-CB 4.47Å; L98-F131 HydrophobicContact CD1-CD1 3.78Å; L98-F131 HydrophobicContact CD1-CE1 4.25Å; L98-F131 HydrophobicContact CG-CD1 4.26Å; L98-L132 HydrophobicContact CD1-CD1 4.47Å; L98-L132 HydrophobicContact CD1-CD2 4.47Å; L98-L132 HydrophobicContact CD1-CG 4.3Å
99	S	89.1	Confident	88.2	Confident	62 Å²	62	51.2 Å²	51.2	43%	0.434	29%	0.285	S	S	.	.			trans	-79.4	153.7	172.8	70	0	0	0	0	111.3	K101 A102 V103	S99-K101 PolarHBondContact O-N 3.38Å; S99-A102 WeakPolarHBondContact O-CB 3.33Å; S99-A102 PolarHBondContact O-N 3.07Å; S99-A102 PolarHBondContact OG-N 2.92Å; S99-V103 PolarHBondContact O-N 3.24Å; S99-V103 VanDerWaalsContact O-N 3.09Å
100	S	88.9	Confident	89.6	Confident	27 Å²	27	44.8 Å²	44.8	19%	0.189	25%	0.252	C	S	.	.	H	α-helix	trans	-57.5	-31.9	174.3	-53.7	0	0	0	0	112.2	K104	S100-K104 WeakPolarHBondContact O-CB 3.35Å; S100-K104 VanDerWaalsContact O-CG 3.29Å; S100-K104 WeakPolarHBondContact O-CG 3.32Å; S100-K104 PolarHBondContact O-N 3.43Å
101	K	89.6	Confident	90.7	Very high	149 Å²	149	39.2 Å²	39.2	65%	0.648	22%	0.222	S	C	*	.	H	α-helix	trans	-63	-45.1	174	-174.1	-177.4	177.3	-173.4	0	111.7	S99 A105 M124	S99-K101 PolarHBondContact O-N 3.38Å; K101-A105 WeakPolarHBondContact O-CB 3.32Å; K101-A105 PolarHBondContact O-N 3.02Å; K101-M124 HydrophobicContact CD-SD 4.23Å; K101-M124 HydrophobicContact CG-SD 4.17Å
102	A	90.4	Very high	91.2	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-45	179.1	0	0	0	0	0	111.6	S99 K104 A105 F106 M124	S99-A102 WeakPolarHBondContact O-CB 3.33Å; S99-A102 PolarHBondContact O-N 3.07Å; S99-A102 PolarHBondContact OG-N 2.92Å; A102-K104 PolarHBondContact O-N 3.03Å; A102-A105 PolarHBondContact O-N 3.09Å; A102-F106 PolarHBondContact O-N 3.19Å; A102-M124 HydrophobicContact CB-CG 3.8Å; A102-M124 HydrophobicContact CB-SD 3.91Å
103	V	92	Very high	91.3	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-41.4	178.9	177.5	0	0	0	0	111.5	I56 M58 I63 L98 S99 F106 L107	I56-V103 HydrophobicContact CD1-CG1 4.16Å; I56-V103 HydrophobicContact CG2-CG1 4.17Å; M58-V103 HydrophobicContact CE-CG2 3.74Å; M58-V103 HydrophobicContact SD-CG2 3.84Å; I63-V103 HydrophobicContact CD1-CG1 4.12Å; L98-V103 HydrophobicContact CB-CG2 3.98Å; L98-V103 HydrophobicContact CD1-CG2 4.28Å; S99-V103 PolarHBondContact O-N 3.24Å; S99-V103 VanDerWaalsContact O-N 3.09Å; V103-F106 WeakPolarHBondContact O-CB 3.12Å; V103-F106 PolarHBondContact O-N 3.02Å; V103-L107 HydrophobicContact CG1-CD1 4.26Å; V103-L107 WeakPolarHBondContact O-CG 3.38Å; V103-L107 PolarHBondContact O-N 2.82Å
104	K	92.3	Very high	91.3	Very high	78 Å²	78	49 Å²	49	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-45.3	174.3	-75.7	175.6	176.3	177.2	0	111.9	E61 I63 S100 A102 F106 L107 D108	E61-K104 VanDerWaalsContact OE1-CE 3.31Å; E61-K104 WeakPolarHBondContact OE1-CE 3.24Å; E61-K104 IonicContact OE1-NZ 2.78Å; E61-K104 PolarHBondContact OE1-NZ 2.78Å; E61-K104 WeakPolarHBondContact OE2-CE 3.37Å; E61-K104 IonicContact OE2-NZ 3.22Å; E61-K104 PolarHBondContact OE2-NZ 3.13Å; I63-K104 HydrophobicContact CD1-CG 4.03Å; S100-K104 WeakPolarHBondContact O-CB 3.35Å; S100-K104 VanDerWaalsContact O-CG 3.29Å; S100-K104 WeakPolarHBondContact O-CG 3.32Å; S100-K104 PolarHBondContact O-N 3.43Å; A102-K104 PolarHBondContact O-N 3.03Å; K104-F106 VanDerWaalsContact C-N 3.3Å; K104-F106 PolarHBondContact O-N 3.18Å; K104-L107 PolarHBondContact O-N 3.49Å; K104-L107 VanDerWaalsContact O-N 3.16Å; K104-D108 PolarHBondContact O-N 3.11Å
105	A	92.4	Very high	91.5	Very high	19 Å²	19	47.4 Å²	47.4	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-36.9	177.6	0	0	0	0	0	112.6	K101 A102 D108 Y109 M124 F125	K101-A105 WeakPolarHBondContact O-CB 3.32Å; K101-A105 PolarHBondContact O-N 3.02Å; A102-A105 PolarHBondContact O-N 3.09Å; A105-D108 PolarHBondContact O-N 3.14Å; A105-Y109 PolarHBondContact O-N 2.97Å; A105-M124 HydrophobicContact CB-CE 4.22Å; A105-F125 HydrophobicContact CB-CE1 3.61Å; A105-F125 HydrophobicContact CB-CZ 3.79Å
106	F	94.1	Very high	91.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-47	171.3	164	-109.6	0	0	0	112.7	L70 F77 A102 V103 K104 D108 Y109 A110 L128 L132 V134	L70-F106 HydrophobicContact CD2-CE1 3.6Å; L70-F106 HydrophobicContact CD2-CZ 4.09Å; F77-F106 HydrophobicContact CD2-CE1 4.25Å; F77-F106 HydrophobicContact CD2-CZ 4.18Å; F77-F106 AromaticContact CE2-CE1 3.68Å; F77-F106 HydrophobicContact CE2-CE1 3.68Å; F77-F106 HydrophobicContact CE2-CZ 4.03Å; A102-F106 PolarHBondContact O-N 3.19Å; V103-F106 WeakPolarHBondContact O-CB 3.12Å; V103-F106 PolarHBondContact O-N 3.02Å; K104-F106 VanDerWaalsContact C-N 3.3Å; K104-F106 PolarHBondContact O-N 3.18Å; F106-D108 VanDerWaalsContact C-N 3.3Å; F106-D108 PolarHBondContact O-N 3.2Å; F106-Y109 CarbonylContact O-C 3.5Å; F106-Y109 WeakPolarHBondContact O-CB 3.49Å; F106-Y109 PolarHBondContact O-N 2.78Å; F106-A110 HydrophobicContact CE2-CB 4.32Å; F106-A110 HydrophobicContact CZ-CB 4.3Å; F106-A110 WeakPolarHBondContact O-CB 2.98Å; F106-A110 PolarHBondContact O-N 2.6Å; F106-L128 HydrophobicContact CB-CD1 3.5Å; F106-L128 VanDerWaalsContact CB-CD1 3.5Å; F106-L128 HydrophobicContact CB-CD2 4.02Å; F106-L128 HydrophobicContact CB-CG 4.42Å; F106-L128 HydrophobicContact CD2-CD1 4.07Å; F106-L128 HydrophobicContact CG-CD1 3.92Å; F106-L132 HydrophobicContact CB-CD1 4.23Å; F106-L132 HydrophobicContact CD1-CD1 3.55Å; F106-L132 HydrophobicContact CD2-CD1 3.8Å; F106-L132 HydrophobicContact CE1-CD1 3.79Å; F106-L132 HydrophobicContact CE2-CD1 4.03Å; F106-L132 HydrophobicContact CG-CD1 3.55Å; F106-L132 HydrophobicContact CZ-CD1 4.02Å; F106-V134 HydrophobicContact CD2-CG2 3.99Å; F106-V134 HydrophobicContact CE2-CG2 3.59Å
107	L	94.9	Very high	92.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-44	177.5	-68.2	169.6	0	0	0	109.9	R46 I56 I63 C65 L70 V103 K104 Y109 A110 Y111	R46-L107 VanDerWaalsContact NH1-C 3.28Å; R46-L107 PolarHBondContact NH1-O 3.17Å; I56-L107 HydrophobicContact CD1-CD2 4.4Å; I63-L107 HydrophobicContact CB-CD1 4.45Å; I63-L107 HydrophobicContact CG2-CD1 3.48Å; I63-L107 VanDerWaalsContact CG2-CD1 3.48Å; C65-L107 HydrophobicContact CB-CD2 4.27Å; L70-L107 HydrophobicContact CD2-CD2 3.74Å; V103-L107 HydrophobicContact CG1-CD1 4.26Å; V103-L107 WeakPolarHBondContact O-CG 3.38Å; V103-L107 PolarHBondContact O-N 2.82Å; K104-L107 PolarHBondContact O-N 3.49Å; K104-L107 VanDerWaalsContact O-N 3.16Å; L107-Y109 VanDerWaalsContact C-N 3.28Å; L107-Y109 PolarHBondContact O-N 2.73Å; L107-A110 PolarHBondContact O-N 3.38Å; L107-Y111 HydrophobicContact CD2-CE2 4.21Å; L107-Y111 VanDerWaalsContact O-CD2 3.24Å; L107-Y111 WeakPolarHBondContact O-CD2 3.36Å; L107-Y111 PolarHBondContact O-N 3.38Å
108	D	94.4	Very high	92.6	Very high	77 Å²	77	49 Å²	49	41%	0.412	26%	0.261	S	S	.	.	H	α-helix	trans	-57.2	-43.5	175.5	-63.2	-15.3	0	0	0	111.4	R46 K104 A105 F106 T112	R46-D108 IonicContact CZ-OD1 2.67Å; R46-D108 VanDerWaalsContact CZ-OD1 3.22Å; R46-D108 IonicContact NH1-OD1 3.88Å; R46-D108 PolarHBondContact NH1-OD1 3.04Å; R46-D108 IonicContact NH2-OD1 3.43Å; R46-D108 PolarHBondContact NH2-OD1 3.27Å; K104-D108 PolarHBondContact O-N 3.11Å; A105-D108 PolarHBondContact O-N 3.14Å; F106-D108 VanDerWaalsContact C-N 3.3Å; F106-D108 PolarHBondContact O-N 3.2Å; D108-T112 VanDerWaalsContact O-CB 3.28Å; D108-T112 WeakPolarHBondContact O-CB 3.47Å; D108-T112 VanDerWaalsContact O-CG2 3.24Å; D108-T112 WeakPolarHBondContact O-CG2 3.49Å; D108-T112 PolarHBondContact O-N 3.34Å; D108-T112 PolarHBondContact O-OG1 3.4Å
109	Y	95.6	Very high	92.8	Very high	28 Å²	28	53.6 Å²	53.6	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-46.1	171.6	175.8	-100.9	0	0	0	112.8	A105 F106 L107 Y111 T112 G113 T115 V134 F136 L137	A105-Y109 PolarHBondContact O-N 2.97Å; F106-Y109 CarbonylContact O-C 3.5Å; F106-Y109 WeakPolarHBondContact O-CB 3.49Å; F106-Y109 PolarHBondContact O-N 2.78Å; L107-Y109 VanDerWaalsContact C-N 3.28Å; L107-Y109 PolarHBondContact O-N 2.73Å; Y109-Y111 VanDerWaalsContact C-N 3.3Å; Y109-Y111 PolarHBondContact O-N 3.01Å; Y109-T112 PolarHBondContact O-N 3.19Å; Y109-G113 VanDerWaalsContact O-CA 3.29Å; Y109-G113 WeakPolarHBondContact O-CA 3.3Å; Y109-G113 PolarHBondContact O-N 2.87Å; Y109-T115 HydrophobicContact CD2-CG2 3.9Å; Y109-T115 HydrophobicContact CE2-CG2 4.45Å; Y109-V134 HydrophobicContact CD1-CG1 4.22Å; Y109-V134 HydrophobicContact CE1-CG1 3.62Å; Y109-F136 WeakPolarHBondContact OH-CD1 3.37Å; Y109-L137 HydrophobicContact CD1-CD2 4.28Å; Y109-L137 HydrophobicContact CE1-CB 4.34Å; Y109-L137 HydrophobicContact CG-CD2 4.41Å
110	A	95.4	Very high	92.9	Very high	9 Å²	9	58.4 Å²	58.4	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-33.6	-176.2	0	0	0	0	0	113	V69 C73 F106 L107	V69-A110 HydrophobicContact CG1-CB 4.09Å; C73-A110 HydrophobicContact CB-CB 4Å; F106-A110 HydrophobicContact CE2-CB 4.32Å; F106-A110 HydrophobicContact CZ-CB 4.3Å; F106-A110 WeakPolarHBondContact O-CB 2.98Å; F106-A110 PolarHBondContact O-N 2.6Å; L107-A110 PolarHBondContact O-N 3.38Å
111	Y	95.5	Very high	93.1	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-92.9	-14.8	178.2	-72.3	-90.6	0	0	0	114.4	L39 L42 R46 H66 V69 L107 Y109	L39-Y111 VanDerWaalsContact CD1-O 3.31Å; L39-Y111 WeakPolarHBondContact CD1-O 3.29Å; L39-Y111 VanDerWaalsContact CG-O 3.29Å; L39-Y111 WeakPolarHBondContact CG-O 3.44Å; L42-Y111 HydrophobicContact CB-CD1 4.26Å; R46-Y111 HydrophobicContact CB-CD1 4.21Å; R46-Y111 HydrophobicContact CB-CE1 4.15Å; H66-Y111 WeakPolarHBondContact CB-OH 3.31Å; H66-Y111 PolarHBondContact N-OH 3.15Å; H66-Y111 AromaticContact ND1-CE1 3.41Å; H66-Y111 WeakPolarHBondContact ND1-CE1 3.5Å; H66-Y111 AromaticContact ND1-CZ 3.48Å; H66-Y111 PolarHBondContact ND1-OH 2.61Å; V69-Y111 HydrophobicContact CB-CE1 4.08Å; V69-Y111 HydrophobicContact CG1-CD1 4.05Å; V69-Y111 HydrophobicContact CG1-CD2 4.11Å; V69-Y111 HydrophobicContact CG1-CE1 3.9Å; V69-Y111 HydrophobicContact CG1-CE2 3.94Å; V69-Y111 HydrophobicContact CG1-CG 4.15Å; V69-Y111 HydrophobicContact CG2-CD1 4.3Å; V69-Y111 HydrophobicContact CG2-CE1 3.7Å; L107-Y111 HydrophobicContact CD2-CE2 4.21Å; L107-Y111 VanDerWaalsContact O-CD2 3.24Å; L107-Y111 WeakPolarHBondContact O-CD2 3.36Å; L107-Y111 PolarHBondContact O-N 3.38Å; Y109-Y111 VanDerWaalsContact C-N 3.3Å; Y109-Y111 PolarHBondContact O-N 3.01Å
112	T	93.7	Very high	93.3	Very high	52 Å²	52	51.6 Å²	51.6	32%	0.319	28%	0.275	S	S	.	.	H	α-helix	trans	-116.7	-19.4	-177.4	69.3	0	0	0	0	114.4	D108 Y109 K114	D108-T112 VanDerWaalsContact O-CB 3.28Å; D108-T112 WeakPolarHBondContact O-CB 3.47Å; D108-T112 VanDerWaalsContact O-CG2 3.24Å; D108-T112 WeakPolarHBondContact O-CG2 3.49Å; D108-T112 PolarHBondContact O-N 3.34Å; D108-T112 PolarHBondContact O-OG1 3.4Å; Y109-T112 PolarHBondContact O-N 3.19Å; T112-K114 PolarHBondContact O-N 3.05Å; T112-K114 PolarHBondContact OG1-N 3.01Å; T112-K114 VanDerWaalsContact OG1-N 3.15Å; T112-K114 PolarHBondContact OG1-O 3.31Å
113	G	91.1	Very high	93.4	Very high	45 Å²	45	55.5 Å²	55.5	46%	0.464	29%	0.293	S	S	.	.	S	Bend	trans	67	11.3	-169.6	0	0	0	0	0	113.9	Y109	Y109-G113 VanDerWaalsContact O-CA 3.29Å; Y109-G113 WeakPolarHBondContact O-CA 3.3Å; Y109-G113 PolarHBondContact O-N 2.87Å
114	K	92.1	Very high	93.4	Very high	164 Å²	164	57.3 Å²	57.3	71%	0.713	30%	0.301	S	S	*	.			trans	-128.5	138	-171.1	-64.7	176	-174.1	177.8	0	110.8	T112	T112-K114 PolarHBondContact O-N 3.05Å; T112-K114 PolarHBondContact OG1-N 3.01Å; T112-K114 VanDerWaalsContact OG1-N 3.15Å; T112-K114 PolarHBondContact OG1-O 3.31Å
115	T	93.2	Very high	93.5	Very high	54 Å²	54	54 Å²	54	33%	0.331	29%	0.287	S	S	.	.			trans	-152.4	151.9	168.4	-174.2	0	0	0	0	109.9	Y109 I117 F125 L137	Y109-T115 HydrophobicContact CD2-CG2 3.9Å; Y109-T115 HydrophobicContact CE2-CG2 4.45Å; T115-I117 HydrophobicContact CG2-CG1 4.43Å; T115-F125 WeakPolarHBondContact OG1-CZ 3.35Å; T115-L137 HydrophobicContact CG2-CD1 3.59Å
116	K	93.7	Very high	93.6	Very high	162 Å²	162	53 Å²	53	70%	0.704	28%	0.279	S	S	*	.			trans	-103.7	110.8	176.5	-174.7	-177.5	178.2	-176.9	0	109.1	T118 N121	K116-T118 HydrophobicContact CD-CG2 4.29Å; K116-T118 HydrophobicContact CG-CG2 4.09Å; K116-N121 PolarHBondContact O-ND2 3.23Å
117	I	94.6	Very high	93.5	Very high	38 Å²	38	56.6 Å²	56.6	20%	0.195	30%	0.296	C	S	.	.			trans	-84.7	131.6	174.9	-56.7	172.9	0	0	0	108.8	T115 N121 V122 L137 A140 F144	T115-I117 HydrophobicContact CG2-CG1 4.43Å; I117-N121 WeakPolarHBondContact CA-OD1 3.31Å; I117-V122 HydrophobicContact CG2-CB 3.81Å; I117-V122 HydrophobicContact CG2-CG2 3.76Å; I117-L137 HydrophobicContact CD1-CD1 4.39Å; I117-A140 HydrophobicContact CD1-CB 3.78Å; I117-F144 HydrophobicContact CG2-CB 4.11Å; I117-F144 HydrophobicContact CG2-CD1 4.2Å; I117-F144 HydrophobicContact CG2-CD2 3.9Å; I117-F144 HydrophobicContact CG2-CE2 4.39Å; I117-F144 HydrophobicContact CG2-CG 3.79Å
118	T	94.8	Very high	93.5	Very high	39 Å²	39	56.5 Å²	56.5	24%	0.239	30%	0.296	C	S	.	.			trans	-140.2	163.6	178.9	66.2	0	0	0	0	109.4	K116 D120 N121 V122	K116-T118 HydrophobicContact CD-CG2 4.29Å; K116-T118 HydrophobicContact CG-CG2 4.09Å; T118-D120 PolarHBondContact O-N 3.48Å; T118-N121 PolarHBondContact N-OD1 2.97Å; T118-N121 PolarHBondContact O-N 3.41Å; T118-N121 PolarHBondContact O-OD1 3.29Å; T118-N121 VanDerWaalsContact O-OD1 3.11Å; T118-N121 PolarHBondContact OG1-ND2 3.45Å; T118-N121 VanDerWaalsContact OG1-ND2 3.14Å; T118-N121 PolarHBondContact OG1-OD1 3.29Å; T118-V122 WeakPolarHBondContact O-CB 3.4Å; T118-V122 PolarHBondContact O-N 3.31Å
119	D	91.1	Very high	93.5	Very high	115 Å²	115	52.9 Å²	52.9	62%	0.615	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-39.2	177.5	-57.7	-65	0	0	0	112.4	N121 F144	D119-N121 VanDerWaalsContact C-N 3.28Å; D119-N121 PolarHBondContact O-N 3.4Å; D119-F144 WeakPolarHBondContact OD1-CE1 3.48Å; D119-F144 WeakPolarHBondContact OD1-CZ 3.23Å
120	D	91.4	Very high	93.3	Very high	162 Å²	162	52.8 Å²	52.8	87%	0.866	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.4	-179.8	-59.2	-34.6	0	0	0	115.1	T118	T118-D120 PolarHBondContact O-N 3.48Å
121	N	93.3	Very high	93.2	Very high	28 Å²	28	55.9 Å²	55.9	15%	0.15	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-10.7	-170.1	75.9	22.5	0	0	0	114.4	K116 I117 T118 D119 E123 M124 F125	K116-N121 PolarHBondContact O-ND2 3.23Å; I117-N121 WeakPolarHBondContact CA-OD1 3.31Å; T118-N121 PolarHBondContact N-OD1 2.97Å; T118-N121 PolarHBondContact O-N 3.41Å; T118-N121 PolarHBondContact O-OD1 3.29Å; T118-N121 VanDerWaalsContact O-OD1 3.11Å; T118-N121 PolarHBondContact OG1-ND2 3.45Å; T118-N121 VanDerWaalsContact OG1-ND2 3.14Å; T118-N121 PolarHBondContact OG1-OD1 3.29Å; D119-N121 VanDerWaalsContact C-N 3.28Å; D119-N121 PolarHBondContact O-N 3.4Å; N121-E123 PolarHBondContact O-N 3.41Å; N121-M124 WeakPolarHBondContact O-CB 3.29Å; N121-M124 PolarHBondContact O-N 3.29Å; N121-F125 HydrophobicContact CB-CD2 4.08Å; N121-F125 HydrophobicContact CB-CE2 4.08Å; N121-F125 VanDerWaalsContact O-CD2 3.32Å; N121-F125 WeakPolarHBondContact O-CD2 3.43Å; N121-F125 PolarHBondContact O-N 2.97Å; N121-F125 WeakPolarHBondContact OD1-CD2 3.44Å
122	V	94.2	Very high	93.1	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-41.4	-173.4	62.6	0	0	0	0	112.2	I117 T118 M124 F125 F126 C141 F144 L145	I117-V122 HydrophobicContact CG2-CB 3.81Å; I117-V122 HydrophobicContact CG2-CG2 3.76Å; T118-V122 WeakPolarHBondContact O-CB 3.4Å; T118-V122 PolarHBondContact O-N 3.31Å; V122-M124 PolarHBondContact O-N 3.45Å; V122-F125 PolarHBondContact O-N 3.41Å; V122-F126 VanDerWaalsContact O-CB 3.23Å; V122-F126 WeakPolarHBondContact O-CB 3.34Å; V122-F126 PolarHBondContact O-N 2.84Å; V122-C141 HydrophobicContact CG2-CB 4.07Å; V122-F144 HydrophobicContact CB-CD1 4.03Å; V122-F144 HydrophobicContact CB-CE1 4.31Å; V122-F144 HydrophobicContact CG1-CD1 4.14Å; V122-F144 HydrophobicContact CG1-CE1 4.17Å; V122-F144 HydrophobicContact CG2-CB 4.31Å; V122-F144 HydrophobicContact CG2-CD1 3.78Å; V122-F144 HydrophobicContact CG2-CG 4.31Å; V122-L145 HydrophobicContact CB-CD2 4.37Å; V122-L145 HydrophobicContact CG1-CD2 3.59Å; V122-L145 HydrophobicContact CG1-CG 4.42Å; V122-L145 HydrophobicContact CG2-CD1 4.26Å; V122-L145 HydrophobicContact CG2-CD2 3.84Å; V122-L145 HydrophobicContact CG2-CG 3.72Å
123	E	91.5	Very high	93.1	Very high	86 Å²	86	58.1 Å²	58.1	40%	0.402	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-43.5	178	-67.1	-173.8	-175.1	0	0	111.6	N121 F125 F126 Q127 Q156 I160	N121-E123 PolarHBondContact O-N 3.41Å; E123-F125 PolarHBondContact O-N 2.56Å; E123-F126 PolarHBondContact O-N 3Å; E123-Q127 WeakPolarHBondContact O-CB 3.43Å; E123-Q127 PolarHBondContact O-N 3.24Å; E123-Q156 PolarHBondContact OE1-NE2 2.79Å; E123-I160 HydrophobicContact CG-CD1 4.45Å
124	M	92.9	Very high	93.3	Very high	39 Å²	39	56.2 Å²	56.2	19%	0.192	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-48.2	175.4	-177.8	-164.1	72.2	0	0	110.3	K101 A102 A105 N121 V122 L128	K101-M124 HydrophobicContact CD-SD 4.23Å; K101-M124 HydrophobicContact CG-SD 4.17Å; A102-M124 HydrophobicContact CB-CG 3.8Å; A102-M124 HydrophobicContact CB-SD 3.91Å; A105-M124 HydrophobicContact CB-CE 4.22Å; N121-M124 WeakPolarHBondContact O-CB 3.29Å; N121-M124 PolarHBondContact O-N 3.29Å; V122-M124 PolarHBondContact O-N 3.45Å; M124-L128 VanDerWaalsContact O-CB 3.29Å; M124-L128 WeakPolarHBondContact O-CB 3.38Å; M124-L128 PolarHBondContact O-N 2.95Å
125	F	94.5	Very high	93.3	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.035	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-38	178.6	-82	-62.2	0	0	0	113	A105 T115 N121 V122 E123 L128 S129 L137 C141	A105-F125 HydrophobicContact CB-CE1 3.61Å; A105-F125 HydrophobicContact CB-CZ 3.79Å; T115-F125 WeakPolarHBondContact OG1-CZ 3.35Å; N121-F125 HydrophobicContact CB-CD2 4.08Å; N121-F125 HydrophobicContact CB-CE2 4.08Å; N121-F125 VanDerWaalsContact O-CD2 3.32Å; N121-F125 WeakPolarHBondContact O-CD2 3.43Å; N121-F125 PolarHBondContact O-N 2.97Å; N121-F125 WeakPolarHBondContact OD1-CD2 3.44Å; V122-F125 PolarHBondContact O-N 3.41Å; E123-F125 PolarHBondContact O-N 2.56Å; F125-L128 HydrophobicContact CD1-CD2 3.57Å; F125-L128 HydrophobicContact CE1-CD2 4.1Å; F125-L128 PolarHBondContact O-N 3.45Å; F125-S129 WeakPolarHBondContact O-CB 3.36Å; F125-S129 PolarHBondContact O-N 3.38Å; F125-S129 PolarHBondContact O-OG 3.35Å; F125-L137 HydrophobicContact CD1-CD2 4.05Å; F125-C141 WeakPolarHBondContact CB-SG 3.34Å
126	F	94	Very high	93.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-51	178.1	-172.2	-115.2	0	0	0	110.9	V122 E123 L128 S129 S130 C141 L145 I160 Y164 S166 L169	V122-F126 VanDerWaalsContact O-CB 3.23Å; V122-F126 WeakPolarHBondContact O-CB 3.34Å; V122-F126 PolarHBondContact O-N 2.84Å; E123-F126 PolarHBondContact O-N 3Å; F126-L128 PolarHBondContact O-N 3.41Å; F126-S129 PolarHBondContact O-N 2.94Å; F126-S129 PolarHBondContact O-OG 3.38Å; F126-S130 WeakPolarHBondContact O-CB 3.12Å; F126-S130 PolarHBondContact O-N 2.93Å; F126-S130 PolarHBondContact O-OG 3.16Å; F126-C141 HydrophobicContact CB-CB 3.91Å; F126-C141 HydrophobicContact CD2-CB 3.75Å; F126-C141 HydrophobicContact CG-CB 4.29Å; F126-L145 HydrophobicContact CB-CD1 4.41Å; F126-L145 HydrophobicContact CD1-CD1 4.25Å; F126-L145 HydrophobicContact CD2-CD1 4.48Å; F126-L145 HydrophobicContact CG-CD1 4.13Å; F126-I160 HydrophobicContact CD1-CG2 3.68Å; F126-I160 HydrophobicContact CE1-CG2 3.72Å; F126-Y164 AromaticContact CD1-CD2 3.73Å; F126-Y164 HydrophobicContact CD1-CD2 3.73Å; F126-Y164 HydrophobicContact CD1-CE2 4.49Å; F126-Y164 HydrophobicContact CD1-CG 4.34Å; F126-Y164 AromaticContact CE1-CD2 3.72Å; F126-Y164 HydrophobicContact CE1-CD2 3.72Å; F126-Y164 HydrophobicContact CE1-CG 4.14Å; F126-S166 VanDerWaalsContact CZ-CB 3.48Å; F126-L169 HydrophobicContact CE1-CD2 4.26Å; F126-L169 HydrophobicContact CZ-CD2 4.1Å
127	Q	92.5	Very high	93.3	Very high	74 Å²	74	49.7 Å²	49.7	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-55.8	-49.1	174.6	173.7	174.4	22.4	0	0	112	L98 E123 F131 Y164	L98-Q127 HydrophobicContact CD2-CG 4.36Å; E123-Q127 WeakPolarHBondContact O-CB 3.43Å; E123-Q127 PolarHBondContact O-N 3.24Å; Q127-F131 WeakPolarHBondContact O-CB 3.48Å; Q127-F131 PolarHBondContact O-N 3.03Å; Q127-Y164 HydrophobicContact CB-CE1 3.93Å; Q127-Y164 HydrophobicContact CB-CE2 4.07Å; Q127-Y164 HydrophobicContact CG-CE1 3.62Å; Q127-Y164 VanDerWaalsContact CG-OH 3.24Å; Q127-Y164 WeakPolarHBondContact CG-OH 3.31Å; Q127-Y164 PolarHBondContact NE2-OH 3.49Å
128	L	93.3	Very high	93.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-50.8	179	129.3	71.6	0	0	0	110.9	L98 F106 M124 F125 F126 S130 F131 L132	L98-L128 HydrophobicContact CD2-CB 4.47Å; F106-L128 HydrophobicContact CB-CD1 3.5Å; F106-L128 VanDerWaalsContact CB-CD1 3.5Å; F106-L128 HydrophobicContact CB-CD2 4.02Å; F106-L128 HydrophobicContact CB-CG 4.42Å; F106-L128 HydrophobicContact CD2-CD1 4.07Å; F106-L128 HydrophobicContact CG-CD1 3.92Å; M124-L128 VanDerWaalsContact O-CB 3.29Å; M124-L128 WeakPolarHBondContact O-CB 3.38Å; M124-L128 PolarHBondContact O-N 2.95Å; F125-L128 HydrophobicContact CD1-CD2 3.57Å; F125-L128 HydrophobicContact CE1-CD2 4.1Å; F125-L128 PolarHBondContact O-N 3.45Å; F126-L128 PolarHBondContact O-N 3.41Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.47Å; L128-F131 PolarHBondContact O-N 2.87Å; L128-L132 HydrophobicContact CD1-CB 4.43Å; L128-L132 HydrophobicContact CD1-CD1 3.38Å; L128-L132 HydrophobicContact CD1-CG 4Å; L128-L132 WeakPolarHBondContact O-CB 3.19Å; L128-L132 PolarHBondContact O-N 2.76Å
129	S	94.4	Very high	93.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-71.7	-32.7	-171.3	58.7	0	0	0	0	111.5	F125 F126 Q133 V134 S138	F125-S129 WeakPolarHBondContact O-CB 3.36Å; F125-S129 PolarHBondContact O-N 3.38Å; F125-S129 PolarHBondContact O-OG 3.35Å; F126-S129 PolarHBondContact O-N 2.94Å; F126-S129 PolarHBondContact O-OG 3.38Å; S129-Q133 CarbonylContact O-C 3.48Å; S129-Q133 VanDerWaalsContact O-CA 3.29Å; S129-Q133 WeakPolarHBondContact O-CA 3.33Å; S129-Q133 PolarHBondContact O-N 2.85Å; S129-V134 PolarHBondContact O-N 3.49Å; S129-S138 WeakPolarHBondContact OG-CA 3.42Å; S129-S138 WeakPolarHBondContact OG-CB 3.29Å; S129-S138 PolarHBondContact OG-N 3.4Å
130	S	92.8	Very high	93.5	Very high	26 Å²	26	49.5 Å²	49.5	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-69.4	-44.1	170.7	-64.3	0	0	0	0	111.9	F126 L128 Q133 S138	F126-S130 WeakPolarHBondContact O-CB 3.12Å; F126-S130 PolarHBondContact O-N 2.93Å; F126-S130 PolarHBondContact O-OG 3.16Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.47Å; S130-Q133 PolarHBondContact O-N 3.28Å; S130-S138 PolarHBondContact OG-OG 2.97Å
131	F	92.1	Very high	93.7	Very high	74 Å²	74	41.8 Å²	41.8	33%	0.325	21%	0.212	S	C	.	.	H	α-helix	trans	-64	-48.1	178.3	177.7	-97.5	0	0	0	112.8	F76 L98 Q127 L128 Q133	F76-F131 HydrophobicContact CE2-CZ 4.37Å; F76-F131 HydrophobicContact CZ-CE1 4.38Å; F76-F131 HydrophobicContact CZ-CZ 4.34Å; L98-F131 HydrophobicContact CD1-CD1 3.78Å; L98-F131 HydrophobicContact CD1-CE1 4.25Å; L98-F131 HydrophobicContact CG-CD1 4.26Å; Q127-F131 WeakPolarHBondContact O-CB 3.48Å; Q127-F131 PolarHBondContact O-N 3.03Å; L128-F131 PolarHBondContact O-N 2.87Å; F131-Q133 PolarHBondContact O-N 3.48Å
132	L	93.6	Very high	93.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	0.4	178.3	-63	-175.1	0	0	0	112.9	S74 F76 F77 L98 F106 L128 V134	S74-L132 WeakPolarHBondContact CB-O 3.39Å; S74-L132 PolarHBondContact OG-O 3.29Å; F76-L132 WeakPolarHBondContact CB-O 3.37Å; F76-L132 HydrophobicContact CD1-CD2 3.82Å; F76-L132 HydrophobicContact CE1-CD2 4.22Å; F76-L132 HydrophobicContact CG-CD2 4.41Å; F77-L132 HydrophobicContact CE2-CD1 4.16Å; F77-L132 HydrophobicContact CE2-CD2 3.79Å; F77-L132 HydrophobicContact CZ-CD2 4.17Å; L98-L132 HydrophobicContact CD1-CD1 4.47Å; L98-L132 HydrophobicContact CD1-CD2 4.47Å; L98-L132 HydrophobicContact CD1-CG 4.3Å; F106-L132 HydrophobicContact CB-CD1 4.23Å; F106-L132 HydrophobicContact CD1-CD1 3.55Å; F106-L132 HydrophobicContact CD2-CD1 3.8Å; F106-L132 HydrophobicContact CE1-CD1 3.79Å; F106-L132 HydrophobicContact CE2-CD1 4.03Å; F106-L132 HydrophobicContact CG-CD1 3.55Å; F106-L132 HydrophobicContact CZ-CD1 4.02Å; L128-L132 HydrophobicContact CD1-CB 4.43Å; L128-L132 HydrophobicContact CD1-CD1 3.38Å; L128-L132 HydrophobicContact CD1-CG 4Å; L128-L132 WeakPolarHBondContact O-CB 3.19Å; L128-L132 PolarHBondContact O-N 2.76Å; L132-V134 HydrophobicContact CB-CG2 3.98Å; L132-V134 PolarHBondContact O-N 2.91Å
133	Q	94.3	Very high	94	Very high	101 Å²	101	43.4 Å²	43.4	47%	0.472	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	49.8	-179.1	-56.5	-179.8	-1.9	0	0	112.9	D75 S129 S130 F131 S135	D75-Q133 HydrophobicContact CB-CB 3.78Å; D75-Q133 VanDerWaalsContact CB-OE1 3.29Å; D75-Q133 PolarHBondContact N-O 3.2Å; S129-Q133 CarbonylContact O-C 3.48Å; S129-Q133 VanDerWaalsContact O-CA 3.29Å; S129-Q133 WeakPolarHBondContact O-CA 3.33Å; S129-Q133 PolarHBondContact O-N 2.85Å; S130-Q133 PolarHBondContact O-N 3.28Å; F131-Q133 PolarHBondContact O-N 3.48Å; Q133-S135 PolarHBondContact O-N 3.27Å
134	V	95.6	Very high	94.2	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.03	22%	0.215	C	C	.	.			trans	-95.5	81.9	173.8	-172.8	0	0	0	0	108.2	F106 Y109 S129 L132 F136 L137 S138	F106-V134 HydrophobicContact CD2-CG2 3.99Å; F106-V134 HydrophobicContact CE2-CG2 3.59Å; Y109-V134 HydrophobicContact CD1-CG1 4.22Å; Y109-V134 HydrophobicContact CE1-CG1 3.62Å; S129-V134 PolarHBondContact O-N 3.49Å; L132-V134 HydrophobicContact CB-CG2 3.98Å; L132-V134 PolarHBondContact O-N 2.91Å; V134-F136 PolarHBondContact O-N 2.84Å; V134-L137 HydrophobicContact CB-CB 4.25Å; V134-L137 HydrophobicContact CG1-CB 3.7Å; V134-L137 HydrophobicContact CG1-CD2 4.5Å; V134-L137 PolarHBondContact O-N 3.15Å; V134-L137 VanDerWaalsContact O-N 3.16Å; V134-S138 PolarHBondContact O-N 3.31Å
135	S	92.1	Very high	94.4	Very high	90 Å²	90	40.7 Å²	40.7	63%	0.629	21%	0.207	S	C	*	.	H	α-helix	trans	-55.1	-45.1	-167.7	48.3	0	0	0	0	114.5	Q133 L137 S138 K139	Q133-S135 PolarHBondContact O-N 3.27Å; S135-L137 PolarHBondContact O-N 3.36Å; S135-S138 PolarHBondContact O-N 3.09Å; S135-K139 WeakPolarHBondContact O-CB 3.49Å; S135-K139 PolarHBondContact O-N 3.26Å
136	F	93	Very high	94.5	Very high	150 Å²	150	42 Å²	42	66%	0.658	21%	0.214	S	C	*	.	H	α-helix	trans	-62.8	-42.6	178.9	-174.4	-89.3	0	0	0	112.5	Y109 V134 A140	Y109-F136 WeakPolarHBondContact OH-CD1 3.37Å; V134-F136 PolarHBondContact O-N 2.84Å; F136-A140 WeakPolarHBondContact O-CB 3.49Å; F136-A140 PolarHBondContact O-N 3.47Å
137	L	94.4	Very high	94.6	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-69.4	-42.1	178.9	-178.6	57	0	0	0	111.3	Y109 T115 I117 F125 V134 S135 K139 A140 C141	Y109-L137 HydrophobicContact CD1-CD2 4.28Å; Y109-L137 HydrophobicContact CE1-CB 4.34Å; Y109-L137 HydrophobicContact CG-CD2 4.41Å; T115-L137 HydrophobicContact CG2-CD1 3.59Å; I117-L137 HydrophobicContact CD1-CD1 4.39Å; F125-L137 HydrophobicContact CD1-CD2 4.05Å; V134-L137 HydrophobicContact CB-CB 4.25Å; V134-L137 HydrophobicContact CG1-CB 3.7Å; V134-L137 HydrophobicContact CG1-CD2 4.5Å; V134-L137 PolarHBondContact O-N 3.15Å; V134-L137 VanDerWaalsContact O-N 3.16Å; S135-L137 PolarHBondContact O-N 3.36Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 3.47Å; L137-A140 PolarHBondContact O-N 2.95Å; L137-C141 PolarHBondContact O-N 3.49Å; L137-C141 PolarHBondContact O-SG 3.02Å; L137-C141 VanDerWaalsContact O-SG 3.38Å
138	S	93.9	Very high	94.8	Very high	21 Å²	21	48.6 Å²	48.6	15%	0.147	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-44	176.2	-177.6	0	0	0	0	111.4	S129 S130 V134 S135 C141 S142	S129-S138 WeakPolarHBondContact OG-CA 3.42Å; S129-S138 WeakPolarHBondContact OG-CB 3.29Å; S129-S138 PolarHBondContact OG-N 3.4Å; S130-S138 PolarHBondContact OG-OG 2.97Å; V134-S138 PolarHBondContact O-N 3.31Å; S135-S138 PolarHBondContact O-N 3.09Å; S138-C141 PolarHBondContact O-N 2.79Å; S138-S142 WeakPolarHBondContact O-CB 3.43Å; S138-S142 PolarHBondContact O-N 3.49Å
139	K	94.7	Very high	94.9	Very high	136 Å²	136	49.8 Å²	49.8	59%	0.591	25%	0.252	S	S	*	.	H	α-helix	trans	-61.6	-47.6	174.1	-174.7	175.5	-179.9	178.3	0	112.2	S135 L137 C141 S142 D143	S135-K139 WeakPolarHBondContact O-CB 3.49Å; S135-K139 PolarHBondContact O-N 3.26Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 3.47Å; K139-C141 VanDerWaalsContact C-N 3.3Å; K139-C141 PolarHBondContact O-N 3.44Å; K139-S142 WeakPolarHBondContact O-CB 3.44Å; K139-S142 PolarHBondContact O-N 3.24Å; K139-S142 VanDerWaalsContact O-N 3.15Å; K139-D143 VanDerWaalsContact O-CG 3.3Å; K139-D143 PolarHBondContact O-N 3.29Å
140	A	95.3	Very high	94.9	Very high	31 Å²	31	53 Å²	53	26%	0.256	27%	0.269	S	S	.	.	H	α-helix	trans	-60.9	-38.7	179	0	0	0	0	0	112.5	I117 F136 L137 F144	I117-A140 HydrophobicContact CD1-CB 3.78Å; F136-A140 WeakPolarHBondContact O-CB 3.49Å; F136-A140 PolarHBondContact O-N 3.47Å; L137-A140 PolarHBondContact O-N 2.95Å; A140-F144 WeakPolarHBondContact O-CB 3.33Å; A140-F144 PolarHBondContact O-N 3.28Å; A140-F144 VanDerWaalsContact O-N 3.09Å
141	C	95.9	Very high	94.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-43.8	173	-71.3	0	0	0	0	112	V122 F125 F126 L137 S138 K139 D143 F144 L145	V122-C141 HydrophobicContact CG2-CB 4.07Å; F125-C141 WeakPolarHBondContact CB-SG 3.34Å; F126-C141 HydrophobicContact CB-CB 3.91Å; F126-C141 HydrophobicContact CD2-CB 3.75Å; F126-C141 HydrophobicContact CG-CB 4.29Å; L137-C141 PolarHBondContact O-N 3.49Å; L137-C141 PolarHBondContact O-SG 3.02Å; L137-C141 VanDerWaalsContact O-SG 3.38Å; S138-C141 PolarHBondContact O-N 2.79Å; K139-C141 VanDerWaalsContact C-N 3.3Å; K139-C141 PolarHBondContact O-N 3.44Å; C141-D143 PolarHBondContact O-N 3.32Å; C141-F144 PolarHBondContact O-N 2.99Å; C141-L145 WeakPolarHBondContact O-CG 3.48Å; C141-L145 PolarHBondContact O-N 3.25Å
142	S	96.3	Very high	94.9	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.028	30%	0.299	C	S	.	.	H	α-helix	trans	-57.1	-48.8	174.6	-173.6	0	0	0	0	111.4	S138 K139 F144 L145 I146 S166 L169	S138-S142 WeakPolarHBondContact O-CB 3.43Å; S138-S142 PolarHBondContact O-N 3.49Å; K139-S142 WeakPolarHBondContact O-CB 3.44Å; K139-S142 PolarHBondContact O-N 3.24Å; K139-S142 VanDerWaalsContact O-N 3.15Å; S142-F144 VanDerWaalsContact C-N 3.29Å; S142-F144 PolarHBondContact O-N 2.98Å; S142-L145 PolarHBondContact O-N 2.87Å; S142-I146 VanDerWaalsContact O-CG1 3.25Å; S142-I146 WeakPolarHBondContact O-CG1 3.36Å; S142-I146 PolarHBondContact O-N 3.19Å; S142-S166 PolarHBondContact OG-OG 3.14Å; S142-L169 WeakPolarHBondContact OG-CB 3.25Å
143	D	96.3	Very high	94.9	Very high	64 Å²	64	59.1 Å²	59.1	34%	0.342	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-35.5	179.4	-67.9	-15.7	0	0	0	112.2	K139 C141 K147	K139-D143 VanDerWaalsContact O-CG 3.3Å; K139-D143 PolarHBondContact O-N 3.29Å; C141-D143 PolarHBondContact O-N 3.32Å; D143-K147 WeakPolarHBondContact O-CG 3.42Å; D143-K147 PolarHBondContact O-N 2.72Å
144	F	96.6	Very high	94.8	Very high	62 Å²	62	54.3 Å²	54.3	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-66.3	-48	173.5	-174.5	-82.2	0	0	0	111	I117 D119 V122 A140 C141 S142 I146 K147 S148	I117-F144 HydrophobicContact CG2-CB 4.11Å; I117-F144 HydrophobicContact CG2-CD1 4.2Å; I117-F144 HydrophobicContact CG2-CD2 3.9Å; I117-F144 HydrophobicContact CG2-CE2 4.39Å; I117-F144 HydrophobicContact CG2-CG 3.79Å; D119-F144 WeakPolarHBondContact OD1-CE1 3.48Å; D119-F144 WeakPolarHBondContact OD1-CZ 3.23Å; V122-F144 HydrophobicContact CB-CD1 4.03Å; V122-F144 HydrophobicContact CB-CE1 4.31Å; V122-F144 HydrophobicContact CG1-CD1 4.14Å; V122-F144 HydrophobicContact CG1-CE1 4.17Å; V122-F144 HydrophobicContact CG2-CB 4.31Å; V122-F144 HydrophobicContact CG2-CD1 3.78Å; V122-F144 HydrophobicContact CG2-CG 4.31Å; A140-F144 WeakPolarHBondContact O-CB 3.33Å; A140-F144 PolarHBondContact O-N 3.28Å; A140-F144 VanDerWaalsContact O-N 3.09Å; C141-F144 PolarHBondContact O-N 2.99Å; S142-F144 VanDerWaalsContact C-N 3.29Å; S142-F144 PolarHBondContact O-N 2.98Å; F144-I146 PolarHBondContact O-N 3.37Å; F144-K147 PolarHBondContact O-N 2.92Å; F144-S148 PolarHBondContact O-N 3.31Å
145	L	96.7	Very high	94.7	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-42.2	-180	-71.9	175.2	0	0	0	111.8	V122 F126 C141 S142 K147 S148 I149 L157 L169	V122-L145 HydrophobicContact CB-CD2 4.37Å; V122-L145 HydrophobicContact CG1-CD2 3.59Å; V122-L145 HydrophobicContact CG1-CG 4.42Å; V122-L145 HydrophobicContact CG2-CD1 4.26Å; V122-L145 HydrophobicContact CG2-CD2 3.84Å; V122-L145 HydrophobicContact CG2-CG 3.72Å; F126-L145 HydrophobicContact CB-CD1 4.41Å; F126-L145 HydrophobicContact CD1-CD1 4.25Å; F126-L145 HydrophobicContact CD2-CD1 4.48Å; F126-L145 HydrophobicContact CG-CD1 4.13Å; C141-L145 WeakPolarHBondContact O-CG 3.48Å; C141-L145 PolarHBondContact O-N 3.25Å; S142-L145 PolarHBondContact O-N 2.87Å; L145-K147 VanDerWaalsContact C-N 3.27Å; L145-K147 PolarHBondContact O-N 2.94Å; L145-S148 WeakPolarHBondContact CA-OG 3.1Å; L145-S148 CarbonylContact O-C 3.56Å; L145-S148 WeakPolarHBondContact O-CA 3.43Å; L145-S148 PolarHBondContact O-N 3.42Å; L145-S148 PolarHBondContact O-OG 3.31Å; L145-I149 PolarHBondContact O-N 3.3Å; L145-L157 HydrophobicContact CB-CD2 4.33Å; L145-L157 HydrophobicContact CD1-CD2 4.19Å; L145-L157 HydrophobicContact CD2-CD2 3.79Å; L145-L157 HydrophobicContact CG-CD2 4.32Å; L145-L169 HydrophobicContact CB-CD1 3.75Å; L145-L169 HydrophobicContact CB-CD2 3.95Å; L145-L169 HydrophobicContact CD1-CD2 3.64Å; L145-L169 HydrophobicContact CG-CD2 4.45Å
146	I	97.3	Very high	94.6	Very high	35 Å²	35	55.5 Å²	55.5	18%	0.179	28%	0.28	C	S	.	.	H	α-helix	trans	-55.2	-43.6	176.2	-70.8	166.9	0	0	0	111.1	S142 F144 S148 I149 L169 H172	S142-I146 VanDerWaalsContact O-CG1 3.25Å; S142-I146 WeakPolarHBondContact O-CG1 3.36Å; S142-I146 PolarHBondContact O-N 3.19Å; F144-I146 PolarHBondContact O-N 3.37Å; I146-S148 PolarHBondContact O-N 3.42Å; I146-I149 WeakPolarHBondContact O-CG1 3.24Å; I146-I149 PolarHBondContact O-N 3.24Å; I146-L169 HydrophobicContact CG1-CB 4.45Å; I146-L169 HydrophobicContact CG1-CD1 3.65Å; I146-H172 HydrophobicContact CG1-CB 4.14Å; I146-H172 HydrophobicContact CG2-CB 4.11Å
147	K	96.4	Very high	94.6	Very high	184 Å²	184	48.5 Å²	48.5	80%	0.8	25%	0.25	S	C	*	.	H	α-helix	trans	-69.8	-18.2	178.6	-67	173.3	-171.6	177.3	0	113.5	D143 F144 L145	D143-K147 WeakPolarHBondContact O-CG 3.42Å; D143-K147 PolarHBondContact O-N 2.72Å; F144-K147 PolarHBondContact O-N 2.92Å; L145-K147 VanDerWaalsContact C-N 3.27Å; L145-K147 PolarHBondContact O-N 2.94Å
148	S	95.6	Very high	94.5	Very high	29 Å²	29	48.5 Å²	48.5	20%	0.203	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-2.6	-178.4	76.4	0	0	0	0	114	F144 L145 I146 N150 N153	F144-S148 PolarHBondContact O-N 3.31Å; L145-S148 WeakPolarHBondContact CA-OG 3.1Å; L145-S148 CarbonylContact O-C 3.56Å; L145-S148 WeakPolarHBondContact O-CA 3.43Å; L145-S148 PolarHBondContact O-N 3.42Å; L145-S148 PolarHBondContact O-OG 3.31Å; I146-S148 PolarHBondContact O-N 3.42Å; S148-N150 PolarHBondContact O-N 2.93Å; S148-N150 PolarHBondContact O-ND2 3.22Å; S148-N153 PolarHBondContact O-ND2 3.18Å
149	I	96	Very high	94.3	Very high	26 Å²	26	50.5 Å²	50.5	13%	0.133	26%	0.264	C	S	.	.			trans	-59	130.2	-177.4	-64.4	168.2	0	0	0	110.3	L145 I146 N153 C154 L157 L169 H172 A173 F176	L145-I149 PolarHBondContact O-N 3.3Å; I146-I149 WeakPolarHBondContact O-CG1 3.24Å; I146-I149 PolarHBondContact O-N 3.24Å; I149-N153 WeakPolarHBondContact CA-OD1 3.25Å; I149-C154 HydrophobicContact CG2-CB 4Å; I149-L157 HydrophobicContact CB-CD1 4.47Å; I149-L157 HydrophobicContact CG1-CD1 3.71Å; I149-L169 HydrophobicContact CD1-CD1 4.37Å; I149-H172 HydrophobicContact CD1-CB 4.05Å; I149-A173 HydrophobicContact CD1-CB 4.12Å; I149-F176 HydrophobicContact CG2-CB 3.7Å; I149-F176 HydrophobicContact CG2-CD1 3.63Å; I149-F176 HydrophobicContact CG2-CD2 3.69Å; I149-F176 HydrophobicContact CG2-CE1 4.17Å; I149-F176 HydrophobicContact CG2-CE2 4.22Å; I149-F176 HydrophobicContact CG2-CG 3.37Å; I149-F176 HydrophobicContact CG2-CZ 4.45Å
150	N	95	Very high	94.1	Very high	66 Å²	66	45.1 Å²	45.1	35%	0.353	24%	0.241	S	C	.	.			trans	-151.3	177.1	176.7	62.6	66.8	0	0	0	111	S148 V152 N153 C154 F176	S148-N150 PolarHBondContact O-N 2.93Å; S148-N150 PolarHBondContact O-ND2 3.22Å; N150-V152 PolarHBondContact O-N 2.98Å; N150-V152 VanDerWaalsContact O-N 3.14Å; N150-V152 WeakPolarHBondContact OD1-CA 3.47Å; N150-V152 VanDerWaalsContact OD1-CB 3.31Å; N150-V152 WeakPolarHBondContact OD1-CB 3.43Å; N150-V152 PolarHBondContact OD1-N 3.49Å; N150-N153 PolarHBondContact N-OD1 3.44Å; N150-N153 PolarHBondContact ND2-ND2 2.91Å; N150-N153 PolarHBondContact ND2-OD1 2.96Å; N150-N153 PolarHBondContact O-N 3.36Å; N150-N153 PolarHBondContact O-OD1 3.22Å; N150-N153 PolarHBondContact OD1-N 2.97Å; N150-N153 VanDerWaalsContact OD1-N 3.15Å; N150-N153 PolarHBondContact OD1-OD1 2.75Å; N150-C154 WeakPolarHBondContact O-CB 3.31Å; N150-C154 PolarHBondContact O-N 3.03Å; N150-C154 PolarHBondContact O-SG 3.49Å; N150-C154 VanDerWaalsContact O-SG 3.41Å; N150-F176 VanDerWaalsContact C-CE1 3.47Å
151	L	92.8	Very high	94	Very high	79 Å²	79	43.6 Å²	43.6	41%	0.414	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.5	-177.7	-67.7	173.1	0	0	0	114.2	F176 H180 L183 L184	L151-F176 HydrophobicContact CD2-CE1 4.1Å; L151-F176 HydrophobicContact CD2-CZ 4.44Å; L151-F176 HydrophobicContact CG-CE1 4.48Å; L151-H180 HydrophobicContact CD2-CB 3.55Å; L151-L183 HydrophobicContact CD1-CD1 4.17Å; L151-L183 HydrophobicContact CD2-CB 4.39Å; L151-L183 HydrophobicContact CD2-CD1 4.36Å; L151-L184 HydrophobicContact CD2-CD2 4.11Å; L151-L184 HydrophobicContact CD2-CG 4.39Å; L151-L184 WeakPolarHBondContact O-CD2 3.21Å
152	V	91.5	Very high	93.7	Very high	122 Å²	122	48.1 Å²	48.1	74%	0.739	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-40.8	-177.2	-174.8	0	0	0	0	111.3	N150	N150-V152 PolarHBondContact O-N 2.98Å; N150-V152 VanDerWaalsContact O-N 3.14Å; N150-V152 WeakPolarHBondContact OD1-CA 3.47Å; N150-V152 VanDerWaalsContact OD1-CB 3.31Å; N150-V152 WeakPolarHBondContact OD1-CB 3.43Å; N150-V152 PolarHBondContact OD1-N 3.49Å
153	N	92.6	Very high	93.4	Very high	30 Å²	30	52 Å²	52	16%	0.16	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-12.4	-173.4	69.6	4.4	0	0	0	114.9	S148 I149 N150 L155 Q156 L157	S148-N153 PolarHBondContact O-ND2 3.18Å; I149-N153 WeakPolarHBondContact CA-OD1 3.25Å; N150-N153 PolarHBondContact N-OD1 3.44Å; N150-N153 PolarHBondContact ND2-ND2 2.91Å; N150-N153 PolarHBondContact ND2-OD1 2.96Å; N150-N153 PolarHBondContact O-N 3.36Å; N150-N153 PolarHBondContact O-OD1 3.22Å; N150-N153 PolarHBondContact OD1-N 2.97Å; N150-N153 VanDerWaalsContact OD1-N 3.15Å; N150-N153 PolarHBondContact OD1-OD1 2.75Å; N153-L155 PolarHBondContact O-N 3.41Å; N153-Q156 WeakPolarHBondContact O-CB 3.5Å; N153-Q156 PolarHBondContact O-N 3.34Å; N153-Q156 VanDerWaalsContact O-N 3.11Å; N153-L157 HydrophobicContact CB-CD1 4.36Å; N153-L157 HydrophobicContact CB-CG 4.39Å; N153-L157 WeakPolarHBondContact O-CG 3.43Å; N153-L157 PolarHBondContact O-N 3.49Å
154	C	93.9	Very high	93.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-42.1	-170.9	58.8	0	0	0	0	114.4	I149 N150 L157 L158 F176 V177	I149-C154 HydrophobicContact CG2-CB 4Å; N150-C154 WeakPolarHBondContact O-CB 3.31Å; N150-C154 PolarHBondContact O-N 3.03Å; N150-C154 PolarHBondContact O-SG 3.49Å; N150-C154 VanDerWaalsContact O-SG 3.41Å; C154-L157 PolarHBondContact O-N 3.32Å; C154-L158 PolarHBondContact O-N 2.95Å; C154-F176 HydrophobicContact CB-CD1 3.71Å; C154-F176 HydrophobicContact CB-CE1 4.14Å; C154-V177 HydrophobicContact CB-CG2 3.9Å
155	L	91.8	Very high	92.6	Very high	26 Å²	26	52.5 Å²	52.5	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-68.1	-38.5	178.5	-63.1	177.1	0	0	0	112	N153 L158 S159 V177 D189 F190 M193	N153-L155 PolarHBondContact O-N 3.41Å; L155-L158 WeakPolarHBondContact O-CB 3.25Å; L155-L158 PolarHBondContact O-N 2.7Å; L155-S159 PolarHBondContact O-N 3.48Å; L155-S159 VanDerWaalsContact O-N 3.15Å; L155-V177 HydrophobicContact CD2-CG1 4.32Å; L155-V177 HydrophobicContact CD2-CG2 3.98Å; L155-D189 HydrophobicContact CD1-CB 3.96Å; L155-F190 HydrophobicContact CD1-CB 4.28Å; L155-M193 HydrophobicContact CD2-SD 4.06Å
156	Q	90.6	Very high	92.4	Very high	93 Å²	93	53.1 Å²	53.1	44%	0.435	30%	0.3	S	S	.	.	H	α-helix	trans	-65.3	-43.6	174	-173.3	-169.8	-13.3	0	0	110.7	E123 N153 L158 S159 I160	E123-Q156 PolarHBondContact OE1-NE2 2.79Å; N153-Q156 WeakPolarHBondContact O-CB 3.5Å; N153-Q156 PolarHBondContact O-N 3.34Å; N153-Q156 VanDerWaalsContact O-N 3.11Å; Q156-L158 VanDerWaalsContact C-N 3.32Å; Q156-L158 PolarHBondContact O-N 2.94Å; Q156-S159 WeakPolarHBondContact O-CB 3.44Å; Q156-S159 PolarHBondContact O-N 3.49Å; Q156-S159 VanDerWaalsContact O-N 3.16Å; Q156-I160 HydrophobicContact CG-CD1 3.82Å; Q156-I160 HydrophobicContact CG-CG1 4.41Å; Q156-I160 WeakPolarHBondContact O-CB 3.2Å; Q156-I160 WeakPolarHBondContact O-CG1 3.31Å; Q156-I160 PolarHBondContact O-N 2.86Å
157	L	93.8	Very high	92.2	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-34.1	178.1	-67.8	178.9	0	0	0	112.4	L145 I149 N153 C154 S161 A173	L145-L157 HydrophobicContact CB-CD2 4.33Å; L145-L157 HydrophobicContact CD1-CD2 4.19Å; L145-L157 HydrophobicContact CD2-CD2 3.79Å; L145-L157 HydrophobicContact CG-CD2 4.32Å; I149-L157 HydrophobicContact CB-CD1 4.47Å; I149-L157 HydrophobicContact CG1-CD1 3.71Å; N153-L157 HydrophobicContact CB-CD1 4.36Å; N153-L157 HydrophobicContact CB-CG 4.39Å; N153-L157 WeakPolarHBondContact O-CG 3.43Å; N153-L157 PolarHBondContact O-N 3.49Å; C154-L157 PolarHBondContact O-N 3.32Å; L157-S161 WeakPolarHBondContact O-CB 3.37Å; L157-S161 PolarHBondContact O-N 3.39Å; L157-S161 PolarHBondContact O-OG 2.87Å; L157-A173 HydrophobicContact CB-CB 4.45Å
158	L	92.4	Very high	92.2	Very high	3 Å²	3	50 Å²	50	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-48.5	169.2	-85.4	173.6	0	0	0	112	C154 L155 Q156 S161 D162 F170 A173 L174 V177 V197	C154-L158 PolarHBondContact O-N 2.95Å; L155-L158 WeakPolarHBondContact O-CB 3.25Å; L155-L158 PolarHBondContact O-N 2.7Å; Q156-L158 VanDerWaalsContact C-N 3.32Å; Q156-L158 PolarHBondContact O-N 2.94Å; L158-S161 WeakPolarHBondContact CA-OG 3.37Å; L158-S161 PolarHBondContact O-N 3.36Å; L158-S161 PolarHBondContact O-OG 2.87Å; L158-D162 WeakPolarHBondContact O-CB 3.26Å; L158-D162 PolarHBondContact O-N 3.16Å; L158-D162 VanDerWaalsContact O-N 3.08Å; L158-F170 HydrophobicContact CD2-CD2 3.78Å; L158-F170 HydrophobicContact CD2-CE2 3.77Å; L158-F170 HydrophobicContact CD2-CG 4.21Å; L158-F170 HydrophobicContact CD2-CZ 4.19Å; L158-F170 WeakPolarHBondContact CD2-O 3.47Å; L158-A173 HydrophobicContact CD2-CB 3.86Å; L158-A173 HydrophobicContact CG-CB 3.76Å; L158-L174 HydrophobicContact CD2-CB 3.88Å; L158-V177 HydrophobicContact CD1-CB 4.11Å; L158-V177 HydrophobicContact CD1-CG1 4.47Å; L158-V177 HydrophobicContact CD1-CG2 3.56Å; L158-V197 HydrophobicContact CD1-CG1 3.89Å
159	S	89.8	Confident	92.2	Very high	62 Å²	62	48.6 Å²	48.6	43%	0.434	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-43.5	178.8	-175.6	0	0	0	0	112.3	L155 Q156 S163	L155-S159 PolarHBondContact O-N 3.48Å; L155-S159 VanDerWaalsContact O-N 3.15Å; Q156-S159 WeakPolarHBondContact O-CB 3.44Å; Q156-S159 PolarHBondContact O-N 3.49Å; Q156-S159 VanDerWaalsContact O-N 3.16Å; S159-S163 VanDerWaalsContact O-CB 3.31Å; S159-S163 WeakPolarHBondContact O-CB 3.49Å; S159-S163 PolarHBondContact O-N 2.82Å; S159-S163 PolarHBondContact O-OG 3.48Å
160	I	89.9	Confident	92.2	Very high	23 Å²	23	48 Å²	48	12%	0.118	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-43.7	179.4	-74.3	177	0	0	0	111	E123 F126 Q156 S163 Y164	E123-I160 HydrophobicContact CG-CD1 4.45Å; F126-I160 HydrophobicContact CD1-CG2 3.68Å; F126-I160 HydrophobicContact CE1-CG2 3.72Å; Q156-I160 HydrophobicContact CG-CD1 3.82Å; Q156-I160 HydrophobicContact CG-CG1 4.41Å; Q156-I160 WeakPolarHBondContact O-CB 3.2Å; Q156-I160 WeakPolarHBondContact O-CG1 3.31Å; Q156-I160 PolarHBondContact O-N 2.86Å; I160-S163 PolarHBondContact O-N 3.03Å; I160-Y164 HydrophobicContact CG2-CD2 3.68Å; I160-Y164 HydrophobicContact CG2-CE2 3.87Å; I160-Y164 WeakPolarHBondContact O-CD2 3.48Å; I160-Y164 PolarHBondContact O-N 3.19Å
161	S	93.1	Very high	92.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-39.4	179.6	53.8	0	0	0	0	112.8	L157 L158 G165 S166 F170	L157-S161 WeakPolarHBondContact O-CB 3.37Å; L157-S161 PolarHBondContact O-N 3.39Å; L157-S161 PolarHBondContact O-OG 2.87Å; L158-S161 WeakPolarHBondContact CA-OG 3.37Å; L158-S161 PolarHBondContact O-N 3.36Å; L158-S161 PolarHBondContact O-OG 2.87Å; S161-G165 PolarHBondContact O-N 3.01Å; S161-S166 PolarHBondContact O-N 3.26Å; S161-F170 VanDerWaalsContact OG-CA 3.25Å; S161-F170 WeakPolarHBondContact OG-CA 3.43Å; S161-F170 WeakPolarHBondContact OG-CB 3.47Å; S161-F170 PolarHBondContact OG-N 3.48Å
162	D	90.3	Very high	92.4	Very high	94 Å²	94	50 Å²	50	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-47.8	173.5	-167.8	46.3	0	0	0	111	L158 Y164 G165 F170	L158-D162 WeakPolarHBondContact O-CB 3.26Å; L158-D162 PolarHBondContact O-N 3.16Å; L158-D162 VanDerWaalsContact O-N 3.08Å; D162-Y164 VanDerWaalsContact C-N 3.26Å; D162-Y164 PolarHBondContact O-N 3.44Å; D162-G165 PolarHBondContact O-N 3.11Å; D162-F170 HydrophobicContact CB-CD2 3.97Å; D162-F170 HydrophobicContact CB-CE2 4.03Å
163	S	88.6	Confident	92.6	Very high	85 Å²	85	44.2 Å²	44.2	59%	0.594	26%	0.259	S	S	*	.	H	α-helix	trans	-60.4	-33.5	-179.7	-61.9	0	0	0	0	113.6	S159 I160	S159-S163 VanDerWaalsContact O-CB 3.31Å; S159-S163 WeakPolarHBondContact O-CB 3.49Å; S159-S163 PolarHBondContact O-N 2.82Å; S159-S163 PolarHBondContact O-OG 3.48Å; I160-S163 PolarHBondContact O-N 3.03Å
164	Y	89.6	Confident	92.7	Very high	76 Å²	76	43.6 Å²	43.6	30%	0.298	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	7.1	-178.4	-61.6	-57.5	0	0	0	114	F126 Q127 I160 D162 S166	F126-Y164 AromaticContact CD1-CD2 3.73Å; F126-Y164 HydrophobicContact CD1-CD2 3.73Å; F126-Y164 HydrophobicContact CD1-CE2 4.49Å; F126-Y164 HydrophobicContact CD1-CG 4.34Å; F126-Y164 AromaticContact CE1-CD2 3.72Å; F126-Y164 HydrophobicContact CE1-CD2 3.72Å; F126-Y164 HydrophobicContact CE1-CG 4.14Å; Q127-Y164 HydrophobicContact CB-CE1 3.93Å; Q127-Y164 HydrophobicContact CB-CE2 4.07Å; Q127-Y164 HydrophobicContact CG-CE1 3.62Å; Q127-Y164 VanDerWaalsContact CG-OH 3.24Å; Q127-Y164 WeakPolarHBondContact CG-OH 3.31Å; Q127-Y164 PolarHBondContact NE2-OH 3.49Å; I160-Y164 HydrophobicContact CG2-CD2 3.68Å; I160-Y164 HydrophobicContact CG2-CE2 3.87Å; I160-Y164 WeakPolarHBondContact O-CD2 3.48Å; I160-Y164 PolarHBondContact O-N 3.19Å; D162-Y164 VanDerWaalsContact C-N 3.26Å; D162-Y164 PolarHBondContact O-N 3.44Å; Y164-S166 PolarHBondContact O-N 2.88Å
165	G	87.1	Confident	92.8	Very high	62 Å²	62	48.5 Å²	48.5	64%	0.639	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	26.8	173.5	0	0	0	0	0	115.7	S161 D162 T167	S161-G165 PolarHBondContact O-N 3.01Å; D162-G165 PolarHBondContact O-N 3.11Å; G165-T167 PolarHBondContact O-N 3.38Å
166	S	92.7	Very high	93	Very high	18 Å²	18	49.4 Å²	49.4	13%	0.126	28%	0.281	C	S	.	.			trans	-89.4	98	172.8	-179.2	0	0	0	0	110.8	F126 S142 S161 Y164 S168 L169 F170	F126-S166 VanDerWaalsContact CZ-CB 3.48Å; S142-S166 PolarHBondContact OG-OG 3.14Å; S161-S166 PolarHBondContact O-N 3.26Å; Y164-S166 PolarHBondContact O-N 2.88Å; S166-S168 VanDerWaalsContact C-N 3.35Å; S166-S168 PolarHBondContact O-N 3.18Å; S166-L169 PolarHBondContact O-N 3.23Å; S166-L169 WeakPolarHBondContact OG-CB 3.36Å; S166-L169 PolarHBondContact OG-N 3.15Å; S166-F170 VanDerWaalsContact O-CB 3.31Å; S166-F170 WeakPolarHBondContact O-CB 3.42Å; S166-F170 PolarHBondContact O-N 2.93Å
167	T	93.9	Very high	93.2	Very high	104 Å²	104	45 Å²	45	64%	0.638	26%	0.261	S	S	*	.	H	α-helix	trans	-61.4	-43.3	176	53.9	0	0	0	0	111.7	G165 L169 F170 D171	G165-T167 PolarHBondContact O-N 3.38Å; T167-L169 PolarHBondContact O-N 3.49Å; T167-F170 WeakPolarHBondContact O-CB 3.48Å; T167-F170 PolarHBondContact O-N 2.79Å; T167-D171 WeakPolarHBondContact O-CB 3.48Å; T167-D171 PolarHBondContact O-N 2.84Å
168	S	95.1	Very high	93.3	Very high	48 Å²	48	45.7 Å²	45.7	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-59.6	-45.6	-179.6	-173.3	0	0	0	0	112.6	S166 H172	S166-S168 VanDerWaalsContact C-N 3.35Å; S166-S168 PolarHBondContact O-N 3.18Å; S168-H172 PolarHBondContact O-N 3.39Å; S168-H172 PolarHBondContact O-ND1 3Å
169	L	96.4	Very high	93.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.5	-41.1	177.2	178.3	60	0	0	0	110.9	F126 S142 L145 I146 I149 S166 T167 H172 A173	F126-L169 HydrophobicContact CE1-CD2 4.26Å; F126-L169 HydrophobicContact CZ-CD2 4.1Å; S142-L169 WeakPolarHBondContact OG-CB 3.25Å; L145-L169 HydrophobicContact CB-CD1 3.75Å; L145-L169 HydrophobicContact CB-CD2 3.95Å; L145-L169 HydrophobicContact CD1-CD2 3.64Å; L145-L169 HydrophobicContact CG-CD2 4.45Å; I146-L169 HydrophobicContact CG1-CB 4.45Å; I146-L169 HydrophobicContact CG1-CD1 3.65Å; I149-L169 HydrophobicContact CD1-CD1 4.37Å; S166-L169 PolarHBondContact O-N 3.23Å; S166-L169 WeakPolarHBondContact OG-CB 3.36Å; S166-L169 PolarHBondContact OG-N 3.15Å; T167-L169 PolarHBondContact O-N 3.49Å; L169-H172 PolarHBondContact O-N 3.46Å; L169-A173 VanDerWaalsContact O-CB 3.25Å; L169-A173 WeakPolarHBondContact O-CB 3.5Å; L169-A173 PolarHBondContact O-N 3.21Å
170	F	95.3	Very high	93.5	Very high	13 Å²	13	48.7 Å²	48.7	6%	0.057	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-49.2	178.8	-176.2	-88.3	0	0	0	111.5	L158 S161 D162 S166 T167 H172 A173 L174 V197 K200	L158-F170 HydrophobicContact CD2-CD2 3.78Å; L158-F170 HydrophobicContact CD2-CE2 3.77Å; L158-F170 HydrophobicContact CD2-CG 4.21Å; L158-F170 HydrophobicContact CD2-CZ 4.19Å; L158-F170 WeakPolarHBondContact CD2-O 3.47Å; S161-F170 VanDerWaalsContact OG-CA 3.25Å; S161-F170 WeakPolarHBondContact OG-CA 3.43Å; S161-F170 WeakPolarHBondContact OG-CB 3.47Å; S161-F170 PolarHBondContact OG-N 3.48Å; D162-F170 HydrophobicContact CB-CD2 3.97Å; D162-F170 HydrophobicContact CB-CE2 4.03Å; S166-F170 VanDerWaalsContact O-CB 3.31Å; S166-F170 WeakPolarHBondContact O-CB 3.42Å; S166-F170 PolarHBondContact O-N 2.93Å; T167-F170 WeakPolarHBondContact O-CB 3.48Å; T167-F170 PolarHBondContact O-N 2.79Å; F170-H172 PolarHBondContact O-N 2.75Å; F170-A173 PolarHBondContact O-N 3.43Å; F170-L174 HydrophobicContact CE1-CB 4.42Å; F170-L174 HydrophobicContact CE1-CD2 3.94Å; F170-L174 VanDerWaalsContact O-CB 3.26Å; F170-L174 WeakPolarHBondContact O-CB 3.45Å; F170-L174 PolarHBondContact O-N 2.78Å; F170-V197 HydrophobicContact CE2-CG2 4.06Å; F170-V197 HydrophobicContact CZ-CG2 4.15Å; F170-K200 HydrophobicContact CE1-CD 4.17Å; F170-K200 HydrophobicContact CZ-CD 4.14Å
171	D	95.4	Very high	93.7	Very high	92 Å²	92	47.6 Å²	47.6	49%	0.492	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-42.7	-177.2	-64.6	-25.4	0	0	0	111.7	T167 L174 H175	T167-D171 WeakPolarHBondContact O-CB 3.48Å; T167-D171 PolarHBondContact O-N 2.84Å; D171-L174 PolarHBondContact O-N 3.31Å; D171-H175 VanDerWaalsContact O-CB 3.29Å; D171-H175 WeakPolarHBondContact O-CB 3.29Å; D171-H175 PolarHBondContact O-N 3.08Å
172	H	96.5	Very high	93.6	Very high	96 Å²	96	49.2 Å²	49.2	44%	0.444	28%	0.276	S	S	.	.	H	α-helix	trans	-67.3	-39.6	176.8	-73.5	75.4	0	0	0	112.1	I146 I149 S168 L169 F170 F176	I146-H172 HydrophobicContact CG1-CB 4.14Å; I146-H172 HydrophobicContact CG2-CB 4.11Å; I149-H172 HydrophobicContact CD1-CB 4.05Å; S168-H172 PolarHBondContact O-N 3.39Å; S168-H172 PolarHBondContact O-ND1 3Å; L169-H172 PolarHBondContact O-N 3.46Å; F170-H172 PolarHBondContact O-N 2.75Å; H172-F176 WeakPolarHBondContact O-CB 3.26Å; H172-F176 PolarHBondContact O-N 2.94Å
173	A	96.1	Very high	93.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-69.6	-38.3	176.6	0	0	0	0	0	111.6	I149 L157 L158 L169 F170 F176 V177	I149-A173 HydrophobicContact CD1-CB 4.12Å; L157-A173 HydrophobicContact CB-CB 4.45Å; L158-A173 HydrophobicContact CD2-CB 3.86Å; L158-A173 HydrophobicContact CG-CB 3.76Å; L169-A173 VanDerWaalsContact O-CB 3.25Å; L169-A173 WeakPolarHBondContact O-CB 3.5Å; L169-A173 PolarHBondContact O-N 3.21Å; F170-A173 PolarHBondContact O-N 3.43Å; A173-F176 PolarHBondContact O-N 3.15Å; A173-V177 WeakPolarHBondContact O-CG2 3.45Å; A173-V177 PolarHBondContact O-N 2.83Å
174	L	95.3	Very high	93.6	Very high	18 Å²	18	45.8 Å²	45.8	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-47.2	176.7	-177.7	62.6	0	0	0	110.5	L158 F170 D171 F176 V177 Q178 V197 K200 C201	L158-L174 HydrophobicContact CD2-CB 3.88Å; F170-L174 HydrophobicContact CE1-CB 4.42Å; F170-L174 HydrophobicContact CE1-CD2 3.94Å; F170-L174 VanDerWaalsContact O-CB 3.26Å; F170-L174 WeakPolarHBondContact O-CB 3.45Å; F170-L174 PolarHBondContact O-N 2.78Å; D171-L174 PolarHBondContact O-N 3.31Å; L174-F176 VanDerWaalsContact C-N 3.32Å; L174-F176 PolarHBondContact O-N 3.44Å; L174-V177 PolarHBondContact O-N 3.37Å; L174-V177 VanDerWaalsContact O-N 3.15Å; L174-Q178 WeakPolarHBondContact O-CG 3.37Å; L174-Q178 PolarHBondContact O-N 3.24Å; L174-V197 HydrophobicContact CD1-CG1 4.4Å; L174-K200 HydrophobicContact CD2-CB 4.34Å; L174-K200 HydrophobicContact CD2-CD 4.43Å; L174-C201 VanDerWaalsContact CD1-SG 3.56Å
175	H	95.8	Very high	93.3	Very high	102 Å²	102	44.8 Å²	44.8	47%	0.472	25%	0.248	S	C	.	.	H	α-helix	trans	-57.7	-45.9	175	-177.9	-97.5	0	0	0	111	D171 V177 Q178 H179	D171-H175 VanDerWaalsContact O-CB 3.29Å; D171-H175 WeakPolarHBondContact O-CB 3.29Å; D171-H175 PolarHBondContact O-N 3.08Å; H175-V177 VanDerWaalsContact C-N 3.32Å; H175-V177 PolarHBondContact O-N 2.73Å; H175-Q178 PolarHBondContact O-N 2.92Å; H175-H179 AromaticContact CD2-CD2 3.77Å; H175-H179 AromaticContact CD2-NE2 3.65Å; H175-H179 AromaticContact CE1-CD2 3.15Å; H175-H179 PolarHBondContact CE1-CD2 3.43Å; H175-H179 AromaticContact CE1-NE2 3.08Å; H175-H179 PolarHBondContact CE1-NE2 3.02Å; H175-H179 AromaticContact CG-CD2 3.81Å; H175-H179 AromaticContact ND1-CD2 3.43Å; H175-H179 PolarHBondContact ND1-CD2 3.15Å; H175-H179 AromaticContact ND1-NE2 3.82Å; H175-H179 AromaticContact NE2-CD2 3.37Å; H175-H179 PolarHBondContact NE2-CD2 3.43Å; H175-H179 AromaticContact NE2-NE2 2.92Å; H175-H179 PolarHBondContact NE2-NE2 3.32Å; H175-H179 PolarHBondContact O-CD2 3.08Å; H175-H179 PolarHBondContact O-N 3.37Å
176	F	95.9	Very high	92.8	Very high	45 Å²	45	50.7 Å²	50.7	20%	0.197	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-42.3	175.9	-173.3	-85.3	0	0	0	112.5	I149 N150 L151 C154 H172 A173 L174 H179 H180	I149-F176 HydrophobicContact CG2-CB 3.7Å; I149-F176 HydrophobicContact CG2-CD1 3.63Å; I149-F176 HydrophobicContact CG2-CD2 3.69Å; I149-F176 HydrophobicContact CG2-CE1 4.17Å; I149-F176 HydrophobicContact CG2-CE2 4.22Å; I149-F176 HydrophobicContact CG2-CG 3.37Å; I149-F176 HydrophobicContact CG2-CZ 4.45Å; N150-F176 VanDerWaalsContact C-CE1 3.47Å; L151-F176 HydrophobicContact CD2-CE1 4.1Å; L151-F176 HydrophobicContact CD2-CZ 4.44Å; L151-F176 HydrophobicContact CG-CE1 4.48Å; C154-F176 HydrophobicContact CB-CD1 3.71Å; C154-F176 HydrophobicContact CB-CE1 4.14Å; H172-F176 WeakPolarHBondContact O-CB 3.26Å; H172-F176 PolarHBondContact O-N 2.94Å; A173-F176 PolarHBondContact O-N 3.15Å; L174-F176 VanDerWaalsContact C-N 3.32Å; L174-F176 PolarHBondContact O-N 3.44Å; F176-H179 PolarHBondContact O-N 2.95Å; F176-H180 AromaticContact CD1-ND1 3.88Å; F176-H180 AromaticContact CD2-CE1 3.9Å; F176-H180 AromaticContact CD2-ND1 3.93Å; F176-H180 AromaticContact CE1-ND1 3.72Å; F176-H180 AromaticContact CE2-CE1 3.52Å; F176-H180 AromaticContact CE2-ND1 3.78Å; F176-H180 AromaticContact CG-ND1 3.98Å; F176-H180 AromaticContact CZ-CE1 3.68Å; F176-H180 AromaticContact CZ-ND1 3.65Å; F176-H180 PolarHBondContact O-N 3.18Å; F176-H180 VanDerWaalsContact O-N 3.12Å; F176-H180 PolarHBondContact O-ND1 3.17Å
177	V	94.6	Very high	92.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-42	176.7	166.7	0	0	0	0	111.7	C154 L155 L158 A173 L174 H175 H179 H180 F181 L184	C154-V177 HydrophobicContact CB-CG2 3.9Å; L155-V177 HydrophobicContact CD2-CG1 4.32Å; L155-V177 HydrophobicContact CD2-CG2 3.98Å; L158-V177 HydrophobicContact CD1-CB 4.11Å; L158-V177 HydrophobicContact CD1-CG1 4.47Å; L158-V177 HydrophobicContact CD1-CG2 3.56Å; A173-V177 WeakPolarHBondContact O-CG2 3.45Å; A173-V177 PolarHBondContact O-N 2.83Å; L174-V177 PolarHBondContact O-N 3.37Å; L174-V177 VanDerWaalsContact O-N 3.15Å; H175-V177 VanDerWaalsContact C-N 3.32Å; H175-V177 PolarHBondContact O-N 2.73Å; V177-H179 PolarHBondContact O-N 2.83Å; V177-H180 CarbonylContact O-C 3.57Å; V177-H180 PolarHBondContact O-N 2.95Å; V177-F181 HydrophobicContact CG1-CD2 4.27Å; V177-F181 WeakPolarHBondContact O-CA 3.42Å; V177-F181 WeakPolarHBondContact O-CB 3.35Å; V177-F181 PolarHBondContact O-N 3.25Å; V177-L184 HydrophobicContact CB-CD1 4.05Å; V177-L184 HydrophobicContact CG1-CD1 3.86Å; V177-L184 HydrophobicContact CG2-CD1 3.83Å
178	Q	94.9	Very high	92	Very high	19 Å²	19	50.8 Å²	50.8	9%	0.089	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-43.6	176.4	-73.2	166	-19.2	0	0	111.4	L174 H175 H180 S204 L207 N208	L174-Q178 WeakPolarHBondContact O-CG 3.37Å; L174-Q178 PolarHBondContact O-N 3.24Å; H175-Q178 PolarHBondContact O-N 2.92Å; Q178-H180 VanDerWaalsContact C-N 3.34Å; Q178-H180 PolarHBondContact O-N 3.12Å; Q178-S204 VanDerWaalsContact NE2-CB 3.27Å; Q178-S204 PolarHBondContact NE2-OG 3.26Å; Q178-L207 HydrophobicContact CB-CD1 4.47Å; Q178-L207 HydrophobicContact CG-CD1 4.31Å; Q178-N208 VanDerWaalsContact O-CB 3.32Å; Q178-N208 WeakPolarHBondContact O-CB 3.46Å; Q178-N208 PolarHBondContact O-N 3.42Å
179	H	94.7	Very high	91.5	Very high	67 Å²	67	52.9 Å²	52.9	31%	0.31	27%	0.269	S	S	.	.	H	α-helix	trans	-68.3	-27.3	178.3	-83.6	-70.3	0	0	0	114.5	H175 F176 V177 N208	H175-H179 AromaticContact CD2-CD2 3.77Å; H175-H179 AromaticContact CD2-NE2 3.65Å; H175-H179 AromaticContact CE1-CD2 3.15Å; H175-H179 PolarHBondContact CE1-CD2 3.43Å; H175-H179 AromaticContact CE1-NE2 3.08Å; H175-H179 PolarHBondContact CE1-NE2 3.02Å; H175-H179 AromaticContact CG-CD2 3.81Å; H175-H179 AromaticContact ND1-CD2 3.43Å; H175-H179 PolarHBondContact ND1-CD2 3.15Å; H175-H179 AromaticContact ND1-NE2 3.82Å; H175-H179 AromaticContact NE2-CD2 3.37Å; H175-H179 PolarHBondContact NE2-CD2 3.43Å; H175-H179 AromaticContact NE2-NE2 2.92Å; H175-H179 PolarHBondContact NE2-NE2 3.32Å; H175-H179 PolarHBondContact O-CD2 3.08Å; H175-H179 PolarHBondContact O-N 3.37Å; F176-H179 PolarHBondContact O-N 2.95Å; V177-H179 PolarHBondContact O-N 2.83Å; H179-N208 WeakPolarHBondContact O-CB 3.33Å; H179-N208 PolarHBondContact O-ND2 3.38Å
180	H	93.2	Very high	91	Very high	61 Å²	61	52.9 Å²	52.9	28%	0.282	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	17.4	-178.4	-59.7	87.7	0	0	0	113.2	L151 F176 V177 Q178 S182 L183 L184	L151-H180 HydrophobicContact CD2-CB 3.55Å; F176-H180 AromaticContact CD1-ND1 3.88Å; F176-H180 AromaticContact CD2-CE1 3.9Å; F176-H180 AromaticContact CD2-ND1 3.93Å; F176-H180 AromaticContact CE1-ND1 3.72Å; F176-H180 AromaticContact CE2-CE1 3.52Å; F176-H180 AromaticContact CE2-ND1 3.78Å; F176-H180 AromaticContact CG-ND1 3.98Å; F176-H180 AromaticContact CZ-CE1 3.68Å; F176-H180 AromaticContact CZ-ND1 3.65Å; F176-H180 PolarHBondContact O-N 3.18Å; F176-H180 VanDerWaalsContact O-N 3.12Å; F176-H180 PolarHBondContact O-ND1 3.17Å; V177-H180 CarbonylContact O-C 3.57Å; V177-H180 PolarHBondContact O-N 2.95Å; Q178-H180 VanDerWaalsContact C-N 3.34Å; Q178-H180 PolarHBondContact O-N 3.12Å; H180-S182 VanDerWaalsContact C-N 3.25Å; H180-S182 PolarHBondContact O-N 3.44Å; H180-L183 PolarHBondContact O-N 2.86Å; H180-L184 PolarHBondContact O-N 3.41Å; H180-L184 VanDerWaalsContact O-N 3.17Å
181	F	93.6	Very high	90.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.9	-41.1	-170.5	-166.6	-95.5	0	0	0	112.5	V177 L183 L184 F185 F190 M193 L198 C201 L207 V209 V218	V177-F181 HydrophobicContact CG1-CD2 4.27Å; V177-F181 WeakPolarHBondContact O-CA 3.42Å; V177-F181 WeakPolarHBondContact O-CB 3.35Å; V177-F181 PolarHBondContact O-N 3.25Å; F181-L183 VanDerWaalsContact C-N 3.26Å; F181-L183 PolarHBondContact O-N 2.88Å; F181-L184 PolarHBondContact O-N 3.31Å; F181-F185 PolarHBondContact O-N 2.92Å; F181-F190 HydrophobicContact CD2-CE2 4.16Å; F181-F190 HydrophobicContact CE1-CE2 4.41Å; F181-F190 HydrophobicContact CE1-CZ 4.26Å; F181-F190 AromaticContact CE2-CE2 3.58Å; F181-F190 HydrophobicContact CE2-CE2 3.58Å; F181-F190 AromaticContact CE2-CZ 3.87Å; F181-F190 HydrophobicContact CE2-CZ 3.87Å; F181-F190 AromaticContact CZ-CE2 3.74Å; F181-F190 HydrophobicContact CZ-CE2 3.74Å; F181-F190 AromaticContact CZ-CZ 3.57Å; F181-F190 HydrophobicContact CZ-CZ 3.57Å; F181-M193 HydrophobicContact CE2-CE 4.5Å; F181-L198 HydrophobicContact CZ-CD1 4.27Å; F181-C201 HydrophobicContact CD2-CB 4.32Å; F181-C201 HydrophobicContact CE2-CB 3.78Å; F181-L207 HydrophobicContact CB-CD1 3.77Å; F181-L207 HydrophobicContact CB-CG 4.49Å; F181-L207 HydrophobicContact CD1-CD1 3.99Å; F181-L207 HydrophobicContact CD1-CD2 4.41Å; F181-L207 HydrophobicContact CD1-CG 4.36Å; F181-L207 HydrophobicContact CD2-CD1 3.5Å; F181-L207 HydrophobicContact CE1-CD1 4.41Å; F181-L207 HydrophobicContact CE1-CD2 4.37Å; F181-L207 HydrophobicContact CE2-CD1 3.96Å; F181-L207 HydrophobicContact CG-CD1 3.49Å; F181-L207 VanDerWaalsContact CG-CD1 3.49Å; F181-L207 HydrophobicContact CG-CG 4.28Å; F181-L207 HydrophobicContact CZ-CD1 4.38Å; F181-V209 HydrophobicContact CD1-CG1 3.65Å; F181-V209 HydrophobicContact CE1-CG1 4.31Å; F181-V218 HydrophobicContact CE1-CG1 4.15Å; F181-V218 HydrophobicContact CE1-CG2 4.11Å; F181-V218 HydrophobicContact CZ-CG1 4.01Å
182	S	90.9	Very high	90.4	Very high	33 Å²	33	55.7 Å²	55.7	23%	0.231	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-29.8	178	60.4	0	0	0	0	114.6	H180 N208 M214	H180-S182 VanDerWaalsContact C-N 3.25Å; H180-S182 PolarHBondContact O-N 3.44Å; S182-N208 PolarHBondContact N-O 3.36Å; S182-M214 WeakPolarHBondContact O-CE 3.32Å
183	L	90	Very high	90.1	Very high	101 Å²	101	51.8 Å²	51.8	53%	0.529	26%	0.262	S	S	.	.	H	α-helix	trans	-83.1	-37.6	177.2	-60.4	177.7	0	0	0	111.3	L151 H180 F181 F185	L151-L183 HydrophobicContact CD1-CD1 4.17Å; L151-L183 HydrophobicContact CD2-CB 4.39Å; L151-L183 HydrophobicContact CD2-CD1 4.36Å; H180-L183 PolarHBondContact O-N 2.86Å; F181-L183 VanDerWaalsContact C-N 3.26Å; F181-L183 PolarHBondContact O-N 2.88Å; L183-F185 PolarHBondContact O-N 2.69Å
184	L	89.4	Confident	89.8	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-69.2	-31.8	-176.3	-67.7	171.1	0	0	0	113	L151 V177 H180 F181 K186 S187 F190	L151-L184 HydrophobicContact CD2-CD2 4.11Å; L151-L184 HydrophobicContact CD2-CG 4.39Å; L151-L184 WeakPolarHBondContact O-CD2 3.21Å; V177-L184 HydrophobicContact CB-CD1 4.05Å; V177-L184 HydrophobicContact CG1-CD1 3.86Å; V177-L184 HydrophobicContact CG2-CD1 3.83Å; H180-L184 PolarHBondContact O-N 3.41Å; H180-L184 VanDerWaalsContact O-N 3.17Å; F181-L184 PolarHBondContact O-N 3.31Å; L184-K186 PolarHBondContact O-N 2.68Å; L184-S187 WeakPolarHBondContact O-CB 3.48Å; L184-S187 PolarHBondContact O-N 2.83Å; L184-S187 PolarHBondContact O-OG 2.84Å; L184-F190 HydrophobicContact CB-CD2 4.2Å; L184-F190 WeakPolarHBondContact O-CB 3.34Å
185	F	82.5	Confident	89.6	Confident	56 Å²	56	56.3 Å²	56.3	25%	0.246	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.5	178.7	169.1	-114.3	0	0	0	114.3	F181 L183 S187 F190 M214 V218	F181-F185 PolarHBondContact O-N 2.92Å; L183-F185 PolarHBondContact O-N 2.69Å; F185-S187 PolarHBondContact O-N 3.03Å; F185-F190 HydrophobicContact CD2-CD1 4.39Å; F185-F190 HydrophobicContact CD2-CE1 4.36Å; F185-M214 HydrophobicContact CB-CE 3.43Å; F185-M214 VanDerWaalsContact CB-CE 3.43Å; F185-M214 HydrophobicContact CD1-CE 3.51Å; F185-M214 HydrophobicContact CE1-CE 4.49Å; F185-M214 HydrophobicContact CG-CE 3.67Å; F185-V218 HydrophobicContact CB-CG2 4.3Å; F185-V218 HydrophobicContact CD2-CB 4.25Å; F185-V218 HydrophobicContact CD2-CG2 3.3Å; F185-V218 HydrophobicContact CE2-CB 4.33Å; F185-V218 HydrophobicContact CE2-CG2 3.65Å; F185-V218 HydrophobicContact CG-CG2 3.8Å; F185-V218 HydrophobicContact CZ-CG2 4.42Å
186	K	77.2	Confident	89.4	Confident	185 Å²	185	53 Å²	53	80%	0.804	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.2	-179.7	-63.8	-177.3	-177.7	176.8	0	113.3	L184	L184-K186 PolarHBondContact O-N 2.68Å
187	S	84.5	Confident	89.2	Confident	38 Å²	38	51 Å²	51	27%	0.266	27%	0.269	S	S	.	.	S	Bend	trans	-82.8	147.7	-179.5	72.2	0	0	0	0	111.8	L184 F185 D189 F190	L184-S187 WeakPolarHBondContact O-CB 3.48Å; L184-S187 PolarHBondContact O-N 2.83Å; L184-S187 PolarHBondContact O-OG 2.84Å; F185-S187 PolarHBondContact O-N 3.03Å; S187-D189 PolarHBondContact O-N 2.85Å; S187-F190 WeakPolarHBondContact OG-CB 3.17Å; S187-F190 PolarHBondContact OG-N 2.82Å
188	S	84.2	Confident	89.1	Confident	86 Å²	86	51 Å²	51	60%	0.601	27%	0.269	S	S	*	.	H	α-helix	trans	-61.7	-36.8	170.1	46.7	0	0	0	0	111.9	F190 L191	S188-F190 PolarHBondContact O-N 2.94Å; S188-L191 WeakPolarHBondContact O-CB 3.42Å; S188-L191 PolarHBondContact O-N 3Å
189	D	85.2	Confident	89.2	Confident	92 Å²	92	52.5 Å²	52.5	49%	0.492	28%	0.276	S	S	.	.	H	α-helix	trans	-65	-27.4	-173.8	-57.9	-9.8	0	0	0	111.6	L155 S187 L191 E192	L155-D189 HydrophobicContact CD1-CB 3.96Å; S187-D189 PolarHBondContact O-N 2.85Å; D189-L191 PolarHBondContact O-N 3.25Å; D189-E192 PolarHBondContact O-N 3.34Å
190	F	87	Confident	89.1	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-38.8	173.8	-176.8	-81.9	0	0	0	112.6	L155 F181 L184 F185 S187 S188 E192 M193 L198 V218	L155-F190 HydrophobicContact CD1-CB 4.28Å; F181-F190 HydrophobicContact CD2-CE2 4.16Å; F181-F190 HydrophobicContact CE1-CE2 4.41Å; F181-F190 HydrophobicContact CE1-CZ 4.26Å; F181-F190 AromaticContact CE2-CE2 3.58Å; F181-F190 HydrophobicContact CE2-CE2 3.58Å; F181-F190 AromaticContact CE2-CZ 3.87Å; F181-F190 HydrophobicContact CE2-CZ 3.87Å; F181-F190 AromaticContact CZ-CE2 3.74Å; F181-F190 HydrophobicContact CZ-CE2 3.74Å; F181-F190 AromaticContact CZ-CZ 3.57Å; F181-F190 HydrophobicContact CZ-CZ 3.57Å; L184-F190 HydrophobicContact CB-CD2 4.2Å; L184-F190 WeakPolarHBondContact O-CB 3.34Å; F185-F190 HydrophobicContact CD2-CD1 4.39Å; F185-F190 HydrophobicContact CD2-CE1 4.36Å; S187-F190 WeakPolarHBondContact OG-CB 3.17Å; S187-F190 PolarHBondContact OG-N 2.82Å; S188-F190 PolarHBondContact O-N 2.94Å; F190-E192 PolarHBondContact O-N 3.44Å; F190-M193 HydrophobicContact CD2-CE 4.09Å; F190-M193 HydrophobicContact CE1-CE 4.24Å; F190-M193 HydrophobicContact CE2-CE 3.46Å; F190-M193 VanDerWaalsContact CE2-CE 3.46Å; F190-M193 HydrophobicContact CZ-CE 3.52Å; F190-M193 WeakPolarHBondContact O-CB 3.21Å; F190-M193 PolarHBondContact O-N 2.85Å; F190-L198 HydrophobicContact CZ-CD1 4.14Å; F190-V218 HydrophobicContact CE1-CG1 3.58Å; F190-V218 HydrophobicContact CZ-CG1 3.51Å
191	L	88.5	Confident	89.1	Confident	42 Å²	42	51.1 Å²	51.1	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-17.7	179.1	-64.3	175.3	0	0	0	112.4	S188 D189 H225 R230	S188-L191 WeakPolarHBondContact O-CB 3.42Å; S188-L191 PolarHBondContact O-N 3Å; D189-L191 PolarHBondContact O-N 3.25Å; L191-H225 HydrophobicContact CB-CB 4.44Å; L191-R230 VanDerWaalsContact O-CZ 3.3Å; L191-R230 PolarHBondContact O-NH1 3.2Å; L191-R230 PolarHBondContact O-NH2 3.38Å
192	E	88.7	Confident	89.2	Confident	123 Å²	123	51.1 Å²	51.1	58%	0.575	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-1	174.1	-62.4	-57.1	152.3	0	0	113.3	D189 F190 N194 H225 R230	D189-E192 PolarHBondContact O-N 3.34Å; F190-E192 PolarHBondContact O-N 3.44Å; E192-N194 PolarHBondContact O-N 2.79Å; E192-H225 IonicContact OE1-CD2 3.93Å; E192-H225 IonicContact OE1-CE1 3.96Å; E192-H225 IonicContact OE1-NE2 3.69Å; E192-H225 PolarHBondContact OE1-NE2 3.15Å; E192-R230 IonicContact OE2-NH2 3.67Å
193	M	89.1	Confident	89.4	Confident	14 Å²	14	53.7 Å²	53.7	7%	0.069	28%	0.277	C	S	.	.			trans	-58.8	138.4	178	-172.6	163.1	59.9	0	0	111.2	L155 F181 F190 V197 L198 W222	L155-M193 HydrophobicContact CD2-SD 4.06Å; F181-M193 HydrophobicContact CE2-CE 4.5Å; F190-M193 HydrophobicContact CD2-CE 4.09Å; F190-M193 HydrophobicContact CE1-CE 4.24Å; F190-M193 HydrophobicContact CE2-CE 3.46Å; F190-M193 VanDerWaalsContact CE2-CE 3.46Å; F190-M193 HydrophobicContact CZ-CE 3.52Å; F190-M193 WeakPolarHBondContact O-CB 3.21Å; F190-M193 PolarHBondContact O-N 2.85Å; M193-V197 HydrophobicContact CG-CB 4.05Å; M193-V197 HydrophobicContact CG-CG1 3.92Å; M193-V197 HydrophobicContact SD-CB 4.29Å; M193-V197 HydrophobicContact SD-CG1 3.56Å; M193-V197 VanDerWaalsContact SD-CG1 3.56Å; M193-L198 HydrophobicContact CE-CB 3.76Å; M193-L198 HydrophobicContact CE-CD1 3.47Å; M193-L198 VanDerWaalsContact CE-CD1 3.47Å; M193-L198 HydrophobicContact CE-CG 4.13Å; M193-W222 PolarHBondContact O-NE1 3.24Å
194	N	89.8	Confident	89.7	Confident	64 Å²	64	50 Å²	50	34%	0.342	26%	0.259	S	S	.	.			trans	-70.5	154	179.1	76	55.5	0	0	0	111.4	E192 G196 V197 L198	E192-N194 PolarHBondContact O-N 2.79Å; N194-G196 VanDerWaalsContact C-N 3.34Å; N194-G196 PolarHBondContact O-N 2.8Å; N194-G196 PolarHBondContact OD1-N 2.9Å; N194-G196 VanDerWaalsContact OD1-N 3.14Å; N194-V197 VanDerWaalsContact ND2-CG2 3.33Å; N194-V197 WeakPolarHBondContact ND2-CG2 3.01Å; N194-V197 PolarHBondContact O-N 3.25Å; N194-V197 WeakPolarHBondContact OD1-CB 3.09Å; N194-V197 VanDerWaalsContact OD1-CG2 3.29Å; N194-V197 WeakPolarHBondContact OD1-CG2 3.48Å; N194-V197 PolarHBondContact OD1-N 3.46Å; N194-L198 PolarHBondContact O-N 3.32Å; N194-L198 VanDerWaalsContact O-N 3.09Å
195	F	92.5	Very high	89.9	Confident	48 Å²	48	53.8 Å²	53.8	21%	0.211	28%	0.28	C	S	.	.	H	α-helix	trans	-56.1	-44.5	-178.3	166.3	-103.7	0	0	0	112.9	V197 L198 Q199 W222 Y233 H236 L237	F195-V197 PolarHBondContact O-N 2.68Å; F195-L198 PolarHBondContact O-N 3.43Å; F195-Q199 WeakPolarHBondContact O-CB 3.38Å; F195-Q199 PolarHBondContact O-N 3.33Å; F195-W222 HydrophobicContact CB-CH2 3.99Å; F195-W222 HydrophobicContact CB-CZ2 4.25Å; F195-W222 HydrophobicContact CD2-CH2 4.31Å; F195-Y233 HydrophobicContact CD1-CD1 4.21Å; F195-Y233 HydrophobicContact CD1-CE1 4.35Å; F195-Y233 AromaticContact CD2-CD1 3.99Å; F195-Y233 HydrophobicContact CD2-CD1 3.99Å; F195-Y233 HydrophobicContact CD2-CD2 4.34Å; F195-Y233 AromaticContact CD2-CG 3.75Å; F195-Y233 HydrophobicContact CD2-CG 3.75Å; F195-Y233 HydrophobicContact CE1-CD1 4.17Å; F195-Y233 AromaticContact CE2-CD1 3.94Å; F195-Y233 HydrophobicContact CE2-CD1 3.94Å; F195-Y233 AromaticContact CE2-CG 3.97Å; F195-Y233 HydrophobicContact CE2-CG 3.97Å; F195-Y233 HydrophobicContact CG-CD1 4.12Å; F195-Y233 HydrophobicContact CG-CD2 4.47Å; F195-Y233 HydrophobicContact CG-CE1 4.49Å; F195-Y233 HydrophobicContact CG-CG 4.13Å; F195-Y233 HydrophobicContact CZ-CD1 4.03Å; F195-H236 HydrophobicContact CZ-CB 4.35Å; F195-L237 HydrophobicContact CD2-CD1 4.29Å; F195-L237 HydrophobicContact CD2-CD2 3.9Å; F195-L237 HydrophobicContact CD2-CG 4.17Å; F195-L237 HydrophobicContact CE2-CD1 4.41Å; F195-L237 HydrophobicContact CE2-CD2 3.61Å; F195-L237 HydrophobicContact CE2-CG 3.82Å
196	G	91.4	Very high	90.4	Very high	32 Å²	32	56.2 Å²	56.2	33%	0.33	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-38.3	-175.2	0	0	0	0	0	113.3	N194 K200	N194-G196 VanDerWaalsContact C-N 3.34Å; N194-G196 PolarHBondContact O-N 2.8Å; N194-G196 PolarHBondContact OD1-N 2.9Å; N194-G196 VanDerWaalsContact OD1-N 3.14Å; G196-K200 WeakPolarHBondContact O-CG 3.43Å; G196-K200 PolarHBondContact O-N 2.88Å
197	V	91	Very high	91.3	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-69.7	-45.5	175.1	174.2	0	0	0	0	110.2	L158 F170 L174 M193 N194 F195 Q199 K200 C201	L158-V197 HydrophobicContact CD1-CG1 3.89Å; F170-V197 HydrophobicContact CE2-CG2 4.06Å; F170-V197 HydrophobicContact CZ-CG2 4.15Å; L174-V197 HydrophobicContact CD1-CG1 4.4Å; M193-V197 HydrophobicContact CG-CB 4.05Å; M193-V197 HydrophobicContact CG-CG1 3.92Å; M193-V197 HydrophobicContact SD-CB 4.29Å; M193-V197 HydrophobicContact SD-CG1 3.56Å; M193-V197 VanDerWaalsContact SD-CG1 3.56Å; N194-V197 VanDerWaalsContact ND2-CG2 3.33Å; N194-V197 WeakPolarHBondContact ND2-CG2 3.01Å; N194-V197 PolarHBondContact O-N 3.25Å; N194-V197 WeakPolarHBondContact OD1-CB 3.09Å; N194-V197 VanDerWaalsContact OD1-CG2 3.29Å; N194-V197 WeakPolarHBondContact OD1-CG2 3.48Å; N194-V197 PolarHBondContact OD1-N 3.46Å; F195-V197 PolarHBondContact O-N 2.68Å; V197-Q199 VanDerWaalsContact C-N 3.32Å; V197-Q199 PolarHBondContact O-N 3.5Å; V197-K200 PolarHBondContact O-N 2.87Å; V197-C201 PolarHBondContact O-N 3.23Å; V197-C201 PolarHBondContact O-SG 3.18Å; V197-C201 VanDerWaalsContact O-SG 3.34Å
198	L	93.6	Very high	91.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.7	-49.1	175.7	-178.6	55.7	0	0	0	110.6	F181 F190 M193 N194 F195 K200 C201 L202 V218 W222 L237	F181-L198 HydrophobicContact CZ-CD1 4.27Å; F190-L198 HydrophobicContact CZ-CD1 4.14Å; M193-L198 HydrophobicContact CE-CB 3.76Å; M193-L198 HydrophobicContact CE-CD1 3.47Å; M193-L198 VanDerWaalsContact CE-CD1 3.47Å; M193-L198 HydrophobicContact CE-CG 4.13Å; N194-L198 PolarHBondContact O-N 3.32Å; N194-L198 VanDerWaalsContact O-N 3.09Å; F195-L198 PolarHBondContact O-N 3.43Å; L198-K200 PolarHBondContact O-N 3.04Å; L198-C201 WeakPolarHBondContact O-CB 3.49Å; L198-C201 PolarHBondContact O-N 2.83Å; L198-C201 VanDerWaalsContact O-N 3.11Å; L198-L202 HydrophobicContact CD1-CD1 4.31Å; L198-L202 HydrophobicContact CD1-CD2 4.33Å; L198-L202 HydrophobicContact CD1-CG 4.16Å; L198-L202 HydrophobicContact CG-CD1 4.13Å; L198-L202 HydrophobicContact CG-CG 4.38Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.43Å; L198-L202 PolarHBondContact O-N 3.17Å; L198-V218 HydrophobicContact CD1-CG1 4.25Å; L198-W222 HydrophobicContact CD2-CB 4.15Å; L198-W222 HydrophobicContact CD2-CD2 3.61Å; L198-W222 HydrophobicContact CD2-CE3 4.01Å; L198-W222 HydrophobicContact CD2-CG 3.66Å; L198-L237 HydrophobicContact CD2-CD1 3.92Å; L198-L237 HydrophobicContact CD2-CD2 4.34Å; L198-L237 HydrophobicContact CG-CD2 4.28Å
199	Q	95.4	Very high	92.3	Very high	50 Å²	50	44.5 Å²	44.5	23%	0.234	23%	0.228	C	C	.	.	H	α-helix	trans	-56.2	-48.2	177.9	-175.4	-174.6	-27	0	0	111.7	F195 V197 C201 L202 E203 L237	F195-Q199 WeakPolarHBondContact O-CB 3.38Å; F195-Q199 PolarHBondContact O-N 3.33Å; V197-Q199 VanDerWaalsContact C-N 3.32Å; V197-Q199 PolarHBondContact O-N 3.5Å; Q199-C201 VanDerWaalsContact C-N 3.28Å; Q199-C201 PolarHBondContact O-N 2.96Å; Q199-L202 PolarHBondContact O-N 3.18Å; Q199-L202 VanDerWaalsContact O-N 3.15Å; Q199-E203 HydrophobicContact CG-CG 4.44Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.46Å; Q199-E203 PolarHBondContact NE2-OE1 3.23Å; Q199-E203 WeakPolarHBondContact O-CG 3.42Å; Q199-E203 PolarHBondContact O-N 3.49Å; Q199-L237 HydrophobicContact CB-CD2 4.24Å
200	K	93.2	Very high	92.6	Very high	100 Å²	100	43.2 Å²	43.2	44%	0.435	23%	0.225	S	C	.	.	H	α-helix	trans	-60	-35.5	176.5	-76.3	178.8	178.9	-177.4	0	113	F170 L174 G196 V197 L198	F170-K200 HydrophobicContact CE1-CD 4.17Å; F170-K200 HydrophobicContact CZ-CD 4.14Å; L174-K200 HydrophobicContact CD2-CB 4.34Å; L174-K200 HydrophobicContact CD2-CD 4.43Å; G196-K200 WeakPolarHBondContact O-CG 3.43Å; G196-K200 PolarHBondContact O-N 2.88Å; V197-K200 PolarHBondContact O-N 2.87Å; L198-K200 PolarHBondContact O-N 3.04Å
201	C	94.4	Very high	92.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-47	173.8	-68.8	0	0	0	0	111.3	L174 F181 V197 L198 Q199 E203 S204 L207	L174-C201 VanDerWaalsContact CD1-SG 3.56Å; F181-C201 HydrophobicContact CD2-CB 4.32Å; F181-C201 HydrophobicContact CE2-CB 3.78Å; V197-C201 PolarHBondContact O-N 3.23Å; V197-C201 PolarHBondContact O-SG 3.18Å; V197-C201 VanDerWaalsContact O-SG 3.34Å; L198-C201 WeakPolarHBondContact O-CB 3.49Å; L198-C201 PolarHBondContact O-N 2.83Å; L198-C201 VanDerWaalsContact O-N 3.11Å; Q199-C201 VanDerWaalsContact C-N 3.28Å; Q199-C201 PolarHBondContact O-N 2.96Å; C201-E203 VanDerWaalsContact C-N 3.33Å; C201-E203 PolarHBondContact O-N 3.28Å; C201-S204 PolarHBondContact O-N 3.31Å; C201-L207 HydrophobicContact CB-CD1 4.11Å
202	L	95.4	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-35.4	-178.1	-61.3	177.7	0	0	0	112.7	L198 Q199 S204 V215 V219 L237 K240 R289	L198-L202 HydrophobicContact CD1-CD1 4.31Å; L198-L202 HydrophobicContact CD1-CD2 4.33Å; L198-L202 HydrophobicContact CD1-CG 4.16Å; L198-L202 HydrophobicContact CG-CD1 4.13Å; L198-L202 HydrophobicContact CG-CG 4.38Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.43Å; L198-L202 PolarHBondContact O-N 3.17Å; Q199-L202 PolarHBondContact O-N 3.18Å; Q199-L202 VanDerWaalsContact O-N 3.15Å; L202-S204 VanDerWaalsContact C-N 3.28Å; L202-S204 PolarHBondContact O-N 2.92Å; L202-V215 HydrophobicContact CD2-CG1 3.27Å; L202-V219 HydrophobicContact CD1-CG2 3.6Å; L202-V219 HydrophobicContact CD2-CG2 4.23Å; L202-L237 HydrophobicContact CD1-CB 4.22Å; L202-L237 HydrophobicContact CD1-CD2 3.78Å; L202-K240 HydrophobicContact CB-CB 3.72Å; L202-K240 HydrophobicContact CD1-CB 4.41Å; L202-R289 PolarHBondContact O-NH1 2.95Å; L202-R289 PolarHBondContact O-NH2 3.21Å
203	E	95.1	Very high	93.5	Very high	86 Å²	86	41.4 Å²	41.4	40%	0.402	22%	0.215	S	C	.	.	H	α-helix	trans	-68.6	-21.5	178.4	-75.3	173.7	173	0	0	113.7	Q199 C201 K240	Q199-E203 HydrophobicContact CG-CG 4.44Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.46Å; Q199-E203 PolarHBondContact NE2-OE1 3.23Å; Q199-E203 WeakPolarHBondContact O-CG 3.42Å; Q199-E203 PolarHBondContact O-N 3.49Å; C201-E203 VanDerWaalsContact C-N 3.33Å; C201-E203 PolarHBondContact O-N 3.28Å; E203-K240 HydrophobicContact CG-CD 3.78Å; E203-K240 HydrophobicContact CG-CG 4.06Å; E203-K240 WeakPolarHBondContact OE1-CE 3.21Å; E203-K240 IonicContact OE1-NZ 3.51Å; E203-K240 PolarHBondContact OE1-NZ 2.66Å
204	S	95.1	Very high	93.7	Very high	23 Å²	23	42.1 Å²	42.1	16%	0.161	22%	0.219	C	C	.	.			trans	-80	127.2	-173.7	-179.7	0	0	0	0	113.4	Q178 C201 L202 E206 L207 R289	Q178-S204 VanDerWaalsContact NE2-CB 3.27Å; Q178-S204 PolarHBondContact NE2-OG 3.26Å; C201-S204 PolarHBondContact O-N 3.31Å; L202-S204 VanDerWaalsContact C-N 3.28Å; L202-S204 PolarHBondContact O-N 2.92Å; S204-E206 PolarHBondContact O-N 3.03Å; S204-E206 PolarHBondContact OG-N 3.22Å; S204-L207 WeakPolarHBondContact O-CB 3.36Å; S204-L207 PolarHBondContact O-N 2.74Å; S204-R289 PolarHBondContact O-NH1 3.05Å
205	D	93.8	Very high	94	Very high	87 Å²	87	39 Å²	39	47%	0.465	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.6	170.6	-72.7	-51.1	0	0	0	113.1	L207 R242 P290	D205-L207 PolarHBondContact O-N 3.24Å; D205-R242 IonicContact OD1-CZ 2.72Å; D205-R242 IonicContact OD1-NH1 3.32Å; D205-R242 PolarHBondContact OD1-NH1 3.27Å; D205-R242 IonicContact OD1-NH2 3.81Å; D205-R242 PolarHBondContact OD1-NH2 3.5Å; D205-P290 WeakPolarHBondContact O-CD 3.29Å
206	E	93.9	Very high	94.1	Very high	107 Å²	107	37 Å²	37	50%	0.5	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	4.8	-176.3	-58.7	-56.2	137.4	0	0	114	S204 N208	S204-E206 PolarHBondContact O-N 3.03Å; S204-E206 PolarHBondContact OG-N 3.22Å; E206-N208 PolarHBondContact O-N 3.46Å; E206-N208 VanDerWaalsContact O-N 3.12Å
207	L	95.5	Very high	94.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.			trans	-60.2	117.9	177.9	-174.2	72.7	0	0	0	110.4	Q178 F181 C201 S204 D205 V209 V215 S291	Q178-L207 HydrophobicContact CB-CD1 4.47Å; Q178-L207 HydrophobicContact CG-CD1 4.31Å; F181-L207 HydrophobicContact CB-CD1 3.77Å; F181-L207 HydrophobicContact CB-CG 4.49Å; F181-L207 HydrophobicContact CD1-CD1 3.99Å; F181-L207 HydrophobicContact CD1-CD2 4.41Å; F181-L207 HydrophobicContact CD1-CG 4.36Å; F181-L207 HydrophobicContact CD2-CD1 3.5Å; F181-L207 HydrophobicContact CE1-CD1 4.41Å; F181-L207 HydrophobicContact CE1-CD2 4.37Å; F181-L207 HydrophobicContact CE2-CD1 3.96Å; F181-L207 HydrophobicContact CG-CD1 3.49Å; F181-L207 VanDerWaalsContact CG-CD1 3.49Å; F181-L207 HydrophobicContact CG-CG 4.28Å; F181-L207 HydrophobicContact CZ-CD1 4.38Å; C201-L207 HydrophobicContact CB-CD1 4.11Å; S204-L207 WeakPolarHBondContact O-CB 3.36Å; S204-L207 PolarHBondContact O-N 2.74Å; D205-L207 PolarHBondContact O-N 3.24Å; L207-V209 HydrophobicContact CD2-CG1 4.28Å; L207-V209 HydrophobicContact CG-CG1 4.26Å; L207-V209 PolarHBondContact O-N 3.38Å; L207-V215 HydrophobicContact CD2-CG2 4.21Å; L207-S291 PolarHBondContact O-OG 3.06Å
208	N	94.9	Very high	94.4	Very high	63 Å²	63	40.4 Å²	40.4	34%	0.337	20%	0.199	S	C	.	.			trans	-88.1	95.4	-176.4	-170.7	11.9	0	0	0	111.6	Q178 H179 S182 E206	Q178-N208 VanDerWaalsContact O-CB 3.32Å; Q178-N208 WeakPolarHBondContact O-CB 3.46Å; Q178-N208 PolarHBondContact O-N 3.42Å; H179-N208 WeakPolarHBondContact O-CB 3.33Å; H179-N208 PolarHBondContact O-ND2 3.38Å; S182-N208 PolarHBondContact N-O 3.36Å; E206-N208 PolarHBondContact O-N 3.46Å; E206-N208 VanDerWaalsContact O-N 3.12Å
209	V	94.3	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.			trans	-127.5	148.4	174.7	-72.6	0	0	0	0	109.5	F181 L207 E211 M214 V215 S291 T292	F181-V209 HydrophobicContact CD1-CG1 3.65Å; F181-V209 HydrophobicContact CE1-CG1 4.31Å; L207-V209 HydrophobicContact CD2-CG1 4.28Å; L207-V209 HydrophobicContact CG-CG1 4.26Å; L207-V209 PolarHBondContact O-N 3.38Å; V209-E211 VanDerWaalsContact C-N 3.32Å; V209-M214 HydrophobicContact CG1-SD 4.43Å; V209-V215 HydrophobicContact CB-CG2 4.3Å; V209-V215 HydrophobicContact CG1-CG2 4.04Å; V209-V215 HydrophobicContact CG2-CG2 3.78Å; V209-S291 PolarHBondContact N-OG 2.82Å; V209-S291 PolarHBondContact O-OG 2.8Å; V209-T292 HydrophobicContact CG2-CG2 3.76Å
210	P	92.1	Very high	94.4	Very high	65 Å²	65	38.6 Å²	38.6	42%	0.422	19%	0.191	S	C	.	.	S	Bend	trans	-63.6	-41.3	176.6	25.1	-33.1	0	0	0	111.6	M214	P210-M214 VanDerWaalsContact CD-SD 3.56Å; P210-M214 HydrophobicContact CG-SD 3.89Å
211	E	92.9	Very high	94.4	Very high	75 Å²	75	36.1 Å²	36.1	35%	0.35	19%	0.186	S	C	.	.			trans	-150	153.1	-176.2	-65.3	176.8	-173.1	0	0	110	V209 E213 M214	V209-E211 VanDerWaalsContact C-N 3.32Å; E211-E213 PolarHBondContact O-N 3.11Å; E211-M214 WeakPolarHBondContact O-CB 3.42Å; E211-M214 PolarHBondContact O-N 3.16Å; E211-M214 VanDerWaalsContact O-N 3.17Å
212	E	94.6	Very high	94.5	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-22.3	177.6	-164.1	68.4	-170.3	0	0	111.9	M214 V215 L216 V241 R242 Q245 L246 R289	E212-M214 PolarHBondContact O-N 2.88Å; E212-V215 WeakPolarHBondContact O-CA 3.37Å; E212-V215 VanDerWaalsContact O-CB 3.24Å; E212-V215 WeakPolarHBondContact O-CB 3.2Å; E212-V215 PolarHBondContact O-N 2.84Å; E212-L216 PolarHBondContact O-N 2.86Å; E212-V241 HydrophobicContact CG-CG1 4.08Å; E212-R242 HydrophobicContact CG-CB 4.04Å; E212-R242 PolarHBondContact OE1-N 2.78Å; E212-Q245 HydrophobicContact CB-CB 4.37Å; E212-L246 VanDerWaalsContact C-CD2 3.47Å; E212-L246 HydrophobicContact CB-CD2 3.92Å; E212-L246 HydrophobicContact CG-CD2 4.3Å; E212-R289 IonicContact OE1-CZ 3.84Å; E212-R289 IonicContact OE1-NE 3.64Å; E212-R289 IonicContact OE1-NH2 2.74Å; E212-R289 PolarHBondContact OE1-NH2 3.36Å; E212-R289 VanDerWaalsContact OE1-NH2 3.1Å; E212-R289 WeakPolarHBondContact OE2-CD 3.32Å; E212-R289 IonicContact OE2-CZ 3.97Å; E212-R289 IonicContact OE2-NE 3.74Å; E212-R289 PolarHBondContact OE2-NE 3.41Å; E212-R289 IonicContact OE2-NH2 4Å
213	E	94.7	Very high	94.4	Very high	49 Å²	49	36.4 Å²	36.4	23%	0.229	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-34.9	175.7	177.2	171.7	148	0	0	111.6	E211 V215 L216 K217 L246 T250	E211-E213 PolarHBondContact O-N 3.11Å; E213-V215 VanDerWaalsContact C-N 3.25Å; E213-V215 PolarHBondContact O-N 2.62Å; E213-L216 PolarHBondContact O-N 2.93Å; E213-K217 HydrophobicContact CG-CD 4.33Å; E213-K217 WeakPolarHBondContact O-CG 3.42Å; E213-K217 PolarHBondContact O-N 3.12Å; E213-K217 WeakPolarHBondContact OE1-CE 3.32Å; E213-K217 IonicContact OE1-NZ 2.74Å; E213-K217 PolarHBondContact OE1-NZ 3.26Å; E213-L246 HydrophobicContact CB-CD2 3.83Å; E213-T250 HydrophobicContact CB-CG2 4.2Å; E213-T250 VanDerWaalsContact CD-CG2 3.45Å; E213-T250 HydrophobicContact CG-CG2 3.6Å; E213-T250 WeakPolarHBondContact OE2-CG2 3.32Å; E213-T250 PolarHBondContact OE2-OG1 3.47Å
214	M	93.6	Very high	94.4	Very high	28 Å²	28	37 Å²	37	14%	0.138	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-38.4	174.8	-176.9	171.2	-178.7	0	0	111.3	S182 F185 V209 P210 E211 E212 K217 V218	S182-M214 WeakPolarHBondContact O-CE 3.32Å; F185-M214 HydrophobicContact CB-CE 3.43Å; F185-M214 VanDerWaalsContact CB-CE 3.43Å; F185-M214 HydrophobicContact CD1-CE 3.51Å; F185-M214 HydrophobicContact CE1-CE 4.49Å; F185-M214 HydrophobicContact CG-CE 3.67Å; V209-M214 HydrophobicContact CG1-SD 4.43Å; P210-M214 VanDerWaalsContact CD-SD 3.56Å; P210-M214 HydrophobicContact CG-SD 3.89Å; E211-M214 WeakPolarHBondContact O-CB 3.42Å; E211-M214 PolarHBondContact O-N 3.16Å; E211-M214 VanDerWaalsContact O-N 3.17Å; E212-M214 PolarHBondContact O-N 2.88Å; M214-K217 PolarHBondContact O-N 3.33Å; M214-V218 HydrophobicContact CG-CG2 4.31Å; M214-V218 WeakPolarHBondContact O-CB 3.4Å; M214-V218 WeakPolarHBondContact O-CG2 3.5Å; M214-V218 PolarHBondContact O-N 2.93Å
215	V	95.8	Very high	94.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-43.9	179.3	-171.3	0	0	0	0	110.6	L202 L207 V209 E212 E213 V218 V219 V241	L202-V215 HydrophobicContact CD2-CG1 3.27Å; L207-V215 HydrophobicContact CD2-CG2 4.21Å; V209-V215 HydrophobicContact CB-CG2 4.3Å; V209-V215 HydrophobicContact CG1-CG2 4.04Å; V209-V215 HydrophobicContact CG2-CG2 3.78Å; E212-V215 WeakPolarHBondContact O-CA 3.37Å; E212-V215 VanDerWaalsContact O-CB 3.24Å; E212-V215 WeakPolarHBondContact O-CB 3.2Å; E212-V215 PolarHBondContact O-N 2.84Å; E213-V215 VanDerWaalsContact C-N 3.25Å; E213-V215 PolarHBondContact O-N 2.62Å; V215-V218 WeakPolarHBondContact O-CB 3.14Å; V215-V218 PolarHBondContact O-N 2.87Å; V215-V219 WeakPolarHBondContact O-CG2 3.47Å; V215-V219 PolarHBondContact O-N 2.93Å; V215-V241 HydrophobicContact CB-CG1 4.43Å; V215-V241 HydrophobicContact CG1-CG1 4.39Å; V215-V241 HydrophobicContact CG1-CG2 4.09Å
216	L	95.9	Very high	94.3	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-48.1	174.4	179.8	59.5	0	0	0	111.4	E212 E213 V218 V219 L220 V241 L243 L246 C254	E212-L216 PolarHBondContact O-N 2.86Å; E213-L216 PolarHBondContact O-N 2.93Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 PolarHBondContact O-N 3.37Å; L216-V219 PolarHBondContact O-N 3.4Å; L216-L220 HydrophobicContact CD1-CD1 4.18Å; L216-L220 HydrophobicContact CD1-CG 4.37Å; L216-L220 HydrophobicContact CG-CD1 4.09Å; L216-L220 WeakPolarHBondContact O-CG 3Å; L216-L220 PolarHBondContact O-N 3.01Å; L216-L220 VanDerWaalsContact O-N 3.09Å; L216-V241 HydrophobicContact CB-CG1 4.19Å; L216-L243 HydrophobicContact CD1-CD2 4.26Å; L216-L246 HydrophobicContact CB-CD1 4.27Å; L216-L246 HydrophobicContact CD2-CD1 3.67Å; L216-C254 HydrophobicContact CD2-CB 4.24Å
217	K	93.6	Very high	94.3	Very high	107 Å²	107	38.1 Å²	38.1	47%	0.465	19%	0.193	S	C	.	.	H	α-helix	trans	-58.9	-43.1	177.4	-73.1	175.9	-178.4	169.3	0	111.8	E213 M214 V219 L220 S221	E213-K217 HydrophobicContact CG-CD 4.33Å; E213-K217 WeakPolarHBondContact O-CG 3.42Å; E213-K217 PolarHBondContact O-N 3.12Å; E213-K217 WeakPolarHBondContact OE1-CE 3.32Å; E213-K217 IonicContact OE1-NZ 2.74Å; E213-K217 PolarHBondContact OE1-NZ 3.26Å; M214-K217 PolarHBondContact O-N 3.33Å; K217-V219 PolarHBondContact O-N 2.82Å; K217-L220 PolarHBondContact O-N 3.13Å; K217-S221 WeakPolarHBondContact O-CB 3.38Å; K217-S221 PolarHBondContact O-N 2.84Å; K217-S221 PolarHBondContact O-OG 3.16Å; K217-S221 VanDerWaalsContact O-OG 3.12Å
218	V	93.7	Very high	94.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.7	-50	176.6	162.7	0	0	0	0	111.4	F181 F185 F190 L198 M214 V215 L216 L220 S221 W222	F181-V218 HydrophobicContact CE1-CG1 4.15Å; F181-V218 HydrophobicContact CE1-CG2 4.11Å; F181-V218 HydrophobicContact CZ-CG1 4.01Å; F185-V218 HydrophobicContact CB-CG2 4.3Å; F185-V218 HydrophobicContact CD2-CB 4.25Å; F185-V218 HydrophobicContact CD2-CG2 3.3Å; F185-V218 HydrophobicContact CE2-CB 4.33Å; F185-V218 HydrophobicContact CE2-CG2 3.65Å; F185-V218 HydrophobicContact CG-CG2 3.8Å; F185-V218 HydrophobicContact CZ-CG2 4.42Å; F190-V218 HydrophobicContact CE1-CG1 3.58Å; F190-V218 HydrophobicContact CZ-CG1 3.51Å; L198-V218 HydrophobicContact CD1-CG1 4.25Å; M214-V218 HydrophobicContact CG-CG2 4.31Å; M214-V218 WeakPolarHBondContact O-CB 3.4Å; M214-V218 WeakPolarHBondContact O-CG2 3.5Å; M214-V218 PolarHBondContact O-N 2.93Å; V215-V218 WeakPolarHBondContact O-CB 3.14Å; V215-V218 PolarHBondContact O-N 2.87Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 PolarHBondContact O-N 3.37Å; V218-L220 VanDerWaalsContact C-N 3.35Å; V218-L220 PolarHBondContact O-N 3.18Å; V218-S221 PolarHBondContact O-N 3.01Å; V218-W222 WeakPolarHBondContact O-CB 3.4Å; V218-W222 PolarHBondContact O-N 2.92Å
219	V	95.6	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-43.6	-179.1	168.9	0	0	0	0	111.3	L202 V215 L216 K217 T223 L234 L237 I238 V241	L202-V219 HydrophobicContact CD1-CG2 3.6Å; L202-V219 HydrophobicContact CD2-CG2 4.23Å; V215-V219 WeakPolarHBondContact O-CG2 3.47Å; V215-V219 PolarHBondContact O-N 2.93Å; L216-V219 PolarHBondContact O-N 3.4Å; K217-V219 PolarHBondContact O-N 2.82Å; V219-T223 WeakPolarHBondContact O-CB 3.32Å; V219-T223 PolarHBondContact O-N 3.36Å; V219-T223 PolarHBondContact O-OG1 2.87Å; V219-L234 HydrophobicContact CG1-CD1 3.63Å; V219-L237 HydrophobicContact CG1-CB 3.65Å; V219-L237 HydrophobicContact CG1-CD1 4.3Å; V219-L237 HydrophobicContact CG2-CB 4.2Å; V219-I238 HydrophobicContact CG1-CG1 4.07Å; V219-V241 HydrophobicContact CG2-CG2 3.97Å
220	L	94.8	Very high	94.1	Very high	12 Å²	12	47 Å²	47	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-47.2	178	-66.3	170	0	0	0	111.7	L216 K217 V218 T223 K224 L234 E258 L261	L216-L220 HydrophobicContact CD1-CD1 4.18Å; L216-L220 HydrophobicContact CD1-CG 4.37Å; L216-L220 HydrophobicContact CG-CD1 4.09Å; L216-L220 WeakPolarHBondContact O-CG 3Å; L216-L220 PolarHBondContact O-N 3.01Å; L216-L220 VanDerWaalsContact O-N 3.09Å; K217-L220 PolarHBondContact O-N 3.13Å; V218-L220 VanDerWaalsContact C-N 3.35Å; V218-L220 PolarHBondContact O-N 3.18Å; L220-T223 PolarHBondContact O-N 3.14Å; L220-K224 WeakPolarHBondContact O-CB 3.45Å; L220-K224 VanDerWaalsContact O-CG 3.3Å; L220-K224 WeakPolarHBondContact O-CG 2.82Å; L220-K224 PolarHBondContact O-N 3.12Å; L220-L234 HydrophobicContact CD2-CD1 4.43Å; L220-E258 HydrophobicContact CD1-CG 4.09Å; L220-E258 HydrophobicContact CD2-CG 4.39Å; L220-L261 HydrophobicContact CD2-CD2 4.33Å
221	S	93.7	Very high	94.2	Very high	49 Å²	49	47.5 Å²	47.5	34%	0.343	23%	0.234	S	C	.	.	H	α-helix	trans	-61.9	-44.4	178	-68	0	0	0	0	112.4	K217 V218 T223 K224 H225	K217-S221 WeakPolarHBondContact O-CB 3.38Å; K217-S221 PolarHBondContact O-N 2.84Å; K217-S221 PolarHBondContact O-OG 3.16Å; K217-S221 VanDerWaalsContact O-OG 3.12Å; V218-S221 PolarHBondContact O-N 3.01Å; S221-T223 VanDerWaalsContact C-N 3.32Å; S221-T223 PolarHBondContact O-N 2.79Å; S221-K224 PolarHBondContact O-N 3.05Å; S221-H225 PolarHBondContact O-N 3.41Å; S221-H225 VanDerWaalsContact O-N 3.1Å
222	W	95	Very high	94.2	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.019	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-39.4	176.8	-179.7	91.7	0	0	0	111.8	M193 F195 L198 V218 R230 Y233 L237	M193-W222 PolarHBondContact O-NE1 3.24Å; F195-W222 HydrophobicContact CB-CH2 3.99Å; F195-W222 HydrophobicContact CB-CZ2 4.25Å; F195-W222 HydrophobicContact CD2-CH2 4.31Å; L198-W222 HydrophobicContact CD2-CB 4.15Å; L198-W222 HydrophobicContact CD2-CD2 3.61Å; L198-W222 HydrophobicContact CD2-CE3 4.01Å; L198-W222 HydrophobicContact CD2-CG 3.66Å; V218-W222 WeakPolarHBondContact O-CB 3.4Å; V218-W222 PolarHBondContact O-N 2.92Å; W222-R230 HydrophobicContact CE3-CB 4.4Å; W222-R230 HydrophobicContact CE3-CG 4.46Å; W222-R230 HydrophobicContact CH2-CB 4.17Å; W222-R230 HydrophobicContact CH2-CG 3.76Å; W222-R230 HydrophobicContact CZ2-CG 4.26Å; W222-R230 HydrophobicContact CZ3-CB 3.81Å; W222-R230 HydrophobicContact CZ3-CG 3.87Å; W222-R230 WeakPolarHBondContact O-CD 3.3Å; W222-R230 PolarHBondContact O-NH1 2.86Å; W222-Y233 HydrophobicContact CH2-CD2 4.28Å; W222-L237 HydrophobicContact CE3-CD1 3.71Å; W222-L237 HydrophobicContact CH2-CD1 4.5Å; W222-L237 HydrophobicContact CZ3-CD1 3.62Å
223	T	94.7	Very high	94.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-45.7	178.3	-58.5	0	0	0	0	111.4	V219 L220 S221 H225 N226 L227 R230 L234	V219-T223 WeakPolarHBondContact O-CB 3.32Å; V219-T223 PolarHBondContact O-N 3.36Å; V219-T223 PolarHBondContact O-OG1 2.87Å; L220-T223 PolarHBondContact O-N 3.14Å; S221-T223 VanDerWaalsContact C-N 3.32Å; S221-T223 PolarHBondContact O-N 2.79Å; T223-H225 VanDerWaalsContact C-N 3.3Å; T223-H225 PolarHBondContact O-N 3.29Å; T223-N226 CarbonylContact O-C 3.5Å; T223-N226 PolarHBondContact O-N 3.29Å; T223-L227 WeakPolarHBondContact O-CA 3.35Å; T223-L227 PolarHBondContact O-N 2.91Å; T223-R230 HydrophobicContact CG2-CB 4.37Å; T223-L234 HydrophobicContact CG2-CB 4.13Å; T223-L234 HydrophobicContact CG2-CD1 4.29Å; T223-L234 HydrophobicContact CG2-CD2 4.33Å; T223-L234 HydrophobicContact CG2-CG 4.49Å
224	K	93.5	Very high	94.3	Very high	99 Å²	99	51.2 Å²	51.2	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-31.5	-179.8	-73.9	176	177	-170.7	0	113.8	L220 S221 N226 E258 L261	L220-K224 WeakPolarHBondContact O-CB 3.45Å; L220-K224 VanDerWaalsContact O-CG 3.3Å; L220-K224 WeakPolarHBondContact O-CG 2.82Å; L220-K224 PolarHBondContact O-N 3.12Å; S221-K224 PolarHBondContact O-N 3.05Å; K224-N226 PolarHBondContact O-N 3.25Å; K224-E258 WeakPolarHBondContact CE-OE2 3.48Å; K224-E258 IonicContact NZ-OE1 3.82Å; K224-E258 PolarHBondContact NZ-OE1 2.91Å; K224-E258 IonicContact NZ-OE2 2.89Å; K224-E258 PolarHBondContact NZ-OE2 3.07Å; K224-L261 HydrophobicContact CG-CD2 4.36Å
225	H	93.8	Very high	94.4	Very high	89 Å²	89	51.2 Å²	51.2	41%	0.412	25%	0.249	S	C	.	.	H	α-helix	trans	-56.6	-33.1	179.1	-174.9	71.4	0	0	0	112.9	L191 E192 S221 T223	L191-H225 HydrophobicContact CB-CB 4.44Å; E192-H225 IonicContact OE1-CD2 3.93Å; E192-H225 IonicContact OE1-CE1 3.96Å; E192-H225 IonicContact OE1-NE2 3.69Å; E192-H225 PolarHBondContact OE1-NE2 3.15Å; S221-H225 PolarHBondContact O-N 3.41Å; S221-H225 VanDerWaalsContact O-N 3.1Å; T223-H225 VanDerWaalsContact C-N 3.3Å; T223-H225 PolarHBondContact O-N 3.29Å
226	N	93.9	Very high	94.4	Very high	71 Å²	71	56.4 Å²	56.4	38%	0.38	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.6	72.2	172.4	-172	-27.6	0	0	0	110.4	T223 K224 E228 S229 R230	T223-N226 CarbonylContact O-C 3.5Å; T223-N226 PolarHBondContact O-N 3.29Å; K224-N226 PolarHBondContact O-N 3.25Å; N226-E228 VanDerWaalsContact C-N 3.35Å; N226-E228 PolarHBondContact O-N 3.3Å; N226-S229 PolarHBondContact ND2-OG 3.28Å; N226-S229 PolarHBondContact O-N 2.66Å; N226-S229 PolarHBondContact O-OG 3.4Å; N226-S229 PolarHBondContact OD1-N 3.15Å; N226-S229 PolarHBondContact OD1-OG 3.43Å; N226-R230 HydrophobicContact CB-CG 4.19Å; N226-R230 WeakPolarHBondContact O-CB 3.35Å; N226-R230 VanDerWaalsContact O-CG 3.3Å; N226-R230 WeakPolarHBondContact O-CG 3.34Å; N226-R230 PolarHBondContact O-N 3.34Å
227	L	93.3	Very high	94.4	Very high	80 Å²	80	56.1 Å²	56.1	42%	0.419	27%	0.271	S	S	.	.	H	α-helix	trans	-55.8	-45.1	-171.1	-176.9	65.2	0	0	0	113.2	T223 S229 R230 Q231 L261	T223-L227 WeakPolarHBondContact O-CA 3.35Å; T223-L227 PolarHBondContact O-N 2.91Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 2.99Å; L227-R230 PolarHBondContact O-N 3.11Å; L227-Q231 HydrophobicContact CD1-CB 4.14Å; L227-Q231 VanDerWaalsContact O-CB 3.3Å; L227-Q231 WeakPolarHBondContact O-CB 3.47Å; L227-Q231 WeakPolarHBondContact O-CG 3.44Å; L227-Q231 PolarHBondContact O-N 3.33Å; L227-L261 HydrophobicContact CD1-CD1 3.45Å; L227-L261 VanDerWaalsContact CD1-CD1 3.45Å
228	E	92.4	Very high	94.5	Very high	179 Å²	179	51.1 Å²	51.1	84%	0.836	25%	0.249	S	C	*	.	H	α-helix	trans	-58.7	-42.5	-174.8	-65.3	-176.4	174.2	0	0	112.6	N226	N226-E228 VanDerWaalsContact C-N 3.35Å; N226-E228 PolarHBondContact O-N 3.3Å
229	S	93.6	Very high	94.6	Very high	51 Å²	51	57.1 Å²	57.1	36%	0.357	28%	0.277	S	S	.	.	H	α-helix	trans	-91.1	-25	-177.9	68.2	0	0	0	0	113.7	N226 L227 K232	N226-S229 PolarHBondContact ND2-OG 3.28Å; N226-S229 PolarHBondContact O-N 2.66Å; N226-S229 PolarHBondContact O-OG 3.4Å; N226-S229 PolarHBondContact OD1-N 3.15Å; N226-S229 PolarHBondContact OD1-OG 3.43Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 2.99Å; S229-K232 WeakPolarHBondContact O-CE 3.38Å
230	R	94.9	Very high	94.6	Very high	21 Å²	21	60.4 Å²	60.4	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-101.1	-21.9	-169.8	-62.8	178.6	-177.9	-177.9	-0.8	114.9	L191 E192 W222 T223 N226 L227 K232 Y233	L191-R230 VanDerWaalsContact O-CZ 3.3Å; L191-R230 PolarHBondContact O-NH1 3.2Å; L191-R230 PolarHBondContact O-NH2 3.38Å; E192-R230 IonicContact OE2-NH2 3.67Å; W222-R230 HydrophobicContact CE3-CB 4.4Å; W222-R230 HydrophobicContact CE3-CG 4.46Å; W222-R230 HydrophobicContact CH2-CB 4.17Å; W222-R230 HydrophobicContact CH2-CG 3.76Å; W222-R230 HydrophobicContact CZ2-CG 4.26Å; W222-R230 HydrophobicContact CZ3-CB 3.81Å; W222-R230 HydrophobicContact CZ3-CG 3.87Å; W222-R230 WeakPolarHBondContact O-CD 3.3Å; W222-R230 PolarHBondContact O-NH1 2.86Å; T223-R230 HydrophobicContact CG2-CB 4.37Å; N226-R230 HydrophobicContact CB-CG 4.19Å; N226-R230 WeakPolarHBondContact O-CB 3.35Å; N226-R230 VanDerWaalsContact O-CG 3.3Å; N226-R230 WeakPolarHBondContact O-CG 3.34Å; N226-R230 PolarHBondContact O-N 3.34Å; L227-R230 PolarHBondContact O-N 3.11Å; R230-K232 PolarHBondContact O-N 2.96Å; R230-Y233 WeakPolarHBondContact O-CB 3.37Å; R230-Y233 PolarHBondContact O-N 3.41Å
231	Q	93.8	Very high	94.7	Very high	75 Å²	75	60.2 Å²	60.2	35%	0.35	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-52.8	-34	-178.3	63.3	-177.6	-22.2	0	0	113.9	L227 Y233 L234 T265	L227-Q231 HydrophobicContact CD1-CB 4.14Å; L227-Q231 VanDerWaalsContact O-CB 3.3Å; L227-Q231 WeakPolarHBondContact O-CB 3.47Å; L227-Q231 WeakPolarHBondContact O-CG 3.44Å; L227-Q231 PolarHBondContact O-N 3.33Å; Q231-Y233 PolarHBondContact O-N 3.09Å; Q231-L234 WeakPolarHBondContact O-CB 3.19Å; Q231-L234 PolarHBondContact O-N 3.46Å; Q231-T265 HydrophobicContact CB-CG2 4.09Å; Q231-T265 WeakPolarHBondContact O-CG2 3.35Å
232	K	94.1	Very high	94.7	Very high	129 Å²	129	59 Å²	59	56%	0.561	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-64.8	-21.6	177.3	60.7	175.7	174	167	0	114.5	S229 R230	S229-K232 WeakPolarHBondContact O-CE 3.38Å; R230-K232 PolarHBondContact O-N 2.96Å
233	Y	95.5	Very high	94.7	Very high	75 Å²	75	59.2 Å²	59.2	29%	0.294	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-93.1	-15.4	179.7	-59.4	-57.9	0	0	0	112.6	F195 W222 R230 Q231 P235 H236 L237	F195-Y233 HydrophobicContact CD1-CD1 4.21Å; F195-Y233 HydrophobicContact CD1-CE1 4.35Å; F195-Y233 AromaticContact CD2-CD1 3.99Å; F195-Y233 HydrophobicContact CD2-CD1 3.99Å; F195-Y233 HydrophobicContact CD2-CD2 4.34Å; F195-Y233 AromaticContact CD2-CG 3.75Å; F195-Y233 HydrophobicContact CD2-CG 3.75Å; F195-Y233 HydrophobicContact CE1-CD1 4.17Å; F195-Y233 AromaticContact CE2-CD1 3.94Å; F195-Y233 HydrophobicContact CE2-CD1 3.94Å; F195-Y233 AromaticContact CE2-CG 3.97Å; F195-Y233 HydrophobicContact CE2-CG 3.97Å; F195-Y233 HydrophobicContact CG-CD1 4.12Å; F195-Y233 HydrophobicContact CG-CD2 4.47Å; F195-Y233 HydrophobicContact CG-CE1 4.49Å; F195-Y233 HydrophobicContact CG-CG 4.13Å; F195-Y233 HydrophobicContact CZ-CD1 4.03Å; W222-Y233 HydrophobicContact CH2-CD2 4.28Å; R230-Y233 WeakPolarHBondContact O-CB 3.37Å; R230-Y233 PolarHBondContact O-N 3.41Å; Q231-Y233 PolarHBondContact O-N 3.09Å; Y233-P235 VanDerWaalsContact C-CD 3.45Å; Y233-H236 PolarHBondContact O-N 3.41Å; Y233-L237 PolarHBondContact O-N 2.6Å; Y233-L237 VanDerWaalsContact O-N 3.1Å
234	L	95.8	Very high	94.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-54.7	-44.5	-176.4	-177.5	62.4	0	0	0	113.5	V219 L220 T223 Q231 H236 L237 I238 L261 T265	V219-L234 HydrophobicContact CG1-CD1 3.63Å; L220-L234 HydrophobicContact CD2-CD1 4.43Å; T223-L234 HydrophobicContact CG2-CB 4.13Å; T223-L234 HydrophobicContact CG2-CD1 4.29Å; T223-L234 HydrophobicContact CG2-CD2 4.33Å; T223-L234 HydrophobicContact CG2-CG 4.49Å; Q231-L234 WeakPolarHBondContact O-CB 3.19Å; Q231-L234 PolarHBondContact O-N 3.46Å; L234-H236 VanDerWaalsContact C-N 3.31Å; L234-H236 PolarHBondContact O-N 3.38Å; L234-L237 PolarHBondContact O-N 3.49Å; L234-I238 HydrophobicContact CD1-CD1 3.67Å; L234-I238 HydrophobicContact CD1-CG1 3.78Å; L234-I238 HydrophobicContact CD2-CD1 4.28Å; L234-I238 HydrophobicContact CG-CD1 3.74Å; L234-I238 HydrophobicContact CG-CG1 4.19Å; L234-I238 WeakPolarHBondContact O-CG1 3.47Å; L234-I238 PolarHBondContact O-N 2.96Å; L234-L261 HydrophobicContact CD2-CD1 4.12Å; L234-L261 HydrophobicContact CD2-CD2 4Å; L234-L261 HydrophobicContact CD2-CG 3.8Å; L234-T265 HydrophobicContact CD2-CG2 4.18Å
235	P	95.2	Very high	94.6	Very high	29 Å²	29	56.3 Å²	56.3	19%	0.188	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-45	179.7	-23	34.4	0	0	0	111.8	Y233 L237 I238 E239 T265 C267	Y233-P235 VanDerWaalsContact C-CD 3.45Å; P235-L237 VanDerWaalsContact C-N 3.31Å; P235-L237 PolarHBondContact O-N 2.83Å; P235-I238 PolarHBondContact O-N 3.34Å; P235-E239 WeakPolarHBondContact O-CG 3.1Å; P235-E239 PolarHBondContact O-N 3.44Å; P235-E239 VanDerWaalsContact O-N 3.09Å; P235-T265 VanDerWaalsContact CG-O 3.25Å; P235-T265 WeakPolarHBondContact CG-O 3.09Å; P235-C267 VanDerWaalsContact CA-SG 3.56Å
236	H	95.4	Very high	94.5	Very high	108 Å²	108	52.2 Å²	52.2	50%	0.5	25%	0.25	S	C	.	.	H	α-helix	trans	-64.5	-34.6	179.9	-64.5	81.4	0	0	0	112.3	F195 Y233 L234 K240	F195-H236 HydrophobicContact CZ-CB 4.35Å; Y233-H236 PolarHBondContact O-N 3.41Å; L234-H236 VanDerWaalsContact C-N 3.31Å; L234-H236 PolarHBondContact O-N 3.38Å; H236-K240 WeakPolarHBondContact O-CG 3.35Å
237	L	96.6	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-77.3	-40.7	177.7	-66.2	175.9	0	0	0	112	F195 L198 Q199 L202 V219 W222 Y233 L234 P235 E239 K240 V241	F195-L237 HydrophobicContact CD2-CD1 4.29Å; F195-L237 HydrophobicContact CD2-CD2 3.9Å; F195-L237 HydrophobicContact CD2-CG 4.17Å; F195-L237 HydrophobicContact CE2-CD1 4.41Å; F195-L237 HydrophobicContact CE2-CD2 3.61Å; F195-L237 HydrophobicContact CE2-CG 3.82Å; L198-L237 HydrophobicContact CD2-CD1 3.92Å; L198-L237 HydrophobicContact CD2-CD2 4.34Å; L198-L237 HydrophobicContact CG-CD2 4.28Å; Q199-L237 HydrophobicContact CB-CD2 4.24Å; L202-L237 HydrophobicContact CD1-CB 4.22Å; L202-L237 HydrophobicContact CD1-CD2 3.78Å; V219-L237 HydrophobicContact CG1-CB 3.65Å; V219-L237 HydrophobicContact CG1-CD1 4.3Å; V219-L237 HydrophobicContact CG2-CB 4.2Å; W222-L237 HydrophobicContact CE3-CD1 3.71Å; W222-L237 HydrophobicContact CH2-CD1 4.5Å; W222-L237 HydrophobicContact CZ3-CD1 3.62Å; Y233-L237 PolarHBondContact O-N 2.6Å; Y233-L237 VanDerWaalsContact O-N 3.1Å; L234-L237 PolarHBondContact O-N 3.49Å; P235-L237 VanDerWaalsContact C-N 3.31Å; P235-L237 PolarHBondContact O-N 2.83Å; L237-E239 VanDerWaalsContact C-N 3.29Å; L237-E239 PolarHBondContact O-N 2.72Å; L237-K240 WeakPolarHBondContact O-CB 3.34Å; L237-K240 PolarHBondContact O-N 3.12Å; L237-V241 PolarHBondContact O-N 2.82Å
238	I	95.9	Very high	94.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-38.8	178.5	-75.2	-177.6	0	0	0	110.8	V219 L234 P235 K240 V241 L243 L262 C267 I270 I271	V219-I238 HydrophobicContact CG1-CG1 4.07Å; L234-I238 HydrophobicContact CD1-CD1 3.67Å; L234-I238 HydrophobicContact CD1-CG1 3.78Å; L234-I238 HydrophobicContact CD2-CD1 4.28Å; L234-I238 HydrophobicContact CG-CD1 3.74Å; L234-I238 HydrophobicContact CG-CG1 4.19Å; L234-I238 WeakPolarHBondContact O-CG1 3.47Å; L234-I238 PolarHBondContact O-N 2.96Å; P235-I238 PolarHBondContact O-N 3.34Å; I238-K240 PolarHBondContact O-N 3.23Å; I238-K240 VanDerWaalsContact O-N 3.14Å; I238-V241 WeakPolarHBondContact O-CB 3.32Å; I238-V241 PolarHBondContact O-N 2.92Å; I238-L243 HydrophobicContact CG2-CD1 3.88Å; I238-L262 HydrophobicContact CD1-CD2 4.13Å; I238-C267 HydrophobicContact CD1-CB 3.83Å; I238-I270 HydrophobicContact CG2-CG2 3.95Å; I238-I271 HydrophobicContact CG2-CD1 4.37Å
239	E	94.8	Very high	94.4	Very high	126 Å²	126	47.6 Å²	47.6	59%	0.589	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.2	174.1	-74.8	177.4	-176.6	0	0	113.8	P235 L237 I270	P235-E239 WeakPolarHBondContact O-CG 3.1Å; P235-E239 PolarHBondContact O-N 3.44Å; P235-E239 VanDerWaalsContact O-N 3.09Å; L237-E239 VanDerWaalsContact C-N 3.29Å; L237-E239 PolarHBondContact O-N 2.72Å; E239-I270 HydrophobicContact CG-CD1 4.43Å
240	K	96.4	Very high	94.4	Very high	70 Å²	70	46.1 Å²	46.1	30%	0.304	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.1	174.8	-51	-49.7	179.8	170	0	113.2	L202 E203 H236 L237 I238	L202-K240 HydrophobicContact CB-CB 3.72Å; L202-K240 HydrophobicContact CD1-CB 4.41Å; E203-K240 HydrophobicContact CG-CD 3.78Å; E203-K240 HydrophobicContact CG-CG 4.06Å; E203-K240 WeakPolarHBondContact OE1-CE 3.21Å; E203-K240 IonicContact OE1-NZ 3.51Å; E203-K240 PolarHBondContact OE1-NZ 2.66Å; H236-K240 WeakPolarHBondContact O-CG 3.35Å; L237-K240 WeakPolarHBondContact O-CB 3.34Å; L237-K240 PolarHBondContact O-N 3.12Å; I238-K240 PolarHBondContact O-N 3.23Å; I238-K240 VanDerWaalsContact O-N 3.14Å
241	V	96.3	Very high	94.5	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.042	21%	0.211	C	C	.	.	S	Bend	trans	-82.4	132	171.2	-172.9	0	0	0	0	108	E212 V215 L216 V219 L237 I238 L243	E212-V241 HydrophobicContact CG-CG1 4.08Å; V215-V241 HydrophobicContact CB-CG1 4.43Å; V215-V241 HydrophobicContact CG1-CG1 4.39Å; V215-V241 HydrophobicContact CG1-CG2 4.09Å; L216-V241 HydrophobicContact CB-CG1 4.19Å; V219-V241 HydrophobicContact CG2-CG2 3.97Å; L237-V241 PolarHBondContact O-N 2.82Å; I238-V241 WeakPolarHBondContact O-CB 3.32Å; I238-V241 PolarHBondContact O-N 2.92Å; V241-L243 HydrophobicContact CB-CD2 4.1Å; V241-L243 HydrophobicContact CB-CG 4.41Å; V241-L243 HydrophobicContact CG1-CD2 3.89Å; V241-L243 PolarHBondContact O-N 2.77Å
242	R	94.9	Very high	94.5	Very high	23 Å²	23	45.9 Å²	45.9	9%	0.087	22%	0.215	C	C	.	.			trans	-79.5	68.8	-179.9	-56.2	178.3	-172.2	-178.8	-0.4	109.6	D205 E212 H244 Q245 D287 R289	D205-R242 IonicContact OD1-CZ 2.72Å; D205-R242 IonicContact OD1-NH1 3.32Å; D205-R242 PolarHBondContact OD1-NH1 3.27Å; D205-R242 IonicContact OD1-NH2 3.81Å; D205-R242 PolarHBondContact OD1-NH2 3.5Å; E212-R242 HydrophobicContact CG-CB 4.04Å; E212-R242 PolarHBondContact OE1-N 2.78Å; R242-H244 PolarHBondContact O-N 2.88Å; R242-H244 VanDerWaalsContact O-N 3.11Å; R242-Q245 HydrophobicContact CB-CB 4.19Å; R242-Q245 HydrophobicContact CB-CG 3.8Å; R242-Q245 WeakPolarHBondContact O-CA 3.25Å; R242-Q245 WeakPolarHBondContact O-CB 3.37Å; R242-Q245 PolarHBondContact O-N 2.9Å; R242-D287 WeakPolarHBondContact CD-O 3.34Å; R242-D287 VanDerWaalsContact CZ-O 3.24Å; R242-D287 PolarHBondContact NE-O 3.39Å; R242-D287 PolarHBondContact NH1-O 2.97Å; R242-R289 VanDerWaalsContact NH1-CG 3.28Å
243	L	94.8	Very high	94.6	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.058	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-56.7	-31.7	-170.3	-62.7	172.5	0	0	0	113.3	L216 I238 V241 Q245 L246 L251 I270 I271 A274	L216-L243 HydrophobicContact CD1-CD2 4.26Å; I238-L243 HydrophobicContact CG2-CD1 3.88Å; V241-L243 HydrophobicContact CB-CD2 4.1Å; V241-L243 HydrophobicContact CB-CG 4.41Å; V241-L243 HydrophobicContact CG1-CD2 3.89Å; V241-L243 PolarHBondContact O-N 2.77Å; L243-Q245 PolarHBondContact O-N 2.76Å; L243-L246 HydrophobicContact CD2-CD1 3.79Å; L243-L246 VanDerWaalsContact O-CB 3.31Å; L243-L246 WeakPolarHBondContact O-CB 3.43Å; L243-L246 PolarHBondContact O-N 3.17Å; L243-L251 HydrophobicContact CB-CD2 4.42Å; L243-L251 HydrophobicContact CD2-CD2 4.19Å; L243-I270 HydrophobicContact CD1-CG2 3.78Å; L243-I271 HydrophobicContact CD1-CD1 3.83Å; L243-I271 HydrophobicContact CD2-CD1 3.81Å; L243-I271 HydrophobicContact CG-CD1 4.47Å; L243-A274 HydrophobicContact CB-CB 3.56Å; L243-A274 HydrophobicContact CD1-CB 3.94Å; L243-A274 HydrophobicContact CG-CB 4.41Å
244	H	92	Very high	94.6	Very high	35 Å²	35	40.6 Å²	40.6	16%	0.162	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-67.1	-14.4	174.5	54	-84.7	0	0	0	113.9	R242 F285 D287 R603	R242-H244 PolarHBondContact O-N 2.88Å; R242-H244 VanDerWaalsContact O-N 3.11Å; H244-F285 HydrophobicContact CB-CD2 3.95Å; H244-F285 HydrophobicContact CB-CE2 4.1Å; H244-F285 HydrophobicContact CB-CG 4.42Å; H244-F285 WeakPolarHBondContact CD2-CB 3.4Å; H244-F285 AromaticContact CD2-CD2 3.76Å; H244-F285 AromaticContact CD2-CG 3.43Å; H244-F285 VanDerWaalsContact CD2-CG 3.43Å; H244-F285 WeakPolarHBondContact CD2-CG 3.4Å; H244-D287 IonicContact CD2-OD1 3.94Å; H244-D287 IonicContact CE1-OD1 3.98Å; H244-D287 IonicContact CE1-OD2 2.74Å; H244-D287 PolarHBondContact CE1-OD2 2.87Å; H244-D287 IonicContact NE2-OD1 2.64Å; H244-D287 PolarHBondContact NE2-OD1 3.37Å; H244-D287 IonicContact NE2-OD2 3.86Å; H244-D287 PolarHBondContact NE2-OD2 3.1Å; H244-R603 PolarHBondContact O-NH1 3.38Å
245	Q	92.4	Very high	94.4	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-85.2	-6.7	169.7	-59.9	-62.3	-17.2	0	0	112.3	E212 R242 L243 F285 D287 A288 N600 Y602	E212-Q245 HydrophobicContact CB-CB 4.37Å; R242-Q245 HydrophobicContact CB-CB 4.19Å; R242-Q245 HydrophobicContact CB-CG 3.8Å; R242-Q245 WeakPolarHBondContact O-CA 3.25Å; R242-Q245 WeakPolarHBondContact O-CB 3.37Å; R242-Q245 PolarHBondContact O-N 2.9Å; L243-Q245 PolarHBondContact O-N 2.76Å; Q245-F285 PolarHBondContact NE2-O 2.9Å; Q245-D287 PolarHBondContact NE2-OD1 3.12Å; Q245-A288 HydrophobicContact CG-CB 4.28Å; Q245-N600 PolarHBondContact O-ND2 2.74Å; Q245-N600 PolarHBondContact OE1-ND2 2.72Å; Q245-Y602 WeakPolarHBondContact O-CE1 3.35Å; Q245-Y602 PolarHBondContact O-OH 2.85Å
246	L	93	Very high	94.3	Very high	4 Å²	4	48 Å²	48	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-85.9	160	177.6	-61.5	172.3	0	0	0	112.6	E212 E213 L216 L243 T250 L251 Y602	E212-L246 VanDerWaalsContact C-CD2 3.47Å; E212-L246 HydrophobicContact CB-CD2 3.92Å; E212-L246 HydrophobicContact CG-CD2 4.3Å; E213-L246 HydrophobicContact CB-CD2 3.83Å; L216-L246 HydrophobicContact CB-CD1 4.27Å; L216-L246 HydrophobicContact CD2-CD1 3.67Å; L243-L246 HydrophobicContact CD2-CD1 3.79Å; L243-L246 VanDerWaalsContact O-CB 3.31Å; L243-L246 WeakPolarHBondContact O-CB 3.43Å; L243-L246 PolarHBondContact O-N 3.17Å; L246-T250 HydrophobicContact CD2-CG2 4.49Å; L246-L251 HydrophobicContact CB-CD1 4.44Å; L246-L251 HydrophobicContact CB-CD2 4.13Å; L246-L251 HydrophobicContact CB-CG 4.03Å; L246-L251 HydrophobicContact CD1-CD2 3.67Å; L246-L251 HydrophobicContact CD1-CG 4.45Å; L246-Y602 PolarHBondContact O-OH 3.35Å
247	S	91.6	Very high	94.2	Very high	26 Å²	26	47.9 Å²	47.9	18%	0.182	23%	0.232	C	C	.	.			trans	-71.2	151.6	172.1	89.3	0	0	0	0	110.4	E249 T250 L251 Y602	S247-E249 PolarHBondContact O-N 3.43Å; S247-E249 PolarHBondContact OG-N 2.95Å; S247-T250 PolarHBondContact O-N 3.49Å; S247-T250 WeakPolarHBondContact OG-CB 3.2Å; S247-T250 PolarHBondContact OG-N 2.86Å; S247-T250 PolarHBondContact OG-OG1 3.2Å; S247-L251 WeakPolarHBondContact O-CG 3.44Å; S247-L251 PolarHBondContact O-N 2.82Å; S247-Y602 PolarHBondContact N-OH 2.84Å
248	E	92.5	Very high	94	Very high	71 Å²	71	49.4 Å²	49.4	33%	0.332	24%	0.239	S	C	.	.	H	α-helix	trans	-60	-38.9	174.9	-179.8	175.6	171.7	0	0	111.5	L251 Q252 I275 V278 Q279	E248-L251 PolarHBondContact O-N 3.36Å; E248-Q252 HydrophobicContact CG-CG 4.44Å; E248-Q252 VanDerWaalsContact O-CG 3.32Å; E248-Q252 WeakPolarHBondContact O-CG 3.42Å; E248-Q252 PolarHBondContact O-N 2.62Å; E248-Q252 PolarHBondContact OE1-NE2 3.43Å; E248-I275 HydrophobicContact CG-CG2 4.32Å; E248-V278 HydrophobicContact CB-CG1 4.47Å; E248-Q279 PolarHBondContact OE1-NE2 3.39Å; E248-Q279 WeakPolarHBondContact OE2-CG 3.13Å
249	E	93.2	Very high	93.7	Very high	136 Å²	136	53.5 Å²	53.5	64%	0.636	26%	0.258	S	S	*	.	H	α-helix	trans	-60.8	-49.3	177.1	-176	175.4	-171.4	0	0	111.2	S247 L251 Q252 D253	S247-E249 PolarHBondContact O-N 3.43Å; S247-E249 PolarHBondContact OG-N 2.95Å; E249-L251 VanDerWaalsContact C-N 3.28Å; E249-L251 PolarHBondContact O-N 3.02Å; E249-Q252 PolarHBondContact O-N 2.89Å; E249-Q252 VanDerWaalsContact O-N 3.16Å; E249-D253 WeakPolarHBondContact O-CB 3.39Å; E249-D253 PolarHBondContact O-N 3.3Å
250	T	94.4	Very high	93.5	Very high	19 Å²	19	52.3 Å²	52.3	12%	0.117	26%	0.264	C	S	.	.	H	α-helix	trans	-57.2	-41.2	177.7	-53.6	0	0	0	0	111.8	E213 L246 S247 C254	E213-T250 HydrophobicContact CB-CG2 4.2Å; E213-T250 VanDerWaalsContact CD-CG2 3.45Å; E213-T250 HydrophobicContact CG-CG2 3.6Å; E213-T250 WeakPolarHBondContact OE2-CG2 3.32Å; E213-T250 PolarHBondContact OE2-OG1 3.47Å; L246-T250 HydrophobicContact CD2-CG2 4.49Å; S247-T250 PolarHBondContact O-N 3.49Å; S247-T250 WeakPolarHBondContact OG-CB 3.2Å; S247-T250 PolarHBondContact OG-N 2.86Å; S247-T250 PolarHBondContact OG-OG1 3.2Å; T250-C254 WeakPolarHBondContact O-CB 3.47Å; T250-C254 PolarHBondContact O-N 3.14Å
251	L	95.3	Very high	93.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-70.5	-41	178.9	-67.8	172.8	0	0	0	111.9	L243 L246 S247 E248 E249 C254 L255 I271 A274 I275 V278	L243-L251 HydrophobicContact CB-CD2 4.42Å; L243-L251 HydrophobicContact CD2-CD2 4.19Å; L246-L251 HydrophobicContact CB-CD1 4.44Å; L246-L251 HydrophobicContact CB-CD2 4.13Å; L246-L251 HydrophobicContact CB-CG 4.03Å; L246-L251 HydrophobicContact CD1-CD2 3.67Å; L246-L251 HydrophobicContact CD1-CG 4.45Å; S247-L251 WeakPolarHBondContact O-CG 3.44Å; S247-L251 PolarHBondContact O-N 2.82Å; E248-L251 PolarHBondContact O-N 3.36Å; E249-L251 VanDerWaalsContact C-N 3.28Å; E249-L251 PolarHBondContact O-N 3.02Å; L251-C254 WeakPolarHBondContact O-CB 3.4Å; L251-C254 PolarHBondContact O-N 3.15Å; L251-L255 PolarHBondContact O-N 2.84Å; L251-I271 HydrophobicContact CB-CG2 4.36Å; L251-I271 HydrophobicContact CD2-CD1 4.44Å; L251-I271 HydrophobicContact CD2-CG2 4.24Å; L251-A274 HydrophobicContact CD1-CB 4.14Å; L251-I275 HydrophobicContact CB-CD1 4.02Å; L251-I275 HydrophobicContact CB-CG1 3.54Å; L251-I275 HydrophobicContact CD1-CG1 3.87Å; L251-I275 HydrophobicContact CG-CG1 4.34Å; L251-V278 HydrophobicContact CD1-CG2 4Å
252	Q	95.4	Very high	93	Very high	92 Å²	92	49.2 Å²	49.2	43%	0.43	25%	0.25	S	S	.	.	H	α-helix	trans	-63.9	-42.8	175.5	-73	177.1	2	0	0	111.5	E248 E249 C254 L255 F256 I275	E248-Q252 HydrophobicContact CG-CG 4.44Å; E248-Q252 VanDerWaalsContact O-CG 3.32Å; E248-Q252 WeakPolarHBondContact O-CG 3.42Å; E248-Q252 PolarHBondContact O-N 2.62Å; E248-Q252 PolarHBondContact OE1-NE2 3.43Å; E249-Q252 PolarHBondContact O-N 2.89Å; E249-Q252 VanDerWaalsContact O-N 3.16Å; Q252-C254 VanDerWaalsContact C-N 3.29Å; Q252-C254 PolarHBondContact O-N 2.99Å; Q252-L255 WeakPolarHBondContact O-CB 3.47Å; Q252-L255 PolarHBondContact O-N 3.48Å; Q252-F256 PolarHBondContact O-N 3.41Å; Q252-I275 HydrophobicContact CG-CD1 4.04Å
253	D	95.3	Very high	92.8	Very high	83 Å²	83	53.6 Å²	53.6	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-38.9	174.4	-78.8	-10.8	0	0	0	111.7	E249 F256 N257	E249-D253 WeakPolarHBondContact O-CB 3.39Å; E249-D253 PolarHBondContact O-N 3.3Å; D253-F256 PolarHBondContact O-N 2.9Å; D253-N257 VanDerWaalsContact O-CB 3.31Å; D253-N257 WeakPolarHBondContact O-CB 3.3Å; D253-N257 VanDerWaalsContact O-CG 3.31Å; D253-N257 PolarHBondContact O-N 2.9Å; D253-N257 PolarHBondContact O-ND2 3.39Å
254	C	94.7	Very high	92.5	Very high	10 Å²	10	56.6 Å²	56.6	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-43.9	174.5	-174.1	0	0	0	0	111.6	L216 T250 L251 Q252 F256 E258	L216-C254 HydrophobicContact CD2-CB 4.24Å; T250-C254 WeakPolarHBondContact O-CB 3.47Å; T250-C254 PolarHBondContact O-N 3.14Å; L251-C254 WeakPolarHBondContact O-CB 3.4Å; L251-C254 PolarHBondContact O-N 3.15Å; Q252-C254 VanDerWaalsContact C-N 3.29Å; Q252-C254 PolarHBondContact O-N 2.99Å; C254-F256 VanDerWaalsContact C-N 3.33Å; C254-F256 PolarHBondContact O-N 2.87Å; C254-E258 VanDerWaalsContact O-CB 3.28Å; C254-E258 WeakPolarHBondContact O-CB 3.43Å; C254-E258 PolarHBondContact O-N 3.19Å
255	L	93.4	Very high	92.1	Very high	21 Å²	21	55.5 Å²	55.5	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-41.1	176.9	-73	176.1	0	0	0	112.1	L251 Q252 E259 L262 F268 I271 M272 I275	L251-L255 PolarHBondContact O-N 2.84Å; Q252-L255 WeakPolarHBondContact O-CB 3.47Å; Q252-L255 PolarHBondContact O-N 3.48Å; L255-E259 WeakPolarHBondContact O-CA 3.19Å; L255-E259 WeakPolarHBondContact O-CB 3.37Å; L255-E259 PolarHBondContact O-N 2.88Å; L255-L262 HydrophobicContact CD2-CD1 4.01Å; L255-F268 HydrophobicContact CD2-CD2 3.79Å; L255-F268 HydrophobicContact CD2-CE2 3.77Å; L255-F268 HydrophobicContact CD2-CG 4.31Å; L255-F268 HydrophobicContact CD2-CZ 4.27Å; L255-I271 HydrophobicContact CD1-CG2 4.16Å; L255-I271 HydrophobicContact CD2-CB 3.8Å; L255-I271 HydrophobicContact CD2-CG2 3.6Å; L255-I271 HydrophobicContact CG-CB 4.35Å; L255-I271 HydrophobicContact CG-CG2 3.59Å; L255-M272 HydrophobicContact CD1-CG 4.09Å; L255-M272 HydrophobicContact CD1-SD 3.45Å; L255-M272 WeakPolarHBondContact CD1-SD 3.32Å; L255-M272 HydrophobicContact CD2-CG 4.45Å; L255-I275 HydrophobicContact CD1-CD1 3.46Å; L255-I275 VanDerWaalsContact CD1-CD1 3.46Å; L255-I275 HydrophobicContact CG-CD1 4.44Å
256	F	92.4	Very high	91.9	Very high	164 Å²	164	61.7 Å²	61.7	72%	0.719	32%	0.321	S	S	*	.	H	α-helix	trans	-70.9	-46	-178.6	-176.3	-98.8	0	0	0	112.3	Q252 D253 C254	Q252-F256 PolarHBondContact O-N 3.41Å; D253-F256 PolarHBondContact O-N 2.9Å; C254-F256 VanDerWaalsContact C-N 3.33Å; C254-F256 PolarHBondContact O-N 2.87Å
257	N	93.3	Very high	91.9	Very high	105 Å²	105	61.5 Å²	61.5	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-78.6	-28.9	-174.8	-67.8	-45.6	0	0	0	113.3	D253	D253-N257 VanDerWaalsContact O-CB 3.31Å; D253-N257 WeakPolarHBondContact O-CB 3.3Å; D253-N257 VanDerWaalsContact O-CG 3.31Å; D253-N257 PolarHBondContact O-N 2.9Å; D253-N257 PolarHBondContact O-ND2 3.39Å
258	E	93.1	Very high	92	Very high	31 Å²	31	62.9 Å²	62.9	15%	0.145	32%	0.323	C	S	.	.	S	Bend	trans	-114	16.8	-173.1	-51.6	-58.7	164	0	0	113.9	L220 K224 C254 S260 L261 L262	L220-E258 HydrophobicContact CD1-CG 4.09Å; L220-E258 HydrophobicContact CD2-CG 4.39Å; K224-E258 WeakPolarHBondContact CE-OE2 3.48Å; K224-E258 IonicContact NZ-OE1 3.82Å; K224-E258 PolarHBondContact NZ-OE1 2.91Å; K224-E258 IonicContact NZ-OE2 2.89Å; K224-E258 PolarHBondContact NZ-OE2 3.07Å; C254-E258 VanDerWaalsContact O-CB 3.28Å; C254-E258 WeakPolarHBondContact O-CB 3.43Å; C254-E258 PolarHBondContact O-N 3.19Å; E258-S260 VanDerWaalsContact C-N 3.28Å; E258-S260 PolarHBondContact O-N 3.48Å; E258-S260 VanDerWaalsContact O-N 3.12Å; E258-L261 PolarHBondContact O-N 3.26Å; E258-L262 HydrophobicContact CB-CD1 4.03Å; E258-L262 HydrophobicContact CB-CG 4Å; E258-L262 WeakPolarHBondContact O-CG 3.1Å; E258-L262 PolarHBondContact O-N 2.89Å
259	E	89.3	Confident	92	Very high	87 Å²	87	64.7 Å²	64.7	41%	0.407	33%	0.334	S	S	.	.	H	α-helix	trans	-49.9	-45.4	-170.2	-167.5	-175.8	171.1	0	0	113.5	L255 K263 F268	L255-E259 WeakPolarHBondContact O-CA 3.19Å; L255-E259 WeakPolarHBondContact O-CB 3.37Å; L255-E259 PolarHBondContact O-N 2.88Å; E259-K263 HydrophobicContact CG-CD 4.04Å; E259-K263 WeakPolarHBondContact O-CB 3.25Å; E259-K263 VanDerWaalsContact O-CG 3.28Å; E259-K263 WeakPolarHBondContact O-CG 3.49Å; E259-K263 PolarHBondContact O-N 2.63Å; E259-K263 WeakPolarHBondContact OE1-CE 3.45Å; E259-K263 IonicContact OE1-NZ 2.6Å; E259-K263 PolarHBondContact OE1-NZ 2.61Å; E259-F268 HydrophobicContact CG-CE2 4.34Å
260	S	89.4	Confident	92.1	Very high	101 Å²	101	60.4 Å²	60.4	71%	0.706	32%	0.315	S	S	*	.	H	α-helix	trans	-65.4	-42.1	-177.6	57.9	0	0	0	0	112.6	E258 S264	E258-S260 VanDerWaalsContact C-N 3.28Å; E258-S260 PolarHBondContact O-N 3.48Å; E258-S260 VanDerWaalsContact O-N 3.12Å; S260-S264 PolarHBondContact O-N 3.1Å; S260-S264 PolarHBondContact O-OG 2.91Å
261	L	91.4	Very high	92.2	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-69.6	-43.6	178.9	177.3	61.6	0	0	0	111.2	L220 K224 L227 L234 E258 S264 T265	L220-L261 HydrophobicContact CD2-CD2 4.33Å; K224-L261 HydrophobicContact CG-CD2 4.36Å; L227-L261 HydrophobicContact CD1-CD1 3.45Å; L227-L261 VanDerWaalsContact CD1-CD1 3.45Å; L234-L261 HydrophobicContact CD2-CD1 4.12Å; L234-L261 HydrophobicContact CD2-CD2 4Å; L234-L261 HydrophobicContact CD2-CG 3.8Å; E258-L261 PolarHBondContact O-N 3.26Å; L261-S264 PolarHBondContact O-N 2.74Å; L261-S264 PolarHBondContact O-OG 2.93Å; L261-T265 HydrophobicContact CD1-CG2 4.36Å; L261-T265 WeakPolarHBondContact O-CG2 3.3Å; L261-T265 PolarHBondContact O-N 2.98Å; L261-T265 PolarHBondContact O-OG1 2.91Å
262	L	91.8	Very high	92.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.8	-38	-178.5	-64.9	177	0	0	0	111.7	I238 L255 E258 T265 D266 C267 F268 I271	I238-L262 HydrophobicContact CD1-CD2 4.13Å; L255-L262 HydrophobicContact CD2-CD1 4.01Å; E258-L262 HydrophobicContact CB-CD1 4.03Å; E258-L262 HydrophobicContact CB-CG 4Å; E258-L262 WeakPolarHBondContact O-CG 3.1Å; E258-L262 PolarHBondContact O-N 2.89Å; L262-T265 PolarHBondContact O-N 2.88Å; L262-T265 PolarHBondContact O-OG1 3.04Å; L262-D266 PolarHBondContact O-N 2.83Å; L262-C267 HydrophobicContact CB-CB 4.46Å; L262-C267 HydrophobicContact CD2-CB 3.59Å; L262-C267 PolarHBondContact O-N 3.19Å; L262-C267 VanDerWaalsContact O-N 3.1Å; L262-F268 HydrophobicContact CB-CB 4.13Å; L262-F268 HydrophobicContact CB-CD2 4.39Å; L262-F268 PolarHBondContact O-N 2.9Å; L262-I271 HydrophobicContact CD1-CG1 4.38Å
263	K	90.1	Very high	92	Very high	116 Å²	116	62.6 Å²	62.6	50%	0.504	33%	0.328	S	S	.	.	H	α-helix	trans	-68.9	-31.9	175.2	-75.9	179.5	175	179.3	0	113.2	E259 T265 F268	E259-K263 HydrophobicContact CG-CD 4.04Å; E259-K263 WeakPolarHBondContact O-CB 3.25Å; E259-K263 VanDerWaalsContact O-CG 3.28Å; E259-K263 WeakPolarHBondContact O-CG 3.49Å; E259-K263 PolarHBondContact O-N 2.63Å; E259-K263 WeakPolarHBondContact OE1-CE 3.45Å; E259-K263 IonicContact OE1-NZ 2.6Å; E259-K263 PolarHBondContact OE1-NZ 2.61Å; K263-T265 PolarHBondContact O-N 3.05Å; K263-F268 HydrophobicContact CG-CB 4.36Å; K263-F268 HydrophobicContact CG-CD2 3.99Å; K263-F268 HydrophobicContact CG-CG 4.27Å
264	S	88.4	Confident	92	Very high	74 Å²	74	59.2 Å²	59.2	52%	0.517	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.3	178.5	69	0	0	0	0	113.7	S260 L261	S260-S264 PolarHBondContact O-N 3.1Å; S260-S264 PolarHBondContact O-OG 2.91Å; L261-S264 PolarHBondContact O-N 2.74Å; L261-S264 PolarHBondContact O-OG 2.93Å
265	T	84.2	Confident	92	Very high	11 Å²	11	59.3 Å²	59.3	7%	0.067	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	14.1	-172	55.2	0	0	0	0	113.3	Q231 L234 P235 L261 L262 K263 C267	Q231-T265 HydrophobicContact CB-CG2 4.09Å; Q231-T265 WeakPolarHBondContact O-CG2 3.35Å; L234-T265 HydrophobicContact CD2-CG2 4.18Å; P235-T265 VanDerWaalsContact CG-O 3.25Å; P235-T265 WeakPolarHBondContact CG-O 3.09Å; L261-T265 HydrophobicContact CD1-CG2 4.36Å; L261-T265 WeakPolarHBondContact O-CG2 3.3Å; L261-T265 PolarHBondContact O-N 2.98Å; L261-T265 PolarHBondContact O-OG1 2.91Å; L262-T265 PolarHBondContact O-N 2.88Å; L262-T265 PolarHBondContact O-OG1 3.04Å; K263-T265 PolarHBondContact O-N 3.05Å; T265-C267 PolarHBondContact O-N 2.91Å; T265-C267 PolarHBondContact O-SG 2.89Å; T265-C267 PolarHBondContact OG1-SG 3.41Å; T265-C267 VanDerWaalsContact OG1-SG 3.41Å
266	D	87	Confident	92	Very high	133 Å²	133	63.9 Å²	63.9	71%	0.711	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	11.4	-176.2	-54.5	-35.6	0	0	0	114.8	L262 F268	L262-D266 PolarHBondContact O-N 2.83Å; D266-F268 VanDerWaalsContact C-N 3.32Å
267	C	93.6	Very high	91.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-81.5	-15	-179.4	-65	0	0	0	0	112.6	P235 I238 L262 T265 D269 I270 I271	P235-C267 VanDerWaalsContact CA-SG 3.56Å; I238-C267 HydrophobicContact CD1-CB 3.83Å; L262-C267 HydrophobicContact CB-CB 4.46Å; L262-C267 HydrophobicContact CD2-CB 3.59Å; L262-C267 PolarHBondContact O-N 3.19Å; L262-C267 VanDerWaalsContact O-N 3.1Å; T265-C267 PolarHBondContact O-N 2.91Å; T265-C267 PolarHBondContact O-SG 2.89Å; T265-C267 PolarHBondContact OG1-SG 3.41Å; T265-C267 VanDerWaalsContact OG1-SG 3.41Å; C267-D269 VanDerWaalsContact C-N 3.34Å; C267-D269 PolarHBondContact O-N 3.26Å; C267-I270 PolarHBondContact O-N 3.31Å; C267-I271 WeakPolarHBondContact O-CG1 3.19Å; C267-I271 PolarHBondContact O-N 3.05Å; C267-I271 VanDerWaalsContact O-N 3.14Å
268	F	93.8	Very high	91.8	Very high	55 Å²	55	54 Å²	54	24%	0.241	29%	0.289	C	S	.	.	H	α-helix	trans	-58.5	-45.6	178.9	-171.2	-86.3	0	0	0	111.7	L255 E259 L262 K263 D266 I271 M272	L255-F268 HydrophobicContact CD2-CD2 3.79Å; L255-F268 HydrophobicContact CD2-CE2 3.77Å; L255-F268 HydrophobicContact CD2-CG 4.31Å; L255-F268 HydrophobicContact CD2-CZ 4.27Å; E259-F268 HydrophobicContact CG-CE2 4.34Å; L262-F268 HydrophobicContact CB-CB 4.13Å; L262-F268 HydrophobicContact CB-CD2 4.39Å; L262-F268 PolarHBondContact O-N 2.9Å; K263-F268 HydrophobicContact CG-CB 4.36Å; K263-F268 HydrophobicContact CG-CD2 3.99Å; K263-F268 HydrophobicContact CG-CG 4.27Å; D266-F268 VanDerWaalsContact C-N 3.32Å; F268-I271 PolarHBondContact O-N 3.44Å; F268-M272 HydrophobicContact CD1-CG 3.98Å; F268-M272 HydrophobicContact CE1-CG 3.67Å; F268-M272 HydrophobicContact CE1-SD 4.38Å; F268-M272 HydrophobicContact CZ-CG 4.32Å; F268-M272 WeakPolarHBondContact O-CG 3.3Å; F268-M272 PolarHBondContact O-N 2.99Å
269	D	92.9	Very high	91.5	Very high	108 Å²	108	58 Å²	58	58%	0.578	31%	0.307	S	S	*	.	H	α-helix	trans	-68.2	-36.3	179.8	-68.4	-28.5	0	0	0	111.7	C267 I271 M272 D273	C267-D269 VanDerWaalsContact C-N 3.34Å; C267-D269 PolarHBondContact O-N 3.26Å; D269-I271 PolarHBondContact O-N 3.12Å; D269-M272 PolarHBondContact O-N 2.79Å; D269-D273 WeakPolarHBondContact O-CB 2.85Å; D269-D273 PolarHBondContact O-N 3.05Å
270	I	95.3	Very high	91.2	Very high	46 Å²	46	56.2 Å²	56.2	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-47.4	175.9	-57.1	178	0	0	0	110.7	I238 E239 L243 C267 D273 A274	I238-I270 HydrophobicContact CG2-CG2 3.95Å; E239-I270 HydrophobicContact CG-CD1 4.43Å; L243-I270 HydrophobicContact CD1-CG2 3.78Å; C267-I270 PolarHBondContact O-N 3.31Å; I270-D273 PolarHBondContact O-N 2.78Å; I270-A274 PolarHBondContact O-N 2.76Å
271	I	95.6	Very high	90.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68.9	-39.7	179.3	-60	-68.8	0	0	0	111	I238 L243 L251 L255 L262 C267 F268 D269 D273 A274 I275	I238-I271 HydrophobicContact CG2-CD1 4.37Å; L243-I271 HydrophobicContact CD1-CD1 3.83Å; L243-I271 HydrophobicContact CD2-CD1 3.81Å; L243-I271 HydrophobicContact CG-CD1 4.47Å; L251-I271 HydrophobicContact CB-CG2 4.36Å; L251-I271 HydrophobicContact CD2-CD1 4.44Å; L251-I271 HydrophobicContact CD2-CG2 4.24Å; L255-I271 HydrophobicContact CD1-CG2 4.16Å; L255-I271 HydrophobicContact CD2-CB 3.8Å; L255-I271 HydrophobicContact CD2-CG2 3.6Å; L255-I271 HydrophobicContact CG-CB 4.35Å; L255-I271 HydrophobicContact CG-CG2 3.59Å; L262-I271 HydrophobicContact CD1-CG1 4.38Å; C267-I271 WeakPolarHBondContact O-CG1 3.19Å; C267-I271 PolarHBondContact O-N 3.05Å; C267-I271 VanDerWaalsContact O-N 3.14Å; F268-I271 PolarHBondContact O-N 3.44Å; D269-I271 PolarHBondContact O-N 3.12Å; I271-D273 VanDerWaalsContact C-N 3.34Å; I271-D273 PolarHBondContact O-N 3.29Å; I271-A274 WeakPolarHBondContact O-CB 3.4Å; I271-A274 PolarHBondContact O-N 3.45Å; I271-I275 WeakPolarHBondContact O-CG1 3.11Å; I271-I275 PolarHBondContact O-N 2.8Å
272	M	93.8	Very high	90.4	Very high	67 Å²	67	53 Å²	53	33%	0.33	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-40.9	175.8	-79.1	-66.5	-62.6	0	0	112.6	L255 F268 D269 I275 K276	L255-M272 HydrophobicContact CD1-CG 4.09Å; L255-M272 HydrophobicContact CD1-SD 3.45Å; L255-M272 WeakPolarHBondContact CD1-SD 3.32Å; L255-M272 HydrophobicContact CD2-CG 4.45Å; F268-M272 HydrophobicContact CD1-CG 3.98Å; F268-M272 HydrophobicContact CE1-CG 3.67Å; F268-M272 HydrophobicContact CE1-SD 4.38Å; F268-M272 HydrophobicContact CZ-CG 4.32Å; F268-M272 WeakPolarHBondContact O-CG 3.3Å; F268-M272 PolarHBondContact O-N 2.99Å; D269-M272 PolarHBondContact O-N 2.79Å; M272-I275 PolarHBondContact O-N 3.02Å; M272-K276 PolarHBondContact O-N 3.4Å
273	D	93.9	Very high	90.1	Very high	91 Å²	91	53.1 Å²	53.1	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-70.1	-34.4	176.1	-74.9	-16.2	0	0	0	111.8	D269 I270 I271 I275 K276 C277	D269-D273 WeakPolarHBondContact O-CB 2.85Å; D269-D273 PolarHBondContact O-N 3.05Å; I270-D273 PolarHBondContact O-N 2.78Å; I271-D273 VanDerWaalsContact C-N 3.34Å; I271-D273 PolarHBondContact O-N 3.29Å; D273-I275 PolarHBondContact O-N 3.38Å; D273-K276 PolarHBondContact O-N 3.47Å; D273-K276 IonicContact OD1-NZ 3.94Å; D273-K276 PolarHBondContact OD1-NZ 3.31Å; D273-C277 WeakPolarHBondContact O-CB 3.43Å; D273-C277 PolarHBondContact O-N 3.37Å
274	A	94.2	Very high	90.1	Very high	11 Å²	11	48.4 Å²	48.4	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-41.3	171.1	0	0	0	0	0	112.3	L243 L251 I270 I271 K276 C277 V278	L243-A274 HydrophobicContact CB-CB 3.56Å; L243-A274 HydrophobicContact CD1-CB 3.94Å; L243-A274 HydrophobicContact CG-CB 4.41Å; L251-A274 HydrophobicContact CD1-CB 4.14Å; I270-A274 PolarHBondContact O-N 2.76Å; I271-A274 WeakPolarHBondContact O-CB 3.4Å; I271-A274 PolarHBondContact O-N 3.45Å; A274-K276 PolarHBondContact O-N 3.31Å; A274-C277 VanDerWaalsContact O-CB 3.31Å; A274-C277 WeakPolarHBondContact O-CB 3.21Å; A274-C277 PolarHBondContact O-N 3.13Å; A274-C277 VanDerWaalsContact O-N 3.16Å; A274-V278 WeakPolarHBondContact O-CG2 3.16Å; A274-V278 PolarHBondContact O-N 2.73Å
275	I	94.9	Very high	90	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.062	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-48.1	175.5	-69.6	169.7	0	0	0	110.9	E248 L251 Q252 L255 I271 M272 D273 C277 V278 Q279	E248-I275 HydrophobicContact CG-CG2 4.32Å; L251-I275 HydrophobicContact CB-CD1 4.02Å; L251-I275 HydrophobicContact CB-CG1 3.54Å; L251-I275 HydrophobicContact CD1-CG1 3.87Å; L251-I275 HydrophobicContact CG-CG1 4.34Å; Q252-I275 HydrophobicContact CG-CD1 4.04Å; L255-I275 HydrophobicContact CD1-CD1 3.46Å; L255-I275 VanDerWaalsContact CD1-CD1 3.46Å; L255-I275 HydrophobicContact CG-CD1 4.44Å; I271-I275 WeakPolarHBondContact O-CG1 3.11Å; I271-I275 PolarHBondContact O-N 2.8Å; M272-I275 PolarHBondContact O-N 3.02Å; D273-I275 PolarHBondContact O-N 3.38Å; I275-C277 PolarHBondContact O-N 2.87Å; I275-V278 PolarHBondContact O-N 2.87Å; I275-Q279 HydrophobicContact CG2-CG 4.49Å; I275-Q279 WeakPolarHBondContact O-CG 3.43Å; I275-Q279 PolarHBondContact O-N 3.23Å
276	K	93.4	Very high	89.9	Confident	118 Å²	118	48.6 Å²	48.6	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-59.5	-39.9	176.5	-63.5	171.2	-162.2	154.3	0	111.3	M272 D273 A274 Q279 G280	M272-K276 PolarHBondContact O-N 3.4Å; D273-K276 PolarHBondContact O-N 3.47Å; D273-K276 IonicContact OD1-NZ 3.94Å; D273-K276 PolarHBondContact OD1-NZ 3.31Å; A274-K276 PolarHBondContact O-N 3.31Å; K276-Q279 PolarHBondContact O-N 3.17Å; K276-G280 PolarHBondContact O-N 2.95Å
277	C	90.6	Very high	90.1	Very high	42 Å²	42	45.2 Å²	45.2	28%	0.284	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-46.9	177.7	-172.1	0	0	0	0	111.9	D273 A274 I275 Q279 G280 S281 F285	D273-C277 WeakPolarHBondContact O-CB 3.43Å; D273-C277 PolarHBondContact O-N 3.37Å; A274-C277 VanDerWaalsContact O-CB 3.31Å; A274-C277 WeakPolarHBondContact O-CB 3.21Å; A274-C277 PolarHBondContact O-N 3.13Å; A274-C277 VanDerWaalsContact O-N 3.16Å; I275-C277 PolarHBondContact O-N 2.87Å; C277-Q279 PolarHBondContact O-N 3.06Å; C277-G280 PolarHBondContact O-N 3.37Å; C277-S281 PolarHBondContact O-N 3.25Å; C277-F285 WeakPolarHBondContact SG-CE2 3.14Å; C277-F285 WeakPolarHBondContact SG-CZ 3.48Å
278	V	90.3	Very high	90	Very high	20 Å²	20	45.7 Å²	45.7	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-43	176.4	173.1	0	0	0	0	111.2	E248 L251 A274 I275 G280 G282	E248-V278 HydrophobicContact CB-CG1 4.47Å; L251-V278 HydrophobicContact CD1-CG2 4Å; A274-V278 WeakPolarHBondContact O-CG2 3.16Å; A274-V278 PolarHBondContact O-N 2.73Å; I275-V278 PolarHBondContact O-N 2.87Å; V278-G280 PolarHBondContact O-N 2.89Å; V278-G282 VanDerWaalsContact O-CA 3.24Å; V278-G282 WeakPolarHBondContact O-CA 3.5Å; V278-G282 PolarHBondContact O-N 3.49Å
279	Q	87.7	Confident	90	Very high	115 Å²	115	43.1 Å²	43.1	54%	0.537	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-38.5	177.7	-72.4	174.9	-13.3	0	0	112.9	E248 I275 K276 C277	E248-Q279 PolarHBondContact OE1-NE2 3.39Å; E248-Q279 WeakPolarHBondContact OE2-CG 3.13Å; I275-Q279 HydrophobicContact CG2-CG 4.49Å; I275-Q279 WeakPolarHBondContact O-CG 3.43Å; I275-Q279 PolarHBondContact O-N 3.23Å; K276-Q279 PolarHBondContact O-N 3.17Å; C277-Q279 PolarHBondContact O-N 3.06Å
280	G	83.4	Confident	89.9	Confident	49 Å²	49	40.9 Å²	40.9	51%	0.505	24%	0.237	S	C	.	.	H	α-helix	trans	-87.9	-37.9	-175.3	0	0	0	0	0	115.4	K276 C277 V278	K276-G280 PolarHBondContact O-N 2.95Å; C277-G280 PolarHBondContact O-N 3.37Å; V278-G280 PolarHBondContact O-N 2.89Å
281	S	82.9	Confident	89.8	Confident	26 Å²	26	39.8 Å²	39.8	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-132.2	15.6	-168.4	-62.1	0	0	0	0	113.3	C277 G283 L284	C277-S281 PolarHBondContact O-N 3.25Å; S281-G283 PolarHBondContact O-N 3.26Å; S281-L284 WeakPolarHBondContact O-CB 3.39Å; S281-L284 PolarHBondContact O-N 3.46Å
282	G	81.2	Confident	89.7	Confident	20 Å²	20	39.8 Å²	39.8	21%	0.206	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	128.2	-179.3	0	0	0	0	0	114.1	V278 L284 K343	V278-G282 VanDerWaalsContact O-CA 3.24Å; V278-G282 WeakPolarHBondContact O-CA 3.5Å; V278-G282 PolarHBondContact O-N 3.49Å; G282-L284 VanDerWaalsContact C-N 3.32Å; G282-K343 WeakPolarHBondContact O-CE 3.47Å; G282-K343 PolarHBondContact O-NZ 2.92Å; G282-K343 VanDerWaalsContact O-NZ 3.11Å
283	G	85.5	Confident	89.6	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	6	-178.3	0	0	0	0	0	115.1	S281 E342	S281-G283 PolarHBondContact O-N 3.26Å; G283-E342 WeakPolarHBondContact O-CB 3.37Å; G283-E342 PolarHBondContact O-N 3.19Å
284	L	89.3	Confident	89.5	Confident	17 Å²	17	33.2 Å²	33.2	9%	0.089	20%	0.199	C	C	.	.			trans	-96.7	-0.4	172.5	-71	170.5	0	0	0	113.6	S281 G282 P286 Y340 K343 F345 P429 L430	S281-L284 WeakPolarHBondContact O-CB 3.39Å; S281-L284 PolarHBondContact O-N 3.46Å; G282-L284 VanDerWaalsContact C-N 3.32Å; L284-P286 WeakPolarHBondContact O-CD 3.36Å; L284-Y340 HydrophobicContact CB-CE1 4.35Å; L284-Y340 HydrophobicContact CD2-CD1 4Å; L284-Y340 HydrophobicContact CD2-CE1 4.44Å; L284-Y340 WeakPolarHBondContact O-CE1 3.47Å; L284-Y340 VanDerWaalsContact O-CZ 3.29Å; L284-Y340 PolarHBondContact O-OH 3.1Å; L284-K343 HydrophobicContact CD2-CB 4.14Å; L284-K343 HydrophobicContact CD2-CG 3.47Å; L284-K343 VanDerWaalsContact CD2-CG 3.47Å; L284-K343 HydrophobicContact CG-CG 4.13Å; L284-F345 HydrophobicContact CD2-CE2 4.24Å; L284-F345 HydrophobicContact CD2-CZ 3.94Å; L284-P429 HydrophobicContact CD2-CB 4.03Å; L284-L430 HydrophobicContact CB-CD2 3.87Å
285	F	86.6	Confident	89.4	Confident	40 Å²	40	35 Å²	35	18%	0.175	21%	0.205	C	C	.	.			trans	-94.8	116.1	178.9	-64.8	-80.8	0	0	0	109.5	H244 Q245 C277 D287 L430	H244-F285 HydrophobicContact CB-CD2 3.95Å; H244-F285 HydrophobicContact CB-CE2 4.1Å; H244-F285 HydrophobicContact CB-CG 4.42Å; H244-F285 WeakPolarHBondContact CD2-CB 3.4Å; H244-F285 AromaticContact CD2-CD2 3.76Å; H244-F285 AromaticContact CD2-CG 3.43Å; H244-F285 VanDerWaalsContact CD2-CG 3.43Å; H244-F285 WeakPolarHBondContact CD2-CG 3.4Å; Q245-F285 PolarHBondContact NE2-O 2.9Å; C277-F285 WeakPolarHBondContact SG-CE2 3.14Å; C277-F285 WeakPolarHBondContact SG-CZ 3.48Å; F285-D287 VanDerWaalsContact C-N 3.31Å; F285-L430 HydrophobicContact CD1-CD1 4.38Å; F285-L430 HydrophobicContact CD1-CD2 4.3Å; F285-L430 HydrophobicContact CE1-CD1 3.99Å; F285-L430 HydrophobicContact CE1-CD2 3.82Å; F285-L430 HydrophobicContact CE2-CD2 4.36Å; F285-L430 HydrophobicContact CZ-CD2 3.84Å
286	P	82.8	Confident	89.4	Confident	50 Å²	50	34.7 Å²	34.7	33%	0.325	20%	0.203	S	C	.	.			trans	-85	-7.5	-174.8	35.6	-37.4	0	0	0	112.8	L284 A288 Y340 D403	L284-P286 WeakPolarHBondContact O-CD 3.36Å; P286-A288 PolarHBondContact O-N 3.4Å; P286-Y340 HydrophobicContact CB-CE2 4.15Å; P286-Y340 VanDerWaalsContact CD-OH 3.29Å; P286-Y340 WeakPolarHBondContact CD-OH 3.36Å; P286-Y340 HydrophobicContact CG-CE2 3.79Å; P286-D403 WeakPolarHBondContact CG-OD1 3.05Å
287	D	90.8	Very high	89.6	Confident	61 Å²	61	29 Å²	29	33%	0.326	18%	0.178	S	C	.	.			trans	-75.3	18.8	-177.8	74.1	-27.9	0	0	0	113	R242 H244 Q245 F285	R242-D287 WeakPolarHBondContact CD-O 3.34Å; R242-D287 VanDerWaalsContact CZ-O 3.24Å; R242-D287 PolarHBondContact NE-O 3.39Å; R242-D287 PolarHBondContact NH1-O 2.97Å; H244-D287 IonicContact CD2-OD1 3.94Å; H244-D287 IonicContact CE1-OD1 3.98Å; H244-D287 IonicContact CE1-OD2 2.74Å; H244-D287 PolarHBondContact CE1-OD2 2.87Å; H244-D287 IonicContact NE2-OD1 2.64Å; H244-D287 PolarHBondContact NE2-OD1 3.37Å; H244-D287 IonicContact NE2-OD2 3.86Å; H244-D287 PolarHBondContact NE2-OD2 3.1Å; Q245-D287 PolarHBondContact NE2-OD1 3.12Å; F285-D287 VanDerWaalsContact C-N 3.31Å
288	A	91.6	Very high	89.8	Confident	11 Å²	11	27 Å²	27	9%	0.091	17%	0.165	C	C	.	.			trans	-62.9	141.9	173	0	0	0	0	0	109.9	Q245 P286 T293	Q245-A288 HydrophobicContact CG-CB 4.28Å; P286-A288 PolarHBondContact O-N 3.4Å; A288-T293 HydrophobicContact CB-CG2 3.35Å
289	R	93.3	Very high	90	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.159	C	C	.	.			trans	-61.8	137.9	177.5	-63.3	178.8	-162.2	-85.4	-4.6	108.8	L202 S204 E212 R242 S291 T292	L202-R289 PolarHBondContact O-NH1 2.95Å; L202-R289 PolarHBondContact O-NH2 3.21Å; S204-R289 PolarHBondContact O-NH1 3.05Å; E212-R289 IonicContact OE1-CZ 3.84Å; E212-R289 IonicContact OE1-NE 3.64Å; E212-R289 IonicContact OE1-NH2 2.74Å; E212-R289 PolarHBondContact OE1-NH2 3.36Å; E212-R289 VanDerWaalsContact OE1-NH2 3.1Å; E212-R289 WeakPolarHBondContact OE2-CD 3.32Å; E212-R289 IonicContact OE2-CZ 3.97Å; E212-R289 IonicContact OE2-NE 3.74Å; E212-R289 PolarHBondContact OE2-NE 3.41Å; E212-R289 IonicContact OE2-NH2 4Å; R242-R289 VanDerWaalsContact NH1-CG 3.28Å; R289-S291 PolarHBondContact O-N 2.95Å; R289-S291 VanDerWaalsContact O-N 3.12Å; R289-T292 HydrophobicContact CB-CG2 4.14Å; R289-T292 PolarHBondContact N-OG1 2.96Å; R289-T292 PolarHBondContact O-N 3.36Å; R289-T292 PolarHBondContact O-OG1 2.83Å
290	P	91.8	Very high	90.3	Very high	62 Å²	62	20.6 Å²	20.6	40%	0.403	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-52.7	-38.6	178.2	-28.6	37	0	0	0	112.5	D205 T292 T293	D205-P290 WeakPolarHBondContact O-CD 3.29Å; P290-T292 VanDerWaalsContact C-N 3.26Å; P290-T292 PolarHBondContact O-N 3.36Å; P290-T293 PolarHBondContact O-N 3.29Å; P290-T293 PolarHBondContact O-OG1 2.96Å; P290-T293 VanDerWaalsContact O-OG1 3.04Å
291	S	92.8	Very high	90.7	Very high	23 Å²	23	19 Å²	19	16%	0.161	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-60.2	-28.2	176.7	60	0	0	0	0	114.3	L207 V209 R289 K601	L207-S291 PolarHBondContact O-OG 3.06Å; V209-S291 PolarHBondContact N-OG 2.82Å; V209-S291 PolarHBondContact O-OG 2.8Å; R289-S291 PolarHBondContact O-N 2.95Å; R289-S291 VanDerWaalsContact O-N 3.12Å; S291-K601 WeakPolarHBondContact O-CE 3.37Å; S291-K601 PolarHBondContact O-NZ 3.44Å
292	T	93.1	Very high	91	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-95	5.9	-178.9	64.1	0	0	0	0	113.4	V209 R289 P290 N600 K601	V209-T292 HydrophobicContact CG2-CG2 3.76Å; R289-T292 HydrophobicContact CB-CG2 4.14Å; R289-T292 PolarHBondContact N-OG1 2.96Å; R289-T292 PolarHBondContact O-N 3.36Å; R289-T292 PolarHBondContact O-OG1 2.83Å; P290-T292 VanDerWaalsContact C-N 3.26Å; P290-T292 PolarHBondContact O-N 3.36Å; T292-N600 PolarHBondContact O-OD1 3.47Å; T292-K601 WeakPolarHBondContact O-CG 3.43Å; T292-K601 PolarHBondContact O-N 3.23Å
293	T	92.3	Very high	91.2	Very high	5 Å²	5	19 Å²	19	3%	0.031	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.1	-174.5	62.4	0	0	0	0	113.9	A288 P290 Q598 F599	A288-T293 HydrophobicContact CB-CG2 3.35Å; P290-T293 PolarHBondContact O-N 3.29Å; P290-T293 PolarHBondContact O-OG1 2.96Å; P290-T293 VanDerWaalsContact O-OG1 3.04Å; T293-Q598 VanDerWaalsContact CB-NE2 3.35Å; T293-Q598 HydrophobicContact CG2-CG 4.12Å; T293-Q598 PolarHBondContact OG1-NE2 2.99Å; T293-F599 CarbonylContact C-O 3.58Å; T293-F599 WeakPolarHBondContact CA-O 3.39Å; T293-F599 WeakPolarHBondContact CB-O 3.38Å
294	E	91.5	Very high	91.1	Very high	14 Å²	14	22.4 Å²	22.4	7%	0.065	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.1	170.5	-67.2	-58.5	152.2	0	0	109.9	Y296 K317 Q598 F599 K601	E294-Y296 HydrophobicContact CB-CE2 3.78Å; E294-K317 IonicContact OE1-NZ 2.68Å; E294-K317 PolarHBondContact OE1-NZ 2.9Å; E294-K317 VanDerWaalsContact OE2-CD 3.25Å; E294-K317 WeakPolarHBondContact OE2-CD 3.21Å; E294-K317 WeakPolarHBondContact OE2-CE 3.32Å; E294-K317 IonicContact OE2-NZ 3.25Å; E294-K317 PolarHBondContact OE2-NZ 3.01Å; E294-Q598 CarbonylContact O-C 3.56Å; E294-Q598 VanDerWaalsContact O-CA 3.31Å; E294-Q598 WeakPolarHBondContact O-CA 3.35Å; E294-F599 PolarHBondContact N-O 2.84Å; E294-F599 PolarHBondContact O-N 3.33Å; E294-K601 HydrophobicContact CG-CG 3.81Å; E294-K601 WeakPolarHBondContact OE1-CE 3.33Å; E294-K601 IonicContact OE1-NZ 2.76Å
295	K	92.5	Very high	90.7	Very high	50 Å²	50	25.5 Å²	25.5	22%	0.217	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.2	-179.7	-64.4	178.1	-171	164	0	109.9	I316 I549 E550 I597 Q598	K295-I316 HydrophobicContact CB-CD1 4.3Å; K295-I549 HydrophobicContact CB-CD1 3.83Å; K295-I549 HydrophobicContact CD-CD1 3.55Å; K295-I549 HydrophobicContact CD-CG1 4.24Å; K295-I549 HydrophobicContact CG-CD1 4.3Å; K295-E550 IonicContact NZ-OE1 3.88Å; K295-E550 PolarHBondContact NZ-OE1 2.79Å; K295-I597 CarbonylContact C-O 3.34Å; K295-I597 WeakPolarHBondContact CA-O 3.48Å; K295-Q598 HydrophobicContact CG-CB 4.16Å; K295-Q598 HydrophobicContact CG-CG 3.96Å
296	Y	94.9	Very high	90.3	Very high	4 Å²	4	26 Å²	26	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.1	179.3	-60.4	-90.6	0	0	0	110.3	E294 C313 Y314 N315 V596 I597 F599 D604 W606	E294-Y296 HydrophobicContact CB-CE2 3.78Å; Y296-C313 HydrophobicContact CD1-CB 4.45Å; Y296-Y314 VanDerWaalsContact CA-O 3.29Å; Y296-Y314 WeakPolarHBondContact CA-O 3.4Å; Y296-N315 HydrophobicContact CD1-CB 4.04Å; Y296-N315 HydrophobicContact CE1-CB 3.81Å; Y296-V596 WeakPolarHBondContact O-CA 3.37Å; Y296-I597 PolarHBondContact N-O 2.81Å; Y296-I597 PolarHBondContact O-N 3.31Å; Y296-F599 AromaticContact CD2-CD2 3.9Å; Y296-F599 HydrophobicContact CD2-CD2 3.9Å; Y296-F599 HydrophobicContact CD2-CE2 4.33Å; Y296-F599 HydrophobicContact CE2-CD2 4.01Å; Y296-D604 WeakPolarHBondContact CE2-OD2 3.17Å; Y296-D604 VanDerWaalsContact CZ-OD2 3.25Å; Y296-D604 PolarHBondContact OH-OD2 2.63Å; Y296-W606 HydrophobicContact CD1-CE3 4.26Å; Y296-W606 AromaticContact CD2-CE3 3.83Å; Y296-W606 HydrophobicContact CD2-CE3 3.83Å; Y296-W606 HydrophobicContact CD2-CZ3 4.34Å; Y296-W606 HydrophobicContact CE1-CB 4.36Å; Y296-W606 HydrophobicContact CE2-CE3 4.39Å; Y296-W606 AromaticContact CG-CE3 3.75Å; Y296-W606 HydrophobicContact CG-CE3 3.75Å; Y296-W606 HydrophobicContact CG-CZ3 4.19Å
297	I	96.3	Very high	90.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.5	163.3	-55.7	177.6	0	0	0	107	I299 C313 Y314 I316 I547 Y554 L556 C594	I297-I299 HydrophobicContact CG2-CG1 4.43Å; I297-C313 CarbonylContact O-C 3.56Å; I297-C313 VanDerWaalsContact O-CA 3.3Å; I297-C313 WeakPolarHBondContact O-CA 3.4Å; I297-Y314 HydrophobicContact CD1-CD1 3.99Å; I297-Y314 HydrophobicContact CG1-CD1 4.33Å; I297-Y314 PolarHBondContact N-O 2.84Å; I297-Y314 PolarHBondContact O-N 3.18Å; I297-I316 HydrophobicContact CG1-CD1 4.18Å; I297-I316 HydrophobicContact CG1-CG1 4.28Å; I297-I547 HydrophobicContact CD1-CG2 4.27Å; I297-I547 HydrophobicContact CG1-CG2 4.28Å; I297-I547 HydrophobicContact CG2-CG1 4.23Å; I297-Y554 HydrophobicContact CD1-CD1 3.57Å; I297-Y554 HydrophobicContact CD1-CD2 3.77Å; I297-Y554 HydrophobicContact CD1-CE1 4.07Å; I297-Y554 HydrophobicContact CD1-CE2 4.24Å; I297-Y554 HydrophobicContact CD1-CG 3.44Å; I297-Y554 VanDerWaalsContact CD1-CG 3.44Å; I297-L556 HydrophobicContact CD1-CD2 4.47Å; I297-L556 HydrophobicContact CG2-CD2 4.18Å; I297-C594 WeakPolarHBondContact CG2-SG 3.43Å
298	F	95.4	Very high	90	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.7	175.9	176	-95.5	0	0	0	109.8	H300 T311 L324 L329 L337 I344 C594 Q595 I597 W606	F298-H300 HydrophobicContact CE1-CB 3.72Å; F298-H300 HydrophobicContact CZ-CB 3.98Å; F298-T311 HydrophobicContact CD2-CG2 4.29Å; F298-T311 HydrophobicContact CE2-CG2 3.33Å; F298-T311 HydrophobicContact CZ-CG2 3.55Å; F298-L324 HydrophobicContact CD2-CD1 4.46Å; F298-L324 HydrophobicContact CE2-CD1 4.25Å; F298-L329 HydrophobicContact CZ-CD1 4.07Å; F298-L337 HydrophobicContact CE1-CD1 4.29Å; F298-I344 HydrophobicContact CD1-CD1 3.74Å; F298-I344 HydrophobicContact CD2-CD1 4.09Å; F298-I344 HydrophobicContact CE1-CD1 3.84Å; F298-I344 HydrophobicContact CE2-CD1 4.15Å; F298-I344 HydrophobicContact CG-CD1 3.86Å; F298-I344 HydrophobicContact CZ-CD1 4.04Å; F298-C594 WeakPolarHBondContact O-CA 3.35Å; F298-Q595 PolarHBondContact N-O 3.17Å; F298-Q595 PolarHBondContact O-N 3.18Å; F298-I597 HydrophobicContact CB-CG2 4.05Å; F298-W606 HydrophobicContact CB-CH2 4.42Å; F298-W606 AromaticContact CD2-CH2 3.57Å; F298-W606 HydrophobicContact CD2-CH2 3.57Å; F298-W606 HydrophobicContact CD2-CZ2 4.13Å; F298-W606 HydrophobicContact CD2-CZ3 4.37Å; F298-W606 HydrophobicContact CE2-CH2 4.28Å; F298-W606 HydrophobicContact CE2-CZ2 4.44Å; F298-W606 HydrophobicContact CG-CH2 4.38Å
299	I	94.9	Very high	89.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.1	175.5	-66.5	-176.7	0	0	0	109.8	I297 T311 F312 W321 L556 M585 L589 F592 Y593	I297-I299 HydrophobicContact CG2-CG1 4.43Å; I299-T311 VanDerWaalsContact O-CA 3.29Å; I299-T311 WeakPolarHBondContact O-CA 3.44Å; I299-T311 WeakPolarHBondContact O-CG2 3.21Å; I299-F312 HydrophobicContact CB-CB 4.39Å; I299-F312 HydrophobicContact CB-CD2 4.34Å; I299-F312 HydrophobicContact CG2-CD2 4.07Å; I299-F312 PolarHBondContact N-O 3.47Å; I299-F312 PolarHBondContact O-N 3.46Å; I299-W321 HydrophobicContact CD1-CH2 3.49Å; I299-W321 VanDerWaalsContact CD1-CH2 3.49Å; I299-W321 HydrophobicContact CD1-CZ3 3.65Å; I299-W321 HydrophobicContact CG1-CH2 4.44Å; I299-W321 HydrophobicContact CG1-CZ3 4.29Å; I299-L556 HydrophobicContact CD1-CD2 4.02Å; I299-M585 HydrophobicContact CD1-CG 4.42Å; I299-M585 HydrophobicContact CD1-SD 3.56Å; I299-M585 VanDerWaalsContact CD1-SD 3.56Å; I299-L589 HydrophobicContact CG2-CD1 3.86Å; I299-F592 HydrophobicContact CD1-CD2 4.43Å; I299-F592 HydrophobicContact CD1-CE2 3.82Å; I299-F592 HydrophobicContact CD1-CZ 4.47Å; I299-F592 HydrophobicContact CG1-CD2 4.38Å; I299-F592 HydrophobicContact CG1-CE2 4.14Å; I299-F592 HydrophobicContact CG2-CD2 3.62Å; I299-F592 HydrophobicContact CG2-CE2 4.05Å; I299-F592 HydrophobicContact CG2-CG 4.23Å; I299-Y593 VanDerWaalsContact CA-O 3.28Å; I299-Y593 WeakPolarHBondContact CA-O 3.14Å
300	H	93.5	Very high	89.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134.4	169.6	-176.4	82.2	0	0	0	112.2	F298 T302 Y310 T311 L329 D331 Y593	F298-H300 HydrophobicContact CE1-CB 3.72Å; F298-H300 HydrophobicContact CZ-CB 3.98Å; H300-T302 PolarHBondContact NE2-OG1 3.18Å; H300-Y310 WeakPolarHBondContact CA-O 3.37Å; H300-T311 PolarHBondContact ND1-OG1 3.08Å; H300-L329 HydrophobicContact CB-CD2 4.22Å; H300-L329 VanDerWaalsContact CD2-CD2 3.44Å; H300-L329 WeakPolarHBondContact CD2-CD2 3.42Å; H300-L329 WeakPolarHBondContact CE1-CB 3.42Å; H300-D331 IonicContact CD2-OD2 2.76Å; H300-D331 IonicContact NE2-OD2 2.86Å; H300-Y593 PolarHBondContact N-O 2.59Å; H300-Y593 PolarHBondContact O-N 3Å
301	K	91.1	Very high	89.9	Confident	15 Å²	15	31.4 Å²	31.4	7%	0.065	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.7	169.6	-173.9	175.3	169.7	75.9	0	110.4	E304 Q309 Y310 L589 T590 E591 F592	K301-E304 IonicContact NZ-OE1 3.75Å; K301-Q309 WeakPolarHBondContact O-CA 3.47Å; K301-Y310 PolarHBondContact N-O 3.04Å; K301-Y310 PolarHBondContact O-N 3.14Å; K301-L589 HydrophobicContact CB-CD1 4.24Å; K301-L589 HydrophobicContact CD-CB 4.36Å; K301-L589 HydrophobicContact CD-CD2 3.98Å; K301-T590 WeakPolarHBondContact CD-O 3.2Å; K301-T590 VanDerWaalsContact CE-O 3.26Å; K301-T590 WeakPolarHBondContact CE-O 3.35Å; K301-T590 PolarHBondContact NZ-O 2.7Å; K301-E591 PolarHBondContact NZ-O 3.23Å; K301-E591 VanDerWaalsContact NZ-O 3.14Å; K301-F592 HydrophobicContact CB-CB 3.76Å; K301-F592 HydrophobicContact CD-CB 4.31Å; K301-F592 HydrophobicContact CG-CB 4.22Å
302	T	88.9	Confident	89.8	Confident	9 Å²	9	30.6 Å²	30.6	6%	0.055	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.2	156.8	-54.9	0	0	0	0	109.2	H300 N308 Q309 D331	H300-T302 PolarHBondContact NE2-OG1 3.18Å; T302-N308 WeakPolarHBondContact CA-O 3.36Å; T302-Q309 HydrophobicContact CG2-CG 4.07Å; T302-Q309 PolarHBondContact OG1-NE2 2.93Å; T302-Q309 VanDerWaalsContact OG1-NE2 3.15Å; T302-D331 WeakPolarHBondContact CB-OD2 3.4Å; T302-D331 PolarHBondContact N-OD2 3.03Å; T302-D331 WeakPolarHBondContact OG1-CB 3.42Å; T302-D331 PolarHBondContact OG1-OD2 2.83Å
303	E	85.9	Confident	89.9	Confident	38 Å²	38	30.7 Å²	30.7	18%	0.178	16%	0.16	C	C	.	.			trans	-64.4	163.4	174.8	-72.4	-174.8	175.9	0	0	111.7	N305 G306 N308 Y310 R587	E303-N305 WeakPolarHBondContact CB-OD1 3.47Å; E303-N305 PolarHBondContact O-N 2.99Å; E303-N305 VanDerWaalsContact O-N 3.14Å; E303-N305 PolarHBondContact OE2-ND2 3Å; E303-G306 PolarHBondContact O-N 2.83Å; E303-N308 HydrophobicContact CB-CB 4.14Å; E303-N308 HydrophobicContact CG-CB 3.94Å; E303-N308 PolarHBondContact N-O 2.78Å; E303-N308 VanDerWaalsContact OE2-CB 3.29Å; E303-N308 WeakPolarHBondContact OE2-CB 3.37Å; E303-N308 PolarHBondContact OE2-ND2 3.48Å; E303-Y310 HydrophobicContact CG-CE2 3.67Å; E303-Y310 WeakPolarHBondContact OE1-CE2 3.16Å; E303-Y310 VanDerWaalsContact OE1-CZ 3.26Å; E303-Y310 PolarHBondContact OE1-OH 3.25Å; E303-R587 IonicContact OE1-NH2 3.1Å
304	E	83.8	Confident	90	Very high	72 Å²	72	30.6 Å²	30.6	34%	0.336	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.4	-178.5	-60.6	74.3	-161.7	0	0	112.5	K301 G306 R356 V358	K301-E304 IonicContact NZ-OE1 3.75Å; E304-G306 PolarHBondContact O-N 2.83Å; E304-R356 WeakPolarHBondContact CG-O 3.23Å; E304-V358 WeakPolarHBondContact OE1-CG2 3.37Å
305	N	80.3	Confident	90.1	Very high	82 Å²	82	30.9 Å²	30.9	44%	0.439	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.2	173.1	66.6	15.2	0	0	0	113.4	E303 E307 N308	E303-N305 WeakPolarHBondContact CB-OD1 3.47Å; E303-N305 PolarHBondContact O-N 2.99Å; E303-N305 VanDerWaalsContact O-N 3.14Å; E303-N305 PolarHBondContact OE2-ND2 3Å; N305-E307 PolarHBondContact O-N 2.9Å; N305-E307 PolarHBondContact OD1-N 2.79Å; N305-N308 PolarHBondContact ND2-ND2 3.08Å; N305-N308 VanDerWaalsContact ND2-ND2 3.13Å; N305-N308 PolarHBondContact OD1-N 3.47Å; N305-N308 VanDerWaalsContact OD1-N 3.15Å
306	G	78	Confident	90	Very high	50 Å²	50	29.8 Å²	29.8	52%	0.515	16%	0.158	S	C	.	.	S	Bend	trans	72.7	-1.5	-177.9	0	0	0	0	0	115.2	E303 E304	E303-G306 PolarHBondContact O-N 2.83Å; E304-G306 PolarHBondContact O-N 2.83Å
307	E	80	Confident	89.8	Confident	157 Å²	157	36.2 Å²	36.2	73%	0.734	19%	0.186	S	C	*	.	S	Bend	trans	-100.4	-38.9	-174.5	-64.9	-173.2	164.2	0	0	112.1	N305	N305-E307 PolarHBondContact O-N 2.9Å; N305-E307 PolarHBondContact OD1-N 2.79Å
308	N	87.4	Confident	89.5	Confident	63 Å²	63	40.3 Å²	40.3	34%	0.337	21%	0.211	S	C	.	.			trans	-92.6	121.6	-176.9	-66.8	-34.3	0	0	0	110.6	T302 E303 N305 Y310	T302-N308 WeakPolarHBondContact CA-O 3.36Å; E303-N308 HydrophobicContact CB-CB 4.14Å; E303-N308 HydrophobicContact CG-CB 3.94Å; E303-N308 PolarHBondContact N-O 2.78Å; E303-N308 VanDerWaalsContact OE2-CB 3.29Å; E303-N308 WeakPolarHBondContact OE2-CB 3.37Å; E303-N308 PolarHBondContact OE2-ND2 3.48Å; N305-N308 PolarHBondContact ND2-ND2 3.08Å; N305-N308 VanDerWaalsContact ND2-ND2 3.13Å; N305-N308 PolarHBondContact OD1-N 3.47Å; N305-N308 VanDerWaalsContact OD1-N 3.15Å; N308-Y310 HydrophobicContact CB-CE2 4.38Å
309	Q	89.9	Confident	89.5	Confident	39 Å²	39	43.3 Å²	43.3	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.4	174.9	-63.9	-170.1	-35.5	0	0	110.4	K301 T302 S327 L329	K301-Q309 WeakPolarHBondContact O-CA 3.47Å; T302-Q309 HydrophobicContact CG2-CG 4.07Å; T302-Q309 PolarHBondContact OG1-NE2 2.93Å; T302-Q309 VanDerWaalsContact OG1-NE2 3.15Å; Q309-S327 PolarHBondContact OE1-O 3.25Å; Q309-L329 PolarHBondContact NE2-O 2.91Å
310	Y	91.9	Very high	89.4	Confident	36 Å²	36	45.8 Å²	45.8	14%	0.141	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.9	174.4	-51	-65.8	0	0	0	109.3	H300 K301 E303 N308 F312 R587 L589	H300-Y310 WeakPolarHBondContact CA-O 3.37Å; K301-Y310 PolarHBondContact N-O 3.04Å; K301-Y310 PolarHBondContact O-N 3.14Å; E303-Y310 HydrophobicContact CG-CE2 3.67Å; E303-Y310 WeakPolarHBondContact OE1-CE2 3.16Å; E303-Y310 VanDerWaalsContact OE1-CZ 3.26Å; E303-Y310 PolarHBondContact OE1-OH 3.25Å; N308-Y310 HydrophobicContact CB-CE2 4.38Å; Y310-F312 HydrophobicContact CG-CZ 4.39Å; Y310-R587 VanDerWaalsContact CZ-CZ 3.48Å; Y310-R587 PolarHBondContact OH-NH1 3Å; Y310-R587 PolarHBondContact OH-NH2 3.15Å; Y310-L589 HydrophobicContact CD2-CD2 3.87Å; Y310-L589 HydrophobicContact CG-CD2 4.47Å
311	T	92.8	Very high	89.5	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	125.9	178.2	-47.7	0	0	0	0	109.5	F298 I299 H300 L324 S327	F298-T311 HydrophobicContact CD2-CG2 4.29Å; F298-T311 HydrophobicContact CE2-CG2 3.33Å; F298-T311 HydrophobicContact CZ-CG2 3.55Å; I299-T311 VanDerWaalsContact O-CA 3.29Å; I299-T311 WeakPolarHBondContact O-CA 3.44Å; I299-T311 WeakPolarHBondContact O-CG2 3.21Å; H300-T311 PolarHBondContact ND1-OG1 3.08Å; T311-L324 HydrophobicContact CG2-CB 4.19Å; T311-L324 HydrophobicContact CG2-CD1 3.99Å; T311-L324 PolarHBondContact O-N 3.4Å; T311-S327 PolarHBondContact OG1-OG 2.94Å
312	F	92.2	Very high	89.5	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.1	-177.9	-44	-53.4	0	0	0	110.3	I299 Y310 W321 K322 I323 P586 R587 L589	I299-F312 HydrophobicContact CB-CB 4.39Å; I299-F312 HydrophobicContact CB-CD2 4.34Å; I299-F312 HydrophobicContact CG2-CD2 4.07Å; I299-F312 PolarHBondContact N-O 3.47Å; I299-F312 PolarHBondContact O-N 3.46Å; Y310-F312 HydrophobicContact CG-CZ 4.39Å; F312-W321 HydrophobicContact CB-CE3 3.81Å; F312-W321 HydrophobicContact CB-CZ3 3.95Å; F312-K322 WeakPolarHBondContact CA-O 3.21Å; F312-I323 HydrophobicContact CD1-CB 4.38Å; F312-I323 HydrophobicContact CD1-CG1 4.02Å; F312-I323 HydrophobicContact CD1-CG2 4.28Å; F312-I323 HydrophobicContact CE1-CG1 4.13Å; F312-I323 HydrophobicContact CE1-CG2 4.25Å; F312-P586 HydrophobicContact CD1-CB 4.29Å; F312-P586 HydrophobicContact CD1-CG 3.97Å; F312-P586 HydrophobicContact CE1-CB 4.04Å; F312-P586 HydrophobicContact CE1-CG 4.23Å; F312-P586 HydrophobicContact CG-CG 4.15Å; F312-P586 HydrophobicContact CZ-CB 4.26Å; F312-R587 HydrophobicContact CE2-CB 4.41Å; F312-R587 HydrophobicContact CZ-CB 4.01Å; F312-L589 HydrophobicContact CD2-CD1 4.18Å; F312-L589 HydrophobicContact CE2-CD1 3.58Å; F312-L589 HydrophobicContact CE2-CG 4.3Å
313	C	94	Very high	89.7	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.5	161.7	62.8	0	0	0	0	110.6	Y296 I297 K322 L324 W606	Y296-C313 HydrophobicContact CD1-CB 4.45Å; I297-C313 CarbonylContact O-C 3.56Å; I297-C313 VanDerWaalsContact O-CA 3.3Å; I297-C313 WeakPolarHBondContact O-CA 3.4Å; C313-K322 PolarHBondContact N-O 3.21Å; C313-K322 PolarHBondContact O-N 3.46Å; C313-L324 HydrophobicContact CB-CD1 4.4Å; C313-W606 HydrophobicContact CB-CD2 4.17Å; C313-W606 HydrophobicContact CB-CE3 3.6Å; C313-W606 HydrophobicContact CB-CH2 4.49Å; C313-W606 HydrophobicContact CB-CZ3 3.73Å
314	Y	95.3	Very high	89.8	Confident	3 Å²	3	54.6 Å²	54.6	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.6	174.5	176.6	-107.9	0	0	0	109.7	Y296 I297 I316 D319 W321 Y554	Y296-Y314 VanDerWaalsContact CA-O 3.29Å; Y296-Y314 WeakPolarHBondContact CA-O 3.4Å; I297-Y314 HydrophobicContact CD1-CD1 3.99Å; I297-Y314 HydrophobicContact CG1-CD1 4.33Å; I297-Y314 PolarHBondContact N-O 2.84Å; I297-Y314 PolarHBondContact O-N 3.18Å; Y314-I316 HydrophobicContact CD1-CG1 4.02Å; Y314-I316 HydrophobicContact CE1-CG1 4.14Å; Y314-D319 WeakPolarHBondContact CE2-OD1 3.44Å; Y314-D319 PolarHBondContact OH-OD1 2.87Å; Y314-W321 AromaticContact CD2-CD1 3.84Å; Y314-W321 AromaticContact CD2-CD2 3.78Å; Y314-W321 HydrophobicContact CD2-CD2 3.78Å; Y314-W321 AromaticContact CD2-CE2 3.39Å; Y314-W321 HydrophobicContact CD2-CE3 4.47Å; Y314-W321 HydrophobicContact CD2-CG 4.03Å; Y314-W321 HydrophobicContact CD2-CH2 4.47Å; Y314-W321 AromaticContact CD2-CZ2 3.77Å; Y314-W321 HydrophobicContact CD2-CZ2 3.77Å; Y314-W321 AromaticContact CD2-NE1 3.43Å; Y314-W321 AromaticContact CE2-NE1 3.84Å; Y314-W321 HydrophobicContact CG-CD2 4.28Å; Y314-W321 AromaticContact CG-CE2 3.95Å; Y314-W321 HydrophobicContact CG-CH2 4.22Å; Y314-W321 AromaticContact CG-CZ2 3.9Å; Y314-W321 HydrophobicContact CG-CZ2 3.9Å; Y314-Y554 HydrophobicContact CD1-CE1 4.33Å; Y314-Y554 HydrophobicContact CE1-CD1 4.29Å; Y314-Y554 AromaticContact CE1-CE1 3.57Å; Y314-Y554 HydrophobicContact CE1-CE1 3.57Å
315	N	93	Very high	89.3	Confident	19 Å²	19	56.1 Å²	56.1	10%	0.102	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114	172.8	-174.8	-40.5	0	0	0	109.2	Y296 K317 T318 D319 S320	Y296-N315 HydrophobicContact CD1-CB 4.04Å; Y296-N315 HydrophobicContact CE1-CB 3.81Å; N315-K317 VanDerWaalsContact C-N 3.29Å; N315-K317 PolarHBondContact O-N 2.84Å; N315-K317 WeakPolarHBondContact OD1-CB 3.39Å; N315-K317 PolarHBondContact OD1-N 3.15Å; N315-T318 VanDerWaalsContact CB-OG1 3.25Å; N315-T318 WeakPolarHBondContact CB-OG1 3.3Å; N315-T318 PolarHBondContact OD1-N 2.76Å; N315-T318 VanDerWaalsContact OD1-N 3.14Å; N315-T318 PolarHBondContact OD1-OG1 2.95Å; N315-D319 WeakPolarHBondContact O-CA 3.24Å; N315-D319 PolarHBondContact O-N 2.85Å; N315-S320 PolarHBondContact N-O 2.95Å; N315-S320 PolarHBondContact O-N 2.85Å
316	I	90.8	Very high	88.5	Confident	28 Å²	28	58.5 Å²	58.5	14%	0.144	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-30.1	-174.8	-63.5	160.5	0	0	0	112.2	K295 I297 Y314 I549 Y554	K295-I316 HydrophobicContact CB-CD1 4.3Å; I297-I316 HydrophobicContact CG1-CD1 4.18Å; I297-I316 HydrophobicContact CG1-CG1 4.28Å; Y314-I316 HydrophobicContact CD1-CG1 4.02Å; Y314-I316 HydrophobicContact CE1-CG1 4.14Å; I316-I549 HydrophobicContact CD1-CD1 3.27Å; I316-I549 HydrophobicContact CD1-CG1 4.25Å; I316-I549 HydrophobicContact CD1-CG2 4.17Å; I316-Y554 WeakPolarHBondContact CG2-OH 3.49Å
317	K	89.9	Confident	87.6	Confident	138 Å²	138	56.2 Å²	56.2	60%	0.6	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-36.1	-177.6	-65.9	-175.3	-175.2	167	0	112.4	E294 N315	E294-K317 IonicContact OE1-NZ 2.68Å; E294-K317 PolarHBondContact OE1-NZ 2.9Å; E294-K317 VanDerWaalsContact OE2-CD 3.25Å; E294-K317 WeakPolarHBondContact OE2-CD 3.21Å; E294-K317 WeakPolarHBondContact OE2-CE 3.32Å; E294-K317 IonicContact OE2-NZ 3.25Å; E294-K317 PolarHBondContact OE2-NZ 3.01Å; N315-K317 VanDerWaalsContact C-N 3.29Å; N315-K317 PolarHBondContact O-N 2.84Å; N315-K317 WeakPolarHBondContact OD1-CB 3.39Å; N315-K317 PolarHBondContact OD1-N 3.15Å
318	T	91.3	Very high	87.1	Confident	86 Å²	86	56.2 Å²	56.2	53%	0.528	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-3.1	-176.7	57.7	0	0	0	0	113.6	N315 S320	N315-T318 VanDerWaalsContact CB-OG1 3.25Å; N315-T318 WeakPolarHBondContact CB-OG1 3.3Å; N315-T318 PolarHBondContact OD1-N 2.76Å; N315-T318 VanDerWaalsContact OD1-N 3.14Å; N315-T318 PolarHBondContact OD1-OG1 2.95Å; T318-S320 VanDerWaalsContact C-N 3.33Å; T318-S320 PolarHBondContact O-N 3.46Å; T318-S320 PolarHBondContact OG1-OG 2.79Å
319	D	93.8	Very high	86.7	Confident	63 Å²	63	53.4 Å²	53.4	34%	0.337	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	57.9	-173.8	179.9	15.9	0	0	0	110.6	Y314 N315 S583	Y314-D319 WeakPolarHBondContact CE2-OD1 3.44Å; Y314-D319 PolarHBondContact OH-OD1 2.87Å; N315-D319 WeakPolarHBondContact O-CA 3.24Å; N315-D319 PolarHBondContact O-N 2.85Å; D319-S583 VanDerWaalsContact CG-OG 3.3Å; D319-S583 PolarHBondContact O-OG 3.15Å; D319-S583 WeakPolarHBondContact OD1-CB 3.25Å; D319-S583 PolarHBondContact OD1-N 3.39Å; D319-S583 PolarHBondContact OD1-OG 2.89Å; D319-S583 PolarHBondContact OD2-OG 3.14Å
320	S	94.1	Very high	86.4	Confident	53 Å²	53	53.6 Å²	53.6	37%	0.371	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.9	-176.4	69.2	0	0	0	0	113	N315 T318	N315-S320 PolarHBondContact N-O 2.95Å; N315-S320 PolarHBondContact O-N 2.85Å; T318-S320 VanDerWaalsContact C-N 3.33Å; T318-S320 PolarHBondContact O-N 3.46Å; T318-S320 PolarHBondContact OG1-OG 2.79Å
321	W	94.9	Very high	86.1	Confident	42 Å²	42	52.9 Å²	52.9	16%	0.159	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	142.1	178	-68.7	93	0	0	0	111.6	I299 F312 Y314 L556 V569 S583 P584 M585 P586	I299-W321 HydrophobicContact CD1-CH2 3.49Å; I299-W321 VanDerWaalsContact CD1-CH2 3.49Å; I299-W321 HydrophobicContact CD1-CZ3 3.65Å; I299-W321 HydrophobicContact CG1-CH2 4.44Å; I299-W321 HydrophobicContact CG1-CZ3 4.29Å; F312-W321 HydrophobicContact CB-CE3 3.81Å; F312-W321 HydrophobicContact CB-CZ3 3.95Å; Y314-W321 AromaticContact CD2-CD1 3.84Å; Y314-W321 AromaticContact CD2-CD2 3.78Å; Y314-W321 HydrophobicContact CD2-CD2 3.78Å; Y314-W321 AromaticContact CD2-CE2 3.39Å; Y314-W321 HydrophobicContact CD2-CE3 4.47Å; Y314-W321 HydrophobicContact CD2-CG 4.03Å; Y314-W321 HydrophobicContact CD2-CH2 4.47Å; Y314-W321 AromaticContact CD2-CZ2 3.77Å; Y314-W321 HydrophobicContact CD2-CZ2 3.77Å; Y314-W321 AromaticContact CD2-NE1 3.43Å; Y314-W321 AromaticContact CE2-NE1 3.84Å; Y314-W321 HydrophobicContact CG-CD2 4.28Å; Y314-W321 AromaticContact CG-CE2 3.95Å; Y314-W321 HydrophobicContact CG-CH2 4.22Å; Y314-W321 AromaticContact CG-CZ2 3.9Å; Y314-W321 HydrophobicContact CG-CZ2 3.9Å; W321-L556 HydrophobicContact CH2-CD2 3.84Å; W321-L556 HydrophobicContact CZ2-CD2 4.18Å; W321-V569 HydrophobicContact CZ2-CG2 3.9Å; W321-S583 PolarHBondContact NE1-O 2.87Å; W321-P584 PolarHBondContact NE1-O 3.24Å; W321-M585 HydrophobicContact CH2-CG 3.77Å; W321-M585 HydrophobicContact CH2-SD 4.46Å; W321-M585 HydrophobicContact CZ2-CB 4.4Å; W321-M585 HydrophobicContact CZ2-CG 3.66Å; W321-M585 HydrophobicContact CZ3-CG 4.44Å; W321-P586 HydrophobicContact CB-CG 3.62Å; W321-P586 HydrophobicContact CD2-CG 4.35Å; W321-P586 HydrophobicContact CE3-CG 4.42Å; W321-P586 HydrophobicContact CG-CG 4.03Å
322	K	92.4	Very high	85.9	Confident	75 Å²	75	54.4 Å²	54.4	33%	0.326	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.9	170.1	176.9	173.1	174.6	170.9	0	109.3	F312 C313 L324 W606	F312-K322 WeakPolarHBondContact CA-O 3.21Å; C313-K322 PolarHBondContact N-O 3.21Å; C313-K322 PolarHBondContact O-N 3.46Å; K322-L324 HydrophobicContact CD-CD2 4.4Å; K322-L324 HydrophobicContact CG-CD2 4.21Å; K322-W606 WeakPolarHBondContact CD-O 3.41Å; K322-W606 PolarHBondContact NZ-O 3.2Å
323	I	91.9	Very high	85.7	Confident	114 Å²	114	54.7 Å²	54.7	59%	0.585	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.9	173	-57.5	172.6	0	0	0	107.6	F312 P586	F312-I323 HydrophobicContact CD1-CB 4.38Å; F312-I323 HydrophobicContact CD1-CG1 4.02Å; F312-I323 HydrophobicContact CD1-CG2 4.28Å; F312-I323 HydrophobicContact CE1-CG1 4.13Å; F312-I323 HydrophobicContact CE1-CG2 4.25Å; I323-P586 HydrophobicContact CD1-CB 3.99Å; I323-P586 HydrophobicContact CG1-CB 3.92Å; I323-P586 HydrophobicContact CG1-CG 4Å
324	L	87.4	Confident	85.5	Confident	15 Å²	15	54.9 Å²	54.9	8%	0.079	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-87.8	127.8	176.6	-59.1	-178.3	0	0	0	108.3	F298 T311 C313 K322 W606	F298-L324 HydrophobicContact CD2-CD1 4.46Å; F298-L324 HydrophobicContact CE2-CD1 4.25Å; T311-L324 HydrophobicContact CG2-CB 4.19Å; T311-L324 HydrophobicContact CG2-CD1 3.99Å; T311-L324 PolarHBondContact O-N 3.4Å; C313-L324 HydrophobicContact CB-CD1 4.4Å; K322-L324 HydrophobicContact CD-CD2 4.4Å; K322-L324 HydrophobicContact CG-CD2 4.21Å; L324-W606 HydrophobicContact CD1-CD2 4.35Å; L324-W606 HydrophobicContact CD1-CH2 4.37Å; L324-W606 HydrophobicContact CD1-CZ2 3.68Å; L324-W606 HydrophobicContact CD2-CG 4.22Å
325	P	73.3	Confident	85.5	Confident	105 Å²	105	55.2 Å²	55.2	68%	0.682	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-57.4	147.3	178.3	23.9	-31.6	0	0	0	109.5	S327	P325-S327 VanDerWaalsContact C-N 3.29Å; P325-S327 PolarHBondContact O-N 3.16Å
326	Q	63.6	Low	85.6	Confident	132 Å²	132	55 Å²	55	62%	0.617	29%	0.286	S	S	*	.			trans	-37.4	89.6	-172.5	-82	180	-20	0	0	112	H328	Q326-H328 PolarHBondContact O-N 2.88Å
327	S	59.9	Low	85.8	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.014	28%	0.28	C	S	.	.			trans	-70.1	120.1	162.4	58.6	0	0	0	0	102.9	Q309 T311 P325 L329	Q309-S327 PolarHBondContact OE1-O 3.25Å; T311-S327 PolarHBondContact OG1-OG 2.94Å; P325-S327 VanDerWaalsContact C-N 3.29Å; P325-S327 PolarHBondContact O-N 3.16Å; S327-L329 PolarHBondContact O-N 2.97Å
328	H	68.9	Low	86.1	Confident	156 Å²	156	47.4 Å²	47.4	72%	0.722	25%	0.253	S	S	*	.			trans	-70	63.5	168.8	-68.9	-64.5	0	0	0	107.7	Q326 I330	Q326-H328 PolarHBondContact O-N 2.88Å; H328-I330 PolarHBondContact O-N 3.16Å
329	L	78.7	Confident	86.2	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	24%	0.236	C	C	.	.			trans	-66.4	129.1	-178.2	-152.6	106.9	0	0	0	105.9	F298 H300 Q309 S327 D331 L337 Y376 F383	F298-L329 HydrophobicContact CZ-CD1 4.07Å; H300-L329 HydrophobicContact CB-CD2 4.22Å; H300-L329 VanDerWaalsContact CD2-CD2 3.44Å; H300-L329 WeakPolarHBondContact CD2-CD2 3.42Å; H300-L329 WeakPolarHBondContact CE1-CB 3.42Å; Q309-L329 PolarHBondContact NE2-O 2.91Å; S327-L329 PolarHBondContact O-N 2.97Å; L329-D331 PolarHBondContact O-N 2.53Å; L329-L337 HydrophobicContact CD2-CD1 4.4Å; L329-Y376 HydrophobicContact CD1-CD1 4.06Å; L329-Y376 HydrophobicContact CD1-CE1 4.15Å; L329-Y376 HydrophobicContact CD1-CG 4.42Å; L329-F383 HydrophobicContact CB-CE2 4.2Å; L329-F383 HydrophobicContact CB-CZ 4.47Å; L329-F383 HydrophobicContact CD1-CE2 3.37Å; L329-F383 HydrophobicContact CD1-CZ 3.51Å; L329-F383 HydrophobicContact CD2-CZ 4.23Å; L329-F383 HydrophobicContact CG-CE2 3.5Å; L329-F383 VanDerWaalsContact CG-CE2 3.5Å; L329-F383 HydrophobicContact CG-CZ 3.41Å; L329-F383 VanDerWaalsContact CG-CZ 3.41Å
330	I	83.4	Confident	86.2	Confident	44 Å²	44	42.1 Å²	42.1	23%	0.226	22%	0.222	C	C	.	.			trans	-70.2	119.9	171.1	-63.4	171.4	0	0	0	106	H328 L332 L346 W374 F383	H328-I330 PolarHBondContact O-N 3.16Å; I330-L332 HydrophobicContact CG2-CD1 4.49Å; I330-L332 HydrophobicContact CG2-CD2 4.27Å; I330-L332 HydrophobicContact CG2-CG 3.98Å; I330-L346 HydrophobicContact CB-CD2 4.42Å; I330-L346 HydrophobicContact CG2-CD2 3.99Å; I330-L346 VanDerWaalsContact O-CD2 3.24Å; I330-L346 WeakPolarHBondContact O-CD2 3.48Å; I330-W374 HydrophobicContact CD1-CD2 3.46Å; I330-W374 VanDerWaalsContact CD1-CD2 3.46Å; I330-W374 HydrophobicContact CD1-CE3 3.36Å; I330-W374 HydrophobicContact CD1-CG 4.17Å; I330-W374 HydrophobicContact CD1-CH2 3.68Å; I330-W374 HydrophobicContact CD1-CZ2 3.79Å; I330-W374 HydrophobicContact CD1-CZ3 3.46Å; I330-W374 VanDerWaalsContact CD1-CZ3 3.46Å; I330-F383 HydrophobicContact CD1-CB 4.49Å; I330-F383 HydrophobicContact CD1-CD1 4.5Å
331	D	85.6	Confident	86.1	Confident	20 Å²	20	40.4 Å²	40.4	11%	0.107	21%	0.213	C	C	.	.			trans	-129.8	93.4	179	-177.2	-2.1	0	0	0	108.5	H300 T302 L329 R356 Y593	H300-D331 IonicContact CD2-OD2 2.76Å; H300-D331 IonicContact NE2-OD2 2.86Å; T302-D331 WeakPolarHBondContact CB-OD2 3.4Å; T302-D331 PolarHBondContact N-OD2 3.03Å; T302-D331 WeakPolarHBondContact OG1-CB 3.42Å; T302-D331 PolarHBondContact OG1-OD2 2.83Å; L329-D331 PolarHBondContact O-N 2.53Å; D331-R356 IonicContact OD1-CZ 3.53Å; D331-R356 IonicContact OD1-NE 3.13Å; D331-R356 PolarHBondContact OD1-NE 3.02Å; D331-R356 IonicContact OD1-NH2 3.92Å; D331-R356 PolarHBondContact OD1-NH2 3.33Å; D331-R356 IonicContact OD2-CZ 3.68Å; D331-R356 IonicContact OD2-NE 3.01Å; D331-R356 PolarHBondContact OD2-NE 3.13Å; D331-R356 IonicContact OD2-NH2 3.4Å; D331-Y593 WeakPolarHBondContact OD1-CE2 3.18Å
332	L	89.1	Confident	86	Confident	36 Å²	36	38.7 Å²	38.7	19%	0.188	21%	0.207	C	C	.	.			trans	-86.9	132.2	178.4	-59.7	178.1	0	0	0	109.4	I330 G334 S335 R356 T370	I330-L332 HydrophobicContact CG2-CD1 4.49Å; I330-L332 HydrophobicContact CG2-CD2 4.27Å; I330-L332 HydrophobicContact CG2-CG 3.98Å; L332-G334 PolarHBondContact O-N 2.94Å; L332-S335 VanDerWaalsContact O-CB 3.27Å; L332-S335 WeakPolarHBondContact O-CB 3.29Å; L332-S335 PolarHBondContact O-N 3.48Å; L332-S335 PolarHBondContact O-OG 3.14Å; L332-R356 PolarHBondContact O-NH2 3.45Å; L332-T370 HydrophobicContact CD1-CG2 3.82Å
333	P	89.5	Confident	86.1	Confident	11 Å²	11	36 Å²	36	7%	0.071	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	132.7	174.7	-24.7	31	0	0	0	111.9	S335 G349 C350 C354 R356 I362 T394	P333-S335 PolarHBondContact O-N 3.36Å; P333-G349 CarbonylContact O-C 3.53Å; P333-G349 VanDerWaalsContact O-CA 3.28Å; P333-G349 WeakPolarHBondContact O-CA 3.42Å; P333-C350 HydrophobicContact CB-CB 4.49Å; P333-C350 PolarHBondContact O-N 2.84Å; P333-C350 PolarHBondContact O-SG 2.86Å; P333-C354 HydrophobicContact CG-CB 4.18Å; P333-C354 VanDerWaalsContact CG-O 3.31Å; P333-C354 WeakPolarHBondContact CG-O 3.49Å; P333-R356 HydrophobicContact CB-CG 4.02Å; P333-R356 HydrophobicContact CG-CG 3.97Å; P333-I362 HydrophobicContact CB-CG1 3.78Å; P333-T394 PolarHBondContact O-OG1 3.08Å
334	G	89.8	Confident	86.2	Confident	6 Å²	6	30.6 Å²	30.6	6%	0.062	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	20.2	-178	0	0	0	0	0	115.3	L332 T394 M395	L332-G334 PolarHBondContact O-N 2.94Å; G334-T394 WeakPolarHBondContact CA-OG1 3.45Å; G334-T394 CarbonylContact O-C 3.53Å; G334-T394 WeakPolarHBondContact O-CA 3.39Å; G334-T394 PolarHBondContact O-OG1 2.76Å; G334-M395 PolarHBondContact O-N 2.89Å
335	S	94.1	Very high	86.6	Confident	10 Å²	10	30 Å²	30	7%	0.07	16%	0.164	C	C	.	.			trans	-79.6	169.4	165.4	57.3	0	0	0	0	110.9	L332 P333 L346 T347 G348 Y593	L332-S335 VanDerWaalsContact O-CB 3.27Å; L332-S335 WeakPolarHBondContact O-CB 3.29Å; L332-S335 PolarHBondContact O-N 3.48Å; L332-S335 PolarHBondContact O-OG 3.14Å; P333-S335 PolarHBondContact O-N 3.36Å; S335-L346 WeakPolarHBondContact OG-CD1 2.91Å; S335-T347 WeakPolarHBondContact CA-O 3.38Å; S335-T347 VanDerWaalsContact CB-O 3.3Å; S335-T347 WeakPolarHBondContact CB-O 3.48Å; S335-G348 VanDerWaalsContact CB-O 3.31Å; S335-G348 WeakPolarHBondContact CB-O 3.32Å; S335-Y593 PolarHBondContact O-OH 3.32Å; S335-Y593 PolarHBondContact OG-OH 3.17Å
336	S	95.3	Very high	87.7	Confident	14 Å²	14	25.1 Å²	25.1	10%	0.098	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.1	176.3	-176.4	0	0	0	0	110.6	L346 T347 S398	S336-L346 WeakPolarHBondContact O-CA 3.44Å; S336-T347 PolarHBondContact N-O 3.03Å; S336-T347 PolarHBondContact O-N 3.44Å; S336-T347 PolarHBondContact O-OG1 2.96Å; S336-S398 VanDerWaalsContact CB-OG 3.31Å; S336-S398 WeakPolarHBondContact CB-OG 3.3Å; S336-S398 WeakPolarHBondContact OG-CB 3.32Å; S336-S398 PolarHBondContact OG-N 2.98Å; S336-S398 PolarHBondContact OG-OG 3.19Å
337	L	94.9	Very high	89.3	Confident	4 Å²	4	18.8 Å²	18.8	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.9	-175	-163.5	153.6	0	0	0	109.6	F298 L329 I344 F345 L346 Y593 Q595	F298-L337 HydrophobicContact CE1-CD1 4.29Å; L329-L337 HydrophobicContact CD2-CD1 4.4Å; L337-I344 HydrophobicContact CD1-CG2 3.84Å; L337-I344 HydrophobicContact CD2-CB 4.49Å; L337-I344 HydrophobicContact CD2-CG1 4.39Å; L337-I344 HydrophobicContact CD2-CG2 3.39Å; L337-I344 HydrophobicContact CG-CG2 3.5Å; L337-F345 WeakPolarHBondContact CA-O 3.42Å; L337-L346 HydrophobicContact CB-CD1 4.42Å; L337-L346 HydrophobicContact CD1-CD1 4.42Å; L337-Y593 HydrophobicContact CB-CD1 3.87Å; L337-Y593 HydrophobicContact CB-CE1 4.22Å; L337-Y593 HydrophobicContact CB-CG 4.06Å; L337-Y593 HydrophobicContact CD1-CD2 3.96Å; L337-Y593 HydrophobicContact CD1-CG 3.98Å; L337-Q595 HydrophobicContact CD2-CB 3.94Å; L337-Q595 HydrophobicContact CD2-CG 3.39Å; L337-Q595 PolarHBondContact O-NE2 2.93Å
338	S	95.6	Very high	91	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.6	173.7	-57.4	0	0	0	0	110.4	F345 S398 L405	S338-F345 PolarHBondContact N-O 3.09Å; S338-F345 PolarHBondContact O-N 2.89Å; S338-S398 WeakPolarHBondContact OG-CB 3.11Å; S338-S398 PolarHBondContact OG-O 3.15Å; S338-S398 PolarHBondContact OG-OG 3.36Å; S338-L405 VanDerWaalsContact CB-CD1 3.44Å; S338-L405 WeakPolarHBondContact OG-CD1 3.36Å
339	S	94.7	Very high	92.2	Very high	25 Å²	25	11.3 Å²	11.3	18%	0.175	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	148.7	177.7	56.9	0	0	0	0	111.3	K343 M400 V596	S339-K343 CarbonylContact C-O 3.57Å; S339-K343 VanDerWaalsContact CA-O 3.31Å; S339-K343 WeakPolarHBondContact CA-O 3.06Å; S339-M400 WeakPolarHBondContact O-CG 3.46Å; S339-V596 WeakPolarHBondContact CB-O 3.36Å; S339-V596 PolarHBondContact OG-O 3.07Å
340	Y	94.1	Very high	92.8	Very high	13 Å²	13	11.2 Å²	11.2	5%	0.051	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	123.9	168.7	176.4	-109.1	0	0	0	110.3	L284 P286 E342 K343 M400 D403 P429	L284-Y340 HydrophobicContact CB-CE1 4.35Å; L284-Y340 HydrophobicContact CD2-CD1 4Å; L284-Y340 HydrophobicContact CD2-CE1 4.44Å; L284-Y340 WeakPolarHBondContact O-CE1 3.47Å; L284-Y340 VanDerWaalsContact O-CZ 3.29Å; L284-Y340 PolarHBondContact O-OH 3.1Å; P286-Y340 HydrophobicContact CB-CE2 4.15Å; P286-Y340 VanDerWaalsContact CD-OH 3.29Å; P286-Y340 WeakPolarHBondContact CD-OH 3.36Å; P286-Y340 HydrophobicContact CG-CE2 3.79Å; Y340-E342 PolarHBondContact O-N 3.36Å; Y340-K343 PolarHBondContact N-O 2.9Å; Y340-K343 PolarHBondContact O-N 3.17Å; Y340-K343 VanDerWaalsContact O-N 3.1Å; Y340-M400 HydrophobicContact CD2-CE 3.33Å; Y340-M400 HydrophobicContact CD2-SD 4.47Å; Y340-M400 HydrophobicContact CE2-CE 3.97Å; Y340-M400 HydrophobicContact CG-CE 3.67Å; Y340-M400 HydrophobicContact CG-SD 4.41Å; Y340-D403 HydrophobicContact CE2-CB 3.8Å; Y340-D403 WeakPolarHBondContact OH-CB 3.5Å; Y340-P429 HydrophobicContact CD1-CB 3.71Å; Y340-P429 HydrophobicContact CD1-CG 3.53Å; Y340-P429 HydrophobicContact CE1-CB 3.82Å; Y340-P429 HydrophobicContact CE1-CG 3.82Å; Y340-P429 HydrophobicContact CG-CG 4.19Å
341	G	91.8	Very high	93	Very high	17 Å²	17	13.9 Å²	13.9	18%	0.175	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-128.7	-165.1	0	0	0	0	0	110.8	K343 Q598	G341-K343 VanDerWaalsContact C-N 3.31Å; G341-K343 PolarHBondContact O-N 3.36Å; G341-Q598 CarbonylContact C-O 3.59Å
342	E	92.9	Very high	92.7	Very high	7 Å²	7	16.3 Å²	16.3	3%	0.033	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	15.3	-179.8	-49	-176.4	176.2	0	0	112.6	G283 Y340 P378 Q598 F599 N600 R603	G283-E342 WeakPolarHBondContact O-CB 3.37Å; G283-E342 PolarHBondContact O-N 3.19Å; Y340-E342 PolarHBondContact O-N 3.36Å; E342-P378 WeakPolarHBondContact O-CD 3.3Å; E342-Q598 WeakPolarHBondContact CA-O 3.45Å; E342-F599 HydrophobicContact CB-CD1 3.77Å; E342-F599 HydrophobicContact CB-CE1 3.91Å; E342-F599 HydrophobicContact CG-CD1 4.04Å; E342-N600 WeakPolarHBondContact OE1-CB 3.26Å; E342-N600 PolarHBondContact OE1-N 3.46Å; E342-N600 VanDerWaalsContact OE1-N 3.11Å; E342-R603 IonicContact OE1-CZ 3.4Å; E342-R603 VanDerWaalsContact OE1-CZ 3.28Å; E342-R603 IonicContact OE1-NE 2.63Å; E342-R603 PolarHBondContact OE1-NE 3.24Å; E342-R603 IonicContact OE1-NH2 3.83Å; E342-R603 PolarHBondContact OE1-NH2 2.77Å; E342-R603 IonicContact OE2-CZ 3.75Å; E342-R603 IonicContact OE2-NE 3.73Å; E342-R603 PolarHBondContact OE2-NE 3.26Å; E342-R603 IonicContact OE2-NH2 3.77Å
343	K	93.5	Very high	92	Very high	18 Å²	18	24.5 Å²	24.5	8%	0.078	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	157.1	-175.9	-51.4	-56.9	-178.4	-152.4	0	112	G282 L284 S339 Y340 G341 F345 Y376 C377	G282-K343 WeakPolarHBondContact O-CE 3.47Å; G282-K343 PolarHBondContact O-NZ 2.92Å; G282-K343 VanDerWaalsContact O-NZ 3.11Å; L284-K343 HydrophobicContact CD2-CB 4.14Å; L284-K343 HydrophobicContact CD2-CG 3.47Å; L284-K343 VanDerWaalsContact CD2-CG 3.47Å; L284-K343 HydrophobicContact CG-CG 4.13Å; S339-K343 CarbonylContact C-O 3.57Å; S339-K343 VanDerWaalsContact CA-O 3.31Å; S339-K343 WeakPolarHBondContact CA-O 3.06Å; Y340-K343 PolarHBondContact N-O 2.9Å; Y340-K343 PolarHBondContact O-N 3.17Å; Y340-K343 VanDerWaalsContact O-N 3.1Å; G341-K343 VanDerWaalsContact C-N 3.31Å; G341-K343 PolarHBondContact O-N 3.36Å; K343-F345 HydrophobicContact CB-CE2 3.9Å; K343-F345 HydrophobicContact CB-CZ 4.34Å; K343-Y376 WeakPolarHBondContact CA-O 3.16Å; K343-C377 HydrophobicContact CD-CB 4.06Å; K343-C377 PolarHBondContact NZ-SG 2.85Å
344	I	94.9	Very high	91.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.6	171.4	-74.2	159.1	0	0	0	109	F298 L337 C375 Y376 I597	F298-I344 HydrophobicContact CD1-CD1 3.74Å; F298-I344 HydrophobicContact CD2-CD1 4.09Å; F298-I344 HydrophobicContact CE1-CD1 3.84Å; F298-I344 HydrophobicContact CE2-CD1 4.15Å; F298-I344 HydrophobicContact CG-CD1 3.86Å; F298-I344 HydrophobicContact CZ-CD1 4.04Å; L337-I344 HydrophobicContact CD1-CG2 3.84Å; L337-I344 HydrophobicContact CD2-CB 4.49Å; L337-I344 HydrophobicContact CD2-CG1 4.39Å; L337-I344 HydrophobicContact CD2-CG2 3.39Å; L337-I344 HydrophobicContact CG-CG2 3.5Å; I344-C375 CarbonylContact O-C 3.52Å; I344-C375 WeakPolarHBondContact O-CA 3.25Å; I344-Y376 HydrophobicContact CB-CD1 4.39Å; I344-Y376 HydrophobicContact CD1-CD1 4.14Å; I344-Y376 PolarHBondContact N-O 2.72Å; I344-Y376 VanDerWaalsContact N-O 3.16Å; I344-Y376 PolarHBondContact O-N 3.04Å; I344-I597 HydrophobicContact CD1-CD1 3.86Å; I344-I597 HydrophobicContact CG1-CD1 3.94Å
345	F	96.2	Very high	91.2	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.013	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.9	177.3	-67.2	-89.4	0	0	0	110	L284 L337 S338 K343 T373 W374 C375 L405 Y427 P429	L284-F345 HydrophobicContact CD2-CE2 4.24Å; L284-F345 HydrophobicContact CD2-CZ 3.94Å; L337-F345 WeakPolarHBondContact CA-O 3.42Å; S338-F345 PolarHBondContact N-O 3.09Å; S338-F345 PolarHBondContact O-N 2.89Å; K343-F345 HydrophobicContact CB-CE2 3.9Å; K343-F345 HydrophobicContact CB-CZ 4.34Å; F345-T373 HydrophobicContact CD1-CG2 4.4Å; F345-W374 CarbonylContact C-O 3.45Å; F345-W374 VanDerWaalsContact CA-O 3.3Å; F345-W374 WeakPolarHBondContact CA-O 3.32Å; F345-C375 HydrophobicContact CD1-CB 4.03Å; F345-C375 HydrophobicContact CE1-CB 3.76Å; F345-C375 HydrophobicContact CZ-CB 4.44Å; F345-L405 HydrophobicContact CB-CD2 3.74Å; F345-L405 HydrophobicContact CG-CD2 4.2Å; F345-Y427 HydrophobicContact CD1-CE1 4.29Å; F345-Y427 AromaticContact CE1-CE1 3.81Å; F345-Y427 HydrophobicContact CE1-CE1 3.81Å; F345-Y427 HydrophobicContact CZ-CE1 4.45Å; F345-P429 HydrophobicContact CE2-CB 4.42Å; F345-P429 HydrophobicContact CE2-CG 4.36Å; F345-P429 HydrophobicContact CZ-CB 3.9Å; F345-P429 HydrophobicContact CZ-CG 4.19Å
346	L	96.3	Very high	90.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.7	169.7	-169.5	88.9	0	0	0	108.3	I330 S335 S336 L337 T373 W374 Y593	I330-L346 HydrophobicContact CB-CD2 4.42Å; I330-L346 HydrophobicContact CG2-CD2 3.99Å; I330-L346 VanDerWaalsContact O-CD2 3.24Å; I330-L346 WeakPolarHBondContact O-CD2 3.48Å; S335-L346 WeakPolarHBondContact OG-CD1 2.91Å; S336-L346 WeakPolarHBondContact O-CA 3.44Å; L337-L346 HydrophobicContact CB-CD1 4.42Å; L337-L346 HydrophobicContact CD1-CD1 4.42Å; L346-T373 CarbonylContact O-C 3.57Å; L346-T373 WeakPolarHBondContact O-CA 3.47Å; L346-W374 HydrophobicContact CB-CB 4.22Å; L346-W374 PolarHBondContact N-O 2.8Å; L346-W374 PolarHBondContact O-N 2.78Å; L346-Y593 HydrophobicContact CD1-CE2 4.38Å
347	T	97.1	Very high	90	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.1	-179	53.5	0	0	0	0	110.7	S335 S336 T373 H396 L405 V407 W434	S335-T347 WeakPolarHBondContact CA-O 3.38Å; S335-T347 VanDerWaalsContact CB-O 3.3Å; S335-T347 WeakPolarHBondContact CB-O 3.48Å; S336-T347 PolarHBondContact N-O 3.03Å; S336-T347 PolarHBondContact O-N 3.44Å; S336-T347 PolarHBondContact O-OG1 2.96Å; T347-T373 HydrophobicContact CG2-CG2 3.86Å; T347-H396 PolarHBondContact O-CE1 3.33Å; T347-H396 PolarHBondContact O-NE2 2.83Å; T347-H396 PolarHBondContact OG1-NE2 2.97Å; T347-L405 HydrophobicContact CG2-CD2 3.62Å; T347-V407 HydrophobicContact CG2-CG1 3.86Å; T347-W434 HydrophobicContact CG2-CH2 4.15Å; T347-W434 HydrophobicContact CG2-CZ2 4.32Å
348	G	95.8	Very high	89.1	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.01	18%	0.182	C	C	.	.			trans	62.9	-149	169.9	0	0	0	0	0	114.4	S335 T370 Q372 M389 R393	S335-G348 VanDerWaalsContact CB-O 3.31Å; S335-G348 WeakPolarHBondContact CB-O 3.32Å; G348-T370 VanDerWaalsContact C-CG2 3.44Å; G348-T370 WeakPolarHBondContact CA-O 3.47Å; G348-T370 WeakPolarHBondContact O-CG2 3.05Å; G348-Q372 PolarHBondContact N-O 2.92Å; G348-M389 VanDerWaalsContact CA-CE 3.49Å; G348-R393 CarbonylContact C-O 3.22Å; G348-R393 VanDerWaalsContact CA-O 3.25Å; G348-R393 WeakPolarHBondContact CA-O 3.31Å
349	G	93.9	Very high	88	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.			trans	104.6	-172.1	-173.6	0	0	0	0	0	113.1	P333 A369 T370 R393	P333-G349 CarbonylContact O-C 3.53Å; P333-G349 VanDerWaalsContact O-CA 3.28Å; P333-G349 WeakPolarHBondContact O-CA 3.42Å; G349-A369 CarbonylContact O-C 3.54Å; G349-A369 WeakPolarHBondContact O-CA 3.23Å; G349-T370 PolarHBondContact O-N 3.01Å; G349-R393 PolarHBondContact N-O 2.84Å
350	C	91.3	Very high	86.9	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.014	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-84.1	143.2	-178.3	-67.5	0	0	0	0	113.4	P333 C354 I362 H367	P333-C350 HydrophobicContact CB-CB 4.49Å; P333-C350 PolarHBondContact O-N 2.84Å; P333-C350 PolarHBondContact O-SG 2.86Å; C350-C354 HydrophobicContact CB-CB 3.76Å; C350-I362 WeakPolarHBondContact SG-CD1 3.23Å; C350-H367 PolarHBondContact SG-CD2 3.02Å
351	K	87	Confident	85.9	Confident	100 Å²	100	44 Å²	44	44%	0.435	24%	0.235	S	C	.	.	S	Bend	trans	-78.7	149	166.1	-72.6	177.8	172.1	153.5	0	110.6	D368 A369	K351-D368 HydrophobicContact CB-CB 4.39Å; K351-D368 WeakPolarHBondContact CB-O 3.4Å; K351-D368 HydrophobicContact CD-CB 4.24Å; K351-D368 PolarHBondContact N-O 2.94Å; K351-A369 VanDerWaalsContact CD-O 3.3Å; K351-A369 WeakPolarHBondContact CD-O 3.36Å; K351-A369 WeakPolarHBondContact CE-O 3.29Å; K351-A369 PolarHBondContact NZ-O 2.84Å; K351-A369 VanDerWaalsContact NZ-O 3.17Å
352	G	79.7	Confident	85.4	Confident	71 Å²	71	43.8 Å²	43.8	73%	0.732	23%	0.23	S	C	*	.	S	Bend	trans	76	-159.3	174.2	0	0	0	0	0	113.2	C354	G352-C354 PolarHBondContact O-N 2.88Å
353	K	74.2	Confident	84.7	Confident	208 Å²	208	45.9 Å²	45.9	90%	0.904	25%	0.248	S	C	*	.	S	Bend	trans	-93.7	67.3	-177.9	-63.4	-173.8	177.8	-170.8	0	110.3
354	C	82	Confident	84.2	Confident	22 Å²	22	47.9 Å²	47.9	15%	0.149	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-83.5	145.6	167.1	-60.7	0	0	0	0	108.9	P333 C350 G352 I362 E364	P333-C354 HydrophobicContact CG-CB 4.18Å; P333-C354 VanDerWaalsContact CG-O 3.31Å; P333-C354 WeakPolarHBondContact CG-O 3.49Å; C350-C354 HydrophobicContact CB-CB 3.76Å; G352-C354 PolarHBondContact O-N 2.88Å; C354-I362 HydrophobicContact CB-CG2 4.31Å; C354-E364 VanDerWaalsContact CA-OE2 3.27Å; C354-E364 WeakPolarHBondContact CA-OE2 3.35Å; C354-E364 WeakPolarHBondContact CB-OE2 3.47Å
355	C	80.8	Confident	83.4	Confident	57 Å²	57	52 Å²	52	39%	0.385	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-99.1	145.5	177.1	-68	0	0	0	0	111.1	I362 A363 E364	C355-I362 WeakPolarHBondContact O-CA 3.42Å; C355-A363 HydrophobicContact CB-CB 4.05Å; C355-A363 PolarHBondContact O-N 3.25Å; C355-E364 PolarHBondContact N-OE1 3.48Å; C355-E364 PolarHBondContact N-OE2 3.33Å
356	R	82.4	Confident	82.8	Confident	30 Å²	30	60.2 Å²	60.2	11%	0.113	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-71.5	151.7	166	-73.9	-176.7	165.2	-85.4	-6.5	109.7	E304 D331 L332 P333 Y593	E304-R356 WeakPolarHBondContact CG-O 3.23Å; D331-R356 IonicContact OD1-CZ 3.53Å; D331-R356 IonicContact OD1-NE 3.13Å; D331-R356 PolarHBondContact OD1-NE 3.02Å; D331-R356 IonicContact OD1-NH2 3.92Å; D331-R356 PolarHBondContact OD1-NH2 3.33Å; D331-R356 IonicContact OD2-CZ 3.68Å; D331-R356 IonicContact OD2-NE 3.01Å; D331-R356 PolarHBondContact OD2-NE 3.13Å; D331-R356 IonicContact OD2-NH2 3.4Å; L332-R356 PolarHBondContact O-NH2 3.45Å; P333-R356 HydrophobicContact CB-CG 4.02Å; P333-R356 HydrophobicContact CG-CG 3.97Å; R356-Y593 VanDerWaalsContact NH2-CZ 3.31Å; R356-Y593 PolarHBondContact NH2-OH 2.89Å
357	T	80.4	Confident	82.4	Confident	41 Å²	41	61.5 Å²	61.5	25%	0.252	32%	0.324	S	S	.	.			trans	-148.5	140.9	169.5	-171.5	0	0	0	0	109.2	R359 L360 H361 A363	T357-R359 PolarHBondContact O-N 3.02Å; T357-L360 HydrophobicContact CG2-CB 3.5Å; T357-L360 HydrophobicContact CG2-CD1 4Å; T357-L360 HydrophobicContact CG2-CG 4.11Å; T357-H361 WeakPolarHBondContact O-CA 3.44Å; T357-H361 PolarHBondContact O-N 3.11Å; T357-A363 HydrophobicContact CG2-CB 4.35Å
358	V	75.6	Confident	82.2	Confident	45 Å²	45	65.1 Å²	65.1	27%	0.273	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	136.3	-180	-164.6	0	0	0	0	109.4	E304 L360 T590 E591	E304-V358 WeakPolarHBondContact OE1-CG2 3.37Å; V358-L360 PolarHBondContact O-N 2.93Å; V358-T590 HydrophobicContact CG1-CG2 4.22Å; V358-T590 HydrophobicContact CG2-CG2 4.42Å; V358-E591 WeakPolarHBondContact CA-OE2 3.34Å
359	R	73.9	Confident	82.1	Confident	122 Å²	122	65.1 Å²	65.1	46%	0.46	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-29.5	176.6	-46.3	-177.6	175.3	177.9	-8.3	116.4	T357 D559 E591	T357-R359 PolarHBondContact O-N 3.02Å; R359-D559 IonicContact CZ-OD2 2.61Å; R359-D559 IonicContact NH2-OD2 3.19Å; R359-D559 PolarHBondContact NH2-OD2 2.92Å; R359-E591 PolarHBondContact N-OE2 2.73Å
360	L	70.2	Confident	82.2	Confident	119 Å²	119	65.4 Å²	65.4	62%	0.623	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-10.8	174	-47.5	165	0	0	0	112.4	T357 V358 I362	T357-L360 HydrophobicContact CG2-CB 3.5Å; T357-L360 HydrophobicContact CG2-CD1 4Å; T357-L360 HydrophobicContact CG2-CG 4.11Å; V358-L360 PolarHBondContact O-N 2.93Å; L360-I362 PolarHBondContact O-N 3.19Å
361	H	73.1	Confident	82.4	Confident	59 Å²	59	67.5 Å²	67.5	27%	0.273	36%	0.357	S	S	.	.	S	Bend	trans	62	-33.5	-175	-57.2	-66.7	0	0	0	115.8	T357 M395 E591	T357-H361 WeakPolarHBondContact O-CA 3.44Å; T357-H361 PolarHBondContact O-N 3.11Å; H361-M395 HydrophobicContact CB-CE 3.18Å; H361-M395 HydrophobicContact CB-SD 3.63Å; H361-E591 WeakPolarHBondContact CA-OE1 3.44Å; H361-E591 IonicContact CE1-OE1 3.14Å; H361-E591 IonicContact CG-OE1 2.79Å; H361-E591 VanDerWaalsContact ND1-CD 3.35Å; H361-E591 IonicContact ND1-OE1 2.67Å; H361-E591 PolarHBondContact ND1-OE1 3.37Å; H361-E591 IonicContact ND1-OE2 3.2Å
362	I	81.6	Confident	82.8	Confident	13 Å²	13	66 Å²	66	7%	0.067	35%	0.351	C	S	.	.			trans	-130.9	133.3	174.1	-61.7	158	0	0	0	109.5	P333 C350 C354 C355 L360 E364 H367 T394 M395	P333-I362 HydrophobicContact CB-CG1 3.78Å; C350-I362 WeakPolarHBondContact SG-CD1 3.23Å; C354-I362 HydrophobicContact CB-CG2 4.31Å; C355-I362 WeakPolarHBondContact O-CA 3.42Å; L360-I362 PolarHBondContact O-N 3.19Å; I362-E364 HydrophobicContact CG2-CB 4.35Å; I362-H367 VanDerWaalsContact CD1-CE1 3.43Å; I362-H367 WeakPolarHBondContact CD1-CE1 3.37Å; I362-H367 WeakPolarHBondContact CD1-NE2 3.38Å; I362-T394 HydrophobicContact CD1-CG2 4.4Å; I362-M395 HydrophobicContact CB-CE 4.2Å; I362-M395 HydrophobicContact CD1-CE 3.08Å; I362-M395 HydrophobicContact CD1-CG 4.4Å; I362-M395 HydrophobicContact CG1-CE 3.26Å
363	A	78.4	Confident	83.6	Confident	50 Å²	50	62.6 Å²	62.6	41%	0.413	32%	0.316	S	S	.	.	S	Bend	trans	-73.3	-39.1	178.6	0	0	0	0	0	112.7	C355 T357	C355-A363 HydrophobicContact CB-CB 4.05Å; C355-A363 PolarHBondContact O-N 3.25Å; T357-A363 HydrophobicContact CG2-CB 4.35Å
364	E	82.6	Confident	84.7	Confident	60 Å²	60	55 Å²	55	28%	0.28	28%	0.282	S	S	.	.			trans	-80.6	122.5	-175.8	-63.3	77.1	-171.8	0	0	112.5	C354 C355 I362 Y366 H367	C354-E364 VanDerWaalsContact CA-OE2 3.27Å; C354-E364 WeakPolarHBondContact CA-OE2 3.35Å; C354-E364 WeakPolarHBondContact CB-OE2 3.47Å; C355-E364 PolarHBondContact N-OE1 3.48Å; C355-E364 PolarHBondContact N-OE2 3.33Å; I362-E364 HydrophobicContact CG2-CB 4.35Å; E364-Y366 PolarHBondContact O-N 3.2Å; E364-H367 PolarHBondContact O-ND1 3.09Å
365	S	78.5	Confident	85.3	Confident	87 Å²	87	54.1 Å²	54.1	61%	0.608	28%	0.276	S	S	*	.	S	Bend	trans	-64.9	-23	175	-50.4	0	0	0	0	113.7	G414	S365-G414 CarbonylContact O-C 3.48Å; S365-G414 VanDerWaalsContact O-C 3.22Å; S365-G414 VanDerWaalsContact O-O 3.1Å
366	Y	84.6	Confident	85.8	Confident	176 Å²	176	51.7 Å²	51.7	69%	0.69	26%	0.258	S	S	*	.	S	Bend	trans	-123.3	115.9	178.5	-61.6	-77.5	0	0	0	110.5	E364 G414	E364-Y366 PolarHBondContact O-N 3.2Å; Y366-G414 WeakPolarHBondContact CA-O 3.44Å; Y366-G414 WeakPolarHBondContact CD1-O 3.27Å
367	H	87.6	Confident	86.2	Confident	28 Å²	28	50.4 Å²	50.4	13%	0.13	25%	0.254	C	S	.	.			trans	-151.5	152.6	-179.5	54.2	-96.1	0	0	0	110	C350 I362 E364 T394 R413 G414	C350-H367 PolarHBondContact SG-CD2 3.02Å; I362-H367 VanDerWaalsContact CD1-CE1 3.43Å; I362-H367 WeakPolarHBondContact CD1-CE1 3.37Å; I362-H367 WeakPolarHBondContact CD1-NE2 3.38Å; E364-H367 PolarHBondContact O-ND1 3.09Å; H367-T394 WeakPolarHBondContact NE2-CG2 3.34Å; H367-R413 CarbonylContact O-C 3.45Å; H367-R413 WeakPolarHBondContact O-CA 3.41Å; H367-R413 WeakPolarHBondContact O-CB 3.47Å; H367-G414 PolarHBondContact CD2-N 3.41Å; H367-G414 WeakPolarHBondContact CE1-CA 3.36Å; H367-G414 WeakPolarHBondContact NE2-CA 3.39Å; H367-G414 PolarHBondContact NE2-N 2.93Å; H367-G414 PolarHBondContact O-N 3.3Å
368	D	91.8	Very high	86.7	Confident	76 Å²	76	48.7 Å²	48.7	41%	0.406	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-98.9	139.7	172.7	-76.9	-55.2	0	0	0	109.9	K351 R413	K351-D368 HydrophobicContact CB-CB 4.39Å; K351-D368 WeakPolarHBondContact CB-O 3.4Å; K351-D368 HydrophobicContact CD-CB 4.24Å; K351-D368 PolarHBondContact N-O 2.94Å; D368-R413 WeakPolarHBondContact OD1-CD 3.39Å; D368-R413 VanDerWaalsContact OD1-CG 3.32Å; D368-R413 WeakPolarHBondContact OD1-CG 3.45Å; D368-R413 IonicContact OD1-CZ 3.62Å; D368-R413 IonicContact OD1-NE 2.58Å; D368-R413 PolarHBondContact OD1-NE 2.72Å; D368-R413 IonicContact OD1-NH2 3.77Å
369	A	94.2	Very high	87.2	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.017	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-79.9	158.2	174.8	0	0	0	0	0	112.9	G349 K351 P392 T394 K411 T412	G349-A369 CarbonylContact O-C 3.54Å; G349-A369 WeakPolarHBondContact O-CA 3.23Å; K351-A369 VanDerWaalsContact CD-O 3.3Å; K351-A369 WeakPolarHBondContact CD-O 3.36Å; K351-A369 WeakPolarHBondContact CE-O 3.29Å; K351-A369 PolarHBondContact NZ-O 2.84Å; K351-A369 VanDerWaalsContact NZ-O 3.17Å; A369-P392 HydrophobicContact CB-CB 4.09Å; A369-P392 WeakPolarHBondContact O-CB 3.43Å; A369-T394 HydrophobicContact CB-CG2 4.17Å; A369-K411 WeakPolarHBondContact CB-O 3.2Å; A369-T412 WeakPolarHBondContact CB-O 2.86Å; A369-T412 PolarHBondContact N-O 3Å
370	T	95.4	Very high	87.8	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.031	26%	0.261	C	S	.	.			trans	-105.9	150.3	171.2	-162.9	0	0	0	0	112.3	L332 G348 G349 Q372 P392 R393	L332-T370 HydrophobicContact CD1-CG2 3.82Å; G348-T370 VanDerWaalsContact C-CG2 3.44Å; G348-T370 WeakPolarHBondContact CA-O 3.47Å; G348-T370 WeakPolarHBondContact O-CG2 3.05Å; G349-T370 PolarHBondContact O-N 3.01Å; T370-Q372 HydrophobicContact CG2-CB 4.22Å; T370-Q372 WeakPolarHBondContact OG1-CG 3.49Å; T370-Q372 PolarHBondContact OG1-N 2.82Å; T370-P392 WeakPolarHBondContact O-CA 3.43Å; T370-R393 PolarHBondContact O-N 3.32Å
371	D	96.4	Very high	88.5	Confident	47 Å²	47	50.2 Å²	50.2	25%	0.251	25%	0.254	S	S	.	.			trans	-96.8	-2.9	172.3	53	-4.3	0	0	0	112.3	T388 M389 P392	D371-T388 WeakPolarHBondContact O-CA 3.19Å; D371-M389 HydrophobicContact CB-CB 4.35Å; D371-M389 PolarHBondContact O-N 3.17Å; D371-P392 HydrophobicContact CB-CB 4.22Å; D371-P392 HydrophobicContact CB-CG 3.98Å
372	Q	96.3	Very high	89.2	Confident	67 Å²	67	51.6 Å²	51.6	31%	0.313	26%	0.264	S	S	.	.			trans	-61.5	141.6	-179.1	-70.1	-179.5	-14.5	0	0	111.7	G348 T370 L385	G348-Q372 PolarHBondContact N-O 2.92Å; T370-Q372 HydrophobicContact CG2-CB 4.22Å; T370-Q372 WeakPolarHBondContact OG1-CG 3.49Å; T370-Q372 PolarHBondContact OG1-N 2.82Å; Q372-L385 HydrophobicContact CB-CD1 3.84Å; Q372-L385 HydrophobicContact CG-CD1 3.91Å
373	T	96.4	Very high	89.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.3	169.5	-59.1	0	0	0	0	108.1	F345 L346 T347 L385 V386 W434	F345-T373 HydrophobicContact CD1-CG2 4.4Å; L346-T373 CarbonylContact O-C 3.57Å; L346-T373 WeakPolarHBondContact O-CA 3.47Å; T347-T373 HydrophobicContact CG2-CG2 3.86Å; T373-L385 WeakPolarHBondContact O-CD1 3.39Å; T373-V386 HydrophobicContact CG2-CG2 3.46Å; T373-V386 VanDerWaalsContact CG2-CG2 3.46Å; T373-V386 WeakPolarHBondContact O-CG2 3.21Å; T373-V386 PolarHBondContact O-N 2.55Å; T373-W434 HydrophobicContact CG2-CZ2 4.09Å; T373-W434 WeakPolarHBondContact OG1-CZ2 3.4Å
374	W	95.4	Very high	90.1	Very high	50 Å²	50	54.4 Å²	54.4	19%	0.189	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.3	-178.5	-64.9	89.8	0	0	0	109.8	I330 F345 L346 F383 L385	I330-W374 HydrophobicContact CD1-CD2 3.46Å; I330-W374 VanDerWaalsContact CD1-CD2 3.46Å; I330-W374 HydrophobicContact CD1-CE3 3.36Å; I330-W374 HydrophobicContact CD1-CG 4.17Å; I330-W374 HydrophobicContact CD1-CH2 3.68Å; I330-W374 HydrophobicContact CD1-CZ2 3.79Å; I330-W374 HydrophobicContact CD1-CZ3 3.46Å; I330-W374 VanDerWaalsContact CD1-CZ3 3.46Å; F345-W374 CarbonylContact C-O 3.45Å; F345-W374 VanDerWaalsContact CA-O 3.3Å; F345-W374 WeakPolarHBondContact CA-O 3.32Å; L346-W374 HydrophobicContact CB-CB 4.22Å; L346-W374 PolarHBondContact N-O 2.8Å; L346-W374 PolarHBondContact O-N 2.78Å; W374-F383 HydrophobicContact CB-CD1 3.96Å; W374-F383 HydrophobicContact CB-CE1 4.15Å; W374-L385 HydrophobicContact CD2-CD1 4.06Å; W374-L385 HydrophobicContact CE3-CB 4.3Å; W374-L385 HydrophobicContact CE3-CD1 4.48Å; W374-L385 HydrophobicContact CG-CD1 4.49Å; W374-L385 HydrophobicContact CZ2-CD1 4.1Å; W374-L385 HydrophobicContact CZ3-CB 4.22Å
375	C	94.5	Very high	90.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.9	173.9	-178.4	0	0	0	0	109.1	I344 F345 F383 F384 V386	I344-C375 CarbonylContact O-C 3.52Å; I344-C375 WeakPolarHBondContact O-CA 3.25Å; F345-C375 HydrophobicContact CD1-CB 4.03Å; F345-C375 HydrophobicContact CE1-CB 3.76Å; F345-C375 HydrophobicContact CZ-CB 4.44Å; C375-F383 WeakPolarHBondContact O-CA 3.32Å; C375-F384 HydrophobicContact CB-CD2 4.14Å; C375-F384 HydrophobicContact CB-CE1 4.27Å; C375-F384 HydrophobicContact CB-CE2 3.64Å; C375-F384 HydrophobicContact CB-CZ 3.72Å; C375-F384 PolarHBondContact N-O 3.31Å; C375-F384 PolarHBondContact O-N 3.39Å; C375-F384 VanDerWaalsContact SG-CZ 3.51Å; C375-V386 HydrophobicContact CB-CG1 3.65Å
376	Y	92.6	Very high	91.5	Very high	6 Å²	6	52.4 Å²	52.4	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.8	170.3	-172.2	-142.2	0	0	0	110.1	L329 K343 I344 P378 N381 D382 F383	L329-Y376 HydrophobicContact CD1-CD1 4.06Å; L329-Y376 HydrophobicContact CD1-CE1 4.15Å; L329-Y376 HydrophobicContact CD1-CG 4.42Å; K343-Y376 WeakPolarHBondContact CA-O 3.16Å; I344-Y376 HydrophobicContact CB-CD1 4.39Å; I344-Y376 HydrophobicContact CD1-CD1 4.14Å; I344-Y376 PolarHBondContact N-O 2.72Å; I344-Y376 VanDerWaalsContact N-O 3.16Å; I344-Y376 PolarHBondContact O-N 3.04Å; Y376-P378 HydrophobicContact CD1-CG 3.76Å; Y376-P378 HydrophobicContact CE1-CB 4.11Å; Y376-P378 HydrophobicContact CE1-CG 3.67Å; Y376-P378 WeakPolarHBondContact O-CD 3.02Å; Y376-N381 PolarHBondContact OH-OD1 2.78Å; Y376-D382 WeakPolarHBondContact CD2-O 3.48Å; Y376-F383 HydrophobicContact CD1-CE2 4.07Å; Y376-F383 HydrophobicContact CD1-CZ 4.32Å; Y376-F383 AromaticContact CD2-CD2 3.22Å; Y376-F383 HydrophobicContact CD2-CD2 3.22Å; Y376-F383 AromaticContact CD2-CE2 3.07Å; Y376-F383 HydrophobicContact CD2-CE2 3.07Å; Y376-F383 HydrophobicContact CD2-CG 4.05Å; Y376-F383 AromaticContact CD2-CZ 3.85Å; Y376-F383 HydrophobicContact CD2-CZ 3.85Å; Y376-F383 AromaticContact CE2-CD2 3.89Å; Y376-F383 HydrophobicContact CE2-CD2 3.89Å; Y376-F383 AromaticContact CE2-CE2 3.76Å; Y376-F383 HydrophobicContact CE2-CE2 3.76Å; Y376-F383 AromaticContact CG-CD2 3.86Å; Y376-F383 HydrophobicContact CG-CD2 3.86Å; Y376-F383 HydrophobicContact CG-CE1 4.32Å; Y376-F383 AromaticContact CG-CE2 3.27Å; Y376-F383 HydrophobicContact CG-CE2 3.27Å; Y376-F383 AromaticContact CG-CZ 3.57Å; Y376-F383 HydrophobicContact CG-CZ 3.57Å
377	C	91.1	Very high	92	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	95.7	169.2	180	0	0	0	0	109.6	K343 V379 K380 N381 D382 F384	K343-C377 HydrophobicContact CD-CB 4.06Å; K343-C377 PolarHBondContact NZ-SG 2.85Å; C377-V379 PolarHBondContact O-N 2.8Å; C377-K380 HydrophobicContact CB-CB 4.36Å; C377-K380 CarbonylContact O-C 3.55Å; C377-K380 PolarHBondContact O-N 2.6Å; C377-N381 WeakPolarHBondContact O-CA 3.35Å; C377-N381 PolarHBondContact O-N 2.58Å; C377-D382 PolarHBondContact N-O 2.91Å; C377-D382 PolarHBondContact O-N 2.67Å; C377-F384 HydrophobicContact CB-CE1 4.23Å
378	P	89.6	Confident	92.5	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.039	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-38.5	178.9	-29.2	35.7	0	0	0	114	E342 Y376 K380 N381 I597 F599 P605 W606	E342-P378 WeakPolarHBondContact O-CD 3.3Å; Y376-P378 HydrophobicContact CD1-CG 3.76Å; Y376-P378 HydrophobicContact CE1-CB 4.11Å; Y376-P378 HydrophobicContact CE1-CG 3.67Å; Y376-P378 WeakPolarHBondContact O-CD 3.02Å; P378-K380 VanDerWaalsContact C-N 3.28Å; P378-K380 PolarHBondContact O-N 2.78Å; P378-N381 PolarHBondContact O-N 3.43Å; P378-N381 VanDerWaalsContact O-N 3.12Å; P378-I597 HydrophobicContact CG-CD1 3.89Å; P378-F599 HydrophobicContact CB-CE1 3.93Å; P378-F599 HydrophobicContact CB-CZ 3.61Å; P378-F599 HydrophobicContact CG-CE1 4.18Å; P378-F599 HydrophobicContact CG-CZ 3.77Å; P378-P605 HydrophobicContact CB-CG 4.1Å; P378-W606 HydrophobicContact CB-CZ2 3.75Å; P378-W606 HydrophobicContact CG-CZ2 4.09Å
379	V	87	Confident	92.8	Very high	63 Å²	63	44.8 Å²	44.8	38%	0.382	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-37	179.3	-175.4	0	0	0	0	112.5	C377 F599 R603 P605	C377-V379 PolarHBondContact O-N 2.8Å; V379-F599 HydrophobicContact CG2-CD1 4.34Å; V379-F599 HydrophobicContact CG2-CE1 4.14Å; V379-R603 HydrophobicContact CG2-CB 4.48Å; V379-R603 WeakPolarHBondContact CG2-O 3.47Å; V379-P605 HydrophobicContact CG2-CG 4.31Å
380	K	85.8	Confident	92.9	Very high	164 Å²	164	50.3 Å²	50.3	71%	0.713	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.1	179.2	-65.4	-177.6	-179.7	-178.1	0	112.2	C377 P378 D382	C377-K380 HydrophobicContact CB-CB 4.36Å; C377-K380 CarbonylContact O-C 3.55Å; C377-K380 PolarHBondContact O-N 2.6Å; P378-K380 VanDerWaalsContact C-N 3.28Å; P378-K380 PolarHBondContact O-N 2.78Å; K380-D382 HydrophobicContact CB-CB 4.16Å; K380-D382 PolarHBondContact O-N 3.09Å
381	N	86.4	Confident	92.9	Very high	90 Å²	90	51.6 Å²	51.6	48%	0.481	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	47.8	-166.5	-166.8	35.7	0	0	0	112.9	Y376 C377 P378	Y376-N381 PolarHBondContact OH-OD1 2.78Å; C377-N381 WeakPolarHBondContact O-CA 3.35Å; C377-N381 PolarHBondContact O-N 2.58Å; P378-N381 PolarHBondContact O-N 3.43Å; P378-N381 VanDerWaalsContact O-N 3.12Å
382	D	87.2	Confident	92.9	Very high	89 Å²	89	51 Å²	51	48%	0.476	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.7	-173.7	-169.1	24.2	0	0	0	112.3	Y376 C377 K380	Y376-D382 WeakPolarHBondContact CD2-O 3.48Å; C377-D382 PolarHBondContact N-O 2.91Å; C377-D382 PolarHBondContact O-N 2.67Å; K380-D382 HydrophobicContact CB-CB 4.16Å; K380-D382 PolarHBondContact O-N 3.09Å
383	F	88.6	Confident	92.8	Very high	31 Å²	31	47.8 Å²	47.8	14%	0.136	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.8	179.3	-101.2	-85.7	0	0	0	110.2	L329 I330 W374 C375 Y376	L329-F383 HydrophobicContact CB-CE2 4.2Å; L329-F383 HydrophobicContact CB-CZ 4.47Å; L329-F383 HydrophobicContact CD1-CE2 3.37Å; L329-F383 HydrophobicContact CD1-CZ 3.51Å; L329-F383 HydrophobicContact CD2-CZ 4.23Å; L329-F383 HydrophobicContact CG-CE2 3.5Å; L329-F383 VanDerWaalsContact CG-CE2 3.5Å; L329-F383 HydrophobicContact CG-CZ 3.41Å; L329-F383 VanDerWaalsContact CG-CZ 3.41Å; I330-F383 HydrophobicContact CD1-CB 4.49Å; I330-F383 HydrophobicContact CD1-CD1 4.5Å; W374-F383 HydrophobicContact CB-CD1 3.96Å; W374-F383 HydrophobicContact CB-CE1 4.15Å; C375-F383 WeakPolarHBondContact O-CA 3.32Å; Y376-F383 HydrophobicContact CD1-CE2 4.07Å; Y376-F383 HydrophobicContact CD1-CZ 4.32Å; Y376-F383 AromaticContact CD2-CD2 3.22Å; Y376-F383 HydrophobicContact CD2-CD2 3.22Å; Y376-F383 AromaticContact CD2-CE2 3.07Å; Y376-F383 HydrophobicContact CD2-CE2 3.07Å; Y376-F383 HydrophobicContact CD2-CG 4.05Å; Y376-F383 AromaticContact CD2-CZ 3.85Å; Y376-F383 HydrophobicContact CD2-CZ 3.85Å; Y376-F383 AromaticContact CE2-CD2 3.89Å; Y376-F383 HydrophobicContact CE2-CD2 3.89Å; Y376-F383 AromaticContact CE2-CE2 3.76Å; Y376-F383 HydrophobicContact CE2-CE2 3.76Å; Y376-F383 AromaticContact CG-CD2 3.86Å; Y376-F383 HydrophobicContact CG-CD2 3.86Å; Y376-F383 HydrophobicContact CG-CE1 4.32Å; Y376-F383 AromaticContact CG-CE2 3.27Å; Y376-F383 HydrophobicContact CG-CE2 3.27Å; Y376-F383 AromaticContact CG-CZ 3.57Å; Y376-F383 HydrophobicContact CG-CZ 3.57Å
384	F	90.9	Very high	92.7	Very high	90 Å²	90	47.8 Å²	47.8	40%	0.395	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.5	176.7	55.1	-86.6	0	0	0	111.5	C375 C377 V386	C375-F384 HydrophobicContact CB-CD2 4.14Å; C375-F384 HydrophobicContact CB-CE1 4.27Å; C375-F384 HydrophobicContact CB-CE2 3.64Å; C375-F384 HydrophobicContact CB-CZ 3.72Å; C375-F384 PolarHBondContact N-O 3.31Å; C375-F384 PolarHBondContact O-N 3.39Å; C375-F384 VanDerWaalsContact SG-CZ 3.51Å; C377-F384 HydrophobicContact CB-CE1 4.23Å; F384-V386 HydrophobicContact CD2-CG1 3.87Å; F384-V386 HydrophobicContact CE2-CG1 3.69Å
385	L	93.9	Very high	92.5	Very high	84 Å²	84	47.6 Å²	47.6	44%	0.44	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.5	174.8	-169.2	73.6	0	0	0	109	Q372 T373 W374	Q372-L385 HydrophobicContact CB-CD1 3.84Å; Q372-L385 HydrophobicContact CG-CD1 3.91Å; T373-L385 WeakPolarHBondContact O-CD1 3.39Å; W374-L385 HydrophobicContact CD2-CD1 4.06Å; W374-L385 HydrophobicContact CE3-CB 4.3Å; W374-L385 HydrophobicContact CE3-CD1 4.48Å; W374-L385 HydrophobicContact CG-CD1 4.49Å; W374-L385 HydrophobicContact CZ2-CD1 4.1Å; W374-L385 HydrophobicContact CZ3-CB 4.22Å
386	V	95.1	Very high	92.5	Very high	22 Å²	22	48 Å²	48	13%	0.133	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-178	169.5	-60.5	0	0	0	0	109.8	T373 C375 F384 T388 Y427	T373-V386 HydrophobicContact CG2-CG2 3.46Å; T373-V386 VanDerWaalsContact CG2-CG2 3.46Å; T373-V386 WeakPolarHBondContact O-CG2 3.21Å; T373-V386 PolarHBondContact O-N 2.55Å; C375-V386 HydrophobicContact CB-CG1 3.65Å; F384-V386 HydrophobicContact CD2-CG1 3.87Å; F384-V386 HydrophobicContact CE2-CG1 3.69Å; V386-T388 PolarHBondContact O-N 3.25Å; V386-Y427 HydrophobicContact CG2-CE1 4.38Å
387	S	96.4	Very high	92.7	Very high	52 Å²	52	48.3 Å²	48.3	36%	0.364	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-48.2	132.5	177.4	-56.8	0	0	0	0	110.8	K432 W434	S387-K432 VanDerWaalsContact CB-O 3.26Å; S387-K432 WeakPolarHBondContact CB-O 3.46Å; S387-K432 PolarHBondContact OG-O 2.85Å; S387-W434 PolarHBondContact O-NE1 2.95Å
388	T	97.2	Very high	93	Very high	65 Å²	65	48.5 Å²	48.5	40%	0.399	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-75.1	149.7	-178.4	57.5	0	0	0	0	110.6	D371 V386 W434	D371-T388 WeakPolarHBondContact O-CA 3.19Å; V386-T388 PolarHBondContact O-N 3.25Å; T388-W434 VanDerWaalsContact C-CD1 3.49Å
389	M	97.4	Very high	93.4	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-58.4	158	168.3	-65.1	178.5	-64.5	0	0	110	G348 D371 R393 V407 W434	G348-M389 VanDerWaalsContact CA-CE 3.49Å; D371-M389 HydrophobicContact CB-CB 4.35Å; D371-M389 PolarHBondContact O-N 3.17Å; M389-R393 HydrophobicContact CE-CG 3.62Å; M389-R393 HydrophobicContact SD-CG 3.82Å; M389-V407 HydrophobicContact SD-CB 4.34Å; M389-V407 HydrophobicContact SD-CG1 4.01Å; M389-V407 HydrophobicContact SD-CG2 3.94Å; M389-W434 HydrophobicContact CG-CD2 4.06Å; M389-W434 HydrophobicContact CG-CE3 4.24Å; M389-W434 HydrophobicContact CG-CH2 3.66Å; M389-W434 HydrophobicContact CG-CZ2 3.43Å; M389-W434 VanDerWaalsContact CG-CZ2 3.43Å; M389-W434 HydrophobicContact CG-CZ3 4.06Å; M389-W434 HydrophobicContact SD-CH2 4.15Å; M389-W434 HydrophobicContact SD-CZ2 4.35Å
390	K	96.6	Very high	93.8	Very high	118 Å²	118	47.7 Å²	47.7	51%	0.513	25%	0.246	S	C	.	.	S	Bend	trans	-74.8	-36.1	175.1	-58.9	179.8	-178.9	-178.4	0	111.3	E425 W434 S436	K390-E425 WeakPolarHBondContact CB-OE2 3.37Å; K390-E425 PolarHBondContact N-OE2 2.96Å; K390-W434 WeakPolarHBondContact CE-O 3.29Å; K390-S436 WeakPolarHBondContact CD-OG 3.16Å; K390-S436 PolarHBondContact NZ-OG 2.92Å
391	T	96.3	Very high	94.3	Very high	32 Å²	32	40.1 Å²	40.1	20%	0.196	21%	0.214	C	C	.	.	S	Bend	trans	-117.4	124	179.7	-47.4	0	0	0	0	110.7	R393 T412 L421 E425	T391-R393 PolarHBondContact O-N 3.39Å; T391-T412 HydrophobicContact CG2-CG2 3.86Å; T391-L421 HydrophobicContact CG2-CD1 4.01Å; T391-L421 HydrophobicContact CG2-CD2 4.28Å; T391-E425 VanDerWaalsContact CB-OE1 3.25Å; T391-E425 WeakPolarHBondContact CB-OE1 3.36Å; T391-E425 PolarHBondContact N-OE1 2.81Å; T391-E425 PolarHBondContact OG1-OE1 3.11Å
392	P	95.9	Very high	94.6	Very high	34 Å²	34	39.8 Å²	39.8	22%	0.221	21%	0.211	C	C	.	.			trans	-60.2	134.2	171.8	-19.9	29.7	0	0	0	111.6	A369 T370 D371 T412	A369-P392 HydrophobicContact CB-CB 4.09Å; A369-P392 WeakPolarHBondContact O-CB 3.43Å; T370-P392 WeakPolarHBondContact O-CA 3.43Å; D371-P392 HydrophobicContact CB-CB 4.22Å; D371-P392 HydrophobicContact CB-CG 3.98Å; P392-T412 VanDerWaalsContact O-CG2 3.26Å; P392-T412 WeakPolarHBondContact O-CG2 3.33Å
393	R	94.7	Very high	94.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.			trans	-146.3	146.3	-177.1	59.2	-178.8	76.1	-133.7	6.6	113.6	G348 G349 T370 M389 T391 H396 G409 K411 L421 D423 E425	G348-R393 CarbonylContact C-O 3.22Å; G348-R393 VanDerWaalsContact CA-O 3.25Å; G348-R393 WeakPolarHBondContact CA-O 3.31Å; G349-R393 PolarHBondContact N-O 2.84Å; T370-R393 PolarHBondContact O-N 3.32Å; M389-R393 HydrophobicContact CE-CG 3.62Å; M389-R393 HydrophobicContact SD-CG 3.82Å; T391-R393 PolarHBondContact O-N 3.39Å; R393-H396 HydrophobicContact CB-CB 4.46Å; R393-H396 VanDerWaalsContact CD-CG 3.47Å; R393-H396 HydrophobicContact CG-CB 4.32Å; R393-G409 PolarHBondContact NH1-O 2.88Å; R393-G409 VanDerWaalsContact NH1-O 3.07Å; R393-K411 CarbonylContact C-O 3.56Å; R393-K411 WeakPolarHBondContact CA-O 3.06Å; R393-L421 HydrophobicContact CB-CD1 4.01Å; R393-D423 PolarHBondContact NH1-O 2.74Å; R393-D423 PolarHBondContact NH2-O 3.2Å; R393-D423 VanDerWaalsContact NH2-O 3.16Å; R393-E425 IonicContact CZ-OE1 2.74Å; R393-E425 IonicContact NH2-OE1 2.83Å; R393-E425 PolarHBondContact NH2-OE1 3.4Å
394	T	93.9	Very high	95.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-138.2	159.1	169	-169.2	0	0	0	0	109.4	P333 G334 I362 H367 A369 H396 G410 K411	P333-T394 PolarHBondContact O-OG1 3.08Å; G334-T394 WeakPolarHBondContact CA-OG1 3.45Å; G334-T394 CarbonylContact O-C 3.53Å; G334-T394 WeakPolarHBondContact O-CA 3.39Å; G334-T394 PolarHBondContact O-OG1 2.76Å; I362-T394 HydrophobicContact CD1-CG2 4.4Å; H367-T394 WeakPolarHBondContact NE2-CG2 3.34Å; A369-T394 HydrophobicContact CB-CG2 4.17Å; T394-H396 PolarHBondContact O-N 2.84Å; T394-G410 CarbonylContact O-C 3.6Å; T394-G410 WeakPolarHBondContact O-CA 3.33Å; T394-K411 PolarHBondContact N-O 3.31Å; T394-K411 PolarHBondContact O-N 2.94Å
395	M	91.6	Very high	95.5	Very high	45 Å²	45	37.1 Å²	37.1	22%	0.222	20%	0.198	C	C	.	.	S	Bend	trans	57.1	27.6	-172.7	-60	-61.6	149.4	0	0	113.2	G334 H361 I362 G410 P447	G334-M395 PolarHBondContact O-N 2.89Å; H361-M395 HydrophobicContact CB-CE 3.18Å; H361-M395 HydrophobicContact CB-SD 3.63Å; I362-M395 HydrophobicContact CB-CE 4.2Å; I362-M395 HydrophobicContact CD1-CE 3.08Å; I362-M395 HydrophobicContact CD1-CG 4.4Å; I362-M395 HydrophobicContact CG1-CE 3.26Å; M395-G410 WeakPolarHBondContact O-CA 3.31Å; M395-P447 WeakPolarHBondContact O-CD 3.26Å
396	H	95.3	Very high	95.8	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.046	18%	0.177	C	C	.	.			trans	-92.9	166.5	169.9	65.3	-71.2	0	0	0	109.7	T347 R393 T394 I408 G409	T347-H396 PolarHBondContact O-CE1 3.33Å; T347-H396 PolarHBondContact O-NE2 2.83Å; T347-H396 PolarHBondContact OG1-NE2 2.97Å; R393-H396 HydrophobicContact CB-CB 4.46Å; R393-H396 VanDerWaalsContact CD-CG 3.47Å; R393-H396 HydrophobicContact CG-CB 4.32Å; T394-H396 PolarHBondContact O-N 2.84Å; H396-I408 WeakPolarHBondContact CB-O 3.35Å; H396-G409 WeakPolarHBondContact CB-O 3.3Å
397	T	96.2	Very high	95.9	Very high	14 Å²	14	32.2 Å²	32.2	9%	0.086	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	154.2	168	-169.8	0	0	0	0	109.9	V407 I408 P447 A449	T397-V407 WeakPolarHBondContact O-CA 3.37Å; T397-I408 HydrophobicContact CG2-CB 3.95Å; T397-I408 PolarHBondContact N-O 3.36Å; T397-I408 VanDerWaalsContact N-O 3.08Å; T397-I408 PolarHBondContact O-N 3.1Å; T397-P447 VanDerWaalsContact CB-O 3.3Å; T397-P447 WeakPolarHBondContact CB-O 3.25Å; T397-P447 HydrophobicContact CG2-CB 3.74Å; T397-P447 HydrophobicContact CG2-CG 4.09Å; T397-A449 HydrophobicContact CG2-CB 3.48Å; T397-A449 VanDerWaalsContact CG2-CB 3.48Å
398	S	97.3	Very high	96	Very high	6 Å²	6	29.8 Å²	29.8	4%	0.042	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.7	173.3	68.3	0	0	0	0	111.2	S336 S338 F406	S336-S398 VanDerWaalsContact CB-OG 3.31Å; S336-S398 WeakPolarHBondContact CB-OG 3.3Å; S336-S398 WeakPolarHBondContact OG-CB 3.32Å; S336-S398 PolarHBondContact OG-N 2.98Å; S336-S398 PolarHBondContact OG-OG 3.19Å; S338-S398 WeakPolarHBondContact OG-CB 3.11Å; S338-S398 PolarHBondContact OG-O 3.15Å; S338-S398 PolarHBondContact OG-OG 3.36Å; S398-F406 CarbonylContact C-O 3.59Å; S398-F406 WeakPolarHBondContact CA-O 3.37Å; S398-F406 WeakPolarHBondContact CB-O 3.42Å
399	V	97.3	Very high	95.9	Very high	15 Å²	15	26.7 Å²	26.7	9%	0.091	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144	-174.6	65.9	0	0	0	0	110.7	F406 I408 A449 A451 I456	V399-F406 HydrophobicContact CG1-CB 4.16Å; V399-F406 PolarHBondContact N-O 2.76Å; V399-F406 PolarHBondContact O-N 2.93Å; V399-I408 HydrophobicContact CG1-CD1 4.18Å; V399-A449 HydrophobicContact CB-CB 4.15Å; V399-A449 HydrophobicContact CG1-CB 3.96Å; V399-A451 HydrophobicContact CG2-CB 3.77Å; V399-I456 HydrophobicContact CG1-CD1 4.03Å; V399-I456 HydrophobicContact CG1-CG1 4.4Å; V399-I456 HydrophobicContact CG1-CG2 3.69Å
400	M	95.8	Very high	95.7	Very high	38 Å²	38	26.7 Å²	26.7	19%	0.187	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.2	174.1	-70.9	-55.1	-55.5	0	0	111.3	S339 Y340 R404 L405 A451	S339-M400 WeakPolarHBondContact O-CG 3.46Å; Y340-M400 HydrophobicContact CD2-CE 3.33Å; Y340-M400 HydrophobicContact CD2-SD 4.47Å; Y340-M400 HydrophobicContact CE2-CE 3.97Å; Y340-M400 HydrophobicContact CG-CE 3.67Å; Y340-M400 HydrophobicContact CG-SD 4.41Å; M400-R404 WeakPolarHBondContact CA-O 3.31Å; M400-R404 WeakPolarHBondContact CE-O 3.15Å; M400-L405 WeakPolarHBondContact SD-CA 3.3Å; M400-L405 HydrophobicContact SD-CB 3.53Å; M400-L405 VanDerWaalsContact SD-CB 3.53Å; M400-L405 HydrophobicContact SD-CD1 3.81Å; M400-L405 HydrophobicContact SD-CG 4.29Å; M400-A451 WeakPolarHBondContact O-CB 3.28Å
401	A	95.5	Very high	95.5	Very high	5 Å²	5	21.5 Å²	21.5	4%	0.041	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	141.9	167.1	0	0	0	0	0	109.7	D403 R404 F406 A451 I456 A481	A401-D403 PolarHBondContact O-N 2.69Å; A401-R404 PolarHBondContact N-O 2.81Å; A401-R404 PolarHBondContact O-N 3.27Å; A401-F406 HydrophobicContact CB-CD2 4.29Å; A401-F406 HydrophobicContact CB-CE2 4.07Å; A401-F406 WeakPolarHBondContact O-CE2 3.5Å; A401-A451 HydrophobicContact CB-CB 4.01Å; A401-I456 HydrophobicContact CB-CD1 3.83Å; A401-I456 HydrophobicContact CB-CG1 3.67Å; A401-A481 HydrophobicContact CB-CB 4.49Å
402	L	93.3	Very high	95.3	Very high	82 Å²	82	22.3 Å²	22.3	43%	0.429	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	45.8	-177.8	-60.9	-180	0	0	0	113	R404 N454 A481	L402-R404 WeakPolarHBondContact O-CG 3.17Å; L402-R404 PolarHBondContact O-N 2.8Å; L402-R404 VanDerWaalsContact O-N 3.15Å; L402-N454 HydrophobicContact CD1-CB 4.03Å; L402-N454 HydrophobicContact CD2-CB 3.79Å; L402-N454 HydrophobicContact CG-CB 3.99Å; L402-A481 HydrophobicContact CD1-CB 3.72Å; L402-A481 HydrophobicContact CG-CB 4.25Å
403	D	93.4	Very high	94.8	Very high	88 Å²	88	27.4 Å²	27.4	47%	0.471	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	21.4	179.1	-56.1	-29.8	0	0	0	115.3	P286 Y340 A401 P429	P286-D403 WeakPolarHBondContact CG-OD1 3.05Å; Y340-D403 HydrophobicContact CE2-CB 3.8Å; Y340-D403 WeakPolarHBondContact OH-CB 3.5Å; A401-D403 PolarHBondContact O-N 2.69Å; D403-P429 WeakPolarHBondContact O-CD 3.43Å
404	R	95.8	Very high	93.9	Very high	67 Å²	67	27.7 Å²	27.7	25%	0.253	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.7	179.2	-59	175.8	79.4	166.5	16.8	111.4	M400 A401 L402 F406 S426 Y427 N428	M400-R404 WeakPolarHBondContact CA-O 3.31Å; M400-R404 WeakPolarHBondContact CE-O 3.15Å; A401-R404 PolarHBondContact N-O 2.81Å; A401-R404 PolarHBondContact O-N 3.27Å; L402-R404 WeakPolarHBondContact O-CG 3.17Å; L402-R404 PolarHBondContact O-N 2.8Å; L402-R404 VanDerWaalsContact O-N 3.15Å; R404-F406 HydrophobicContact CB-CD2 4.44Å; R404-F406 HydrophobicContact CB-CE2 3.84Å; R404-F406 HydrophobicContact CB-CZ 4.43Å; R404-F406 WeakPolarHBondContact O-CD2 3.47Å; R404-S426 VanDerWaalsContact CZ-OG 3.28Å; R404-S426 PolarHBondContact NE-OG 2.7Å; R404-S426 PolarHBondContact NH2-OG 3.36Å; R404-Y427 CarbonylContact C-O 3.57Å; R404-Y427 VanDerWaalsContact CA-O 3.28Å; R404-Y427 WeakPolarHBondContact CA-O 3.4Å; R404-N428 HydrophobicContact CG-CB 4.49Å
405	L	97.7	Very high	92.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	117.2	175.5	177.5	63.1	0	0	0	109	S338 F345 T347 M400 S426 Y427 W434	S338-L405 VanDerWaalsContact CB-CD1 3.44Å; S338-L405 WeakPolarHBondContact OG-CD1 3.36Å; F345-L405 HydrophobicContact CB-CD2 3.74Å; F345-L405 HydrophobicContact CG-CD2 4.2Å; T347-L405 HydrophobicContact CG2-CD2 3.62Å; M400-L405 WeakPolarHBondContact SD-CA 3.3Å; M400-L405 HydrophobicContact SD-CB 3.53Å; M400-L405 VanDerWaalsContact SD-CB 3.53Å; M400-L405 HydrophobicContact SD-CD1 3.81Å; M400-L405 HydrophobicContact SD-CG 4.29Å; L405-S426 CarbonylContact O-C 3.59Å; L405-S426 VanDerWaalsContact O-CA 3.23Å; L405-S426 WeakPolarHBondContact O-CA 3.44Å; L405-Y427 PolarHBondContact N-O 3.45Å; L405-Y427 PolarHBondContact O-N 3.43Å; L405-W434 HydrophobicContact CD2-CH2 4.43Å
406	F	98.4	Very high	91.6	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.013	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.3	174.3	-70	-99.9	0	0	0	109.9	S398 V399 A401 R404 I408 V424 E425 V437 I456 Y479 A481	S398-F406 CarbonylContact C-O 3.59Å; S398-F406 WeakPolarHBondContact CA-O 3.37Å; S398-F406 WeakPolarHBondContact CB-O 3.42Å; V399-F406 HydrophobicContact CG1-CB 4.16Å; V399-F406 PolarHBondContact N-O 2.76Å; V399-F406 PolarHBondContact O-N 2.93Å; A401-F406 HydrophobicContact CB-CD2 4.29Å; A401-F406 HydrophobicContact CB-CE2 4.07Å; A401-F406 WeakPolarHBondContact O-CE2 3.5Å; R404-F406 HydrophobicContact CB-CD2 4.44Å; R404-F406 HydrophobicContact CB-CE2 3.84Å; R404-F406 HydrophobicContact CB-CZ 4.43Å; R404-F406 WeakPolarHBondContact O-CD2 3.47Å; F406-I408 HydrophobicContact CB-CD1 4.3Å; F406-I408 HydrophobicContact CB-CG1 4.36Å; F406-V424 HydrophobicContact CD1-CG1 4.32Å; F406-E425 WeakPolarHBondContact CA-O 3.3Å; F406-V437 HydrophobicContact CD1-CG2 4.35Å; F406-V437 HydrophobicContact CE1-CG1 4.34Å; F406-V437 HydrophobicContact CE1-CG2 4.23Å; F406-I456 HydrophobicContact CB-CD1 3.98Å; F406-I456 HydrophobicContact CD1-CD1 3.95Å; F406-I456 HydrophobicContact CD2-CD1 3.54Å; F406-I456 HydrophobicContact CE1-CD1 4.34Å; F406-I456 HydrophobicContact CE2-CD1 3.96Å; F406-I456 HydrophobicContact CG-CD1 3.53Å; F406-I456 HydrophobicContact CZ-CD1 4.35Å; F406-Y479 HydrophobicContact CD1-CE1 4.2Å; F406-Y479 AromaticContact CE1-CE1 3.61Å; F406-Y479 HydrophobicContact CE1-CE1 3.61Å; F406-Y479 HydrophobicContact CZ-CE1 4.16Å; F406-A481 HydrophobicContact CE2-CB 4.39Å; F406-A481 HydrophobicContact CZ-CB 3.97Å
407	V	98.3	Very high	90.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.1	170.7	-65.2	0	0	0	0	109.5	T347 M389 T397 E425 W434	T347-V407 HydrophobicContact CG2-CG1 3.86Å; M389-V407 HydrophobicContact SD-CB 4.34Å; M389-V407 HydrophobicContact SD-CG1 4.01Å; M389-V407 HydrophobicContact SD-CG2 3.94Å; T397-V407 WeakPolarHBondContact O-CA 3.37Å; V407-E425 HydrophobicContact CG2-CB 3.74Å; V407-E425 PolarHBondContact N-O 3.25Å; V407-E425 PolarHBondContact O-N 3.46Å; V407-W434 HydrophobicContact CG1-CH2 3.75Å; V407-W434 HydrophobicContact CG1-CZ3 4.07Å; V407-W434 HydrophobicContact CG2-CH2 4.13Å; V407-W434 HydrophobicContact CG2-CZ3 3.68Å
408	I	98.1	Very high	89.4	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.9	-164.8	-57.2	167.7	0	0	0	109.9	H396 T397 V399 F406 V424 L440 A449 I456 V458 W486	H396-I408 WeakPolarHBondContact CB-O 3.35Å; T397-I408 HydrophobicContact CG2-CB 3.95Å; T397-I408 PolarHBondContact N-O 3.36Å; T397-I408 VanDerWaalsContact N-O 3.08Å; T397-I408 PolarHBondContact O-N 3.1Å; V399-I408 HydrophobicContact CG1-CD1 4.18Å; F406-I408 HydrophobicContact CB-CD1 4.3Å; F406-I408 HydrophobicContact CB-CG1 4.36Å; I408-V424 HydrophobicContact CG1-CG1 3.81Å; I408-V424 HydrophobicContact CG1-CG2 4.43Å; I408-V424 HydrophobicContact CG2-CG2 4.31Å; I408-L440 HydrophobicContact CG2-CD1 3.78Å; I408-L440 HydrophobicContact CG2-CD2 3.89Å; I408-L440 HydrophobicContact CG2-CG 4.02Å; I408-A449 HydrophobicContact CD1-CB 4.37Å; I408-I456 HydrophobicContact CD1-CG2 3.94Å; I408-V458 HydrophobicContact CD1-CG2 3.8Å; I408-V458 HydrophobicContact CG2-CG1 4.07Å; I408-V458 HydrophobicContact CG2-CG2 4.3Å; I408-W486 HydrophobicContact CD1-CH2 4.46Å; I408-W486 HydrophobicContact CG2-CH2 4.41Å
409	G	95.3	Very high	88.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.248	C	C	.	.			trans	70.4	-150.7	179	0	0	0	0	0	113.7	R393 H396	R393-G409 PolarHBondContact NH1-O 2.88Å; R393-G409 VanDerWaalsContact NH1-O 3.07Å; H396-G409 WeakPolarHBondContact CB-O 3.3Å
410	G	93.5	Very high	88.4	Confident	2 Å²	2	52.7 Å²	52.7	2%	0.021	25%	0.247	C	C	.	.			trans	84.2	-167.9	-177.1	0	0	0	0	0	113.5	T394 M395 S420 L421	T394-G410 CarbonylContact O-C 3.6Å; T394-G410 WeakPolarHBondContact O-CA 3.33Å; M395-G410 WeakPolarHBondContact O-CA 3.31Å; G410-S420 CarbonylContact O-C 3.57Å; G410-S420 WeakPolarHBondContact O-CA 3.4Å; G410-S420 PolarHBondContact O-OG 2.84Å; G410-L421 PolarHBondContact O-N 2.77Å
411	K	91.6	Very high	88.3	Confident	10 Å²	10	52 Å²	52	4%	0.043	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-139.5	152.5	-176.3	-63	178.1	178	-176.1	0	111.7	A369 R393 T394 I418 E464	A369-K411 WeakPolarHBondContact CB-O 3.2Å; R393-K411 CarbonylContact C-O 3.56Å; R393-K411 WeakPolarHBondContact CA-O 3.06Å; T394-K411 PolarHBondContact N-O 3.31Å; T394-K411 PolarHBondContact O-N 2.94Å; K411-I418 HydrophobicContact CB-CG2 4.41Å; K411-I418 WeakPolarHBondContact CE-O 3.48Å; K411-E464 IonicContact NZ-OE1 2.94Å; K411-E464 PolarHBondContact NZ-OE1 2.89Å; K411-E464 IonicContact NZ-OE2 2.59Å; K411-E464 PolarHBondContact NZ-OE2 2.76Å
412	T	91.8	Very high	88.4	Confident	48 Å²	48	55.4 Å²	55.4	29%	0.294	26%	0.261	S	S	.	.	S	Bend	trans	-78.5	-25.4	173.1	48.2	0	0	0	0	112.9	A369 T391 P392 L421	A369-T412 WeakPolarHBondContact CB-O 2.86Å; A369-T412 PolarHBondContact N-O 3Å; T391-T412 HydrophobicContact CG2-CG2 3.86Å; P392-T412 VanDerWaalsContact O-CG2 3.26Å; P392-T412 WeakPolarHBondContact O-CG2 3.33Å; T412-L421 HydrophobicContact CG2-CD1 4.2Å; T412-L421 HydrophobicContact CG2-CD2 4.06Å
413	R	86.9	Confident	88.6	Confident	141 Å²	141	55.4 Å²	55.4	53%	0.532	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-150.7	150.1	176.1	-51.5	179.2	160.2	156.7	0.6	111.6	H367 D368 S415 I418	H367-R413 CarbonylContact O-C 3.45Å; H367-R413 WeakPolarHBondContact O-CA 3.41Å; H367-R413 WeakPolarHBondContact O-CB 3.47Å; D368-R413 WeakPolarHBondContact OD1-CD 3.39Å; D368-R413 VanDerWaalsContact OD1-CG 3.32Å; D368-R413 WeakPolarHBondContact OD1-CG 3.45Å; D368-R413 IonicContact OD1-CZ 3.62Å; D368-R413 IonicContact OD1-NE 2.58Å; D368-R413 PolarHBondContact OD1-NE 2.72Å; D368-R413 IonicContact OD1-NH2 3.77Å; R413-S415 PolarHBondContact O-N 2.71Å; R413-I418 HydrophobicContact CB-CD1 3.58Å; R413-I418 HydrophobicContact CG-CD1 4.27Å
414	G	74.6	Confident	88.8	Confident	7 Å²	7	51.3 Å²	51.3	7%	0.072	24%	0.24	C	C	.	.			trans	-71.5	108.7	164.8	0	0	0	0	0	110.3	S365 Y366 H367	S365-G414 CarbonylContact O-C 3.48Å; S365-G414 VanDerWaalsContact O-C 3.22Å; S365-G414 VanDerWaalsContact O-O 3.1Å; Y366-G414 WeakPolarHBondContact CA-O 3.44Å; Y366-G414 WeakPolarHBondContact CD1-O 3.27Å; H367-G414 PolarHBondContact CD2-N 3.41Å; H367-G414 WeakPolarHBondContact CE1-CA 3.36Å; H367-G414 WeakPolarHBondContact NE2-CA 3.39Å; H367-G414 PolarHBondContact NE2-N 2.93Å; H367-G414 PolarHBondContact O-N 3.3Å
415	S	72.1	Confident	88.9	Confident	26 Å²	26	48.1 Å²	48.1	18%	0.182	23%	0.228	C	C	.	.			trans	-162.9	146.4	165.1	176.8	0	0	0	0	107.9	R413 D417 I418	R413-S415 PolarHBondContact O-N 2.71Å; S415-D417 PolarHBondContact O-N 3.14Å; S415-D417 VanDerWaalsContact O-N 3.17Å; S415-I418 PolarHBondContact O-N 3.03Å
416	R	64.6	Low	88.9	Confident	212 Å²	212	48.1 Å²	48.1	80%	0.8	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24	179.6	-62.3	-172.1	-160.9	-162.5	3.3	112.9
417	D	69.2	Low	88.9	Confident	148 Å²	148	48.1 Å²	48.1	79%	0.791	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-6	-177.3	-60.4	-37.3	0	0	0	113.7	S415	S415-D417 PolarHBondContact O-N 3.14Å; S415-D417 VanDerWaalsContact O-N 3.17Å
418	I	77.6	Confident	88.8	Confident	46 Å²	46	50.3 Å²	50.3	24%	0.236	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-92.9	116.7	-176.7	-66.4	176.4	0	0	0	109.9	K411 R413 S415	K411-I418 HydrophobicContact CB-CG2 4.41Å; K411-I418 WeakPolarHBondContact CE-O 3.48Å; R413-I418 HydrophobicContact CB-CD1 3.58Å; R413-I418 HydrophobicContact CG-CD1 4.27Å; S415-I418 PolarHBondContact O-N 3.03Å
419	K	83.3	Confident	88.6	Confident	173 Å²	173	50.3 Å²	50.3	75%	0.752	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-69.7	150.7	174.6	-63	-170.2	177.7	-173.3	0	111
420	S	90	Very high	88.4	Confident	10 Å²	10	53.3 Å²	53.3	7%	0.07	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-58.6	144.1	171.3	-174.3	0	0	0	0	111.4	G410 I444	G410-S420 CarbonylContact O-C 3.57Å; G410-S420 WeakPolarHBondContact O-CA 3.4Å; G410-S420 PolarHBondContact O-OG 2.84Å; S420-I444 WeakPolarHBondContact CB-O 3.34Å; S420-I444 PolarHBondContact OG-O 3.06Å
421	L	94.3	Very high	88.4	Confident	24 Å²	24	56 Å²	56	13%	0.126	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-67.4	136.4	179	-70.2	171.7	0	0	0	110.7	T391 R393 G410 T412	T391-L421 HydrophobicContact CG2-CD1 4.01Å; T391-L421 HydrophobicContact CG2-CD2 4.28Å; R393-L421 HydrophobicContact CB-CD1 4.01Å; G410-L421 PolarHBondContact O-N 2.77Å; T412-L421 HydrophobicContact CG2-CD1 4.2Å; T412-L421 HydrophobicContact CG2-CD2 4.06Å
422	L	96.3	Very high	88.5	Confident	76 Å²	76	60.6 Å²	60.6	40%	0.398	29%	0.294	S	S	.	.			trans	-86.8	-25.7	168.8	-55.1	-177.5	0	0	0	111.5	V424 P439 L440	L422-V424 PolarHBondContact O-N 3.49Å; L422-P439 HydrophobicContact CB-CB 4.12Å; L422-P439 CarbonylContact O-C 3.55Å; L422-P439 WeakPolarHBondContact O-CA 3.47Å; L422-P439 WeakPolarHBondContact O-CB 3.43Å; L422-L440 HydrophobicContact CD2-CB 4.43Å; L422-L440 PolarHBondContact O-N 3.01Å
423	D	97	Very high	88.7	Confident	83 Å²	83	64.2 Å²	64.2	44%	0.444	31%	0.307	S	S	.	.			trans	-66.4	121.2	-174	-56.9	-51.8	0	0	0	111.5	R393	R393-D423 PolarHBondContact NH1-O 2.74Å; R393-D423 PolarHBondContact NH2-O 3.2Å; R393-D423 VanDerWaalsContact NH2-O 3.16Å
424	V	98.3	Very high	89.3	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.2	173.8	-177.9	0	0	0	0	108.4	F406 I408 L422 V437 L440 W486	F406-V424 HydrophobicContact CD1-CG1 4.32Å; I408-V424 HydrophobicContact CG1-CG1 3.81Å; I408-V424 HydrophobicContact CG1-CG2 4.43Å; I408-V424 HydrophobicContact CG2-CG2 4.31Å; L422-V424 PolarHBondContact O-N 3.49Å; V424-V437 HydrophobicContact CB-CG2 3.73Å; V424-V437 HydrophobicContact CG1-CG2 3.46Å; V424-V437 VanDerWaalsContact CG1-CG2 3.46Å; V424-V437 WeakPolarHBondContact O-CG2 3.31Å; V424-V437 PolarHBondContact O-N 2.69Å; V424-L440 HydrophobicContact CG2-CG 3.9Å; V424-W486 HydrophobicContact CG2-CZ2 3.98Å
425	E	98.4	Very high	90.4	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.2	179.1	-58.7	174.7	-136.4	0	0	109.7	K390 T391 R393 F406 V407 W434 I435	K390-E425 WeakPolarHBondContact CB-OE2 3.37Å; K390-E425 PolarHBondContact N-OE2 2.96Å; T391-E425 VanDerWaalsContact CB-OE1 3.25Å; T391-E425 WeakPolarHBondContact CB-OE1 3.36Å; T391-E425 PolarHBondContact N-OE1 2.81Å; T391-E425 PolarHBondContact OG1-OE1 3.11Å; R393-E425 IonicContact CZ-OE1 2.74Å; R393-E425 IonicContact NH2-OE1 2.83Å; R393-E425 PolarHBondContact NH2-OE1 3.4Å; F406-E425 WeakPolarHBondContact CA-O 3.3Å; V407-E425 HydrophobicContact CG2-CB 3.74Å; V407-E425 PolarHBondContact N-O 3.25Å; V407-E425 PolarHBondContact O-N 3.46Å; E425-W434 HydrophobicContact CB-CE3 3.74Å; E425-W434 HydrophobicContact CB-CZ3 4.02Å; E425-I435 CarbonylContact C-O 3.57Å; E425-I435 VanDerWaalsContact CA-O 3.28Å; E425-I435 WeakPolarHBondContact CA-O 3.26Å
426	S	98.1	Very high	91.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.4	173.7	68.1	0	0	0	0	111.1	R404 L405 W434 I435	R404-S426 VanDerWaalsContact CZ-OG 3.28Å; R404-S426 PolarHBondContact NE-OG 2.7Å; R404-S426 PolarHBondContact NH2-OG 3.36Å; L405-S426 CarbonylContact O-C 3.59Å; L405-S426 VanDerWaalsContact O-CA 3.23Å; L405-S426 WeakPolarHBondContact O-CA 3.44Å; S426-W434 WeakPolarHBondContact O-CA 3.47Å; S426-I435 PolarHBondContact N-O 3.42Å; S426-I435 PolarHBondContact O-N 3.03Å; S426-I435 WeakPolarHBondContact OG-CG1 3.37Å
427	Y	98.1	Very high	93.2	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.1	177.3	177.7	-113.5	0	0	0	109.9	F345 V386 R404 L405 P429 K432 E433 W434	F345-Y427 HydrophobicContact CD1-CE1 4.29Å; F345-Y427 AromaticContact CE1-CE1 3.81Å; F345-Y427 HydrophobicContact CE1-CE1 3.81Å; F345-Y427 HydrophobicContact CZ-CE1 4.45Å; V386-Y427 HydrophobicContact CG2-CE1 4.38Å; R404-Y427 CarbonylContact C-O 3.57Å; R404-Y427 VanDerWaalsContact CA-O 3.28Å; R404-Y427 WeakPolarHBondContact CA-O 3.4Å; L405-Y427 PolarHBondContact N-O 3.45Å; L405-Y427 PolarHBondContact O-N 3.43Å; Y427-P429 HydrophobicContact CD1-CG 4.05Å; Y427-P429 HydrophobicContact CE1-CB 4.08Å; Y427-P429 HydrophobicContact CE1-CG 4.07Å; Y427-P429 WeakPolarHBondContact O-CD 3.43Å; Y427-K432 VanDerWaalsContact CE2-C 3.47Å; Y427-K432 HydrophobicContact CE2-CB 4.46Å; Y427-E433 WeakPolarHBondContact CA-O 3.39Å; Y427-W434 AromaticContact CD2-CD1 3.6Å; Y427-W434 AromaticContact CD2-CD2 3.97Å; Y427-W434 HydrophobicContact CD2-CD2 3.97Å; Y427-W434 AromaticContact CD2-CE2 3.67Å; Y427-W434 AromaticContact CD2-CG 3.93Å; Y427-W434 HydrophobicContact CD2-CG 3.93Å; Y427-W434 HydrophobicContact CD2-CZ2 4.27Å; Y427-W434 AromaticContact CD2-NE1 3.43Å; Y427-W434 AromaticContact CE2-NE1 4Å; Y427-W434 HydrophobicContact CG-CD2 4.17Å; Y427-W434 AromaticContact CG-CE2 3.79Å; Y427-W434 HydrophobicContact CG-CH2 4.43Å; Y427-W434 AromaticContact CG-CZ2 3.95Å; Y427-W434 HydrophobicContact CG-CZ2 3.95Å
428	N	95.9	Very high	94.6	Very high	45 Å²	45	48.5 Å²	48.5	24%	0.241	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.4	168.6	179.3	-34.4	0	0	0	108.7	R404 L430 S431 K432 E433	R404-N428 HydrophobicContact CG-CB 4.49Å; N428-L430 PolarHBondContact O-N 3.36Å; N428-L430 WeakPolarHBondContact OD1-CA 3.46Å; N428-L430 WeakPolarHBondContact OD1-CB 3.41Å; N428-L430 PolarHBondContact OD1-N 3.4Å; N428-S431 WeakPolarHBondContact CB-OG 3.47Å; N428-S431 PolarHBondContact OD1-N 2.94Å; N428-K432 VanDerWaalsContact O-CA 3.29Å; N428-K432 WeakPolarHBondContact O-CA 3.04Å; N428-K432 PolarHBondContact O-N 3.33Å; N428-E433 PolarHBondContact N-O 2.88Å
429	P	94.1	Very high	95.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.3	-178.8	-26	38	0	0	0	115.1	L284 Y340 F345 D403 Y427	L284-P429 HydrophobicContact CD2-CB 4.03Å; Y340-P429 HydrophobicContact CD1-CB 3.71Å; Y340-P429 HydrophobicContact CD1-CG 3.53Å; Y340-P429 HydrophobicContact CE1-CB 3.82Å; Y340-P429 HydrophobicContact CE1-CG 3.82Å; Y340-P429 HydrophobicContact CG-CG 4.19Å; F345-P429 HydrophobicContact CE2-CB 4.42Å; F345-P429 HydrophobicContact CE2-CG 4.36Å; F345-P429 HydrophobicContact CZ-CB 3.9Å; F345-P429 HydrophobicContact CZ-CG 4.19Å; D403-P429 WeakPolarHBondContact O-CD 3.43Å; Y427-P429 HydrophobicContact CD1-CG 4.05Å; Y427-P429 HydrophobicContact CE1-CB 4.08Å; Y427-P429 HydrophobicContact CE1-CG 4.07Å; Y427-P429 WeakPolarHBondContact O-CD 3.43Å
430	L	91.8	Very high	96.2	Very high	62 Å²	62	41.5 Å²	41.5	33%	0.325	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-48.7	179.2	-63.1	174.8	0	0	0	111.7	L284 F285 N428 K432	L284-L430 HydrophobicContact CB-CD2 3.87Å; F285-L430 HydrophobicContact CD1-CD1 4.38Å; F285-L430 HydrophobicContact CD1-CD2 4.3Å; F285-L430 HydrophobicContact CE1-CD1 3.99Å; F285-L430 HydrophobicContact CE1-CD2 3.82Å; F285-L430 HydrophobicContact CE2-CD2 4.36Å; F285-L430 HydrophobicContact CZ-CD2 3.84Å; N428-L430 PolarHBondContact O-N 3.36Å; N428-L430 WeakPolarHBondContact OD1-CA 3.46Å; N428-L430 WeakPolarHBondContact OD1-CB 3.41Å; N428-L430 PolarHBondContact OD1-N 3.4Å; L430-K432 VanDerWaalsContact C-N 3.31Å
431	S	92.7	Very high	96.5	Very high	59 Å²	59	44.4 Å²	44.4	41%	0.413	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.3	177	74.4	0	0	0	0	113.1	N428 E433	N428-S431 WeakPolarHBondContact CB-OG 3.47Å; N428-S431 PolarHBondContact OD1-N 2.94Å; S431-E433 VanDerWaalsContact C-N 3.28Å; S431-E433 PolarHBondContact O-N 2.95Å
432	K	93.6	Very high	96.3	Very high	106 Å²	106	47 Å²	47	46%	0.461	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	33.7	-177.5	-52.7	175.4	-176.2	175.8	0	112.9	S387 Y427 N428 L430	S387-K432 VanDerWaalsContact CB-O 3.26Å; S387-K432 WeakPolarHBondContact CB-O 3.46Å; S387-K432 PolarHBondContact OG-O 2.85Å; Y427-K432 VanDerWaalsContact CE2-C 3.47Å; Y427-K432 HydrophobicContact CE2-CB 4.46Å; N428-K432 VanDerWaalsContact O-CA 3.29Å; N428-K432 WeakPolarHBondContact O-CA 3.04Å; N428-K432 PolarHBondContact O-N 3.33Å; L430-K432 VanDerWaalsContact C-N 3.31Å
433	E	96.2	Very high	96	Very high	125 Å²	125	44.1 Å²	44.1	58%	0.584	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.1	-177.7	-67.2	-177.1	161.3	0	0	112.2	Y427 N428 S431	Y427-E433 WeakPolarHBondContact CA-O 3.39Å; N428-E433 PolarHBondContact N-O 2.88Å; S431-E433 VanDerWaalsContact C-N 3.28Å; S431-E433 PolarHBondContact O-N 2.95Å
434	W	98.2	Very high	95.8	Very high	22 Å²	22	40.2 Å²	40.2	8%	0.083	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130	167.5	-75.3	96.4	0	0	0	110.4	T347 T373 S387 T388 M389 K390 L405 V407 E425 S426 Y427	T347-W434 HydrophobicContact CG2-CH2 4.15Å; T347-W434 HydrophobicContact CG2-CZ2 4.32Å; T373-W434 HydrophobicContact CG2-CZ2 4.09Å; T373-W434 WeakPolarHBondContact OG1-CZ2 3.4Å; S387-W434 PolarHBondContact O-NE1 2.95Å; T388-W434 VanDerWaalsContact C-CD1 3.49Å; M389-W434 HydrophobicContact CG-CD2 4.06Å; M389-W434 HydrophobicContact CG-CE3 4.24Å; M389-W434 HydrophobicContact CG-CH2 3.66Å; M389-W434 HydrophobicContact CG-CZ2 3.43Å; M389-W434 VanDerWaalsContact CG-CZ2 3.43Å; M389-W434 HydrophobicContact CG-CZ3 4.06Å; M389-W434 HydrophobicContact SD-CH2 4.15Å; M389-W434 HydrophobicContact SD-CZ2 4.35Å; K390-W434 WeakPolarHBondContact CE-O 3.29Å; L405-W434 HydrophobicContact CD2-CH2 4.43Å; V407-W434 HydrophobicContact CG1-CH2 3.75Å; V407-W434 HydrophobicContact CG1-CZ3 4.07Å; V407-W434 HydrophobicContact CG2-CH2 4.13Å; V407-W434 HydrophobicContact CG2-CZ3 3.68Å; E425-W434 HydrophobicContact CB-CE3 3.74Å; E425-W434 HydrophobicContact CB-CZ3 4.02Å; S426-W434 WeakPolarHBondContact O-CA 3.47Å; Y427-W434 AromaticContact CD2-CD1 3.6Å; Y427-W434 AromaticContact CD2-CD2 3.97Å; Y427-W434 HydrophobicContact CD2-CD2 3.97Å; Y427-W434 AromaticContact CD2-CE2 3.67Å; Y427-W434 AromaticContact CD2-CG 3.93Å; Y427-W434 HydrophobicContact CD2-CG 3.93Å; Y427-W434 HydrophobicContact CD2-CZ2 4.27Å; Y427-W434 AromaticContact CD2-NE1 3.43Å; Y427-W434 AromaticContact CE2-NE1 4Å; Y427-W434 HydrophobicContact CG-CD2 4.17Å; Y427-W434 AromaticContact CG-CE2 3.79Å; Y427-W434 HydrophobicContact CG-CH2 4.43Å; Y427-W434 AromaticContact CG-CZ2 3.95Å; Y427-W434 HydrophobicContact CG-CZ2 3.95Å
435	I	97.8	Very high	95.3	Very high	62 Å²	62	41.9 Å²	41.9	32%	0.318	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.5	169.1	74	166.5	0	0	0	110.6	E425 S426 V437	E425-I435 CarbonylContact C-O 3.57Å; E425-I435 VanDerWaalsContact CA-O 3.28Å; E425-I435 WeakPolarHBondContact CA-O 3.26Å; S426-I435 PolarHBondContact N-O 3.42Å; S426-I435 PolarHBondContact O-N 3.03Å; S426-I435 WeakPolarHBondContact OG-CG1 3.37Å; I435-V437 HydrophobicContact CD1-CG1 4.13Å; I435-V437 HydrophobicContact CG1-CG1 4.14Å
436	S	98.3	Very high	94.8	Very high	72 Å²	72	44.6 Å²	44.6	50%	0.503	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.9	169.8	-53	0	0	0	0	107.7	K390	K390-S436 WeakPolarHBondContact CD-OG 3.16Å; K390-S436 PolarHBondContact NZ-OG 2.92Å
437	V	98.4	Very high	94.6	Very high	19 Å²	19	45.1 Å²	45.1	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-177.7	174.1	-59.4	0	0	0	0	109.2	F406 V424 I435 Y479	F406-V437 HydrophobicContact CD1-CG2 4.35Å; F406-V437 HydrophobicContact CE1-CG1 4.34Å; F406-V437 HydrophobicContact CE1-CG2 4.23Å; V424-V437 HydrophobicContact CB-CG2 3.73Å; V424-V437 HydrophobicContact CG1-CG2 3.46Å; V424-V437 VanDerWaalsContact CG1-CG2 3.46Å; V424-V437 WeakPolarHBondContact O-CG2 3.31Å; V424-V437 PolarHBondContact O-N 2.69Å; I435-V437 HydrophobicContact CD1-CG1 4.13Å; I435-V437 HydrophobicContact CG1-CG1 4.14Å; V437-Y479 WeakPolarHBondContact CB-OH 3.19Å
438	S	98.4	Very high	94.3	Very high	28 Å²	28	46.8 Å²	46.8	20%	0.196	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-54.2	131.7	179.8	-66.6	0	0	0	0	111	D484 W486	S438-D484 WeakPolarHBondContact CA-OD1 3.36Å; S438-D484 WeakPolarHBondContact CB-OD1 3.45Å; S438-D484 PolarHBondContact N-OD1 2.94Å; S438-D484 PolarHBondContact N-OD2 3.28Å; S438-D484 PolarHBondContact OG-O 2.75Å; S438-D484 PolarHBondContact OG-OD1 3Å; S438-D484 PolarHBondContact OG-OD2 3.47Å; S438-W486 PolarHBondContact O-NE1 3.29Å
439	P	98.1	Very high	94.3	Very high	70 Å²	70	45.2 Å²	45.2	46%	0.455	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-70.5	156.7	-178.2	30.7	-35.6	0	0	0	110.9	L422 W486	L422-P439 HydrophobicContact CB-CB 4.12Å; L422-P439 CarbonylContact O-C 3.55Å; L422-P439 WeakPolarHBondContact O-CA 3.47Å; L422-P439 WeakPolarHBondContact O-CB 3.43Å; P439-W486 PolarHBondContact O-NE1 3.28Å
440	L	96.9	Very high	94.4	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-53	139.6	169.8	-80.4	165.8	0	0	0	110.4	I408 L422 V424 R442 I444 F477 W486	I408-L440 HydrophobicContact CG2-CD1 3.78Å; I408-L440 HydrophobicContact CG2-CD2 3.89Å; I408-L440 HydrophobicContact CG2-CG 4.02Å; L422-L440 HydrophobicContact CD2-CB 4.43Å; L422-L440 PolarHBondContact O-N 3.01Å; V424-L440 HydrophobicContact CG2-CG 3.9Å; L440-R442 PolarHBondContact O-N 2.97Å; L440-I444 HydrophobicContact CD1-CD1 4.4Å; L440-I444 HydrophobicContact CD1-CG1 4.11Å; L440-I444 HydrophobicContact CD2-CD1 4.41Å; L440-F477 HydrophobicContact CD2-CD2 4.35Å; L440-W486 HydrophobicContact CD2-CE3 4.3Å; L440-W486 HydrophobicContact CD2-CH2 3.53Å; L440-W486 HydrophobicContact CD2-CZ2 3.89Å; L440-W486 HydrophobicContact CD2-CZ3 3.74Å; L440-W486 HydrophobicContact CG-CH2 4.43Å; L440-W486 HydrophobicContact CG-CZ2 4.36Å
441	P	94.9	Very high	94.6	Very high	71 Å²	71	43.3 Å²	43.3	46%	0.461	24%	0.237	S	C	.	.	S	Bend	trans	-59	-32.8	176.1	-25.6	35.1	0	0	0	113.1	F477 W486	P441-F477 HydrophobicContact CB-CE1 4.02Å; P441-F477 HydrophobicContact CB-CZ 4.47Å; P441-F477 HydrophobicContact CG-CD1 4.01Å; P441-F477 HydrophobicContact CG-CE1 3.99Å; P441-W486 HydrophobicContact CG-CB 3.62Å; P441-W486 HydrophobicContact CG-CD2 4.46Å; P441-W486 HydrophobicContact CG-CG 4.04Å
442	R	91.1	Very high	94.7	Very high	77 Å²	77	41 Å²	41	29%	0.291	22%	0.22	S	C	.	.	S	Bend	trans	-149.4	150.9	179.3	-178.3	169.4	62.5	-177.7	-7	110.4	L440 E462 C475 F477 E488	L440-R442 PolarHBondContact O-N 2.97Å; R442-E462 WeakPolarHBondContact CD-OE1 2.91Å; R442-E462 VanDerWaalsContact CZ-CD 3.45Å; R442-E462 IonicContact CZ-OE1 3.71Å; R442-E462 IonicContact CZ-OE2 3.03Å; R442-E462 IonicContact NE-OE1 2.74Å; R442-E462 IonicContact NH1-OE1 3.58Å; R442-E462 PolarHBondContact NH1-OE1 2.76Å; R442-E462 IonicContact NH1-OE2 2.92Å; R442-E462 PolarHBondContact NH1-OE2 3.44Å; R442-E462 IonicContact NH2-OE2 3.28Å; R442-C475 PolarHBondContact NH2-SG 3.12Å; R442-F477 HydrophobicContact CB-CZ 4.27Å; R442-E488 IonicContact NH2-OE1 3.67Å
443	G	89.6	Confident	94.5	Very high	17 Å²	17	42.5 Å²	42.5	18%	0.175	23%	0.229	C	C	.	.			trans	-70.6	131.6	177.5	0	0	0	0	0	110.5
444	I	91.8	Very high	94.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.213	C	C	.	.			trans	-126.6	147.2	-178.8	57.9	174.2	0	0	0	111.9	S420 L440 P447 V458 S461 C475 F477	S420-I444 WeakPolarHBondContact CB-O 3.34Å; S420-I444 PolarHBondContact OG-O 3.06Å; L440-I444 HydrophobicContact CD1-CD1 4.4Å; L440-I444 HydrophobicContact CD1-CG1 4.11Å; L440-I444 HydrophobicContact CD2-CD1 4.41Å; I444-P447 HydrophobicContact CD1-CB 3.95Å; I444-P447 HydrophobicContact CG1-CB 4.3Å; I444-V458 HydrophobicContact CD1-CG1 3.49Å; I444-V458 VanDerWaalsContact CD1-CG1 3.49Å; I444-S461 CarbonylContact C-O 3.59Å; I444-S461 VanDerWaalsContact CA-O 3.27Å; I444-S461 WeakPolarHBondContact CA-O 3.35Å; I444-C475 HydrophobicContact CG2-CB 3.7Å; I444-F477 HydrophobicContact CG2-CD2 4.47Å; I444-F477 HydrophobicContact CG2-CE2 3.69Å
445	Y	88.9	Confident	94.3	Very high	36 Å²	36	38.3 Å²	38.3	14%	0.141	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	151.2	176	-59.3	-94.7	0	0	0	109.5	G460 S461 E462 V463 E464	Y445-G460 WeakPolarHBondContact O-CA 3.46Å; Y445-S461 WeakPolarHBondContact CD2-O 3.48Å; Y445-S461 PolarHBondContact N-O 3.23Å; Y445-S461 PolarHBondContact O-N 2.92Å; Y445-E462 WeakPolarHBondContact CE2-O 3.29Å; Y445-V463 VanDerWaalsContact CD2-C 3.48Å; Y445-E464 HydrophobicContact CD1-CB 3.48Å; Y445-E464 VanDerWaalsContact CD1-CB 3.48Å; Y445-E464 HydrophobicContact CD1-CG 3.75Å; Y445-E464 HydrophobicContact CD2-CB 4.45Å; Y445-E464 HydrophobicContact CE1-CB 3.66Å; Y445-E464 HydrophobicContact CE1-CG 4.13Å; Y445-E464 HydrophobicContact CG-CB 3.9Å; Y445-E464 HydrophobicContact CG-CG 4.45Å
446	Y	87.5	Confident	94.3	Very high	59 Å²	59	35.4 Å²	35.4	23%	0.231	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.8	54.4	-174.9	-46.5	-78.1	0	0	0	112.7	E448 E464 T500	Y446-E448 PolarHBondContact O-N 3.22Å; Y446-E464 HydrophobicContact CE2-CG 4.46Å; Y446-E464 WeakPolarHBondContact CE2-O 3.42Å; Y446-E464 PolarHBondContact OH-O 2.88Å; Y446-T500 HydrophobicContact CD1-CG2 4.09Å; Y446-T500 HydrophobicContact CD2-CG2 3.49Å; Y446-T500 VanDerWaalsContact CD2-CG2 3.49Å; Y446-T500 HydrophobicContact CE1-CG2 4.35Å; Y446-T500 HydrophobicContact CE2-CG2 3.77Å; Y446-T500 HydrophobicContact CG-CG2 3.65Å
447	P	93.1	Very high	94.3	Very high	11 Å²	11	32.2 Å²	32.2	7%	0.071	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	131.5	-178.9	30.7	-35.5	0	0	0	109.6	M395 T397 I444 V458 L459	M395-P447 WeakPolarHBondContact O-CD 3.26Å; T397-P447 VanDerWaalsContact CB-O 3.3Å; T397-P447 WeakPolarHBondContact CB-O 3.25Å; T397-P447 HydrophobicContact CG2-CB 3.74Å; T397-P447 HydrophobicContact CG2-CG 4.09Å; I444-P447 HydrophobicContact CD1-CB 3.95Å; I444-P447 HydrophobicContact CG1-CB 4.3Å; P447-V458 HydrophobicContact CB-CG1 4.47Å; P447-L459 CarbonylContact C-O 3.59Å; P447-L459 VanDerWaalsContact CA-O 3.26Å; P447-L459 WeakPolarHBondContact CA-O 3.44Å
448	E	93.3	Very high	94.1	Very high	37 Å²	37	31.3 Å²	31.3	17%	0.173	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.5	170.8	-178.4	75.1	-168.3	0	0	106.6	Y446 V458 L459 I502 K503 A504	Y446-E448 PolarHBondContact O-N 3.22Å; E448-V458 WeakPolarHBondContact O-CA 3.31Å; E448-L459 PolarHBondContact N-O 2.94Å; E448-L459 PolarHBondContact O-N 3.38Å; E448-I502 HydrophobicContact CB-CD1 4.5Å; E448-K503 WeakPolarHBondContact OE1-CD 3.35Å; E448-K503 IonicContact OE2-NZ 2.72Å; E448-K503 PolarHBondContact OE2-NZ 3.48Å; E448-A504 HydrophobicContact CG-CB 3.71Å; E448-A504 PolarHBondContact OE1-N 3Å; E448-A504 VanDerWaalsContact OE1-N 3.16Å
449	A	95.8	Very high	93.9	Very high	12 Å²	12	30 Å²	30	10%	0.099	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.9	-175.3	0	0	0	0	0	112.3	T397 V399 I408 I456 Y457 V458	T397-A449 HydrophobicContact CG2-CB 3.48Å; T397-A449 VanDerWaalsContact CG2-CB 3.48Å; V399-A449 HydrophobicContact CB-CB 4.15Å; V399-A449 HydrophobicContact CG1-CB 3.96Å; I408-A449 HydrophobicContact CD1-CB 4.37Å; A449-I456 HydrophobicContact CB-CG2 4.29Å; A449-Y457 CarbonylContact C-O 3.55Å; A449-Y457 VanDerWaalsContact CA-O 3.23Å; A449-Y457 WeakPolarHBondContact CA-O 3.41Å; A449-V458 HydrophobicContact CB-CG2 4.13Å
450	S	96.4	Very high	93.5	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.028	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	137.6	178	-161.2	0	0	0	0	110.4	Y457 A504 P506	S450-Y457 PolarHBondContact N-O 3.42Å; S450-Y457 PolarHBondContact O-N 3.01Å; S450-A504 WeakPolarHBondContact CB-O 3.41Å; S450-A504 PolarHBondContact OG-O 2.84Å; S450-P506 VanDerWaalsContact OG-CD 3.23Å; S450-P506 WeakPolarHBondContact OG-CD 3.14Å
451	A	95.8	Very high	93	Very high	19 Å²	19	27.1 Å²	27.1	16%	0.157	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.2	-178.1	0	0	0	0	0	111.2	V399 M400 A401 V455 I456 P506	V399-A451 HydrophobicContact CG2-CB 3.77Å; M400-A451 WeakPolarHBondContact O-CB 3.28Å; A401-A451 HydrophobicContact CB-CB 4.01Å; A451-V455 CarbonylContact C-O 3.53Å; A451-V455 WeakPolarHBondContact CA-O 3.22Å; A451-I456 HydrophobicContact CB-CG1 4.49Å; A451-P506 VanDerWaalsContact O-CB 3.29Å; A451-P506 WeakPolarHBondContact O-CB 3.46Å
452	C	94.2	Very high	92.5	Very high	10 Å²	10	27.3 Å²	27.3	7%	0.068	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	101.4	168.1	-66.7	0	0	0	0	107.5	N454 V455 Y457	C452-N454 PolarHBondContact O-N 2.96Å; C452-N454 VanDerWaalsContact O-N 3.15Å; C452-V455 PolarHBondContact N-O 2.96Å; C452-V455 PolarHBondContact O-N 3.36Å; C452-Y457 HydrophobicContact CB-CD2 4.46Å; C452-Y457 HydrophobicContact CB-CE2 4.05Å
453	Q	89.4	Confident	92.1	Very high	138 Å²	138	25.8 Å²	25.8	65%	0.645	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	-112	-174.5	-55.7	176.3	-9.9	0	0	112.2	C509	Q453-C509 HydrophobicContact CG-CB 4.02Å; Q453-C509 VanDerWaalsContact CG-SG 3.54Å; Q453-C509 PolarHBondContact NE2-SG 3.47Å
454	N	94.1	Very high	91.4	Very high	45 Å²	45	28.1 Å²	28.1	24%	0.241	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	0.1	179.8	69.4	-25.9	0	0	0	113.7	L402 C452 A481 T482	L402-N454 HydrophobicContact CD1-CB 4.03Å; L402-N454 HydrophobicContact CD2-CB 3.79Å; L402-N454 HydrophobicContact CG-CB 3.99Å; C452-N454 PolarHBondContact O-N 2.96Å; C452-N454 VanDerWaalsContact O-N 3.15Å; N454-A481 WeakPolarHBondContact O-CB 3.46Å; N454-A481 PolarHBondContact O-N 2.74Å; N454-T482 PolarHBondContact ND2-OG1 3.47Å; N454-T482 VanDerWaalsContact ND2-OG1 3.15Å
455	V	96.9	Very high	90.5	Very high	15 Å²	15	34 Å²	34	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.6	-179.8	178.5	0	0	0	0	109.7	A451 C452 Y457 K478 Y479	A451-V455 CarbonylContact C-O 3.53Å; A451-V455 WeakPolarHBondContact CA-O 3.22Å; C452-V455 PolarHBondContact N-O 2.96Å; C452-V455 PolarHBondContact O-N 3.36Å; V455-Y457 HydrophobicContact CB-CE2 4.24Å; V455-Y457 HydrophobicContact CG1-CD1 4.38Å; V455-Y457 HydrophobicContact CG1-CD2 4.03Å; V455-Y457 HydrophobicContact CG1-CE1 3.95Å; V455-Y457 HydrophobicContact CG1-CE2 3.58Å; V455-Y457 HydrophobicContact CG1-CG 4.41Å; V455-K478 HydrophobicContact CG1-CD 3.96Å; V455-K478 VanDerWaalsContact CG1-CE 3.5Å; V455-K478 HydrophobicContact CG1-CG 3.38Å; V455-Y479 CarbonylContact C-O 3.57Å; V455-Y479 WeakPolarHBondContact CA-O 3.18Å
456	I	98.1	Very high	89.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.1	169.6	-54.2	175.7	0	0	0	108.1	V399 A401 F406 I408 A449 A451 V458 K478 Y479	V399-I456 HydrophobicContact CG1-CD1 4.03Å; V399-I456 HydrophobicContact CG1-CG1 4.4Å; V399-I456 HydrophobicContact CG1-CG2 3.69Å; A401-I456 HydrophobicContact CB-CD1 3.83Å; A401-I456 HydrophobicContact CB-CG1 3.67Å; F406-I456 HydrophobicContact CB-CD1 3.98Å; F406-I456 HydrophobicContact CD1-CD1 3.95Å; F406-I456 HydrophobicContact CD2-CD1 3.54Å; F406-I456 HydrophobicContact CE1-CD1 4.34Å; F406-I456 HydrophobicContact CE2-CD1 3.96Å; F406-I456 HydrophobicContact CG-CD1 3.53Å; F406-I456 HydrophobicContact CZ-CD1 4.35Å; I408-I456 HydrophobicContact CD1-CG2 3.94Å; A449-I456 HydrophobicContact CB-CG2 4.29Å; A451-I456 HydrophobicContact CB-CG1 4.49Å; I456-V458 HydrophobicContact CG2-CG2 3.87Å; I456-K478 CarbonylContact O-C 3.55Å; I456-Y479 HydrophobicContact CB-CD1 4.36Å; I456-Y479 HydrophobicContact CD1-CD1 3.92Å; I456-Y479 HydrophobicContact CD1-CE1 4.39Å; I456-Y479 HydrophobicContact CG1-CD1 4.3Å; I456-Y479 PolarHBondContact N-O 2.86Å; I456-Y479 PolarHBondContact O-N 3.05Å
457	Y	96.6	Very high	88.2	Confident	6 Å²	6	40.2 Å²	40.2	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.9	170.3	-68.6	-74.9	0	0	0	108.9	A449 S450 C452 V455 F476 F477 K478 L489 L511 F524 P526	A449-Y457 CarbonylContact C-O 3.55Å; A449-Y457 VanDerWaalsContact CA-O 3.23Å; A449-Y457 WeakPolarHBondContact CA-O 3.41Å; S450-Y457 PolarHBondContact N-O 3.42Å; S450-Y457 PolarHBondContact O-N 3.01Å; C452-Y457 HydrophobicContact CB-CD2 4.46Å; C452-Y457 HydrophobicContact CB-CE2 4.05Å; V455-Y457 HydrophobicContact CB-CE2 4.24Å; V455-Y457 HydrophobicContact CG1-CD1 4.38Å; V455-Y457 HydrophobicContact CG1-CD2 4.03Å; V455-Y457 HydrophobicContact CG1-CE1 3.95Å; V455-Y457 HydrophobicContact CG1-CE2 3.58Å; V455-Y457 HydrophobicContact CG1-CG 4.41Å; Y457-F476 AromaticContact CD1-CE2 3.72Å; Y457-F476 HydrophobicContact CD1-CE2 3.72Å; Y457-F476 AromaticContact CD1-CZ 3.77Å; Y457-F476 HydrophobicContact CD1-CZ 3.77Å; Y457-F476 HydrophobicContact CE1-CZ 4.34Å; Y457-F476 HydrophobicContact CG-CE2 4.27Å; Y457-F477 WeakPolarHBondContact CA-O 3.45Å; Y457-K478 HydrophobicContact CD1-CB 4.24Å; Y457-K478 HydrophobicContact CD1-CG 4.25Å; Y457-K478 HydrophobicContact CE1-CB 4.14Å; Y457-K478 HydrophobicContact CE1-CD 4.05Å; Y457-K478 HydrophobicContact CE1-CG 3.83Å; Y457-L489 HydrophobicContact CD1-CD1 4.14Å; Y457-L489 HydrophobicContact CE1-CD1 3.94Å; Y457-L511 HydrophobicContact CD1-CD2 4.06Å; Y457-L511 HydrophobicContact CD2-CB 4.06Å; Y457-L511 HydrophobicContact CD2-CD1 4.41Å; Y457-L511 HydrophobicContact CD2-CD2 3.87Å; Y457-L511 HydrophobicContact CD2-CG 4.35Å; Y457-L511 HydrophobicContact CE2-CB 4.25Å; Y457-L511 HydrophobicContact CG-CD2 3.61Å; Y457-F524 HydrophobicContact CD1-CE1 4.45Å; Y457-F524 HydrophobicContact CE1-CD1 4.02Å; Y457-F524 AromaticContact CE1-CE1 3.66Å; Y457-F524 HydrophobicContact CE1-CE1 3.66Å; Y457-P526 WeakPolarHBondContact OH-CB 3.38Å; Y457-P526 WeakPolarHBondContact OH-CG 3.28Å
458	V	95.8	Very high	87	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.4	-178.7	-171.5	0	0	0	0	109.1	I408 I444 P447 E448 A449 I456 F477 W486	I408-V458 HydrophobicContact CD1-CG2 3.8Å; I408-V458 HydrophobicContact CG2-CG1 4.07Å; I408-V458 HydrophobicContact CG2-CG2 4.3Å; I444-V458 HydrophobicContact CD1-CG1 3.49Å; I444-V458 VanDerWaalsContact CD1-CG1 3.49Å; P447-V458 HydrophobicContact CB-CG1 4.47Å; E448-V458 WeakPolarHBondContact O-CA 3.31Å; A449-V458 HydrophobicContact CB-CG2 4.13Å; I456-V458 HydrophobicContact CG2-CG2 3.87Å; V458-F477 HydrophobicContact CB-CB 4.46Å; V458-F477 PolarHBondContact N-O 2.94Å; V458-F477 PolarHBondContact O-N 2.68Å; V458-W486 HydrophobicContact CB-CZ3 4.38Å; V458-W486 HydrophobicContact CG2-CH2 3.83Å; V458-W486 HydrophobicContact CG2-CZ3 3.9Å
459	L	92.8	Very high	85.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.5	174.7	-60.5	105.2	0	0	0	109.2	P447 E448 C475 F476 F497 I502 A504 I513	P447-L459 CarbonylContact C-O 3.59Å; P447-L459 VanDerWaalsContact CA-O 3.26Å; P447-L459 WeakPolarHBondContact CA-O 3.44Å; E448-L459 PolarHBondContact N-O 2.94Å; E448-L459 PolarHBondContact O-N 3.38Å; L459-C475 WeakPolarHBondContact CA-O 3.03Å; L459-F476 HydrophobicContact CD1-CD2 4.35Å; L459-F476 HydrophobicContact CD1-CE2 4.26Å; L459-F476 HydrophobicContact CD2-CD2 3.98Å; L459-F476 HydrophobicContact CD2-CE2 4.36Å; L459-F476 HydrophobicContact CD2-CG 4.39Å; L459-F476 HydrophobicContact CG-CD2 3.77Å; L459-F476 HydrophobicContact CG-CE2 4.17Å; L459-F497 HydrophobicContact CD2-CD2 4.32Å; L459-F497 HydrophobicContact CD2-CE1 4.15Å; L459-F497 HydrophobicContact CD2-CE2 3.51Å; L459-F497 HydrophobicContact CD2-CZ 3.41Å; L459-F497 VanDerWaalsContact CD2-CZ 3.41Å; L459-I502 HydrophobicContact CB-CD1 3.53Å; L459-I502 HydrophobicContact CD1-CD1 4.38Å; L459-I502 HydrophobicContact CD2-CD1 3.83Å; L459-I502 HydrophobicContact CG-CD1 4.09Å; L459-A504 HydrophobicContact CD1-CB 3.93Å; L459-I513 HydrophobicContact CD1-CD1 4.33Å; L459-I513 HydrophobicContact CD2-CD1 3.43Å; L459-I513 VanDerWaalsContact CD2-CD1 3.43Å; L459-I513 HydrophobicContact CD2-CG1 4.49Å
460	G	90.3	Very high	84.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-172.4	177.8	0	0	0	0	0	110.5	Y445 D474 C475	Y445-G460 WeakPolarHBondContact O-CA 3.46Å; G460-D474 CarbonylContact O-C 3.48Å; G460-D474 WeakPolarHBondContact O-CA 3.22Å; G460-C475 PolarHBondContact N-O 3.06Å; G460-C475 PolarHBondContact O-N 2.88Å
461	S	87.1	Confident	83.2	Confident	12 Å²	12	50.4 Å²	50.4	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.8	177.3	-179.8	0	0	0	0	111.7	I444 Y445 V463 L473	I444-S461 CarbonylContact C-O 3.59Å; I444-S461 VanDerWaalsContact CA-O 3.27Å; I444-S461 WeakPolarHBondContact CA-O 3.35Å; Y445-S461 WeakPolarHBondContact CD2-O 3.48Å; Y445-S461 PolarHBondContact N-O 3.23Å; Y445-S461 PolarHBondContact O-N 2.92Å; S461-V463 WeakPolarHBondContact CB-O 3.28Å; S461-V463 PolarHBondContact O-N 3.19Å; S461-V463 PolarHBondContact OG-N 2.83Å; S461-V463 PolarHBondContact OG-O 2.83Å; S461-V463 VanDerWaalsContact OG-O 3.08Å; S461-L473 CarbonylContact C-O 3.49Å; S461-L473 WeakPolarHBondContact CA-O 3.34Å
462	E	83.7	Confident	82.1	Confident	75 Å²	75	52.6 Å²	52.6	35%	0.35	29%	0.287	S	S	.	.	S	Bend	trans	-68.5	-15.6	172.2	-176.6	166.9	-152.4	0	0	112.6	R442 Y445 L473	R442-E462 WeakPolarHBondContact CD-OE1 2.91Å; R442-E462 VanDerWaalsContact CZ-CD 3.45Å; R442-E462 IonicContact CZ-OE1 3.71Å; R442-E462 IonicContact CZ-OE2 3.03Å; R442-E462 IonicContact NE-OE1 2.74Å; R442-E462 IonicContact NH1-OE1 3.58Å; R442-E462 PolarHBondContact NH1-OE1 2.76Å; R442-E462 IonicContact NH1-OE2 2.92Å; R442-E462 PolarHBondContact NH1-OE2 3.44Å; R442-E462 IonicContact NH2-OE2 3.28Å; Y445-E462 WeakPolarHBondContact CE2-O 3.29Å; E462-L473 PolarHBondContact N-O 2.91Å
463	V	82.1	Confident	81.3	Confident	46 Å²	46	53.7 Å²	53.7	28%	0.279	29%	0.292	S	S	.	.			trans	-131.7	148.4	-176.7	-65.8	0	0	0	0	111.8	Y445 S461 T466 L473	Y445-V463 VanDerWaalsContact CD2-C 3.48Å; S461-V463 WeakPolarHBondContact CB-O 3.28Å; S461-V463 PolarHBondContact O-N 3.19Å; S461-V463 PolarHBondContact OG-N 2.83Å; S461-V463 PolarHBondContact OG-O 2.83Å; S461-V463 VanDerWaalsContact OG-O 3.08Å; V463-T466 HydrophobicContact CB-CG2 4.37Å; V463-T466 HydrophobicContact CG2-CG2 3.21Å; V463-L473 HydrophobicContact CG2-CB 4.21Å; V463-L473 HydrophobicContact CG2-CD1 3.52Å; V463-L473 HydrophobicContact CG2-CG 4.35Å
464	E	76.2	Confident	81	Confident	65 Å²	65	47.8 Å²	47.8	30%	0.304	27%	0.265	S	S	.	.	S	Bend	trans	-81.5	-36.4	-178.8	-167.7	170.6	-158.5	0	0	113.2	K411 Y445 Y446	K411-E464 IonicContact NZ-OE1 2.94Å; K411-E464 PolarHBondContact NZ-OE1 2.89Å; K411-E464 IonicContact NZ-OE2 2.59Å; K411-E464 PolarHBondContact NZ-OE2 2.76Å; Y445-E464 HydrophobicContact CD1-CB 3.48Å; Y445-E464 VanDerWaalsContact CD1-CB 3.48Å; Y445-E464 HydrophobicContact CD1-CG 3.75Å; Y445-E464 HydrophobicContact CD2-CB 4.45Å; Y445-E464 HydrophobicContact CE1-CB 3.66Å; Y445-E464 HydrophobicContact CE1-CG 4.13Å; Y445-E464 HydrophobicContact CG-CB 3.9Å; Y445-E464 HydrophobicContact CG-CG 4.45Å; Y446-E464 HydrophobicContact CE2-CG 4.46Å; Y446-E464 WeakPolarHBondContact CE2-O 3.42Å; Y446-E464 PolarHBondContact OH-O 2.88Å
465	I	72.4	Confident	80.7	Confident	125 Å²	125	45.7 Å²	45.7	64%	0.641	25%	0.254	S	S	*	.			trans	-134.4	130.3	-177.6	-56.3	177	0	0	0	107.7
466	T	66.1	Low	80.5	Confident	51 Å²	51	45.4 Å²	45.4	31%	0.313	25%	0.252	S	S	.	.			trans	-128.3	134.5	170.5	62	0	0	0	0	109.4	V463 A468 L473	V463-T466 HydrophobicContact CB-CG2 4.37Å; V463-T466 HydrophobicContact CG2-CG2 3.21Å; T466-A468 WeakPolarHBondContact CB-O 3.44Å; T466-A468 PolarHBondContact O-N 3.45Å; T466-A468 PolarHBondContact OG1-O 2.58Å; T466-L473 HydrophobicContact CG2-CD1 3.81Å
467	D	61.9	Low	80.3	Confident	174 Å²	174	45.4 Å²	45.4	93%	0.93	25%	0.252	S	S	*	.	S	Bend	trans	-76.7	-12.6	175.8	-64.2	-35.8	0	0	0	112
468	A	67.4	Low	80.2	Confident	69 Å²	69	48 Å²	48	57%	0.57	26%	0.263	S	S	*	.	S	Bend	trans	-144.5	142.2	179.4	0	0	0	0	0	110.5	T466 N470	T466-A468 WeakPolarHBondContact CB-O 3.44Å; T466-A468 PolarHBondContact O-N 3.45Å; T466-A468 PolarHBondContact OG1-O 2.58Å; A468-N470 PolarHBondContact O-N 3.32Å
469	F	69	Low	80.4	Confident	109 Å²	109	48.2 Å²	48.2	48%	0.478	26%	0.264	S	S	.	.			trans	-55.7	113.3	172.8	174.5	-120	0	0	0	109.9	P471 H498	F469-P471 HydrophobicContact CE1-CB 4.33Å; F469-P471 HydrophobicContact CE1-CG 3.87Å; F469-P471 HydrophobicContact CE2-CB 4.22Å; F469-P471 HydrophobicContact CZ-CB 3.82Å; F469-P471 HydrophobicContact CZ-CG 3.89Å; F469-H498 HydrophobicContact CD2-CB 4.15Å; F469-H498 AromaticContact CD2-CD2 3.71Å; F469-H498 HydrophobicContact CE2-CB 4.01Å
470	N	70.9	Confident	80.6	Confident	69 Å²	69	50.3 Å²	50.3	37%	0.369	28%	0.275	S	S	.	.			trans	-128.9	96.6	174.2	-176	8.6	0	0	0	110.1	A468 S472 L473	A468-N470 PolarHBondContact O-N 3.32Å; N470-S472 VanDerWaalsContact CG-OG 3.31Å; N470-S472 PolarHBondContact ND2-OG 3.08Å; N470-S472 PolarHBondContact O-N 3.26Å; N470-S472 VanDerWaalsContact O-N 3.14Å; N470-S472 VanDerWaalsContact OD1-CB 3.32Å; N470-S472 WeakPolarHBondContact OD1-CB 3.31Å; N470-S472 PolarHBondContact OD1-N 3.03Å; N470-S472 VanDerWaalsContact OD1-N 3.08Å; N470-S472 PolarHBondContact OD1-OG 3.23Å; N470-L473 HydrophobicContact CB-CD1 3.84Å; N470-L473 HydrophobicContact CB-CG 4.17Å; N470-L473 WeakPolarHBondContact O-CB 3.38Å; N470-L473 PolarHBondContact O-N 3.48Å
471	P	67	Low	80.9	Confident	30 Å²	30	51.1 Å²	51.1	20%	0.195	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-67	-16.6	-177.6	22.3	-29.8	0	0	0	114	F469 L473 D474 Q495	F469-P471 HydrophobicContact CE1-CB 4.33Å; F469-P471 HydrophobicContact CE1-CG 3.87Å; F469-P471 HydrophobicContact CE2-CB 4.22Å; F469-P471 HydrophobicContact CZ-CB 3.82Å; F469-P471 HydrophobicContact CZ-CG 3.89Å; P471-L473 PolarHBondContact O-N 2.93Å; P471-D474 WeakPolarHBondContact CA-OD2 3.15Å; P471-D474 WeakPolarHBondContact O-CB 3.41Å; P471-D474 PolarHBondContact O-N 3.04Å; P471-Q495 VanDerWaalsContact CB-C 3.48Å; P471-Q495 HydrophobicContact CB-CB 3.48Å; P471-Q495 VanDerWaalsContact CB-CB 3.48Å; P471-Q495 WeakPolarHBondContact CB-O 3.4Å; P471-Q495 VanDerWaalsContact CG-O 3.3Å; P471-Q495 WeakPolarHBondContact CG-O 3.42Å; P471-Q495 WeakPolarHBondContact O-CB 3.31Å; P471-Q495 VanDerWaalsContact O-CG 3.3Å; P471-Q495 WeakPolarHBondContact O-CG 3.38Å; P471-Q495 PolarHBondContact O-NE2 2.76Å; P471-Q495 PolarHBondContact O-OE1 3.11Å
472	S	72.6	Confident	81.4	Confident	65 Å²	65	55 Å²	55	46%	0.455	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-60	-15	174.2	86.7	0	0	0	0	114.2	N470	N470-S472 VanDerWaalsContact CG-OG 3.31Å; N470-S472 PolarHBondContact ND2-OG 3.08Å; N470-S472 PolarHBondContact O-N 3.26Å; N470-S472 VanDerWaalsContact O-N 3.14Å; N470-S472 VanDerWaalsContact OD1-CB 3.32Å; N470-S472 WeakPolarHBondContact OD1-CB 3.31Å; N470-S472 PolarHBondContact OD1-N 3.03Å; N470-S472 VanDerWaalsContact OD1-N 3.08Å; N470-S472 PolarHBondContact OD1-OG 3.23Å
473	L	78.1	Confident	82	Confident	33 Å²	33	55.2 Å²	55.2	17%	0.173	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-94	-11.9	-179	-55.6	174.4	0	0	0	112	S461 E462 V463 T466 N470 P471 C475	S461-L473 CarbonylContact C-O 3.49Å; S461-L473 WeakPolarHBondContact CA-O 3.34Å; E462-L473 PolarHBondContact N-O 2.91Å; V463-L473 HydrophobicContact CG2-CB 4.21Å; V463-L473 HydrophobicContact CG2-CD1 3.52Å; V463-L473 HydrophobicContact CG2-CG 4.35Å; T466-L473 HydrophobicContact CG2-CD1 3.81Å; N470-L473 HydrophobicContact CB-CD1 3.84Å; N470-L473 HydrophobicContact CB-CG 4.17Å; N470-L473 WeakPolarHBondContact O-CB 3.38Å; N470-L473 PolarHBondContact O-N 3.48Å; P471-L473 PolarHBondContact O-N 2.93Å; L473-C475 PolarHBondContact O-N 2.78Å
474	D	82.3	Confident	82.8	Confident	14 Å²	14	55.6 Å²	55.6	8%	0.075	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.3	177.3	-58.9	-48.7	0	0	0	110.2	G460 P471 Q495 F497 A499	G460-D474 CarbonylContact O-C 3.48Å; G460-D474 WeakPolarHBondContact O-CA 3.22Å; P471-D474 WeakPolarHBondContact CA-OD2 3.15Å; P471-D474 WeakPolarHBondContact O-CB 3.41Å; P471-D474 PolarHBondContact O-N 3.04Å; D474-Q495 PolarHBondContact O-NE2 3.16Å; D474-F497 HydrophobicContact CB-CD2 4.45Å; D474-F497 HydrophobicContact CB-CE2 3.85Å; D474-F497 HydrophobicContact CB-CZ 4.33Å; D474-F497 VanDerWaalsContact CG-O 3.25Å; D474-A499 PolarHBondContact OD1-N 2.78Å
475	C	88.3	Confident	83.8	Confident	1 Å²	1	58 Å²	58	1%	0.007	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.4	178.7	-60.2	0	0	0	0	108.9	R442 I444 L459 G460 L473 F477	R442-C475 PolarHBondContact NH2-SG 3.12Å; I444-C475 HydrophobicContact CG2-CB 3.7Å; L459-C475 WeakPolarHBondContact CA-O 3.03Å; G460-C475 PolarHBondContact N-O 3.06Å; G460-C475 PolarHBondContact O-N 2.88Å; L473-C475 PolarHBondContact O-N 2.78Å; C475-F477 HydrophobicContact CB-CD2 4.21Å; C475-F477 HydrophobicContact CB-CE2 3.55Å; C475-F477 HydrophobicContact CB-CZ 3.96Å
476	F	91.4	Very high	85.1	Confident	10 Å²	10	53.5 Å²	53.5	4%	0.044	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.4	172.5	-176.5	-153	0	0	0	109.8	Y457 L459 L489 L511 F524 W531	Y457-F476 AromaticContact CD1-CE2 3.72Å; Y457-F476 HydrophobicContact CD1-CE2 3.72Å; Y457-F476 AromaticContact CD1-CZ 3.77Å; Y457-F476 HydrophobicContact CD1-CZ 3.77Å; Y457-F476 HydrophobicContact CE1-CZ 4.34Å; Y457-F476 HydrophobicContact CG-CE2 4.27Å; L459-F476 HydrophobicContact CD1-CD2 4.35Å; L459-F476 HydrophobicContact CD1-CE2 4.26Å; L459-F476 HydrophobicContact CD2-CD2 3.98Å; L459-F476 HydrophobicContact CD2-CE2 4.36Å; L459-F476 HydrophobicContact CD2-CG 4.39Å; L459-F476 HydrophobicContact CG-CD2 3.77Å; L459-F476 HydrophobicContact CG-CE2 4.17Å; F476-L489 HydrophobicContact CB-CB 4.42Å; F476-L489 HydrophobicContact CD1-CB 3.52Å; F476-L489 HydrophobicContact CD1-CD1 3.92Å; F476-L489 HydrophobicContact CD1-CG 4.36Å; F476-L489 HydrophobicContact CD2-CD1 4.48Å; F476-L489 HydrophobicContact CE1-CB 3.93Å; F476-L489 HydrophobicContact CE1-CD1 3.5Å; F476-L489 HydrophobicContact CE1-CG 4.39Å; F476-L489 HydrophobicContact CE2-CD1 4.13Å; F476-L489 HydrophobicContact CG-CB 4Å; F476-L489 HydrophobicContact CG-CD1 4.39Å; F476-L489 HydrophobicContact CZ-CD1 3.62Å; F476-L489 PolarHBondContact O-N 3.1Å; F476-L511 HydrophobicContact CE2-CD2 4.08Å; F476-L511 HydrophobicContact CZ-CD2 3.87Å; F476-F524 HydrophobicContact CE1-CD2 4.12Å; F476-F524 HydrophobicContact CE1-CE1 4.17Å; F476-F524 AromaticContact CE1-CE2 3.69Å; F476-F524 HydrophobicContact CE1-CE2 3.69Å; F476-F524 AromaticContact CE1-CZ 3.72Å; F476-F524 HydrophobicContact CE1-CZ 3.72Å; F476-F524 HydrophobicContact CZ-CD1 4.21Å; F476-F524 HydrophobicContact CZ-CD2 4.41Å; F476-F524 HydrophobicContact CZ-CE1 4.03Å; F476-F524 HydrophobicContact CZ-CE2 4.25Å; F476-F524 HydrophobicContact CZ-CG 4.41Å; F476-F524 HydrophobicContact CZ-CZ 4.06Å; F476-W531 HydrophobicContact CD1-CZ2 4.43Å; F476-W531 AromaticContact CE1-CZ2 3.71Å; F476-W531 HydrophobicContact CE1-CZ2 3.71Å; F476-W531 HydrophobicContact CZ-CH2 4.4Å; F476-W531 AromaticContact CZ-CZ2 3.78Å; F476-W531 HydrophobicContact CZ-CZ2 3.78Å
477	F	94.1	Very high	86.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.7	-177.6	-60.8	-64.8	0	0	0	111.3	L440 P441 R442 I444 Y457 V458 C475 W486 S487 E488	L440-F477 HydrophobicContact CD2-CD2 4.35Å; P441-F477 HydrophobicContact CB-CE1 4.02Å; P441-F477 HydrophobicContact CB-CZ 4.47Å; P441-F477 HydrophobicContact CG-CD1 4.01Å; P441-F477 HydrophobicContact CG-CE1 3.99Å; R442-F477 HydrophobicContact CB-CZ 4.27Å; I444-F477 HydrophobicContact CG2-CD2 4.47Å; I444-F477 HydrophobicContact CG2-CE2 3.69Å; Y457-F477 WeakPolarHBondContact CA-O 3.45Å; V458-F477 HydrophobicContact CB-CB 4.46Å; V458-F477 PolarHBondContact N-O 2.94Å; V458-F477 PolarHBondContact O-N 2.68Å; C475-F477 HydrophobicContact CB-CD2 4.21Å; C475-F477 HydrophobicContact CB-CE2 3.55Å; C475-F477 HydrophobicContact CB-CZ 3.96Å; F477-W486 HydrophobicContact CB-CE3 3.76Å; F477-W486 HydrophobicContact CB-CZ3 3.7Å; F477-W486 HydrophobicContact CG-CE3 4.46Å; F477-S487 WeakPolarHBondContact CA-O 3.44Å; F477-E488 HydrophobicContact CD1-CB 4Å; F477-E488 HydrophobicContact CD1-CG 4.12Å; F477-E488 HydrophobicContact CE1-CB 3.92Å; F477-E488 HydrophobicContact CE1-CG 3.78Å
478	K	95.8	Very high	87.9	Confident	61 Å²	61	51.5 Å²	51.5	27%	0.265	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.5	170.2	-177.1	-175.5	175.2	177.2	0	108.6	V455 I456 Y457 W486 S487 L489	V455-K478 HydrophobicContact CG1-CD 3.96Å; V455-K478 VanDerWaalsContact CG1-CE 3.5Å; V455-K478 HydrophobicContact CG1-CG 3.38Å; I456-K478 CarbonylContact O-C 3.55Å; Y457-K478 HydrophobicContact CD1-CB 4.24Å; Y457-K478 HydrophobicContact CD1-CG 4.25Å; Y457-K478 HydrophobicContact CE1-CB 4.14Å; Y457-K478 HydrophobicContact CE1-CD 4.05Å; Y457-K478 HydrophobicContact CE1-CG 3.83Å; K478-W486 CarbonylContact O-C 3.59Å; K478-W486 WeakPolarHBondContact O-CA 3.13Å; K478-S487 PolarHBondContact N-O 2.87Å; K478-S487 PolarHBondContact O-N 3.45Å; K478-L489 HydrophobicContact CB-CD1 3.8Å; K478-L489 HydrophobicContact CB-CD2 4.4Å; K478-L489 HydrophobicContact CB-CG 4.03Å
479	Y	98.1	Very high	88.9	Confident	3 Å²	3	49.4 Å²	49.4	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.4	173	176	-104.4	0	0	0	110.1	F406 V437 V455 I456 A481 D484 Q485 W486	F406-Y479 HydrophobicContact CD1-CE1 4.2Å; F406-Y479 AromaticContact CE1-CE1 3.61Å; F406-Y479 HydrophobicContact CE1-CE1 3.61Å; F406-Y479 HydrophobicContact CZ-CE1 4.16Å; V437-Y479 WeakPolarHBondContact CB-OH 3.19Å; V455-Y479 CarbonylContact C-O 3.57Å; V455-Y479 WeakPolarHBondContact CA-O 3.18Å; I456-Y479 HydrophobicContact CB-CD1 4.36Å; I456-Y479 HydrophobicContact CD1-CD1 3.92Å; I456-Y479 HydrophobicContact CD1-CE1 4.39Å; I456-Y479 HydrophobicContact CG1-CD1 4.3Å; I456-Y479 PolarHBondContact N-O 2.86Å; I456-Y479 PolarHBondContact O-N 3.05Å; Y479-A481 HydrophobicContact CD1-CB 4.27Å; Y479-A481 VanDerWaalsContact CE1-CA 3.49Å; Y479-A481 HydrophobicContact CE1-CB 3.88Å; Y479-D484 WeakPolarHBondContact CE2-OD1 3.5Å; Y479-D484 PolarHBondContact OH-OD1 2.87Å; Y479-Q485 WeakPolarHBondContact CA-O 3.37Å; Y479-Q485 WeakPolarHBondContact CD2-O 3.49Å; Y479-W486 AromaticContact CD2-CD1 3.73Å; Y479-W486 AromaticContact CD2-CD2 3.69Å; Y479-W486 HydrophobicContact CD2-CD2 3.69Å; Y479-W486 AromaticContact CD2-CE2 3.34Å; Y479-W486 HydrophobicContact CD2-CE3 4.39Å; Y479-W486 AromaticContact CD2-CG 3.9Å; Y479-W486 HydrophobicContact CD2-CG 3.9Å; Y479-W486 HydrophobicContact CD2-CH2 4.45Å; Y479-W486 AromaticContact CD2-CZ2 3.74Å; Y479-W486 HydrophobicContact CD2-CZ2 3.74Å; Y479-W486 AromaticContact CD2-NE1 3.37Å; Y479-W486 HydrophobicContact CE2-CZ2 4.49Å; Y479-W486 AromaticContact CE2-NE1 3.73Å; Y479-W486 HydrophobicContact CG-CD2 4.18Å; Y479-W486 AromaticContact CG-CE2 3.87Å; Y479-W486 HydrophobicContact CG-CE3 4.46Å; Y479-W486 HydrophobicContact CG-CH2 4.16Å; Y479-W486 AromaticContact CG-CZ2 3.84Å; Y479-W486 HydrophobicContact CG-CZ2 3.84Å; Y479-W486 HydrophobicContact CG-CZ3 4.48Å
480	N	97.6	Very high	89.4	Confident	44 Å²	44	50.1 Å²	50.1	24%	0.235	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	109	172.1	-177.9	-33.8	0	0	0	108.9	T482 T483 D484 Q485	N480-T482 PolarHBondContact O-N 2.64Å; N480-T482 WeakPolarHBondContact OD1-CA 3.38Å; N480-T482 VanDerWaalsContact OD1-CB 3.31Å; N480-T482 WeakPolarHBondContact OD1-CB 3.4Å; N480-T482 PolarHBondContact OD1-N 2.74Å; N480-T483 VanDerWaalsContact CB-OG1 3.32Å; N480-T483 WeakPolarHBondContact CB-OG1 3.19Å; N480-T483 PolarHBondContact O-N 2.73Å; N480-T483 PolarHBondContact OD1-N 2.96Å; N480-T483 VanDerWaalsContact OD1-N 3.08Å; N480-T483 PolarHBondContact OD1-OG1 3.31Å; N480-D484 WeakPolarHBondContact O-CA 3.39Å; N480-D484 PolarHBondContact O-N 3.03Å; N480-Q485 PolarHBondContact N-O 3.04Å; N480-Q485 PolarHBondContact O-N 2.75Å
481	A	97.1	Very high	89.1	Confident	17 Å²	17	47.6 Å²	47.6	14%	0.14	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.7	-176.6	0	0	0	0	0	113.8	A401 L402 F406 N454 Y479	A401-A481 HydrophobicContact CB-CB 4.49Å; L402-A481 HydrophobicContact CD1-CB 3.72Å; L402-A481 HydrophobicContact CG-CB 4.25Å; F406-A481 HydrophobicContact CE2-CB 4.39Å; F406-A481 HydrophobicContact CZ-CB 3.97Å; N454-A481 WeakPolarHBondContact O-CB 3.46Å; N454-A481 PolarHBondContact O-N 2.74Å; Y479-A481 HydrophobicContact CD1-CB 4.27Å; Y479-A481 VanDerWaalsContact CE1-CA 3.49Å; Y479-A481 HydrophobicContact CE1-CB 3.88Å
482	T	97.2	Very high	88.8	Confident	94 Å²	94	54.1 Å²	54.1	58%	0.577	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-43.8	175.2	-50.5	0	0	0	0	111.4	N454 N480	N454-T482 PolarHBondContact ND2-OG1 3.47Å; N454-T482 VanDerWaalsContact ND2-OG1 3.15Å; N480-T482 PolarHBondContact O-N 2.64Å; N480-T482 WeakPolarHBondContact OD1-CA 3.38Å; N480-T482 VanDerWaalsContact OD1-CB 3.31Å; N480-T482 WeakPolarHBondContact OD1-CB 3.4Å; N480-T482 PolarHBondContact OD1-N 2.74Å
483	T	97.5	Very high	87.8	Confident	79 Å²	79	57.8 Å²	57.8	49%	0.485	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.9	-176.6	62.2	0	0	0	0	113.4	N480	N480-T483 VanDerWaalsContact CB-OG1 3.32Å; N480-T483 WeakPolarHBondContact CB-OG1 3.19Å; N480-T483 PolarHBondContact O-N 2.73Å; N480-T483 PolarHBondContact OD1-N 2.96Å; N480-T483 VanDerWaalsContact OD1-N 3.08Å; N480-T483 PolarHBondContact OD1-OG1 3.31Å
484	D	97.8	Very high	86.6	Confident	54 Å²	54	57.7 Å²	57.7	29%	0.289	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	57	-173.8	-174.3	12.6	0	0	0	111.1	S438 Y479 N480	S438-D484 WeakPolarHBondContact CA-OD1 3.36Å; S438-D484 WeakPolarHBondContact CB-OD1 3.45Å; S438-D484 PolarHBondContact N-OD1 2.94Å; S438-D484 PolarHBondContact N-OD2 3.28Å; S438-D484 PolarHBondContact OG-O 2.75Å; S438-D484 PolarHBondContact OG-OD1 3Å; S438-D484 PolarHBondContact OG-OD2 3.47Å; Y479-D484 WeakPolarHBondContact CE2-OD1 3.5Å; Y479-D484 PolarHBondContact OH-OD1 2.87Å; N480-D484 WeakPolarHBondContact O-CA 3.39Å; N480-D484 PolarHBondContact O-N 3.03Å
485	Q	98.1	Very high	85.4	Confident	115 Å²	115	61.1 Å²	61.1	54%	0.537	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.1	-177	-67.3	-60.7	-54.4	0	0	112	Y479 N480	Y479-Q485 WeakPolarHBondContact CA-O 3.37Å; Y479-Q485 WeakPolarHBondContact CD2-O 3.49Å; N480-Q485 PolarHBondContact N-O 3.04Å; N480-Q485 PolarHBondContact O-N 2.75Å
486	W	98.1	Very high	84	Confident	32 Å²	32	67.3 Å²	67.3	12%	0.121	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	150.9	174.1	-71.6	95.2	0	0	0	111.9	I408 V424 S438 P439 L440 P441 V458 F477 K478 Y479	I408-W486 HydrophobicContact CD1-CH2 4.46Å; I408-W486 HydrophobicContact CG2-CH2 4.41Å; V424-W486 HydrophobicContact CG2-CZ2 3.98Å; S438-W486 PolarHBondContact O-NE1 3.29Å; P439-W486 PolarHBondContact O-NE1 3.28Å; L440-W486 HydrophobicContact CD2-CE3 4.3Å; L440-W486 HydrophobicContact CD2-CH2 3.53Å; L440-W486 HydrophobicContact CD2-CZ2 3.89Å; L440-W486 HydrophobicContact CD2-CZ3 3.74Å; L440-W486 HydrophobicContact CG-CH2 4.43Å; L440-W486 HydrophobicContact CG-CZ2 4.36Å; P441-W486 HydrophobicContact CG-CB 3.62Å; P441-W486 HydrophobicContact CG-CD2 4.46Å; P441-W486 HydrophobicContact CG-CG 4.04Å; V458-W486 HydrophobicContact CB-CZ3 4.38Å; V458-W486 HydrophobicContact CG2-CH2 3.83Å; V458-W486 HydrophobicContact CG2-CZ3 3.9Å; F477-W486 HydrophobicContact CB-CE3 3.76Å; F477-W486 HydrophobicContact CB-CZ3 3.7Å; F477-W486 HydrophobicContact CG-CE3 4.46Å; K478-W486 CarbonylContact O-C 3.59Å; K478-W486 WeakPolarHBondContact O-CA 3.13Å; Y479-W486 AromaticContact CD2-CD1 3.73Å; Y479-W486 AromaticContact CD2-CD2 3.69Å; Y479-W486 HydrophobicContact CD2-CD2 3.69Å; Y479-W486 AromaticContact CD2-CE2 3.34Å; Y479-W486 HydrophobicContact CD2-CE3 4.39Å; Y479-W486 AromaticContact CD2-CG 3.9Å; Y479-W486 HydrophobicContact CD2-CG 3.9Å; Y479-W486 HydrophobicContact CD2-CH2 4.45Å; Y479-W486 AromaticContact CD2-CZ2 3.74Å; Y479-W486 HydrophobicContact CD2-CZ2 3.74Å; Y479-W486 AromaticContact CD2-NE1 3.37Å; Y479-W486 HydrophobicContact CE2-CZ2 4.49Å; Y479-W486 AromaticContact CE2-NE1 3.73Å; Y479-W486 HydrophobicContact CG-CD2 4.18Å; Y479-W486 AromaticContact CG-CE2 3.87Å; Y479-W486 HydrophobicContact CG-CE3 4.46Å; Y479-W486 HydrophobicContact CG-CH2 4.16Å; Y479-W486 AromaticContact CG-CZ2 3.84Å; Y479-W486 HydrophobicContact CG-CZ2 3.84Å; Y479-W486 HydrophobicContact CG-CZ3 4.48Å
487	S	95.3	Very high	82.8	Confident	66 Å²	66	67.7 Å²	67.7	46%	0.462	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135.2	168.8	-59.5	0	0	0	0	108.8	F477 K478	F477-S487 WeakPolarHBondContact CA-O 3.44Å; K478-S487 PolarHBondContact N-O 2.87Å; K478-S487 PolarHBondContact O-N 3.45Å
488	E	91.8	Very high	81.8	Confident	116 Å²	116	70.3 Å²	70.3	54%	0.542	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.3	170.8	-172.6	168.7	-164.2	0	0	109.3	R442 F477	R442-E488 IonicContact NH2-OE1 3.67Å; F477-E488 HydrophobicContact CD1-CB 4Å; F477-E488 HydrophobicContact CD1-CG 4.12Å; F477-E488 HydrophobicContact CE1-CB 3.92Å; F477-E488 HydrophobicContact CE1-CG 3.78Å
489	L	88.8	Confident	80.6	Confident	26 Å²	26	67.6 Å²	67.6	14%	0.136	36%	0.357	C	S	.	.			trans	-110.4	135.9	179.7	-62.6	-178.5	0	0	0	109.3	Y457 F476 K478 F524	Y457-L489 HydrophobicContact CD1-CD1 4.14Å; Y457-L489 HydrophobicContact CE1-CD1 3.94Å; F476-L489 HydrophobicContact CB-CB 4.42Å; F476-L489 HydrophobicContact CD1-CB 3.52Å; F476-L489 HydrophobicContact CD1-CD1 3.92Å; F476-L489 HydrophobicContact CD1-CG 4.36Å; F476-L489 HydrophobicContact CD2-CD1 4.48Å; F476-L489 HydrophobicContact CE1-CB 3.93Å; F476-L489 HydrophobicContact CE1-CD1 3.5Å; F476-L489 HydrophobicContact CE1-CG 4.39Å; F476-L489 HydrophobicContact CE2-CD1 4.13Å; F476-L489 HydrophobicContact CG-CB 4Å; F476-L489 HydrophobicContact CG-CD1 4.39Å; F476-L489 HydrophobicContact CZ-CD1 3.62Å; F476-L489 PolarHBondContact O-N 3.1Å; K478-L489 HydrophobicContact CB-CD1 3.8Å; K478-L489 HydrophobicContact CB-CD2 4.4Å; K478-L489 HydrophobicContact CB-CG 4.03Å; L489-F524 HydrophobicContact CD1-CE1 4.03Å; L489-F524 HydrophobicContact CD1-CZ 3.84Å
490	V	79.8	Confident	79.5	Confident	123 Å²	123	70.2 Å²	70.2	75%	0.745	37%	0.373	S	S	*	.			trans	-122.7	109.4	171.7	-176.9	0	0	0	0	106.3
491	A	65.7	Low	78.8	Confident	17 Å²	17	69.3 Å²	69.3	14%	0.14	37%	0.368	C	S	.	.			trans	-88.4	130.2	-178.7	0	0	0	0	0	110.9	F493 G494 C529	A491-F493 PolarHBondContact O-N 2.81Å; A491-F493 VanDerWaalsContact O-N 3.12Å; A491-G494 PolarHBondContact O-N 3.4Å; A491-G494 VanDerWaalsContact O-N 3.16Å; A491-C529 VanDerWaalsContact CA-O 3.3Å; A491-C529 WeakPolarHBondContact CA-O 3.48Å; A491-C529 WeakPolarHBondContact CB-O 3.37Å
492	E	58.8	Low	78.4	Confident	167 Å²	167	68.7 Å²	68.7	78%	0.78	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.3	-170.8	-67.5	-171.3	154.8	0	0	114.2	G494	E492-G494 VanDerWaalsContact C-N 3.27Å; E492-G494 PolarHBondContact O-N 3.33Å
493	F	52.3	Low	78.2	Confident	142 Å²	142	67.1 Å²	67.1	62%	0.623	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	21.9	177.1	-97.4	-85.6	0	0	0	114.1	A491 F496 V530	A491-F493 PolarHBondContact O-N 2.81Å; A491-F493 VanDerWaalsContact O-N 3.12Å; F493-F496 WeakPolarHBondContact O-CD2 3.23Å; F493-F496 WeakPolarHBondContact O-CE2 3.28Å; F493-V530 HydrophobicContact CD2-CG1 3.97Å; F493-V530 HydrophobicContact CE2-CG1 4.44Å
494	G	52.1	Low	78	Confident	31 Å²	31	63.7 Å²	63.7	32%	0.32	33%	0.327	S	S	.	.			trans	81.7	140.7	166	0	0	0	0	0	114.6	A491 E492 F496	A491-G494 PolarHBondContact O-N 3.4Å; A491-G494 VanDerWaalsContact O-N 3.16Å; E492-G494 VanDerWaalsContact C-N 3.27Å; E492-G494 PolarHBondContact O-N 3.33Å; G494-F496 WeakPolarHBondContact O-CD2 3.44Å; G494-F496 PolarHBondContact O-N 3.21Å; G494-F496 VanDerWaalsContact O-N 3.11Å
495	Q	57.5	Low	77.9	Confident	86 Å²	86	61.3 Å²	61.3	40%	0.402	32%	0.315	S	S	.	.			trans	-63.9	105.3	165.2	-65.2	153.2	-42.3	0	0	106.8	P471 D474	P471-Q495 VanDerWaalsContact CB-C 3.48Å; P471-Q495 HydrophobicContact CB-CB 3.48Å; P471-Q495 VanDerWaalsContact CB-CB 3.48Å; P471-Q495 WeakPolarHBondContact CB-O 3.4Å; P471-Q495 VanDerWaalsContact CG-O 3.3Å; P471-Q495 WeakPolarHBondContact CG-O 3.42Å; P471-Q495 WeakPolarHBondContact O-CB 3.31Å; P471-Q495 VanDerWaalsContact O-CG 3.3Å; P471-Q495 WeakPolarHBondContact O-CG 3.38Å; P471-Q495 PolarHBondContact O-NE2 2.76Å; P471-Q495 PolarHBondContact O-OE1 3.11Å; D474-Q495 PolarHBondContact O-NE2 3.16Å
496	F	58.5	Low	77.7	Confident	130 Å²	130	58.1 Å²	58.1	57%	0.57	30%	0.304	S	S	*	.			trans	-122.4	-0.6	-178.1	-75.9	-57.4	0	0	0	113.3	F493 G494	F493-F496 WeakPolarHBondContact O-CD2 3.23Å; F493-F496 WeakPolarHBondContact O-CE2 3.28Å; G494-F496 WeakPolarHBondContact O-CD2 3.44Å; G494-F496 PolarHBondContact O-N 3.21Å; G494-F496 VanDerWaalsContact O-N 3.11Å
497	F	66.6	Low	77.5	Confident	19 Å²	19	56.7 Å²	56.7	8%	0.083	30%	0.298	C	S	.	.	S	Bend	trans	-109	133.8	-172.8	51.5	-96.3	0	0	0	110.4	L459 D474 A499 I502 I513	L459-F497 HydrophobicContact CD2-CD2 4.32Å; L459-F497 HydrophobicContact CD2-CE1 4.15Å; L459-F497 HydrophobicContact CD2-CE2 3.51Å; L459-F497 HydrophobicContact CD2-CZ 3.41Å; L459-F497 VanDerWaalsContact CD2-CZ 3.41Å; D474-F497 HydrophobicContact CB-CD2 4.45Å; D474-F497 HydrophobicContact CB-CE2 3.85Å; D474-F497 HydrophobicContact CB-CZ 4.33Å; D474-F497 VanDerWaalsContact CG-O 3.25Å; F497-A499 PolarHBondContact O-N 3.12Å; F497-I502 HydrophobicContact CB-CG2 3.44Å; F497-I502 VanDerWaalsContact CB-CG2 3.44Å; F497-I502 HydrophobicContact CD2-CD1 3.87Å; F497-I502 HydrophobicContact CD2-CG2 4.12Å; F497-I502 HydrophobicContact CE2-CD1 4.19Å; F497-I502 HydrophobicContact CG-CG2 4.04Å; F497-I513 HydrophobicContact CD1-CD1 4.44Å; F497-I513 HydrophobicContact CE1-CD1 4.37Å
498	H	73.2	Confident	77.2	Confident	54 Å²	54	58.6 Å²	58.6	25%	0.25	30%	0.303	C	S	.	.			trans	-77	116.4	170.2	-167.7	-75.5	0	0	0	108	F469 T500 L501	F469-H498 HydrophobicContact CD2-CB 4.15Å; F469-H498 AromaticContact CD2-CD2 3.71Å; F469-H498 HydrophobicContact CE2-CB 4.01Å; H498-T500 PolarHBondContact CE1-OG1 3.34Å; H498-T500 PolarHBondContact ND1-N 3.26Å; H498-T500 PolarHBondContact ND1-OG1 3.16Å; H498-T500 PolarHBondContact O-N 2.89Å; H498-L501 HydrophobicContact CB-CB 4.28Å; H498-L501 HydrophobicContact CB-CD1 4.2Å; H498-L501 HydrophobicContact CB-CG 4.36Å; H498-L501 CarbonylContact O-C 3.47Å; H498-L501 WeakPolarHBondContact O-CA 3.44Å; H498-L501 PolarHBondContact O-N 3.04Å
499	A	71.4	Confident	76.9	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.041	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-51.6	-28.4	-174.6	0	0	0	0	0	114.9	D474 F497 L501 I502	D474-A499 PolarHBondContact OD1-N 2.78Å; F497-A499 PolarHBondContact O-N 3.12Å; A499-L501 VanDerWaalsContact C-N 3.29Å; A499-L501 PolarHBondContact O-N 3.02Å; A499-I502 WeakPolarHBondContact O-CG1 3.45Å
500	T	74.8	Confident	77.1	Confident	58 Å²	58	57.5 Å²	57.5	36%	0.356	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-77.9	-10.2	176.7	76.9	0	0	0	0	114.5	Y446 H498	Y446-T500 HydrophobicContact CD1-CG2 4.09Å; Y446-T500 HydrophobicContact CD2-CG2 3.49Å; Y446-T500 VanDerWaalsContact CD2-CG2 3.49Å; Y446-T500 HydrophobicContact CE1-CG2 4.35Å; Y446-T500 HydrophobicContact CE2-CG2 3.77Å; Y446-T500 HydrophobicContact CG-CG2 3.65Å; H498-T500 PolarHBondContact CE1-OG1 3.34Å; H498-T500 PolarHBondContact ND1-N 3.26Å; H498-T500 PolarHBondContact ND1-OG1 3.16Å; H498-T500 PolarHBondContact O-N 2.89Å
501	L	82.3	Confident	77.8	Confident	25 Å²	25	51.8 Å²	51.8	13%	0.131	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-125.1	27.6	-172.1	-58.5	176.8	0	0	0	111.4	H498 A499 L516 F542	H498-L501 HydrophobicContact CB-CB 4.28Å; H498-L501 HydrophobicContact CB-CD1 4.2Å; H498-L501 HydrophobicContact CB-CG 4.36Å; H498-L501 CarbonylContact O-C 3.47Å; H498-L501 WeakPolarHBondContact O-CA 3.44Å; H498-L501 PolarHBondContact O-N 3.04Å; A499-L501 VanDerWaalsContact C-N 3.29Å; A499-L501 PolarHBondContact O-N 3.02Å; L501-L516 HydrophobicContact CB-CB 4.36Å; L501-L516 WeakPolarHBondContact O-CB 3.36Å; L501-L516 WeakPolarHBondContact O-CG 3.38Å; L501-L516 PolarHBondContact O-N 3.35Å; L501-F542 HydrophobicContact CD1-CD1 4.11Å; L501-F542 HydrophobicContact CD1-CE1 3.59Å; L501-F542 HydrophobicContact CD2-CD1 3.57Å; L501-F542 HydrophobicContact CD2-CE1 3.96Å; L501-F542 HydrophobicContact CG-CD1 4.49Å; L501-F542 HydrophobicContact CG-CE1 4.44Å
502	I	88.6	Confident	79.2	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.9	171.5	53	165	0	0	0	111.4	E448 L459 F497 A499 I513 C514	E448-I502 HydrophobicContact CB-CD1 4.5Å; L459-I502 HydrophobicContact CB-CD1 3.53Å; L459-I502 HydrophobicContact CD1-CD1 4.38Å; L459-I502 HydrophobicContact CD2-CD1 3.83Å; L459-I502 HydrophobicContact CG-CD1 4.09Å; F497-I502 HydrophobicContact CB-CG2 3.44Å; F497-I502 VanDerWaalsContact CB-CG2 3.44Å; F497-I502 HydrophobicContact CD2-CD1 3.87Å; F497-I502 HydrophobicContact CD2-CG2 4.12Å; F497-I502 HydrophobicContact CE2-CD1 4.19Å; F497-I502 HydrophobicContact CG-CG2 4.04Å; A499-I502 WeakPolarHBondContact O-CG1 3.45Å; I502-I513 HydrophobicContact CB-CG2 4.02Å; I502-I513 HydrophobicContact CG2-CG2 3.69Å; I502-C514 WeakPolarHBondContact CA-O 3.45Å
503	K	92.8	Very high	80.8	Confident	62 Å²	62	44.1 Å²	44.1	27%	0.27	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.9	161	-64.1	-67.9	170.4	-165.2	0	110.4	E448 I513 C514 L516 A546	E448-K503 WeakPolarHBondContact OE1-CD 3.35Å; E448-K503 IonicContact OE2-NZ 2.72Å; E448-K503 PolarHBondContact OE2-NZ 3.48Å; K503-I513 WeakPolarHBondContact O-CA 3.31Å; K503-C514 HydrophobicContact CB-CB 4.41Å; K503-C514 PolarHBondContact N-O 3.2Å; K503-C514 PolarHBondContact O-N 3.24Å; K503-L516 HydrophobicContact CG-CD1 4.07Å; K503-A546 HydrophobicContact CB-CB 3.46Å; K503-A546 VanDerWaalsContact CB-CB 3.46Å; K503-A546 HydrophobicContact CG-CB 3.82Å
504	A	94.1	Very high	82.7	Confident	7 Å²	7	37.3 Å²	37.3	6%	0.058	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.4	-179.5	0	0	0	0	0	109.3	E448 S450 L459 L511 Y512	E448-A504 HydrophobicContact CG-CB 3.71Å; E448-A504 PolarHBondContact OE1-N 3Å; E448-A504 VanDerWaalsContact OE1-N 3.16Å; S450-A504 WeakPolarHBondContact CB-O 3.41Å; S450-A504 PolarHBondContact OG-O 2.84Å; L459-A504 HydrophobicContact CD1-CB 3.93Å; A504-L511 HydrophobicContact CB-CD1 4.17Å; A504-Y512 WeakPolarHBondContact CA-O 3.42Å
505	V	95.3	Very high	84.5	Confident	4 Å²	4	36 Å²	36	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.8	-174	-61.6	0	0	0	0	111.7	Y512 A546 I553	V505-Y512 PolarHBondContact N-O 3.45Å; V505-Y512 PolarHBondContact O-N 3.14Å; V505-A546 HydrophobicContact CG1-CB 3.97Å; V505-I553 HydrophobicContact CG2-CD1 4.17Å; V505-I553 HydrophobicContact CG2-CG1 4.13Å; V505-I553 HydrophobicContact CG2-CG2 4.02Å
506	P	94.6	Very high	85.9	Confident	48 Å²	48	32 Å²	32	31%	0.312	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133	175.5	34.7	-26.6	0	0	0	110.8	S450 A451 G548	S450-P506 VanDerWaalsContact OG-CD 3.23Å; S450-P506 WeakPolarHBondContact OG-CD 3.14Å; A451-P506 VanDerWaalsContact O-CB 3.29Å; A451-P506 WeakPolarHBondContact O-CB 3.46Å; P506-G548 CarbonylContact O-C 3.52Å; P506-G548 WeakPolarHBondContact O-CA 3.33Å
507	V	93.1	Very high	87.1	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	122.5	174.7	179.1	0	0	0	0	107.9	C509 T510 Y512 E550 I553	V507-C509 PolarHBondContact O-N 3Å; V507-C509 VanDerWaalsContact O-N 3.16Å; V507-T510 PolarHBondContact N-O 3.41Å; V507-T510 WeakPolarHBondContact O-CA 2.9Å; V507-T510 WeakPolarHBondContact O-CB 3.36Å; V507-T510 PolarHBondContact O-N 3.46Å; V507-Y512 HydrophobicContact CB-CD2 3.81Å; V507-Y512 HydrophobicContact CB-CE2 3.66Å; V507-Y512 HydrophobicContact CG1-CE2 4.29Å; V507-Y512 HydrophobicContact CG2-CD2 4.03Å; V507-Y512 HydrophobicContact CG2-CE2 4.29Å; V507-E550 WeakPolarHBondContact CG1-O 3.42Å; V507-I553 HydrophobicContact CG2-CD1 4.11Å; V507-I553 HydrophobicContact CG2-CG1 3.47Å; V507-I553 VanDerWaalsContact CG2-CG1 3.47Å
508	N	88.5	Confident	88	Confident	106 Å²	106	29.7 Å²	29.7	57%	0.567	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.1	47.9	-176.1	-69.1	-33.9	0	0	0	113.9	T510 E550 D551	N508-T510 PolarHBondContact O-N 3.03Å; N508-T510 VanDerWaalsContact O-N 3.13Å; N508-E550 VanDerWaalsContact CG-O 3.28Å; N508-E550 PolarHBondContact N-O 3.38Å; N508-E550 PolarHBondContact OD1-O 3.24Å; N508-E550 VanDerWaalsContact OD1-O 3.12Å; N508-D551 WeakPolarHBondContact ND2-CB 3.3Å
509	C	87.2	Confident	88.7	Confident	71 Å²	71	30.3 Å²	30.3	48%	0.48	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	14.4	-177.7	-53.6	0	0	0	0	115.6	Q453 V507	Q453-C509 HydrophobicContact CG-CB 4.02Å; Q453-C509 VanDerWaalsContact CG-SG 3.54Å; Q453-C509 PolarHBondContact NE2-SG 3.47Å; V507-C509 PolarHBondContact O-N 3Å; V507-C509 VanDerWaalsContact O-N 3.16Å
510	T	92.3	Very high	89.5	Confident	49 Å²	49	34.7 Å²	34.7	30%	0.301	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.7	173.5	-57.5	0	0	0	0	109.1	V507 N508 Y512	V507-T510 PolarHBondContact N-O 3.41Å; V507-T510 WeakPolarHBondContact O-CA 2.9Å; V507-T510 WeakPolarHBondContact O-CB 3.36Å; V507-T510 PolarHBondContact O-N 3.46Å; N508-T510 PolarHBondContact O-N 3.03Å; N508-T510 VanDerWaalsContact O-N 3.13Å; T510-Y512 HydrophobicContact CG2-CD2 4.25Å; T510-Y512 HydrophobicContact CG2-CE2 3.73Å; T510-Y512 WeakPolarHBondContact O-CD2 3.31Å
511	L	94.8	Very high	90.3	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.6	175.6	172.8	71.9	0	0	0	109.5	Y457 F476 A504 F524 W531	Y457-L511 HydrophobicContact CD1-CD2 4.06Å; Y457-L511 HydrophobicContact CD2-CB 4.06Å; Y457-L511 HydrophobicContact CD2-CD1 4.41Å; Y457-L511 HydrophobicContact CD2-CD2 3.87Å; Y457-L511 HydrophobicContact CD2-CG 4.35Å; Y457-L511 HydrophobicContact CE2-CB 4.25Å; Y457-L511 HydrophobicContact CG-CD2 3.61Å; F476-L511 HydrophobicContact CE2-CD2 4.08Å; F476-L511 HydrophobicContact CZ-CD2 3.87Å; A504-L511 HydrophobicContact CB-CD1 4.17Å; L511-F524 HydrophobicContact CB-CB 4Å; L511-F524 HydrophobicContact CD2-CB 4.12Å; L511-F524 HydrophobicContact CD2-CD1 4.22Å; L511-F524 HydrophobicContact CD2-CG 4.34Å; L511-F524 HydrophobicContact CG-CB 4.31Å; L511-F524 PolarHBondContact O-N 3.34Å; L511-W531 HydrophobicContact CD2-CH2 3.65Å; L511-W531 HydrophobicContact CD2-CZ2 4.36Å; L511-W531 HydrophobicContact CG-CH2 4.11Å
512	Y	94.1	Very high	90.7	Very high	20 Å²	20	33.4 Å²	33.4	8%	0.078	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.5	169.4	-71	-108.5	0	0	0	110.4	A504 V505 V507 T510 V521 Y522 E534 I553 Y572	A504-Y512 WeakPolarHBondContact CA-O 3.42Å; V505-Y512 PolarHBondContact N-O 3.45Å; V505-Y512 PolarHBondContact O-N 3.14Å; V507-Y512 HydrophobicContact CB-CD2 3.81Å; V507-Y512 HydrophobicContact CB-CE2 3.66Å; V507-Y512 HydrophobicContact CG1-CE2 4.29Å; V507-Y512 HydrophobicContact CG2-CD2 4.03Å; V507-Y512 HydrophobicContact CG2-CE2 4.29Å; T510-Y512 HydrophobicContact CG2-CD2 4.25Å; T510-Y512 HydrophobicContact CG2-CE2 3.73Å; T510-Y512 WeakPolarHBondContact O-CD2 3.31Å; Y512-V521 HydrophobicContact CD1-CG1 3.75Å; Y512-Y522 CarbonylContact C-O 3.48Å; Y512-Y522 WeakPolarHBondContact CA-O 3.43Å; Y512-E534 HydrophobicContact CD1-CG 4.37Å; Y512-E534 HydrophobicContact CE1-CG 3.86Å; Y512-I553 HydrophobicContact CD1-CD1 3.6Å; Y512-I553 HydrophobicContact CD2-CD1 4.42Å; Y512-I553 HydrophobicContact CE1-CD1 4.22Å; Y512-I553 HydrophobicContact CG-CD1 3.7Å; Y512-Y572 HydrophobicContact CE1-CE1 4.44Å
513	I	92.7	Very high	90.9	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.3	167.4	-70.1	176.1	0	0	0	108.3	L459 F497 I502 K503 V521 Y522 W531	L459-I513 HydrophobicContact CD1-CD1 4.33Å; L459-I513 HydrophobicContact CD2-CD1 3.43Å; L459-I513 VanDerWaalsContact CD2-CD1 3.43Å; L459-I513 HydrophobicContact CD2-CG1 4.49Å; F497-I513 HydrophobicContact CD1-CD1 4.44Å; F497-I513 HydrophobicContact CE1-CD1 4.37Å; I502-I513 HydrophobicContact CB-CG2 4.02Å; I502-I513 HydrophobicContact CG2-CG2 3.69Å; K503-I513 WeakPolarHBondContact O-CA 3.31Å; I513-V521 WeakPolarHBondContact O-CA 3.36Å; I513-Y522 PolarHBondContact N-O 3.28Å; I513-Y522 PolarHBondContact O-N 3.19Å; I513-W531 HydrophobicContact CB-CH2 4.27Å; I513-W531 HydrophobicContact CB-CZ3 4.04Å; I513-W531 HydrophobicContact CD1-CE3 4.45Å; I513-W531 HydrophobicContact CD1-CH2 3.07Å; I513-W531 HydrophobicContact CD1-CZ2 3.35Å; I513-W531 HydrophobicContact CD1-CZ3 3.66Å; I513-W531 HydrophobicContact CG1-CH2 3.39Å; I513-W531 HydrophobicContact CG1-CZ2 4.2Å; I513-W531 HydrophobicContact CG1-CZ3 3.65Å
514	C	92.5	Very high	90.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	106.6	166.6	-51.4	0	0	0	0	107.1	I502 K503 L516 V521 F537 I555	I502-C514 WeakPolarHBondContact CA-O 3.45Å; K503-C514 HydrophobicContact CB-CB 4.41Å; K503-C514 PolarHBondContact N-O 3.2Å; K503-C514 PolarHBondContact O-N 3.24Å; C514-L516 PolarHBondContact O-N 2.88Å; C514-V521 HydrophobicContact CB-CG2 4.44Å; C514-F537 HydrophobicContact CB-CE1 4.47Å; C514-I555 HydrophobicContact CB-CD1 3.89Å
515	D	89.7	Confident	90.7	Very high	2 Å²	2	33 Å²	33	1%	0.011	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	105.7	173.5	178.1	-0.9	0	0	0	108.8	S517 T518 Y519 K520 Y522	D515-S517 PolarHBondContact O-N 3.02Å; D515-S517 WeakPolarHBondContact OD1-CB 3.47Å; D515-S517 PolarHBondContact OD1-N 2.91Å; D515-S517 PolarHBondContact OD1-OG 3.31Å; D515-T518 PolarHBondContact OD1-N 2.88Å; D515-T518 WeakPolarHBondContact OD2-CB 3.47Å; D515-T518 WeakPolarHBondContact OD2-CG2 3.38Å; D515-T518 PolarHBondContact OD2-OG1 2.8Å; D515-Y519 VanDerWaalsContact O-CA 3.32Å; D515-Y519 WeakPolarHBondContact O-CA 3.35Å; D515-Y519 PolarHBondContact O-N 3.18Å; D515-K520 PolarHBondContact N-O 3.4Å; D515-K520 PolarHBondContact O-N 2.91Å; D515-Y522 HydrophobicContact CB-CE2 4.26Å
516	L	87.8	Confident	90.3	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.2	-177.6	-63.5	-172.5	0	0	0	112.8	L501 K503 C514 F537 G541 A544	L501-L516 HydrophobicContact CB-CB 4.36Å; L501-L516 WeakPolarHBondContact O-CB 3.36Å; L501-L516 WeakPolarHBondContact O-CG 3.38Å; L501-L516 PolarHBondContact O-N 3.35Å; K503-L516 HydrophobicContact CG-CD1 4.07Å; C514-L516 PolarHBondContact O-N 2.88Å; L516-F537 HydrophobicContact CD2-CE2 4.41Å; L516-F537 HydrophobicContact CD2-CZ 3.95Å; L516-G541 WeakPolarHBondContact CB-O 3.1Å; L516-G541 VanDerWaalsContact CD1-O 3.32Å; L516-G541 WeakPolarHBondContact CD1-O 3.07Å; L516-G541 WeakPolarHBondContact CD2-O 3.32Å; L516-G541 WeakPolarHBondContact CG-O 3.42Å; L516-G541 CarbonylContact O-C 3.5Å; L516-G541 WeakPolarHBondContact O-CA 3.44Å; L516-A544 HydrophobicContact CD2-CB 4.2Å
517	S	82.9	Confident	89.9	Confident	41 Å²	41	40.6 Å²	40.6	29%	0.287	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-34.3	180	73	0	0	0	0	112.8	D515	D515-S517 PolarHBondContact O-N 3.02Å; D515-S517 WeakPolarHBondContact OD1-CB 3.47Å; D515-S517 PolarHBondContact OD1-N 2.91Å; D515-S517 PolarHBondContact OD1-OG 3.31Å
518	T	84.9	Confident	89.7	Confident	60 Å²	60	44.5 Å²	44.5	37%	0.368	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-0.7	-180	69.4	0	0	0	0	113.7	D515 K520	D515-T518 PolarHBondContact OD1-N 2.88Å; D515-T518 WeakPolarHBondContact OD2-CB 3.47Å; D515-T518 WeakPolarHBondContact OD2-CG2 3.38Å; D515-T518 PolarHBondContact OD2-OG1 2.8Å; T518-K520 PolarHBondContact O-N 3.04Å
519	Y	88	Confident	89.6	Confident	66 Å²	66	41.2 Å²	41.2	26%	0.259	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	33.5	-178.3	-52.7	-96.6	0	0	0	113.1	D515 S536 F537 C539 G541	D515-Y519 VanDerWaalsContact O-CA 3.32Å; D515-Y519 WeakPolarHBondContact O-CA 3.35Å; D515-Y519 PolarHBondContact O-N 3.18Å; Y519-S536 CarbonylContact O-C 3.55Å; Y519-S536 WeakPolarHBondContact O-CA 3.32Å; Y519-S536 WeakPolarHBondContact O-CB 3.36Å; Y519-F537 VanDerWaalsContact C-CE1 3.43Å; Y519-F537 WeakPolarHBondContact CB-O 3.29Å; Y519-F537 AromaticContact CD1-CD2 3.98Å; Y519-F537 HydrophobicContact CD1-CD2 3.98Å; Y519-F537 AromaticContact CD1-CE2 3.71Å; Y519-F537 HydrophobicContact CD1-CE2 3.71Å; Y519-F537 HydrophobicContact CG-CE2 4.32Å; Y519-F537 PolarHBondContact O-N 3.33Å; Y519-C539 WeakPolarHBondContact CD1-O 3.34Å; Y519-C539 WeakPolarHBondContact CE1-O 3.24Å; Y519-G541 VanDerWaalsContact CE1-N 3.27Å
520	K	88.8	Confident	89.6	Confident	97 Å²	97	39.5 Å²	39.5	42%	0.422	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150	-174	-74.3	176.5	-176.5	177.8	0	112	D515 T518 Y522 G535	D515-K520 PolarHBondContact N-O 3.4Å; D515-K520 PolarHBondContact O-N 2.91Å; T518-K520 PolarHBondContact O-N 3.04Å; K520-Y522 HydrophobicContact CB-CD2 4.49Å; K520-Y522 HydrophobicContact CB-CE2 3.66Å; K520-Y522 WeakPolarHBondContact CD-OH 3.38Å; K520-G535 WeakPolarHBondContact CA-O 3.49Å
521	V	91.2	Very high	89.4	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.6	174.5	177.6	0	0	0	0	110	Y512 I513 C514 E534 G535 F537 I553 W579	Y512-V521 HydrophobicContact CD1-CG1 3.75Å; I513-V521 WeakPolarHBondContact O-CA 3.36Å; C514-V521 HydrophobicContact CB-CG2 4.44Å; V521-E534 HydrophobicContact CG1-CB 4.29Å; V521-E534 PolarHBondContact O-N 3.35Å; V521-G535 PolarHBondContact N-O 2.97Å; V521-F537 HydrophobicContact CG2-CD1 3.97Å; V521-F537 HydrophobicContact CG2-CE1 4.09Å; V521-I553 HydrophobicContact CG1-CD1 3.9Å; V521-W579 HydrophobicContact CB-CZ2 4.46Å; V521-W579 HydrophobicContact CG2-CH2 3.93Å; V521-W579 HydrophobicContact CG2-CZ2 3.6Å
522	Y	91	Very high	89.2	Confident	55 Å²	55	44.2 Å²	44.2	22%	0.216	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.1	177.5	-54.6	-89.5	0	0	0	110.4	Y512 I513 D515 K520 K532	Y512-Y522 CarbonylContact C-O 3.48Å; Y512-Y522 WeakPolarHBondContact CA-O 3.43Å; I513-Y522 PolarHBondContact N-O 3.28Å; I513-Y522 PolarHBondContact O-N 3.19Å; D515-Y522 HydrophobicContact CB-CE2 4.26Å; K520-Y522 HydrophobicContact CB-CD2 4.49Å; K520-Y522 HydrophobicContact CB-CE2 3.66Å; K520-Y522 WeakPolarHBondContact CD-OH 3.38Å; Y522-K532 CarbonylContact C-O 3.56Å; Y522-K532 WeakPolarHBondContact CA-O 3.49Å
523	S	92.5	Very high	88.9	Confident	13 Å²	13	45.8 Å²	45.8	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	143.7	169.4	62.9	0	0	0	0	110.3	W531 K532 E534	S523-W531 CarbonylContact O-C 3.52Å; S523-W531 WeakPolarHBondContact O-CA 3.31Å; S523-K532 PolarHBondContact N-O 2.6Å; S523-K532 PolarHBondContact O-N 3.32Å; S523-E534 PolarHBondContact OG-OE1 2.84Å
524	F	91.8	Very high	88.8	Confident	4 Å²	4	47 Å²	47	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.3	178	-172.9	-123.5	0	0	0	111	Y457 F476 L489 L511 P526 C529 W531	Y457-F524 HydrophobicContact CD1-CE1 4.45Å; Y457-F524 HydrophobicContact CE1-CD1 4.02Å; Y457-F524 AromaticContact CE1-CE1 3.66Å; Y457-F524 HydrophobicContact CE1-CE1 3.66Å; F476-F524 HydrophobicContact CE1-CD2 4.12Å; F476-F524 HydrophobicContact CE1-CE1 4.17Å; F476-F524 AromaticContact CE1-CE2 3.69Å; F476-F524 HydrophobicContact CE1-CE2 3.69Å; F476-F524 AromaticContact CE1-CZ 3.72Å; F476-F524 HydrophobicContact CE1-CZ 3.72Å; F476-F524 HydrophobicContact CZ-CD1 4.21Å; F476-F524 HydrophobicContact CZ-CD2 4.41Å; F476-F524 HydrophobicContact CZ-CE1 4.03Å; F476-F524 HydrophobicContact CZ-CE2 4.25Å; F476-F524 HydrophobicContact CZ-CG 4.41Å; F476-F524 HydrophobicContact CZ-CZ 4.06Å; L489-F524 HydrophobicContact CD1-CE1 4.03Å; L489-F524 HydrophobicContact CD1-CZ 3.84Å; L511-F524 HydrophobicContact CB-CB 4Å; L511-F524 HydrophobicContact CD2-CB 4.12Å; L511-F524 HydrophobicContact CD2-CD1 4.22Å; L511-F524 HydrophobicContact CD2-CG 4.34Å; L511-F524 HydrophobicContact CG-CB 4.31Å; L511-F524 PolarHBondContact O-N 3.34Å; F524-P526 HydrophobicContact CD1-CG 4.1Å; F524-P526 HydrophobicContact CE1-CB 4.17Å; F524-P526 HydrophobicContact CE1-CG 4.22Å; F524-P526 WeakPolarHBondContact O-CD 3.46Å; F524-C529 HydrophobicContact CZ-CB 4.43Å; F524-W531 HydrophobicContact CB-CD2 4.34Å; F524-W531 HydrophobicContact CB-CE3 3.84Å; F524-W531 HydrophobicContact CB-CH2 3.59Å; F524-W531 HydrophobicContact CB-CZ2 4.13Å; F524-W531 HydrophobicContact CB-CZ3 3.48Å; F524-W531 VanDerWaalsContact CB-CZ3 3.48Å; F524-W531 AromaticContact CD2-CD2 3.92Å; F524-W531 HydrophobicContact CD2-CD2 3.92Å; F524-W531 AromaticContact CD2-CE2 3.65Å; F524-W531 HydrophobicContact CD2-CE3 4.29Å; F524-W531 HydrophobicContact CD2-CG 4.45Å; F524-W531 HydrophobicContact CD2-CH2 4.13Å; F524-W531 AromaticContact CD2-CZ2 3.75Å; F524-W531 HydrophobicContact CD2-CZ2 3.75Å; F524-W531 HydrophobicContact CD2-CZ3 4.42Å; F524-W531 HydrophobicContact CE2-CZ2 4.5Å; F524-W531 HydrophobicContact CG-CH2 4.02Å; F524-W531 HydrophobicContact CG-CZ2 4.06Å; F524-W531 HydrophobicContact CG-CZ3 4.29Å
525	C	90.6	Very high	88.4	Confident	48 Å²	48	48.4 Å²	48.4	32%	0.324	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	109.4	167.3	-178.8	0	0	0	0	110	D527 T528 C529 V530	C525-D527 VanDerWaalsContact C-N 3.3Å; C525-D527 PolarHBondContact O-N 3.05Å; C525-T528 WeakPolarHBondContact CB-OG1 3.34Å; C525-T528 PolarHBondContact SG-OG1 3.29Å; C525-C529 VanDerWaalsContact O-CA 3.32Å; C525-C529 WeakPolarHBondContact O-CA 3.49Å; C525-C529 PolarHBondContact O-N 3.28Å; C525-V530 PolarHBondContact N-O 3.13Å; C525-V530 PolarHBondContact O-N 2.75Å
526	P	87.6	Confident	88.2	Confident	52 Å²	52	51.7 Å²	51.7	34%	0.338	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.2	-177.6	-23.2	35.3	0	0	0	114.3	Y457 F524	Y457-P526 WeakPolarHBondContact OH-CB 3.38Å; Y457-P526 WeakPolarHBondContact OH-CG 3.28Å; F524-P526 HydrophobicContact CD1-CG 4.1Å; F524-P526 HydrophobicContact CE1-CB 4.17Å; F524-P526 HydrophobicContact CE1-CG 4.22Å; F524-P526 WeakPolarHBondContact O-CD 3.46Å
527	D	87.1	Confident	88.1	Confident	158 Å²	158	51.9 Å²	51.9	85%	0.845	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-37.2	-175.7	-61.8	-37.9	0	0	0	112.5	C525	C525-D527 VanDerWaalsContact C-N 3.3Å; C525-D527 PolarHBondContact O-N 3.05Å
528	T	87.3	Confident	87.8	Confident	84 Å²	84	57.3 Å²	57.3	52%	0.515	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-11.8	-179.9	58.6	0	0	0	0	112.7	C525 V530	C525-T528 WeakPolarHBondContact CB-OG1 3.34Å; C525-T528 PolarHBondContact SG-OG1 3.29Å; T528-V530 PolarHBondContact O-N 3.19Å
529	C	86.8	Confident	87.2	Confident	36 Å²	36	54.5 Å²	54.5	24%	0.243	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	37.3	-171.9	-65.8	0	0	0	0	112.9	A491 F524 C525	A491-C529 VanDerWaalsContact CA-O 3.3Å; A491-C529 WeakPolarHBondContact CA-O 3.48Å; A491-C529 WeakPolarHBondContact CB-O 3.37Å; F524-C529 HydrophobicContact CZ-CB 4.43Å; C525-C529 VanDerWaalsContact O-CA 3.32Å; C525-C529 WeakPolarHBondContact O-CA 3.49Å; C525-C529 PolarHBondContact O-N 3.28Å
530	V	87.3	Confident	86.4	Confident	36 Å²	36	51.3 Å²	51.3	22%	0.218	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140.7	-179.1	173.6	0	0	0	0	110.8	F493 C525 T528	F493-V530 HydrophobicContact CD2-CG1 3.97Å; F493-V530 HydrophobicContact CE2-CG1 4.44Å; C525-V530 PolarHBondContact N-O 3.13Å; C525-V530 PolarHBondContact O-N 2.75Å; T528-V530 PolarHBondContact O-N 3.19Å
531	W	88.6	Confident	85.5	Confident	23 Å²	23	46.7 Å²	46.7	9%	0.087	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.4	168	-68	103	0	0	0	110.7	F476 L511 I513 S523 F524	F476-W531 HydrophobicContact CD1-CZ2 4.43Å; F476-W531 AromaticContact CE1-CZ2 3.71Å; F476-W531 HydrophobicContact CE1-CZ2 3.71Å; F476-W531 HydrophobicContact CZ-CH2 4.4Å; F476-W531 AromaticContact CZ-CZ2 3.78Å; F476-W531 HydrophobicContact CZ-CZ2 3.78Å; L511-W531 HydrophobicContact CD2-CH2 3.65Å; L511-W531 HydrophobicContact CD2-CZ2 4.36Å; L511-W531 HydrophobicContact CG-CH2 4.11Å; I513-W531 HydrophobicContact CB-CH2 4.27Å; I513-W531 HydrophobicContact CB-CZ3 4.04Å; I513-W531 HydrophobicContact CD1-CE3 4.45Å; I513-W531 HydrophobicContact CD1-CH2 3.07Å; I513-W531 HydrophobicContact CD1-CZ2 3.35Å; I513-W531 HydrophobicContact CD1-CZ3 3.66Å; I513-W531 HydrophobicContact CG1-CH2 3.39Å; I513-W531 HydrophobicContact CG1-CZ2 4.2Å; I513-W531 HydrophobicContact CG1-CZ3 3.65Å; S523-W531 CarbonylContact O-C 3.52Å; S523-W531 WeakPolarHBondContact O-CA 3.31Å; F524-W531 HydrophobicContact CB-CD2 4.34Å; F524-W531 HydrophobicContact CB-CE3 3.84Å; F524-W531 HydrophobicContact CB-CH2 3.59Å; F524-W531 HydrophobicContact CB-CZ2 4.13Å; F524-W531 HydrophobicContact CB-CZ3 3.48Å; F524-W531 VanDerWaalsContact CB-CZ3 3.48Å; F524-W531 AromaticContact CD2-CD2 3.92Å; F524-W531 HydrophobicContact CD2-CD2 3.92Å; F524-W531 AromaticContact CD2-CE2 3.65Å; F524-W531 HydrophobicContact CD2-CE3 4.29Å; F524-W531 HydrophobicContact CD2-CG 4.45Å; F524-W531 HydrophobicContact CD2-CH2 4.13Å; F524-W531 AromaticContact CD2-CZ2 3.75Å; F524-W531 HydrophobicContact CD2-CZ2 3.75Å; F524-W531 HydrophobicContact CD2-CZ3 4.42Å; F524-W531 HydrophobicContact CE2-CZ2 4.5Å; F524-W531 HydrophobicContact CG-CH2 4.02Å; F524-W531 HydrophobicContact CG-CZ2 4.06Å; F524-W531 HydrophobicContact CG-CZ3 4.29Å
532	K	89.4	Confident	85.2	Confident	127 Å²	127	49.7 Å²	49.7	55%	0.552	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	128.5	173.5	175.6	179.3	168.8	-111.8	0	109.2	Y522 S523 E534	Y522-K532 CarbonylContact C-O 3.56Å; Y522-K532 WeakPolarHBondContact CA-O 3.49Å; S523-K532 PolarHBondContact N-O 2.6Å; S523-K532 PolarHBondContact O-N 3.32Å; K532-E534 WeakPolarHBondContact CD-OE1 3.48Å; K532-E534 WeakPolarHBondContact CE-OE1 3.45Å; K532-E534 WeakPolarHBondContact CG-OE1 3.37Å; K532-E534 IonicContact NZ-OE1 2.6Å; K532-E534 PolarHBondContact NZ-OE1 2.66Å; K532-E534 IonicContact NZ-OE2 3.99Å; K532-E534 PolarHBondContact NZ-OE2 3.32Å
533	G	89.4	Confident	85	Confident	53 Å²	53	48.3 Å²	48.3	55%	0.546	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129	172.9	0	0	0	0	0	111.1
534	E	88.8	Confident	85	Confident	28 Å²	28	47.8 Å²	47.8	13%	0.131	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-30.7	-174	-66.8	-65	148.7	0	0	112.4	Y512 V521 S523 K532 Y572	Y512-E534 HydrophobicContact CD1-CG 4.37Å; Y512-E534 HydrophobicContact CE1-CG 3.86Å; V521-E534 HydrophobicContact CG1-CB 4.29Å; V521-E534 PolarHBondContact O-N 3.35Å; S523-E534 PolarHBondContact OG-OE1 2.84Å; K532-E534 WeakPolarHBondContact CD-OE1 3.48Å; K532-E534 WeakPolarHBondContact CE-OE1 3.45Å; K532-E534 WeakPolarHBondContact CG-OE1 3.37Å; K532-E534 IonicContact NZ-OE1 2.6Å; K532-E534 PolarHBondContact NZ-OE1 2.66Å; K532-E534 IonicContact NZ-OE2 3.99Å; K532-E534 PolarHBondContact NZ-OE2 3.32Å; E534-Y572 HydrophobicContact CB-CE1 4.29Å; E534-Y572 PolarHBondContact O-OH 3.12Å; E534-Y572 PolarHBondContact OE2-OH 3.16Å
535	G	84.8	Confident	85.1	Confident	30 Å²	30	47.8 Å²	47.8	31%	0.309	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-169	176.8	0	0	0	0	0	112.7	K520 V521	K520-G535 WeakPolarHBondContact CA-O 3.49Å; V521-G535 PolarHBondContact N-O 2.97Å
536	S	86.4	Confident	85.3	Confident	71 Å²	71	46 Å²	46	50%	0.497	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.3	174.5	54.3	0	0	0	0	111.3	Y519 W579	Y519-S536 CarbonylContact O-C 3.55Å; Y519-S536 WeakPolarHBondContact O-CA 3.32Å; Y519-S536 WeakPolarHBondContact O-CB 3.36Å; S536-W579 VanDerWaalsContact O-CD1 3.26Å; S536-W579 PolarHBondContact O-NE1 3.44Å
537	F	84.1	Confident	85.7	Confident	7 Å²	7	44.1 Å²	44.1	3%	0.031	25%	0.254	C	S	.	.			trans	-105.8	165.6	174.3	52.1	-86.9	0	0	0	110.9	C514 L516 Y519 V521 I555 W579	C514-F537 HydrophobicContact CB-CE1 4.47Å; L516-F537 HydrophobicContact CD2-CE2 4.41Å; L516-F537 HydrophobicContact CD2-CZ 3.95Å; Y519-F537 VanDerWaalsContact C-CE1 3.43Å; Y519-F537 WeakPolarHBondContact CB-O 3.29Å; Y519-F537 AromaticContact CD1-CD2 3.98Å; Y519-F537 HydrophobicContact CD1-CD2 3.98Å; Y519-F537 AromaticContact CD1-CE2 3.71Å; Y519-F537 HydrophobicContact CD1-CE2 3.71Å; Y519-F537 HydrophobicContact CG-CE2 4.32Å; Y519-F537 PolarHBondContact O-N 3.33Å; V521-F537 HydrophobicContact CG2-CD1 3.97Å; V521-F537 HydrophobicContact CG2-CE1 4.09Å; F537-I555 HydrophobicContact CD1-CG1 4.35Å; F537-I555 HydrophobicContact CD2-CG2 4.28Å; F537-I555 HydrophobicContact CE2-CG2 4.26Å; F537-I555 HydrophobicContact CG-CG1 4.3Å; F537-W579 HydrophobicContact CB-CD2 4.21Å; F537-W579 HydrophobicContact CB-CE3 4.04Å; F537-W579 HydrophobicContact CB-CH2 3.63Å; F537-W579 HydrophobicContact CB-CZ2 3.8Å; F537-W579 HydrophobicContact CB-CZ3 3.75Å; F537-W579 AromaticContact CD1-CH2 3.81Å; F537-W579 HydrophobicContact CD1-CH2 3.81Å; F537-W579 AromaticContact CD1-CZ2 3.93Å; F537-W579 HydrophobicContact CD1-CZ2 3.93Å; F537-W579 HydrophobicContact CG-CH2 4.07Å; F537-W579 HydrophobicContact CG-CZ2 4.35Å
538	E	77.8	Confident	86	Confident	155 Å²	155	37 Å²	37	72%	0.724	22%	0.218	S	C	*	.			trans	-113.5	-20.6	-175.9	-57.7	-174.2	166.1	0	0	113.1
539	C	72.1	Confident	86.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-67.8	163.4	177.9	62.9	0	0	0	0	112.8	Y519 G541 I555 Y560 E568 Q570	Y519-C539 WeakPolarHBondContact CD1-O 3.34Å; Y519-C539 WeakPolarHBondContact CE1-O 3.24Å; C539-G541 PolarHBondContact O-N 3.01Å; C539-I555 WeakPolarHBondContact SG-CG2 3.43Å; C539-Y560 WeakPolarHBondContact CA-OH 3.38Å; C539-E568 HydrophobicContact CB-CB 4.2Å; C539-Q570 HydrophobicContact CB-CG 4.01Å; C539-Q570 PolarHBondContact SG-OE1 2.93Å
540	A	70.6	Confident	86.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.			trans	-50.9	126.6	-175.5	0	0	0	0	0	112.5	A544 Y560 T566	A540-A544 WeakPolarHBondContact O-CB 3.4Å; A540-Y560 HydrophobicContact CB-CD1 3.96Å; A540-Y560 HydrophobicContact CB-CD2 3.86Å; A540-Y560 HydrophobicContact CB-CE1 3.96Å; A540-Y560 HydrophobicContact CB-CE2 3.87Å; A540-Y560 HydrophobicContact CB-CG 3.9Å; A540-Y560 PolarHBondContact N-OH 3.01Å; A540-T566 HydrophobicContact CB-CG2 3.38Å
541	G	70.9	Confident	86.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.			trans	-79.4	-54.6	-172.8	0	0	0	0	0	111.4	L516 Y519 C539 N543 A544	L516-G541 WeakPolarHBondContact CB-O 3.1Å; L516-G541 VanDerWaalsContact CD1-O 3.32Å; L516-G541 WeakPolarHBondContact CD1-O 3.07Å; L516-G541 WeakPolarHBondContact CD2-O 3.32Å; L516-G541 WeakPolarHBondContact CG-O 3.42Å; L516-G541 CarbonylContact O-C 3.5Å; L516-G541 WeakPolarHBondContact O-CA 3.44Å; Y519-G541 VanDerWaalsContact CE1-N 3.27Å; C539-G541 PolarHBondContact O-N 3.01Å; G541-N543 PolarHBondContact O-N 3.28Å; G541-A544 PolarHBondContact O-N 3.01Å
542	F	84.4	Confident	86.8	Confident	64 Å²	64	38.3 Å²	38.3	28%	0.281	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-65.5	134.4	-168.7	-65.4	-89.9	0	0	0	112.4	L501 A544 G558 D559	L501-F542 HydrophobicContact CD1-CD1 4.11Å; L501-F542 HydrophobicContact CD1-CE1 3.59Å; L501-F542 HydrophobicContact CD2-CD1 3.57Å; L501-F542 HydrophobicContact CD2-CE1 3.96Å; L501-F542 HydrophobicContact CG-CD1 4.49Å; L501-F542 HydrophobicContact CG-CE1 4.44Å; F542-A544 PolarHBondContact O-N 2.67Å; F542-G558 CarbonylContact O-C 3.52Å; F542-G558 WeakPolarHBondContact O-CA 3.34Å; F542-D559 PolarHBondContact N-O 2.63Å; F542-D559 PolarHBondContact O-N 2.8Å
543	N	87.5	Confident	87	Confident	25 Å²	25	32.2 Å²	32.2	13%	0.134	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	18.7	175.3	-51.6	-53.6	0	0	0	115.4	G541 D559 T590 E591	G541-N543 PolarHBondContact O-N 3.28Å; N543-D559 PolarHBondContact ND2-OD1 3.04Å; N543-T590 WeakPolarHBondContact CB-OG1 3.39Å; N543-E591 HydrophobicContact CB-CB 4.28Å; N543-E591 PolarHBondContact O-N 3.16Å; N543-E591 VanDerWaalsContact O-N 3.16Å
544	A	92.5	Very high	87.3	Confident	2 Å²	2	29.9 Å²	29.9	2%	0.017	16%	0.162	C	C	.	.			trans	-64.3	150.6	172.2	0	0	0	0	0	111.2	L516 A540 G541 F542 I555	L516-A544 HydrophobicContact CD2-CB 4.2Å; A540-A544 WeakPolarHBondContact O-CB 3.4Å; G541-A544 PolarHBondContact O-N 3.01Å; F542-A544 PolarHBondContact O-N 2.67Å; A544-I555 HydrophobicContact CB-CG2 4.01Å
545	G	93.4	Very high	87.6	Confident	5 Å²	5	28.5 Å²	28.5	5%	0.052	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	145.9	165	0	0	0	0	0	110	I555 L556	G545-I555 WeakPolarHBondContact O-CA 3.28Å; G545-L556 PolarHBondContact N-O 2.86Å; G545-L556 PolarHBondContact O-N 3.07Å
546	A	94.8	Very high	88.1	Confident	11 Å²	11	27.1 Å²	27.1	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.8	167.6	0	0	0	0	0	111.2	K503 V505 Y554 I555	K503-A546 HydrophobicContact CB-CB 3.46Å; K503-A546 VanDerWaalsContact CB-CB 3.46Å; K503-A546 HydrophobicContact CG-CB 3.82Å; V505-A546 HydrophobicContact CG1-CB 3.97Å; A546-Y554 CarbonylContact C-O 3.49Å; A546-Y554 WeakPolarHBondContact CA-O 3.42Å; A546-I555 HydrophobicContact CB-CD1 3.67Å
547	I	95.4	Very high	88.5	Confident	11 Å²	11	23.7 Å²	23.7	6%	0.056	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.2	-179.9	-74.3	-63	0	0	0	110.8	I297 I553 Y554 C594 V596	I297-I547 HydrophobicContact CD1-CG2 4.27Å; I297-I547 HydrophobicContact CG1-CG2 4.28Å; I297-I547 HydrophobicContact CG2-CG1 4.23Å; I547-I553 CarbonylContact O-C 3.52Å; I547-I553 WeakPolarHBondContact O-CA 3.41Å; I547-Y554 PolarHBondContact N-O 2.97Å; I547-Y554 PolarHBondContact O-N 2.85Å; I547-C594 HydrophobicContact CD1-CB 4.38Å; I547-C594 HydrophobicContact CG1-CB 4.11Å; I547-C594 WeakPolarHBondContact CG1-SG 3.1Å; I547-V596 HydrophobicContact CD1-CG2 4.45Å; I547-V596 HydrophobicContact CG2-CG2 3.27Å
548	G	94.6	Very high	88.9	Confident	10 Å²	10	23.4 Å²	23.4	10%	0.103	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.2	168	0	0	0	0	0	110.1	P506 K552	P506-G548 CarbonylContact O-C 3.52Å; P506-G548 WeakPolarHBondContact O-CA 3.33Å; G548-K552 WeakPolarHBondContact CA-O 3.41Å
549	I	91.3	Very high	89.5	Confident	12 Å²	12	16.1 Å²	16.1	6%	0.062	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	124.2	174.6	-178.4	153.5	0	0	0	109.8	K295 I316 D551 K552 Y554 V596	K295-I549 HydrophobicContact CB-CD1 3.83Å; K295-I549 HydrophobicContact CD-CD1 3.55Å; K295-I549 HydrophobicContact CD-CG1 4.24Å; K295-I549 HydrophobicContact CG-CD1 4.3Å; I316-I549 HydrophobicContact CD1-CD1 3.27Å; I316-I549 HydrophobicContact CD1-CG1 4.25Å; I316-I549 HydrophobicContact CD1-CG2 4.17Å; I549-D551 PolarHBondContact O-N 2.87Å; I549-K552 HydrophobicContact CG2-CB 4.46Å; I549-K552 PolarHBondContact N-O 2.86Å; I549-K552 PolarHBondContact O-N 3.34Å; I549-Y554 HydrophobicContact CG2-CD2 3.74Å; I549-Y554 HydrophobicContact CG2-CE2 3.4Å; I549-V596 HydrophobicContact CB-CG2 4.32Å; I549-V596 HydrophobicContact CD1-CG1 3.75Å; I549-V596 HydrophobicContact CD1-CG2 4.19Å
550	E	87.6	Confident	90.2	Very high	109 Å²	109	20 Å²	20	51%	0.509	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	-112.4	-179.1	-63.6	171.5	-173.5	0	0	110.9	K295 V507 N508	K295-E550 IonicContact NZ-OE1 3.88Å; K295-E550 PolarHBondContact NZ-OE1 2.79Å; V507-E550 WeakPolarHBondContact CG1-O 3.42Å; N508-E550 VanDerWaalsContact CG-O 3.28Å; N508-E550 PolarHBondContact N-O 3.38Å; N508-E550 PolarHBondContact OD1-O 3.24Å; N508-E550 VanDerWaalsContact OD1-O 3.12Å
551	D	91.8	Very high	90.8	Very high	36 Å²	36	21.9 Å²	21.9	19%	0.193	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	13.3	178.3	67.3	-29.2	0	0	0	113.7	N508 I549 S574 N575	N508-D551 WeakPolarHBondContact ND2-CB 3.3Å; I549-D551 PolarHBondContact O-N 2.87Å; D551-S574 WeakPolarHBondContact CA-OG 3.17Å; D551-S574 WeakPolarHBondContact O-CB 3.33Å; D551-S574 PolarHBondContact O-N 3.33Å; D551-S574 PolarHBondContact O-OG 3.49Å; D551-N575 PolarHBondContact OD2-ND2 2.94Å
552	K	94.4	Very high	91.2	Very high	48 Å²	48	26 Å²	26	21%	0.209	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.5	-173.6	-61.2	178.6	-171.7	-172.2	0	114	G548 I549 Y554 V571 Y572 H573	G548-K552 WeakPolarHBondContact CA-O 3.41Å; I549-K552 HydrophobicContact CG2-CB 4.46Å; I549-K552 PolarHBondContact N-O 2.86Å; I549-K552 PolarHBondContact O-N 3.34Å; K552-Y554 HydrophobicContact CB-CD2 4.34Å; K552-Y554 HydrophobicContact CB-CE2 3.73Å; K552-Y554 HydrophobicContact CD-CE2 4.13Å; K552-Y554 WeakPolarHBondContact CD-OH 3.43Å; K552-V571 HydrophobicContact CB-CG1 3.9Å; K552-V571 HydrophobicContact CD-CG1 3.94Å; K552-V571 HydrophobicContact CG-CG1 4.1Å; K552-Y572 CarbonylContact C-O 3.5Å; K552-Y572 WeakPolarHBondContact CA-O 3.42Å; K552-H573 WeakPolarHBondContact CE-CE1 3.24Å
553	I	95.4	Very high	91.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.8	167.2	-56	172.5	0	0	0	108.6	V505 V507 Y512 V521 I547 I555 V571 Y572	V505-I553 HydrophobicContact CG2-CD1 4.17Å; V505-I553 HydrophobicContact CG2-CG1 4.13Å; V505-I553 HydrophobicContact CG2-CG2 4.02Å; V507-I553 HydrophobicContact CG2-CD1 4.11Å; V507-I553 HydrophobicContact CG2-CG1 3.47Å; V507-I553 VanDerWaalsContact CG2-CG1 3.47Å; Y512-I553 HydrophobicContact CD1-CD1 3.6Å; Y512-I553 HydrophobicContact CD2-CD1 4.42Å; Y512-I553 HydrophobicContact CE1-CD1 4.22Å; Y512-I553 HydrophobicContact CG-CD1 3.7Å; V521-I553 HydrophobicContact CG1-CD1 3.9Å; I547-I553 CarbonylContact O-C 3.52Å; I547-I553 WeakPolarHBondContact O-CA 3.41Å; I553-I555 HydrophobicContact CG2-CD1 4.15Å; I553-V571 CarbonylContact O-C 3.58Å; I553-V571 VanDerWaalsContact O-CA 3.25Å; I553-V571 WeakPolarHBondContact O-CA 3.36Å; I553-Y572 HydrophobicContact CD1-CD1 4.04Å; I553-Y572 HydrophobicContact CG1-CD1 4.44Å; I553-Y572 PolarHBondContact N-O 2.57Å; I553-Y572 PolarHBondContact O-N 3.32Å
554	Y	95.6	Very high	91.3	Very high	3 Å²	3	35 Å²	35	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.9	174.1	-69.1	-103.1	0	0	0	109	I297 Y314 I316 A546 I547 I549 K552 V569 Q570 V571	I297-Y554 HydrophobicContact CD1-CD1 3.57Å; I297-Y554 HydrophobicContact CD1-CD2 3.77Å; I297-Y554 HydrophobicContact CD1-CE1 4.07Å; I297-Y554 HydrophobicContact CD1-CE2 4.24Å; I297-Y554 HydrophobicContact CD1-CG 3.44Å; I297-Y554 VanDerWaalsContact CD1-CG 3.44Å; Y314-Y554 HydrophobicContact CD1-CE1 4.33Å; Y314-Y554 HydrophobicContact CE1-CD1 4.29Å; Y314-Y554 AromaticContact CE1-CE1 3.57Å; Y314-Y554 HydrophobicContact CE1-CE1 3.57Å; I316-Y554 WeakPolarHBondContact CG2-OH 3.49Å; A546-Y554 CarbonylContact C-O 3.49Å; A546-Y554 WeakPolarHBondContact CA-O 3.42Å; I547-Y554 PolarHBondContact N-O 2.97Å; I547-Y554 PolarHBondContact O-N 2.85Å; I549-Y554 HydrophobicContact CG2-CD2 3.74Å; I549-Y554 HydrophobicContact CG2-CE2 3.4Å; K552-Y554 HydrophobicContact CB-CD2 4.34Å; K552-Y554 HydrophobicContact CB-CE2 3.73Å; K552-Y554 HydrophobicContact CD-CE2 4.13Å; K552-Y554 WeakPolarHBondContact CD-OH 3.43Å; Y554-V569 HydrophobicContact CD1-CG1 4.26Å; Y554-Q570 CarbonylContact C-O 3.55Å; Y554-Q570 WeakPolarHBondContact CA-O 3.31Å; Y554-V571 HydrophobicContact CD1-CB 4.5Å; Y554-V571 HydrophobicContact CD1-CG1 4.49Å; Y554-V571 HydrophobicContact CD1-CG2 3.36Å; Y554-V571 HydrophobicContact CD2-CG1 4.44Å; Y554-V571 HydrophobicContact CE1-CB 4.33Å; Y554-V571 HydrophobicContact CE1-CG1 4.12Å; Y554-V571 HydrophobicContact CE1-CG2 3.22Å; Y554-V571 HydrophobicContact CE2-CG1 4.07Å; Y554-V571 HydrophobicContact CG-CG2 4.09Å
555	I	95.3	Very high	91.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126	165.7	-52.9	-61.2	0	0	0	107.2	C514 F537 C539 A544 G545 A546 I553 V569 Q570 W579	C514-I555 HydrophobicContact CB-CD1 3.89Å; F537-I555 HydrophobicContact CD1-CG1 4.35Å; F537-I555 HydrophobicContact CD2-CG2 4.28Å; F537-I555 HydrophobicContact CE2-CG2 4.26Å; F537-I555 HydrophobicContact CG-CG1 4.3Å; C539-I555 WeakPolarHBondContact SG-CG2 3.43Å; A544-I555 HydrophobicContact CB-CG2 4.01Å; G545-I555 WeakPolarHBondContact O-CA 3.28Å; A546-I555 HydrophobicContact CB-CD1 3.67Å; I553-I555 HydrophobicContact CG2-CD1 4.15Å; I555-V569 WeakPolarHBondContact O-CA 3.18Å; I555-Q570 PolarHBondContact N-O 3.32Å; I555-Q570 PolarHBondContact O-N 2.89Å; I555-W579 HydrophobicContact CG1-CH2 3.85Å; I555-W579 HydrophobicContact CG1-CZ3 3.87Å
556	L	95.2	Very high	91.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.1	-168.9	-47.6	99.5	0	0	0	110.4	I297 I299 W321 G545 V569 M585 F592	I297-L556 HydrophobicContact CD1-CD2 4.47Å; I297-L556 HydrophobicContact CG2-CD2 4.18Å; I299-L556 HydrophobicContact CD1-CD2 4.02Å; W321-L556 HydrophobicContact CH2-CD2 3.84Å; W321-L556 HydrophobicContact CZ2-CD2 4.18Å; G545-L556 PolarHBondContact N-O 2.86Å; G545-L556 PolarHBondContact O-N 3.07Å; L556-V569 HydrophobicContact CD2-CG1 4.04Å; L556-V569 HydrophobicContact CD2-CG2 4.46Å; L556-V569 HydrophobicContact CG-CG1 4.08Å; L556-M585 HydrophobicContact CB-SD 4.17Å; L556-F592 HydrophobicContact CB-CE2 4.44Å; L556-F592 HydrophobicContact CB-CZ 4.03Å; L556-F592 VanDerWaalsContact O-CZ 3.23Å; L556-F592 WeakPolarHBondContact O-CZ 3.36Å
557	G	94.6	Very high	91.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.			trans	59.3	-143	173	0	0	0	0	0	114.1	T566 E568	G557-T566 WeakPolarHBondContact CA-O 3.28Å; G557-E568 PolarHBondContact N-O 3.05Å
558	G	92.2	Very high	91.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.			trans	102.7	-171.2	-177.1	0	0	0	0	0	112.8	F542 I565 T566 L589	F542-G558 CarbonylContact O-C 3.52Å; F542-G558 WeakPolarHBondContact O-CA 3.34Å; G558-I565 WeakPolarHBondContact O-CA 3.48Å; G558-I565 WeakPolarHBondContact O-CG2 3.25Å; G558-T566 PolarHBondContact O-N 3.44Å; G558-L589 PolarHBondContact N-O 2.9Å
559	D	89.2	Confident	91.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.011	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.3	178.5	58.3	-87.3	0	0	0	113.1	R359 F542 N543 A561 E564 T590	R359-D559 IonicContact CZ-OD2 2.61Å; R359-D559 IonicContact NH2-OD2 3.19Å; R359-D559 PolarHBondContact NH2-OD2 2.92Å; F542-D559 PolarHBondContact N-O 2.63Å; F542-D559 PolarHBondContact O-N 2.8Å; N543-D559 PolarHBondContact ND2-OD1 3.04Å; D559-A561 WeakPolarHBondContact CB-O 3.33Å; D559-E564 WeakPolarHBondContact CA-O 3.3Å; D559-T590 PolarHBondContact OD1-OG1 2.87Å
560	Y	86.9	Confident	91.6	Very high	83 Å²	83	43.5 Å²	43.5	33%	0.325	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-35.4	169.2	-69.5	-72.7	0	0	0	110.3	C539 A540 E564 T566 E568	C539-Y560 WeakPolarHBondContact CA-OH 3.38Å; A540-Y560 HydrophobicContact CB-CD1 3.96Å; A540-Y560 HydrophobicContact CB-CD2 3.86Å; A540-Y560 HydrophobicContact CB-CE1 3.96Å; A540-Y560 HydrophobicContact CB-CE2 3.87Å; A540-Y560 HydrophobicContact CB-CG 3.9Å; A540-Y560 PolarHBondContact N-OH 3.01Å; Y560-E564 HydrophobicContact CD2-CG 4.16Å; Y560-E564 PolarHBondContact N-O 3.01Å; Y560-T566 HydrophobicContact CE2-CG2 4.17Å; Y560-E568 PolarHBondContact OH-OE2 2.86Å
561	A	83.6	Confident	91.9	Very high	38 Å²	38	38.3 Å²	38.3	31%	0.314	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	162.6	174.9	0	0	0	0	0	108.6	D559 D563 E564	D559-A561 WeakPolarHBondContact CB-O 3.33Å; A561-D563 PolarHBondContact O-N 3.2Å; A561-E564 HydrophobicContact CB-CB 4.11Å; A561-E564 PolarHBondContact O-N 2.88Å
562	P	80	Confident	92	Very high	86 Å²	86	36.6 Å²	36.6	56%	0.558	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-31.2	-175.6	-28.4	33	0	0	0	116.4
563	D	83.4	Confident	91.9	Very high	164 Å²	164	34.8 Å²	34.8	88%	0.877	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107	5	-179.2	-57.8	-53.4	0	0	0	113.2	A561	A561-D563 PolarHBondContact O-N 3.2Å
564	E	91	Very high	91.6	Very high	115 Å²	115	36 Å²	36	54%	0.537	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	79.7	-175.8	-168	176.8	-168.5	0	0	109.9	D559 Y560 A561	D559-E564 WeakPolarHBondContact CA-O 3.3Å; Y560-E564 HydrophobicContact CD2-CG 4.16Å; Y560-E564 PolarHBondContact N-O 3.01Å; A561-E564 HydrophobicContact CB-CB 4.11Å; A561-E564 PolarHBondContact O-N 2.88Å
565	I	92.8	Very high	91.2	Very high	73 Å²	73	40.9 Å²	40.9	37%	0.374	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138	-180	-52.9	169.5	0	0	0	108.9	G558 A588 T590	G558-I565 WeakPolarHBondContact O-CA 3.48Å; G558-I565 WeakPolarHBondContact O-CG2 3.25Å; I565-A588 HydrophobicContact CB-CB 4.31Å; I565-A588 HydrophobicContact CG2-CB 3.93Å; I565-T590 HydrophobicContact CD1-CG2 3.79Å; I565-T590 HydrophobicContact CG1-CG2 4.05Å; I565-T590 HydrophobicContact CG2-CG2 4.35Å
566	T	94.2	Very high	91	Very high	11 Å²	11	46.3 Å²	46.3	7%	0.067	24%	0.238	C	C	.	.			trans	-110.5	155.2	180	-169.6	0	0	0	0	112.8	A540 G557 G558 Y560 E568 A588 L589	A540-T566 HydrophobicContact CB-CG2 3.38Å; G557-T566 WeakPolarHBondContact CA-O 3.28Å; G558-T566 PolarHBondContact O-N 3.44Å; Y560-T566 HydrophobicContact CE2-CG2 4.17Å; T566-E568 HydrophobicContact CG2-CB 4.31Å; T566-E568 WeakPolarHBondContact OG1-CB 3.48Å; T566-E568 WeakPolarHBondContact OG1-CG 3.31Å; T566-E568 PolarHBondContact OG1-N 3.28Å; T566-E568 VanDerWaalsContact OG1-N 3.13Å; T566-E568 PolarHBondContact OG1-OE2 3.27Å; T566-A588 VanDerWaalsContact C-CB 3.45Å; T566-A588 VanDerWaalsContact O-CA 3.3Å; T566-A588 WeakPolarHBondContact O-CA 3.35Å; T566-L589 PolarHBondContact O-N 3.02Å
567	D	95.2	Very high	90.6	Very high	61 Å²	61	49.4 Å²	49.4	33%	0.326	26%	0.26	S	S	.	.			trans	-103.5	3	167.8	58.6	-4.7	0	0	0	113.1	P584 M585 A588	D567-P584 HydrophobicContact CB-CB 4.5Å; D567-P584 CarbonylContact O-C 3.5Å; D567-P584 WeakPolarHBondContact O-CA 3.29Å; D567-M585 HydrophobicContact CB-CB 4.09Å; D567-M585 PolarHBondContact O-N 2.81Å; D567-A588 HydrophobicContact CB-CB 4.13Å
568	E	95.7	Very high	90.4	Very high	69 Å²	69	54.4 Å²	54.4	32%	0.322	28%	0.284	S	S	.	.			trans	-61.1	147.3	-178.1	-71.8	161.4	166.6	0	0	112.6	C539 G557 Y560 T566	C539-E568 HydrophobicContact CB-CB 4.2Å; G557-E568 PolarHBondContact N-O 3.05Å; Y560-E568 PolarHBondContact OH-OE2 2.86Å; T566-E568 HydrophobicContact CG2-CB 4.31Å; T566-E568 WeakPolarHBondContact OG1-CB 3.48Å; T566-E568 WeakPolarHBondContact OG1-CG 3.31Å; T566-E568 PolarHBondContact OG1-N 3.28Å; T566-E568 VanDerWaalsContact OG1-N 3.13Å; T566-E568 PolarHBondContact OG1-OE2 3.27Å
569	V	95.3	Very high	90.4	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.9	178.8	-173.6	0	0	0	0	108.7	W321 Y554 I555 L556 V582 M585	W321-V569 HydrophobicContact CZ2-CG2 3.9Å; Y554-V569 HydrophobicContact CD1-CG1 4.26Å; I555-V569 WeakPolarHBondContact O-CA 3.18Å; L556-V569 HydrophobicContact CD2-CG1 4.04Å; L556-V569 HydrophobicContact CD2-CG2 4.46Å; L556-V569 HydrophobicContact CG-CG1 4.08Å; V569-V582 HydrophobicContact CB-CG2 3.72Å; V569-V582 HydrophobicContact CG1-CG2 3.39Å; V569-V582 PolarHBondContact O-N 3.26Å; V569-V582 VanDerWaalsContact O-N 3.17Å; V569-M585 HydrophobicContact CG2-CG 3.68Å
570	Q	94.3	Very high	90.6	Very high	12 Å²	12	60.5 Å²	60.5	6%	0.056	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.3	178.1	-69.3	-170.2	-28.9	0	0	110.8	C539 Y554 I555 W579 E580 E581	C539-Q570 HydrophobicContact CB-CG 4.01Å; C539-Q570 PolarHBondContact SG-OE1 2.93Å; Y554-Q570 CarbonylContact C-O 3.55Å; Y554-Q570 WeakPolarHBondContact CA-O 3.31Å; I555-Q570 PolarHBondContact N-O 3.32Å; I555-Q570 PolarHBondContact O-N 2.89Å; Q570-W579 HydrophobicContact CB-CE3 3.98Å; Q570-W579 HydrophobicContact CB-CZ3 4.19Å; Q570-E580 CarbonylContact C-O 3.59Å; Q570-E580 WeakPolarHBondContact CA-O 3.26Å; Q570-E581 HydrophobicContact CG-CG 4.09Å
571	V	94.4	Very high	90.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.7	-175.8	-173.2	0	0	0	0	110.3	K552 I553 Y554 W579 E580 V582	K552-V571 HydrophobicContact CB-CG1 3.9Å; K552-V571 HydrophobicContact CD-CG1 3.94Å; K552-V571 HydrophobicContact CG-CG1 4.1Å; I553-V571 CarbonylContact O-C 3.58Å; I553-V571 VanDerWaalsContact O-CA 3.25Å; I553-V571 WeakPolarHBondContact O-CA 3.36Å; Y554-V571 HydrophobicContact CD1-CB 4.5Å; Y554-V571 HydrophobicContact CD1-CG1 4.49Å; Y554-V571 HydrophobicContact CD1-CG2 3.36Å; Y554-V571 HydrophobicContact CD2-CG1 4.44Å; Y554-V571 HydrophobicContact CE1-CB 4.33Å; Y554-V571 HydrophobicContact CE1-CG1 4.12Å; Y554-V571 HydrophobicContact CE1-CG2 3.22Å; Y554-V571 HydrophobicContact CE2-CG1 4.07Å; Y554-V571 HydrophobicContact CG-CG2 4.09Å; V571-W579 CarbonylContact O-C 3.6Å; V571-W579 WeakPolarHBondContact O-CA 3.34Å; V571-E580 HydrophobicContact CB-CG 4Å; V571-E580 PolarHBondContact N-O 3.34Å; V571-E580 PolarHBondContact O-N 2.98Å; V571-V582 HydrophobicContact CB-CG1 4.33Å; V571-V582 HydrophobicContact CG2-CB 4.27Å; V571-V582 HydrophobicContact CG2-CG1 3.54Å; V571-V582 HydrophobicContact CG2-CG2 3.7Å
572	Y	93.7	Very high	91.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.1	169.2	-180	-114.8	0	0	0	110.5	Y512 E534 K552 I553 S577 E578 W579	Y512-Y572 HydrophobicContact CE1-CE1 4.44Å; E534-Y572 HydrophobicContact CB-CE1 4.29Å; E534-Y572 PolarHBondContact O-OH 3.12Å; E534-Y572 PolarHBondContact OE2-OH 3.16Å; K552-Y572 CarbonylContact C-O 3.5Å; K552-Y572 WeakPolarHBondContact CA-O 3.42Å; I553-Y572 HydrophobicContact CD1-CD1 4.04Å; I553-Y572 HydrophobicContact CG1-CD1 4.44Å; I553-Y572 PolarHBondContact N-O 2.57Å; I553-Y572 PolarHBondContact O-N 3.32Å; Y572-S577 WeakPolarHBondContact OH-CA 3.27Å; Y572-S577 WeakPolarHBondContact OH-CB 3.35Å; Y572-S577 PolarHBondContact OH-OG 2.99Å; Y572-E578 WeakPolarHBondContact CA-O 3.34Å; Y572-W579 AromaticContact CD2-CD1 3.82Å; Y572-W579 HydrophobicContact CD2-CD2 4.08Å; Y572-W579 AromaticContact CD2-CE2 3.66Å; Y572-W579 HydrophobicContact CD2-CG 4.19Å; Y572-W579 HydrophobicContact CD2-CZ2 4.16Å; Y572-W579 AromaticContact CD2-NE1 3.46Å; Y572-W579 HydrophobicContact CG-CD2 4.39Å; Y572-W579 AromaticContact CG-CE2 3.98Å; Y572-W579 HydrophobicContact CG-CZ2 4.07Å
573	H	92.4	Very high	92.3	Very high	11 Å²	11	60 Å²	60	5%	0.051	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	107.3	173.7	-68.8	-109.9	0	0	0	109.9	K552 N575 R576 S577 E578 E580	K552-H573 WeakPolarHBondContact CE-CE1 3.24Å; H573-N575 PolarHBondContact O-N 3.03Å; H573-R576 HydrophobicContact CB-CG 3.74Å; H573-R576 PolarHBondContact CD2-NH2 3.21Å; H573-R576 VanDerWaalsContact CD2-NH2 3.26Å; H573-R576 PolarHBondContact CE1-NH2 2.85Å; H573-R576 PolarHBondContact ND1-NH2 2.99Å; H573-R576 PolarHBondContact NE2-NH2 2.84Å; H573-R576 VanDerWaalsContact NE2-NH2 3.18Å; H573-R576 PolarHBondContact O-N 3.01Å; H573-S577 WeakPolarHBondContact O-CA 3.45Å; H573-S577 PolarHBondContact O-N 3.32Å; H573-E578 PolarHBondContact N-O 3.49Å; H573-E580 IonicContact CD2-OE1 2.83Å; H573-E580 IonicContact CD2-OE2 2.79Å; H573-E580 IonicContact CE1-OE1 3.49Å; H573-E580 PolarHBondContact CE1-OE1 2.85Å; H573-E580 IonicContact CE1-OE2 3.55Å; H573-E580 IonicContact NE2-OE1 3.65Å; H573-E580 PolarHBondContact NE2-OE1 2.85Å; H573-E580 IonicContact NE2-OE2 3.78Å; H573-E580 PolarHBondContact NE2-OE2 2.76Å
574	S	88.7	Confident	92.9	Very high	25 Å²	25	55.5 Å²	55.5	18%	0.175	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.9	-177.3	63.2	0	0	0	0	113.8	D551	D551-S574 WeakPolarHBondContact CA-OG 3.17Å; D551-S574 WeakPolarHBondContact O-CB 3.33Å; D551-S574 PolarHBondContact O-N 3.33Å; D551-S574 PolarHBondContact O-OG 3.49Å
575	N	88.2	Confident	93.1	Very high	106 Å²	106	50.2 Å²	50.2	57%	0.567	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-27.5	-179.1	65	9.9	0	0	0	113.9	D551 H573	D551-N575 PolarHBondContact OD2-ND2 2.94Å; H573-N575 PolarHBondContact O-N 3.03Å
576	R	89.7	Confident	93.3	Very high	113 Å²	113	49.3 Å²	49.3	43%	0.426	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-6.5	-176.4	66.8	-172.2	171.2	165.6	-3.9	113.4	H573 E578 E580	H573-R576 HydrophobicContact CB-CG 3.74Å; H573-R576 PolarHBondContact CD2-NH2 3.21Å; H573-R576 VanDerWaalsContact CD2-NH2 3.26Å; H573-R576 PolarHBondContact CE1-NH2 2.85Å; H573-R576 PolarHBondContact ND1-NH2 2.99Å; H573-R576 PolarHBondContact NE2-NH2 2.84Å; H573-R576 VanDerWaalsContact NE2-NH2 3.18Å; H573-R576 PolarHBondContact O-N 3.01Å; R576-E578 VanDerWaalsContact CD-OE2 3.26Å; R576-E578 WeakPolarHBondContact CD-OE2 3.47Å; R576-E578 HydrophobicContact CG-CB 3.96Å; R576-E578 HydrophobicContact CG-CG 4.01Å; R576-E578 IonicContact CZ-OE2 2.8Å; R576-E578 IonicContact NE-OE2 2.78Å; R576-E578 IonicContact NH1-OE2 3.49Å; R576-E580 IonicContact NH2-OE2 3.38Å; R576-E580 PolarHBondContact NH2-OE2 3.47Å
577	S	87.9	Confident	93.3	Very high	66 Å²	66	54.3 Å²	54.3	46%	0.462	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	46.9	-178.8	-59.2	0	0	0	0	113.7	Y572 H573	Y572-S577 WeakPolarHBondContact OH-CA 3.27Å; Y572-S577 WeakPolarHBondContact OH-CB 3.35Å; Y572-S577 PolarHBondContact OH-OG 2.99Å; H573-S577 WeakPolarHBondContact O-CA 3.45Å; H573-S577 PolarHBondContact O-N 3.32Å
578	E	90.8	Very high	93.2	Very high	104 Å²	104	53 Å²	53	49%	0.486	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.4	-178.6	-64.8	175.3	168.3	0	0	111.4	Y572 H573 R576	Y572-E578 WeakPolarHBondContact CA-O 3.34Å; H573-E578 PolarHBondContact N-O 3.49Å; R576-E578 VanDerWaalsContact CD-OE2 3.26Å; R576-E578 WeakPolarHBondContact CD-OE2 3.47Å; R576-E578 HydrophobicContact CG-CB 3.96Å; R576-E578 HydrophobicContact CG-CG 4.01Å; R576-E578 IonicContact CZ-OE2 2.8Å; R576-E578 IonicContact NE-OE2 2.78Å; R576-E578 IonicContact NH1-OE2 3.49Å
579	W	91.8	Very high	93.1	Very high	63 Å²	63	50 Å²	50	24%	0.239	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	142.1	171.9	-71	90.3	0	0	0	110.7	V521 S536 F537 I555 Q570 V571 Y572	V521-W579 HydrophobicContact CB-CZ2 4.46Å; V521-W579 HydrophobicContact CG2-CH2 3.93Å; V521-W579 HydrophobicContact CG2-CZ2 3.6Å; S536-W579 VanDerWaalsContact O-CD1 3.26Å; S536-W579 PolarHBondContact O-NE1 3.44Å; F537-W579 HydrophobicContact CB-CD2 4.21Å; F537-W579 HydrophobicContact CB-CE3 4.04Å; F537-W579 HydrophobicContact CB-CH2 3.63Å; F537-W579 HydrophobicContact CB-CZ2 3.8Å; F537-W579 HydrophobicContact CB-CZ3 3.75Å; F537-W579 AromaticContact CD1-CH2 3.81Å; F537-W579 HydrophobicContact CD1-CH2 3.81Å; F537-W579 AromaticContact CD1-CZ2 3.93Å; F537-W579 HydrophobicContact CD1-CZ2 3.93Å; F537-W579 HydrophobicContact CG-CH2 4.07Å; F537-W579 HydrophobicContact CG-CZ2 4.35Å; I555-W579 HydrophobicContact CG1-CH2 3.85Å; I555-W579 HydrophobicContact CG1-CZ3 3.87Å; Q570-W579 HydrophobicContact CB-CE3 3.98Å; Q570-W579 HydrophobicContact CB-CZ3 4.19Å; V571-W579 CarbonylContact O-C 3.6Å; V571-W579 WeakPolarHBondContact O-CA 3.34Å; Y572-W579 AromaticContact CD2-CD1 3.82Å; Y572-W579 HydrophobicContact CD2-CD2 4.08Å; Y572-W579 AromaticContact CD2-CE2 3.66Å; Y572-W579 HydrophobicContact CD2-CG 4.19Å; Y572-W579 HydrophobicContact CD2-CZ2 4.16Å; Y572-W579 AromaticContact CD2-NE1 3.46Å; Y572-W579 HydrophobicContact CG-CD2 4.39Å; Y572-W579 AromaticContact CG-CE2 3.98Å; Y572-W579 HydrophobicContact CG-CZ2 4.07Å
580	E	92.9	Very high	92.9	Very high	67 Å²	67	50.1 Å²	50.1	31%	0.313	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149	171.2	68	-175.8	-169.5	0	0	110.8	Q570 V571 H573 R576 V582	Q570-E580 CarbonylContact C-O 3.59Å; Q570-E580 WeakPolarHBondContact CA-O 3.26Å; V571-E580 HydrophobicContact CB-CG 4Å; V571-E580 PolarHBondContact N-O 3.34Å; V571-E580 PolarHBondContact O-N 2.98Å; H573-E580 IonicContact CD2-OE1 2.83Å; H573-E580 IonicContact CD2-OE2 2.79Å; H573-E580 IonicContact CE1-OE1 3.49Å; H573-E580 PolarHBondContact CE1-OE1 2.85Å; H573-E580 IonicContact CE1-OE2 3.55Å; H573-E580 IonicContact NE2-OE1 3.65Å; H573-E580 PolarHBondContact NE2-OE1 2.85Å; H573-E580 IonicContact NE2-OE2 3.78Å; H573-E580 PolarHBondContact NE2-OE2 2.76Å; R576-E580 IonicContact NH2-OE2 3.38Å; R576-E580 PolarHBondContact NH2-OE2 3.47Å; E580-V582 HydrophobicContact CG-CG1 4.25Å
581	E	93.8	Very high	92.6	Very high	138 Å²	138	50.5 Å²	50.5	65%	0.645	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.2	166.2	-73.2	178.1	-179.8	0	0	109.6	Q570	Q570-E581 HydrophobicContact CG-CG 4.09Å
582	V	95.1	Very high	92.5	Very high	21 Å²	21	51.8 Å²	51.8	13%	0.127	27%	0.265	C	S	.	.			trans	-120.3	-178.7	174.6	-61.3	0	0	0	0	109.6	V569 V571 E580	V569-V582 HydrophobicContact CB-CG2 3.72Å; V569-V582 HydrophobicContact CG1-CG2 3.39Å; V569-V582 PolarHBondContact O-N 3.26Å; V569-V582 VanDerWaalsContact O-N 3.17Å; V571-V582 HydrophobicContact CB-CG1 4.33Å; V571-V582 HydrophobicContact CG2-CB 4.27Å; V571-V582 HydrophobicContact CG2-CG1 3.54Å; V571-V582 HydrophobicContact CG2-CG2 3.7Å; E580-V582 HydrophobicContact CG-CG1 4.25Å
583	S	96.3	Very high	92.4	Very high	37 Å²	37	53.2 Å²	53.2	26%	0.259	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-52.2	128.9	-178.9	-65.7	0	0	0	0	111.5	D319 W321	D319-S583 VanDerWaalsContact CG-OG 3.3Å; D319-S583 PolarHBondContact O-OG 3.15Å; D319-S583 WeakPolarHBondContact OD1-CB 3.25Å; D319-S583 PolarHBondContact OD1-N 3.39Å; D319-S583 PolarHBondContact OD1-OG 2.89Å; D319-S583 PolarHBondContact OD2-OG 3.14Å; W321-S583 PolarHBondContact NE1-O 2.87Å
584	P	96.3	Very high	92.5	Very high	71 Å²	71	53.5 Å²	53.5	46%	0.461	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-66.8	154	179	28.9	-35.1	0	0	0	110.5	W321 D567	W321-P584 PolarHBondContact NE1-O 3.24Å; D567-P584 HydrophobicContact CB-CB 4.5Å; D567-P584 CarbonylContact O-C 3.5Å; D567-P584 WeakPolarHBondContact O-CA 3.29Å
585	M	96.4	Very high	92.8	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.015	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-56.7	152	174.6	-62.1	-169.4	-65.1	0	0	110.3	I299 W321 L556 D567 V569 R587 L589 F592	I299-M585 HydrophobicContact CD1-CG 4.42Å; I299-M585 HydrophobicContact CD1-SD 3.56Å; I299-M585 VanDerWaalsContact CD1-SD 3.56Å; W321-M585 HydrophobicContact CH2-CG 3.77Å; W321-M585 HydrophobicContact CH2-SD 4.46Å; W321-M585 HydrophobicContact CZ2-CB 4.4Å; W321-M585 HydrophobicContact CZ2-CG 3.66Å; W321-M585 HydrophobicContact CZ3-CG 4.44Å; L556-M585 HydrophobicContact CB-SD 4.17Å; D567-M585 HydrophobicContact CB-CB 4.09Å; D567-M585 PolarHBondContact O-N 2.81Å; V569-M585 HydrophobicContact CG2-CG 3.68Å; M585-R587 WeakPolarHBondContact CB-O 3.44Å; M585-R587 PolarHBondContact O-N 2.89Å; M585-L589 HydrophobicContact CE-CB 4.24Å; M585-F592 HydrophobicContact CE-CE1 4.4Å; M585-F592 HydrophobicContact CE-CZ 4.34Å; M585-F592 HydrophobicContact SD-CZ 4.1Å
586	P	95.9	Very high	93.1	Very high	54 Å²	54	51.2 Å²	51.2	35%	0.351	26%	0.259	S	S	.	.	S	Bend	trans	-60.5	-15.2	177	-25.3	35.7	0	0	0	114.4	F312 W321 I323	F312-P586 HydrophobicContact CD1-CB 4.29Å; F312-P586 HydrophobicContact CD1-CG 3.97Å; F312-P586 HydrophobicContact CE1-CB 4.04Å; F312-P586 HydrophobicContact CE1-CG 4.23Å; F312-P586 HydrophobicContact CG-CG 4.15Å; F312-P586 HydrophobicContact CZ-CB 4.26Å; W321-P586 HydrophobicContact CB-CG 3.62Å; W321-P586 HydrophobicContact CD2-CG 4.35Å; W321-P586 HydrophobicContact CE3-CG 4.42Å; W321-P586 HydrophobicContact CG-CG 4.03Å; I323-P586 HydrophobicContact CD1-CB 3.99Å; I323-P586 HydrophobicContact CG1-CB 3.92Å; I323-P586 HydrophobicContact CG1-CG 4Å
587	R	94.5	Very high	93.3	Very high	117 Å²	117	45.9 Å²	45.9	44%	0.442	24%	0.239	S	C	.	.	S	Bend	trans	-157.3	147.3	179.2	-173.1	168.6	-172.6	161	-7.5	110.4	E303 Y310 F312 M585 L589	E303-R587 IonicContact OE1-NH2 3.1Å; Y310-R587 VanDerWaalsContact CZ-CZ 3.48Å; Y310-R587 PolarHBondContact OH-NH1 3Å; Y310-R587 PolarHBondContact OH-NH2 3.15Å; F312-R587 HydrophobicContact CE2-CB 4.41Å; F312-R587 HydrophobicContact CZ-CB 4.01Å; M585-R587 WeakPolarHBondContact CB-O 3.44Å; M585-R587 PolarHBondContact O-N 2.89Å; R587-L589 HydrophobicContact CG-CD2 4.42Å; R587-L589 PolarHBondContact O-N 3.35Å
588	A	94.4	Very high	93.5	Very high	34 Å²	34	45.3 Å²	45.3	28%	0.281	23%	0.229	S	C	.	.			trans	-68.3	125.5	173	0	0	0	0	0	110.8	I565 T566 D567	I565-A588 HydrophobicContact CB-CB 4.31Å; I565-A588 HydrophobicContact CG2-CB 3.93Å; T566-A588 VanDerWaalsContact C-CB 3.45Å; T566-A588 VanDerWaalsContact O-CA 3.3Å; T566-A588 WeakPolarHBondContact O-CA 3.35Å; D567-A588 HydrophobicContact CB-CB 4.13Å
589	L	92.6	Very high	93.6	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.206	C	C	.	.			trans	-135.2	145.2	-178.9	-58.9	-178.9	0	0	0	110.8	I299 K301 Y310 F312 G558 T566 M585 R587 F592	I299-L589 HydrophobicContact CG2-CD1 3.86Å; K301-L589 HydrophobicContact CB-CD1 4.24Å; K301-L589 HydrophobicContact CD-CB 4.36Å; K301-L589 HydrophobicContact CD-CD2 3.98Å; Y310-L589 HydrophobicContact CD2-CD2 3.87Å; Y310-L589 HydrophobicContact CG-CD2 4.47Å; F312-L589 HydrophobicContact CD2-CD1 4.18Å; F312-L589 HydrophobicContact CE2-CD1 3.58Å; F312-L589 HydrophobicContact CE2-CG 4.3Å; G558-L589 PolarHBondContact N-O 2.9Å; T566-L589 PolarHBondContact O-N 3.02Å; M585-L589 HydrophobicContact CE-CB 4.24Å; R587-L589 HydrophobicContact CG-CD2 4.42Å; R587-L589 PolarHBondContact O-N 3.35Å; L589-F592 HydrophobicContact CB-CD1 3.53Å; L589-F592 HydrophobicContact CB-CE1 3.84Å; L589-F592 HydrophobicContact CB-CG 4.27Å; L589-F592 HydrophobicContact CD1-CD1 4.47Å; L589-F592 HydrophobicContact CD1-CG 4.44Å; L589-F592 WeakPolarHBondContact O-CE1 3.4Å
590	T	91.5	Very high	93.6	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.037	20%	0.195	C	C	.	.	S	Bend	trans	-126.1	148.4	168.2	179.2	0	0	0	0	108.5	K301 V358 N543 D559 I565	K301-T590 WeakPolarHBondContact CD-O 3.2Å; K301-T590 VanDerWaalsContact CE-O 3.26Å; K301-T590 WeakPolarHBondContact CE-O 3.35Å; K301-T590 PolarHBondContact NZ-O 2.7Å; V358-T590 HydrophobicContact CG1-CG2 4.22Å; V358-T590 HydrophobicContact CG2-CG2 4.42Å; N543-T590 WeakPolarHBondContact CB-OG1 3.39Å; D559-T590 PolarHBondContact OD1-OG1 2.87Å; I565-T590 HydrophobicContact CD1-CG2 3.79Å; I565-T590 HydrophobicContact CG1-CG2 4.05Å; I565-T590 HydrophobicContact CG2-CG2 4.35Å
591	E	87.8	Confident	93.4	Very high	20 Å²	20	37.5 Å²	37.5	9%	0.093	19%	0.194	C	C	.	.	S	Bend	trans	49.2	76.2	178.3	-164.3	-177.8	146.2	0	0	113.4	K301 V358 R359 H361 N543	K301-E591 PolarHBondContact NZ-O 3.23Å; K301-E591 VanDerWaalsContact NZ-O 3.14Å; V358-E591 WeakPolarHBondContact CA-OE2 3.34Å; R359-E591 PolarHBondContact N-OE2 2.73Å; H361-E591 WeakPolarHBondContact CA-OE1 3.44Å; H361-E591 IonicContact CE1-OE1 3.14Å; H361-E591 IonicContact CG-OE1 2.79Å; H361-E591 VanDerWaalsContact ND1-CD 3.35Å; H361-E591 IonicContact ND1-OE1 2.67Å; H361-E591 PolarHBondContact ND1-OE1 3.37Å; H361-E591 IonicContact ND1-OE2 3.2Å; N543-E591 HydrophobicContact CB-CB 4.28Å; N543-E591 PolarHBondContact O-N 3.16Å; N543-E591 VanDerWaalsContact O-N 3.16Å
592	F	91.6	Very high	93.1	Very high	26 Å²	26	34.4 Å²	34.4	11%	0.114	18%	0.177	C	C	.	.			trans	-135.8	161.5	-178	56.5	-94.1	0	0	0	110.8	I299 K301 L556 M585 L589 C594	I299-F592 HydrophobicContact CD1-CD2 4.43Å; I299-F592 HydrophobicContact CD1-CE2 3.82Å; I299-F592 HydrophobicContact CD1-CZ 4.47Å; I299-F592 HydrophobicContact CG1-CD2 4.38Å; I299-F592 HydrophobicContact CG1-CE2 4.14Å; I299-F592 HydrophobicContact CG2-CD2 3.62Å; I299-F592 HydrophobicContact CG2-CE2 4.05Å; I299-F592 HydrophobicContact CG2-CG 4.23Å; K301-F592 HydrophobicContact CB-CB 3.76Å; K301-F592 HydrophobicContact CD-CB 4.31Å; K301-F592 HydrophobicContact CG-CB 4.22Å; L556-F592 HydrophobicContact CB-CE2 4.44Å; L556-F592 HydrophobicContact CB-CZ 4.03Å; L556-F592 VanDerWaalsContact O-CZ 3.23Å; L556-F592 WeakPolarHBondContact O-CZ 3.36Å; M585-F592 HydrophobicContact CE-CE1 4.4Å; M585-F592 HydrophobicContact CE-CZ 4.34Å; M585-F592 HydrophobicContact SD-CZ 4.1Å; L589-F592 HydrophobicContact CB-CD1 3.53Å; L589-F592 HydrophobicContact CB-CE1 3.84Å; L589-F592 HydrophobicContact CB-CG 4.27Å; L589-F592 HydrophobicContact CD1-CD1 4.47Å; L589-F592 HydrophobicContact CD1-CG 4.44Å; L589-F592 WeakPolarHBondContact O-CE1 3.4Å; F592-C594 HydrophobicContact CD2-CB 4.35Å; F592-C594 HydrophobicContact CE2-CB 4.14Å
593	Y	92.9	Very high	92.8	Very high	30 Å²	30	35.1 Å²	35.1	12%	0.118	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.1	171	-64.9	-57.3	0	0	0	110.6	I299 H300 D331 S335 L337 L346 R356	I299-Y593 VanDerWaalsContact CA-O 3.28Å; I299-Y593 WeakPolarHBondContact CA-O 3.14Å; H300-Y593 PolarHBondContact N-O 2.59Å; H300-Y593 PolarHBondContact O-N 3Å; D331-Y593 WeakPolarHBondContact OD1-CE2 3.18Å; S335-Y593 PolarHBondContact O-OH 3.32Å; S335-Y593 PolarHBondContact OG-OH 3.17Å; L337-Y593 HydrophobicContact CB-CD1 3.87Å; L337-Y593 HydrophobicContact CB-CE1 4.22Å; L337-Y593 HydrophobicContact CB-CG 4.06Å; L337-Y593 HydrophobicContact CD1-CD2 3.96Å; L337-Y593 HydrophobicContact CD1-CG 3.98Å; L346-Y593 HydrophobicContact CD1-CE2 4.38Å; R356-Y593 VanDerWaalsContact NH2-CZ 3.31Å; R356-Y593 PolarHBondContact NH2-OH 2.89Å
594	C	93.8	Very high	92.5	Very high	17 Å²	17	34 Å²	34	12%	0.115	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.9	172.2	-161	0	0	0	0	108.4	I297 F298 I547 F592	I297-C594 WeakPolarHBondContact CG2-SG 3.43Å; F298-C594 WeakPolarHBondContact O-CA 3.35Å; I547-C594 HydrophobicContact CD1-CB 4.38Å; I547-C594 HydrophobicContact CG1-CB 4.11Å; I547-C594 WeakPolarHBondContact CG1-SG 3.1Å; F592-C594 HydrophobicContact CD2-CB 4.35Å; F592-C594 HydrophobicContact CE2-CB 4.14Å
595	Q	95	Very high	92.1	Very high	53 Å²	53	32.9 Å²	32.9	25%	0.248	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	148.8	176.6	-76.8	-57.9	-11.4	0	0	112.1	F298 L337	F298-Q595 PolarHBondContact N-O 3.17Å; F298-Q595 PolarHBondContact O-N 3.18Å; L337-Q595 HydrophobicContact CD2-CB 3.94Å; L337-Q595 HydrophobicContact CD2-CG 3.39Å; L337-Q595 PolarHBondContact O-NE2 2.93Å
596	V	94.7	Very high	91.6	Very high	31 Å²	31	33.4 Å²	33.4	19%	0.188	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	132.9	167.1	177.9	0	0	0	0	108.7	Y296 S339 I547 I549	Y296-V596 WeakPolarHBondContact O-CA 3.37Å; S339-V596 WeakPolarHBondContact CB-O 3.36Å; S339-V596 PolarHBondContact OG-O 3.07Å; I547-V596 HydrophobicContact CD1-CG2 4.45Å; I547-V596 HydrophobicContact CG2-CG2 3.27Å; I549-V596 HydrophobicContact CB-CG2 4.32Å; I549-V596 HydrophobicContact CD1-CG1 3.75Å; I549-V596 HydrophobicContact CD1-CG2 4.19Å
597	I	93.5	Very high	90.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.5	169.2	-174.1	172	0	0	0	109.7	K295 Y296 F298 I344 P378 F599 W606	K295-I597 CarbonylContact C-O 3.34Å; K295-I597 WeakPolarHBondContact CA-O 3.48Å; Y296-I597 PolarHBondContact N-O 2.81Å; Y296-I597 PolarHBondContact O-N 3.31Å; F298-I597 HydrophobicContact CB-CG2 4.05Å; I344-I597 HydrophobicContact CD1-CD1 3.86Å; I344-I597 HydrophobicContact CG1-CD1 3.94Å; P378-I597 HydrophobicContact CG-CD1 3.89Å; I597-F599 HydrophobicContact CD1-CE1 4.2Å; I597-F599 HydrophobicContact CD1-CE2 3.79Å; I597-F599 HydrophobicContact CD1-CZ 3.42Å; I597-F599 VanDerWaalsContact CD1-CZ 3.42Å; I597-F599 HydrophobicContact CG1-CE2 3.9Å; I597-F599 HydrophobicContact CG1-CZ 3.98Å; I597-F599 HydrophobicContact CG2-CE2 4Å; I597-W606 HydrophobicContact CD1-CH2 4.14Å; I597-W606 HydrophobicContact CG2-CE3 4.43Å; I597-W606 HydrophobicContact CG2-CH2 3.64Å; I597-W606 HydrophobicContact CG2-CZ3 3.31Å
598	Q	92.2	Very high	89.2	Confident	53 Å²	53	34.3 Å²	34.3	25%	0.248	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.6	-177	-175	175.9	-9.7	0	0	109.6	T293 E294 K295 G341 E342	T293-Q598 VanDerWaalsContact CB-NE2 3.35Å; T293-Q598 HydrophobicContact CG2-CG 4.12Å; T293-Q598 PolarHBondContact OG1-NE2 2.99Å; E294-Q598 CarbonylContact O-C 3.56Å; E294-Q598 VanDerWaalsContact O-CA 3.31Å; E294-Q598 WeakPolarHBondContact O-CA 3.35Å; K295-Q598 HydrophobicContact CG-CB 4.16Å; K295-Q598 HydrophobicContact CG-CG 3.96Å; G341-Q598 CarbonylContact C-O 3.59Å; E342-Q598 WeakPolarHBondContact CA-O 3.45Å
599	F	92.4	Very high	86.8	Confident	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.7	174.3	-68.2	-78.3	0	0	0	111	T293 E294 Y296 E342 P378 V379 I597 D604 P605 W606	T293-F599 CarbonylContact C-O 3.58Å; T293-F599 WeakPolarHBondContact CA-O 3.39Å; T293-F599 WeakPolarHBondContact CB-O 3.38Å; E294-F599 PolarHBondContact N-O 2.84Å; E294-F599 PolarHBondContact O-N 3.33Å; Y296-F599 AromaticContact CD2-CD2 3.9Å; Y296-F599 HydrophobicContact CD2-CD2 3.9Å; Y296-F599 HydrophobicContact CD2-CE2 4.33Å; Y296-F599 HydrophobicContact CE2-CD2 4.01Å; E342-F599 HydrophobicContact CB-CD1 3.77Å; E342-F599 HydrophobicContact CB-CE1 3.91Å; E342-F599 HydrophobicContact CG-CD1 4.04Å; P378-F599 HydrophobicContact CB-CE1 3.93Å; P378-F599 HydrophobicContact CB-CZ 3.61Å; P378-F599 HydrophobicContact CG-CE1 4.18Å; P378-F599 HydrophobicContact CG-CZ 3.77Å; V379-F599 HydrophobicContact CG2-CD1 4.34Å; V379-F599 HydrophobicContact CG2-CE1 4.14Å; I597-F599 HydrophobicContact CD1-CE1 4.2Å; I597-F599 HydrophobicContact CD1-CE2 3.79Å; I597-F599 HydrophobicContact CD1-CZ 3.42Å; I597-F599 VanDerWaalsContact CD1-CZ 3.42Å; I597-F599 HydrophobicContact CG1-CE2 3.9Å; I597-F599 HydrophobicContact CG1-CZ 3.98Å; I597-F599 HydrophobicContact CG2-CE2 4Å; F599-D604 HydrophobicContact CB-CB 3.87Å; F599-D604 HydrophobicContact CG-CB 4.5Å; F599-P605 HydrophobicContact CE1-CG 4.1Å; F599-P605 HydrophobicContact CZ-CG 4.16Å; F599-W606 HydrophobicContact CD2-CE3 4.26Å; F599-W606 AromaticContact CE2-CD2 3.9Å; F599-W606 HydrophobicContact CE2-CD2 3.9Å; F599-W606 AromaticContact CE2-CE3 3.5Å; F599-W606 HydrophobicContact CE2-CE3 3.5Å; F599-W606 AromaticContact CE2-CH2 3.79Å; F599-W606 HydrophobicContact CE2-CH2 3.79Å; F599-W606 HydrophobicContact CE2-CZ2 4.16Å; F599-W606 AromaticContact CE2-CZ3 3.49Å; F599-W606 HydrophobicContact CE2-CZ3 3.49Å; F599-W606 VanDerWaalsContact CE2-CZ3 3.49Å; F599-W606 HydrophobicContact CZ-CD2 4.39Å; F599-W606 HydrophobicContact CZ-CE3 4.32Å; F599-W606 AromaticContact CZ-CH2 4Å; F599-W606 HydrophobicContact CZ-CH2 4Å; F599-W606 HydrophobicContact CZ-CZ2 4.06Å; F599-W606 HydrophobicContact CZ-CZ3 4.18Å
600	N	91.8	Very high	84.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	133	157	-162.2	-45.2	0	0	0	109.2	Q245 T292 E342 Y602 R603 D604	Q245-N600 PolarHBondContact O-ND2 2.74Å; Q245-N600 PolarHBondContact OE1-ND2 2.72Å; T292-N600 PolarHBondContact O-OD1 3.47Å; E342-N600 WeakPolarHBondContact OE1-CB 3.26Å; E342-N600 PolarHBondContact OE1-N 3.46Å; E342-N600 VanDerWaalsContact OE1-N 3.11Å; N600-Y602 VanDerWaalsContact C-N 3.3Å; N600-Y602 HydrophobicContact CB-CD1 4.29Å; N600-Y602 HydrophobicContact CB-CE1 4Å; N600-Y602 PolarHBondContact O-N 2.86Å; N600-Y602 WeakPolarHBondContact OD1-CD1 3.32Å; N600-Y602 VanDerWaalsContact OD1-CE1 3.31Å; N600-Y602 WeakPolarHBondContact OD1-CE1 3.27Å; N600-R603 CarbonylContact O-C 3.56Å; N600-R603 WeakPolarHBondContact O-CA 3.34Å; N600-R603 PolarHBondContact O-N 3.02Å; N600-D604 PolarHBondContact O-N 3.48Å
601	K	90	Very high	81.2	Confident	69 Å²	69	51.4 Å²	51.4	30%	0.3	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-51.2	-43.7	-172	-82	170.7	175.2	176.3	0	113.9	S291 T292 E294 R603 D604	S291-K601 WeakPolarHBondContact O-CE 3.37Å; S291-K601 PolarHBondContact O-NZ 3.44Å; T292-K601 WeakPolarHBondContact O-CG 3.43Å; T292-K601 PolarHBondContact O-N 3.23Å; E294-K601 HydrophobicContact CG-CG 3.81Å; E294-K601 WeakPolarHBondContact OE1-CE 3.33Å; E294-K601 IonicContact OE1-NZ 2.76Å; K601-R603 VanDerWaalsContact C-N 3.28Å; K601-R603 PolarHBondContact O-N 2.93Å; K601-D604 WeakPolarHBondContact O-CB 3.46Å; K601-D604 PolarHBondContact O-N 3.4Å
602	Y	86.6	Confident	78.4	Confident	73 Å²	73	58.7 Å²	58.7	29%	0.286	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-74.6	-18.1	-178.5	80.8	-83.2	0	0	0	113.3	Q245 L246 S247 N600	Q245-Y602 WeakPolarHBondContact O-CE1 3.35Å; Q245-Y602 PolarHBondContact O-OH 2.85Å; L246-Y602 PolarHBondContact O-OH 3.35Å; S247-Y602 PolarHBondContact N-OH 2.84Å; N600-Y602 VanDerWaalsContact C-N 3.3Å; N600-Y602 HydrophobicContact CB-CD1 4.29Å; N600-Y602 HydrophobicContact CB-CE1 4Å; N600-Y602 PolarHBondContact O-N 2.86Å; N600-Y602 WeakPolarHBondContact OD1-CD1 3.32Å; N600-Y602 VanDerWaalsContact OD1-CE1 3.31Å; N600-Y602 WeakPolarHBondContact OD1-CE1 3.27Å
603	R	88	Confident	77.7	Confident	35 Å²	35	60.4 Å²	60.4	13%	0.132	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-100.3	2.1	174.3	-62.7	-169	-66.5	-123.4	-7.7	112.7	H244 E342 V379 N600 K601 P605	H244-R603 PolarHBondContact O-NH1 3.38Å; E342-R603 IonicContact OE1-CZ 3.4Å; E342-R603 VanDerWaalsContact OE1-CZ 3.28Å; E342-R603 IonicContact OE1-NE 2.63Å; E342-R603 PolarHBondContact OE1-NE 3.24Å; E342-R603 IonicContact OE1-NH2 3.83Å; E342-R603 PolarHBondContact OE1-NH2 2.77Å; E342-R603 IonicContact OE2-CZ 3.75Å; E342-R603 IonicContact OE2-NE 3.73Å; E342-R603 PolarHBondContact OE2-NE 3.26Å; E342-R603 IonicContact OE2-NH2 3.77Å; V379-R603 HydrophobicContact CG2-CB 4.48Å; V379-R603 WeakPolarHBondContact CG2-O 3.47Å; N600-R603 CarbonylContact O-C 3.56Å; N600-R603 WeakPolarHBondContact O-CA 3.34Å; N600-R603 PolarHBondContact O-N 3.02Å; K601-R603 VanDerWaalsContact C-N 3.28Å; K601-R603 PolarHBondContact O-N 2.93Å; R603-P605 WeakPolarHBondContact O-CD 3.45Å; R603-P605 VanDerWaalsContact O-N 3.15Å
604	D	90.2	Very high	76.9	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.08	36%	0.355	C	S	.	.			trans	-68.9	109	-174.6	-173.8	-15.4	0	0	0	110.5	Y296 F599 N600 K601 W606 F607	Y296-D604 WeakPolarHBondContact CE2-OD2 3.17Å; Y296-D604 VanDerWaalsContact CZ-OD2 3.25Å; Y296-D604 PolarHBondContact OH-OD2 2.63Å; F599-D604 HydrophobicContact CB-CB 3.87Å; F599-D604 HydrophobicContact CG-CB 4.5Å; N600-D604 PolarHBondContact O-N 3.48Å; K601-D604 WeakPolarHBondContact O-CB 3.46Å; K601-D604 PolarHBondContact O-N 3.4Å; D604-W606 PolarHBondContact O-N 2.91Å; D604-W606 WeakPolarHBondContact OD1-CA 3.14Å; D604-W606 WeakPolarHBondContact OD1-CB 3.3Å; D604-W606 PolarHBondContact OD1-N 3.28Å; D604-F607 HydrophobicContact CB-CB 3.99Å; D604-F607 PolarHBondContact OD1-N 2.94Å
605	P	87.3	Confident	76	Confident	46 Å²	46	64.4 Å²	64.4	30%	0.299	37%	0.368	S	S	.	.	S	Bend	trans	-77.5	-10.2	-179.6	32.9	-30.8	0	0	0	112.1	P378 V379 F599 R603	P378-P605 HydrophobicContact CB-CG 4.1Å; V379-P605 HydrophobicContact CG2-CG 4.31Å; F599-P605 HydrophobicContact CE1-CG 4.1Å; F599-P605 HydrophobicContact CZ-CG 4.16Å; R603-P605 WeakPolarHBondContact O-CD 3.45Å; R603-P605 VanDerWaalsContact O-N 3.15Å
606	W	86	Confident	74.8	Confident	15 Å²	15	65.1 Å²	65.1	6%	0.057	38%	0.376	C	S	.	.	S	Bend	trans	-104.6	-17.2	-173	-58.7	-18.6	0	0	0	112.7	Y296 F298 C313 K322 L324 P378 I597 F599 D604 S608	Y296-W606 HydrophobicContact CD1-CE3 4.26Å; Y296-W606 AromaticContact CD2-CE3 3.83Å; Y296-W606 HydrophobicContact CD2-CE3 3.83Å; Y296-W606 HydrophobicContact CD2-CZ3 4.34Å; Y296-W606 HydrophobicContact CE1-CB 4.36Å; Y296-W606 HydrophobicContact CE2-CE3 4.39Å; Y296-W606 AromaticContact CG-CE3 3.75Å; Y296-W606 HydrophobicContact CG-CE3 3.75Å; Y296-W606 HydrophobicContact CG-CZ3 4.19Å; F298-W606 HydrophobicContact CB-CH2 4.42Å; F298-W606 AromaticContact CD2-CH2 3.57Å; F298-W606 HydrophobicContact CD2-CH2 3.57Å; F298-W606 HydrophobicContact CD2-CZ2 4.13Å; F298-W606 HydrophobicContact CD2-CZ3 4.37Å; F298-W606 HydrophobicContact CE2-CH2 4.28Å; F298-W606 HydrophobicContact CE2-CZ2 4.44Å; F298-W606 HydrophobicContact CG-CH2 4.38Å; C313-W606 HydrophobicContact CB-CD2 4.17Å; C313-W606 HydrophobicContact CB-CE3 3.6Å; C313-W606 HydrophobicContact CB-CH2 4.49Å; C313-W606 HydrophobicContact CB-CZ3 3.73Å; K322-W606 WeakPolarHBondContact CD-O 3.41Å; K322-W606 PolarHBondContact NZ-O 3.2Å; L324-W606 HydrophobicContact CD1-CD2 4.35Å; L324-W606 HydrophobicContact CD1-CH2 4.37Å; L324-W606 HydrophobicContact CD1-CZ2 3.68Å; L324-W606 HydrophobicContact CD2-CG 4.22Å; P378-W606 HydrophobicContact CB-CZ2 3.75Å; P378-W606 HydrophobicContact CG-CZ2 4.09Å; I597-W606 HydrophobicContact CD1-CH2 4.14Å; I597-W606 HydrophobicContact CG2-CE3 4.43Å; I597-W606 HydrophobicContact CG2-CH2 3.64Å; I597-W606 HydrophobicContact CG2-CZ3 3.31Å; F599-W606 HydrophobicContact CD2-CE3 4.26Å; F599-W606 AromaticContact CE2-CD2 3.9Å; F599-W606 HydrophobicContact CE2-CD2 3.9Å; F599-W606 AromaticContact CE2-CE3 3.5Å; F599-W606 HydrophobicContact CE2-CE3 3.5Å; F599-W606 AromaticContact CE2-CH2 3.79Å; F599-W606 HydrophobicContact CE2-CH2 3.79Å; F599-W606 HydrophobicContact CE2-CZ2 4.16Å; F599-W606 AromaticContact CE2-CZ3 3.49Å; F599-W606 HydrophobicContact CE2-CZ3 3.49Å; F599-W606 VanDerWaalsContact CE2-CZ3 3.49Å; F599-W606 HydrophobicContact CZ-CD2 4.39Å; F599-W606 HydrophobicContact CZ-CE3 4.32Å; F599-W606 AromaticContact CZ-CH2 4Å; F599-W606 HydrophobicContact CZ-CH2 4Å; F599-W606 HydrophobicContact CZ-CZ2 4.06Å; F599-W606 HydrophobicContact CZ-CZ3 4.18Å; D604-W606 PolarHBondContact O-N 2.91Å; D604-W606 WeakPolarHBondContact OD1-CA 3.14Å; D604-W606 WeakPolarHBondContact OD1-CB 3.3Å; D604-W606 PolarHBondContact OD1-N 3.28Å; W606-S608 PolarHBondContact O-N 3.29Å
607	F	80.3	Confident	73.6	Confident	108 Å²	108	67.3 Å²	67.3	47%	0.474	39%	0.387	S	S	.	.			trans	-57.8	117.8	169.6	-159.2	-101.9	0	0	0	110.8	D604 N609	D604-F607 HydrophobicContact CB-CB 3.99Å; D604-F607 PolarHBondContact OD1-N 2.94Å; F607-N609 PolarHBondContact O-N 2.78Å
608	S	59.9	Low	72.3	Confident	81 Å²	81	71.7 Å²	71.7	57%	0.566	41%	0.413	S	S	*	.			trans	-84.4	106.4	173.1	54.2	0	0	0	0	109.1	W606 L610	W606-S608 PolarHBondContact O-N 3.29Å; S608-L610 VanDerWaalsContact C-N 3.29Å; S608-L610 PolarHBondContact O-N 2.74Å
609	N	44.9	Very low	70.9	Confident	123 Å²	123	73 Å²	73	66%	0.658	43%	0.425	S	S	*	.			trans	-65.2	99.6	153.2	-83.9	-16.1	0	0	0	107	F607 C611	F607-N609 PolarHBondContact O-N 2.78Å; N609-C611 PolarHBondContact O-N 3.17Å
610	L	36.1	Very low	69.2	Low	166 Å²	166	78.5 Å²	78.5	87%	0.869	46%	0.457	S	S	*	.	S	Bend	trans	-66.7	59.1	152.1	-88.4	158.9	0	0	0	108.3	S608	S608-L610 VanDerWaalsContact C-N 3.29Å; S608-L610 PolarHBondContact O-N 2.74Å
611	C	30.3	Very low	67.3	Low	116 Å²	116	85 Å²	85	78%	0.784	50%	0.495	S	S	*	.			trans	-170.6	80.4	170.9	-93.3	0	0	0	0	107.7	N609	N609-C611 PolarHBondContact O-N 3.17Å
612	A	28.1	Very low	65.2	Low	173 Å²	173	86.5 Å²	86.5	100%	1.43	51%	0.512	S	S	*	.			trans	-124.6	0	150.8	0	0	0	0	0	107.2

Retrieved 612 of 612 residues in 183.8 ms (Link to these results)

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