A0A077ZJD9_TRITR Loading...

Electrogenic sodium bicarbonate cotransporter 1

AlphaFold DB , UniProt , Accession A0A077ZJD9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 546 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	40	Very low	52.5	Low	250 Å²	250	121.7 Å²	121.7	100%	1.232	62%	0.615	S	S	*	*				0	81.3	0	-67.4	-173.1	-174.1	0	0	106.5
2	E	34	Very low	54.8	Low	197 Å²	197	111.8 Å²	111.8	92%	0.921	57%	0.565	S	S	*	*			trans	-90	124.7	-176.1	-71	171.8	151.2	0	0	108.9	R4	E2-R4 PolarHBondContact O-N 2.92Å; E2-R4 VanDerWaalsContact O-N 3.16Å
3	G	39.5	Very low	55.9	Low	85 Å²	85	109.6 Å²	109.6	88%	0.876	56%	0.555	S	S	*	*			trans	72.9	8.6	148.4	0	0	0	0	0	120.3	S5	G3-S5 PolarHBondContact O-N 2.96Å
4	R	40.7	Very low	56.3	Low	200 Å²	200	102 Å²	102	76%	0.755	52%	0.516	S	S	*	.			trans	-68.6	118.9	164.1	-110	-178.6	179.8	169.7	-1.7	107.7	E2 D8	E2-R4 PolarHBondContact O-N 2.92Å; E2-R4 VanDerWaalsContact O-N 3.16Å; R4-D8 HydrophobicContact CG-CB 4.11Å
5	S	45.6	Very low	56.4	Low	58 Å²	58	96.7 Å²	96.7	41%	0.406	49%	0.492	S	S	.	.			trans	-62.2	146.4	176.5	85.3	0	0	0	0	108.2	G3 R7 D8	G3-S5 PolarHBondContact O-N 2.96Å; S5-R7 PolarHBondContact O-N 3.18Å; S5-R7 PolarHBondContact OG-N 3.12Å; S5-D8 PolarHBondContact N-OD2 3.15Å; S5-D8 PolarHBondContact O-N 3.24Å; S5-D8 PolarHBondContact OG-OD2 2.88Å
6	D	50	Low	56.7	Low	112 Å²	112	98.9 Å²	98.9	60%	0.599	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-51.2	-18.1	175	-93.9	-15.9	0	0	0	113.2	R111	D6-R111 PolarHBondContact O-NH1 3.16Å
7	R	50.9	Low	57	Low	221 Å²	221	103.9 Å²	103.9	83%	0.834	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-80.4	-16.5	177.3	-59.4	-170.8	-171.1	-161.2	2.3	114.5	S5 L9	S5-R7 PolarHBondContact O-N 3.18Å; S5-R7 PolarHBondContact OG-N 3.12Å; R7-L9 VanDerWaalsContact C-N 3.33Å
8	D	55.5	Low	57.4	Low	103 Å²	103	101.8 Å²	101.8	55%	0.551	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-86.6	-7.7	178.8	-63.2	-40.8	0	0	0	112.6	R4 S5	R4-D8 HydrophobicContact CG-CB 4.11Å; S5-D8 PolarHBondContact N-OD2 3.15Å; S5-D8 PolarHBondContact O-N 3.24Å; S5-D8 PolarHBondContact OG-OD2 2.88Å
9	L	64.7	Low	57.9	Low	69 Å²	69	102.4 Å²	102.4	36%	0.361	51%	0.514	S	S	.	.	S	Bend	trans	-81	133.5	175.8	-73	162.2	0	0	0	110.1	R7 I11 E14	R7-L9 VanDerWaalsContact C-N 3.33Å; L9-I11 PolarHBondContact O-N 3.32Å; L9-E14 HydrophobicContact CB-CG 4.05Å; L9-E14 WeakPolarHBondContact CB-OE1 3.45Å
10	D	76.9	Confident	58.5	Low	21 Å²	21	99.7 Å²	99.7	11%	0.112	50%	0.5	C	S	.	.			trans	-67.2	131.3	176.4	-163.6	-46.6	0	0	0	110.6	L12 L13 K231 T232 H267	D10-L12 PolarHBondContact O-N 3.36Å; D10-L12 PolarHBondContact OD1-N 3.15Å; D10-L13 HydrophobicContact CB-CD1 4.12Å; D10-L13 HydrophobicContact CB-CG 4.22Å; D10-L13 PolarHBondContact O-N 3.16Å; D10-K231 WeakPolarHBondContact OD2-CA 3.43Å; D10-T232 WeakPolarHBondContact OD1-CB 3.15Å; D10-T232 PolarHBondContact OD1-OG1 2.62Å; D10-T232 PolarHBondContact OD2-N 3.48Å; D10-T232 VanDerWaalsContact OD2-N 3.17Å; D10-T232 PolarHBondContact OD2-OG1 3.09Å; D10-H267 IonicContact OD1-CE1 2.61Å; D10-H267 IonicContact OD1-NE2 3.28Å; D10-H267 PolarHBondContact OD1-NE2 2.7Å; D10-H267 IonicContact OD2-CD2 2.77Å; D10-H267 IonicContact OD2-CE1 3.06Å; D10-H267 IonicContact OD2-NE2 2.72Å; D10-H267 PolarHBondContact OD2-NE2 2.61Å
11	I	80.2	Confident	59.1	Low	23 Å²	23	101.3 Å²	101.3	12%	0.118	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-35.7	-177.8	-57.4	175.7	0	0	0	112	L9 N107	L9-I11 PolarHBondContact O-N 3.32Å; I11-N107 HydrophobicContact CG2-CB 3.83Å; I11-N107 PolarHBondContact O-ND2 3.02Å
12	L	79.5	Confident	60.5	Low	2 Å²	2	92.4 Å²	92.4	1%	0.01	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-21.3	-175.6	-62.1	-173.2	0	0	0	114.9	D10 P15 Q104 T232 T263 I275	D10-L12 PolarHBondContact O-N 3.36Å; D10-L12 PolarHBondContact OD1-N 3.15Å; L12-P15 VanDerWaalsContact O-CD 3.23Å; L12-P15 WeakPolarHBondContact O-CD 3.32Å; L12-Q104 HydrophobicContact CD2-CB 4.1Å; L12-Q104 HydrophobicContact CD2-CG 4.37Å; L12-T232 HydrophobicContact CD1-CG2 4.05Å; L12-T232 WeakPolarHBondContact CD1-OG1 3.27Å; L12-T232 HydrophobicContact CD2-CG2 4.39Å; L12-T232 HydrophobicContact CG-CG2 3.92Å; L12-T232 WeakPolarHBondContact CG-OG1 3.42Å; L12-T263 HydrophobicContact CD1-CG2 3.7Å; L12-I275 HydrophobicContact CD1-CD1 4.09Å; L12-I275 HydrophobicContact CD2-CD1 3.46Å; L12-I275 VanDerWaalsContact CD2-CD1 3.46Å; L12-I275 HydrophobicContact CG-CD1 4.43Å
13	L	69.1	Low	62.1	Low	84 Å²	84	87.8 Å²	87.8	44%	0.44	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-25.6	-178.5	-66.3	178.1	0	0	0	112.3	D10 F16 Y17	D10-L13 HydrophobicContact CB-CD1 4.12Å; D10-L13 HydrophobicContact CB-CG 4.22Å; D10-L13 PolarHBondContact O-N 3.16Å; L13-F16 WeakPolarHBondContact O-CD2 3.46Å; L13-F16 PolarHBondContact O-N 2.94Å; L13-Y17 HydrophobicContact CB-CE2 4.33Å; L13-Y17 WeakPolarHBondContact O-CD2 3.48Å; L13-Y17 WeakPolarHBondContact O-CE2 3.39Å
14	E	62.2	Low	63.1	Low	3 Å²	3	88.6 Å²	88.6	1%	0.014	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-66.2	-28.4	-177	-75.4	-163.9	166.9	0	0	118.4	L9 F16 Y17 V18 R111	L9-E14 HydrophobicContact CB-CG 4.05Å; L9-E14 WeakPolarHBondContact CB-OE1 3.45Å; E14-F16 PolarHBondContact O-N 3.07Å; E14-Y17 PolarHBondContact O-N 2.8Å; E14-V18 HydrophobicContact CB-CG2 4.28Å; E14-V18 HydrophobicContact CG-CG2 4.36Å; E14-V18 PolarHBondContact O-N 3.21Å; E14-R111 IonicContact OE1-CZ 2.62Å; E14-R111 VanDerWaalsContact OE1-CZ 3.28Å; E14-R111 IonicContact OE1-NH1 2.92Å; E14-R111 PolarHBondContact OE1-NH1 2.94Å; E14-R111 IonicContact OE1-NH2 3.47Å; E14-R111 PolarHBondContact OE1-NH2 2.87Å; E14-R111 IonicContact OE2-CZ 3.48Å; E14-R111 IonicContact OE2-NE 2.8Å; E14-R111 PolarHBondContact OE2-NE 3.5Å; E14-R111 IonicContact OE2-NH1 3.14Å; E14-R111 PolarHBondContact OE2-NH1 3.43Å; E14-R111 IonicContact OE2-NH2 3.09Å; E14-R111 PolarHBondContact OE2-NH2 3.42Å
15	P	57.8	Low	63.8	Low	23 Å²	23	79.6 Å²	79.6	15%	0.149	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-52.2	-23.2	175.9	-22.8	31.8	0	0	0	113	L12 F103 Q104 N107	L12-P15 VanDerWaalsContact O-CD 3.23Å; L12-P15 WeakPolarHBondContact O-CD 3.32Å; P15-F103 HydrophobicContact CB-CB 4.45Å; P15-Q104 HydrophobicContact CG-CG 3.84Å; P15-N107 WeakPolarHBondContact CD-ND2 3.47Å; P15-N107 VanDerWaalsContact CG-ND2 3.32Å; P15-N107 WeakPolarHBondContact CG-ND2 3.35Å
16	F	60.8	Low	64.3	Low	132 Å²	132	80.8 Å²	80.8	58%	0.579	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-89.1	-17.3	179	-55.9	-70	0	0	0	114.3	L13 E14 T100	L13-F16 WeakPolarHBondContact O-CD2 3.46Å; L13-F16 PolarHBondContact O-N 2.94Å; E14-F16 PolarHBondContact O-N 3.07Å; F16-T100 HydrophobicContact CE1-CG2 4.07Å; F16-T100 HydrophobicContact CZ-CG2 3.65Å
17	Y	62	Low	64.8	Low	184 Å²	184	81.3 Å²	81.3	72%	0.722	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-22.3	-175.5	-58	-71.1	0	0	0	114.1	L13 E14	L13-Y17 HydrophobicContact CB-CE2 4.33Å; L13-Y17 WeakPolarHBondContact O-CD2 3.48Å; L13-Y17 WeakPolarHBondContact O-CE2 3.39Å; E14-Y17 PolarHBondContact O-N 2.8Å
18	V	63.7	Low	65.1	Low	66 Å²	66	76.3 Å²	76.3	40%	0.4	39%	0.389	S	S	.	.	S	Bend	trans	-115.9	135	-175.1	-176.5	0	0	0	0	110.6	E14 Q20	E14-V18 HydrophobicContact CB-CG2 4.28Å; E14-V18 HydrophobicContact CG-CG2 4.36Å; E14-V18 PolarHBondContact O-N 3.21Å; V18-Q20 PolarHBondContact O-N 3.17Å
19	T	67.8	Low	65.3	Low	113 Å²	113	79.4 Å²	79.4	69%	0.693	40%	0.4	S	S	*	.			trans	-59.6	121.4	175.8	-51.7	0	0	0	0	111
20	Q	68.3	Low	65.4	Low	47 Å²	47	76.7 Å²	76.7	22%	0.22	39%	0.387	C	S	.	.			trans	-91.5	111.5	172.5	-64.4	-154.9	-8.1	0	0	110.5	V18 L22 F103 N107	V18-Q20 PolarHBondContact O-N 3.17Å; Q20-L22 PolarHBondContact O-N 3.2Å; Q20-F103 PolarHBondContact NE2-O 3.22Å; Q20-F103 VanDerWaalsContact OE1-CB 3.29Å; Q20-N107 PolarHBondContact NE2-OD1 3.19Å
21	H	70.9	Confident	65.1	Low	134 Å²	134	76.7 Å²	76.7	62%	0.62	39%	0.387	S	S	*	.			trans	-73.5	118	170.9	-66.9	-74.5	0	0	0	109.9	K106	H21-K106 PolarHBondContact O-NZ 3.16Å
22	L	69.6	Low	64.4	Low	63 Å²	63	75.6 Å²	75.6	33%	0.33	38%	0.381	S	S	.	.			trans	-94.7	113.6	171	-172.7	65.5	0	0	0	108	Q20 I24 D306	Q20-L22 PolarHBondContact O-N 3.2Å; L22-I24 HydrophobicContact CB-CG1 4.26Å; L22-I24 HydrophobicContact CD2-CD1 3.61Å; L22-I24 HydrophobicContact CD2-CG1 3.75Å; L22-I24 HydrophobicContact CG-CD1 4.02Å; L22-I24 HydrophobicContact CG-CG1 3.61Å; L22-I24 PolarHBondContact O-N 3.48Å; L22-I24 VanDerWaalsContact O-N 3.09Å; L22-D306 HydrophobicContact CD1-CB 3.63Å; L22-D306 VanDerWaalsContact CD1-CG 3.47Å; L22-D306 WeakPolarHBondContact CD1-OD1 3.41Å
23	Q	67.9	Low	63.9	Low	101 Å²	101	78.4 Å²	78.4	47%	0.472	39%	0.394	S	S	.	.			trans	-82.3	89.4	179.3	-73.2	-170.5	-9	0	0	110.3	L31 Y303 D306	Q23-L31 VanDerWaalsContact OE1-CD1 3.31Å; Q23-Y303 HydrophobicContact CB-CD2 3.93Å; Q23-Y303 HydrophobicContact CB-CE2 4.02Å; Q23-D306 PolarHBondContact N-OD2 3.06Å
24	I	60.9	Low	64.2	Low	101 Å²	101	80.2 Å²	80.2	52%	0.518	40%	0.395	S	S	.	.			trans	-94.3	104.2	179.9	-51.9	177.3	0	0	0	109.3	L22	L22-I24 HydrophobicContact CB-CG1 4.26Å; L22-I24 HydrophobicContact CD2-CD1 3.61Å; L22-I24 HydrophobicContact CD2-CG1 3.75Å; L22-I24 HydrophobicContact CG-CD1 4.02Å; L22-I24 HydrophobicContact CG-CG1 3.61Å; L22-I24 PolarHBondContact O-N 3.48Å; L22-I24 VanDerWaalsContact O-N 3.09Å
25	G	54.6	Low	64.9	Low	11 Å²	11	80.1 Å²	80.1	11%	0.113	40%	0.395	C	S	.	.			trans	154.3	137	166.4	0	0	0	0	0	115.8	F27	G25-F27 PolarHBondContact O-N 3.27Å
26	N	57.3	Low	65.5	Low	83 Å²	83	79.8 Å²	79.8	44%	0.444	39%	0.391	S	S	.	.			trans	-87.1	76	172	-72	-15.8	0	0	0	109.7
27	F	60.2	Low	66.2	Low	123 Å²	123	75.3 Å²	75.3	54%	0.539	38%	0.376	S	S	.	.			trans	-89.2	148.8	168.4	-48.1	-74.1	0	0	0	109	G25 E29 S30	G25-F27 PolarHBondContact O-N 3.27Å; F27-E29 PolarHBondContact O-N 2.98Å; F27-S30 WeakPolarHBondContact O-CB 3.13Å; F27-S30 PolarHBondContact O-N 2.89Å; F27-S30 PolarHBondContact O-OG 3.45Å
28	P	56.6	Low	66.9	Low	117 Å²	117	69.4 Å²	69.4	76%	0.76	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.1	-178.3	18.9	-29.9	0	0	0	113.6
29	E	59.9	Low	67.2	Low	167 Å²	167	66.6 Å²	66.6	78%	0.78	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	8.3	176	-61.5	-176.1	172	0	0	114.1	F27	F27-E29 PolarHBondContact O-N 2.98Å
30	S	67.3	Low	67.1	Low	13 Å²	13	66.8 Å²	66.8	9%	0.091	32%	0.324	C	S	.	.	S	Bend	trans	-57.8	153	177.4	60.9	0	0	0	0	111.6	F27 A32 E33 R34	F27-S30 WeakPolarHBondContact O-CB 3.13Å; F27-S30 PolarHBondContact O-N 2.89Å; F27-S30 PolarHBondContact O-OG 3.45Å; S30-A32 PolarHBondContact O-N 3.49Å; S30-E33 PolarHBondContact O-N 2.92Å; S30-E33 PolarHBondContact OG-N 3.45Å; S30-R34 PolarHBondContact O-N 3.35Å
31	L	69.8	Low	66.9	Low	20 Å²	20	72.1 Å²	72.1	11%	0.105	35%	0.349	C	S	.	.	H	α-helix	trans	-55.7	-34.2	171.1	-72.1	169.8	0	0	0	110.7	Q23 R34 V35 E300 Y303	Q23-L31 VanDerWaalsContact OE1-CD1 3.31Å; L31-R34 PolarHBondContact O-N 2.98Å; L31-V35 VanDerWaalsContact O-CG2 3.22Å; L31-V35 WeakPolarHBondContact O-CG2 3.41Å; L31-V35 PolarHBondContact O-N 3.2Å; L31-E300 HydrophobicContact CD2-CG 3.89Å; L31-Y303 HydrophobicContact CB-CD1 4.48Å; L31-Y303 HydrophobicContact CB-CD2 4.07Å; L31-Y303 HydrophobicContact CB-CG 3.95Å; L31-Y303 HydrophobicContact CD1-CD2 4.45Å
32	A	66.1	Low	66.6	Low	0 Å²	0	74.2 Å²	74.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-55.9	-59.5	173.9	0	0	0	0	0	112.7	S30 R34 V35 K36 Y303	S30-A32 PolarHBondContact O-N 3.49Å; A32-R34 PolarHBondContact O-N 3.21Å; A32-V35 PolarHBondContact O-N 2.95Å; A32-V35 VanDerWaalsContact O-N 3.16Å; A32-K36 HydrophobicContact CB-CD 4.41Å; A32-K36 VanDerWaalsContact O-CB 3.29Å; A32-K36 WeakPolarHBondContact O-CB 3.08Å; A32-K36 WeakPolarHBondContact O-CG 3.19Å; A32-K36 PolarHBondContact O-N 2.85Å; A32-Y303 HydrophobicContact CB-CD1 4.11Å; A32-Y303 HydrophobicContact CB-CE1 3.22Å; A32-Y303 WeakPolarHBondContact CB-OH 3.34Å
33	E	69.5	Low	66	Low	61 Å²	61	74.6 Å²	74.6	29%	0.285	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-32.5	-176	-78.3	-56.9	137.3	0	0	111.7	S30 K36 S37 R40	S30-E33 PolarHBondContact O-N 2.92Å; S30-E33 PolarHBondContact OG-N 3.45Å; E33-K36 PolarHBondContact O-N 3.45Å; E33-S37 WeakPolarHBondContact O-CB 3.4Å; E33-S37 PolarHBondContact O-N 3Å; E33-S37 PolarHBondContact O-OG 2.91Å; E33-S37 VanDerWaalsContact O-OG 3.09Å; E33-R40 IonicContact OE2-NH1 3.97Å; E33-R40 IonicContact OE2-NH2 3.49Å
34	R	75.4	Confident	65.5	Low	122 Å²	122	74 Å²	74	46%	0.46	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-49.7	171.9	-75.8	-172.3	-78.9	168.2	-7.5	111.9	S30 L31 A32 S37 R38	S30-R34 PolarHBondContact O-N 3.35Å; L31-R34 PolarHBondContact O-N 2.98Å; A32-R34 PolarHBondContact O-N 3.21Å; R34-S37 PolarHBondContact O-N 3.4Å; R34-S37 PolarHBondContact O-OG 2.86Å; R34-R38 WeakPolarHBondContact O-CG 3.35Å; R34-R38 PolarHBondContact O-N 3.22Å
35	V	76.1	Confident	65.1	Low	1 Å²	1	71.4 Å²	71.4	1%	0.006	37%	0.366	C	S	.	.	H	α-helix	trans	-65.7	-42.1	178.3	177.8	0	0	0	0	111.4	L31 A32 R38 G39 I291 E300	L31-V35 VanDerWaalsContact O-CG2 3.22Å; L31-V35 WeakPolarHBondContact O-CG2 3.41Å; L31-V35 PolarHBondContact O-N 3.2Å; A32-V35 PolarHBondContact O-N 2.95Å; A32-V35 VanDerWaalsContact O-N 3.16Å; V35-R38 PolarHBondContact O-N 3.12Å; V35-G39 PolarHBondContact O-N 3.36Å; V35-I291 HydrophobicContact CG1-CB 4.35Å; V35-I291 HydrophobicContact CG1-CG1 4.24Å; V35-I291 HydrophobicContact CG1-CG2 4.37Å; V35-E300 HydrophobicContact CG2-CB 3.83Å; V35-E300 VanDerWaalsContact CG2-CD 3.46Å; V35-E300 HydrophobicContact CG2-CG 3.67Å
36	K	71.5	Confident	64.9	Low	17 Å²	17	75 Å²	75	7%	0.074	39%	0.388	C	S	.	.	H	α-helix	trans	-65.5	-38.5	178.5	-66.1	174.6	-172.4	-178.1	0	111.5	A32 E33 G39 R40 R290 E307	A32-K36 HydrophobicContact CB-CD 4.41Å; A32-K36 VanDerWaalsContact O-CB 3.29Å; A32-K36 WeakPolarHBondContact O-CB 3.08Å; A32-K36 WeakPolarHBondContact O-CG 3.19Å; A32-K36 PolarHBondContact O-N 2.85Å; E33-K36 PolarHBondContact O-N 3.45Å; K36-G39 PolarHBondContact O-N 3.42Å; K36-R40 PolarHBondContact O-N 3.45Å; K36-R290 VanDerWaalsContact CG-NH1 3.32Å; K36-E307 IonicContact NZ-OE1 3.36Å; K36-E307 PolarHBondContact NZ-OE1 3.15Å; K36-E307 IonicContact NZ-OE2 3.25Å
37	S	74.8	Confident	64.6	Low	38 Å²	38	78.1 Å²	78.1	27%	0.266	40%	0.404	S	S	.	.	H	α-helix	trans	-65	-39	177.3	68.5	0	0	0	0	112.7	E33 R34 G39 R40 E41	E33-S37 WeakPolarHBondContact O-CB 3.4Å; E33-S37 PolarHBondContact O-N 3Å; E33-S37 PolarHBondContact O-OG 2.91Å; E33-S37 VanDerWaalsContact O-OG 3.09Å; R34-S37 PolarHBondContact O-N 3.4Å; R34-S37 PolarHBondContact O-OG 2.86Å; S37-G39 VanDerWaalsContact C-N 3.29Å; S37-G39 PolarHBondContact O-N 3.14Å; S37-R40 WeakPolarHBondContact O-CA 3.47Å; S37-R40 VanDerWaalsContact O-CB 3.31Å; S37-R40 WeakPolarHBondContact O-CB 3.08Å; S37-R40 PolarHBondContact O-N 3.42Å; S37-E41 PolarHBondContact O-N 2.88Å
38	R	76.6	Confident	64.6	Low	60 Å²	60	74.2 Å²	74.2	23%	0.226	40%	0.395	C	S	.	.	H	α-helix	trans	-62.4	-35.6	174.9	-67.4	-178.7	-162.8	137.1	4.6	112.9	R34 V35 R40 E41 R42 M296 E300	R34-R38 WeakPolarHBondContact O-CG 3.35Å; R34-R38 PolarHBondContact O-N 3.22Å; V35-R38 PolarHBondContact O-N 3.12Å; R38-R40 VanDerWaalsContact C-N 3.28Å; R38-R40 PolarHBondContact O-N 3Å; R38-E41 PolarHBondContact O-N 3.19Å; R38-R42 PolarHBondContact O-N 3.05Å; R38-R42 VanDerWaalsContact O-N 3.11Å; R38-M296 PolarHBondContact NH1-SD 3.15Å; R38-E300 IonicContact CZ-OE1 2.76Å; R38-E300 VanDerWaalsContact CZ-OE1 3.25Å; R38-E300 IonicContact CZ-OE2 3.19Å; R38-E300 IonicContact NH1-OE1 2.72Å; R38-E300 PolarHBondContact NH1-OE1 2.92Å; R38-E300 IonicContact NH1-OE2 2.73Å; R38-E300 PolarHBondContact NH1-OE2 3.46Å; R38-E300 IonicContact NH2-OE1 3.11Å; R38-E300 PolarHBondContact NH2-OE1 3.28Å
39	G	69.2	Low	65.1	Low	6 Å²	6	75.4 Å²	75.4	6%	0.062	39%	0.393	C	S	.	.	H	α-helix	trans	-59.5	-41.7	171.8	0	0	0	0	0	111.9	V35 K36 S37 R42 Q44	V35-G39 PolarHBondContact O-N 3.36Å; K36-G39 PolarHBondContact O-N 3.42Å; S37-G39 VanDerWaalsContact C-N 3.29Å; S37-G39 PolarHBondContact O-N 3.14Å; G39-R42 PolarHBondContact O-N 3.25Å; G39-Q44 PolarHBondContact O-N 2.9Å
40	R	66.5	Low	65.8	Low	117 Å²	117	68.6 Å²	68.6	44%	0.442	36%	0.364	S	S	.	.	H	α-helix	trans	-65.2	-42.7	175.8	-59.9	174.2	-176.9	150.5	3.5	112.1	E33 K36 S37 R38 R42 G43 Q44	E33-R40 IonicContact OE2-NH1 3.97Å; E33-R40 IonicContact OE2-NH2 3.49Å; K36-R40 PolarHBondContact O-N 3.45Å; S37-R40 WeakPolarHBondContact O-CA 3.47Å; S37-R40 VanDerWaalsContact O-CB 3.31Å; S37-R40 WeakPolarHBondContact O-CB 3.08Å; S37-R40 PolarHBondContact O-N 3.42Å; R38-R40 VanDerWaalsContact C-N 3.28Å; R38-R40 PolarHBondContact O-N 3Å; R40-R42 VanDerWaalsContact C-N 3.3Å; R40-R42 PolarHBondContact O-N 3.38Å; R40-G43 PolarHBondContact O-N 2.68Å; R40-Q44 WeakPolarHBondContact CA-O 3.34Å
41	E	64.1	Low	66.5	Low	159 Å²	159	73.5 Å²	73.5	74%	0.743	38%	0.383	S	S	*	.	H	α-helix	trans	-63.7	-32.4	178.8	-71.1	176.3	175.7	0	0	113.1	S37 R38 G43	S37-E41 PolarHBondContact O-N 2.88Å; R38-E41 PolarHBondContact O-N 3.19Å; E41-G43 PolarHBondContact O-N 3.26Å; E41-G43 VanDerWaalsContact O-N 3.11Å
42	R	64.9	Low	67.2	Low	179 Å²	179	73.7 Å²	73.7	68%	0.675	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	15.4	176.2	-71.7	-172.8	174	-163.8	-0.8	114.2	R38 G39 R40 Q44	R38-R42 PolarHBondContact O-N 3.05Å; R38-R42 VanDerWaalsContact O-N 3.11Å; G39-R42 PolarHBondContact O-N 3.25Å; R40-R42 VanDerWaalsContact C-N 3.3Å; R40-R42 PolarHBondContact O-N 3.38Å; R42-Q44 VanDerWaalsContact C-N 3.3Å; R42-Q44 PolarHBondContact O-N 3.45Å
43	G	56.8	Low	68.4	Low	70 Å²	70	73.9 Å²	73.9	72%	0.722	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	8.8	174.4	0	0	0	0	0	114.6	R40 E41	R40-G43 PolarHBondContact O-N 2.68Å; E41-G43 PolarHBondContact O-N 3.26Å; E41-G43 VanDerWaalsContact O-N 3.11Å
44	Q	57.8	Low	69.4	Low	89 Å²	89	71 Å²	71	42%	0.416	37%	0.373	S	S	.	.			trans	-87.2	119.9	168.6	-70.1	-169.4	13.8	0	0	108.6	G39 R40 R42 A48 Y294	G39-Q44 PolarHBondContact O-N 2.9Å; R40-Q44 WeakPolarHBondContact CA-O 3.34Å; R42-Q44 VanDerWaalsContact C-N 3.3Å; R42-Q44 PolarHBondContact O-N 3.45Å; Q44-A48 HydrophobicContact CB-CB 3.7Å; Q44-A48 HydrophobicContact CG-CB 4.36Å; Q44-Y294 PolarHBondContact NE2-OH 3.39Å; Q44-Y294 PolarHBondContact OE1-OH 3.38Å
45	G	51.9	Low	70.3	Confident	46 Å²	46	65.2 Å²	65.2	47%	0.474	35%	0.352	S	S	.	.			trans	-53.7	158.9	178.2	0	0	0	0	0	112.1	N47 A48	G45-N47 PolarHBondContact O-N 3.26Å; G45-A48 VanDerWaalsContact O-CB 3.27Å; G45-A48 WeakPolarHBondContact O-CB 3.32Å; G45-A48 PolarHBondContact O-N 3.19Å
46	P	50.6	Low	71.1	Confident	88 Å²	88	65.2 Å²	65.2	57%	0.571	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.8	-177.5	22	-33.1	0	0	0	114.1
47	N	51.5	Low	72.3	Confident	148 Å²	148	64.5 Å²	64.5	79%	0.791	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	13.2	178.3	-67.1	-6.9	0	0	0	113.5	G45 I49	G45-N47 PolarHBondContact O-N 3.26Å; N47-I49 PolarHBondContact O-N 2.94Å
48	A	60.6	Low	73.3	Confident	41 Å²	41	62.7 Å²	62.7	34%	0.339	34%	0.336	S	S	.	.			trans	-66.1	108.7	175.6	0	0	0	0	0	109.3	Q44 G45	Q44-A48 HydrophobicContact CB-CB 3.7Å; Q44-A48 HydrophobicContact CG-CB 4.36Å; G45-A48 VanDerWaalsContact O-CB 3.27Å; G45-A48 WeakPolarHBondContact O-CB 3.32Å; G45-A48 PolarHBondContact O-N 3.19Å
49	I	66	Low	74.2	Confident	141 Å²	141	60.1 Å²	60.1	72%	0.723	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-71.2	123.6	179.2	-58	169.6	0	0	0	106.9	N47	N47-I49 PolarHBondContact O-N 2.94Å
50	P	73.8	Confident	75.4	Confident	25 Å²	25	61 Å²	61	16%	0.162	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-58.5	145.7	175.7	25.2	-33.2	0	0	0	109.3	R289 R290	P50-R289 HydrophobicContact CB-CB 4.34Å; P50-R289 HydrophobicContact CG-CB 4.15Å; P50-R290 HydrophobicContact CG-CB 4.34Å
51	K	83	Confident	76.4	Confident	115 Å²	115	57.4 Å²	57.4	50%	0.5	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-52.5	145.4	178.9	-76.2	-176.3	-176	176.1	0	110.8	E217	K51-E217 HydrophobicContact CD-CG 3.95Å; K51-E217 WeakPolarHBondContact CD-OE1 3.43Å; K51-E217 IonicContact NZ-OE1 2.98Å; K51-E217 PolarHBondContact NZ-OE1 3.14Å
52	P	85.5	Confident	77.1	Confident	25 Å²	25	55.5 Å²	55.5	16%	0.162	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-57.8	144.7	173.1	19.6	-25.5	0	0	0	111	Y212 A216 E217	P52-Y212 HydrophobicContact CB-CD1 3.58Å; P52-Y212 HydrophobicContact CB-CD2 4.29Å; P52-Y212 HydrophobicContact CB-CE1 3.09Å; P52-Y212 HydrophobicContact CB-CE2 3.88Å; P52-Y212 HydrophobicContact CB-CG 4.17Å; P52-Y212 HydrophobicContact CG-CD1 4.32Å; P52-Y212 HydrophobicContact CG-CE1 4.25Å; P52-Y212 VanDerWaalsContact CG-O 3.31Å; P52-Y212 WeakPolarHBondContact CG-O 3.24Å; P52-A216 HydrophobicContact CB-CB 4.16Å; P52-A216 HydrophobicContact CG-CB 4Å; P52-A216 VanDerWaalsContact O-CA 3.27Å; P52-A216 WeakPolarHBondContact O-CA 3.34Å; P52-E217 PolarHBondContact O-N 2.81Å
53	I	90.1	Very high	77.1	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.3	173.4	-64.2	-67.3	0	0	0	108.4	E217 Y257 M283 R289	I53-E217 CarbonylContact C-O 3.59Å; I53-E217 VanDerWaalsContact CA-O 3.27Å; I53-E217 WeakPolarHBondContact CA-O 3.47Å; I53-E217 HydrophobicContact CD1-CB 3.7Å; I53-Y257 HydrophobicContact CD1-CD2 3.87Å; I53-Y257 HydrophobicContact CD1-CE2 3.73Å; I53-Y257 HydrophobicContact CG1-CD2 4.38Å; I53-Y257 HydrophobicContact CG1-CE2 4.18Å; I53-M283 HydrophobicContact CG2-CB 4.37Å; I53-R289 HydrophobicContact CG1-CG 4.24Å
54	F	90.5	Very high	77.2	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.7	160.7	175.3	-123.7	0	0	0	108.3	E56 R74 I76 L167 L213 E217 T218 G219 I251	F54-E56 HydrophobicContact CD1-CG 3.8Å; F54-E56 HydrophobicContact CE1-CG 3.18Å; F54-E56 VanDerWaalsContact CE1-OE1 3.24Å; F54-E56 WeakPolarHBondContact CE1-OE1 3.47Å; F54-E56 HydrophobicContact CE2-CG 4.35Å; F54-E56 HydrophobicContact CZ-CG 3.52Å; F54-R74 HydrophobicContact CE2-CB 3.99Å; F54-R74 HydrophobicContact CE2-CG 4.27Å; F54-R74 HydrophobicContact CZ-CB 4.27Å; F54-I76 HydrophobicContact CD2-CD1 3.87Å; F54-I76 HydrophobicContact CD2-CG1 3.41Å; F54-I76 VanDerWaalsContact CD2-CG1 3.41Å; F54-I76 HydrophobicContact CE2-CD1 3.9Å; F54-I76 HydrophobicContact CE2-CG1 3.84Å; F54-L167 HydrophobicContact CE2-CD1 4.34Å; F54-L167 HydrophobicContact CZ-CD1 4.32Å; F54-L213 HydrophobicContact CB-CD2 3.89Å; F54-L213 HydrophobicContact CD2-CD2 4.48Å; F54-L213 HydrophobicContact CG-CD2 4.25Å; F54-E217 PolarHBondContact N-O 3.21Å; F54-T218 HydrophobicContact CD1-CG2 4.25Å; F54-T218 CarbonylContact O-C 3.53Å; F54-T218 VanDerWaalsContact O-CA 3.27Å; F54-T218 WeakPolarHBondContact O-CA 3.47Å; F54-T218 WeakPolarHBondContact O-CG2 3.27Å; F54-G219 PolarHBondContact O-N 3.37Å; F54-I251 HydrophobicContact CB-CD1 3.87Å; F54-I251 HydrophobicContact CD1-CD1 3.05Å; F54-I251 HydrophobicContact CD1-CG1 3.41Å; F54-I251 VanDerWaalsContact CD1-CG1 3.41Å; F54-I251 HydrophobicContact CD2-CD1 4.4Å; F54-I251 HydrophobicContact CE1-CB 4.37Å; F54-I251 HydrophobicContact CE1-CD1 3.48Å; F54-I251 VanDerWaalsContact CE1-CD1 3.48Å; F54-I251 HydrophobicContact CE1-CG1 3.51Å; F54-I251 HydrophobicContact CE1-CG2 4.04Å; F54-I251 HydrophobicContact CG-CD1 3.53Å; F54-I251 HydrophobicContact CG-CG1 4.36Å; F54-I251 HydrophobicContact CZ-CD1 4.33Å; F54-I251 HydrophobicContact CZ-CG2 4.45Å
55	C	94.4	Very high	77.2	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.007	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.6	-180	-157.9	0	0	0	0	110.4	R74 W75 G219 I221 M283	C55-R74 CarbonylContact O-C 3.59Å; C55-R74 WeakPolarHBondContact O-CA 3.22Å; C55-R74 WeakPolarHBondContact O-CB 3.41Å; C55-W75 HydrophobicContact CB-CB 4.1Å; C55-W75 HydrophobicContact CB-CE3 4.23Å; C55-W75 PolarHBondContact N-O 3.33Å; C55-W75 PolarHBondContact O-N 2.91Å; C55-G219 CarbonylContact C-O 3.52Å; C55-G219 VanDerWaalsContact CA-O 3.24Å; C55-G219 WeakPolarHBondContact CA-O 3.44Å; C55-I221 WeakPolarHBondContact SG-CD1 3.38Å; C55-M283 HydrophobicContact CB-CB 4.13Å
56	E	93.8	Very high	78	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.1	174.8	-63.8	170.7	125.8	0	0	109.4	F54 L58 H158 G219 I220 I221 S249 E250	F54-E56 HydrophobicContact CD1-CG 3.8Å; F54-E56 HydrophobicContact CE1-CG 3.18Å; F54-E56 VanDerWaalsContact CE1-OE1 3.24Å; F54-E56 WeakPolarHBondContact CE1-OE1 3.47Å; F54-E56 HydrophobicContact CE2-CG 4.35Å; F54-E56 HydrophobicContact CZ-CG 3.52Å; E56-L58 HydrophobicContact CB-CD1 4.16Å; E56-H158 IonicContact OE1-CE1 3.63Å; E56-H158 IonicContact OE1-ND1 3.93Å; E56-G219 PolarHBondContact N-O 3.34Å; E56-I220 HydrophobicContact CB-CD1 4.13Å; E56-I220 CarbonylContact O-C 3.57Å; E56-I220 WeakPolarHBondContact OE2-CD1 3.3Å; E56-I221 PolarHBondContact O-N 3.49Å; E56-S249 VanDerWaalsContact OE2-CA 3.25Å; E56-S249 WeakPolarHBondContact OE2-CA 3.24Å; E56-S249 VanDerWaalsContact OE2-CB 3.23Å; E56-S249 WeakPolarHBondContact OE2-CB 3.23Å; E56-S249 PolarHBondContact OE2-OG 3.06Å; E56-E250 WeakPolarHBondContact OE1-CB 3.23Å; E56-E250 PolarHBondContact OE1-N 3.44Å
57	M	96.8	Very high	79.4	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.6	172.2	-179.5	172.5	81.9	0	0	110.3	V72 A73 W75 I221 I223 F273 G276 R277	M57-V72 HydrophobicContact CB-CG2 4.37Å; M57-V72 HydrophobicContact CE-CG2 3.59Å; M57-V72 HydrophobicContact CG-CG2 3.95Å; M57-V72 VanDerWaalsContact O-CG2 3.25Å; M57-V72 WeakPolarHBondContact O-CG2 3.46Å; M57-V72 PolarHBondContact O-N 3.45Å; M57-A73 HydrophobicContact CE-CB 3.97Å; M57-A73 PolarHBondContact N-O 3.48Å; M57-A73 PolarHBondContact O-N 2.91Å; M57-W75 HydrophobicContact CB-CH2 3.99Å; M57-W75 HydrophobicContact CB-CZ3 3.59Å; M57-W75 HydrophobicContact CE-CH2 4.06Å; M57-W75 HydrophobicContact SD-CH2 4.07Å; M57-I221 CarbonylContact C-O 3.57Å; M57-I221 WeakPolarHBondContact CA-O 3.33Å; M57-I221 HydrophobicContact CB-CB 4.01Å; M57-I221 HydrophobicContact CB-CG2 4.26Å; M57-I221 HydrophobicContact CG-CB 4.09Å; M57-I221 HydrophobicContact CG-CG2 3.79Å; M57-I221 HydrophobicContact SD-CG2 4.18Å; M57-I223 HydrophobicContact CE-CD1 4.12Å; M57-I223 HydrophobicContact CG-CD1 4.13Å; M57-I223 HydrophobicContact CG-CG1 4.24Å; M57-I223 HydrophobicContact SD-CD1 3.73Å; M57-I223 HydrophobicContact SD-CG1 4.42Å; M57-F273 HydrophobicContact CE-CD1 4.01Å; M57-G276 VanDerWaalsContact SD-C 3.6Å; M57-R277 HydrophobicContact CE-CG 4.06Å
58	L	95.9	Very high	81.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.9	175.6	-61	82.4	0	0	0	109.6	E56 W69 K70 E71 K156 I220 I221 L222 I223	E56-L58 HydrophobicContact CB-CD1 4.16Å; L58-W69 HydrophobicContact CB-CB 4.23Å; L58-W69 HydrophobicContact CB-CE3 4.18Å; L58-W69 HydrophobicContact CD2-CB 3.98Å; L58-K70 CarbonylContact C-O 3.53Å; L58-K70 VanDerWaalsContact CA-O 3.25Å; L58-K70 WeakPolarHBondContact CA-O 3.48Å; L58-E71 HydrophobicContact CG-CB 4.38Å; L58-E71 HydrophobicContact CG-CG 4.45Å; L58-K156 HydrophobicContact CD2-CB 3.61Å; L58-K156 HydrophobicContact CD2-CG 3.47Å; L58-K156 VanDerWaalsContact CD2-CG 3.47Å; L58-I220 HydrophobicContact CD1-CG2 4.21Å; L58-I221 PolarHBondContact N-O 2.96Å; L58-L222 HydrophobicContact CB-CD2 3.9Å; L58-L222 HydrophobicContact CD1-CD2 4.21Å; L58-L222 HydrophobicContact CG-CD2 4.46Å; L58-I223 PolarHBondContact O-N 3.46Å
59	A	95.2	Very high	82.8	Confident	5 Å²	5	53.7 Å²	53.7	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.9	172.8	0	0	0	0	0	110	V61 K70 V72 I223 F273	A59-V61 PolarHBondContact O-N 3.43Å; A59-K70 PolarHBondContact N-O 3.46Å; A59-K70 PolarHBondContact O-N 3.26Å; A59-V72 HydrophobicContact CB-CG1 3.86Å; A59-V72 HydrophobicContact CB-CG2 4.05Å; A59-I223 VanDerWaalsContact CA-O 3.31Å; A59-I223 WeakPolarHBondContact CA-O 3.15Å; A59-I223 HydrophobicContact CB-CD1 4.4Å; A59-I223 HydrophobicContact CB-CG1 4.02Å; A59-F273 HydrophobicContact CB-CE1 4.01Å; A59-F273 HydrophobicContact CB-CZ 3.76Å
60	L	94.1	Very high	83.9	Confident	25 Å²	25	49.4 Å²	49.4	13%	0.131	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	122.5	170.8	-172	71.9	0	0	0	109.2	Y67 W69 T151 I223 A224 I226	L60-Y67 HydrophobicContact CD1-CD1 4.05Å; L60-Y67 HydrophobicContact CD1-CE1 4Å; L60-Y67 HydrophobicContact CD2-CD1 4.42Å; L60-Y67 HydrophobicContact CD2-CE1 3.59Å; L60-Y67 HydrophobicContact CG-CD1 4.39Å; L60-Y67 HydrophobicContact CG-CE1 4.02Å; L60-W69 HydrophobicContact CB-CD2 4.3Å; L60-W69 HydrophobicContact CB-CE3 4.04Å; L60-W69 HydrophobicContact CB-CH2 4.12Å; L60-W69 HydrophobicContact CB-CZ2 4.36Å; L60-W69 HydrophobicContact CB-CZ3 3.96Å; L60-W69 HydrophobicContact CD1-CD2 4.09Å; L60-W69 HydrophobicContact CD1-CG 4.31Å; L60-W69 HydrophobicContact CD1-CZ2 4.29Å; L60-T151 HydrophobicContact CD1-CG2 4.11Å; L60-T151 HydrophobicContact CD2-CG2 3.49Å; L60-T151 VanDerWaalsContact CD2-CG2 3.49Å; L60-T151 HydrophobicContact CG-CG2 4.46Å; L60-I223 PolarHBondContact N-O 3Å; L60-I223 VanDerWaalsContact N-O 3.09Å; L60-A224 HydrophobicContact CB-CB 3.49Å; L60-A224 VanDerWaalsContact CB-CB 3.49Å; L60-A224 HydrophobicContact CD2-CB 3.78Å; L60-A224 HydrophobicContact CG-CB 4.34Å; L60-I226 HydrophobicContact CD2-CD1 3.65Å
61	V	86.1	Confident	84.7	Confident	42 Å²	42	48.3 Å²	48.3	26%	0.255	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.6	-179.6	-179.9	0	0	0	0	109.1	A59 D63 Y67 C68 K70	A59-V61 PolarHBondContact O-N 3.43Å; V61-D63 HydrophobicContact CG1-CB 3.84Å; V61-Y67 WeakPolarHBondContact O-CA 3.35Å; V61-C68 PolarHBondContact N-O 3.36Å; V61-C68 PolarHBondContact O-N 3.32Å; V61-K70 HydrophobicContact CB-CD 4.11Å; V61-K70 HydrophobicContact CB-CG 4.4Å; V61-K70 HydrophobicContact CG1-CD 4.42Å; V61-K70 HydrophobicContact CG2-CB 4.1Å; V61-K70 HydrophobicContact CG2-CD 4.01Å; V61-K70 HydrophobicContact CG2-CG 4.21Å
62	D	79.2	Confident	85.1	Confident	118 Å²	118	43.6 Å²	43.6	63%	0.631	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	91	169.5	-169.5	5	0	0	0	108.7	Y67	D62-Y67 HydrophobicContact CB-CD2 3.55Å; D62-Y67 HydrophobicContact CB-CE2 3.77Å
63	D	65.5	Low	85.5	Confident	73 Å²	73	42.5 Å²	42.5	39%	0.39	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	108.8	-178.3	180	16	0	0	0	109.8	V61 E65 R66 K70	V61-D63 HydrophobicContact CG1-CB 3.84Å; D63-E65 PolarHBondContact O-N 3.19Å; D63-R66 PolarHBondContact N-O 3Å; D63-R66 WeakPolarHBondContact O-CB 3.43Å; D63-R66 PolarHBondContact O-N 2.88Å; D63-K70 IonicContact OD2-NZ 3.91Å
64	N	59.8	Low	85.6	Confident	144 Å²	144	43 Å²	43	77%	0.77	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.5	61.4	170.8	-66.2	-55.8	0	0	0	113.6	R66	N64-R66 PolarHBondContact O-N 3.33Å
65	E	57.8	Low	85.6	Confident	197 Å²	197	43.1 Å²	43.1	92%	0.921	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	-5.2	-178.2	-48.6	-177.5	163.9	0	0	115.7	D63 Y67	D63-E65 PolarHBondContact O-N 3.19Å; E65-Y67 PolarHBondContact O-N 2.83Å
66	R	67	Low	84.9	Confident	162 Å²	162	43.4 Å²	43.4	61%	0.611	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	93.5	173.5	-61	-171.1	-176.9	-167.1	3.6	110.3	D63 N64	D63-R66 PolarHBondContact N-O 3Å; D63-R66 WeakPolarHBondContact O-CB 3.43Å; D63-R66 PolarHBondContact O-N 2.88Å; N64-R66 PolarHBondContact O-N 3.33Å
67	Y	80.6	Confident	84.1	Confident	40 Å²	40	47.6 Å²	47.6	16%	0.157	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	88.1	175.1	-164.7	-77.9	0	0	0	108.7	L60 V61 D62 E65 T151 R154	L60-Y67 HydrophobicContact CD1-CD1 4.05Å; L60-Y67 HydrophobicContact CD1-CE1 4Å; L60-Y67 HydrophobicContact CD2-CD1 4.42Å; L60-Y67 HydrophobicContact CD2-CE1 3.59Å; L60-Y67 HydrophobicContact CG-CD1 4.39Å; L60-Y67 HydrophobicContact CG-CE1 4.02Å; V61-Y67 WeakPolarHBondContact O-CA 3.35Å; D62-Y67 HydrophobicContact CB-CD2 3.55Å; D62-Y67 HydrophobicContact CB-CE2 3.77Å; E65-Y67 PolarHBondContact O-N 2.83Å; Y67-T151 HydrophobicContact CE1-CG2 4.46Å; Y67-R154 WeakPolarHBondContact O-CD 3.4Å; Y67-R154 PolarHBondContact O-NH1 3.4Å
68	C	89.6	Confident	83.6	Confident	8 Å²	8	49.6 Å²	49.6	5%	0.054	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	165.8	-172.2	61.3	0	0	0	0	111.5	V61 E157	V61-C68 PolarHBondContact N-O 3.36Å; V61-C68 PolarHBondContact O-N 3.32Å; C68-E157 PolarHBondContact SG-OE1 2.69Å; C68-E157 VanDerWaalsContact SG-OE1 3.36Å
69	W	93.6	Very high	83.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.4	174	-67.4	94.4	0	0	0	108.9	L58 L60 T151 L152 N155 K156 E157 L222 I223 A224 L262	L58-W69 HydrophobicContact CB-CB 4.23Å; L58-W69 HydrophobicContact CB-CE3 4.18Å; L58-W69 HydrophobicContact CD2-CB 3.98Å; L60-W69 HydrophobicContact CB-CD2 4.3Å; L60-W69 HydrophobicContact CB-CE3 4.04Å; L60-W69 HydrophobicContact CB-CH2 4.12Å; L60-W69 HydrophobicContact CB-CZ2 4.36Å; L60-W69 HydrophobicContact CB-CZ3 3.96Å; L60-W69 HydrophobicContact CD1-CD2 4.09Å; L60-W69 HydrophobicContact CD1-CG 4.31Å; L60-W69 HydrophobicContact CD1-CZ2 4.29Å; W69-T151 HydrophobicContact CZ2-CG2 4.17Å; W69-T151 PolarHBondContact NE1-O 2.96Å; W69-L152 HydrophobicContact CZ2-CD2 4.32Å; W69-N155 PolarHBondContact N-O 3.19Å; W69-K156 HydrophobicContact CB-CB 4.48Å; W69-K156 HydrophobicContact CB-CG 3.96Å; W69-K156 HydrophobicContact CG-CG 4.46Å; W69-K156 CarbonylContact O-C 3.6Å; W69-K156 WeakPolarHBondContact O-CA 3.47Å; W69-E157 PolarHBondContact O-N 3.18Å; W69-L222 HydrophobicContact CD2-CD2 4.26Å; W69-L222 HydrophobicContact CE3-CB 4.32Å; W69-L222 HydrophobicContact CE3-CD2 3.96Å; W69-L222 HydrophobicContact CH2-CB 3.84Å; W69-L222 HydrophobicContact CZ3-CB 3.72Å; W69-L222 HydrophobicContact CZ3-CD2 4.23Å; W69-L222 HydrophobicContact CZ3-CG 4.48Å; W69-I223 VanDerWaalsContact CZ3-O 3.23Å; W69-I223 WeakPolarHBondContact CZ3-O 3.45Å; W69-A224 HydrophobicContact CH2-CB 3.73Å; W69-A224 HydrophobicContact CZ3-CB 4.15Å; W69-L262 HydrophobicContact CH2-CD2 4.22Å
70	K	90.5	Very high	82.8	Confident	50 Å²	50	49.8 Å²	49.8	22%	0.217	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.8	175.7	-67.3	-173.2	179.2	172.3	0	109.6	L58 A59 V61 D63 E157	L58-K70 CarbonylContact C-O 3.53Å; L58-K70 VanDerWaalsContact CA-O 3.25Å; L58-K70 WeakPolarHBondContact CA-O 3.48Å; A59-K70 PolarHBondContact N-O 3.46Å; A59-K70 PolarHBondContact O-N 3.26Å; V61-K70 HydrophobicContact CB-CD 4.11Å; V61-K70 HydrophobicContact CB-CG 4.4Å; V61-K70 HydrophobicContact CG1-CD 4.42Å; V61-K70 HydrophobicContact CG2-CB 4.1Å; V61-K70 HydrophobicContact CG2-CD 4.01Å; V61-K70 HydrophobicContact CG2-CG 4.21Å; D63-K70 IonicContact OD2-NZ 3.91Å; K70-E157 WeakPolarHBondContact CE-OE2 3.45Å; K70-E157 HydrophobicContact CG-CB 4.33Å
71	E	90.3	Very high	82.4	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	133.8	171.2	-153.4	-173.8	162.9	0	0	110.6	L58 L82 W89 E157 H158	L58-E71 HydrophobicContact CG-CB 4.38Å; L58-E71 HydrophobicContact CG-CG 4.45Å; E71-L82 WeakPolarHBondContact O-CD2 3.4Å; E71-W89 HydrophobicContact CB-CH2 4.29Å; E71-W89 VanDerWaalsContact CD-CH2 3.5Å; E71-W89 VanDerWaalsContact CD-CZ2 3.48Å; E71-W89 HydrophobicContact CG-CH2 3.76Å; E71-W89 HydrophobicContact CG-CZ2 4.22Å; E71-W89 WeakPolarHBondContact OE1-CH2 3.42Å; E71-W89 WeakPolarHBondContact OE1-CZ2 3.27Å; E71-E157 PolarHBondContact N-O 3.47Å; E71-H158 IonicContact OE2-CG 3.35Å; E71-H158 IonicContact OE2-ND1 2.75Å; E71-H158 PolarHBondContact OE2-ND1 3.07Å
72	V	91.6	Very high	82.3	Confident	16 Å²	16	50.1 Å²	50.1	10%	0.097	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	-27.6	-173.9	-72.5	0	0	0	0	113.3	M57 A59 L82 F273	M57-V72 HydrophobicContact CB-CG2 4.37Å; M57-V72 HydrophobicContact CE-CG2 3.59Å; M57-V72 HydrophobicContact CG-CG2 3.95Å; M57-V72 VanDerWaalsContact O-CG2 3.25Å; M57-V72 WeakPolarHBondContact O-CG2 3.46Å; M57-V72 PolarHBondContact O-N 3.45Å; A59-V72 HydrophobicContact CB-CG1 3.86Å; A59-V72 HydrophobicContact CB-CG2 4.05Å; V72-L82 PolarHBondContact O-N 2.89Å; V72-F273 HydrophobicContact CB-CE1 4.34Å; V72-F273 HydrophobicContact CG1-CE1 4.34Å; V72-F273 HydrophobicContact CG2-CE1 4.04Å
73	A	92.8	Very high	81.9	Confident	3 Å²	3	47.6 Å²	47.6	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	158.8	175.3	0	0	0	0	0	110.6	M57 W75 E80 K81	M57-A73 HydrophobicContact CE-CB 3.97Å; M57-A73 PolarHBondContact N-O 3.48Å; M57-A73 PolarHBondContact O-N 2.91Å; A73-W75 HydrophobicContact CB-CH2 3.5Å; A73-W75 HydrophobicContact CB-CZ2 4.12Å; A73-W75 HydrophobicContact CB-CZ3 3.86Å; A73-E80 CarbonylContact C-O 3.59Å; A73-E80 VanDerWaalsContact CA-O 3.24Å; A73-E80 WeakPolarHBondContact CA-O 3.19Å; A73-K81 HydrophobicContact CB-CG 4.42Å
74	R	92	Very high	81.7	Confident	15 Å²	15	50.9 Å²	50.9	6%	0.057	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.9	176	64.8	-169.8	-169.7	-176.9	2	112	F54 C55 E80 W89 L167 E250	F54-R74 HydrophobicContact CE2-CB 3.99Å; F54-R74 HydrophobicContact CE2-CG 4.27Å; F54-R74 HydrophobicContact CZ-CB 4.27Å; C55-R74 CarbonylContact O-C 3.59Å; C55-R74 WeakPolarHBondContact O-CA 3.22Å; C55-R74 WeakPolarHBondContact O-CB 3.41Å; R74-E80 HydrophobicContact CG-CB 4.03Å; R74-E80 IonicContact CZ-OE2 3.13Å; R74-E80 PolarHBondContact N-O 3.33Å; R74-E80 IonicContact NE-OE2 3.61Å; R74-E80 PolarHBondContact NE-OE2 3.36Å; R74-E80 IonicContact NH2-OE2 3.52Å; R74-E80 PolarHBondContact NH2-OE2 2.93Å; R74-E80 PolarHBondContact O-N 2.87Å; R74-W89 HydrophobicContact CG-CE3 4.37Å; R74-W89 HydrophobicContact CG-CH2 4.4Å; R74-W89 HydrophobicContact CG-CZ3 4.22Å; R74-W89 VanDerWaalsContact CZ-CD1 3.43Å; R74-W89 VanDerWaalsContact CZ-NE1 3.34Å; R74-W89 VanDerWaalsContact NH2-CD1 3.28Å; R74-L167 VanDerWaalsContact CZ-CD1 3.44Å; R74-L167 VanDerWaalsContact NH1-CD1 3.25Å; R74-E250 IonicContact NH1-OE2 2.86Å; R74-E250 PolarHBondContact NH1-OE2 3.19Å; R74-E250 VanDerWaalsContact NH1-OE2 3.13Å
75	W	91.7	Very high	81.8	Confident	1 Å²	1	51.4 Å²	51.4	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.1	-178.5	-60.9	-103.2	0	0	0	111.5	C55 M57 A73 Y78 E79 I221 R277 T284	C55-W75 HydrophobicContact CB-CB 4.1Å; C55-W75 HydrophobicContact CB-CE3 4.23Å; C55-W75 PolarHBondContact N-O 3.33Å; C55-W75 PolarHBondContact O-N 2.91Å; M57-W75 HydrophobicContact CB-CH2 3.99Å; M57-W75 HydrophobicContact CB-CZ3 3.59Å; M57-W75 HydrophobicContact CE-CH2 4.06Å; M57-W75 HydrophobicContact SD-CH2 4.07Å; A73-W75 HydrophobicContact CB-CH2 3.5Å; A73-W75 HydrophobicContact CB-CZ2 4.12Å; A73-W75 HydrophobicContact CB-CZ3 3.86Å; W75-Y78 WeakPolarHBondContact CA-O 3.48Å; W75-E79 HydrophobicContact CZ2-CG 3.93Å; W75-I221 HydrophobicContact CZ3-CD1 4.5Å; W75-R277 HydrophobicContact CH2-CG 4.24Å; W75-R277 HydrophobicContact CZ2-CB 4.09Å; W75-R277 HydrophobicContact CZ2-CG 3.99Å; W75-T284 HydrophobicContact CB-CG2 3.52Å; W75-T284 HydrophobicContact CG-CG2 4.18Å
76	I	78.8	Confident	81.7	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.036	21%	0.211	C	C	.	.	S	Bend	trans	-124.9	-63.7	173.3	-65.2	168.9	0	0	0	108.1	F54 Y78 L167 L209 Y212	F54-I76 HydrophobicContact CD2-CD1 3.87Å; F54-I76 HydrophobicContact CD2-CG1 3.41Å; F54-I76 VanDerWaalsContact CD2-CG1 3.41Å; F54-I76 HydrophobicContact CE2-CD1 3.9Å; F54-I76 HydrophobicContact CE2-CG1 3.84Å; I76-Y78 PolarHBondContact N-O 3.35Å; I76-L167 HydrophobicContact CD1-CD1 4.39Å; I76-L209 HydrophobicContact CB-CD2 4.36Å; I76-L209 HydrophobicContact CD1-CD2 3.13Å; I76-L209 HydrophobicContact CG1-CD2 4.26Å; I76-L209 HydrophobicContact CG2-CD2 4.06Å; I76-Y212 HydrophobicContact CG2-CD1 3.28Å; I76-Y212 HydrophobicContact CG2-CE1 3.4Å; I76-Y212 VanDerWaalsContact CG2-CE1 3.4Å; I76-Y212 HydrophobicContact CG2-CG 3.99Å; I76-Y212 PolarHBondContact O-OH 2.95Å
77	K	78	Confident	81.7	Confident	89 Å²	89	40.7 Å²	40.7	39%	0.387	21%	0.206	S	C	.	.	S	Bend	trans	-122.6	-39.6	166.3	-172.9	176.3	-180	179.2	0	110.2	E331	K77-E331 VanDerWaalsContact CE-OE1 3.32Å; K77-E331 WeakPolarHBondContact CE-OE1 3.37Å; K77-E331 IonicContact NZ-OE1 3.91Å; K77-E331 PolarHBondContact NZ-OE1 2.75Å; K77-E331 IonicContact NZ-OE2 2.79Å; K77-E331 PolarHBondContact NZ-OE2 2.78Å
78	Y	84.7	Confident	81.1	Confident	44 Å²	44	44.9 Å²	44.9	17%	0.173	22%	0.222	C	C	.	.	S	Bend	trans	-115.9	167.6	176.8	-58.7	-58.7	0	0	0	110.4	W75 I76 P92 H93 V94 P328	W75-Y78 WeakPolarHBondContact CA-O 3.48Å; I76-Y78 PolarHBondContact N-O 3.35Å; Y78-P92 HydrophobicContact CD2-CB 4.4Å; Y78-H93 WeakPolarHBondContact CB-O 3.36Å; Y78-V94 HydrophobicContact CD1-CG2 4.36Å; Y78-V94 HydrophobicContact CE1-CG2 4.37Å; Y78-P328 HydrophobicContact CD1-CB 4.39Å; Y78-P328 HydrophobicContact CD1-CG 4.05Å; Y78-P328 HydrophobicContact CD2-CB 4.23Å; Y78-P328 HydrophobicContact CD2-CG 3.76Å; Y78-P328 HydrophobicContact CE1-CB 3.88Å; Y78-P328 HydrophobicContact CE1-CG 4.06Å; Y78-P328 HydrophobicContact CE2-CB 3.68Å; Y78-P328 HydrophobicContact CE2-CG 3.73Å; Y78-P328 HydrophobicContact CG-CG 3.92Å; Y78-P328 VanDerWaalsContact CZ-CB 3.5Å
79	E	89.1	Confident	80.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	136.8	175.9	-175.3	173.6	-175.8	0	0	110.4	W75 K81 P92 H93 P95 R277	W75-E79 HydrophobicContact CZ2-CG 3.93Å; E79-K81 VanDerWaalsContact CD-CE 3.43Å; E79-K81 HydrophobicContact CG-CG 4.22Å; E79-K81 WeakPolarHBondContact OE1-CE 3.35Å; E79-K81 IonicContact OE1-NZ 3.96Å; E79-P92 WeakPolarHBondContact O-CA 3.32Å; E79-H93 PolarHBondContact N-O 3.3Å; E79-H93 PolarHBondContact O-CE1 3.26Å; E79-H93 PolarHBondContact O-N 3.02Å; E79-H93 PolarHBondContact O-ND1 3.13Å; E79-H93 VanDerWaalsContact O-ND1 3.14Å; E79-H93 IonicContact OE2-NE2 3.97Å; E79-P95 HydrophobicContact CB-CB 4.08Å; E79-P95 WeakPolarHBondContact OE2-CA 3.38Å; E79-P95 WeakPolarHBondContact OE2-CB 3.29Å; E79-R277 IonicContact OE1-CZ 3.9Å; E79-R277 IonicContact OE1-NE 3Å; E79-R277 PolarHBondContact OE1-NE 3.23Å; E79-R277 IonicContact OE1-NH2 2.84Å; E79-R277 PolarHBondContact OE1-NH2 3.01Å; E79-R277 IonicContact OE2-CZ 3.63Å; E79-R277 IonicContact OE2-NE 3.34Å; E79-R277 IonicContact OE2-NH2 3.63Å; E79-R277 PolarHBondContact OE2-NH2 3.26Å
80	E	87	Confident	79.7	Confident	9 Å²	9	46.2 Å²	46.2	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.2	167	-67.4	175.8	165.8	0	0	108.2	A73 R74 W89 P92 Y205	A73-E80 CarbonylContact C-O 3.59Å; A73-E80 VanDerWaalsContact CA-O 3.24Å; A73-E80 WeakPolarHBondContact CA-O 3.19Å; R74-E80 HydrophobicContact CG-CB 4.03Å; R74-E80 IonicContact CZ-OE2 3.13Å; R74-E80 PolarHBondContact N-O 3.33Å; R74-E80 IonicContact NE-OE2 3.61Å; R74-E80 PolarHBondContact NE-OE2 3.36Å; R74-E80 IonicContact NH2-OE2 3.52Å; R74-E80 PolarHBondContact NH2-OE2 2.93Å; R74-E80 PolarHBondContact O-N 2.87Å; E80-W89 HydrophobicContact CB-CB 4.48Å; E80-W89 HydrophobicContact CB-CE3 4.3Å; E80-P92 HydrophobicContact CG-CB 4.14Å; E80-Y205 WeakPolarHBondContact OE1-CE1 3.3Å; E80-Y205 VanDerWaalsContact OE1-CZ 3.32Å; E80-Y205 PolarHBondContact OE1-OH 3.07Å
81	K	85.8	Confident	78.9	Confident	53 Å²	53	49.3 Å²	49.3	23%	0.23	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.7	-178.9	-67.4	175.1	-175.1	163.2	0	110.5	A73 E79 E83 S90	A73-K81 HydrophobicContact CB-CG 4.42Å; E79-K81 VanDerWaalsContact CD-CE 3.43Å; E79-K81 HydrophobicContact CG-CG 4.22Å; E79-K81 WeakPolarHBondContact OE1-CE 3.35Å; E79-K81 IonicContact OE1-NZ 3.96Å; K81-E83 PolarHBondContact O-N 3.46Å; K81-S90 PolarHBondContact N-OG 3.46Å; K81-S90 PolarHBondContact O-N 3.21Å
82	L	82.2	Confident	78.4	Confident	22 Å²	22	50 Å²	50	12%	0.115	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	118	174.3	-179.5	55.2	0	0	0	110.3	E71 V72 H84 W89 V159	E71-L82 WeakPolarHBondContact O-CD2 3.4Å; V72-L82 PolarHBondContact O-N 2.89Å; L82-H84 PolarHBondContact O-N 2.9Å; L82-W89 HydrophobicContact CB-CE3 4.28Å; L82-W89 HydrophobicContact CB-CH2 4.28Å; L82-W89 HydrophobicContact CB-CZ3 3.83Å; L82-V159 HydrophobicContact CD1-CB 4.49Å; L82-V159 HydrophobicContact CD1-CG1 4.26Å; L82-V159 HydrophobicContact CD1-CG2 3.46Å; L82-V159 VanDerWaalsContact CD1-CG2 3.46Å; L82-V159 HydrophobicContact CD2-CG2 3.64Å; L82-V159 HydrophobicContact CG-CG2 4.14Å
83	E	71	Confident	78	Confident	65 Å²	65	49.4 Å²	49.4	30%	0.304	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	99.7	171.5	-65.7	179	-166.7	0	0	109.8	K81 V85 A86 N87 R88	K81-E83 PolarHBondContact O-N 3.46Å; E83-V85 PolarHBondContact O-N 3.36Å; E83-V85 VanDerWaalsContact O-N 3.11Å; E83-A86 HydrophobicContact CB-CB 4.36Å; E83-A86 PolarHBondContact O-N 3.43Å; E83-N87 PolarHBondContact O-N 2.93Å; E83-R88 HydrophobicContact CB-CG 4.37Å; E83-R88 WeakPolarHBondContact CB-O 3.47Å; E83-R88 PolarHBondContact N-O 3.37Å; E83-R88 IonicContact OE2-CZ 3.36Å; E83-R88 IonicContact OE2-NE 3.98Å; E83-R88 PolarHBondContact OE2-NE 2.94Å; E83-R88 IonicContact OE2-NH2 2.81Å; E83-R88 PolarHBondContact OE2-NH2 3.28Å
84	H	63.1	Low	77.7	Confident	142 Å²	142	51.1 Å²	51.1	66%	0.657	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-34.5	-175.3	-67.9	-61.5	0	0	0	114.9	L82	L82-H84 PolarHBondContact O-N 2.9Å
85	V	59.8	Low	77.5	Confident	154 Å²	154	51.6 Å²	51.6	93%	0.933	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-33.9	-178.7	-178.2	0	0	0	0	111.6	E83	E83-V85 PolarHBondContact O-N 3.36Å; E83-V85 VanDerWaalsContact O-N 3.11Å
86	A	56.4	Low	77.4	Confident	40 Å²	40	53 Å²	53	33%	0.331	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-8	-173.2	0	0	0	0	0	113.5	E83 R88	E83-A86 HydrophobicContact CB-CB 4.36Å; E83-A86 PolarHBondContact O-N 3.43Å; A86-R88 HydrophobicContact CB-CB 4.46Å; A86-R88 HydrophobicContact CB-CG 3.65Å; A86-R88 VanDerWaalsContact CB-CZ 3.48Å; A86-R88 PolarHBondContact O-N 2.89Å; A86-R88 VanDerWaalsContact O-N 3.15Å
87	N	67.1	Low	78	Confident	94 Å²	94	54.4 Å²	54.4	50%	0.503	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	42.7	-172.7	-90.8	-15.7	0	0	0	111.9	E83 V159	E83-N87 PolarHBondContact O-N 2.93Å; N87-V159 VanDerWaalsContact O-CG1 3.26Å; N87-V159 WeakPolarHBondContact O-CG1 3.27Å
88	R	67.9	Low	78.6	Confident	128 Å²	128	52.3 Å²	52.3	48%	0.483	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.5	178.9	75.1	-175.4	175.8	-133.7	-4.8	109.5	E83 A86	E83-R88 HydrophobicContact CB-CG 4.37Å; E83-R88 WeakPolarHBondContact CB-O 3.47Å; E83-R88 PolarHBondContact N-O 3.37Å; E83-R88 IonicContact OE2-CZ 3.36Å; E83-R88 IonicContact OE2-NE 3.98Å; E83-R88 PolarHBondContact OE2-NE 2.94Å; E83-R88 IonicContact OE2-NH2 2.81Å; E83-R88 PolarHBondContact OE2-NH2 3.28Å; A86-R88 HydrophobicContact CB-CB 4.46Å; A86-R88 HydrophobicContact CB-CG 3.65Å; A86-R88 VanDerWaalsContact CB-CZ 3.48Å; A86-R88 PolarHBondContact O-N 2.89Å; A86-R88 VanDerWaalsContact O-N 3.15Å
89	W	76.6	Confident	78.8	Confident	30 Å²	30	52.8 Å²	52.8	11%	0.114	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	141.5	171.7	-62.9	107.6	0	0	0	110.5	E71 R74 E80 L82 V159	E71-W89 HydrophobicContact CB-CH2 4.29Å; E71-W89 VanDerWaalsContact CD-CH2 3.5Å; E71-W89 VanDerWaalsContact CD-CZ2 3.48Å; E71-W89 HydrophobicContact CG-CH2 3.76Å; E71-W89 HydrophobicContact CG-CZ2 4.22Å; E71-W89 WeakPolarHBondContact OE1-CH2 3.42Å; E71-W89 WeakPolarHBondContact OE1-CZ2 3.27Å; R74-W89 HydrophobicContact CG-CE3 4.37Å; R74-W89 HydrophobicContact CG-CH2 4.4Å; R74-W89 HydrophobicContact CG-CZ3 4.22Å; R74-W89 VanDerWaalsContact CZ-CD1 3.43Å; R74-W89 VanDerWaalsContact CZ-NE1 3.34Å; R74-W89 VanDerWaalsContact NH2-CD1 3.28Å; E80-W89 HydrophobicContact CB-CB 4.48Å; E80-W89 HydrophobicContact CB-CE3 4.3Å; L82-W89 HydrophobicContact CB-CE3 4.28Å; L82-W89 HydrophobicContact CB-CH2 4.28Å; L82-W89 HydrophobicContact CB-CZ3 3.83Å; W89-V159 HydrophobicContact CH2-CG2 4.46Å; W89-V159 HydrophobicContact CZ2-CB 4.22Å; W89-V159 HydrophobicContact CZ2-CG2 3.87Å
90	S	77.1	Confident	78.7	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.042	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-61.7	165.2	168.2	72.7	0	0	0	0	110.3	K81	K81-S90 PolarHBondContact N-OG 3.46Å; K81-S90 PolarHBondContact O-N 3.21Å
91	K	74.7	Confident	78.9	Confident	116 Å²	116	55.1 Å²	55.1	50%	0.504	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-60.6	146.7	166.3	-69.6	-172.9	174.4	-168.4	0	109.5	H93 D198	K91-H93 PolarHBondContact O-N 3.46Å; K91-H93 PolarHBondContact O-ND1 2.92Å; K91-D198 IonicContact NZ-OD1 3.17Å; K91-D198 PolarHBondContact NZ-OD1 3.07Å; K91-D198 IonicContact NZ-OD2 2.7Å; K91-D198 PolarHBondContact NZ-OD2 3.15Å
92	P	79.6	Confident	79.2	Confident	15 Å²	15	52.8 Å²	52.8	10%	0.097	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63.8	126.9	177.3	25	-33.4	0	0	0	110.3	Y78 E79 E80 F201 Y205 P328	Y78-P92 HydrophobicContact CD2-CB 4.4Å; E79-P92 WeakPolarHBondContact O-CA 3.32Å; E80-P92 HydrophobicContact CG-CB 4.14Å; P92-F201 HydrophobicContact CG-CE1 4.35Å; P92-Y205 HydrophobicContact CB-CE2 4.33Å; P92-Y205 HydrophobicContact CG-CE1 4.16Å; P92-Y205 HydrophobicContact CG-CE2 4.11Å; P92-P328 WeakPolarHBondContact O-CD 2.92Å
93	H	82	Confident	79.6	Confident	5 Å²	5	54.4 Å²	54.4	2%	0.023	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-135.6	159.9	-177.6	57.7	-85.5	0	0	0	112.3	Y78 E79 K91 E325	Y78-H93 WeakPolarHBondContact CB-O 3.36Å; E79-H93 PolarHBondContact N-O 3.3Å; E79-H93 PolarHBondContact O-CE1 3.26Å; E79-H93 PolarHBondContact O-N 3.02Å; E79-H93 PolarHBondContact O-ND1 3.13Å; E79-H93 VanDerWaalsContact O-ND1 3.14Å; E79-H93 IonicContact OE2-NE2 3.97Å; K91-H93 PolarHBondContact O-N 3.46Å; K91-H93 PolarHBondContact O-ND1 2.92Å; H93-E325 HydrophobicContact CB-CB 4.09Å
94	V	86.6	Confident	80.6	Confident	39 Å²	39	51.6 Å²	51.6	24%	0.236	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-66.1	127.5	176.6	-178.5	0	0	0	0	109.3	Y78 L96 M326	Y78-V94 HydrophobicContact CD1-CG2 4.36Å; Y78-V94 HydrophobicContact CE1-CG2 4.37Å; V94-L96 PolarHBondContact O-N 3.32Å; V94-L96 VanDerWaalsContact O-N 3.1Å; V94-M326 HydrophobicContact CB-CB 4.31Å; V94-M326 HydrophobicContact CB-CE 3.81Å; V94-M326 HydrophobicContact CG1-CE 3.71Å; V94-M326 HydrophobicContact CG2-CE 4.01Å; V94-M326 PolarHBondContact N-O 3.01Å
95	P	88.6	Confident	82.1	Confident	25 Å²	25	44.8 Å²	44.8	16%	0.162	24%	0.243	C	C	.	.			trans	-66.3	112.2	-178.4	23.4	-31.9	0	0	0	111.5	E79 A281	E79-P95 HydrophobicContact CB-CB 4.08Å; E79-P95 WeakPolarHBondContact OE2-CA 3.38Å; E79-P95 WeakPolarHBondContact OE2-CB 3.29Å; P95-A281 HydrophobicContact CB-CB 3.93Å; P95-A281 HydrophobicContact CG-CB 3.9Å
96	L	89.3	Confident	83.7	Confident	29 Å²	29	37.6 Å²	37.6	15%	0.152	20%	0.199	C	C	.	.			trans	-86.7	109.8	170.3	-59.8	-173.6	0	0	0	109.9	V94 R277 L322 N324	V94-L96 PolarHBondContact O-N 3.32Å; V94-L96 VanDerWaalsContact O-N 3.1Å; L96-R277 VanDerWaalsContact O-CZ 3.25Å; L96-R277 PolarHBondContact O-NH1 3.43Å; L96-R277 PolarHBondContact O-NH2 2.68Å; L96-L322 HydrophobicContact CB-CD2 4.3Å; L96-L322 WeakPolarHBondContact O-CD2 3.43Å; L96-N324 WeakPolarHBondContact CD1-O 3.4Å
97	V	91.6	Very high	85.3	Confident	38 Å²	38	36.4 Å²	36.4	23%	0.23	19%	0.187	C	C	.	.			trans	-121.4	155.9	179.3	-63.5	0	0	0	0	110.9	L102 M274 R277 A281	V97-L102 HydrophobicContact CG2-CD1 4.5Å; V97-M274 HydrophobicContact CB-SD 4.38Å; V97-R277 HydrophobicContact CG1-CB 4.3Å; V97-A281 HydrophobicContact CG1-CB 4.22Å
98	T	90	Very high	86.5	Confident	44 Å²	44	32 Å²	32	27%	0.27	16%	0.164	S	C	.	.			trans	-94.7	149.3	-179.4	65	0	0	0	0	111.4	T100 G101 L102 M274 L322	T98-T100 VanDerWaalsContact C-N 3.26Å; T98-T100 PolarHBondContact O-N 3.1Å; T98-G101 PolarHBondContact O-N 2.93Å; T98-G101 PolarHBondContact OG1-N 3.45Å; T98-L102 PolarHBondContact O-N 3.37Å; T98-L102 VanDerWaalsContact O-N 3.11Å; T98-M274 HydrophobicContact CG2-CE 3.98Å; T98-M274 HydrophobicContact CG2-CG 4.47Å; T98-M274 HydrophobicContact CG2-SD 4.05Å; T98-M274 WeakPolarHBondContact OG1-CG 3.5Å; T98-L322 HydrophobicContact CG2-CD1 4.03Å; T98-L322 HydrophobicContact CG2-CD2 4Å; T98-L322 HydrophobicContact CG2-CG 4.5Å
99	S	88.3	Confident	87.7	Confident	55 Å²	55	26 Å²	26	39%	0.385	14%	0.142	S	C	.	.	H	α-helix	trans	-60.6	-37.2	172.6	53.5	0	0	0	0	111.9	G101 L102 F103	S99-G101 PolarHBondContact O-N 2.94Å; S99-L102 PolarHBondContact O-N 3.32Å; S99-F103 WeakPolarHBondContact O-CD2 3.36Å; S99-F103 WeakPolarHBondContact O-CG 3.31Å; S99-F103 PolarHBondContact O-N 3.24Å
100	T	88	Confident	88.3	Confident	57 Å²	57	31 Å²	31	35%	0.35	16%	0.16	S	C	.	.	H	α-helix	trans	-59.7	-44.7	173.8	-50	0	0	0	0	111.8	F16 T98 L102 F103 Q104	F16-T100 HydrophobicContact CE1-CG2 4.07Å; F16-T100 HydrophobicContact CZ-CG2 3.65Å; T98-T100 VanDerWaalsContact C-N 3.26Å; T98-T100 PolarHBondContact O-N 3.1Å; T100-L102 VanDerWaalsContact C-N 3.34Å; T100-L102 PolarHBondContact O-N 3.04Å; T100-F103 PolarHBondContact O-N 3.49Å; T100-Q104 PolarHBondContact O-N 3.21Å
101	G	92.1	Very high	88.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-39.9	176.2	0	0	0	0	0	112.7	T98 S99 Q104 L105	T98-G101 PolarHBondContact O-N 2.93Å; T98-G101 PolarHBondContact OG1-N 3.45Å; S99-G101 PolarHBondContact O-N 2.94Å; G101-Q104 PolarHBondContact O-N 3.13Å; G101-L105 WeakPolarHBondContact O-CB 3.19Å; G101-L105 PolarHBondContact O-N 3.34Å
102	L	92	Very high	89.7	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-40.2	173.9	-74	169.3	0	0	0	112.2	V97 T98 S99 T100 L105 K106 C278 L282 I305 F308	V97-L102 HydrophobicContact CG2-CD1 4.5Å; T98-L102 PolarHBondContact O-N 3.37Å; T98-L102 VanDerWaalsContact O-N 3.11Å; S99-L102 PolarHBondContact O-N 3.32Å; T100-L102 VanDerWaalsContact C-N 3.34Å; T100-L102 PolarHBondContact O-N 3.04Å; L102-L105 PolarHBondContact O-N 3.42Å; L102-K106 WeakPolarHBondContact O-CB 3.45Å; L102-K106 PolarHBondContact O-N 2.92Å; L102-C278 HydrophobicContact CD2-CB 3.97Å; L102-C278 HydrophobicContact CG-CB 4.47Å; L102-L282 HydrophobicContact CD2-CD1 4.13Å; L102-L282 HydrophobicContact CD2-CG 4.4Å; L102-I305 HydrophobicContact CB-CG2 4.38Å; L102-I305 HydrophobicContact CD2-CG2 4.33Å; L102-F308 HydrophobicContact CD1-CD1 4.11Å; L102-F308 HydrophobicContact CD1-CE1 4.08Å; L102-F308 HydrophobicContact CD2-CD1 3.96Å; L102-F308 HydrophobicContact CD2-CE1 4.01Å
103	F	90	Very high	90.4	Very high	57 Å²	57	30 Å²	30	25%	0.25	16%	0.155	C	C	.	.	H	α-helix	trans	-68.9	-37.6	177	-69.8	-39.1	0	0	0	113.2	P15 Q20 S99 T100 K106 N107 Q309	P15-F103 HydrophobicContact CB-CB 4.45Å; Q20-F103 PolarHBondContact NE2-O 3.22Å; Q20-F103 VanDerWaalsContact OE1-CB 3.29Å; S99-F103 WeakPolarHBondContact O-CD2 3.36Å; S99-F103 WeakPolarHBondContact O-CG 3.31Å; S99-F103 PolarHBondContact O-N 3.24Å; T100-F103 PolarHBondContact O-N 3.49Å; F103-K106 PolarHBondContact O-N 3.3Å; F103-N107 PolarHBondContact O-N 3.35Å; F103-N107 VanDerWaalsContact O-N 3.15Å; F103-Q309 VanDerWaalsContact CE1-NE2 3.33Å
104	Q	92.1	Very high	91.2	Very high	5 Å²	5	31.5 Å²	31.5	2%	0.023	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-44.4	171.6	-77.8	173.9	-37.6	0	0	111	L12 P15 T100 G101 K106 N107 C108 I275	L12-Q104 HydrophobicContact CD2-CB 4.1Å; L12-Q104 HydrophobicContact CD2-CG 4.37Å; P15-Q104 HydrophobicContact CG-CG 3.84Å; T100-Q104 PolarHBondContact O-N 3.21Å; G101-Q104 PolarHBondContact O-N 3.13Å; Q104-K106 VanDerWaalsContact C-N 3.31Å; Q104-K106 PolarHBondContact O-N 2.91Å; Q104-N107 WeakPolarHBondContact O-CB 3.35Å; Q104-N107 PolarHBondContact O-N 3.32Å; Q104-N107 VanDerWaalsContact O-N 3.11Å; Q104-C108 PolarHBondContact O-N 2.86Å; Q104-C108 PolarHBondContact O-SG 3.36Å; Q104-C108 VanDerWaalsContact O-SG 3.33Å; Q104-I275 HydrophobicContact CB-CD1 3.76Å; Q104-I275 HydrophobicContact CB-CG1 3.76Å; Q104-I275 HydrophobicContact CG-CD1 4.48Å
105	L	94.8	Very high	91.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-42.4	174.7	179.8	56.5	0	0	0	112.1	G101 L102 N107 C108 L109 F259 I275 C278 M279 L282 I305	G101-L105 WeakPolarHBondContact O-CB 3.19Å; G101-L105 PolarHBondContact O-N 3.34Å; L102-L105 PolarHBondContact O-N 3.42Å; L105-N107 VanDerWaalsContact C-N 3.28Å; L105-N107 PolarHBondContact O-N 2.95Å; L105-C108 HydrophobicContact CD1-CB 4.48Å; L105-C108 WeakPolarHBondContact O-CA 3.26Å; L105-C108 WeakPolarHBondContact O-CB 3.36Å; L105-C108 PolarHBondContact O-N 3.47Å; L105-C108 VanDerWaalsContact O-N 3.09Å; L105-L109 HydrophobicContact CD1-CG 4.41Å; L105-L109 PolarHBondContact O-N 3.18Å; L105-F259 HydrophobicContact CD1-CE1 3.97Å; L105-F259 HydrophobicContact CD1-CE2 4.19Å; L105-F259 HydrophobicContact CD1-CZ 3.61Å; L105-I275 HydrophobicContact CB-CG2 3.98Å; L105-I275 HydrophobicContact CD1-CG2 3.87Å; L105-I275 HydrophobicContact CG-CG2 4.48Å; L105-C278 HydrophobicContact CB-CB 4.44Å; L105-C278 HydrophobicContact CD2-CB 3.7Å; L105-M279 HydrophobicContact CD1-CB 4.31Å; L105-M279 HydrophobicContact CD1-CE 3.71Å; L105-M279 HydrophobicContact CD2-CB 3.97Å; L105-M279 HydrophobicContact CD2-CE 4.44Å; L105-L282 HydrophobicContact CD2-CD1 3.38Å; L105-L282 HydrophobicContact CG-CD1 4.5Å; L105-I305 HydrophobicContact CD2-CD1 4.46Å; L105-I305 HydrophobicContact CG-CD1 4.09Å
106	K	92.3	Very high	92.1	Very high	3 Å²	3	31 Å²	31	1%	0.013	16%	0.157	C	C	.	.	H	α-helix	trans	-57.1	-43	174.7	-172.6	179	179.9	177.5	0	111.3	H21 L102 F103 Q104 L109 R110 I305 D306	H21-K106 PolarHBondContact O-NZ 3.16Å; L102-K106 WeakPolarHBondContact O-CB 3.45Å; L102-K106 PolarHBondContact O-N 2.92Å; F103-K106 PolarHBondContact O-N 3.3Å; Q104-K106 VanDerWaalsContact C-N 3.31Å; Q104-K106 PolarHBondContact O-N 2.91Å; K106-L109 PolarHBondContact O-N 2.9Å; K106-R110 HydrophobicContact CG-CG 4.49Å; K106-R110 WeakPolarHBondContact O-CB 3.18Å; K106-R110 VanDerWaalsContact O-CG 3.32Å; K106-R110 WeakPolarHBondContact O-CG 3.47Å; K106-R110 PolarHBondContact O-N 2.92Å; K106-I305 HydrophobicContact CB-CD1 3.91Å; K106-I305 HydrophobicContact CB-CG2 4.4Å; K106-I305 HydrophobicContact CG-CD1 4.4Å; K106-D306 WeakPolarHBondContact CE-OD1 3.19Å; K106-D306 IonicContact NZ-OD1 3.89Å; K106-D306 PolarHBondContact NZ-OD1 3.48Å; K106-D306 IonicContact NZ-OD2 2.74Å; K106-D306 PolarHBondContact NZ-OD2 3.22Å
107	N	90.2	Very high	92.4	Very high	14 Å²	14	33.3 Å²	33.3	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-42.2	174.1	-81.8	4.3	0	0	0	112.4	I11 P15 Q20 F103 Q104 L105 L109 R110 R111	I11-N107 HydrophobicContact CG2-CB 3.83Å; I11-N107 PolarHBondContact O-ND2 3.02Å; P15-N107 WeakPolarHBondContact CD-ND2 3.47Å; P15-N107 VanDerWaalsContact CG-ND2 3.32Å; P15-N107 WeakPolarHBondContact CG-ND2 3.35Å; Q20-N107 PolarHBondContact NE2-OD1 3.19Å; F103-N107 PolarHBondContact O-N 3.35Å; F103-N107 VanDerWaalsContact O-N 3.15Å; Q104-N107 WeakPolarHBondContact O-CB 3.35Å; Q104-N107 PolarHBondContact O-N 3.32Å; Q104-N107 VanDerWaalsContact O-N 3.11Å; L105-N107 VanDerWaalsContact C-N 3.28Å; L105-N107 PolarHBondContact O-N 2.95Å; N107-L109 PolarHBondContact O-N 3.19Å; N107-R110 PolarHBondContact O-N 3.45Å; N107-R111 PolarHBondContact O-N 3.35Å
108	C	93.3	Very high	92.7	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	16%	0.164	C	C	.	.	H	α-helix	trans	-57.5	-35.2	174.9	-66.5	0	0	0	0	112.6	Q104 L105 G112 S234 F259	Q104-C108 PolarHBondContact O-N 2.86Å; Q104-C108 PolarHBondContact O-SG 3.36Å; Q104-C108 VanDerWaalsContact O-SG 3.33Å; L105-C108 HydrophobicContact CD1-CB 4.48Å; L105-C108 WeakPolarHBondContact O-CA 3.26Å; L105-C108 WeakPolarHBondContact O-CB 3.36Å; L105-C108 PolarHBondContact O-N 3.47Å; L105-C108 VanDerWaalsContact O-N 3.09Å; C108-G112 WeakPolarHBondContact O-CA 3.31Å; C108-G112 PolarHBondContact O-N 3.44Å; C108-G112 VanDerWaalsContact O-N 3.08Å; C108-S234 WeakPolarHBondContact CA-OG 3.31Å; C108-S234 PolarHBondContact O-OG 3.09Å; C108-F259 HydrophobicContact CB-CE2 4.38Å; C108-F259 HydrophobicContact CB-CZ 4.14Å
109	L	92.7	Very high	93.1	Very high	3 Å²	3	35 Å²	35	2%	0.016	18%	0.184	C	C	.	.	H	α-helix	trans	-81.4	-35.5	176.7	-63.2	-175.4	0	0	0	113.2	L105 K106 N107 F236 F259 M279 F288 A298 L301 I305	L105-L109 HydrophobicContact CD1-CG 4.41Å; L105-L109 PolarHBondContact O-N 3.18Å; K106-L109 PolarHBondContact O-N 2.9Å; N107-L109 PolarHBondContact O-N 3.19Å; L109-F236 HydrophobicContact CD2-CB 3.62Å; L109-F236 HydrophobicContact CD2-CD2 3.95Å; L109-F236 HydrophobicContact CD2-CG 3.96Å; L109-F259 HydrophobicContact CD2-CD2 4.37Å; L109-F259 HydrophobicContact CD2-CE2 4.12Å; L109-M279 HydrophobicContact CD1-CE 4.26Å; L109-M279 HydrophobicContact CD2-CE 3.86Å; L109-M279 HydrophobicContact CG-CE 4.44Å; L109-F288 HydrophobicContact CD1-CZ 4.48Å; L109-A298 VanDerWaalsContact O-CB 3.32Å; L109-A298 WeakPolarHBondContact O-CB 3.45Å; L109-L301 HydrophobicContact CB-CD2 4.34Å; L109-L301 HydrophobicContact CD1-CD2 3.74Å; L109-L301 HydrophobicContact CD1-CG 3.82Å; L109-L301 HydrophobicContact CD2-CD2 3.9Å; L109-L301 HydrophobicContact CG-CD2 4.21Å; L109-I305 HydrophobicContact CD1-CD1 3.6Å; L109-I305 HydrophobicContact CD1-CG1 4.42Å; L109-I305 HydrophobicContact CG-CD1 4.46Å
110	R	89.7	Confident	93.5	Very high	133 Å²	133	32.9 Å²	32.9	50%	0.502	17%	0.169	S	C	.	.	H	α-helix	trans	-72.8	-40.2	-179.7	-74.2	-174.4	67	156	-0.8	113.9	K106 N107 S302	K106-R110 HydrophobicContact CG-CG 4.49Å; K106-R110 WeakPolarHBondContact O-CB 3.18Å; K106-R110 VanDerWaalsContact O-CG 3.32Å; K106-R110 WeakPolarHBondContact O-CG 3.47Å; K106-R110 PolarHBondContact O-N 2.92Å; N107-R110 PolarHBondContact O-N 3.45Å; R110-S302 WeakPolarHBondContact CG-OG 3.43Å
111	R	88.1	Confident	93.7	Very high	103 Å²	103	32.8 Å²	32.8	39%	0.389	17%	0.173	S	C	.	.	H	α-helix	trans	-114.3	-19.2	-170.5	-65.8	-170.4	172.6	-148.6	12.3	113.5	D6 E14 N107	D6-R111 PolarHBondContact O-NH1 3.16Å; E14-R111 IonicContact OE1-CZ 2.62Å; E14-R111 VanDerWaalsContact OE1-CZ 3.28Å; E14-R111 IonicContact OE1-NH1 2.92Å; E14-R111 PolarHBondContact OE1-NH1 2.94Å; E14-R111 IonicContact OE1-NH2 3.47Å; E14-R111 PolarHBondContact OE1-NH2 2.87Å; E14-R111 IonicContact OE2-CZ 3.48Å; E14-R111 IonicContact OE2-NE 2.8Å; E14-R111 PolarHBondContact OE2-NE 3.5Å; E14-R111 IonicContact OE2-NH1 3.14Å; E14-R111 PolarHBondContact OE2-NH1 3.43Å; E14-R111 IonicContact OE2-NH2 3.09Å; E14-R111 PolarHBondContact OE2-NH2 3.42Å; N107-R111 PolarHBondContact O-N 3.35Å
112	G	91.6	Very high	93.8	Very high	11 Å²	11	35.2 Å²	35.2	11%	0.113	19%	0.188	C	C	.	.	S	Bend	trans	-71.8	176	168.8	0	0	0	0	0	112.1	C108 L114 S234	C108-G112 WeakPolarHBondContact O-CA 3.31Å; C108-G112 PolarHBondContact O-N 3.44Å; C108-G112 VanDerWaalsContact O-N 3.08Å; G112-L114 PolarHBondContact O-N 3.47Å; G112-S234 VanDerWaalsContact CA-OG 3.25Å; G112-S234 WeakPolarHBondContact CA-OG 3.36Å
113	S	96.1	Very high	94	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.6	-178.3	-47.3	0	0	0	0	110.3	W134 E137 S234 A235 F236	S113-W134 PolarHBondContact OG-NE1 3.45Å; S113-E137 WeakPolarHBondContact CB-OE2 3.5Å; S113-E137 PolarHBondContact OG-OE2 2.96Å; S113-S234 PolarHBondContact N-O 2.71Å; S113-A235 CarbonylContact O-C 3.41Å; S113-A235 VanDerWaalsContact O-CA 3.23Å; S113-A235 WeakPolarHBondContact O-CA 3.33Å; S113-F236 PolarHBondContact O-N 3.4Å
114	L	97.5	Very high	94.3	Very high	37 Å²	37	38 Å²	38	19%	0.194	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.5	177.8	-177.7	67.2	0	0	0	109.7	G112 L116 F236 A298 L301	G112-L114 PolarHBondContact O-N 3.47Å; L114-L116 HydrophobicContact CD1-CD2 3.88Å; L114-L116 HydrophobicContact CD1-CG 4.06Å; L114-L116 HydrophobicContact CD2-CD1 3.82Å; L114-L116 HydrophobicContact CD2-CG 4.11Å; L114-L116 HydrophobicContact CG-CD1 4.15Å; L114-L116 HydrophobicContact CG-CD2 4.25Å; L114-L116 HydrophobicContact CG-CG 3.85Å; L114-F236 HydrophobicContact CD1-CB 4.02Å; L114-F236 HydrophobicContact CD1-CD1 3.63Å; L114-F236 HydrophobicContact CD1-CG 4.24Å; L114-A298 HydrophobicContact CD2-CB 3.93Å; L114-L301 HydrophobicContact CD1-CD2 4.04Å
115	L	98.3	Very high	94.6	Very high	14 Å²	14	42.1 Å²	42.1	7%	0.073	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	97.9	178.9	-59	97.5	0	0	0	110.3	V118 T129 I130 K133 A235 F236 V237 R238	L115-V118 HydrophobicContact CB-CG2 3.62Å; L115-V118 HydrophobicContact CD2-CG2 4.35Å; L115-T129 HydrophobicContact CD2-CG2 3.74Å; L115-I130 HydrophobicContact CD1-CG1 4.49Å; L115-K133 HydrophobicContact CD1-CB 4.45Å; L115-K133 HydrophobicContact CD1-CG 4.21Å; L115-K133 HydrophobicContact CD2-CB 4.03Å; L115-K133 HydrophobicContact CD2-CG 4.23Å; L115-K133 HydrophobicContact CG-CB 4.49Å; L115-K133 HydrophobicContact CG-CG 4.2Å; L115-A235 HydrophobicContact CD1-CB 4.3Å; L115-F236 PolarHBondContact N-O 3.2Å; L115-V237 HydrophobicContact CB-CB 4.48Å; L115-V237 HydrophobicContact CB-CG1 4.11Å; L115-V237 HydrophobicContact CB-CG2 4.18Å; L115-V237 HydrophobicContact CD1-CG2 4.04Å; L115-V237 CarbonylContact O-C 3.55Å; L115-V237 VanDerWaalsContact O-CA 3.27Å; L115-V237 WeakPolarHBondContact O-CA 3.46Å; L115-R238 PolarHBondContact O-N 2.91Å
116	L	96.9	Very high	94.7	Very high	38 Å²	38	42.1 Å²	42.1	20%	0.199	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.8	-178.2	-62.4	174.7	0	0	0	111.4	L114 F236 R238 A295 M296	L114-L116 HydrophobicContact CD1-CD2 3.88Å; L114-L116 HydrophobicContact CD1-CG 4.06Å; L114-L116 HydrophobicContact CD2-CD1 3.82Å; L114-L116 HydrophobicContact CD2-CG 4.11Å; L114-L116 HydrophobicContact CG-CD1 4.15Å; L114-L116 HydrophobicContact CG-CD2 4.25Å; L114-L116 HydrophobicContact CG-CG 3.85Å; L116-F236 HydrophobicContact CD2-CD1 4.48Å; L116-F236 HydrophobicContact CD2-CE1 4.43Å; L116-R238 HydrophobicContact CD2-CB 3.89Å; L116-A295 WeakPolarHBondContact CD1-O 3.42Å; L116-M296 VanDerWaalsContact CD1-C 3.41Å; L116-M296 WeakPolarHBondContact CD1-O 3.5Å
117	N	95.9	Very high	95	Very high	79 Å²	79	42 Å²	42	42%	0.422	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60.7	49.1	179	-45.7	-44.6	0	0	0	112.2	R238 T240	N117-R238 WeakPolarHBondContact CA-O 3.46Å; N117-R238 PolarHBondContact N-O 3.03Å; N117-R238 PolarHBondContact ND2-NH2 3.02Å; N117-R238 PolarHBondContact OD1-NE 3.19Å; N117-R238 PolarHBondContact OD1-NH2 3.15Å; N117-T240 WeakPolarHBondContact CA-OG1 3.37Å; N117-T240 WeakPolarHBondContact CB-OG1 3.37Å; N117-T240 PolarHBondContact O-OG1 2.97Å
118	V	97.8	Very high	95.4	Very high	19 Å²	19	42 Å²	42	12%	0.115	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	138.2	173.9	176.2	0	0	0	0	110	L115 V120 L126 T129 V237 R238 L239 T240	L115-V118 HydrophobicContact CB-CG2 3.62Å; L115-V118 HydrophobicContact CD2-CG2 4.35Å; V118-V120 HydrophobicContact CG1-CG1 3.7Å; V118-V120 HydrophobicContact CG1-CG2 4.1Å; V118-L126 HydrophobicContact CG1-CD1 4.22Å; V118-T129 HydrophobicContact CG1-CG2 4.36Å; V118-V237 HydrophobicContact CB-CG1 4.09Å; V118-V237 HydrophobicContact CG2-CG1 3.86Å; V118-R238 PolarHBondContact N-O 3.39Å; V118-L239 HydrophobicContact CB-CD2 4Å; V118-L239 HydrophobicContact CG1-CD2 4.14Å; V118-L239 CarbonylContact O-C 3.54Å; V118-L239 VanDerWaalsContact O-CA 3.29Å; V118-L239 WeakPolarHBondContact O-CA 3.38Å; V118-T240 PolarHBondContact O-N 3.26Å
119	S	97.4	Very high	95.6	Very high	99 Å²	99	44.1 Å²	44.1	69%	0.692	24%	0.237	S	C	*	.			trans	-120.7	112.7	175	-173.7	0	0	0	0	109.4
120	V	96.3	Very high	95.9	Very high	10 Å²	10	44 Å²	44	6%	0.061	24%	0.237	C	C	.	.			trans	-146.3	135.6	-173.9	-73.6	0	0	0	0	110.1	V118 E125 L126 L239 R243 F245	V118-V120 HydrophobicContact CG1-CG1 3.7Å; V118-V120 HydrophobicContact CG1-CG2 4.1Å; V120-E125 HydrophobicContact CB-CB 3.93Å; V120-E125 HydrophobicContact CG1-CB 3.97Å; V120-L126 HydrophobicContact CB-CB 4.48Å; V120-L126 HydrophobicContact CG2-CB 3.8Å; V120-L126 HydrophobicContact CG2-CD1 4.06Å; V120-L126 HydrophobicContact CG2-CG 4.33Å; V120-L239 HydrophobicContact CG2-CD2 3.83Å; V120-R243 VanDerWaalsContact O-CD 3.23Å; V120-R243 WeakPolarHBondContact O-CD 3.01Å; V120-R243 PolarHBondContact O-NH1 3.06Å; V120-F245 HydrophobicContact CG2-CZ 4.17Å
121	A	92.9	Very high	96.2	Very high	54 Å²	54	38 Å²	38	45%	0.446	21%	0.214	S	C	.	.	S	Bend	trans	-80	-33.1	-176.1	0	0	0	0	0	113.5	E125	A121-E125 PolarHBondContact N-OE2 3.36Å
122	T	94.7	Very high	96.7	Very high	51 Å²	51	38 Å²	38	31%	0.313	22%	0.222	S	C	.	.	S	Bend	trans	-128.3	161.4	-173	61.7	0	0	0	0	110.6	E124 E125 L126 F245	T122-E124 WeakPolarHBondContact CB-OE2 3.29Å; T122-E125 PolarHBondContact O-N 2.87Å; T122-E125 VanDerWaalsContact OG1-CG 3.27Å; T122-E125 WeakPolarHBondContact OG1-CG 3.3Å; T122-E125 PolarHBondContact OG1-N 3.32Å; T122-E125 PolarHBondContact OG1-OE1 2.98Å; T122-L126 PolarHBondContact O-N 2.97Å; T122-F245 VanDerWaalsContact C-CE1 3.45Å; T122-F245 WeakPolarHBondContact O-CE1 3.38Å
123	F	95.7	Very high	96.9	Very high	16 Å²	16	40 Å²	40	7%	0.07	23%	0.227	C	C	.	.	H	α-helix	trans	-72.2	-27	176.6	-179.5	-107.8	0	0	0	110.8	L126 A127 L152 L153 L222 F245 L248 L258	F123-L126 HydrophobicContact CD2-CB 4.43Å; F123-L126 HydrophobicContact CD2-CD2 4.17Å; F123-L126 HydrophobicContact CE2-CD2 4.41Å; F123-L126 WeakPolarHBondContact O-CB 3.37Å; F123-L126 PolarHBondContact O-N 3.42Å; F123-A127 WeakPolarHBondContact O-CB 3.34Å; F123-A127 PolarHBondContact O-N 2.96Å; F123-L152 WeakPolarHBondContact CE1-O 3.37Å; F123-L153 HydrophobicContact CD1-CD2 3.67Å; F123-L153 HydrophobicContact CE1-CD2 3.87Å; F123-L222 HydrophobicContact CZ-CD1 4.18Å; F123-F245 HydrophobicContact CB-CB 4.18Å; F123-F245 HydrophobicContact CB-CD1 3.94Å; F123-F245 HydrophobicContact CB-CG 4.12Å; F123-L248 HydrophobicContact CD2-CD1 4.09Å; F123-L248 HydrophobicContact CD2-CD2 3.52Å; F123-L248 HydrophobicContact CD2-CG 4.39Å; F123-L248 HydrophobicContact CE1-CD1 4.36Å; F123-L248 HydrophobicContact CE2-CD1 3.79Å; F123-L248 HydrophobicContact CE2-CD2 3.76Å; F123-L248 HydrophobicContact CE2-CG 4.45Å; F123-L248 HydrophobicContact CG-CD1 4.49Å; F123-L248 HydrophobicContact CG-CD2 4.27Å; F123-L248 HydrophobicContact CZ-CD1 3.94Å; F123-L258 HydrophobicContact CE2-CD2 4.17Å
124	E	96.3	Very high	96.9	Very high	104 Å²	104	40 Å²	40	49%	0.486	23%	0.227	S	C	.	.	H	α-helix	trans	-58.9	-47.5	171.1	-65.8	74.8	-170.6	0	0	111.8	T122 L126 A127 G128 L153	T122-E124 WeakPolarHBondContact CB-OE2 3.29Å; E124-L126 VanDerWaalsContact C-N 3.35Å; E124-A127 PolarHBondContact O-N 3.38Å; E124-G128 PolarHBondContact O-N 2.96Å; E124-L153 HydrophobicContact CB-CD2 4.41Å; E124-L153 HydrophobicContact CG-CD1 4.02Å; E124-L153 HydrophobicContact CG-CD2 4Å
125	E	97.6	Very high	96.7	Very high	91 Å²	91	41.4 Å²	41.4	43%	0.425	23%	0.232	S	C	.	.	H	α-helix	trans	-63.5	-39.8	173.8	-76	165.1	-143.3	0	0	112.2	V120 A121 T122 G128 T129	V120-E125 HydrophobicContact CB-CB 3.93Å; V120-E125 HydrophobicContact CG1-CB 3.97Å; A121-E125 PolarHBondContact N-OE2 3.36Å; T122-E125 PolarHBondContact O-N 2.87Å; T122-E125 VanDerWaalsContact OG1-CG 3.27Å; T122-E125 WeakPolarHBondContact OG1-CG 3.3Å; T122-E125 PolarHBondContact OG1-N 3.32Å; T122-E125 PolarHBondContact OG1-OE1 2.98Å; E125-G128 PolarHBondContact O-N 3.34Å; E125-T129 PolarHBondContact O-N 3.41Å; E125-T129 PolarHBondContact O-OG1 2.9Å
126	L	97.9	Very high	96.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-48	177	-176.9	51	0	0	0	111.5	V118 V120 T122 F123 E124 G128 T129 I130 V237 L239 F245 L258	V118-L126 HydrophobicContact CG1-CD1 4.22Å; V120-L126 HydrophobicContact CB-CB 4.48Å; V120-L126 HydrophobicContact CG2-CB 3.8Å; V120-L126 HydrophobicContact CG2-CD1 4.06Å; V120-L126 HydrophobicContact CG2-CG 4.33Å; T122-L126 PolarHBondContact O-N 2.97Å; F123-L126 HydrophobicContact CD2-CB 4.43Å; F123-L126 HydrophobicContact CD2-CD2 4.17Å; F123-L126 HydrophobicContact CE2-CD2 4.41Å; F123-L126 WeakPolarHBondContact O-CB 3.37Å; F123-L126 PolarHBondContact O-N 3.42Å; E124-L126 VanDerWaalsContact C-N 3.35Å; L126-G128 VanDerWaalsContact C-N 3.29Å; L126-G128 PolarHBondContact O-N 3.35Å; L126-T129 PolarHBondContact O-N 2.93Å; L126-I130 HydrophobicContact CD1-CD1 4.41Å; L126-I130 HydrophobicContact CG-CD1 4.35Å; L126-I130 WeakPolarHBondContact O-CG1 3.39Å; L126-I130 PolarHBondContact O-N 3.48Å; L126-I130 VanDerWaalsContact O-N 3.07Å; L126-V237 HydrophobicContact CD1-CG1 3.91Å; L126-L239 HydrophobicContact CD1-CD2 4.2Å; L126-L239 HydrophobicContact CD2-CD2 4.49Å; L126-F245 HydrophobicContact CD2-CE2 4.21Å; L126-F245 HydrophobicContact CD2-CZ 4.2Å; L126-L258 HydrophobicContact CD2-CD2 3.66Å; L126-L258 HydrophobicContact CG-CD2 4.06Å
127	A	97.8	Very high	96.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-40.4	176.5	0	0	0	0	0	111.2	F123 E124 I130 I131 F149 L152 L153	F123-A127 WeakPolarHBondContact O-CB 3.34Å; F123-A127 PolarHBondContact O-N 2.96Å; E124-A127 PolarHBondContact O-N 3.38Å; A127-I130 PolarHBondContact O-N 3.15Å; A127-I131 VanDerWaalsContact O-CG1 3.28Å; A127-I131 WeakPolarHBondContact O-CG1 3.4Å; A127-I131 PolarHBondContact O-N 3.04Å; A127-F149 HydrophobicContact CB-CD2 4.13Å; A127-F149 HydrophobicContact CB-CE2 3.97Å; A127-L152 HydrophobicContact CB-CB 4.25Å; A127-L152 HydrophobicContact CB-CD1 4.19Å; A127-L153 HydrophobicContact CB-CD2 3.85Å; A127-L153 HydrophobicContact CB-CG 4.49Å
128	G	98	Very high	96.1	Very high	15 Å²	15	55.4 Å²	55.4	16%	0.155	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-47.1	174.8	0	0	0	0	0	111.8	E124 E125 L126 I130 I131 D132	E124-G128 PolarHBondContact O-N 2.96Å; E125-G128 PolarHBondContact O-N 3.34Å; L126-G128 VanDerWaalsContact C-N 3.29Å; L126-G128 PolarHBondContact O-N 3.35Å; G128-I130 VanDerWaalsContact C-N 3.3Å; G128-I130 PolarHBondContact O-N 3.31Å; G128-I131 WeakPolarHBondContact O-CB 3.49Å; G128-I131 PolarHBondContact O-N 3.18Å; G128-I131 VanDerWaalsContact O-N 3.1Å; G128-D132 VanDerWaalsContact O-CG 3.23Å; G128-D132 PolarHBondContact O-N 2.75Å
129	T	98.4	Very high	95.7	Very high	46 Å²	46	55.2 Å²	55.2	28%	0.282	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-38.3	178.7	-51	0	0	0	0	112.4	L115 V118 E125 L126 K133	L115-T129 HydrophobicContact CD2-CG2 3.74Å; V118-T129 HydrophobicContact CG1-CG2 4.36Å; E125-T129 PolarHBondContact O-N 3.41Å; E125-T129 PolarHBondContact O-OG1 2.9Å; L126-T129 PolarHBondContact O-N 2.93Å; T129-K133 WeakPolarHBondContact O-CB 3.29Å; T129-K133 PolarHBondContact O-N 3.41Å; T129-K133 VanDerWaalsContact O-N 3.14Å
130	I	98.4	Very high	95.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-43.7	176.1	-67	166.3	0	0	0	110.6	L115 L126 A127 G128 K133 W134 A235 V237 L258 V260	L115-I130 HydrophobicContact CD1-CG1 4.49Å; L126-I130 HydrophobicContact CD1-CD1 4.41Å; L126-I130 HydrophobicContact CG-CD1 4.35Å; L126-I130 WeakPolarHBondContact O-CG1 3.39Å; L126-I130 PolarHBondContact O-N 3.48Å; L126-I130 VanDerWaalsContact O-N 3.07Å; A127-I130 PolarHBondContact O-N 3.15Å; G128-I130 VanDerWaalsContact C-N 3.3Å; G128-I130 PolarHBondContact O-N 3.31Å; I130-K133 WeakPolarHBondContact O-CB 3.28Å; I130-K133 PolarHBondContact O-N 2.92Å; I130-W134 HydrophobicContact CG2-CD2 4Å; I130-W134 HydrophobicContact CG2-CE3 3.83Å; I130-W134 HydrophobicContact CG2-CH2 3.68Å; I130-W134 HydrophobicContact CG2-CZ2 3.84Å; I130-W134 HydrophobicContact CG2-CZ3 3.66Å; I130-W134 PolarHBondContact O-N 3.1Å; I130-A235 HydrophobicContact CG2-CB 3.85Å; I130-V237 HydrophobicContact CD1-CG2 3.96Å; I130-V237 HydrophobicContact CG1-CG2 3.98Å; I130-L258 HydrophobicContact CD1-CD2 3.74Å; I130-V260 HydrophobicContact CD1-CG2 4.21Å
131	I	97.6	Very high	95.2	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-48	178.7	-72.1	-65.6	0	0	0	111.2	A127 G128 K133 W134 E135 T145 I148 F149	A127-I131 VanDerWaalsContact O-CG1 3.28Å; A127-I131 WeakPolarHBondContact O-CG1 3.4Å; A127-I131 PolarHBondContact O-N 3.04Å; G128-I131 WeakPolarHBondContact O-CB 3.49Å; G128-I131 PolarHBondContact O-N 3.18Å; G128-I131 VanDerWaalsContact O-N 3.1Å; I131-K133 PolarHBondContact O-N 3.28Å; I131-W134 HydrophobicContact CD1-CE3 3.86Å; I131-W134 HydrophobicContact CD1-CZ3 4.16Å; I131-W134 CarbonylContact O-C 3.55Å; I131-W134 PolarHBondContact O-N 2.84Å; I131-E135 PolarHBondContact O-N 3.26Å; I131-T145 HydrophobicContact CG2-CG2 3.36Å; I131-I148 HydrophobicContact CD1-CB 3.92Å; I131-I148 HydrophobicContact CD1-CG2 3.58Å; I131-F149 HydrophobicContact CG1-CB 4.19Å; I131-F149 HydrophobicContact CG1-CD2 4.14Å
132	D	96.8	Very high	94.8	Very high	102 Å²	102	58.2 Å²	58.2	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-56	-38.7	176.9	-67.2	-17.2	0	0	0	110.5	G128 E135 E136	G128-D132 VanDerWaalsContact O-CG 3.23Å; G128-D132 PolarHBondContact O-N 2.75Å; D132-E135 PolarHBondContact O-N 2.93Å; D132-E136 WeakPolarHBondContact O-CB 3.25Å; D132-E136 PolarHBondContact O-N 2.91Å
133	K	96.9	Very high	94.5	Very high	54 Å²	54	61.1 Å²	61.1	24%	0.235	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-43.9	176.4	-169.7	67.1	-169.8	161.8	0	112.4	L115 T129 I130 I131 E135 E136 E137	L115-K133 HydrophobicContact CD1-CB 4.45Å; L115-K133 HydrophobicContact CD1-CG 4.21Å; L115-K133 HydrophobicContact CD2-CB 4.03Å; L115-K133 HydrophobicContact CD2-CG 4.23Å; L115-K133 HydrophobicContact CG-CB 4.49Å; L115-K133 HydrophobicContact CG-CG 4.2Å; T129-K133 WeakPolarHBondContact O-CB 3.29Å; T129-K133 PolarHBondContact O-N 3.41Å; T129-K133 VanDerWaalsContact O-N 3.14Å; I130-K133 WeakPolarHBondContact O-CB 3.28Å; I130-K133 PolarHBondContact O-N 2.92Å; I131-K133 PolarHBondContact O-N 3.28Å; K133-E135 VanDerWaalsContact C-N 3.32Å; K133-E135 PolarHBondContact O-N 3.37Å; K133-E136 WeakPolarHBondContact CD-OE2 3.35Å; K133-E136 IonicContact NZ-OE1 3.94Å; K133-E136 IonicContact NZ-OE2 3.87Å; K133-E136 PolarHBondContact NZ-OE2 2.95Å; K133-E136 PolarHBondContact O-N 3.47Å; K133-E137 WeakPolarHBondContact CE-OE1 3.5Å; K133-E137 IonicContact NZ-OE1 2.76Å; K133-E137 WeakPolarHBondContact O-CB 3.46Å; K133-E137 WeakPolarHBondContact O-CG 3.42Å; K133-E137 PolarHBondContact O-N 2.97Å
134	W	96.3	Very high	94.3	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-33.6	174.6	-75.9	-28.9	0	0	0	112.8	S113 I130 I131 R138 A139 V140 I148 L233 S234 A235 V260 L262	S113-W134 PolarHBondContact OG-NE1 3.45Å; I130-W134 HydrophobicContact CG2-CD2 4Å; I130-W134 HydrophobicContact CG2-CE3 3.83Å; I130-W134 HydrophobicContact CG2-CH2 3.68Å; I130-W134 HydrophobicContact CG2-CZ2 3.84Å; I130-W134 HydrophobicContact CG2-CZ3 3.66Å; I130-W134 PolarHBondContact O-N 3.1Å; I131-W134 HydrophobicContact CD1-CE3 3.86Å; I131-W134 HydrophobicContact CD1-CZ3 4.16Å; I131-W134 CarbonylContact O-C 3.55Å; I131-W134 PolarHBondContact O-N 2.84Å; W134-R138 PolarHBondContact O-N 3.48Å; W134-A139 HydrophobicContact CB-CB 4.02Å; W134-A139 HydrophobicContact CG-CB 4.24Å; W134-A139 WeakPolarHBondContact O-CA 3.35Å; W134-A139 WeakPolarHBondContact O-CB 3.4Å; W134-A139 PolarHBondContact O-N 3.42Å; W134-V140 HydrophobicContact CB-CG1 4.19Å; W134-V140 HydrophobicContact CB-CG2 3.85Å; W134-V140 PolarHBondContact O-N 2.98Å; W134-I148 HydrophobicContact CE3-CG2 4.44Å; W134-I148 HydrophobicContact CZ3-CG2 3.82Å; W134-L233 HydrophobicContact CD2-CD1 4.36Å; W134-L233 HydrophobicContact CE3-CD1 4.24Å; W134-L233 HydrophobicContact CH2-CB 4.26Å; W134-L233 HydrophobicContact CZ2-CB 3.86Å; W134-L233 HydrophobicContact CZ3-CD1 4.42Å; W134-S234 PolarHBondContact NE1-O 2.99Å; W134-A235 HydrophobicContact CH2-CB 4.5Å; W134-A235 HydrophobicContact CZ2-CB 3.66Å; W134-V260 HydrophobicContact CH2-CB 4.44Å; W134-V260 HydrophobicContact CH2-CG1 3.92Å; W134-L262 HydrophobicContact CH2-CD1 3.8Å; W134-L262 HydrophobicContact CH2-CG 4.33Å; W134-L262 HydrophobicContact CZ3-CD1 3.91Å
135	E	93.8	Very high	94.1	Very high	67 Å²	67	57 Å²	57	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-68.2	-44.2	173.6	-73.2	-167.4	153.1	0	0	111.8	I131 D132 K133 E137 R138 V140 T145	I131-E135 PolarHBondContact O-N 3.26Å; D132-E135 PolarHBondContact O-N 2.93Å; K133-E135 VanDerWaalsContact C-N 3.32Å; K133-E135 PolarHBondContact O-N 3.37Å; E135-E137 VanDerWaalsContact C-N 3.29Å; E135-E137 PolarHBondContact O-N 3.33Å; E135-R138 WeakPolarHBondContact O-CA 3.4Å; E135-R138 PolarHBondContact O-N 3.3Å; E135-V140 HydrophobicContact CG-CG2 3.66Å; E135-T145 WeakPolarHBondContact OE1-CB 3.27Å; E135-T145 VanDerWaalsContact OE1-CG2 3.25Å; E135-T145 WeakPolarHBondContact OE1-CG2 3.27Å; E135-T145 PolarHBondContact OE1-OG1 2.99Å
136	E	94.1	Very high	93.8	Very high	135 Å²	135	55.6 Å²	55.6	63%	0.631	28%	0.284	S	S	*	.	H	α-helix	trans	-56.2	-44.4	175.1	-173	-165.5	180	0	0	111.2	D132 K133 R138	D132-E136 WeakPolarHBondContact O-CB 3.25Å; D132-E136 PolarHBondContact O-N 2.91Å; K133-E136 WeakPolarHBondContact CD-OE2 3.35Å; K133-E136 IonicContact NZ-OE1 3.94Å; K133-E136 IonicContact NZ-OE2 3.87Å; K133-E136 PolarHBondContact NZ-OE2 2.95Å; K133-E136 PolarHBondContact O-N 3.47Å; E136-R138 PolarHBondContact O-N 3.22Å
137	E	92.9	Very high	93.5	Very high	74 Å²	74	58.5 Å²	58.5	35%	0.346	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.8	178.8	-69.4	175.7	174.8	0	0	113.2	S113 K133 E135 A139	S113-E137 WeakPolarHBondContact CB-OE2 3.5Å; S113-E137 PolarHBondContact OG-OE2 2.96Å; K133-E137 WeakPolarHBondContact CE-OE1 3.5Å; K133-E137 IonicContact NZ-OE1 2.76Å; K133-E137 WeakPolarHBondContact O-CB 3.46Å; K133-E137 WeakPolarHBondContact O-CG 3.42Å; K133-E137 PolarHBondContact O-N 2.97Å; E135-E137 VanDerWaalsContact C-N 3.29Å; E135-E137 PolarHBondContact O-N 3.33Å; E137-A139 HydrophobicContact CB-CB 4.46Å; E137-A139 PolarHBondContact O-N 3.27Å
138	R	91.5	Very high	93.4	Very high	216 Å²	216	58.5 Å²	58.5	82%	0.815	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	31.8	-172.6	-54.5	179.5	-179.3	178.5	-1.1	112.4	W134 E135 E136	W134-R138 PolarHBondContact O-N 3.48Å; E135-R138 WeakPolarHBondContact O-CA 3.4Å; E135-R138 PolarHBondContact O-N 3.3Å; E136-R138 PolarHBondContact O-N 3.22Å
139	A	89.4	Confident	93.3	Very high	15 Å²	15	61 Å²	61	12%	0.124	30%	0.303	C	S	.	.			trans	-78.1	-27.4	176.6	0	0	0	0	0	111.4	W134 E137 K231 L233	W134-A139 HydrophobicContact CB-CB 4.02Å; W134-A139 HydrophobicContact CG-CB 4.24Å; W134-A139 WeakPolarHBondContact O-CA 3.35Å; W134-A139 WeakPolarHBondContact O-CB 3.4Å; W134-A139 PolarHBondContact O-N 3.42Å; E137-A139 HydrophobicContact CB-CB 4.46Å; E137-A139 PolarHBondContact O-N 3.27Å; A139-K231 WeakPolarHBondContact O-CE 3.47Å; A139-K231 PolarHBondContact O-NZ 3.45Å; A139-L233 HydrophobicContact CB-CD2 3.7Å
140	V	91.4	Very high	93	Very high	16 Å²	16	67.5 Å²	67.5	10%	0.097	32%	0.323	C	S	.	.	S	Bend	trans	-128.1	154.3	177.4	-65.7	0	0	0	0	112.3	W134 E135 E144 T145 I148 L233	W134-V140 HydrophobicContact CB-CG1 4.19Å; W134-V140 HydrophobicContact CB-CG2 3.85Å; W134-V140 PolarHBondContact O-N 2.98Å; E135-V140 HydrophobicContact CG-CG2 3.66Å; V140-E144 WeakPolarHBondContact CA-OE2 3.37Å; V140-E144 HydrophobicContact CB-CB 4.2Å; V140-E144 HydrophobicContact CG1-CB 4.48Å; V140-T145 WeakPolarHBondContact CG2-OG1 3.47Å; V140-I148 HydrophobicContact CG1-CD1 3.62Å; V140-L233 HydrophobicContact CG1-CD1 3.45Å; V140-L233 VanDerWaalsContact CG1-CD1 3.45Å; V140-L233 HydrophobicContact CG1-CD2 4.28Å
141	N	89.8	Confident	92.8	Very high	70 Å²	70	67.5 Å²	67.5	37%	0.374	32%	0.323	S	S	.	.			trans	-98.1	167.7	167.9	64	41.2	0	0	0	111.9	T143 E144 T145	N141-T143 PolarHBondContact O-N 2.88Å; N141-T143 VanDerWaalsContact O-N 3.15Å; N141-T143 PolarHBondContact OD1-N 2.97Å; N141-T143 PolarHBondContact OD1-OG1 3.3Å; N141-E144 VanDerWaalsContact CG-OE2 3.3Å; N141-E144 PolarHBondContact N-OE2 3.4Å; N141-E144 PolarHBondContact ND2-OE1 3.31Å; N141-E144 PolarHBondContact ND2-OE2 3.08Å; N141-E144 WeakPolarHBondContact O-CB 3.35Å; N141-E144 PolarHBondContact O-N 3.29Å; N141-E144 VanDerWaalsContact O-N 3.09Å; N141-E144 VanDerWaalsContact OD1-CB 3.29Å; N141-E144 WeakPolarHBondContact OD1-CB 3.32Å; N141-E144 VanDerWaalsContact OD1-CD 3.24Å; N141-E144 WeakPolarHBondContact OD1-CG 3.46Å; N141-E144 PolarHBondContact OD1-N 3.21Å; N141-E144 PolarHBondContact OD1-OE2 2.92Å; N141-T145 PolarHBondContact O-N 2.69Å; N141-T145 PolarHBondContact O-OG1 3.05Å; N141-T145 VanDerWaalsContact O-OG1 3.11Å
142	M	86.6	Confident	92.7	Very high	141 Å²	141	67.3 Å²	67.3	70%	0.695	32%	0.322	S	S	*	.	H	α-helix	trans	-56.1	-35.1	-175.8	-171.3	63	63	0	0	114
143	T	86.6	Confident	92.6	Very high	111 Å²	111	65 Å²	65	68%	0.681	31%	0.309	S	S	*	.	H	α-helix	trans	-72.2	-42	177.7	37.8	0	0	0	0	112.3	N141 F147	N141-T143 PolarHBondContact O-N 2.88Å; N141-T143 VanDerWaalsContact O-N 3.15Å; N141-T143 PolarHBondContact OD1-N 2.97Å; N141-T143 PolarHBondContact OD1-OG1 3.3Å; T143-F147 PolarHBondContact O-N 3.1Å
144	E	91.6	Very high	92.4	Very high	17 Å²	17	66.5 Å²	66.5	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-44	175	-74	157.1	-168.2	0	0	110.7	V140 N141 S146 F147 I148 V228 L229	V140-E144 WeakPolarHBondContact CA-OE2 3.37Å; V140-E144 HydrophobicContact CB-CB 4.2Å; V140-E144 HydrophobicContact CG1-CB 4.48Å; N141-E144 VanDerWaalsContact CG-OE2 3.3Å; N141-E144 PolarHBondContact N-OE2 3.4Å; N141-E144 PolarHBondContact ND2-OE1 3.31Å; N141-E144 PolarHBondContact ND2-OE2 3.08Å; N141-E144 WeakPolarHBondContact O-CB 3.35Å; N141-E144 PolarHBondContact O-N 3.29Å; N141-E144 VanDerWaalsContact O-N 3.09Å; N141-E144 VanDerWaalsContact OD1-CB 3.29Å; N141-E144 WeakPolarHBondContact OD1-CB 3.32Å; N141-E144 VanDerWaalsContact OD1-CD 3.24Å; N141-E144 WeakPolarHBondContact OD1-CG 3.46Å; N141-E144 PolarHBondContact OD1-N 3.21Å; N141-E144 PolarHBondContact OD1-OE2 2.92Å; E144-S146 PolarHBondContact O-N 2.87Å; E144-F147 PolarHBondContact O-N 3.19Å; E144-I148 HydrophobicContact CB-CD1 3.98Å; E144-I148 WeakPolarHBondContact O-CB 3.44Å; E144-I148 VanDerWaalsContact O-CG1 3.23Å; E144-I148 WeakPolarHBondContact O-CG1 3.24Å; E144-I148 PolarHBondContact O-N 3.39Å; E144-V228 HydrophobicContact CG-CB 4.49Å; E144-V228 HydrophobicContact CG-CG2 4.32Å; E144-L229 HydrophobicContact CG-CD2 4.46Å
145	T	92.7	Very high	92.1	Very high	16 Å²	16	70.8 Å²	70.8	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-49.2	-55.5	178.8	-68.2	0	0	0	0	111.8	I131 E135 V140 N141 F147 I148 F149	I131-T145 HydrophobicContact CG2-CG2 3.36Å; E135-T145 WeakPolarHBondContact OE1-CB 3.27Å; E135-T145 VanDerWaalsContact OE1-CG2 3.25Å; E135-T145 WeakPolarHBondContact OE1-CG2 3.27Å; E135-T145 PolarHBondContact OE1-OG1 2.99Å; V140-T145 WeakPolarHBondContact CG2-OG1 3.47Å; N141-T145 PolarHBondContact O-N 2.69Å; N141-T145 PolarHBondContact O-OG1 3.05Å; N141-T145 VanDerWaalsContact O-OG1 3.11Å; T145-F147 VanDerWaalsContact C-N 3.28Å; T145-F147 PolarHBondContact O-N 2.91Å; T145-I148 PolarHBondContact O-N 3.38Å; T145-F149 VanDerWaalsContact O-CB 3.26Å; T145-F149 WeakPolarHBondContact O-CB 3.45Å; T145-F149 PolarHBondContact O-N 3.43Å
146	S	91.1	Very high	91.9	Very high	63 Å²	63	68.1 Å²	68.1	44%	0.441	32%	0.324	S	S	.	.	H	α-helix	trans	-62.7	-36.7	-178	-68.7	0	0	0	0	112.3	E144 R150	E144-S146 PolarHBondContact O-N 2.87Å; S146-R150 WeakPolarHBondContact O-CB 3.17Å; S146-R150 VanDerWaalsContact O-CG 3.28Å; S146-R150 WeakPolarHBondContact O-CG 3.47Å; S146-R150 PolarHBondContact O-N 3.38Å
147	F	92.6	Very high	91.5	Very high	61 Å²	61	64.7 Å²	64.7	27%	0.268	31%	0.307	S	S	.	.	H	α-helix	trans	-70.6	-46.9	179.1	-175	-84	0	0	0	111.6	T143 E144 T145 R150 T151 I226 V228	T143-F147 PolarHBondContact O-N 3.1Å; E144-F147 PolarHBondContact O-N 3.19Å; T145-F147 VanDerWaalsContact C-N 3.28Å; T145-F147 PolarHBondContact O-N 2.91Å; F147-R150 PolarHBondContact O-N 3.38Å; F147-T151 WeakPolarHBondContact CE1-OG1 3.24Å; F147-T151 WeakPolarHBondContact O-CB 3.03Å; F147-T151 PolarHBondContact O-N 3.42Å; F147-T151 PolarHBondContact O-OG1 2.96Å; F147-I226 HydrophobicContact CD1-CG2 3.88Å; F147-I226 HydrophobicContact CE1-CD1 4.45Å; F147-I226 HydrophobicContact CE1-CG2 3.63Å; F147-V228 HydrophobicContact CB-CG2 4.22Å; F147-V228 HydrophobicContact CD1-CG2 3.62Å; F147-V228 HydrophobicContact CE1-CG2 4.2Å; F147-V228 HydrophobicContact CG-CG2 3.92Å
148	I	94.8	Very high	90.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.4	-45.1	-177.6	-65	163.1	0	0	0	110	I131 W134 V140 E144 T145 R150 T151 L152 L229 L233 L262	I131-I148 HydrophobicContact CD1-CB 3.92Å; I131-I148 HydrophobicContact CD1-CG2 3.58Å; W134-I148 HydrophobicContact CE3-CG2 4.44Å; W134-I148 HydrophobicContact CZ3-CG2 3.82Å; V140-I148 HydrophobicContact CG1-CD1 3.62Å; E144-I148 HydrophobicContact CB-CD1 3.98Å; E144-I148 WeakPolarHBondContact O-CB 3.44Å; E144-I148 VanDerWaalsContact O-CG1 3.23Å; E144-I148 WeakPolarHBondContact O-CG1 3.24Å; E144-I148 PolarHBondContact O-N 3.39Å; T145-I148 PolarHBondContact O-N 3.38Å; I148-R150 PolarHBondContact O-N 2.86Å; I148-T151 CarbonylContact O-C 3.57Å; I148-T151 WeakPolarHBondContact O-CA 3.35Å; I148-T151 WeakPolarHBondContact O-CB 3.35Å; I148-T151 PolarHBondContact O-N 3.31Å; I148-L152 HydrophobicContact CG2-CD1 4.27Å; I148-L152 HydrophobicContact CG2-CG 4.3Å; I148-L152 WeakPolarHBondContact O-CG 3.43Å; I148-L152 PolarHBondContact O-N 3.35Å; I148-L229 HydrophobicContact CD1-CD2 3.9Å; I148-L233 HydrophobicContact CD1-CD1 3.8Å; I148-L262 HydrophobicContact CG2-CD1 3.52Å
149	F	95.6	Very high	89.7	Confident	68 Å²	68	52 Å²	52	30%	0.298	26%	0.258	S	S	.	.	H	α-helix	trans	-56.5	-50.3	176.9	-176.8	-105.7	0	0	0	111.4	A127 I131 T145 T151 L152 L153	A127-F149 HydrophobicContact CB-CD2 4.13Å; A127-F149 HydrophobicContact CB-CE2 3.97Å; I131-F149 HydrophobicContact CG1-CB 4.19Å; I131-F149 HydrophobicContact CG1-CD2 4.14Å; T145-F149 VanDerWaalsContact O-CB 3.26Å; T145-F149 WeakPolarHBondContact O-CB 3.45Å; T145-F149 PolarHBondContact O-N 3.43Å; F149-T151 VanDerWaalsContact C-N 3.27Å; F149-T151 PolarHBondContact O-N 2.98Å; F149-L152 PolarHBondContact O-N 3.24Å; F149-L153 HydrophobicContact CD1-CD1 4.11Å; F149-L153 HydrophobicContact CE1-CD1 3.52Å; F149-L153 HydrophobicContact CE2-CD1 4.15Å; F149-L153 HydrophobicContact CZ-CD1 3.56Å; F149-L153 HydrophobicContact CZ-CG 4.48Å; F149-L153 WeakPolarHBondContact O-CG 3.25Å; F149-L153 PolarHBondContact O-N 3.01Å
150	R	93.1	Very high	88.1	Confident	183 Å²	183	51.4 Å²	51.4	69%	0.691	25%	0.254	S	S	*	.	H	α-helix	trans	-60.7	-37.9	175.3	-72.6	177.1	-176.5	-179.7	2.8	112.2	S146 F147 I148 L153 R154	S146-R150 WeakPolarHBondContact O-CB 3.17Å; S146-R150 VanDerWaalsContact O-CG 3.28Å; S146-R150 WeakPolarHBondContact O-CG 3.47Å; S146-R150 PolarHBondContact O-N 3.38Å; F147-R150 PolarHBondContact O-N 3.38Å; I148-R150 PolarHBondContact O-N 2.86Å; R150-L153 PolarHBondContact O-N 3.23Å; R150-R154 WeakPolarHBondContact O-CG 3.39Å; R150-R154 PolarHBondContact O-N 3.35Å
151	T	94.2	Very high	86	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-46.3	178.4	-62.2	0	0	0	0	111.7	L60 Y67 W69 F147 I148 F149 L153 R154 I226	L60-T151 HydrophobicContact CD1-CG2 4.11Å; L60-T151 HydrophobicContact CD2-CG2 3.49Å; L60-T151 VanDerWaalsContact CD2-CG2 3.49Å; L60-T151 HydrophobicContact CG-CG2 4.46Å; Y67-T151 HydrophobicContact CE1-CG2 4.46Å; W69-T151 HydrophobicContact CZ2-CG2 4.17Å; W69-T151 PolarHBondContact NE1-O 2.96Å; F147-T151 WeakPolarHBondContact CE1-OG1 3.24Å; F147-T151 WeakPolarHBondContact O-CB 3.03Å; F147-T151 PolarHBondContact O-N 3.42Å; F147-T151 PolarHBondContact O-OG1 2.96Å; I148-T151 CarbonylContact O-C 3.57Å; I148-T151 WeakPolarHBondContact O-CA 3.35Å; I148-T151 WeakPolarHBondContact O-CB 3.35Å; I148-T151 PolarHBondContact O-N 3.31Å; F149-T151 VanDerWaalsContact C-N 3.27Å; F149-T151 PolarHBondContact O-N 2.98Å; T151-L153 VanDerWaalsContact C-N 3.26Å; T151-L153 PolarHBondContact O-N 3.42Å; T151-R154 WeakPolarHBondContact O-CB 3.33Å; T151-R154 WeakPolarHBondContact O-CG 3.38Å; T151-R154 PolarHBondContact O-N 3.18Å; T151-I226 HydrophobicContact CG2-CD1 3.84Å
152	L	95.6	Very high	83.7	Confident	2 Å²	2	61 Å²	61	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-39.4	176.1	-69.6	178	0	0	0	111.3	W69 F123 A127 I148 F149 R154 K156 L222 V260	W69-L152 HydrophobicContact CZ2-CD2 4.32Å; F123-L152 WeakPolarHBondContact CE1-O 3.37Å; A127-L152 HydrophobicContact CB-CB 4.25Å; A127-L152 HydrophobicContact CB-CD1 4.19Å; I148-L152 HydrophobicContact CG2-CD1 4.27Å; I148-L152 HydrophobicContact CG2-CG 4.3Å; I148-L152 WeakPolarHBondContact O-CG 3.43Å; I148-L152 PolarHBondContact O-N 3.35Å; F149-L152 PolarHBondContact O-N 3.24Å; L152-R154 VanDerWaalsContact C-N 3.31Å; L152-R154 PolarHBondContact O-N 2.97Å; L152-K156 PolarHBondContact O-NZ 3.38Å; L152-L222 HydrophobicContact CD2-CD1 4.3Å; L152-V260 HydrophobicContact CD2-CG1 3.88Å
153	L	94.6	Very high	81.4	Confident	53 Å²	53	58 Å²	58	28%	0.277	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-2.6	-178.2	-61.5	-175.6	0	0	0	115.6	F123 E124 A127 F149 R150 T151	F123-L153 HydrophobicContact CD1-CD2 3.67Å; F123-L153 HydrophobicContact CE1-CD2 3.87Å; E124-L153 HydrophobicContact CB-CD2 4.41Å; E124-L153 HydrophobicContact CG-CD1 4.02Å; E124-L153 HydrophobicContact CG-CD2 4Å; A127-L153 HydrophobicContact CB-CD2 3.85Å; A127-L153 HydrophobicContact CB-CG 4.49Å; F149-L153 HydrophobicContact CD1-CD1 4.11Å; F149-L153 HydrophobicContact CE1-CD1 3.52Å; F149-L153 HydrophobicContact CE2-CD1 4.15Å; F149-L153 HydrophobicContact CZ-CD1 3.56Å; F149-L153 HydrophobicContact CZ-CG 4.48Å; F149-L153 WeakPolarHBondContact O-CG 3.25Å; F149-L153 PolarHBondContact O-N 3.01Å; R150-L153 PolarHBondContact O-N 3.23Å; T151-L153 VanDerWaalsContact C-N 3.26Å; T151-L153 PolarHBondContact O-N 3.42Å
154	R	92.8	Very high	78.9	Confident	86 Å²	86	54.8 Å²	54.8	33%	0.325	28%	0.275	S	S	.	.	S	Bend	trans	-61.9	160.6	178.4	-63.8	-164	-176.7	-139.7	9.1	112.5	Y67 R150 T151 L152 K156	Y67-R154 WeakPolarHBondContact O-CD 3.4Å; Y67-R154 PolarHBondContact O-NH1 3.4Å; R150-R154 WeakPolarHBondContact O-CG 3.39Å; R150-R154 PolarHBondContact O-N 3.35Å; T151-R154 WeakPolarHBondContact O-CB 3.33Å; T151-R154 WeakPolarHBondContact O-CG 3.38Å; T151-R154 PolarHBondContact O-N 3.18Å; L152-R154 VanDerWaalsContact C-N 3.31Å; L152-R154 PolarHBondContact O-N 2.97Å; R154-K156 WeakPolarHBondContact O-CD 3.22Å; R154-K156 VanDerWaalsContact O-CE 3.3Å; R154-K156 WeakPolarHBondContact O-CE 3.48Å; R154-K156 PolarHBondContact O-NZ 2.99Å
155	N	89.4	Confident	76.5	Confident	91 Å²	91	56 Å²	56	49%	0.487	28%	0.284	S	S	.	.			trans	-56.4	143.4	-179.4	-171.1	35.6	0	0	0	112.1	W69	W69-N155 PolarHBondContact N-O 3.19Å
156	K	90.2	Very high	74.4	Confident	12 Å²	12	59 Å²	59	5%	0.052	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.1	173.9	-70.8	80.8	-166.6	165.4	0	108.4	L58 W69 L152 R154 Y247 L248	L58-K156 HydrophobicContact CD2-CB 3.61Å; L58-K156 HydrophobicContact CD2-CG 3.47Å; L58-K156 VanDerWaalsContact CD2-CG 3.47Å; W69-K156 HydrophobicContact CB-CB 4.48Å; W69-K156 HydrophobicContact CB-CG 3.96Å; W69-K156 HydrophobicContact CG-CG 4.46Å; W69-K156 CarbonylContact O-C 3.6Å; W69-K156 WeakPolarHBondContact O-CA 3.47Å; L152-K156 PolarHBondContact O-NZ 3.38Å; R154-K156 WeakPolarHBondContact O-CD 3.22Å; R154-K156 VanDerWaalsContact O-CE 3.3Å; R154-K156 WeakPolarHBondContact O-CE 3.48Å; R154-K156 PolarHBondContact O-NZ 2.99Å; K156-Y247 WeakPolarHBondContact CB-O 3.48Å; K156-L248 HydrophobicContact CD-CD1 4.01Å; K156-L248 HydrophobicContact CG-CD1 4.32Å
157	E	84.9	Confident	72.5	Confident	62 Å²	62	56.1 Å²	56.1	29%	0.29	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.9	178.7	-68.4	-177.2	-176.2	0	0	109.6	C68 W69 K70 E71	C68-E157 PolarHBondContact SG-OE1 2.69Å; C68-E157 VanDerWaalsContact SG-OE1 3.36Å; W69-E157 PolarHBondContact O-N 3.18Å; K70-E157 WeakPolarHBondContact CE-OE2 3.45Å; K70-E157 HydrophobicContact CG-CB 4.33Å; E71-E157 PolarHBondContact N-O 3.47Å
158	H	81	Confident	70.3	Confident	11 Å²	11	55 Å²	55	5%	0.051	28%	0.279	C	S	.	.			trans	-118.2	143	178.7	-59.6	-86.8	0	0	0	109.2	E56 E71 G160 L248 E250	E56-H158 IonicContact OE1-CE1 3.63Å; E56-H158 IonicContact OE1-ND1 3.93Å; E71-H158 IonicContact OE2-CG 3.35Å; E71-H158 IonicContact OE2-ND1 2.75Å; E71-H158 PolarHBondContact OE2-ND1 3.07Å; H158-G160 VanDerWaalsContact C-N 3.33Å; H158-G160 PolarHBondContact O-N 3.33Å; H158-L248 PolarHBondContact NE2-O 3.44Å; H158-E250 HydrophobicContact CB-CB 3.96Å; H158-E250 HydrophobicContact CB-CG 3.88Å; H158-E250 PolarHBondContact CE1-N 3.04Å
159	V	66.3	Low	68.1	Low	12 Å²	12	58.7 Å²	58.7	7%	0.073	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-36.3	-170.9	-178.8	0	0	0	0	111.8	L82 N87 W89 R161 T162 T163	L82-V159 HydrophobicContact CD1-CB 4.49Å; L82-V159 HydrophobicContact CD1-CG1 4.26Å; L82-V159 HydrophobicContact CD1-CG2 3.46Å; L82-V159 VanDerWaalsContact CD1-CG2 3.46Å; L82-V159 HydrophobicContact CD2-CG2 3.64Å; L82-V159 HydrophobicContact CG-CG2 4.14Å; N87-V159 VanDerWaalsContact O-CG1 3.26Å; N87-V159 WeakPolarHBondContact O-CG1 3.27Å; W89-V159 HydrophobicContact CH2-CG2 4.46Å; W89-V159 HydrophobicContact CZ2-CB 4.22Å; W89-V159 HydrophobicContact CZ2-CG2 3.87Å; V159-R161 VanDerWaalsContact C-N 3.32Å; V159-R161 PolarHBondContact O-N 3.45Å; V159-T162 PolarHBondContact O-N 2.99Å; V159-T162 PolarHBondContact O-OG1 3.36Å; V159-T163 PolarHBondContact O-OG1 2.87Å
160	G	54.4	Low	65.8	Low	4 Å²	4	57 Å²	57	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-66.5	-25.2	-175.2	0	0	0	0	0	115.5	H158 T162 G164 T165 E250	H158-G160 VanDerWaalsContact C-N 3.33Å; H158-G160 PolarHBondContact O-N 3.33Å; G160-T162 PolarHBondContact O-N 3.48Å; G160-G164 PolarHBondContact O-N 2.93Å; G160-T165 WeakPolarHBondContact CA-OG1 3.28Å; G160-E250 WeakPolarHBondContact CA-OE1 3.32Å; G160-E250 PolarHBondContact N-OE1 3.04Å
161	R	47.8	Very low	63.6	Low	168 Å²	168	49.7 Å²	49.7	63%	0.634	27%	0.272	S	S	*	.	H	α-helix	trans	-66.7	-24	179	-95.1	-176.5	159.9	148.7	-2.4	113.9	V159	V159-R161 VanDerWaalsContact C-N 3.32Å; V159-R161 PolarHBondContact O-N 3.45Å
162	T	41.9	Very low	60.7	Low	120 Å²	120	58.7 Å²	58.7	74%	0.736	31%	0.306	S	S	*	.	H	α-helix	trans	-100.6	-19	-178.2	26.7	0	0	0	0	114.5	V159 G160	V159-T162 PolarHBondContact O-N 2.99Å; V159-T162 PolarHBondContact O-OG1 3.36Å; G160-T162 PolarHBondContact O-N 3.48Å
163	T	38.7	Very low	57.8	Low	77 Å²	77	68.9 Å²	68.9	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-130.4	-0.1	-168.1	55.7	0	0	0	0	115.9	V159 T165	V159-T163 PolarHBondContact O-OG1 2.87Å; T163-T165 PolarHBondContact O-N 3.48Å; T163-T165 WeakPolarHBondContact OG1-CG2 3.29Å; T163-T165 PolarHBondContact OG1-OG1 2.92Å; T163-T165 VanDerWaalsContact OG1-OG1 3.11Å
164	G	34.2	Very low	54.6	Low	44 Å²	44	71.6 Å²	71.6	45%	0.454	37%	0.365	S	S	.	.			trans	63.4	22.7	-179.6	0	0	0	0	0	113.2	G160 C169	G160-G164 PolarHBondContact O-N 2.93Å; G164-C169 PolarHBondContact O-SG 3.4Å
165	T	40	Very low	51.5	Low	42 Å²	42	72.6 Å²	72.6	26%	0.258	38%	0.381	S	S	.	.			trans	-65.4	147.5	178.3	33.6	0	0	0	0	111.2	G160 T163 L167 S168	G160-T165 WeakPolarHBondContact CA-OG1 3.28Å; T163-T165 PolarHBondContact O-N 3.48Å; T163-T165 WeakPolarHBondContact OG1-CG2 3.29Å; T163-T165 PolarHBondContact OG1-OG1 2.92Å; T163-T165 VanDerWaalsContact OG1-OG1 3.11Å; T165-L167 PolarHBondContact O-N 2.98Å; T165-S168 PolarHBondContact O-OG 3.46Å
166	N	49.4	Very low	48.4	Very low	79 Å²	79	73.2 Å²	73.2	42%	0.422	40%	0.399	S	S	.	.	H	α-helix	trans	-57.3	-28.9	-143.5	-83	-41.3	0	0	0	117.8	C169 L170 N206	N166-C169 PolarHBondContact O-N 3.3Å; N166-L170 WeakPolarHBondContact O-CG 3.31Å; N166-L170 PolarHBondContact O-N 2.88Å; N166-N206 PolarHBondContact ND2-ND2 2.85Å; N166-N206 VanDerWaalsContact ND2-ND2 3.18Å
167	L	50.7	Low	45.4	Very low	3 Å²	3	76.9 Å²	76.9	2%	0.016	43%	0.426	C	S	.	.	H	α-helix	trans	-69.1	-44.7	-171.2	-67.5	-172.3	0	0	0	114	F54 R74 I76 T165 C169 L170 L171 L209 L213 I251	F54-L167 HydrophobicContact CE2-CD1 4.34Å; F54-L167 HydrophobicContact CZ-CD1 4.32Å; R74-L167 VanDerWaalsContact CZ-CD1 3.44Å; R74-L167 VanDerWaalsContact NH1-CD1 3.25Å; I76-L167 HydrophobicContact CD1-CD1 4.39Å; T165-L167 PolarHBondContact O-N 2.98Å; L167-C169 PolarHBondContact O-N 3.35Å; L167-L170 HydrophobicContact CD2-CD1 4Å; L167-L170 PolarHBondContact O-N 3.27Å; L167-L170 VanDerWaalsContact O-N 3.09Å; L167-L171 PolarHBondContact O-N 3.46Å; L167-L209 HydrophobicContact CD2-CB 4.28Å; L167-L209 HydrophobicContact CD2-CD1 3.79Å; L167-L209 HydrophobicContact CD2-CD2 4.44Å; L167-L209 HydrophobicContact CD2-CG 4.44Å; L167-L213 HydrophobicContact CD2-CD1 4.1Å; L167-I251 HydrophobicContact CB-CG2 4.3Å
168	S	47.2	Very low	42.6	Very low	38 Å²	38	82.8 Å²	82.8	27%	0.266	45%	0.453	S	S	.	.	H	α-helix	trans	-62.8	-34.7	177.9	55.1	0	0	0	0	111.4	T165 W172	T165-S168 PolarHBondContact O-OG 3.46Å; S168-W172 PolarHBondContact O-N 3.01Å
169	C	47.3	Very low	39.9	Very low	77 Å²	77	88.2 Å²	88.2	52%	0.52	49%	0.487	S	S	.	.	H	α-helix	trans	-69.9	-30	176.1	-62.4	0	0	0	0	112.5	G164 N166 L167	G164-C169 PolarHBondContact O-SG 3.4Å; N166-C169 PolarHBondContact O-N 3.3Å; L167-C169 PolarHBondContact O-N 3.35Å
170	L	48	Very low	37.9	Very low	32 Å²	32	93.5 Å²	93.5	17%	0.168	53%	0.525	C	S	.	.	H	α-helix	trans	-73.3	-34.8	-178.8	-73.8	165.2	0	0	0	113.6	N166 L167 N206 K210	N166-L170 WeakPolarHBondContact O-CG 3.31Å; N166-L170 PolarHBondContact O-N 2.88Å; L167-L170 HydrophobicContact CD2-CD1 4Å; L167-L170 PolarHBondContact O-N 3.27Å; L167-L170 VanDerWaalsContact O-N 3.09Å; L170-N206 HydrophobicContact CD1-CB 3.82Å; L170-N206 HydrophobicContact CD2-CB 4.19Å; L170-K210 HydrophobicContact CD2-CD 4.38Å; L170-K210 WeakPolarHBondContact O-CE 3.31Å; L170-K210 PolarHBondContact O-NZ 3.08Å
171	L	47.3	Very low	36.7	Very low	29 Å²	29	97.4 Å²	97.4	15%	0.152	56%	0.557	C	S	.	*	H	α-helix	trans	-98.9	-16.7	-172.3	-68.2	174.6	0	0	0	114.5	L167 R173 L213 I251 P252	L167-L171 PolarHBondContact O-N 3.46Å; L171-R173 PolarHBondContact O-N 3.5Å; L171-L213 HydrophobicContact CD1-CB 4.09Å; L171-L213 HydrophobicContact CD1-CD1 3.96Å; L171-L213 HydrophobicContact CD2-CB 4.01Å; L171-I251 HydrophobicContact CD1-CB 3.97Å; L171-I251 HydrophobicContact CD1-CD1 4.38Å; L171-I251 HydrophobicContact CD1-CG2 4.26Å; L171-P252 HydrophobicContact CB-CG 4.14Å; L171-P252 HydrophobicContact CD1-CG 4.38Å
172	W	34	Very low	35.5	Very low	191 Å²	191	96.4 Å²	96.4	72%	0.723	56%	0.564	S	S	*	*			trans	-71.2	115.6	179.9	-144.8	67.1	0	0	0	110.9	S168	S168-W172 PolarHBondContact O-N 3.01Å
173	R	34	Very low	34.8	Very low	216 Å²	216	95.4 Å²	95.4	82%	0.815	56%	0.562	S	S	*	*			trans	-82.3	124.7	166.4	-76	-177.6	178.3	178.9	0.9	107.7	L171 T175	L171-R173 PolarHBondContact O-N 3.5Å; R173-T175 PolarHBondContact O-N 3.42Å
174	P	27	Very low	34.1	Very low	109 Å²	109	100 Å²	100	71%	0.708	58%	0.578	S	S	*	*			trans	-61.5	110	174.2	0.2	6.7	0	0	0	108.7	A176	P174-A176 PolarHBondContact O-N 3.25Å; P174-A176 VanDerWaalsContact O-N 3.15Å
175	T	28.6	Very low	33.7	Very low	107 Å²	107	104 Å²	104	66%	0.656	59%	0.593	S	S	*	*			trans	-65.3	111.1	159.5	39.9	0	0	0	0	106.6	R173 S177	R173-T175 PolarHBondContact O-N 3.42Å; T175-S177 VanDerWaalsContact C-N 3.3Å; T175-S177 PolarHBondContact O-N 2.89Å
176	A	24.4	Very low	32.9	Very low	105 Å²	105	110 Å²	110	87%	0.868	62%	0.618	S	S	*	*	S	Bend	trans	-60.9	84.8	-177.7	0	0	0	0	0	111.7	P174	P174-A176 PolarHBondContact O-N 3.25Å; P174-A176 VanDerWaalsContact O-N 3.15Å
177	S	26.5	Very low	31.9	Very low	89 Å²	89	111.3 Å²	111.3	62%	0.622	63%	0.631	S	S	*	*			trans	-178.3	96.8	161.3	55.3	0	0	0	0	108.7	T175	T175-S177 VanDerWaalsContact C-N 3.3Å; T175-S177 PolarHBondContact O-N 2.89Å
178	Q	26.2	Very low	30.8	Very low	185 Å²	185	115.7 Å²	115.7	86%	0.864	67%	0.668	S	S	*	*			trans	-178.8	98.1	142.4	-98.7	162.8	59.6	0	0	109.8
179	T	25	Very low	29.8	Very low	125 Å²	125	122.7 Å²	122.7	77%	0.767	70%	0.696	S	S	*	*			trans	20.9	117.8	134.7	52.8	0	0	0	0	118.1	A181	T179-A181 PolarHBondContact O-N 2.95Å
180	S	23.5	Very low	28.9	Very low	123 Å²	123	129.9 Å²	129.9	86%	0.86	71%	0.712	S	S	*	*			trans	-23.4	111.9	154.2	-43.2	0	0	0	0	113.9
181	A	28.5	Very low	28	Very low	87 Å²	87	136.9 Å²	136.9	72%	0.719	74%	0.744	S	S	*	*			trans	-133.2	94.1	160.1	0	0	0	0	0	107.3	T179 S183	T179-A181 PolarHBondContact O-N 2.95Å; A181-S183 PolarHBondContact O-N 3.49Å; A181-S183 VanDerWaalsContact O-N 3.16Å
182	D	23.6	Very low	27.2	Very low	146 Å²	146	141.6 Å²	141.6	78%	0.781	77%	0.769	S	S	*	*			trans	-52.2	113.8	170.9	-67.4	-45.2	0	0	0	109.8
183	S	26.6	Very low	27.2	Very low	99 Å²	99	141.5 Å²	141.5	69%	0.692	78%	0.776	S	S	*	*			trans	-129.1	91.1	165.6	-62.9	0	0	0	0	107.2	A181 V185	A181-S183 PolarHBondContact O-N 3.49Å; A181-S183 VanDerWaalsContact O-N 3.16Å; S183-V185 VanDerWaalsContact C-N 3.28Å; S183-V185 PolarHBondContact O-N 3.46Å
184	H	24.7	Very low	27.6	Very low	175 Å²	175	137.4 Å²	137.4	81%	0.81	76%	0.761	S	S	*	*			trans	-59.8	87.4	168.7	-76.1	-84.4	0	0	0	109.8
185	V	25.2	Very low	28.5	Very low	127 Å²	127	137.6 Å²	137.6	77%	0.77	76%	0.756	S	S	*	*			trans	-93.5	103.3	164.6	-176.4	0	0	0	0	106.8	S183	S183-V185 VanDerWaalsContact C-N 3.28Å; S183-V185 PolarHBondContact O-N 3.46Å
186	H	22.9	Very low	29.4	Very low	169 Å²	169	140.7 Å²	140.7	78%	0.782	76%	0.763	S	S	*	*			trans	-54.9	126.6	170.8	-90.4	-87	0	0	0	109.7	A188	H186-A188 PolarHBondContact O-N 2.74Å; H186-A188 VanDerWaalsContact O-N 3.1Å
187	P	28.6	Very low	30.6	Very low	106 Å²	106	143.7 Å²	143.7	69%	0.688	76%	0.759	S	S	*	*			trans	-69.8	110.5	173.2	18.6	-15.7	0	0	0	108.3	H189	P187-H189 PolarHBondContact O-N 2.95Å; P187-H189 VanDerWaalsContact O-N 3.08Å
188	A	27.2	Very low	31.6	Very low	95 Å²	95	142.3 Å²	142.3	79%	0.785	74%	0.744	S	S	*	*			trans	-62.5	111.3	168	0	0	0	0	0	108	H186 R190	H186-A188 PolarHBondContact O-N 2.74Å; H186-A188 VanDerWaalsContact O-N 3.1Å; A188-R190 VanDerWaalsContact C-N 3.27Å; A188-R190 PolarHBondContact O-N 2.83Å
189	H	26.7	Very low	32.9	Very low	185 Å²	185	139 Å²	139	86%	0.856	73%	0.729	S	S	*	*			trans	-58.8	84.4	172.3	-76	-76.3	0	0	0	110.7	P187	P187-H189 PolarHBondContact O-N 2.95Å; P187-H189 VanDerWaalsContact O-N 3.08Å
190	R	27.8	Very low	34.5	Very low	228 Å²	228	137.5 Å²	137.5	86%	0.86	72%	0.716	S	S	*	*			trans	-92.5	99.8	156.2	-87.7	-175.4	-179.7	166.6	0.7	107	A188 N192	A188-R190 VanDerWaalsContact C-N 3.27Å; A188-R190 PolarHBondContact O-N 2.83Å; R190-N192 PolarHBondContact O-N 3.33Å
191	Q	28.7	Very low	36	Very low	179 Å²	179	136.9 Å²	136.9	84%	0.836	70%	0.698	S	S	*	*			trans	-63.5	83.8	164.6	-77.1	171.7	-37.4	0	0	108.5
192	N	32	Very low	37.1	Very low	127 Å²	127	136.3 Å²	136.3	68%	0.679	68%	0.681	S	S	*	*			trans	-80.1	110.9	154.2	-92.6	-2.8	0	0	0	105.6	R190 R194	R190-N192 PolarHBondContact O-N 3.33Å; N192-R194 PolarHBondContact O-N 2.98Å
193	H	33.8	Very low	38.8	Very low	189 Å²	189	135.1 Å²	135.1	88%	0.875	67%	0.67	S	S	*	*			trans	-59.5	88.2	161	-94.3	-88	0	0	0	107.5
194	R	42.5	Very low	40.3	Very low	130 Å²	130	136.5 Å²	136.5	49%	0.491	66%	0.664	S	S	.	*			trans	-95.8	130.1	162.1	-82.2	179.5	169.2	-163.2	-10.5	106.3	N192 E202	N192-R194 PolarHBondContact O-N 2.98Å; R194-E202 IonicContact NH1-OE1 2.96Å
195	D	45	Very low	41.8	Very low	114 Å²	114	129.9 Å²	129.9	61%	0.61	63%	0.632	S	S	*	*			trans	-65.6	136.4	178.2	-67.8	-40.6	0	0	0	109.2	Q197 D198	D195-Q197 PolarHBondContact O-N 3Å; D195-D198 PolarHBondContact O-N 3.02Å
196	E	48.9	Very low	43.5	Very low	171 Å²	171	124.9 Å²	124.9	80%	0.799	60%	0.601	S	S	*	*	H	α-helix	trans	-52.4	-26.9	-179.6	-70.9	177.9	161.8	0	0	112.7	E199 D200	E196-E199 PolarHBondContact O-N 2.87Å; E196-D200 PolarHBondContact O-N 3.39Å
197	Q	48.7	Very low	45.5	Very low	168 Å²	168	122 Å²	122	79%	0.785	59%	0.588	S	S	*	*	H	α-helix	trans	-65.8	-34.2	176.7	-68.6	-176.1	-4.1	0	0	113.6	D195 F201	D195-Q197 PolarHBondContact O-N 3Å; Q197-F201 PolarHBondContact O-N 3.33Å
198	D	47.6	Very low	47.1	Very low	60 Å²	60	123 Å²	123	32%	0.321	58%	0.584	S	S	.	*	H	α-helix	trans	-71.7	-37.2	179.1	-89.9	-26	0	0	0	111.1	K91 D195 F201 E202	K91-D198 IonicContact NZ-OD1 3.17Å; K91-D198 PolarHBondContact NZ-OD1 3.07Å; K91-D198 IonicContact NZ-OD2 2.7Å; K91-D198 PolarHBondContact NZ-OD2 3.15Å; D195-D198 PolarHBondContact O-N 3.02Å; D198-F201 PolarHBondContact O-N 3.16Å; D198-E202 PolarHBondContact O-N 3.17Å
199	E	54	Low	48.9	Very low	116 Å²	116	118.8 Å²	118.8	54%	0.542	55%	0.548	S	S	.	.	H	α-helix	trans	-67.4	-42.6	178.3	-67.7	-166	168.2	0	0	111.9	E196 F201 E202 Q203	E196-E199 PolarHBondContact O-N 2.87Å; E199-F201 VanDerWaalsContact C-N 3.29Å; E199-F201 PolarHBondContact O-N 3.42Å; E199-E202 PolarHBondContact O-N 3Å; E199-Q203 WeakPolarHBondContact O-CB 3.49Å; E199-Q203 PolarHBondContact O-N 3.17Å
200	D	57.5	Low	50.9	Low	94 Å²	94	114.2 Å²	114.2	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-38.2	175.5	-99.3	-0.6	0	0	0	112.2	E196 K204	E196-D200 PolarHBondContact O-N 3.39Å; D200-K204 WeakPolarHBondContact O-CB 3.28Å; D200-K204 WeakPolarHBondContact O-CG 3.32Å; D200-K204 PolarHBondContact O-N 3.11Å; D200-K204 VanDerWaalsContact O-N 3.16Å
201	F	54.9	Low	53	Low	110 Å²	110	110.8 Å²	110.8	48%	0.482	52%	0.517	S	S	.	.	H	α-helix	trans	-67.9	-49.1	175.6	179	-92	0	0	0	111.5	P92 Q197 D198 E199 Q203 K204 Y205	P92-F201 HydrophobicContact CG-CE1 4.35Å; Q197-F201 PolarHBondContact O-N 3.33Å; D198-F201 PolarHBondContact O-N 3.16Å; E199-F201 VanDerWaalsContact C-N 3.29Å; E199-F201 PolarHBondContact O-N 3.42Å; F201-Q203 VanDerWaalsContact C-N 3.31Å; F201-Q203 PolarHBondContact O-N 3.47Å; F201-K204 PolarHBondContact O-N 2.9Å; F201-Y205 VanDerWaalsContact O-CB 3.24Å; F201-Y205 WeakPolarHBondContact O-CB 3.25Å; F201-Y205 PolarHBondContact O-N 3.03Å
202	E	52.5	Low	55	Low	75 Å²	75	105.5 Å²	105.5	35%	0.35	49%	0.489	S	S	.	.	H	α-helix	trans	-58	-43.7	178.1	-80.6	-170.9	179.8	0	0	111.4	R194 D198 E199 Y205 N206	R194-E202 IonicContact NH1-OE1 2.96Å; D198-E202 PolarHBondContact O-N 3.17Å; E199-E202 PolarHBondContact O-N 3Å; E202-Y205 PolarHBondContact O-N 3.2Å; E202-N206 VanDerWaalsContact O-CB 3.26Å; E202-N206 WeakPolarHBondContact O-CB 3.36Å; E202-N206 PolarHBondContact O-N 2.98Å; E202-N206 PolarHBondContact O-ND2 3.46Å
203	Q	58.7	Low	57	Low	120 Å²	120	99.6 Å²	99.6	56%	0.561	46%	0.458	S	S	*	.	H	α-helix	trans	-65.9	-46.1	-179.4	-167.3	173	-1.8	0	0	111.9	E199 F201 Y205 N206 E207	E199-Q203 WeakPolarHBondContact O-CB 3.49Å; E199-Q203 PolarHBondContact O-N 3.17Å; F201-Q203 VanDerWaalsContact C-N 3.31Å; F201-Q203 PolarHBondContact O-N 3.47Å; Q203-Y205 VanDerWaalsContact C-N 3.35Å; Q203-Y205 PolarHBondContact O-N 3.06Å; Q203-N206 PolarHBondContact O-N 3.23Å; Q203-E207 WeakPolarHBondContact O-CG 3.45Å; Q203-E207 PolarHBondContact O-N 3.09Å
204	K	58.2	Low	59	Low	128 Å²	128	95.3 Å²	95.3	56%	0.557	44%	0.442	S	S	*	.	H	α-helix	trans	-61.4	-42.7	174.8	-77.4	174.4	-176.4	164.8	0	111.9	D200 F201 E207 Q208	D200-K204 WeakPolarHBondContact O-CB 3.28Å; D200-K204 WeakPolarHBondContact O-CG 3.32Å; D200-K204 PolarHBondContact O-N 3.11Å; D200-K204 VanDerWaalsContact O-N 3.16Å; F201-K204 PolarHBondContact O-N 2.9Å; K204-E207 PolarHBondContact O-N 2.79Å; K204-Q208 WeakPolarHBondContact O-CG 3.33Å; K204-Q208 PolarHBondContact O-N 3.02Å
205	Y	56.2	Low	60.7	Low	37 Å²	37	95 Å²	95	15%	0.145	45%	0.45	C	S	.	.	H	α-helix	trans	-62.4	-46.3	177.2	178.4	-115.7	0	0	0	111	E80 P92 F201 E202 Q203 E207 Q208 L209	E80-Y205 WeakPolarHBondContact OE1-CE1 3.3Å; E80-Y205 VanDerWaalsContact OE1-CZ 3.32Å; E80-Y205 PolarHBondContact OE1-OH 3.07Å; P92-Y205 HydrophobicContact CB-CE2 4.33Å; P92-Y205 HydrophobicContact CG-CE1 4.16Å; P92-Y205 HydrophobicContact CG-CE2 4.11Å; F201-Y205 VanDerWaalsContact O-CB 3.24Å; F201-Y205 WeakPolarHBondContact O-CB 3.25Å; F201-Y205 PolarHBondContact O-N 3.03Å; E202-Y205 PolarHBondContact O-N 3.2Å; Q203-Y205 VanDerWaalsContact C-N 3.35Å; Q203-Y205 PolarHBondContact O-N 3.06Å; Y205-E207 PolarHBondContact O-N 3.25Å; Y205-Q208 WeakPolarHBondContact O-CB 3.27Å; Y205-Q208 PolarHBondContact O-N 3.45Å; Y205-L209 HydrophobicContact CD1-CD1 3.37Å; Y205-L209 HydrophobicContact CD1-CG 4.17Å; Y205-L209 HydrophobicContact CD2-CD1 4.35Å; Y205-L209 HydrophobicContact CD2-CG 4.28Å; Y205-L209 HydrophobicContact CE1-CD1 3.2Å; Y205-L209 HydrophobicContact CE1-CD2 4.29Å; Y205-L209 HydrophobicContact CE1-CG 3.96Å; Y205-L209 HydrophobicContact CE2-CD1 4.18Å; Y205-L209 HydrophobicContact CE2-CD2 4.17Å; Y205-L209 HydrophobicContact CE2-CG 4.04Å; Y205-L209 HydrophobicContact CG-CD1 3.97Å; Y205-L209 HydrophobicContact CG-CG 4.33Å; Y205-L209 WeakPolarHBondContact O-CB 3.43Å; Y205-L209 WeakPolarHBondContact O-CG 3.24Å; Y205-L209 PolarHBondContact O-N 2.79Å
206	N	62	Low	62.7	Low	22 Å²	22	89.8 Å²	89.8	12%	0.118	42%	0.423	C	S	.	.	H	α-helix	trans	-60.3	-39.7	176.1	-76.1	-32.4	0	0	0	113.2	N166 L170 E202 Q203 L209 K210	N166-N206 PolarHBondContact ND2-ND2 2.85Å; N166-N206 VanDerWaalsContact ND2-ND2 3.18Å; L170-N206 HydrophobicContact CD1-CB 3.82Å; L170-N206 HydrophobicContact CD2-CB 4.19Å; E202-N206 VanDerWaalsContact O-CB 3.26Å; E202-N206 WeakPolarHBondContact O-CB 3.36Å; E202-N206 PolarHBondContact O-N 2.98Å; E202-N206 PolarHBondContact O-ND2 3.46Å; Q203-N206 PolarHBondContact O-N 3.23Å; N206-L209 WeakPolarHBondContact O-CB 3.45Å; N206-L209 PolarHBondContact O-N 2.94Å; N206-K210 WeakPolarHBondContact O-CB 3.23Å; N206-K210 PolarHBondContact O-N 3.28Å
207	E	63.8	Low	64.8	Low	107 Å²	107	82.3 Å²	82.3	50%	0.5	39%	0.387	S	S	.	.	H	α-helix	trans	-66.8	-40.2	174.2	-74	-175.7	-177.7	0	0	112.7	Q203 K204 Y205 K210 K211	Q203-E207 WeakPolarHBondContact O-CG 3.45Å; Q203-E207 PolarHBondContact O-N 3.09Å; K204-E207 PolarHBondContact O-N 2.79Å; Y205-E207 PolarHBondContact O-N 3.25Å; E207-K210 PolarHBondContact O-N 3.48Å; E207-K211 WeakPolarHBondContact O-CG 3.26Å; E207-K211 PolarHBondContact O-N 3.04Å
208	Q	63.1	Low	66.9	Low	128 Å²	128	74.3 Å²	74.3	60%	0.598	35%	0.35	S	S	*	.	H	α-helix	trans	-65.6	-43.1	174.6	-72.3	179.3	8.1	0	0	111.5	K204 Y205 K210 K211 Y212	K204-Q208 WeakPolarHBondContact O-CG 3.33Å; K204-Q208 PolarHBondContact O-N 3.02Å; Y205-Q208 WeakPolarHBondContact O-CB 3.27Å; Y205-Q208 PolarHBondContact O-N 3.45Å; Q208-K210 PolarHBondContact O-N 3.12Å; Q208-K211 PolarHBondContact O-N 3.2Å; Q208-Y212 WeakPolarHBondContact O-CB 3.27Å; Q208-Y212 PolarHBondContact O-N 3.39Å
209	L	65.1	Low	69.2	Low	6 Å²	6	71.5 Å²	71.5	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-56.6	-48	174.5	-77.7	167.2	0	0	0	111.3	I76 L167 Y205 N206 K211 Y212 L213	I76-L209 HydrophobicContact CB-CD2 4.36Å; I76-L209 HydrophobicContact CD1-CD2 3.13Å; I76-L209 HydrophobicContact CG1-CD2 4.26Å; I76-L209 HydrophobicContact CG2-CD2 4.06Å; L167-L209 HydrophobicContact CD2-CB 4.28Å; L167-L209 HydrophobicContact CD2-CD1 3.79Å; L167-L209 HydrophobicContact CD2-CD2 4.44Å; L167-L209 HydrophobicContact CD2-CG 4.44Å; Y205-L209 HydrophobicContact CD1-CD1 3.37Å; Y205-L209 HydrophobicContact CD1-CG 4.17Å; Y205-L209 HydrophobicContact CD2-CD1 4.35Å; Y205-L209 HydrophobicContact CD2-CG 4.28Å; Y205-L209 HydrophobicContact CE1-CD1 3.2Å; Y205-L209 HydrophobicContact CE1-CD2 4.29Å; Y205-L209 HydrophobicContact CE1-CG 3.96Å; Y205-L209 HydrophobicContact CE2-CD1 4.18Å; Y205-L209 HydrophobicContact CE2-CD2 4.17Å; Y205-L209 HydrophobicContact CE2-CG 4.04Å; Y205-L209 HydrophobicContact CG-CD1 3.97Å; Y205-L209 HydrophobicContact CG-CG 4.33Å; Y205-L209 WeakPolarHBondContact O-CB 3.43Å; Y205-L209 WeakPolarHBondContact O-CG 3.24Å; Y205-L209 PolarHBondContact O-N 2.79Å; N206-L209 WeakPolarHBondContact O-CB 3.45Å; N206-L209 PolarHBondContact O-N 2.94Å; L209-K211 VanDerWaalsContact C-N 3.34Å; L209-K211 PolarHBondContact O-N 3.32Å; L209-Y212 WeakPolarHBondContact O-CB 3.45Å; L209-Y212 PolarHBondContact O-N 3.43Å; L209-Y212 VanDerWaalsContact O-N 3.09Å; L209-L213 WeakPolarHBondContact O-CB 3.48Å; L209-L213 VanDerWaalsContact O-CG 3.25Å; L209-L213 WeakPolarHBondContact O-CG 3.35Å; L209-L213 PolarHBondContact O-N 3.47Å
210	K	69	Low	71.3	Confident	90 Å²	90	66 Å²	66	39%	0.391	31%	0.31	S	S	.	.	H	α-helix	trans	-58.3	-46	178	-174.1	172	-179.9	158.7	0	111.9	L170 N206 E207 Q208 Y212 L213 D214	L170-K210 HydrophobicContact CD2-CD 4.38Å; L170-K210 WeakPolarHBondContact O-CE 3.31Å; L170-K210 PolarHBondContact O-NZ 3.08Å; N206-K210 WeakPolarHBondContact O-CB 3.23Å; N206-K210 PolarHBondContact O-N 3.28Å; E207-K210 PolarHBondContact O-N 3.48Å; Q208-K210 PolarHBondContact O-N 3.12Å; K210-Y212 VanDerWaalsContact C-N 3.29Å; K210-Y212 PolarHBondContact O-N 3.41Å; K210-L213 PolarHBondContact O-N 3.16Å; K210-D214 PolarHBondContact O-N 2.97Å
211	K	70	Confident	73.3	Confident	156 Å²	156	61.6 Å²	61.6	68%	0.678	29%	0.286	S	S	*	.	H	α-helix	trans	-61.8	-36.7	175.3	-71.6	171.4	-180	168.5	0	112.5	E207 Q208 L209	E207-K211 WeakPolarHBondContact O-CG 3.26Å; E207-K211 PolarHBondContact O-N 3.04Å; Q208-K211 PolarHBondContact O-N 3.2Å; L209-K211 VanDerWaalsContact C-N 3.34Å; L209-K211 PolarHBondContact O-N 3.32Å
212	Y	71.4	Confident	75.4	Confident	67 Å²	67	56.4 Å²	56.4	26%	0.263	26%	0.263	S	S	.	.	H	α-helix	trans	-69.7	-42	178.2	-162.9	-92.7	0	0	0	111.5	P52 I76 Q208 L209 K210 R289	P52-Y212 HydrophobicContact CB-CD1 3.58Å; P52-Y212 HydrophobicContact CB-CD2 4.29Å; P52-Y212 HydrophobicContact CB-CE1 3.09Å; P52-Y212 HydrophobicContact CB-CE2 3.88Å; P52-Y212 HydrophobicContact CB-CG 4.17Å; P52-Y212 HydrophobicContact CG-CD1 4.32Å; P52-Y212 HydrophobicContact CG-CE1 4.25Å; P52-Y212 VanDerWaalsContact CG-O 3.31Å; P52-Y212 WeakPolarHBondContact CG-O 3.24Å; I76-Y212 HydrophobicContact CG2-CD1 3.28Å; I76-Y212 HydrophobicContact CG2-CE1 3.4Å; I76-Y212 VanDerWaalsContact CG2-CE1 3.4Å; I76-Y212 HydrophobicContact CG2-CG 3.99Å; I76-Y212 PolarHBondContact O-OH 2.95Å; Q208-Y212 WeakPolarHBondContact O-CB 3.27Å; Q208-Y212 PolarHBondContact O-N 3.39Å; L209-Y212 WeakPolarHBondContact O-CB 3.45Å; L209-Y212 PolarHBondContact O-N 3.43Å; L209-Y212 VanDerWaalsContact O-N 3.09Å; K210-Y212 VanDerWaalsContact C-N 3.29Å; K210-Y212 PolarHBondContact O-N 3.41Å; Y212-R289 PolarHBondContact OH-NH1 3.35Å
213	L	74.8	Confident	77.5	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-77.7	-25	-175.3	-67.4	176	0	0	0	113.8	F54 L167 L171 L209 K210 N215 A216 I251 C253	F54-L213 HydrophobicContact CB-CD2 3.89Å; F54-L213 HydrophobicContact CD2-CD2 4.48Å; F54-L213 HydrophobicContact CG-CD2 4.25Å; L167-L213 HydrophobicContact CD2-CD1 4.1Å; L171-L213 HydrophobicContact CD1-CB 4.09Å; L171-L213 HydrophobicContact CD1-CD1 3.96Å; L171-L213 HydrophobicContact CD2-CB 4.01Å; L209-L213 WeakPolarHBondContact O-CB 3.48Å; L209-L213 VanDerWaalsContact O-CG 3.25Å; L209-L213 WeakPolarHBondContact O-CG 3.35Å; L209-L213 PolarHBondContact O-N 3.47Å; K210-L213 PolarHBondContact O-N 3.16Å; L213-N215 PolarHBondContact O-N 2.95Å; L213-A216 HydrophobicContact CD2-CB 4.08Å; L213-A216 PolarHBondContact O-N 3.22Å; L213-I251 HydrophobicContact CD1-CD1 4.27Å; L213-I251 HydrophobicContact CD2-CD1 3.67Å; L213-I251 HydrophobicContact CG-CD1 4.49Å; L213-C253 PolarHBondContact O-SG 3.21Å
214	D	74.6	Confident	79.3	Confident	100 Å²	100	47.2 Å²	47.2	54%	0.535	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.6	179	-88.9	-8.5	0	0	0	113.5	K210	K210-D214 PolarHBondContact O-N 2.97Å
215	N	78.9	Confident	81	Confident	123 Å²	123	43 Å²	43	66%	0.658	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.1	16.4	177.5	-75.7	-36.7	0	0	0	113.3	L213	L213-N215 PolarHBondContact O-N 2.95Å
216	A	87.4	Confident	82.7	Confident	5 Å²	5	41.2 Å²	41.2	4%	0.041	20%	0.196	C	C	.	.			trans	-81	148.2	-179.3	0	0	0	0	0	112.4	P52 L213	P52-A216 HydrophobicContact CB-CB 4.16Å; P52-A216 HydrophobicContact CG-CB 4Å; P52-A216 VanDerWaalsContact O-CA 3.27Å; P52-A216 WeakPolarHBondContact O-CA 3.34Å; L213-A216 HydrophobicContact CD2-CB 4.08Å; L213-A216 PolarHBondContact O-N 3.22Å
217	E	92.5	Very high	83.9	Confident	13 Å²	13	44.1 Å²	44.1	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	168.2	162.6	-59.9	177.3	175.6	0	0	108.4	K51 P52 I53 F54 P242 P254 R256	K51-E217 HydrophobicContact CD-CG 3.95Å; K51-E217 WeakPolarHBondContact CD-OE1 3.43Å; K51-E217 IonicContact NZ-OE1 2.98Å; K51-E217 PolarHBondContact NZ-OE1 3.14Å; P52-E217 PolarHBondContact O-N 2.81Å; I53-E217 CarbonylContact C-O 3.59Å; I53-E217 VanDerWaalsContact CA-O 3.27Å; I53-E217 WeakPolarHBondContact CA-O 3.47Å; I53-E217 HydrophobicContact CD1-CB 3.7Å; F54-E217 PolarHBondContact N-O 3.21Å; E217-P242 VanDerWaalsContact CD-CG 3.43Å; E217-P242 HydrophobicContact CG-CB 4.29Å; E217-P242 HydrophobicContact CG-CG 4.1Å; E217-P242 WeakPolarHBondContact OE1-CG 3.39Å; E217-P254 CarbonylContact C-O 3.51Å; E217-P254 WeakPolarHBondContact CA-O 3.48Å; E217-R256 HydrophobicContact CB-CB 3.93Å; E217-R256 IonicContact OE1-NE 3.47Å; E217-R256 IonicContact OE1-NH2 2.75Å; E217-R256 PolarHBondContact OE1-NH2 3.44Å; E217-R256 WeakPolarHBondContact OE2-CB 3.4Å; E217-R256 WeakPolarHBondContact OE2-CG 3.42Å; E217-R256 IonicContact OE2-CZ 3.54Å; E217-R256 IonicContact OE2-NE 3.56Å; E217-R256 PolarHBondContact OE2-NE 3.3Å; E217-R256 IonicContact OE2-NH2 3.87Å
218	T	93.4	Very high	85	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.9	-175.2	-56	0	0	0	0	111.8	F54 I220 C253 P254 V255 R256 Y257	F54-T218 HydrophobicContact CD1-CG2 4.25Å; F54-T218 CarbonylContact O-C 3.53Å; F54-T218 VanDerWaalsContact O-CA 3.27Å; F54-T218 WeakPolarHBondContact O-CA 3.47Å; F54-T218 WeakPolarHBondContact O-CG2 3.27Å; T218-I220 HydrophobicContact CG2-CD1 3.54Å; T218-I220 HydrophobicContact CG2-CG1 4.13Å; T218-C253 WeakPolarHBondContact OG1-CB 3.3Å; T218-C253 PolarHBondContact OG1-O 3.27Å; T218-P254 PolarHBondContact N-O 2.97Å; T218-V255 HydrophobicContact CG2-CG2 4.23Å; T218-V255 CarbonylContact O-C 3.57Å; T218-V255 WeakPolarHBondContact O-CA 3.18Å; T218-R256 PolarHBondContact O-N 2.91Å; T218-Y257 PolarHBondContact O-N 2.88Å
219	G	96.1	Very high	86.3	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.1	165.4	0	0	0	0	0	109.6	F54 C55 E56 Y257	F54-G219 PolarHBondContact O-N 3.37Å; C55-G219 CarbonylContact C-O 3.52Å; C55-G219 VanDerWaalsContact CA-O 3.24Å; C55-G219 WeakPolarHBondContact CA-O 3.44Å; E56-G219 PolarHBondContact N-O 3.34Å; G219-Y257 CarbonylContact C-O 3.55Å; G219-Y257 WeakPolarHBondContact CA-O 3.19Å
220	I	97.7	Very high	87.3	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.4	177.2	-57.3	-63.2	0	0	0	109.1	E56 L58 T218 L222 L248 V255 Y257 L258 F259	E56-I220 HydrophobicContact CB-CD1 4.13Å; E56-I220 CarbonylContact O-C 3.57Å; E56-I220 WeakPolarHBondContact OE2-CD1 3.3Å; L58-I220 HydrophobicContact CD1-CG2 4.21Å; T218-I220 HydrophobicContact CG2-CD1 3.54Å; T218-I220 HydrophobicContact CG2-CG1 4.13Å; I220-L222 HydrophobicContact CG2-CD2 3.82Å; I220-L222 HydrophobicContact CG2-CG 4Å; I220-L248 HydrophobicContact CG1-CD2 4.32Å; I220-L248 HydrophobicContact CG1-CG 4.26Å; I220-L248 HydrophobicContact CG2-CD1 4.45Å; I220-V255 HydrophobicContact CG1-CG1 4.06Å; I220-V255 HydrophobicContact CG1-CG2 4.02Å; I220-Y257 PolarHBondContact N-O 3.16Å; I220-L258 HydrophobicContact CB-CD1 3.76Å; I220-L258 HydrophobicContact CG2-CD1 3.75Å; I220-L258 CarbonylContact O-C 3.57Å; I220-L258 WeakPolarHBondContact O-CA 3.41Å; I220-F259 PolarHBondContact O-N 3.32Å
221	I	98.6	Very high	88.3	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.4	174.2	-61.8	166.4	0	0	0	107.8	C55 E56 M57 L58 W75 I223 F259 M279	C55-I221 WeakPolarHBondContact SG-CD1 3.38Å; E56-I221 PolarHBondContact O-N 3.49Å; M57-I221 CarbonylContact C-O 3.57Å; M57-I221 WeakPolarHBondContact CA-O 3.33Å; M57-I221 HydrophobicContact CB-CB 4.01Å; M57-I221 HydrophobicContact CB-CG2 4.26Å; M57-I221 HydrophobicContact CG-CB 4.09Å; M57-I221 HydrophobicContact CG-CG2 3.79Å; M57-I221 HydrophobicContact SD-CG2 4.18Å; L58-I221 PolarHBondContact N-O 2.96Å; W75-I221 HydrophobicContact CZ3-CD1 4.5Å; I221-I223 HydrophobicContact CG2-CG2 3.85Å; I221-F259 CarbonylContact C-O 3.55Å; I221-F259 WeakPolarHBondContact CA-O 3.36Å; I221-F259 HydrophobicContact CG1-CB 4.35Å; I221-F259 HydrophobicContact CG2-CD1 4.07Å; I221-M279 HydrophobicContact CD1-CB 3.86Å; I221-M279 HydrophobicContact CD1-CG 3.74Å; I221-M279 HydrophobicContact CG1-CB 4.43Å; I221-M279 HydrophobicContact CG1-CG 3.95Å
222	L	98.5	Very high	89.4	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.7	176	-60.9	-176.6	0	0	0	109.1	L58 W69 F123 L152 I220 L258 F259 V260 L261	L58-L222 HydrophobicContact CB-CD2 3.9Å; L58-L222 HydrophobicContact CD1-CD2 4.21Å; L58-L222 HydrophobicContact CG-CD2 4.46Å; W69-L222 HydrophobicContact CD2-CD2 4.26Å; W69-L222 HydrophobicContact CE3-CB 4.32Å; W69-L222 HydrophobicContact CE3-CD2 3.96Å; W69-L222 HydrophobicContact CH2-CB 3.84Å; W69-L222 HydrophobicContact CZ3-CB 3.72Å; W69-L222 HydrophobicContact CZ3-CD2 4.23Å; W69-L222 HydrophobicContact CZ3-CG 4.48Å; F123-L222 HydrophobicContact CZ-CD1 4.18Å; L152-L222 HydrophobicContact CD2-CD1 4.3Å; I220-L222 HydrophobicContact CG2-CD2 3.82Å; I220-L222 HydrophobicContact CG2-CG 4Å; L222-L258 HydrophobicContact CD1-CD1 4.05Å; L222-L258 HydrophobicContact CG-CD1 4.04Å; L222-F259 PolarHBondContact N-O 2.76Å; L222-V260 HydrophobicContact CB-CG1 4.45Å; L222-V260 HydrophobicContact CB-CG2 4.41Å; L222-V260 HydrophobicContact CD1-CG2 4.43Å; L222-V260 CarbonylContact O-C 3.53Å; L222-V260 WeakPolarHBondContact O-CA 3.48Å; L222-L261 PolarHBondContact O-N 3.27Å
223	I	97.9	Very high	90.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.2	177.5	61.9	171.5	0	0	0	112.2	M57 L58 A59 L60 W69 I221 L261 L272 F273	M57-I223 HydrophobicContact CE-CD1 4.12Å; M57-I223 HydrophobicContact CG-CD1 4.13Å; M57-I223 HydrophobicContact CG-CG1 4.24Å; M57-I223 HydrophobicContact SD-CD1 3.73Å; M57-I223 HydrophobicContact SD-CG1 4.42Å; L58-I223 PolarHBondContact O-N 3.46Å; A59-I223 VanDerWaalsContact CA-O 3.31Å; A59-I223 WeakPolarHBondContact CA-O 3.15Å; A59-I223 HydrophobicContact CB-CD1 4.4Å; A59-I223 HydrophobicContact CB-CG1 4.02Å; L60-I223 PolarHBondContact N-O 3Å; L60-I223 VanDerWaalsContact N-O 3.09Å; W69-I223 VanDerWaalsContact CZ3-O 3.23Å; W69-I223 WeakPolarHBondContact CZ3-O 3.45Å; I221-I223 HydrophobicContact CG2-CG2 3.85Å; I223-L261 WeakPolarHBondContact CA-O 3.27Å; I223-L261 HydrophobicContact CG2-CB 4.2Å; I223-L272 HydrophobicContact CB-CD1 3.93Å; I223-L272 HydrophobicContact CB-CD2 4.33Å; I223-L272 HydrophobicContact CB-CG 4Å; I223-L272 HydrophobicContact CD1-CG 4.42Å; I223-L272 HydrophobicContact CG2-CD1 4.29Å; I223-F273 HydrophobicContact CD1-CD1 3.68Å; I223-F273 HydrophobicContact CD1-CD2 4.41Å; I223-F273 HydrophobicContact CD1-CE1 3.93Å; I223-F273 HydrophobicContact CD1-CG 3.95Å; I223-F273 HydrophobicContact CD1-CZ 4.37Å
224	A	96.1	Very high	91.6	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.017	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	151.5	176.3	0	0	0	0	0	113.2	L60 W69 I226 L261 L262 T263	L60-A224 HydrophobicContact CB-CB 3.49Å; L60-A224 VanDerWaalsContact CB-CB 3.49Å; L60-A224 HydrophobicContact CD2-CB 3.78Å; L60-A224 HydrophobicContact CG-CB 4.34Å; W69-A224 HydrophobicContact CH2-CB 3.73Å; W69-A224 HydrophobicContact CZ3-CB 4.15Å; A224-I226 HydrophobicContact CB-CD1 3.85Å; A224-I226 HydrophobicContact CB-CG1 4.26Å; A224-L261 PolarHBondContact N-O 3.07Å; A224-L262 HydrophobicContact CB-CD2 3.84Å; A224-L262 CarbonylContact O-C 3.44Å; A224-L262 WeakPolarHBondContact O-CA 3.44Å; A224-T263 PolarHBondContact O-N 2.83Å; A224-T263 PolarHBondContact O-OG1 2.68Å
225	Q	94	Very high	92.7	Very high	38 Å²	38	25.1 Å²	25.1	18%	0.178	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.6	159.5	-57.4	-166.8	-86.6	0	0	108.6	T263 S264 F265 H267 L272	Q225-T263 CarbonylContact C-O 3.55Å; Q225-T263 WeakPolarHBondContact CA-O 3.49Å; Q225-S264 PolarHBondContact NE2-O 3.49Å; Q225-F265 VanDerWaalsContact C-CE2 3.49Å; Q225-F265 HydrophobicContact CB-CD1 4.16Å; Q225-F265 HydrophobicContact CB-CD2 4.07Å; Q225-F265 HydrophobicContact CB-CE1 3.92Å; Q225-F265 HydrophobicContact CB-CE2 3.78Å; Q225-F265 HydrophobicContact CB-CG 4.26Å; Q225-F265 HydrophobicContact CB-CZ 3.72Å; Q225-F265 WeakPolarHBondContact O-CE2 3.33Å; Q225-H267 PolarHBondContact NE2-O 3.34Å; Q225-L272 HydrophobicContact CG-CD2 3.66Å
226	I	91.6	Very high	93.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.			trans	-119	122.8	-173.1	-58.7	-62.3	0	0	0	109.2	L60 F147 T151 A224 V228 L229 L262 T263	L60-I226 HydrophobicContact CD2-CD1 3.65Å; F147-I226 HydrophobicContact CD1-CG2 3.88Å; F147-I226 HydrophobicContact CE1-CD1 4.45Å; F147-I226 HydrophobicContact CE1-CG2 3.63Å; T151-I226 HydrophobicContact CG2-CD1 3.84Å; A224-I226 HydrophobicContact CB-CD1 3.85Å; A224-I226 HydrophobicContact CB-CG1 4.26Å; I226-V228 VanDerWaalsContact C-N 3.27Å; I226-V228 HydrophobicContact CG2-CG2 3.52Å; I226-V228 PolarHBondContact O-N 2.86Å; I226-L229 HydrophobicContact CB-CB 4.3Å; I226-L229 HydrophobicContact CB-CD1 3.74Å; I226-L229 HydrophobicContact CB-CG 3.82Å; I226-L229 HydrophobicContact CG1-CD1 4.06Å; I226-L229 HydrophobicContact CG2-CD1 4.24Å; I226-L229 HydrophobicContact CG2-CG 3.87Å; I226-L229 PolarHBondContact O-N 3.16Å; I226-L229 VanDerWaalsContact O-N 3.14Å; I226-L262 HydrophobicContact CG1-CB 4.11Å; I226-L262 HydrophobicContact CG1-CD2 4.35Å; I226-T263 PolarHBondContact N-O 2.74Å
227	P	86.9	Confident	94.2	Very high	83 Å²	83	19.1 Å²	19.1	54%	0.539	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.4	-171.6	-20.7	31.5	0	0	0	113.9	L229 F265	P227-L229 VanDerWaalsContact C-N 3.29Å; P227-F265 HydrophobicContact CB-CD2 4.31Å; P227-F265 HydrophobicContact CB-CE2 4.09Å; P227-F265 HydrophobicContact CG-CD2 4.23Å; P227-F265 HydrophobicContact CG-CE2 3.53Å; P227-F265 HydrophobicContact CG-CZ 4.24Å
228	V	87.9	Confident	94.4	Very high	66 Å²	66	19.1 Å²	19.1	40%	0.4	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.5	-179.5	-62.7	0	0	0	0	113	E144 F147 I226	E144-V228 HydrophobicContact CG-CB 4.49Å; E144-V228 HydrophobicContact CG-CG2 4.32Å; F147-V228 HydrophobicContact CB-CG2 4.22Å; F147-V228 HydrophobicContact CD1-CG2 3.62Å; F147-V228 HydrophobicContact CE1-CG2 4.2Å; F147-V228 HydrophobicContact CG-CG2 3.92Å; I226-V228 VanDerWaalsContact C-N 3.27Å; I226-V228 HydrophobicContact CG2-CG2 3.52Å; I226-V228 PolarHBondContact O-N 2.86Å
229	L	89.7	Confident	94.6	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	11%	0.106	C	C	.	.			trans	-85.4	139.3	178.3	-69.5	-177.2	0	0	0	110.8	E144 I148 I226 P227 L233 L262 S264	E144-L229 HydrophobicContact CG-CD2 4.46Å; I148-L229 HydrophobicContact CD1-CD2 3.9Å; I226-L229 HydrophobicContact CB-CB 4.3Å; I226-L229 HydrophobicContact CB-CD1 3.74Å; I226-L229 HydrophobicContact CB-CG 3.82Å; I226-L229 HydrophobicContact CG1-CD1 4.06Å; I226-L229 HydrophobicContact CG2-CD1 4.24Å; I226-L229 HydrophobicContact CG2-CG 3.87Å; I226-L229 PolarHBondContact O-N 3.16Å; I226-L229 VanDerWaalsContact O-N 3.14Å; P227-L229 VanDerWaalsContact C-N 3.29Å; L229-L233 HydrophobicContact CD1-CD1 3.94Å; L229-L233 HydrophobicContact CD1-CG 4.21Å; L229-L233 HydrophobicContact CD2-CD1 3.65Å; L229-L233 HydrophobicContact CD2-CG 4.24Å; L229-L233 HydrophobicContact CG-CD1 4.48Å; L229-L262 HydrophobicContact CD1-CB 3.62Å; L229-S264 WeakPolarHBondContact O-CB 3.48Å; L229-S264 PolarHBondContact O-OG 3.35Å
230	N	86.9	Confident	94.6	Very high	115 Å²	115	22.5 Å²	22.5	62%	0.615	13%	0.125	S	C	*	.	S	Bend	trans	-110.2	7.9	170.7	64.2	-3.7	0	0	0	112.7
231	K	88.7	Confident	94.4	Very high	65 Å²	65	29.2 Å²	29.2	28%	0.283	16%	0.156	S	C	.	.	S	Bend	trans	-155	169.6	-178.9	65.2	-175	176.2	-174.1	0	110.9	D10 A139	D10-K231 WeakPolarHBondContact OD2-CA 3.43Å; A139-K231 WeakPolarHBondContact O-CE 3.47Å; A139-K231 PolarHBondContact O-NZ 3.45Å
232	T	93.2	Very high	94.2	Very high	4 Å²	4	31 Å²	31	3%	0.025	17%	0.168	C	C	.	.			trans	-82	134.4	172.7	-53.9	0	0	0	0	112.3	D10 L12 L261 L262 T263 H267	D10-T232 WeakPolarHBondContact OD1-CB 3.15Å; D10-T232 PolarHBondContact OD1-OG1 2.62Å; D10-T232 PolarHBondContact OD2-N 3.48Å; D10-T232 VanDerWaalsContact OD2-N 3.17Å; D10-T232 PolarHBondContact OD2-OG1 3.09Å; L12-T232 HydrophobicContact CD1-CG2 4.05Å; L12-T232 WeakPolarHBondContact CD1-OG1 3.27Å; L12-T232 HydrophobicContact CD2-CG2 4.39Å; L12-T232 HydrophobicContact CG-CG2 3.92Å; L12-T232 WeakPolarHBondContact CG-OG1 3.42Å; T232-L261 HydrophobicContact CG2-CD1 3.52Å; T232-L262 CarbonylContact C-O 3.58Å; T232-L262 WeakPolarHBondContact CA-O 3.45Å; T232-T263 HydrophobicContact CG2-CG2 3.73Å; T232-H267 PolarHBondContact OG1-NE2 2.87Å
233	L	95.4	Very high	94	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.9	168.3	-58.7	176.7	0	0	0	109	W134 A139 V140 I148 L229 L261 L262	W134-L233 HydrophobicContact CD2-CD1 4.36Å; W134-L233 HydrophobicContact CE3-CD1 4.24Å; W134-L233 HydrophobicContact CH2-CB 4.26Å; W134-L233 HydrophobicContact CZ2-CB 3.86Å; W134-L233 HydrophobicContact CZ3-CD1 4.42Å; A139-L233 HydrophobicContact CB-CD2 3.7Å; V140-L233 HydrophobicContact CG1-CD1 3.45Å; V140-L233 VanDerWaalsContact CG1-CD1 3.45Å; V140-L233 HydrophobicContact CG1-CD2 4.28Å; I148-L233 HydrophobicContact CD1-CD1 3.8Å; L229-L233 HydrophobicContact CD1-CD1 3.94Å; L229-L233 HydrophobicContact CD1-CG 4.21Å; L229-L233 HydrophobicContact CD2-CD1 3.65Å; L229-L233 HydrophobicContact CD2-CG 4.24Å; L229-L233 HydrophobicContact CG-CD1 4.48Å; L233-L261 WeakPolarHBondContact O-CA 3.43Å; L233-L262 HydrophobicContact CB-CB 4.32Å; L233-L262 PolarHBondContact N-O 3.39Å; L233-L262 PolarHBondContact O-N 3.22Å
234	S	96.5	Very high	93.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.4	171.6	56.4	0	0	0	0	110.8	C108 G112 S113 W134 V260	C108-S234 WeakPolarHBondContact CA-OG 3.31Å; C108-S234 PolarHBondContact O-OG 3.09Å; G112-S234 VanDerWaalsContact CA-OG 3.25Å; G112-S234 WeakPolarHBondContact CA-OG 3.36Å; S113-S234 PolarHBondContact N-O 2.71Å; W134-S234 PolarHBondContact NE1-O 2.99Å; S234-V260 CarbonylContact C-O 3.58Å; S234-V260 VanDerWaalsContact CA-O 3.23Å; S234-V260 WeakPolarHBondContact CA-O 3.23Å
235	A	98.3	Very high	93.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.9	172.1	0	0	0	0	0	110.3	S113 L115 I130 W134 F259 V260	S113-A235 CarbonylContact O-C 3.41Å; S113-A235 VanDerWaalsContact O-CA 3.23Å; S113-A235 WeakPolarHBondContact O-CA 3.33Å; L115-A235 HydrophobicContact CD1-CB 4.3Å; I130-A235 HydrophobicContact CG2-CB 3.85Å; W134-A235 HydrophobicContact CH2-CB 4.5Å; W134-A235 HydrophobicContact CZ2-CB 3.66Å; A235-F259 CarbonylContact O-C 3.46Å; A235-F259 WeakPolarHBondContact O-CA 3.12Å; A235-F259 WeakPolarHBondContact O-CD2 3.15Å; A235-V260 HydrophobicContact CB-CB 4.44Å; A235-V260 PolarHBondContact N-O 3.35Å; A235-V260 PolarHBondContact O-N 3.26Å
236	F	98.6	Very high	92.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.8	168	-177.4	-90.8	0	0	0	109.6	L109 S113 L114 L115 L116 Y257 F259 M279 M283 A292 L301	L109-F236 HydrophobicContact CD2-CB 3.62Å; L109-F236 HydrophobicContact CD2-CD2 3.95Å; L109-F236 HydrophobicContact CD2-CG 3.96Å; S113-F236 PolarHBondContact O-N 3.4Å; L114-F236 HydrophobicContact CD1-CB 4.02Å; L114-F236 HydrophobicContact CD1-CD1 3.63Å; L114-F236 HydrophobicContact CD1-CG 4.24Å; L115-F236 PolarHBondContact N-O 3.2Å; L116-F236 HydrophobicContact CD2-CD1 4.48Å; L116-F236 HydrophobicContact CD2-CE1 4.43Å; F236-Y257 HydrophobicContact CE1-CD1 4.27Å; F236-Y257 AromaticContact CZ-CD1 3.8Å; F236-Y257 HydrophobicContact CZ-CD1 3.8Å; F236-Y257 HydrophobicContact CZ-CE1 4.36Å; F236-F259 HydrophobicContact CB-CD2 4.34Å; F236-F259 HydrophobicContact CD2-CB 4.47Å; F236-F259 HydrophobicContact CD2-CD2 4.29Å; F236-M279 HydrophobicContact CD2-CE 3.81Å; F236-M279 HydrophobicContact CE2-CE 4.08Å; F236-M279 HydrophobicContact CE2-SD 4.35Å; F236-M283 HydrophobicContact CE2-CE 3.63Å; F236-M283 HydrophobicContact CZ-CE 4.08Å; F236-A292 HydrophobicContact CZ-CB 4.39Å; F236-L301 HydrophobicContact CB-CD2 4.48Å; F236-L301 HydrophobicContact CD1-CD2 3.59Å; F236-L301 HydrophobicContact CD2-CD2 4.27Å; F236-L301 HydrophobicContact CE1-CD1 4.36Å; F236-L301 HydrophobicContact CE1-CD2 3.76Å; F236-L301 HydrophobicContact CE2-CD2 4.4Å; F236-L301 HydrophobicContact CG-CD2 3.85Å; F236-L301 HydrophobicContact CZ-CD1 4.34Å; F236-L301 HydrophobicContact CZ-CD2 4.16Å
237	V	98.7	Very high	92.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.6	-177.9	-167.9	0	0	0	0	111	L115 V118 L126 I130 L239 Y257 L258	L115-V237 HydrophobicContact CB-CB 4.48Å; L115-V237 HydrophobicContact CB-CG1 4.11Å; L115-V237 HydrophobicContact CB-CG2 4.18Å; L115-V237 HydrophobicContact CD1-CG2 4.04Å; L115-V237 CarbonylContact O-C 3.55Å; L115-V237 VanDerWaalsContact O-CA 3.27Å; L115-V237 WeakPolarHBondContact O-CA 3.46Å; V118-V237 HydrophobicContact CB-CG1 4.09Å; V118-V237 HydrophobicContact CG2-CG1 3.86Å; L126-V237 HydrophobicContact CD1-CG1 3.91Å; I130-V237 HydrophobicContact CD1-CG2 3.96Å; I130-V237 HydrophobicContact CG1-CG2 3.98Å; V237-L239 HydrophobicContact CG1-CD2 4.34Å; V237-Y257 VanDerWaalsContact O-CA 3.32Å; V237-Y257 WeakPolarHBondContact O-CA 3.21Å; V237-L258 HydrophobicContact CB-CB 4.22Å; V237-L258 PolarHBondContact N-O 3.03Å; V237-L258 PolarHBondContact O-N 3.32Å
238	R	97.7	Very high	92.4	Very high	12 Å²	12	46 Å²	46	5%	0.045	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.9	165.2	179.3	177.8	77.1	-149.4	-1.8	109.2	L115 L116 N117 V118 Y257 A292 A293 A295	L115-R238 PolarHBondContact O-N 2.91Å; L116-R238 HydrophobicContact CD2-CB 3.89Å; N117-R238 WeakPolarHBondContact CA-O 3.46Å; N117-R238 PolarHBondContact N-O 3.03Å; N117-R238 PolarHBondContact ND2-NH2 3.02Å; N117-R238 PolarHBondContact OD1-NE 3.19Å; N117-R238 PolarHBondContact OD1-NH2 3.15Å; V118-R238 PolarHBondContact N-O 3.39Å; R238-Y257 HydrophobicContact CB-CD1 4.08Å; R238-Y257 HydrophobicContact CB-CE1 4.05Å; R238-Y257 HydrophobicContact CG-CD1 4.11Å; R238-Y257 HydrophobicContact CG-CE1 3.68Å; R238-A292 VanDerWaalsContact CD-O 3.22Å; R238-A292 WeakPolarHBondContact CD-O 3.32Å; R238-A292 PolarHBondContact NH1-O 3.25Å; R238-A293 VanDerWaalsContact NH1-C 3.28Å; R238-A293 PolarHBondContact NH1-O 3.22Å; R238-A293 VanDerWaalsContact NH1-O 3.13Å; R238-A295 PolarHBondContact NH1-O 2.97Å; R238-A295 PolarHBondContact NH2-O 2.79Å
239	L	98.2	Very high	92.3	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	144.5	173.7	-61.4	-179.3	0	0	0	111.3	V118 V120 L126 V237 E241 F245 V255 R256	V118-L239 HydrophobicContact CB-CD2 4Å; V118-L239 HydrophobicContact CG1-CD2 4.14Å; V118-L239 CarbonylContact O-C 3.54Å; V118-L239 VanDerWaalsContact O-CA 3.29Å; V118-L239 WeakPolarHBondContact O-CA 3.38Å; V120-L239 HydrophobicContact CG2-CD2 3.83Å; L126-L239 HydrophobicContact CD1-CD2 4.2Å; L126-L239 HydrophobicContact CD2-CD2 4.49Å; V237-L239 HydrophobicContact CG1-CD2 4.34Å; L239-E241 VanDerWaalsContact C-N 3.35Å; L239-E241 WeakPolarHBondContact CB-O 3.37Å; L239-F245 HydrophobicContact CD1-CE2 3.65Å; L239-F245 HydrophobicContact CD1-CZ 3.79Å; L239-V255 WeakPolarHBondContact CD1-O 3.5Å; L239-R256 PolarHBondContact N-O 2.98Å; L239-R256 WeakPolarHBondContact O-CD 3.33Å; L239-R256 PolarHBondContact O-NH1 3.33Å
240	T	95.3	Very high	91.7	Very high	66 Å²	66	45 Å²	45	41%	0.405	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-43.2	175.2	-59.1	0	0	0	0	111.4	N117 V118 R256	N117-T240 WeakPolarHBondContact CA-OG1 3.37Å; N117-T240 WeakPolarHBondContact CB-OG1 3.37Å; N117-T240 PolarHBondContact O-OG1 2.97Å; V118-T240 PolarHBondContact O-N 3.26Å; T240-R256 PolarHBondContact O-NH1 3.36Å
241	E	94.2	Very high	91.3	Very high	143 Å²	143	39.8 Å²	39.8	67%	0.668	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.5	174.1	-65.5	-175.6	175.7	0	0	109.1	L239	L239-E241 VanDerWaalsContact C-N 3.35Å; L239-E241 WeakPolarHBondContact CB-O 3.37Å
242	P	94.1	Very high	90.7	Very high	39 Å²	39	40.5 Å²	40.5	25%	0.253	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	141.1	175.9	-13.7	28.8	0	0	0	109.9	E217 P254 V255	E217-P242 VanDerWaalsContact CD-CG 3.43Å; E217-P242 HydrophobicContact CG-CB 4.29Å; E217-P242 HydrophobicContact CG-CG 4.1Å; E217-P242 WeakPolarHBondContact OE1-CG 3.39Å; P242-P254 HydrophobicContact CB-CB 3.56Å; P242-P254 HydrophobicContact CB-CG 3.7Å; P242-V255 CarbonylContact C-O 3.57Å; P242-V255 VanDerWaalsContact CA-O 3.24Å; P242-V255 WeakPolarHBondContact CA-O 3.44Å
243	R	93.6	Very high	90.4	Very high	95 Å²	95	40.8 Å²	40.8	36%	0.358	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140	-178.7	-174.6	162.3	-99.3	158.3	-6.4	112.4	V120 F245 V255	V120-R243 VanDerWaalsContact O-CD 3.23Å; V120-R243 WeakPolarHBondContact O-CD 3.01Å; V120-R243 PolarHBondContact O-NH1 3.06Å; R243-F245 HydrophobicContact CB-CE2 4.31Å; R243-F245 HydrophobicContact CB-CZ 4.11Å; R243-F245 HydrophobicContact CG-CE1 4.15Å; R243-F245 HydrophobicContact CG-CZ 4.25Å; R243-F245 PolarHBondContact O-N 3.09Å; R243-V255 PolarHBondContact N-O 2.94Å; R243-V255 WeakPolarHBondContact O-CB 3.11Å; R243-V255 PolarHBondContact O-N 2.77Å
244	N	90.7	Very high	90.3	Very high	97 Å²	97	42.3 Å²	42.3	52%	0.519	23%	0.226	S	C	.	.			trans	-81.8	108.8	171	-76.6	-31	0	0	0	109.1	P252 C253 P254	N244-P252 PolarHBondContact OD1-O 3.14Å; N244-C253 PolarHBondContact OD1-O 2.92Å; N244-P254 WeakPolarHBondContact OD1-CA 3.33Å; N244-P254 VanDerWaalsContact OD1-N 3.09Å
245	F	90.9	Very high	90.2	Very high	15 Å²	15	42.3 Å²	42.3	7%	0.066	23%	0.226	C	C	.	.			trans	-90.5	125.7	169.4	-60	-71.8	0	0	0	109	V120 T122 F123 L126 L239 R243 Y247 L248 V255	V120-F245 HydrophobicContact CG2-CZ 4.17Å; T122-F245 VanDerWaalsContact C-CE1 3.45Å; T122-F245 WeakPolarHBondContact O-CE1 3.38Å; F123-F245 HydrophobicContact CB-CB 4.18Å; F123-F245 HydrophobicContact CB-CD1 3.94Å; F123-F245 HydrophobicContact CB-CG 4.12Å; L126-F245 HydrophobicContact CD2-CE2 4.21Å; L126-F245 HydrophobicContact CD2-CZ 4.2Å; L239-F245 HydrophobicContact CD1-CE2 3.65Å; L239-F245 HydrophobicContact CD1-CZ 3.79Å; R243-F245 HydrophobicContact CB-CE2 4.31Å; R243-F245 HydrophobicContact CB-CZ 4.11Å; R243-F245 HydrophobicContact CG-CE1 4.15Å; R243-F245 HydrophobicContact CG-CZ 4.25Å; R243-F245 PolarHBondContact O-N 3.09Å; F245-Y247 PolarHBondContact O-N 3.19Å; F245-L248 HydrophobicContact CB-CB 3.78Å; F245-L248 HydrophobicContact CB-CD2 3.9Å; F245-L248 HydrophobicContact CD2-CD2 3.71Å; F245-L248 HydrophobicContact CG-CD2 4.1Å; F245-L248 PolarHBondContact O-N 3.45Å; F245-V255 HydrophobicContact CD2-CB 3.97Å; F245-V255 HydrophobicContact CD2-CG1 4.48Å; F245-V255 HydrophobicContact CD2-CG2 4.11Å; F245-V255 HydrophobicContact CE2-CB 4.08Å; F245-V255 HydrophobicContact CE2-CG1 4.37Å
246	A	82.2	Confident	90.1	Very high	79 Å²	79	44.5 Å²	44.5	65%	0.653	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	132.5	178.3	0	0	0	0	0	109.9	L248	A246-L248 PolarHBondContact O-N 2.62Å; A246-L248 VanDerWaalsContact O-N 3.16Å
247	Y	80.9	Confident	90.1	Very high	152 Å²	152	44.9 Å²	44.9	60%	0.596	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	10.4	176	-42.6	-86.7	0	0	0	116.2	K156 F245	K156-Y247 WeakPolarHBondContact CB-O 3.48Å; F245-Y247 PolarHBondContact O-N 3.19Å
248	L	88.8	Confident	90.1	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-40.7	177.9	-176.1	62.4	0	0	0	113.6	F123 K156 H158 I220 F245 A246 V255	F123-L248 HydrophobicContact CD2-CD1 4.09Å; F123-L248 HydrophobicContact CD2-CD2 3.52Å; F123-L248 HydrophobicContact CD2-CG 4.39Å; F123-L248 HydrophobicContact CE1-CD1 4.36Å; F123-L248 HydrophobicContact CE2-CD1 3.79Å; F123-L248 HydrophobicContact CE2-CD2 3.76Å; F123-L248 HydrophobicContact CE2-CG 4.45Å; F123-L248 HydrophobicContact CG-CD1 4.49Å; F123-L248 HydrophobicContact CG-CD2 4.27Å; F123-L248 HydrophobicContact CZ-CD1 3.94Å; K156-L248 HydrophobicContact CD-CD1 4.01Å; K156-L248 HydrophobicContact CG-CD1 4.32Å; H158-L248 PolarHBondContact NE2-O 3.44Å; I220-L248 HydrophobicContact CG1-CD2 4.32Å; I220-L248 HydrophobicContact CG1-CG 4.26Å; I220-L248 HydrophobicContact CG2-CD1 4.45Å; F245-L248 HydrophobicContact CB-CB 3.78Å; F245-L248 HydrophobicContact CB-CD2 3.9Å; F245-L248 HydrophobicContact CD2-CD2 3.71Å; F245-L248 HydrophobicContact CG-CD2 4.1Å; F245-L248 PolarHBondContact O-N 3.45Å; A246-L248 PolarHBondContact O-N 2.62Å; A246-L248 VanDerWaalsContact O-N 3.16Å; L248-V255 HydrophobicContact CD2-CG2 4.28Å
249	S	85.7	Confident	90.1	Very high	19 Å²	19	44.6 Å²	44.6	13%	0.133	24%	0.235	C	C	.	.	S	Bend	trans	-112.4	149.1	179.7	-175.6	0	0	0	0	110.1	E56 I251	E56-S249 VanDerWaalsContact OE2-CA 3.25Å; E56-S249 WeakPolarHBondContact OE2-CA 3.24Å; E56-S249 VanDerWaalsContact OE2-CB 3.23Å; E56-S249 WeakPolarHBondContact OE2-CB 3.23Å; E56-S249 PolarHBondContact OE2-OG 3.06Å; S249-I251 VanDerWaalsContact C-N 3.31Å; S249-I251 PolarHBondContact OG-O 3.37Å
250	E	77.4	Confident	90.1	Very high	28 Å²	28	44.3 Å²	44.3	13%	0.131	23%	0.233	C	C	.	.	S	Bend	trans	-64.7	-40.1	174.7	-173.2	177.2	-148.1	0	0	110.8	E56 R74 H158 G160	E56-E250 WeakPolarHBondContact OE1-CB 3.23Å; E56-E250 PolarHBondContact OE1-N 3.44Å; R74-E250 IonicContact NH1-OE2 2.86Å; R74-E250 PolarHBondContact NH1-OE2 3.19Å; R74-E250 VanDerWaalsContact NH1-OE2 3.13Å; H158-E250 HydrophobicContact CB-CB 3.96Å; H158-E250 HydrophobicContact CB-CG 3.88Å; H158-E250 PolarHBondContact CE1-N 3.04Å; G160-E250 WeakPolarHBondContact CA-OE1 3.32Å; G160-E250 PolarHBondContact N-OE1 3.04Å
251	I	77.8	Confident	90.3	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	-102.9	151.9	-172.7	69	169.9	0	0	0	111.6	F54 L167 L171 L213 S249 C253	F54-I251 HydrophobicContact CB-CD1 3.87Å; F54-I251 HydrophobicContact CD1-CD1 3.05Å; F54-I251 HydrophobicContact CD1-CG1 3.41Å; F54-I251 VanDerWaalsContact CD1-CG1 3.41Å; F54-I251 HydrophobicContact CD2-CD1 4.4Å; F54-I251 HydrophobicContact CE1-CB 4.37Å; F54-I251 HydrophobicContact CE1-CD1 3.48Å; F54-I251 VanDerWaalsContact CE1-CD1 3.48Å; F54-I251 HydrophobicContact CE1-CG1 3.51Å; F54-I251 HydrophobicContact CE1-CG2 4.04Å; F54-I251 HydrophobicContact CG-CD1 3.53Å; F54-I251 HydrophobicContact CG-CG1 4.36Å; F54-I251 HydrophobicContact CZ-CD1 4.33Å; F54-I251 HydrophobicContact CZ-CG2 4.45Å; L167-I251 HydrophobicContact CB-CG2 4.3Å; L171-I251 HydrophobicContact CD1-CB 3.97Å; L171-I251 HydrophobicContact CD1-CD1 4.38Å; L171-I251 HydrophobicContact CD1-CG2 4.26Å; L213-I251 HydrophobicContact CD1-CD1 4.27Å; L213-I251 HydrophobicContact CD2-CD1 3.67Å; L213-I251 HydrophobicContact CG-CD1 4.49Å; S249-I251 VanDerWaalsContact C-N 3.31Å; S249-I251 PolarHBondContact OG-O 3.37Å; I251-C253 HydrophobicContact CD1-CB 3.77Å; I251-C253 WeakPolarHBondContact CD1-SG 3.34Å; I251-C253 HydrophobicContact CG1-CB 3.9Å; I251-C253 PolarHBondContact O-N 2.76Å
252	P	77.3	Confident	90.4	Very high	81 Å²	81	34.4 Å²	34.4	53%	0.526	18%	0.182	S	C	.	.	S	Bend	trans	-76.8	28.6	-178.5	34.3	-38.1	0	0	0	113.5	L171 N244	L171-P252 HydrophobicContact CB-CG 4.14Å; L171-P252 HydrophobicContact CD1-CG 4.38Å; N244-P252 PolarHBondContact OD1-O 3.14Å
253	C	86	Confident	90.4	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.061	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-87.7	137	175.3	-68.8	0	0	0	0	109.8	L213 T218 N244 I251 V255	L213-C253 PolarHBondContact O-SG 3.21Å; T218-C253 WeakPolarHBondContact OG1-CB 3.3Å; T218-C253 PolarHBondContact OG1-O 3.27Å; N244-C253 PolarHBondContact OD1-O 2.92Å; I251-C253 HydrophobicContact CD1-CB 3.77Å; I251-C253 WeakPolarHBondContact CD1-SG 3.34Å; I251-C253 HydrophobicContact CG1-CB 3.9Å; I251-C253 PolarHBondContact O-N 2.76Å; C253-V255 PolarHBondContact O-N 3.24Å
254	P	92.7	Very high	90.3	Very high	36 Å²	36	28.5 Å²	28.5	23%	0.234	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-74.8	132.2	-173.2	32.5	-37.4	0	0	0	111.5	E217 T218 P242 N244 R256	E217-P254 CarbonylContact C-O 3.51Å; E217-P254 WeakPolarHBondContact CA-O 3.48Å; T218-P254 PolarHBondContact N-O 2.97Å; P242-P254 HydrophobicContact CB-CB 3.56Å; P242-P254 HydrophobicContact CB-CG 3.7Å; N244-P254 WeakPolarHBondContact OD1-CA 3.33Å; N244-P254 VanDerWaalsContact OD1-N 3.09Å; P254-R256 PolarHBondContact O-N 3.32Å
255	V	95.7	Very high	90.2	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.6	179.1	-179.3	0	0	0	0	109.6	T218 I220 L239 P242 R243 F245 L248 C253 Y257	T218-V255 HydrophobicContact CG2-CG2 4.23Å; T218-V255 CarbonylContact O-C 3.57Å; T218-V255 WeakPolarHBondContact O-CA 3.18Å; I220-V255 HydrophobicContact CG1-CG1 4.06Å; I220-V255 HydrophobicContact CG1-CG2 4.02Å; L239-V255 WeakPolarHBondContact CD1-O 3.5Å; P242-V255 CarbonylContact C-O 3.57Å; P242-V255 VanDerWaalsContact CA-O 3.24Å; P242-V255 WeakPolarHBondContact CA-O 3.44Å; R243-V255 PolarHBondContact N-O 2.94Å; R243-V255 WeakPolarHBondContact O-CB 3.11Å; R243-V255 PolarHBondContact O-N 2.77Å; F245-V255 HydrophobicContact CD2-CB 3.97Å; F245-V255 HydrophobicContact CD2-CG1 4.48Å; F245-V255 HydrophobicContact CD2-CG2 4.11Å; F245-V255 HydrophobicContact CE2-CB 4.08Å; F245-V255 HydrophobicContact CE2-CG1 4.37Å; L248-V255 HydrophobicContact CD2-CG2 4.28Å; C253-V255 PolarHBondContact O-N 3.24Å; V255-Y257 WeakPolarHBondContact CG1-O 3.38Å
256	R	96.3	Very high	90.1	Very high	45 Å²	45	35.2 Å²	35.2	17%	0.17	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-39.6	174.3	171.8	63.1	74	174.9	11.2	111.8	E217 T218 L239 T240 P254	E217-R256 HydrophobicContact CB-CB 3.93Å; E217-R256 IonicContact OE1-NE 3.47Å; E217-R256 IonicContact OE1-NH2 2.75Å; E217-R256 PolarHBondContact OE1-NH2 3.44Å; E217-R256 WeakPolarHBondContact OE2-CB 3.4Å; E217-R256 WeakPolarHBondContact OE2-CG 3.42Å; E217-R256 IonicContact OE2-CZ 3.54Å; E217-R256 IonicContact OE2-NE 3.56Å; E217-R256 PolarHBondContact OE2-NE 3.3Å; E217-R256 IonicContact OE2-NH2 3.87Å; T218-R256 PolarHBondContact O-N 2.91Å; L239-R256 PolarHBondContact N-O 2.98Å; L239-R256 WeakPolarHBondContact O-CD 3.33Å; L239-R256 PolarHBondContact O-NH1 3.33Å; T240-R256 PolarHBondContact O-NH1 3.36Å; P254-R256 PolarHBondContact O-N 3.32Å
257	Y	97.9	Very high	90.3	Very high	11 Å²	11	32.4 Å²	32.4	4%	0.043	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143	-174.8	-56.9	-74.8	0	0	0	110.7	I53 T218 G219 I220 F236 V237 R238 V255 M283 A292 A293	I53-Y257 HydrophobicContact CD1-CD2 3.87Å; I53-Y257 HydrophobicContact CD1-CE2 3.73Å; I53-Y257 HydrophobicContact CG1-CD2 4.38Å; I53-Y257 HydrophobicContact CG1-CE2 4.18Å; T218-Y257 PolarHBondContact O-N 2.88Å; G219-Y257 CarbonylContact C-O 3.55Å; G219-Y257 WeakPolarHBondContact CA-O 3.19Å; I220-Y257 PolarHBondContact N-O 3.16Å; F236-Y257 HydrophobicContact CE1-CD1 4.27Å; F236-Y257 AromaticContact CZ-CD1 3.8Å; F236-Y257 HydrophobicContact CZ-CD1 3.8Å; F236-Y257 HydrophobicContact CZ-CE1 4.36Å; V237-Y257 VanDerWaalsContact O-CA 3.32Å; V237-Y257 WeakPolarHBondContact O-CA 3.21Å; R238-Y257 HydrophobicContact CB-CD1 4.08Å; R238-Y257 HydrophobicContact CB-CE1 4.05Å; R238-Y257 HydrophobicContact CG-CD1 4.11Å; R238-Y257 HydrophobicContact CG-CE1 3.68Å; V255-Y257 WeakPolarHBondContact CG1-O 3.38Å; Y257-M283 HydrophobicContact CD1-CE 4.5Å; Y257-M283 HydrophobicContact CD2-CE 4.3Å; Y257-M283 HydrophobicContact CD2-SD 4.32Å; Y257-M283 HydrophobicContact CG-CE 3.95Å; Y257-A292 HydrophobicContact CE1-CB 4.04Å; Y257-A293 WeakPolarHBondContact OH-CA 3.28Å; Y257-A293 PolarHBondContact OH-N 3.31Å
258	L	98.4	Very high	90.6	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.5	171	172.5	68.9	0	0	0	108.3	F123 L126 I130 I220 L222 V237 V260	F123-L258 HydrophobicContact CE2-CD2 4.17Å; L126-L258 HydrophobicContact CD2-CD2 3.66Å; L126-L258 HydrophobicContact CG-CD2 4.06Å; I130-L258 HydrophobicContact CD1-CD2 3.74Å; I220-L258 HydrophobicContact CB-CD1 3.76Å; I220-L258 HydrophobicContact CG2-CD1 3.75Å; I220-L258 CarbonylContact O-C 3.57Å; I220-L258 WeakPolarHBondContact O-CA 3.41Å; L222-L258 HydrophobicContact CD1-CD1 4.05Å; L222-L258 HydrophobicContact CG-CD1 4.04Å; V237-L258 HydrophobicContact CB-CB 4.22Å; V237-L258 PolarHBondContact N-O 3.03Å; V237-L258 PolarHBondContact O-N 3.32Å; L258-V260 HydrophobicContact CD1-CG2 4.09Å; L258-V260 HydrophobicContact CD2-CG2 4.01Å; L258-V260 HydrophobicContact CG-CG2 3.85Å
259	F	98.6	Very high	90.5	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.7	169.6	-179.8	-117.6	0	0	0	108.7	L105 C108 L109 I220 I221 L222 A235 F236 L261 I275 M279	L105-F259 HydrophobicContact CD1-CE1 3.97Å; L105-F259 HydrophobicContact CD1-CE2 4.19Å; L105-F259 HydrophobicContact CD1-CZ 3.61Å; C108-F259 HydrophobicContact CB-CE2 4.38Å; C108-F259 HydrophobicContact CB-CZ 4.14Å; L109-F259 HydrophobicContact CD2-CD2 4.37Å; L109-F259 HydrophobicContact CD2-CE2 4.12Å; I220-F259 PolarHBondContact O-N 3.32Å; I221-F259 CarbonylContact C-O 3.55Å; I221-F259 WeakPolarHBondContact CA-O 3.36Å; I221-F259 HydrophobicContact CG1-CB 4.35Å; I221-F259 HydrophobicContact CG2-CD1 4.07Å; L222-F259 PolarHBondContact N-O 2.76Å; A235-F259 CarbonylContact O-C 3.46Å; A235-F259 WeakPolarHBondContact O-CA 3.12Å; A235-F259 WeakPolarHBondContact O-CD2 3.15Å; F236-F259 HydrophobicContact CB-CD2 4.34Å; F236-F259 HydrophobicContact CD2-CB 4.47Å; F236-F259 HydrophobicContact CD2-CD2 4.29Å; F259-L261 HydrophobicContact CE1-CB 3.9Å; F259-L261 HydrophobicContact CE1-CD2 4.26Å; F259-L261 HydrophobicContact CZ-CB 4.07Å; F259-L261 HydrophobicContact CZ-CD2 4.42Å; F259-I275 HydrophobicContact CE1-CG2 4.42Å; F259-I275 HydrophobicContact CZ-CG2 4.5Å; F259-M279 HydrophobicContact CB-CE 4.02Å; F259-M279 HydrophobicContact CB-CG 4.09Å; F259-M279 HydrophobicContact CD1-CB 4.04Å; F259-M279 HydrophobicContact CD1-CE 3.92Å; F259-M279 HydrophobicContact CD1-CG 3.86Å; F259-M279 HydrophobicContact CD2-CE 3.53Å; F259-M279 HydrophobicContact CE1-CB 4.36Å; F259-M279 HydrophobicContact CE1-CE 4.27Å; F259-M279 HydrophobicContact CE2-CE 3.91Å; F259-M279 HydrophobicContact CG-CE 3.54Å; F259-M279 HydrophobicContact CG-CG 4.07Å; F259-M279 HydrophobicContact CZ-CE 4.27Å
260	V	98.6	Very high	90.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.5	177.1	-174.5	0	0	0	0	108	I130 W134 L152 L222 S234 A235 L258 L262	I130-V260 HydrophobicContact CD1-CG2 4.21Å; W134-V260 HydrophobicContact CH2-CB 4.44Å; W134-V260 HydrophobicContact CH2-CG1 3.92Å; L152-V260 HydrophobicContact CD2-CG1 3.88Å; L222-V260 HydrophobicContact CB-CG1 4.45Å; L222-V260 HydrophobicContact CB-CG2 4.41Å; L222-V260 HydrophobicContact CD1-CG2 4.43Å; L222-V260 CarbonylContact O-C 3.53Å; L222-V260 WeakPolarHBondContact O-CA 3.48Å; S234-V260 CarbonylContact C-O 3.58Å; S234-V260 VanDerWaalsContact CA-O 3.23Å; S234-V260 WeakPolarHBondContact CA-O 3.23Å; A235-V260 HydrophobicContact CB-CB 4.44Å; A235-V260 PolarHBondContact N-O 3.35Å; A235-V260 PolarHBondContact O-N 3.26Å; L258-V260 HydrophobicContact CD1-CG2 4.09Å; L258-V260 HydrophobicContact CD2-CG2 4.01Å; L258-V260 HydrophobicContact CG-CG2 3.85Å; V260-L262 HydrophobicContact CG1-CD1 4.32Å; V260-L262 HydrophobicContact CG1-CD2 3.94Å; V260-L262 HydrophobicContact CG1-CG 3.9Å
261	L	98.2	Very high	91.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	110.1	175.8	179	63	0	0	0	109.5	L222 I223 A224 T232 L233 F259 T263 L272 I275	L222-L261 PolarHBondContact O-N 3.27Å; I223-L261 WeakPolarHBondContact CA-O 3.27Å; I223-L261 HydrophobicContact CG2-CB 4.2Å; A224-L261 PolarHBondContact N-O 3.07Å; T232-L261 HydrophobicContact CG2-CD1 3.52Å; L233-L261 WeakPolarHBondContact O-CA 3.43Å; F259-L261 HydrophobicContact CE1-CB 3.9Å; F259-L261 HydrophobicContact CE1-CD2 4.26Å; F259-L261 HydrophobicContact CZ-CB 4.07Å; F259-L261 HydrophobicContact CZ-CD2 4.42Å; L261-T263 HydrophobicContact CD1-CG2 4.4Å; L261-T263 HydrophobicContact CG-CG2 4.44Å; L261-L272 HydrophobicContact CB-CD1 4.33Å; L261-L272 HydrophobicContact CD2-CD1 3.6Å; L261-L272 HydrophobicContact CG-CD1 3.58Å; L261-I275 HydrophobicContact CD2-CB 3.77Å; L261-I275 HydrophobicContact CD2-CD1 4.16Å; L261-I275 HydrophobicContact CD2-CG2 3.42Å; L261-I275 VanDerWaalsContact CD2-CG2 3.42Å
262	L	96.9	Very high	92	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.6	179.4	-47.9	177.5	0	0	0	108.2	W69 W134 I148 A224 I226 L229 T232 L233 V260	W69-L262 HydrophobicContact CH2-CD2 4.22Å; W134-L262 HydrophobicContact CH2-CD1 3.8Å; W134-L262 HydrophobicContact CH2-CG 4.33Å; W134-L262 HydrophobicContact CZ3-CD1 3.91Å; I148-L262 HydrophobicContact CG2-CD1 3.52Å; A224-L262 HydrophobicContact CB-CD2 3.84Å; A224-L262 CarbonylContact O-C 3.44Å; A224-L262 WeakPolarHBondContact O-CA 3.44Å; I226-L262 HydrophobicContact CG1-CB 4.11Å; I226-L262 HydrophobicContact CG1-CD2 4.35Å; L229-L262 HydrophobicContact CD1-CB 3.62Å; T232-L262 CarbonylContact C-O 3.58Å; T232-L262 WeakPolarHBondContact CA-O 3.45Å; L233-L262 HydrophobicContact CB-CB 4.32Å; L233-L262 PolarHBondContact N-O 3.39Å; L233-L262 PolarHBondContact O-N 3.22Å; V260-L262 HydrophobicContact CG1-CD1 4.32Å; V260-L262 HydrophobicContact CG1-CD2 3.94Å; V260-L262 HydrophobicContact CG1-CG 3.9Å
263	T	94.3	Very high	92.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	162.2	-178.1	54.3	0	0	0	0	110.4	L12 A224 Q225 I226 T232 L261 L272	L12-T263 HydrophobicContact CD1-CG2 3.7Å; A224-T263 PolarHBondContact O-N 2.83Å; A224-T263 PolarHBondContact O-OG1 2.68Å; Q225-T263 CarbonylContact C-O 3.55Å; Q225-T263 WeakPolarHBondContact CA-O 3.49Å; I226-T263 PolarHBondContact N-O 2.74Å; T232-T263 HydrophobicContact CG2-CG2 3.73Å; L261-T263 HydrophobicContact CD1-CG2 4.4Å; L261-T263 HydrophobicContact CG-CG2 4.44Å; T263-L272 HydrophobicContact CG2-CD1 3.86Å
264	S	91.1	Very high	93.3	Very high	9 Å²	9	40 Å²	40	6%	0.063	20%	0.203	C	C	.	.			trans	-71.8	166.4	163.7	-169.7	0	0	0	0	111	Q225 L229 D266 H267	Q225-S264 PolarHBondContact NE2-O 3.49Å; L229-S264 WeakPolarHBondContact O-CB 3.48Å; L229-S264 PolarHBondContact O-OG 3.35Å; S264-D266 PolarHBondContact O-N 3.09Å; S264-H267 PolarHBondContact O-N 2.9Å
265	F	88.8	Confident	93.4	Very high	117 Å²	117	38.3 Å²	38.3	51%	0.513	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.4	169.3	-77.5	-94.7	0	0	0	113.4	Q225 P227 H267	Q225-F265 VanDerWaalsContact C-CE2 3.49Å; Q225-F265 HydrophobicContact CB-CD1 4.16Å; Q225-F265 HydrophobicContact CB-CD2 4.07Å; Q225-F265 HydrophobicContact CB-CE1 3.92Å; Q225-F265 HydrophobicContact CB-CE2 3.78Å; Q225-F265 HydrophobicContact CB-CG 4.26Å; Q225-F265 HydrophobicContact CB-CZ 3.72Å; Q225-F265 WeakPolarHBondContact O-CE2 3.33Å; P227-F265 HydrophobicContact CB-CD2 4.31Å; P227-F265 HydrophobicContact CB-CE2 4.09Å; P227-F265 HydrophobicContact CG-CD2 4.23Å; P227-F265 HydrophobicContact CG-CE2 3.53Å; P227-F265 HydrophobicContact CG-CZ 4.24Å; F265-H267 PolarHBondContact O-N 3.22Å
266	D	87.7	Confident	93.5	Very high	137 Å²	137	38.2 Å²	38.2	73%	0.733	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.9	172.9	-67.1	-20.3	0	0	0	112.8	S264	S264-D266 PolarHBondContact O-N 3.09Å
267	H	87.1	Confident	93.6	Very high	20 Å²	20	37 Å²	37	9%	0.093	19%	0.187	C	C	.	.	S	Bend	trans	-90.1	152.1	175.1	-66.4	-67.7	0	0	0	111.7	D10 Q225 T232 S264 F265	D10-H267 IonicContact OD1-CE1 2.61Å; D10-H267 IonicContact OD1-NE2 3.28Å; D10-H267 PolarHBondContact OD1-NE2 2.7Å; D10-H267 IonicContact OD2-CD2 2.77Å; D10-H267 IonicContact OD2-CE1 3.06Å; D10-H267 IonicContact OD2-NE2 2.72Å; D10-H267 PolarHBondContact OD2-NE2 2.61Å; Q225-H267 PolarHBondContact NE2-O 3.34Å; T232-H267 PolarHBondContact OG1-NE2 2.87Å; S264-H267 PolarHBondContact O-N 2.9Å; F265-H267 PolarHBondContact O-N 3.22Å
268	H	86.7	Confident	93.5	Very high	134 Å²	134	36.5 Å²	36.5	62%	0.62	19%	0.185	S	C	*	.			trans	-71.7	133.7	174	-66.8	-58.5	0	0	0	110.8	D270 D271 L272	H268-D270 PolarHBondContact O-N 2.83Å; H268-D271 PolarHBondContact O-N 2.86Å; H268-D271 VanDerWaalsContact O-N 3.15Å; H268-L272 PolarHBondContact O-N 3.04Å
269	A	88.3	Confident	93.5	Very high	36 Å²	36	36.3 Å²	36.3	30%	0.298	18%	0.184	S	C	.	.	H	α-helix	trans	-54.8	-40	174.8	0	0	0	0	0	111.2	D271 L272 F273	A269-D271 VanDerWaalsContact C-N 3.27Å; A269-D271 PolarHBondContact O-N 2.61Å; A269-L272 WeakPolarHBondContact O-CA 3.42Å; A269-L272 VanDerWaalsContact O-CB 3.3Å; A269-L272 WeakPolarHBondContact O-CB 3.22Å; A269-L272 PolarHBondContact O-N 2.77Å; A269-L272 VanDerWaalsContact O-N 3.07Å; A269-F273 VanDerWaalsContact O-CD2 3.26Å; A269-F273 WeakPolarHBondContact O-CD2 3.5Å; A269-F273 PolarHBondContact O-N 3.22Å
270	D	88.8	Confident	93.4	Very high	130 Å²	130	36.2 Å²	36.2	70%	0.695	18%	0.183	S	C	*	.	H	α-helix	trans	-58.4	-37.5	-179.6	-65.8	-26.3	0	0	0	113	H268 F273 M274	H268-D270 PolarHBondContact O-N 2.83Å; D270-F273 PolarHBondContact O-N 2.86Å; D270-M274 VanDerWaalsContact O-CB 3.29Å; D270-M274 WeakPolarHBondContact O-CB 3.29Å; D270-M274 PolarHBondContact O-N 3.16Å
271	D	89.8	Confident	93.2	Very high	58 Å²	58	36.3 Å²	36.3	31%	0.31	18%	0.184	S	C	.	.	H	α-helix	trans	-68.2	-43.3	176.3	-67.2	-27.4	0	0	0	110.8	H268 A269 F273 M274 I275	H268-D271 PolarHBondContact O-N 2.86Å; H268-D271 VanDerWaalsContact O-N 3.15Å; A269-D271 VanDerWaalsContact C-N 3.27Å; A269-D271 PolarHBondContact O-N 2.61Å; D271-F273 PolarHBondContact O-N 2.73Å; D271-M274 WeakPolarHBondContact O-CB 3.47Å; D271-M274 PolarHBondContact O-N 3.22Å; D271-I275 WeakPolarHBondContact O-CD1 2.92Å; D271-I275 VanDerWaalsContact O-CG1 3.23Å; D271-I275 WeakPolarHBondContact O-CG1 3.32Å; D271-I275 PolarHBondContact O-N 3.32Å
272	L	93.4	Very high	93.1	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-56.8	-48.7	174.3	173	70.4	0	0	0	111.3	I223 Q225 L261 T263 H268 A269 M274 I275 G276	I223-L272 HydrophobicContact CB-CD1 3.93Å; I223-L272 HydrophobicContact CB-CD2 4.33Å; I223-L272 HydrophobicContact CB-CG 4Å; I223-L272 HydrophobicContact CD1-CG 4.42Å; I223-L272 HydrophobicContact CG2-CD1 4.29Å; Q225-L272 HydrophobicContact CG-CD2 3.66Å; L261-L272 HydrophobicContact CB-CD1 4.33Å; L261-L272 HydrophobicContact CD2-CD1 3.6Å; L261-L272 HydrophobicContact CG-CD1 3.58Å; T263-L272 HydrophobicContact CG2-CD1 3.86Å; H268-L272 PolarHBondContact O-N 3.04Å; A269-L272 WeakPolarHBondContact O-CA 3.42Å; A269-L272 VanDerWaalsContact O-CB 3.3Å; A269-L272 WeakPolarHBondContact O-CB 3.22Å; A269-L272 PolarHBondContact O-N 2.77Å; A269-L272 VanDerWaalsContact O-N 3.07Å; L272-M274 VanDerWaalsContact C-N 3.35Å; L272-I275 PolarHBondContact O-N 2.61Å; L272-G276 PolarHBondContact O-N 3.42Å; L272-G276 VanDerWaalsContact O-N 3.12Å
273	F	94.1	Very high	93	Very high	75 Å²	75	36.4 Å²	36.4	33%	0.329	18%	0.184	S	C	.	.	H	α-helix	trans	-63.2	-41.1	176	-84.8	-88.3	0	0	0	111.4	M57 A59 V72 I223 A269 D270 D271 I275 G276 R277	M57-F273 HydrophobicContact CE-CD1 4.01Å; A59-F273 HydrophobicContact CB-CE1 4.01Å; A59-F273 HydrophobicContact CB-CZ 3.76Å; V72-F273 HydrophobicContact CB-CE1 4.34Å; V72-F273 HydrophobicContact CG1-CE1 4.34Å; V72-F273 HydrophobicContact CG2-CE1 4.04Å; I223-F273 HydrophobicContact CD1-CD1 3.68Å; I223-F273 HydrophobicContact CD1-CD2 4.41Å; I223-F273 HydrophobicContact CD1-CE1 3.93Å; I223-F273 HydrophobicContact CD1-CG 3.95Å; I223-F273 HydrophobicContact CD1-CZ 4.37Å; A269-F273 VanDerWaalsContact O-CD2 3.26Å; A269-F273 WeakPolarHBondContact O-CD2 3.5Å; A269-F273 PolarHBondContact O-N 3.22Å; D270-F273 PolarHBondContact O-N 2.86Å; D271-F273 PolarHBondContact O-N 2.73Å; F273-I275 PolarHBondContact O-N 2.86Å; F273-G276 PolarHBondContact O-N 2.91Å; F273-R277 VanDerWaalsContact O-CG 3.28Å; F273-R277 WeakPolarHBondContact O-CG 3.13Å; F273-R277 PolarHBondContact O-N 3.21Å
274	M	95	Very high	92.7	Very high	18 Å²	18	37.8 Å²	37.8	9%	0.089	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-43.3	178.6	-171.6	57.9	60.6	0	0	112.2	V97 T98 D270 D271 L272 R277 C278 L322	V97-M274 HydrophobicContact CB-SD 4.38Å; T98-M274 HydrophobicContact CG2-CE 3.98Å; T98-M274 HydrophobicContact CG2-CG 4.47Å; T98-M274 HydrophobicContact CG2-SD 4.05Å; T98-M274 WeakPolarHBondContact OG1-CG 3.5Å; D270-M274 VanDerWaalsContact O-CB 3.29Å; D270-M274 WeakPolarHBondContact O-CB 3.29Å; D270-M274 PolarHBondContact O-N 3.16Å; D271-M274 WeakPolarHBondContact O-CB 3.47Å; D271-M274 PolarHBondContact O-N 3.22Å; L272-M274 VanDerWaalsContact C-N 3.35Å; M274-R277 PolarHBondContact O-N 3.06Å; M274-C278 PolarHBondContact O-N 3.04Å; M274-C278 PolarHBondContact O-SG 3.44Å; M274-L322 HydrophobicContact CE-CD1 3.48Å; M274-L322 VanDerWaalsContact CE-CD1 3.48Å; M274-L322 HydrophobicContact CE-CD2 3.75Å; M274-L322 HydrophobicContact CE-CG 4.19Å
275	I	96.7	Very high	92.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-42.8	177.6	-64.2	159.1	0	0	0	110.5	L12 Q104 L105 F259 L261 D271 L272 F273 C278 M279	L12-I275 HydrophobicContact CD1-CD1 4.09Å; L12-I275 HydrophobicContact CD2-CD1 3.46Å; L12-I275 VanDerWaalsContact CD2-CD1 3.46Å; L12-I275 HydrophobicContact CG-CD1 4.43Å; Q104-I275 HydrophobicContact CB-CD1 3.76Å; Q104-I275 HydrophobicContact CB-CG1 3.76Å; Q104-I275 HydrophobicContact CG-CD1 4.48Å; L105-I275 HydrophobicContact CB-CG2 3.98Å; L105-I275 HydrophobicContact CD1-CG2 3.87Å; L105-I275 HydrophobicContact CG-CG2 4.48Å; F259-I275 HydrophobicContact CE1-CG2 4.42Å; F259-I275 HydrophobicContact CZ-CG2 4.5Å; L261-I275 HydrophobicContact CD2-CB 3.77Å; L261-I275 HydrophobicContact CD2-CD1 4.16Å; L261-I275 HydrophobicContact CD2-CG2 3.42Å; L261-I275 VanDerWaalsContact CD2-CG2 3.42Å; D271-I275 WeakPolarHBondContact O-CD1 2.92Å; D271-I275 VanDerWaalsContact O-CG1 3.23Å; D271-I275 WeakPolarHBondContact O-CG1 3.32Å; D271-I275 PolarHBondContact O-N 3.32Å; L272-I275 PolarHBondContact O-N 2.61Å; F273-I275 PolarHBondContact O-N 2.86Å; I275-C278 WeakPolarHBondContact O-CB 3.42Å; I275-C278 PolarHBondContact O-N 2.95Å; I275-M279 PolarHBondContact O-N 3.02Å
276	G	97.8	Very high	92.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-46.7	173.2	0	0	0	0	0	112.2	M57 L272 F273 C278 M279 G280	M57-G276 VanDerWaalsContact SD-C 3.6Å; L272-G276 PolarHBondContact O-N 3.42Å; L272-G276 VanDerWaalsContact O-N 3.12Å; F273-G276 PolarHBondContact O-N 2.91Å; G276-C278 VanDerWaalsContact C-N 3.35Å; G276-C278 PolarHBondContact O-N 3.23Å; G276-M279 WeakPolarHBondContact O-CB 3.42Å; G276-M279 PolarHBondContact O-N 3.28Å; G276-M279 VanDerWaalsContact O-N 3.14Å; G276-G280 PolarHBondContact O-N 3.3Å
277	R	96.6	Very high	92.3	Very high	21 Å²	21	32 Å²	32	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-38	176.2	-68.4	177.1	70.3	-128.6	-7.7	112.8	M57 W75 E79 L96 V97 F273 M274 M279 G280 A281	M57-R277 HydrophobicContact CE-CG 4.06Å; W75-R277 HydrophobicContact CH2-CG 4.24Å; W75-R277 HydrophobicContact CZ2-CB 4.09Å; W75-R277 HydrophobicContact CZ2-CG 3.99Å; E79-R277 IonicContact OE1-CZ 3.9Å; E79-R277 IonicContact OE1-NE 3Å; E79-R277 PolarHBondContact OE1-NE 3.23Å; E79-R277 IonicContact OE1-NH2 2.84Å; E79-R277 PolarHBondContact OE1-NH2 3.01Å; E79-R277 IonicContact OE2-CZ 3.63Å; E79-R277 IonicContact OE2-NE 3.34Å; E79-R277 IonicContact OE2-NH2 3.63Å; E79-R277 PolarHBondContact OE2-NH2 3.26Å; L96-R277 VanDerWaalsContact O-CZ 3.25Å; L96-R277 PolarHBondContact O-NH1 3.43Å; L96-R277 PolarHBondContact O-NH2 2.68Å; V97-R277 HydrophobicContact CG1-CB 4.3Å; F273-R277 VanDerWaalsContact O-CG 3.28Å; F273-R277 WeakPolarHBondContact O-CG 3.13Å; F273-R277 PolarHBondContact O-N 3.21Å; M274-R277 PolarHBondContact O-N 3.06Å; R277-M279 VanDerWaalsContact C-N 3.31Å; R277-M279 PolarHBondContact O-N 3.22Å; R277-G280 PolarHBondContact O-N 3.23Å; R277-A281 WeakPolarHBondContact O-CB 3.47Å; R277-A281 PolarHBondContact O-N 3.23Å
278	C	97.2	Very high	92.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.4	-42.9	173	-69.2	0	0	0	0	111.3	L102 L105 M274 I275 G276 A281 L282	L102-C278 HydrophobicContact CD2-CB 3.97Å; L102-C278 HydrophobicContact CG-CB 4.47Å; L105-C278 HydrophobicContact CB-CB 4.44Å; L105-C278 HydrophobicContact CD2-CB 3.7Å; M274-C278 PolarHBondContact O-N 3.04Å; M274-C278 PolarHBondContact O-SG 3.44Å; I275-C278 WeakPolarHBondContact O-CB 3.42Å; I275-C278 PolarHBondContact O-N 2.95Å; G276-C278 VanDerWaalsContact C-N 3.35Å; G276-C278 PolarHBondContact O-N 3.23Å; C278-A281 PolarHBondContact O-N 3.47Å; C278-L282 WeakPolarHBondContact O-CB 3.49Å; C278-L282 WeakPolarHBondContact O-CD1 3.49Å; C278-L282 WeakPolarHBondContact O-CG 3.32Å; C278-L282 PolarHBondContact O-N 2.83Å
279	M	97.7	Very high	92.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-43.7	176.1	-178.9	61.8	84.8	0	0	111.5	L105 L109 I221 F236 F259 I275 G276 R277 A281 L282 M283 F288	L105-M279 HydrophobicContact CD1-CB 4.31Å; L105-M279 HydrophobicContact CD1-CE 3.71Å; L105-M279 HydrophobicContact CD2-CB 3.97Å; L105-M279 HydrophobicContact CD2-CE 4.44Å; L109-M279 HydrophobicContact CD1-CE 4.26Å; L109-M279 HydrophobicContact CD2-CE 3.86Å; L109-M279 HydrophobicContact CG-CE 4.44Å; I221-M279 HydrophobicContact CD1-CB 3.86Å; I221-M279 HydrophobicContact CD1-CG 3.74Å; I221-M279 HydrophobicContact CG1-CB 4.43Å; I221-M279 HydrophobicContact CG1-CG 3.95Å; F236-M279 HydrophobicContact CD2-CE 3.81Å; F236-M279 HydrophobicContact CE2-CE 4.08Å; F236-M279 HydrophobicContact CE2-SD 4.35Å; F259-M279 HydrophobicContact CB-CE 4.02Å; F259-M279 HydrophobicContact CB-CG 4.09Å; F259-M279 HydrophobicContact CD1-CB 4.04Å; F259-M279 HydrophobicContact CD1-CE 3.92Å; F259-M279 HydrophobicContact CD1-CG 3.86Å; F259-M279 HydrophobicContact CD2-CE 3.53Å; F259-M279 HydrophobicContact CE1-CB 4.36Å; F259-M279 HydrophobicContact CE1-CE 4.27Å; F259-M279 HydrophobicContact CE2-CE 3.91Å; F259-M279 HydrophobicContact CG-CE 3.54Å; F259-M279 HydrophobicContact CG-CG 4.07Å; F259-M279 HydrophobicContact CZ-CE 4.27Å; I275-M279 PolarHBondContact O-N 3.02Å; G276-M279 WeakPolarHBondContact O-CB 3.42Å; G276-M279 PolarHBondContact O-N 3.28Å; G276-M279 VanDerWaalsContact O-N 3.14Å; R277-M279 VanDerWaalsContact C-N 3.31Å; R277-M279 PolarHBondContact O-N 3.22Å; M279-A281 PolarHBondContact O-N 2.81Å; M279-L282 PolarHBondContact O-N 3.05Å; M279-M283 WeakPolarHBondContact O-CG 3.41Å; M279-M283 PolarHBondContact O-N 2.9Å; M279-M283 HydrophobicContact SD-CE 3.99Å; M279-M283 HydrophobicContact SD-CG 4.45Å; M279-F288 HydrophobicContact SD-CE1 4.48Å
280	G	96.7	Very high	92.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-45.7	176.6	0	0	0	0	0	112.4	G276 R277 M283 T284	G276-G280 PolarHBondContact O-N 3.3Å; R277-G280 PolarHBondContact O-N 3.23Å; G280-M283 PolarHBondContact O-N 3.46Å; G280-T284 PolarHBondContact O-N 3.02Å
281	A	95.2	Very high	92.7	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-64.4	-39.9	175.4	0	0	0	0	0	112.8	P95 V97 R277 C278 M279 M283 T284 F308	P95-A281 HydrophobicContact CB-CB 3.93Å; P95-A281 HydrophobicContact CG-CB 3.9Å; V97-A281 HydrophobicContact CG1-CB 4.22Å; R277-A281 WeakPolarHBondContact O-CB 3.47Å; R277-A281 PolarHBondContact O-N 3.23Å; C278-A281 PolarHBondContact O-N 3.47Å; M279-A281 PolarHBondContact O-N 2.81Å; A281-M283 VanDerWaalsContact C-N 3.28Å; A281-M283 PolarHBondContact O-N 3.4Å; A281-T284 PolarHBondContact O-N 3.2Å; A281-T284 PolarHBondContact O-OG1 2.98Å; A281-F308 HydrophobicContact CB-CZ 4.44Å
282	L	95.2	Very high	92.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.9	-33.8	174.9	-80	162.3	0	0	0	112.5	L102 L105 C278 M279 T284 D285 F288 I305 F308	L102-L282 HydrophobicContact CD2-CD1 4.13Å; L102-L282 HydrophobicContact CD2-CG 4.4Å; L105-L282 HydrophobicContact CD2-CD1 3.38Å; L105-L282 HydrophobicContact CG-CD1 4.5Å; C278-L282 WeakPolarHBondContact O-CB 3.49Å; C278-L282 WeakPolarHBondContact O-CD1 3.49Å; C278-L282 WeakPolarHBondContact O-CG 3.32Å; C278-L282 PolarHBondContact O-N 2.83Å; M279-L282 PolarHBondContact O-N 3.05Å; L282-T284 PolarHBondContact O-N 3.19Å; L282-D285 WeakPolarHBondContact O-CB 3.41Å; L282-D285 PolarHBondContact O-N 3.5Å; L282-D285 VanDerWaalsContact O-N 3.11Å; L282-F288 HydrophobicContact CB-CD1 3.81Å; L282-F288 HydrophobicContact CB-CD2 4.44Å; L282-F288 HydrophobicContact CB-CE1 4.01Å; L282-F288 HydrophobicContact CB-CG 4.04Å; L282-F288 HydrophobicContact CB-CZ 4.42Å; L282-F288 HydrophobicContact CD1-CE2 4.49Å; L282-F288 HydrophobicContact CD2-CB 4.26Å; L282-F288 HydrophobicContact CD2-CD2 3.84Å; L282-F288 HydrophobicContact CD2-CE2 4.35Å; L282-F288 HydrophobicContact CD2-CG 3.97Å; L282-F288 WeakPolarHBondContact O-CB 3.48Å; L282-F288 VanDerWaalsContact O-CD1 3.31Å; L282-F288 WeakPolarHBondContact O-CD1 3.32Å; L282-I305 HydrophobicContact CD1-CD1 4.24Å; L282-I305 HydrophobicContact CD1-CG1 3.81Å; L282-I305 HydrophobicContact CD2-CG1 4.4Å; L282-F308 HydrophobicContact CD2-CB 3.43Å; L282-F308 VanDerWaalsContact CD2-CB 3.43Å; L282-F308 HydrophobicContact CD2-CD1 3.69Å; L282-F308 HydrophobicContact CD2-CD2 3.84Å; L282-F308 HydrophobicContact CD2-CE1 4.39Å; L282-F308 HydrophobicContact CD2-CG 3.37Å; L282-F308 HydrophobicContact CG-CD1 4.33Å; L282-F308 HydrophobicContact CG-CG 4.36Å
283	M	94.6	Very high	92.7	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.015	10%	0.095	C	C	.	.	H	α-helix	trans	-70.4	-17.8	177.8	-71.7	-64.9	-169.7	0	0	113.5	I53 C55 F236 Y257 M279 G280 A281 F288 R289	I53-M283 HydrophobicContact CG2-CB 4.37Å; C55-M283 HydrophobicContact CB-CB 4.13Å; F236-M283 HydrophobicContact CE2-CE 3.63Å; F236-M283 HydrophobicContact CZ-CE 4.08Å; Y257-M283 HydrophobicContact CD1-CE 4.5Å; Y257-M283 HydrophobicContact CD2-CE 4.3Å; Y257-M283 HydrophobicContact CD2-SD 4.32Å; Y257-M283 HydrophobicContact CG-CE 3.95Å; M279-M283 WeakPolarHBondContact O-CG 3.41Å; M279-M283 PolarHBondContact O-N 2.9Å; M279-M283 HydrophobicContact SD-CE 3.99Å; M279-M283 HydrophobicContact SD-CG 4.45Å; G280-M283 PolarHBondContact O-N 3.46Å; A281-M283 VanDerWaalsContact C-N 3.28Å; A281-M283 PolarHBondContact O-N 3.4Å; M283-F288 HydrophobicContact CE-CE1 4.49Å; M283-F288 HydrophobicContact SD-CE1 4.23Å; M283-R289 WeakPolarHBondContact O-CD 3.4Å; M283-R289 VanDerWaalsContact O-CG 3.31Å; M283-R289 WeakPolarHBondContact O-CG 3.34Å
284	T	87.6	Confident	92.4	Very high	30 Å²	30	15.8 Å²	15.8	18%	0.184	8%	0.084	C	C	.	.	H	α-helix	trans	-81.4	-22.4	170.3	70.3	0	0	0	0	112.3	W75 G280 A281 L282 T286	W75-T284 HydrophobicContact CB-CG2 3.52Å; W75-T284 HydrophobicContact CG-CG2 4.18Å; G280-T284 PolarHBondContact O-N 3.02Å; A281-T284 PolarHBondContact O-N 3.2Å; A281-T284 PolarHBondContact O-OG1 2.98Å; L282-T284 PolarHBondContact O-N 3.19Å; T284-T286 PolarHBondContact O-N 3.45Å
285	D	89.8	Confident	92.2	Very high	35 Å²	35	15 Å²	15	19%	0.187	8%	0.08	C	C	.	.			trans	-72.1	128.9	179.5	179.5	56.7	0	0	0	112.5	L282 N287 F288 R289 F308	L282-D285 WeakPolarHBondContact O-CB 3.41Å; L282-D285 PolarHBondContact O-N 3.5Å; L282-D285 VanDerWaalsContact O-N 3.11Å; D285-N287 PolarHBondContact O-N 2.81Å; D285-N287 WeakPolarHBondContact OD2-CA 3.33Å; D285-N287 WeakPolarHBondContact OD2-CB 3.43Å; D285-N287 PolarHBondContact OD2-N 3.27Å; D285-F288 HydrophobicContact CB-CB 4.14Å; D285-F288 PolarHBondContact OD2-N 3.5Å; D285-R289 WeakPolarHBondContact O-CB 3.43Å; D285-R289 WeakPolarHBondContact O-CG 3.23Å; D285-R289 PolarHBondContact O-N 3.07Å; D285-F308 HydrophobicContact CB-CD2 3.83Å; D285-F308 HydrophobicContact CB-CE2 4.12Å
286	T	85.4	Confident	92	Very high	69 Å²	69	21 Å²	21	42%	0.423	11%	0.11	S	C	.	.	H	α-helix	trans	-69.9	-32.8	-176.2	60.7	0	0	0	0	112.8	T284 R290	T284-T286 PolarHBondContact O-N 3.45Å; T286-R290 WeakPolarHBondContact O-CB 3.3Å; T286-R290 PolarHBondContact O-N 2.9Å
287	N	85.6	Confident	91.7	Very high	38 Å²	38	24.4 Å²	24.4	20%	0.203	13%	0.128	C	C	.	.	H	α-helix	trans	-73	-47.3	179	-73.2	-47.5	0	0	0	110.6	D285 R289 R290 I291	D285-N287 PolarHBondContact O-N 2.81Å; D285-N287 WeakPolarHBondContact OD2-CA 3.33Å; D285-N287 WeakPolarHBondContact OD2-CB 3.43Å; D285-N287 PolarHBondContact OD2-N 3.27Å; N287-R289 PolarHBondContact O-N 3.32Å; N287-R290 WeakPolarHBondContact O-CB 3.49Å; N287-R290 PolarHBondContact O-N 2.83Å; N287-R290 PolarHBondContact OD1-NH2 3.42Å; N287-I291 WeakPolarHBondContact O-CG1 3.14Å; N287-I291 PolarHBondContact O-N 3.12Å
288	F	91.3	Very high	91.4	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-45.1	176	-175.7	-96.5	0	0	0	111.3	L109 M279 L282 M283 D285 R290 I291 A292 L301 I305	L109-F288 HydrophobicContact CD1-CZ 4.48Å; M279-F288 HydrophobicContact SD-CE1 4.48Å; L282-F288 HydrophobicContact CB-CD1 3.81Å; L282-F288 HydrophobicContact CB-CD2 4.44Å; L282-F288 HydrophobicContact CB-CE1 4.01Å; L282-F288 HydrophobicContact CB-CG 4.04Å; L282-F288 HydrophobicContact CB-CZ 4.42Å; L282-F288 HydrophobicContact CD1-CE2 4.49Å; L282-F288 HydrophobicContact CD2-CB 4.26Å; L282-F288 HydrophobicContact CD2-CD2 3.84Å; L282-F288 HydrophobicContact CD2-CE2 4.35Å; L282-F288 HydrophobicContact CD2-CG 3.97Å; L282-F288 WeakPolarHBondContact O-CB 3.48Å; L282-F288 VanDerWaalsContact O-CD1 3.31Å; L282-F288 WeakPolarHBondContact O-CD1 3.32Å; M283-F288 HydrophobicContact CE-CE1 4.49Å; M283-F288 HydrophobicContact SD-CE1 4.23Å; D285-F288 HydrophobicContact CB-CB 4.14Å; D285-F288 PolarHBondContact OD2-N 3.5Å; F288-R290 VanDerWaalsContact C-N 3.29Å; F288-R290 PolarHBondContact O-N 3.03Å; F288-I291 CarbonylContact O-C 3.54Å; F288-I291 WeakPolarHBondContact O-CA 3.29Å; F288-I291 PolarHBondContact O-N 3.46Å; F288-A292 HydrophobicContact CE1-CB 4.25Å; F288-A292 WeakPolarHBondContact O-CB 3.42Å; F288-A292 PolarHBondContact O-N 3.08Å; F288-L301 HydrophobicContact CE2-CD1 3.94Å; F288-L301 HydrophobicContact CE2-CG 4.41Å; F288-L301 HydrophobicContact CZ-CD1 3.7Å; F288-L301 HydrophobicContact CZ-CG 4.29Å; F288-I305 HydrophobicContact CE2-CG1 4.12Å
289	R	90.8	Very high	91	Very high	10 Å²	10	26.7 Å²	26.7	4%	0.038	15%	0.151	C	C	.	.	H	α-helix	trans	-57.8	-41	175.3	-77	-162.8	-62.2	-143	14.8	113.2	P50 I53 Y212 M283 D285 N287 I291 A292 A293	P50-R289 HydrophobicContact CB-CB 4.34Å; P50-R289 HydrophobicContact CG-CB 4.15Å; I53-R289 HydrophobicContact CG1-CG 4.24Å; Y212-R289 PolarHBondContact OH-NH1 3.35Å; M283-R289 WeakPolarHBondContact O-CD 3.4Å; M283-R289 VanDerWaalsContact O-CG 3.31Å; M283-R289 WeakPolarHBondContact O-CG 3.34Å; D285-R289 WeakPolarHBondContact O-CB 3.43Å; D285-R289 WeakPolarHBondContact O-CG 3.23Å; D285-R289 PolarHBondContact O-N 3.07Å; N287-R289 PolarHBondContact O-N 3.32Å; R289-I291 VanDerWaalsContact C-N 3.34Å; R289-A292 PolarHBondContact O-N 3.2Å; R289-A293 WeakPolarHBondContact O-CB 3.5Å; R289-A293 PolarHBondContact O-N 3.45Å
290	R	87	Confident	90.6	Very high	52 Å²	52	26.9 Å²	26.9	20%	0.196	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-42.1	175.8	-179.9	171.1	56.2	150.8	-9.4	110.9	K36 P50 T286 N287 F288 A293 Y294	K36-R290 VanDerWaalsContact CG-NH1 3.32Å; P50-R290 HydrophobicContact CG-CB 4.34Å; T286-R290 WeakPolarHBondContact O-CB 3.3Å; T286-R290 PolarHBondContact O-N 2.9Å; N287-R290 WeakPolarHBondContact O-CB 3.49Å; N287-R290 PolarHBondContact O-N 2.83Å; N287-R290 PolarHBondContact OD1-NH2 3.42Å; F288-R290 VanDerWaalsContact C-N 3.29Å; F288-R290 PolarHBondContact O-N 3.03Å; R290-A293 PolarHBondContact O-N 3.29Å; R290-Y294 HydrophobicContact CG-CD2 4.07Å; R290-Y294 HydrophobicContact CG-CE2 4.1Å; R290-Y294 WeakPolarHBondContact O-CD2 3.22Å; R290-Y294 PolarHBondContact O-N 3.25Å
291	I	89.5	Confident	90.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-50	175.6	-68.4	167.2	0	0	0	110.4	V35 N287 F288 R289 A293 Y294 A295 E300 Y303 G304 E307	V35-I291 HydrophobicContact CG1-CB 4.35Å; V35-I291 HydrophobicContact CG1-CG1 4.24Å; V35-I291 HydrophobicContact CG1-CG2 4.37Å; N287-I291 WeakPolarHBondContact O-CG1 3.14Å; N287-I291 PolarHBondContact O-N 3.12Å; F288-I291 CarbonylContact O-C 3.54Å; F288-I291 WeakPolarHBondContact O-CA 3.29Å; F288-I291 PolarHBondContact O-N 3.46Å; R289-I291 VanDerWaalsContact C-N 3.34Å; I291-A293 PolarHBondContact O-N 3.24Å; I291-Y294 CarbonylContact O-C 3.49Å; I291-Y294 PolarHBondContact O-N 3.41Å; I291-A295 VanDerWaalsContact O-CB 3.25Å; I291-A295 WeakPolarHBondContact O-CB 3.35Å; I291-A295 PolarHBondContact O-N 3.37Å; I291-E300 WeakPolarHBondContact CG2-O 3.33Å; I291-Y303 HydrophobicContact CD1-CD1 4.2Å; I291-G304 VanDerWaalsContact CD1-CA 3.46Å; I291-E307 WeakPolarHBondContact CD1-OE2 3.41Å
292	A	92.6	Very high	90	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.6	-34.3	177.6	0	0	0	0	0	112.4	F236 R238 Y257 F288 R289 L301	F236-A292 HydrophobicContact CZ-CB 4.39Å; R238-A292 VanDerWaalsContact CD-O 3.22Å; R238-A292 WeakPolarHBondContact CD-O 3.32Å; R238-A292 PolarHBondContact NH1-O 3.25Å; Y257-A292 HydrophobicContact CE1-CB 4.04Å; F288-A292 HydrophobicContact CE1-CB 4.25Å; F288-A292 WeakPolarHBondContact O-CB 3.42Å; F288-A292 PolarHBondContact O-N 3.08Å; R289-A292 PolarHBondContact O-N 3.2Å; A292-L301 HydrophobicContact CB-CD1 3.99Å
293	A	90.5	Very high	89.6	Confident	28 Å²	28	27.5 Å²	27.5	23%	0.231	16%	0.155	C	C	.	.	H	α-helix	trans	-69.4	-30.1	177	0	0	0	0	0	113.9	R238 Y257 R289 R290 I291	R238-A293 VanDerWaalsContact NH1-C 3.28Å; R238-A293 PolarHBondContact NH1-O 3.22Å; R238-A293 VanDerWaalsContact NH1-O 3.13Å; Y257-A293 WeakPolarHBondContact OH-CA 3.28Å; Y257-A293 PolarHBondContact OH-N 3.31Å; R289-A293 WeakPolarHBondContact O-CB 3.5Å; R289-A293 PolarHBondContact O-N 3.45Å; R290-A293 PolarHBondContact O-N 3.29Å; I291-A293 PolarHBondContact O-N 3.24Å
294	Y	88.7	Confident	89.3	Confident	25 Å²	25	27.3 Å²	27.3	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-118.8	-7.4	-171	-61.3	-58.4	0	0	0	115.1	Q44 R290 I291	Q44-Y294 PolarHBondContact NE2-OH 3.39Å; Q44-Y294 PolarHBondContact OE1-OH 3.38Å; R290-Y294 HydrophobicContact CG-CD2 4.07Å; R290-Y294 HydrophobicContact CG-CE2 4.1Å; R290-Y294 WeakPolarHBondContact O-CD2 3.22Å; R290-Y294 PolarHBondContact O-N 3.25Å; I291-Y294 CarbonylContact O-C 3.49Å; I291-Y294 PolarHBondContact O-N 3.41Å
295	A	90.9	Very high	89.5	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.008	15%	0.145	C	C	.	.			trans	-56.5	140.7	177.1	0	0	0	0	0	110.4	L116 R238 I291 E300 L301	L116-A295 WeakPolarHBondContact CD1-O 3.42Å; R238-A295 PolarHBondContact NH1-O 2.97Å; R238-A295 PolarHBondContact NH2-O 2.79Å; I291-A295 VanDerWaalsContact O-CB 3.25Å; I291-A295 WeakPolarHBondContact O-CB 3.35Å; I291-A295 PolarHBondContact O-N 3.37Å; A295-E300 VanDerWaalsContact CA-OE2 3.3Å; A295-E300 WeakPolarHBondContact CA-OE2 3.48Å; A295-E300 HydrophobicContact CB-CB 4.05Å; A295-L301 HydrophobicContact CB-CB 4.41Å
296	M	90.9	Very high	89.4	Confident	127 Å²	127	24.7 Å²	24.7	63%	0.626	14%	0.139	S	C	*	.			trans	-109.2	-19.8	176.9	-71.1	-176	64.6	0	0	112.7	R38 L116 E300	R38-M296 PolarHBondContact NH1-SD 3.15Å; L116-M296 VanDerWaalsContact CD1-C 3.41Å; L116-M296 WeakPolarHBondContact CD1-O 3.5Å; M296-E300 PolarHBondContact N-OE2 3.25Å
297	D	91.5	Very high	89.4	Confident	70 Å²	70	22.3 Å²	22.3	37%	0.374	12%	0.123	S	C	.	.	S	Bend	trans	-146.9	176.7	-178.9	65.1	32.2	0	0	0	111.7	A299 E300 L301	D297-A299 VanDerWaalsContact C-N 3.29Å; D297-A299 PolarHBondContact O-N 2.85Å; D297-A299 WeakPolarHBondContact OD1-CA 3.43Å; D297-A299 WeakPolarHBondContact OD1-CB 3.37Å; D297-A299 PolarHBondContact OD1-N 3.46Å; D297-E300 WeakPolarHBondContact OD1-CG 3.4Å; D297-E300 PolarHBondContact OD1-N 3Å; D297-L301 PolarHBondContact O-N 3.11Å
298	A	91	Very high	89.6	Confident	22 Å²	22	22.2 Å²	22.2	18%	0.182	12%	0.121	C	C	.	.	H	α-helix	trans	-70.2	-26.7	-178.4	0	0	0	0	0	112.8	L109 L114 S302	L109-A298 VanDerWaalsContact O-CB 3.32Å; L109-A298 WeakPolarHBondContact O-CB 3.45Å; L114-A298 HydrophobicContact CD2-CB 3.93Å; A298-S302 VanDerWaalsContact O-CB 3.28Å; A298-S302 WeakPolarHBondContact O-CB 3.5Å; A298-S302 PolarHBondContact O-N 2.84Å; A298-S302 PolarHBondContact O-OG 2.87Å
299	A	88.3	Confident	89.5	Confident	47 Å²	47	23.6 Å²	23.6	39%	0.388	13%	0.127	S	C	.	.	H	α-helix	trans	-70.2	-43	-179.6	0	0	0	0	0	110.9	D297 S302 Y303	D297-A299 VanDerWaalsContact C-N 3.29Å; D297-A299 PolarHBondContact O-N 2.85Å; D297-A299 WeakPolarHBondContact OD1-CA 3.43Å; D297-A299 WeakPolarHBondContact OD1-CB 3.37Å; D297-A299 PolarHBondContact OD1-N 3.46Å; A299-S302 PolarHBondContact O-N 2.77Å; A299-Y303 PolarHBondContact O-N 3.34Å
300	E	88.8	Confident	89.1	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.019	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-42.4	174.7	-72.8	179.5	171.8	0	0	111.8	L31 V35 R38 I291 A295 M296 D297 S302 Y303 G304	L31-E300 HydrophobicContact CD2-CG 3.89Å; V35-E300 HydrophobicContact CG2-CB 3.83Å; V35-E300 VanDerWaalsContact CG2-CD 3.46Å; V35-E300 HydrophobicContact CG2-CG 3.67Å; R38-E300 IonicContact CZ-OE1 2.76Å; R38-E300 VanDerWaalsContact CZ-OE1 3.25Å; R38-E300 IonicContact CZ-OE2 3.19Å; R38-E300 IonicContact NH1-OE1 2.72Å; R38-E300 PolarHBondContact NH1-OE1 2.92Å; R38-E300 IonicContact NH1-OE2 2.73Å; R38-E300 PolarHBondContact NH1-OE2 3.46Å; R38-E300 IonicContact NH2-OE1 3.11Å; R38-E300 PolarHBondContact NH2-OE1 3.28Å; I291-E300 WeakPolarHBondContact CG2-O 3.33Å; A295-E300 VanDerWaalsContact CA-OE2 3.3Å; A295-E300 WeakPolarHBondContact CA-OE2 3.48Å; A295-E300 HydrophobicContact CB-CB 4.05Å; M296-E300 PolarHBondContact N-OE2 3.25Å; D297-E300 WeakPolarHBondContact OD1-CG 3.4Å; D297-E300 PolarHBondContact OD1-N 3Å; E300-S302 VanDerWaalsContact C-N 3.35Å; E300-Y303 WeakPolarHBondContact O-CB 3.31Å; E300-Y303 PolarHBondContact O-N 2.7Å; E300-G304 PolarHBondContact O-N 3.17Å
301	L	90.3	Very high	88.9	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-65.7	-39.8	176.9	-168.7	64.4	0	0	0	111.9	L109 L114 F236 F288 A292 A295 D297 Y303 G304	L109-L301 HydrophobicContact CB-CD2 4.34Å; L109-L301 HydrophobicContact CD1-CD2 3.74Å; L109-L301 HydrophobicContact CD1-CG 3.82Å; L109-L301 HydrophobicContact CD2-CD2 3.9Å; L109-L301 HydrophobicContact CG-CD2 4.21Å; L114-L301 HydrophobicContact CD1-CD2 4.04Å; F236-L301 HydrophobicContact CB-CD2 4.48Å; F236-L301 HydrophobicContact CD1-CD2 3.59Å; F236-L301 HydrophobicContact CD2-CD2 4.27Å; F236-L301 HydrophobicContact CE1-CD1 4.36Å; F236-L301 HydrophobicContact CE1-CD2 3.76Å; F236-L301 HydrophobicContact CE2-CD2 4.4Å; F236-L301 HydrophobicContact CG-CD2 3.85Å; F236-L301 HydrophobicContact CZ-CD1 4.34Å; F236-L301 HydrophobicContact CZ-CD2 4.16Å; F288-L301 HydrophobicContact CE2-CD1 3.94Å; F288-L301 HydrophobicContact CE2-CG 4.41Å; F288-L301 HydrophobicContact CZ-CD1 3.7Å; F288-L301 HydrophobicContact CZ-CG 4.29Å; A292-L301 HydrophobicContact CB-CD1 3.99Å; A295-L301 HydrophobicContact CB-CB 4.41Å; D297-L301 PolarHBondContact O-N 3.11Å; L301-Y303 VanDerWaalsContact C-N 3.31Å; L301-Y303 PolarHBondContact O-N 3.09Å; L301-G304 PolarHBondContact O-N 2.98Å; L301-G304 VanDerWaalsContact O-N 3.09Å
302	S	89.8	Confident	88.8	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-66.5	-32.8	177	-59.7	0	0	0	0	112.9	R110 A298 A299 E300 G304 I305 D306	R110-S302 WeakPolarHBondContact CG-OG 3.43Å; A298-S302 VanDerWaalsContact O-CB 3.28Å; A298-S302 WeakPolarHBondContact O-CB 3.5Å; A298-S302 PolarHBondContact O-N 2.84Å; A298-S302 PolarHBondContact O-OG 2.87Å; A299-S302 PolarHBondContact O-N 2.77Å; E300-S302 VanDerWaalsContact C-N 3.35Å; S302-G304 PolarHBondContact O-N 3.37Å; S302-I305 WeakPolarHBondContact O-CB 3.48Å; S302-I305 PolarHBondContact O-N 3.05Å; S302-I305 VanDerWaalsContact O-N 3.11Å; S302-D306 PolarHBondContact O-N 3.33Å
303	Y	86.1	Confident	88.3	Confident	10 Å²	10	38.8 Å²	38.8	4%	0.039	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-33.6	172.2	178.8	-85.2	0	0	0	111.5	Q23 L31 A32 I291 A299 E300 L301 I305 D306 E307	Q23-Y303 HydrophobicContact CB-CD2 3.93Å; Q23-Y303 HydrophobicContact CB-CE2 4.02Å; L31-Y303 HydrophobicContact CB-CD1 4.48Å; L31-Y303 HydrophobicContact CB-CD2 4.07Å; L31-Y303 HydrophobicContact CB-CG 3.95Å; L31-Y303 HydrophobicContact CD1-CD2 4.45Å; A32-Y303 HydrophobicContact CB-CD1 4.11Å; A32-Y303 HydrophobicContact CB-CE1 3.22Å; A32-Y303 WeakPolarHBondContact CB-OH 3.34Å; I291-Y303 HydrophobicContact CD1-CD1 4.2Å; A299-Y303 PolarHBondContact O-N 3.34Å; E300-Y303 WeakPolarHBondContact O-CB 3.31Å; E300-Y303 PolarHBondContact O-N 2.7Å; L301-Y303 VanDerWaalsContact C-N 3.31Å; L301-Y303 PolarHBondContact O-N 3.09Å; Y303-I305 PolarHBondContact O-N 3.06Å; Y303-D306 WeakPolarHBondContact O-CA 3.48Å; Y303-D306 WeakPolarHBondContact O-CB 3.48Å; Y303-D306 PolarHBondContact O-N 3.17Å; Y303-E307 HydrophobicContact CE1-CB 4.31Å; Y303-E307 WeakPolarHBondContact CE1-OE2 3.46Å; Y303-E307 PolarHBondContact O-N 3.11Å
304	G	88.4	Confident	88	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-32.5	174.2	0	0	0	0	0	113.4	I291 E300 L301 S302 F308	I291-G304 VanDerWaalsContact CD1-CA 3.46Å; E300-G304 PolarHBondContact O-N 3.17Å; L301-G304 PolarHBondContact O-N 2.98Å; L301-G304 VanDerWaalsContact O-N 3.09Å; S302-G304 PolarHBondContact O-N 3.37Å; G304-F308 WeakPolarHBondContact O-CB 3.45Å; G304-F308 PolarHBondContact O-N 3.15Å
305	I	91.7	Very high	87.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.3	-38.9	172.7	-60.2	178	0	0	0	110.3	L102 L105 K106 L109 L282 F288 S302 Y303 F308 Q309	L102-I305 HydrophobicContact CB-CG2 4.38Å; L102-I305 HydrophobicContact CD2-CG2 4.33Å; L105-I305 HydrophobicContact CD2-CD1 4.46Å; L105-I305 HydrophobicContact CG-CD1 4.09Å; K106-I305 HydrophobicContact CB-CD1 3.91Å; K106-I305 HydrophobicContact CB-CG2 4.4Å; K106-I305 HydrophobicContact CG-CD1 4.4Å; L109-I305 HydrophobicContact CD1-CD1 3.6Å; L109-I305 HydrophobicContact CD1-CG1 4.42Å; L109-I305 HydrophobicContact CG-CD1 4.46Å; L282-I305 HydrophobicContact CD1-CD1 4.24Å; L282-I305 HydrophobicContact CD1-CG1 3.81Å; L282-I305 HydrophobicContact CD2-CG1 4.4Å; F288-I305 HydrophobicContact CE2-CG1 4.12Å; S302-I305 WeakPolarHBondContact O-CB 3.48Å; S302-I305 PolarHBondContact O-N 3.05Å; S302-I305 VanDerWaalsContact O-N 3.11Å; Y303-I305 PolarHBondContact O-N 3.06Å; I305-F308 PolarHBondContact O-N 3.37Å; I305-Q309 WeakPolarHBondContact O-CB 3.34Å; I305-Q309 PolarHBondContact O-N 2.87Å
306	D	88.5	Confident	87.2	Confident	9 Å²	9	49.9 Å²	49.9	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-41.1	178.2	-65.2	-4	0	0	0	111.5	L22 Q23 K106 S302 Y303 R310	L22-D306 HydrophobicContact CD1-CB 3.63Å; L22-D306 VanDerWaalsContact CD1-CG 3.47Å; L22-D306 WeakPolarHBondContact CD1-OD1 3.41Å; Q23-D306 PolarHBondContact N-OD2 3.06Å; K106-D306 WeakPolarHBondContact CE-OD1 3.19Å; K106-D306 IonicContact NZ-OD1 3.89Å; K106-D306 PolarHBondContact NZ-OD1 3.48Å; K106-D306 IonicContact NZ-OD2 2.74Å; K106-D306 PolarHBondContact NZ-OD2 3.22Å; S302-D306 PolarHBondContact O-N 3.33Å; Y303-D306 WeakPolarHBondContact O-CA 3.48Å; Y303-D306 WeakPolarHBondContact O-CB 3.48Å; Y303-D306 PolarHBondContact O-N 3.17Å; D306-R310 WeakPolarHBondContact O-CB 3.35Å; D306-R310 PolarHBondContact O-N 3.06Å
307	E	85.5	Confident	86.4	Confident	19 Å²	19	50.2 Å²	50.2	9%	0.089	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-46.3	174.4	-168.7	167.6	179.7	0	0	110.7	K36 I291 Y303 Q309 R310 D311	K36-E307 IonicContact NZ-OE1 3.36Å; K36-E307 PolarHBondContact NZ-OE1 3.15Å; K36-E307 IonicContact NZ-OE2 3.25Å; I291-E307 WeakPolarHBondContact CD1-OE2 3.41Å; Y303-E307 HydrophobicContact CE1-CB 4.31Å; Y303-E307 WeakPolarHBondContact CE1-OE2 3.46Å; Y303-E307 PolarHBondContact O-N 3.11Å; E307-Q309 PolarHBondContact O-N 2.95Å; E307-R310 WeakPolarHBondContact O-CB 3.3Å; E307-R310 PolarHBondContact O-N 2.75Å; E307-D311 PolarHBondContact O-N 2.87Å
308	F	89.5	Confident	85.6	Confident	37 Å²	37	49.6 Å²	49.6	16%	0.162	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-43.9	175.6	-179.7	-96.3	0	0	0	112.6	L102 A281 L282 D285 G304 I305 R310 D311 S312	L102-F308 HydrophobicContact CD1-CD1 4.11Å; L102-F308 HydrophobicContact CD1-CE1 4.08Å; L102-F308 HydrophobicContact CD2-CD1 3.96Å; L102-F308 HydrophobicContact CD2-CE1 4.01Å; A281-F308 HydrophobicContact CB-CZ 4.44Å; L282-F308 HydrophobicContact CD2-CB 3.43Å; L282-F308 VanDerWaalsContact CD2-CB 3.43Å; L282-F308 HydrophobicContact CD2-CD1 3.69Å; L282-F308 HydrophobicContact CD2-CD2 3.84Å; L282-F308 HydrophobicContact CD2-CE1 4.39Å; L282-F308 HydrophobicContact CD2-CG 3.37Å; L282-F308 HydrophobicContact CG-CD1 4.33Å; L282-F308 HydrophobicContact CG-CG 4.36Å; D285-F308 HydrophobicContact CB-CD2 3.83Å; D285-F308 HydrophobicContact CB-CE2 4.12Å; G304-F308 WeakPolarHBondContact O-CB 3.45Å; G304-F308 PolarHBondContact O-N 3.15Å; I305-F308 PolarHBondContact O-N 3.37Å; F308-R310 VanDerWaalsContact C-N 3.3Å; F308-R310 PolarHBondContact O-N 3.05Å; F308-D311 PolarHBondContact O-N 3.4Å; F308-S312 WeakPolarHBondContact O-CB 3.35Å; F308-S312 PolarHBondContact O-N 3.46Å
309	Q	88.5	Confident	84.4	Confident	30 Å²	30	57.8 Å²	57.8	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-65.6	-35.7	179.3	-175.4	173	14.3	0	0	111.8	F103 I305 E307 D311 S312	F103-Q309 VanDerWaalsContact CE1-NE2 3.33Å; I305-Q309 WeakPolarHBondContact O-CB 3.34Å; I305-Q309 PolarHBondContact O-N 2.87Å; E307-Q309 PolarHBondContact O-N 2.95Å; Q309-D311 VanDerWaalsContact C-N 3.3Å; Q309-D311 PolarHBondContact O-N 3.33Å; Q309-S312 WeakPolarHBondContact CA-OG 3.45Å; Q309-S312 PolarHBondContact O-N 3.4Å; Q309-S312 PolarHBondContact O-OG 3.33Å
310	R	83.5	Confident	83.5	Confident	75 Å²	75	61.3 Å²	61.3	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-39.8	175.8	-178.8	-176	-179.2	131.3	13.7	112.3	D306 E307 F308 S312 I345	D306-R310 WeakPolarHBondContact O-CB 3.35Å; D306-R310 PolarHBondContact O-N 3.06Å; E307-R310 WeakPolarHBondContact O-CB 3.3Å; E307-R310 PolarHBondContact O-N 2.75Å; F308-R310 VanDerWaalsContact C-N 3.3Å; F308-R310 PolarHBondContact O-N 3.05Å; R310-S312 VanDerWaalsContact C-N 3.29Å; R310-I345 VanDerWaalsContact NH2-CG2 3.27Å; R310-I345 PolarHBondContact NH2-O 2.86Å
311	D	82.6	Confident	82.6	Confident	106 Å²	106	66.7 Å²	66.7	57%	0.567	36%	0.356	S	S	*	.	H	α-helix	trans	-86.5	-4.6	-179.7	-65.3	-13.8	0	0	0	112.2	E307 F308 Q309	E307-D311 PolarHBondContact O-N 2.87Å; F308-D311 PolarHBondContact O-N 3.4Å; Q309-D311 VanDerWaalsContact C-N 3.3Å; Q309-D311 PolarHBondContact O-N 3.33Å
312	S	86.4	Confident	81.7	Confident	45 Å²	45	70.3 Å²	70.3	32%	0.315	38%	0.375	S	S	.	.			trans	-82	143.3	177	78.1	0	0	0	0	112.3	F308 Q309 R310	F308-S312 WeakPolarHBondContact O-CB 3.35Å; F308-S312 PolarHBondContact O-N 3.46Å; Q309-S312 WeakPolarHBondContact CA-OG 3.45Å; Q309-S312 PolarHBondContact O-N 3.4Å; Q309-S312 PolarHBondContact O-OG 3.33Å; R310-S312 VanDerWaalsContact C-N 3.29Å
313	I	84	Confident	80.8	Confident	155 Å²	155	74.7 Å²	74.7	80%	0.795	41%	0.406	S	S	*	.			trans	-99.3	127.6	177.5	-62.2	171.5	0	0	0	108.8
314	V	83.7	Confident	80.2	Confident	115 Å²	115	76.6 Å²	76.6	70%	0.697	42%	0.417	S	S	*	.			trans	-90.1	116	175.2	-178.2	0	0	0	0	109.4
315	I	80.9	Confident	79.4	Confident	76 Å²	76	81.5 Å²	81.5	39%	0.39	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-88.8	124.6	174.1	-59	174.8	0	0	0	108.3	W320	I315-W320 HydrophobicContact CG2-CB 4.17Å; I315-W320 HydrophobicContact CG2-CG 3.91Å
316	P	80.7	Confident	78.6	Confident	97 Å²	97	84.7 Å²	84.7	63%	0.63	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-57	147.1	176.9	-25	33.5	0	0	0	112.5
317	P	74.8	Confident	77.9	Confident	134 Å²	134	92.1 Å²	92.1	87%	0.87	49%	0.49	S	S	*	.	S	Bend	trans	-62.8	151.3	173.8	28.7	-34.8	0	0	0	110.9
318	G	73.8	Confident	77.1	Confident	57 Å²	57	93 Å²	93	59%	0.588	50%	0.497	S	S	*	.	S	Bend	trans	153.6	-103.7	179.9	0	0	0	0	0	111.7
319	K	67.3	Low	76	Confident	193 Å²	193	94.5 Å²	94.5	84%	0.839	52%	0.516	S	S	*	.	S	Bend	trans	-81.7	-12.7	-179.8	-64.5	-171.6	178.2	-178.4	0	114.3	N324	K319-N324 PolarHBondContact O-ND2 3.43Å
320	W	69.7	Low	74.5	Confident	122 Å²	122	100.4 Å²	100.4	46%	0.462	55%	0.549	S	S	.	.			trans	-98.6	123.1	-177.2	-70.6	97.2	0	0	0	110.6	I315 N324	I315-W320 HydrophobicContact CG2-CB 4.17Å; I315-W320 HydrophobicContact CG2-CG 3.91Å; W320-N324 HydrophobicContact CE3-CB 3.86Å; W320-N324 HydrophobicContact CZ3-CB 4.11Å
321	H	68.8	Low	73	Confident	117 Å²	117	102.5 Å²	102.5	54%	0.542	56%	0.562	S	S	.	*			trans	-114.9	159	171.5	-60.5	-75.8	0	0	0	110.1	S323 N324	H321-S323 WeakPolarHBondContact CB-OG 3.49Å; H321-S323 PolarHBondContact O-N 3.11Å; H321-S323 VanDerWaalsContact O-N 3.12Å; H321-N324 WeakPolarHBondContact CB-OD1 3.28Å; H321-N324 PolarHBondContact N-OD1 3.13Å; H321-N324 VanDerWaalsContact O-CB 3.27Å; H321-N324 WeakPolarHBondContact O-CB 3.26Å; H321-N324 PolarHBondContact O-N 2.92Å; H321-N324 PolarHBondContact O-OD1 3.17Å
322	L	72.5	Confident	71.5	Confident	76 Å²	76	98.8 Å²	98.8	40%	0.398	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.8	175.8	-72.1	159.2	0	0	0	113.5	L96 T98 M274	L96-L322 HydrophobicContact CB-CD2 4.3Å; L96-L322 WeakPolarHBondContact O-CD2 3.43Å; T98-L322 HydrophobicContact CG2-CD1 4.03Å; T98-L322 HydrophobicContact CG2-CD2 4Å; T98-L322 HydrophobicContact CG2-CG 4.5Å; M274-L322 HydrophobicContact CE-CD1 3.48Å; M274-L322 VanDerWaalsContact CE-CD1 3.48Å; M274-L322 HydrophobicContact CE-CD2 3.75Å; M274-L322 HydrophobicContact CE-CG 4.19Å
323	S	70.6	Confident	69.5	Low	95 Å²	95	102 Å²	102	66%	0.664	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-12.5	172.7	54.3	0	0	0	0	113.5	H321 E325	H321-S323 WeakPolarHBondContact CB-OG 3.49Å; H321-S323 PolarHBondContact O-N 3.11Å; H321-S323 VanDerWaalsContact O-N 3.12Å; S323-E325 PolarHBondContact O-N 3.46Å
324	N	73.8	Confident	67.9	Low	51 Å²	51	102 Å²	102	27%	0.273	57%	0.565	S	S	.	*			trans	-72.2	123.5	175.7	-63.1	30.2	0	0	0	108.1	L96 K319 W320 H321	L96-N324 WeakPolarHBondContact CD1-O 3.4Å; K319-N324 PolarHBondContact O-ND2 3.43Å; W320-N324 HydrophobicContact CE3-CB 3.86Å; W320-N324 HydrophobicContact CZ3-CB 4.11Å; H321-N324 WeakPolarHBondContact CB-OD1 3.28Å; H321-N324 PolarHBondContact N-OD1 3.13Å; H321-N324 VanDerWaalsContact O-CB 3.27Å; H321-N324 WeakPolarHBondContact O-CB 3.26Å; H321-N324 PolarHBondContact O-N 2.92Å; H321-N324 PolarHBondContact O-OD1 3.17Å
325	E	71.2	Confident	66.4	Low	103 Å²	103	99.8 Å²	99.8	48%	0.481	55%	0.548	S	S	.	.			trans	-88.3	114.4	174.3	-65.5	-179.7	178.5	0	0	108.3	H93 S323	H93-E325 HydrophobicContact CB-CB 4.09Å; S323-E325 PolarHBondContact O-N 3.46Å
326	M	73.4	Confident	65	Low	67 Å²	67	101.9 Å²	101.9	33%	0.33	56%	0.556	S	S	.	*	B	Isolated β-bridge	trans	-88.8	117.7	174.1	-171.3	166.3	77.8	0	0	108.5	V94	V94-M326 HydrophobicContact CB-CB 4.31Å; V94-M326 HydrophobicContact CB-CE 3.81Å; V94-M326 HydrophobicContact CG1-CE 3.71Å; V94-M326 HydrophobicContact CG2-CE 4.01Å; V94-M326 PolarHBondContact N-O 3.01Å
327	E	74.8	Confident	63.6	Low	164 Å²	164	102.4 Å²	102.4	77%	0.766	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-62.9	142.5	178.7	-66.8	-174.9	164.9	0	0	110.6	A329	E327-A329 PolarHBondContact O-N 2.86Å
328	P	68.8	Low	62.5	Low	39 Å²	39	102.5 Å²	102.5	25%	0.253	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-53.2	133	170	-27.9	37.6	0	0	0	111.6	Y78 P92	Y78-P328 HydrophobicContact CD1-CB 4.39Å; Y78-P328 HydrophobicContact CD1-CG 4.05Å; Y78-P328 HydrophobicContact CD2-CB 4.23Å; Y78-P328 HydrophobicContact CD2-CG 3.76Å; Y78-P328 HydrophobicContact CE1-CB 3.88Å; Y78-P328 HydrophobicContact CE1-CG 4.06Å; Y78-P328 HydrophobicContact CE2-CB 3.68Å; Y78-P328 HydrophobicContact CE2-CG 3.73Å; Y78-P328 HydrophobicContact CG-CG 3.92Å; Y78-P328 VanDerWaalsContact CZ-CB 3.5Å; P92-P328 WeakPolarHBondContact O-CD 2.92Å
329	A	65.8	Low	61.4	Low	67 Å²	67	108.5 Å²	108.5	55%	0.554	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-68	140.2	169.3	0	0	0	0	0	109.9	E327 E331	E327-A329 PolarHBondContact O-N 2.86Å; A329-E331 PolarHBondContact O-N 3.28Å; A329-E331 VanDerWaalsContact O-N 3.12Å
330	D	56.8	Low	60.6	Low	154 Å²	154	106.7 Å²	106.7	82%	0.824	54%	0.536	S	S	*	.			trans	-62.3	114.3	167.8	-77.6	-37.3	0	0	0	108.7	G332 I335	D330-G332 PolarHBondContact O-N 3.26Å; D330-I335 WeakPolarHBondContact O-CD1 3.48Å
331	E	53.3	Low	59.5	Low	119 Å²	119	107.9 Å²	107.9	56%	0.556	55%	0.545	S	S	*	.			trans	-71.5	76.5	174.6	-73.7	179.1	174.4	0	0	109.3	K77 A329	K77-E331 VanDerWaalsContact CE-OE1 3.32Å; K77-E331 WeakPolarHBondContact CE-OE1 3.37Å; K77-E331 IonicContact NZ-OE1 3.91Å; K77-E331 PolarHBondContact NZ-OE1 2.75Å; K77-E331 IonicContact NZ-OE2 2.79Å; K77-E331 PolarHBondContact NZ-OE2 2.78Å; A329-E331 PolarHBondContact O-N 3.28Å; A329-E331 VanDerWaalsContact O-N 3.12Å
332	G	50.4	Low	58.2	Low	28 Å²	28	104.6 Å²	104.6	29%	0.289	54%	0.538	S	S	.	.			trans	-67.2	154.1	166	0	0	0	0	0	110.8	D330 E334 I335	D330-G332 PolarHBondContact O-N 3.26Å; G332-E334 PolarHBondContact O-N 3.15Å; G332-I335 PolarHBondContact O-N 2.89Å; G332-I335 VanDerWaalsContact O-N 3.08Å
333	P	45.4	Very low	56.7	Low	112 Å²	112	106.1 Å²	106.1	73%	0.727	55%	0.552	S	S	*	*	H	α-helix	trans	-56.4	-25.5	176.5	22	-31.9	0	0	0	113.1	E336 E337	P333-E336 PolarHBondContact O-N 2.75Å; P333-E337 PolarHBondContact O-N 3.35Å
334	E	50.4	Low	55.4	Low	157 Å²	157	106.7 Å²	106.7	73%	0.734	55%	0.552	S	S	*	*	H	α-helix	trans	-62.3	-41.1	176.4	-66.1	-178.7	169.7	0	0	112.7	G332 E337 E338	G332-E334 PolarHBondContact O-N 3.15Å; E334-E337 PolarHBondContact O-N 2.89Å; E334-E338 PolarHBondContact O-N 3.1Å
335	I	51.1	Low	53.9	Low	67 Å²	67	109.7 Å²	109.7	34%	0.344	57%	0.567	S	S	.	*	H	α-helix	trans	-73.2	-35.2	-178.8	-58	175.9	0	0	0	110.7	D330 G332 E338 R339	D330-I335 WeakPolarHBondContact O-CD1 3.48Å; G332-I335 PolarHBondContact O-N 2.89Å; G332-I335 VanDerWaalsContact O-N 3.08Å; I335-E338 PolarHBondContact O-N 2.92Å; I335-R339 PolarHBondContact O-N 3.41Å
336	E	51.2	Low	52.3	Low	120 Å²	120	108.5 Å²	108.5	56%	0.561	57%	0.569	S	S	*	*	H	α-helix	trans	-70	-36.7	176.1	-151.2	-165.5	-139.1	0	0	111.3	P333 R339 K340	P333-E336 PolarHBondContact O-N 2.75Å; E336-R339 PolarHBondContact O-N 3.12Å; E336-K340 WeakPolarHBondContact O-CG 3.4Å; E336-K340 PolarHBondContact O-N 2.8Å; E336-K340 IonicContact OE2-NZ 2.73Å; E336-K340 PolarHBondContact OE2-NZ 2.8Å
337	E	52.4	Low	50.7	Low	108 Å²	108	110.1 Å²	110.1	51%	0.505	59%	0.587	S	S	.	*	H	α-helix	trans	-64	-42.7	168	-87	-159.1	178.5	0	0	112.1	P333 E334 R339 K340 K341	P333-E337 PolarHBondContact O-N 3.35Å; E334-E337 PolarHBondContact O-N 2.89Å; E337-R339 VanDerWaalsContact C-N 3.35Å; E337-R339 PolarHBondContact O-N 3.39Å; E337-K340 PolarHBondContact O-N 2.78Å; E337-K341 VanDerWaalsContact O-CB 3.31Å; E337-K341 WeakPolarHBondContact O-CB 3.31Å; E337-K341 VanDerWaalsContact O-CG 3.23Å; E337-K341 WeakPolarHBondContact O-CG 3.42Å; E337-K341 PolarHBondContact O-N 2.82Å; E337-K341 IonicContact OE2-NZ 3.47Å; E337-K341 PolarHBondContact OE2-NZ 3.27Å
338	E	51.9	Low	48.9	Very low	137 Å²	137	109.8 Å²	109.8	64%	0.64	58%	0.583	S	S	*	*	H	α-helix	trans	-63.4	-38.1	174.8	-84.9	-165.5	160.2	0	0	111.9	E334 I335 K341 A342	E334-E338 PolarHBondContact O-N 3.1Å; I335-E338 PolarHBondContact O-N 2.92Å; E338-K341 CarbonylContact O-C 3.58Å; E338-K341 PolarHBondContact O-N 3.46Å; E338-A342 VanDerWaalsContact O-CA 3.27Å; E338-A342 WeakPolarHBondContact O-CA 3.39Å; E338-A342 WeakPolarHBondContact O-CB 3.4Å; E338-A342 PolarHBondContact O-N 3.42Å
339	R	50	Low	47.3	Very low	183 Å²	183	115.9 Å²	115.9	69%	0.691	61%	0.612	S	S	*	*	H	α-helix	trans	-66.6	-35.6	173.2	-79.3	-174.6	176.9	-177	1.1	112.7	I335 E336 E337	I335-R339 PolarHBondContact O-N 3.41Å; E336-R339 PolarHBondContact O-N 3.12Å; E337-R339 VanDerWaalsContact C-N 3.35Å; E337-R339 PolarHBondContact O-N 3.39Å
340	K	50	Low	46	Very low	155 Å²	155	116.3 Å²	116.3	67%	0.674	60%	0.603	S	S	*	*	H	α-helix	trans	-71.8	-31.3	174.5	-73.2	169.8	-173.1	157.5	0	112	E336 E337	E336-K340 WeakPolarHBondContact O-CG 3.4Å; E336-K340 PolarHBondContact O-N 2.8Å; E336-K340 IonicContact OE2-NZ 2.73Å; E336-K340 PolarHBondContact OE2-NZ 2.8Å; E337-K340 PolarHBondContact O-N 2.78Å
341	K	47.9	Very low	45.2	Very low	146 Å²	146	116.2 Å²	116.2	64%	0.635	60%	0.601	S	S	*	*	H	α-helix	trans	-86.4	-20.8	175.3	-69.9	171.6	-168.7	163.7	0	112.7	E337 E338 P343	E337-K341 VanDerWaalsContact O-CB 3.31Å; E337-K341 WeakPolarHBondContact O-CB 3.31Å; E337-K341 VanDerWaalsContact O-CG 3.23Å; E337-K341 WeakPolarHBondContact O-CG 3.42Å; E337-K341 PolarHBondContact O-N 2.82Å; E337-K341 IonicContact OE2-NZ 3.47Å; E337-K341 PolarHBondContact OE2-NZ 3.27Å; E338-K341 CarbonylContact O-C 3.58Å; E338-K341 PolarHBondContact O-N 3.46Å; K341-P343 WeakPolarHBondContact O-CD 3.49Å; K341-P343 VanDerWaalsContact O-N 3.08Å
342	A	40.8	Very low	44.9	Very low	48 Å²	48	118 Å²	118	40%	0.397	62%	0.615	S	S	.	*	S	Bend	trans	-57.7	119.9	-179.1	0	0	0	0	0	105.2	E338 V344	E338-A342 VanDerWaalsContact O-CA 3.27Å; E338-A342 WeakPolarHBondContact O-CA 3.39Å; E338-A342 WeakPolarHBondContact O-CB 3.4Å; E338-A342 PolarHBondContact O-N 3.42Å; A342-V344 PolarHBondContact O-N 2.76Å
343	P	40.3	Very low	45	Very low	108 Å²	108	119.7 Å²	119.7	70%	0.701	62%	0.617	S	S	*	*			trans	-57.9	113.1	179.7	21.8	-29.8	0	0	0	105.5	K341 I345	K341-P343 WeakPolarHBondContact O-CD 3.49Å; K341-P343 VanDerWaalsContact O-N 3.08Å; P343-I345 VanDerWaalsContact C-N 3.32Å; P343-I345 WeakPolarHBondContact O-CG1 3.14Å; P343-I345 PolarHBondContact O-N 3.09Å
344	V	43.5	Very low	45.3	Very low	108 Å²	108	120.9 Å²	120.9	66%	0.655	61%	0.613	S	S	*	*			trans	-45.4	115.3	154.5	176.8	0	0	0	0	102.3	A342 S346	A342-V344 PolarHBondContact O-N 2.76Å; V344-S346 PolarHBondContact O-N 3.16Å
345	I	41.8	Very low	45.9	Very low	114 Å²	114	114.8 Å²	114.8	59%	0.585	59%	0.592	S	S	*	*			trans	-71	59.2	-177.2	-52.3	173	0	0	0	106.8	R310 P343 S347	R310-I345 VanDerWaalsContact NH2-CG2 3.27Å; R310-I345 PolarHBondContact NH2-O 2.86Å; P343-I345 VanDerWaalsContact C-N 3.32Å; P343-I345 WeakPolarHBondContact O-CG1 3.14Å; P343-I345 PolarHBondContact O-N 3.09Å; I345-S347 PolarHBondContact O-N 2.97Å
346	S	39.2	Very low	46.7	Very low	77 Å²	77	114.3 Å²	114.3	54%	0.538	59%	0.59	S	S	.	*			trans	-50.4	132	147.9	178.8	0	0	0	0	105	V344 K348	V344-S346 PolarHBondContact O-N 3.16Å; S346-K348 PolarHBondContact O-N 3.43Å
347	S	39.4	Very low	47.6	Very low	101 Å²	101	112.6 Å²	112.6	71%	0.706	58%	0.582	S	S	*	*	S	Bend	trans	-64.8	48.3	-176.8	51.2	0	0	0	0	113.3	I345	I345-S347 PolarHBondContact O-N 2.97Å
348	K	36.8	Very low	48.7	Very low	158 Å²	158	114 Å²	114	69%	0.687	58%	0.583	S	S	*	*			trans	-106.7	93.8	161.9	-99.2	-177.8	173.9	-177.2	0	106.2	S346 M350	S346-K348 PolarHBondContact O-N 3.43Å; K348-M350 HydrophobicContact CB-CB 4.33Å; K348-M350 HydrophobicContact CD-SD 4.39Å; K348-M350 PolarHBondContact O-N 3.5Å
349	I	35.6	Very low	49.9	Very low	166 Å²	166	110 Å²	110	85%	0.851	57%	0.568	S	S	*	*			trans	-52.4	86.3	151.7	-62.5	162.1	0	0	0	105.7
350	M	37.5	Very low	51.2	Low	76 Å²	76	103.6 Å²	103.6	37%	0.374	56%	0.559	S	S	.	*			trans	-132.5	36.6	175.6	-138.4	174	-159.5	0	0	107.4	K348 Q357	K348-M350 HydrophobicContact CB-CB 4.33Å; K348-M350 HydrophobicContact CD-SD 4.39Å; K348-M350 PolarHBondContact O-N 3.5Å; M350-Q357 HydrophobicContact CE-CG 3.99Å
351	I	40.3	Very low	52.8	Low	152 Å²	152	105.4 Å²	105.4	78%	0.779	56%	0.562	S	S	*	*	S	Bend	trans	-76.1	125.3	165.1	-58.4	172.6	0	0	0	104.5	L353	I351-L353 PolarHBondContact O-N 2.78Å
352	D	47.6	Very low	54.7	Low	157 Å²	157	106.1 Å²	106.1	84%	0.84	57%	0.565	S	S	*	*	S	Bend	trans	83.1	-8.6	168.2	-135.2	13.7	0	0	0	119.6
353	L	51	Low	57	Low	64 Å²	64	107.5 Å²	107.5	34%	0.335	56%	0.563	S	S	.	*			trans	-95.5	2.4	180	-78.9	155.3	0	0	0	114.6	I351 G355 L356 Q357 V503	I351-L353 PolarHBondContact O-N 2.78Å; L353-G355 PolarHBondContact O-N 3.34Å; L353-L356 HydrophobicContact CD2-CB 4.26Å; L353-L356 HydrophobicContact CD2-CD1 4.49Å; L353-L356 PolarHBondContact O-N 3.32Å; L353-Q357 PolarHBondContact O-N 3.36Å; L353-V503 HydrophobicContact CD1-CG1 4.46Å; L353-V503 HydrophobicContact CD2-CB 4.01Å; L353-V503 HydrophobicContact CD2-CG1 3.61Å; L353-V503 HydrophobicContact CD2-CG2 3.38Å
354	E	53.4	Low	59.1	Low	137 Å²	137	102.8 Å²	102.8	64%	0.64	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.4	-177.2	-80	-173.6	164.1	0	0	113.1	R372	E354-R372 PolarHBondContact O-NH1 3.47Å; E354-R372 PolarHBondContact O-NH2 3.42Å
355	G	61.5	Low	61.2	Low	28 Å²	28	97.8 Å²	97.8	29%	0.289	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-17.4	179	0	0	0	0	0	116.1	L353	L353-G355 PolarHBondContact O-N 3.34Å
356	L	68.8	Low	63.4	Low	58 Å²	58	95.7 Å²	95.7	30%	0.304	49%	0.493	S	S	.	.	S	Bend	trans	-112.2	15.9	-173.3	-67.1	165	0	0	0	112.3	L353 F500 V502 V503	L353-L356 HydrophobicContact CD2-CB 4.26Å; L353-L356 HydrophobicContact CD2-CD1 4.49Å; L353-L356 PolarHBondContact O-N 3.32Å; L356-F500 WeakPolarHBondContact O-CA 3.2Å; L356-F500 WeakPolarHBondContact O-CB 3.37Å; L356-V502 HydrophobicContact CD1-CG1 4.38Å; L356-V502 HydrophobicContact CD2-CB 4.22Å; L356-V503 HydrophobicContact CB-CG2 3.41Å; L356-V503 VanDerWaalsContact CB-CG2 3.41Å; L356-V503 HydrophobicContact CD1-CG2 4.42Å; L356-V503 HydrophobicContact CG-CG2 4.48Å; L356-V503 VanDerWaalsContact O-CG2 3.27Å; L356-V503 WeakPolarHBondContact O-CG2 3.23Å
357	Q	70.3	Confident	65.7	Low	84 Å²	84	97 Å²	97	39%	0.393	49%	0.493	S	S	.	.	S	Bend	trans	-77.4	132.9	173	-75.1	173.8	46.4	0	0	110.6	M350 L353 T359	M350-Q357 HydrophobicContact CE-CG 3.99Å; L353-Q357 PolarHBondContact O-N 3.36Å; Q357-T359 PolarHBondContact O-N 2.84Å; Q357-T359 VanDerWaalsContact O-N 3.09Å
358	Y	75.7	Confident	67.8	Low	136 Å²	136	95.1 Å²	95.1	53%	0.533	47%	0.473	S	S	.	.			trans	-60.8	114.5	174.8	-176.1	-114.5	0	0	0	110.7	G360 D497 F500	Y358-G360 VanDerWaalsContact CE1-CA 3.49Å; Y358-D497 HydrophobicContact CD2-CB 4.08Å; Y358-D497 HydrophobicContact CE2-CB 4.01Å; Y358-F500 HydrophobicContact CD2-CB 4.43Å; Y358-F500 AromaticContact CD2-CD1 3.49Å; Y358-F500 HydrophobicContact CD2-CD1 3.49Å; Y358-F500 VanDerWaalsContact CD2-CD1 3.49Å; Y358-F500 AromaticContact CD2-CE1 3.78Å; Y358-F500 HydrophobicContact CD2-CE1 3.78Å; Y358-F500 AromaticContact CD2-CG 3.93Å; Y358-F500 HydrophobicContact CD2-CG 3.93Å; Y358-F500 HydrophobicContact CD2-CZ 4.45Å; Y358-F500 HydrophobicContact CE2-CD1 4.2Å; Y358-F500 HydrophobicContact CE2-CE1 4.2Å; Y358-F500 HydrophobicContact CG-CD1 4.22Å; Y358-F500 HydrophobicContact CG-CE1 4.44Å; Y358-F500 HydrophobicContact CG-CG 4.28Å
359	T	76.5	Confident	70.2	Confident	53 Å²	53	91.2 Å²	91.2	33%	0.325	46%	0.46	S	S	.	.			trans	-80.1	-20.6	-176.4	61.8	0	0	0	0	113	Q357 R361 G364 G365 D497	Q357-T359 PolarHBondContact O-N 2.84Å; Q357-T359 VanDerWaalsContact O-N 3.09Å; T359-R361 PolarHBondContact O-N 2.65Å; T359-G364 VanDerWaalsContact OG1-CA 3.3Å; T359-G364 WeakPolarHBondContact OG1-CA 3.37Å; T359-G365 PolarHBondContact OG1-N 3.47Å; T359-D497 WeakPolarHBondContact CB-OD2 3.43Å; T359-D497 WeakPolarHBondContact CG2-OD2 3.4Å; T359-D497 PolarHBondContact N-OD2 3Å; T359-D497 PolarHBondContact OG1-OD2 2.96Å
360	G	77.9	Confident	72.6	Confident	49 Å²	49	87.9 Å²	87.9	51%	0.505	44%	0.443	S	S	.	.			trans	66.4	10.4	-177.4	0	0	0	0	0	114.8	Y358	Y358-G360 VanDerWaalsContact CE1-CA 3.49Å
361	R	83.3	Confident	74.9	Confident	193 Å²	193	93 Å²	93	73%	0.728	46%	0.458	S	S	*	.	S	Bend	trans	-115.7	145.3	-179.6	-63.6	179.3	-174.9	-171	1.4	110.1	T359 F363 G364	T359-R361 PolarHBondContact O-N 2.65Å; R361-F363 PolarHBondContact O-N 3.41Å; R361-G364 PolarHBondContact O-N 3.34Å
362	F	88.2	Confident	76.8	Confident	161 Å²	161	90.5 Å²	90.5	71%	0.706	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	123.7	170.4	-95.9	-85.8	0	0	0	110	G364 A495	F362-G364 PolarHBondContact O-N 2.95Å; F362-A495 WeakPolarHBondContact CA-O 3.24Å; F362-A495 HydrophobicContact CD1-CB 3.99Å; F362-A495 HydrophobicContact CE1-CB 4.21Å
363	F	88.1	Confident	78.6	Confident	77 Å²	77	87 Å²	87	34%	0.338	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	20.3	-173.6	-59.4	-85.7	0	0	0	114.8	R361 G365 L366 I367 V491 V494 A495	R361-F363 PolarHBondContact O-N 3.41Å; F363-G365 PolarHBondContact O-N 3.23Å; F363-L366 HydrophobicContact CD1-CD2 3.91Å; F363-L366 PolarHBondContact O-N 2.92Å; F363-I367 HydrophobicContact CB-CD1 4.37Å; F363-I367 VanDerWaalsContact O-CG1 3.26Å; F363-I367 WeakPolarHBondContact O-CG1 3.25Å; F363-I367 PolarHBondContact O-N 3.08Å; F363-V491 HydrophobicContact CZ-CG1 4.47Å; F363-V494 HydrophobicContact CD1-CG1 4.16Å; F363-V494 HydrophobicContact CE1-CG1 4.39Å; F363-A495 HydrophobicContact CD1-CB 4.26Å; F363-A495 HydrophobicContact CD2-CB 4.23Å; F363-A495 HydrophobicContact CE1-CB 3.77Å; F363-A495 HydrophobicContact CE2-CB 3.74Å; F363-A495 HydrophobicContact CG-CB 4.47Å; F363-A495 HydrophobicContact CZ-CB 3.5Å; F363-A495 VanDerWaalsContact CZ-CB 3.5Å; F363-A495 PolarHBondContact N-O 3.05Å
364	G	85.6	Confident	80.2	Confident	9 Å²	9	92.5 Å²	92.5	9%	0.093	43%	0.43	C	S	.	.	H	α-helix	trans	-61.5	-46.9	-175.6	0	0	0	0	0	112.9	T359 R361 F362 I367 E368	T359-G364 VanDerWaalsContact OG1-CA 3.3Å; T359-G364 WeakPolarHBondContact OG1-CA 3.37Å; R361-G364 PolarHBondContact O-N 3.34Å; F362-G364 PolarHBondContact O-N 2.95Å; G364-I367 PolarHBondContact O-N 2.91Å; G364-E368 WeakPolarHBondContact O-CB 3.11Å; G364-E368 PolarHBondContact O-N 3.28Å
365	G	86.1	Confident	81.8	Confident	3 Å²	3	90.5 Å²	90.5	3%	0.031	43%	0.429	C	S	.	.	H	α-helix	trans	-59.2	-48	174.9	0	0	0	0	0	112.6	T359 F363 I367 E368 D369 D497	T359-G365 PolarHBondContact OG1-N 3.47Å; F363-G365 PolarHBondContact O-N 3.23Å; G365-I367 PolarHBondContact O-N 2.74Å; G365-E368 PolarHBondContact O-N 3.31Å; G365-E368 VanDerWaalsContact O-N 3.16Å; G365-D369 PolarHBondContact O-N 3.07Å; G365-D497 VanDerWaalsContact CA-OD1 3.24Å; G365-D497 WeakPolarHBondContact CA-OD1 3.34Å; G365-D497 PolarHBondContact N-OD1 3.42Å
366	L	88.3	Confident	82.7	Confident	70 Å²	70	92 Å²	92	37%	0.366	44%	0.435	S	S	.	.	H	α-helix	trans	-58.6	-43.5	177.8	179	64.8	0	0	0	112.7	F363 E368 D369 I370 V494	F363-L366 HydrophobicContact CD1-CD2 3.91Å; F363-L366 PolarHBondContact O-N 2.92Å; L366-E368 VanDerWaalsContact C-N 3.32Å; L366-D369 PolarHBondContact O-N 3.18Å; L366-I370 HydrophobicContact CD1-CD1 4.17Å; L366-I370 HydrophobicContact CD1-CG1 4.43Å; L366-I370 HydrophobicContact CG-CD1 4.05Å; L366-I370 VanDerWaalsContact O-CG1 3.27Å; L366-I370 WeakPolarHBondContact O-CG1 3.27Å; L366-I370 PolarHBondContact O-N 3.46Å; L366-V494 HydrophobicContact CB-CG1 4.09Å; L366-V494 HydrophobicContact CD2-CG1 4.01Å; L366-V494 HydrophobicContact CG-CG1 4.48Å
367	I	87.5	Confident	83.5	Confident	104 Å²	104	91.8 Å²	91.8	53%	0.533	43%	0.431	S	S	.	.	H	α-helix	trans	-64.5	-41	179.1	-69.2	165.8	0	0	0	110.5	F363 G364 G365 R371	F363-I367 HydrophobicContact CB-CD1 4.37Å; F363-I367 VanDerWaalsContact O-CG1 3.26Å; F363-I367 WeakPolarHBondContact O-CG1 3.25Å; F363-I367 PolarHBondContact O-N 3.08Å; G364-I367 PolarHBondContact O-N 2.91Å; G365-I367 PolarHBondContact O-N 2.74Å; I367-R371 WeakPolarHBondContact O-CB 3.44Å; I367-R371 PolarHBondContact O-N 2.81Å
368	E	83.8	Confident	84.2	Confident	62 Å²	62	91.5 Å²	91.5	29%	0.29	44%	0.435	S	S	.	.	H	α-helix	trans	-68.5	-40.4	179.4	-171.7	58.9	-155.5	0	0	111.6	G364 G365 L366 R371 R372	G364-E368 WeakPolarHBondContact O-CB 3.11Å; G364-E368 PolarHBondContact O-N 3.28Å; G365-E368 PolarHBondContact O-N 3.31Å; G365-E368 VanDerWaalsContact O-N 3.16Å; L366-E368 VanDerWaalsContact C-N 3.32Å; E368-R371 PolarHBondContact O-N 2.98Å; E368-R372 VanDerWaalsContact O-CG 3.3Å; E368-R372 WeakPolarHBondContact O-CG 3.34Å; E368-R372 PolarHBondContact O-N 3.09Å; E368-R372 IonicContact OE1-CZ 3.37Å; E368-R372 IonicContact OE1-NE 2.79Å; E368-R372 PolarHBondContact OE1-NE 2.73Å; E368-R372 IonicContact OE1-NH2 2.92Å; E368-R372 PolarHBondContact OE1-NH2 2.72Å; E368-R372 VanDerWaalsContact OE1-NH2 3.14Å
369	D	86.7	Confident	84.8	Confident	76 Å²	76	87 Å²	87	41%	0.406	42%	0.423	S	S	.	.	H	α-helix	trans	-61.1	-46.6	173.7	-73.6	-18.4	0	0	0	111.6	G365 L366 R371 R372 R373	G365-D369 PolarHBondContact O-N 3.07Å; L366-D369 PolarHBondContact O-N 3.18Å; D369-R371 VanDerWaalsContact C-N 3.32Å; D369-R371 PolarHBondContact O-N 3.47Å; D369-R372 PolarHBondContact O-N 3.5Å; D369-R373 WeakPolarHBondContact O-CB 3.5Å; D369-R373 PolarHBondContact O-N 3.17Å
370	I	86	Confident	85.1	Confident	96 Å²	96	87.3 Å²	87.3	49%	0.492	42%	0.423	S	S	.	.	H	α-helix	trans	-59.4	-46.4	175	-70	168.1	0	0	0	109.9	L366 R372 R373 W374	L366-I370 HydrophobicContact CD1-CD1 4.17Å; L366-I370 HydrophobicContact CD1-CG1 4.43Å; L366-I370 HydrophobicContact CG-CD1 4.05Å; L366-I370 VanDerWaalsContact O-CG1 3.27Å; L366-I370 WeakPolarHBondContact O-CG1 3.27Å; L366-I370 PolarHBondContact O-N 3.46Å; I370-R372 VanDerWaalsContact C-N 3.27Å; I370-R372 PolarHBondContact O-N 3.38Å; I370-R373 PolarHBondContact O-N 3.28Å; I370-W374 WeakPolarHBondContact O-CB 3.25Å; I370-W374 PolarHBondContact O-N 3.02Å
371	R	85.5	Confident	85.4	Confident	184 Å²	184	89.7 Å²	89.7	69%	0.694	42%	0.419	S	S	*	.	H	α-helix	trans	-60.9	-37.4	-178.5	-172.9	179.6	-175.3	176.6	1.1	112.3	I367 E368 D369 P375	I367-R371 WeakPolarHBondContact O-CB 3.44Å; I367-R371 PolarHBondContact O-N 2.81Å; E368-R371 PolarHBondContact O-N 2.98Å; D369-R371 VanDerWaalsContact C-N 3.32Å; D369-R371 PolarHBondContact O-N 3.47Å; R371-P375 WeakPolarHBondContact O-CD 3.2Å
372	R	81.6	Confident	85.6	Confident	100 Å²	100	87 Å²	87	38%	0.377	41%	0.413	S	S	.	.	H	α-helix	trans	-75.8	-40.4	178.1	-70.7	172.7	-170.7	-171.3	10.3	112.7	E354 E368 D369 I370 P375	E354-R372 PolarHBondContact O-NH1 3.47Å; E354-R372 PolarHBondContact O-NH2 3.42Å; E368-R372 VanDerWaalsContact O-CG 3.3Å; E368-R372 WeakPolarHBondContact O-CG 3.34Å; E368-R372 PolarHBondContact O-N 3.09Å; E368-R372 IonicContact OE1-CZ 3.37Å; E368-R372 IonicContact OE1-NE 2.79Å; E368-R372 PolarHBondContact OE1-NE 2.73Å; E368-R372 IonicContact OE1-NH2 2.92Å; E368-R372 PolarHBondContact OE1-NH2 2.72Å; E368-R372 VanDerWaalsContact OE1-NH2 3.14Å; D369-R372 PolarHBondContact O-N 3.5Å; I370-R372 VanDerWaalsContact C-N 3.27Å; I370-R372 PolarHBondContact O-N 3.38Å; R372-P375 WeakPolarHBondContact O-CD 3.23Å
373	R	84.7	Confident	85.4	Confident	84 Å²	84	83.5 Å²	83.5	32%	0.317	40%	0.401	S	S	.	.	H	α-helix	trans	-79.7	-33.8	-175.8	-171.8	61.7	-177.1	-171.9	3.6	113.1	D369 I370 P375 S376 Y377 D380 G445	D369-R373 WeakPolarHBondContact O-CB 3.5Å; D369-R373 PolarHBondContact O-N 3.17Å; I370-R373 PolarHBondContact O-N 3.28Å; R373-P375 VanDerWaalsContact C-CD 3.44Å; R373-S376 PolarHBondContact O-N 3.14Å; R373-S376 VanDerWaalsContact O-N 3.16Å; R373-Y377 HydrophobicContact CG-CD2 4.43Å; R373-Y377 PolarHBondContact O-N 2.96Å; R373-D380 IonicContact CZ-OD2 3.26Å; R373-D380 IonicContact NE-OD2 2.9Å; R373-D380 PolarHBondContact NE-OD2 3.06Å; R373-D380 IonicContact NH2-OD1 3.55Å; R373-D380 PolarHBondContact NH2-OD1 3.11Å; R373-D380 VanDerWaalsContact NH2-OD1 3.09Å; R373-D380 IonicContact NH2-OD2 2.74Å; R373-D380 PolarHBondContact NH2-OD2 3.35Å; R373-G445 VanDerWaalsContact CZ-O 3.3Å; R373-G445 PolarHBondContact NE-O 3.21Å
374	W	85.4	Confident	85.2	Confident	178 Å²	178	80.8 Å²	80.8	67%	0.674	39%	0.394	S	S	*	.	H	α-helix	trans	-52.2	-44	-172.4	-175.9	-101.2	0	0	0	115.2	I370 S376 Y377	I370-W374 WeakPolarHBondContact O-CB 3.25Å; I370-W374 PolarHBondContact O-N 3.02Å; W374-S376 VanDerWaalsContact C-N 3.3Å; W374-S376 PolarHBondContact O-N 3.48Å; W374-Y377 PolarHBondContact O-N 3.46Å
375	P	85.7	Confident	85.2	Confident	96 Å²	96	87.6 Å²	87.6	62%	0.623	42%	0.421	S	S	*	.	H	α-helix	trans	-61	-36.2	-179.2	-23.6	35.1	0	0	0	113.8	R371 R372 R373	R371-P375 WeakPolarHBondContact O-CD 3.2Å; R372-P375 WeakPolarHBondContact O-CD 3.23Å; R373-P375 VanDerWaalsContact C-CD 3.44Å
376	S	81.8	Confident	85.3	Confident	59 Å²	59	92.1 Å²	92.1	41%	0.413	45%	0.448	S	S	.	.	H	α-helix	trans	-93.3	-12.1	-178	-55.4	0	0	0	0	113.3	R373 W374 V378 S379 D380	R373-S376 PolarHBondContact O-N 3.14Å; R373-S376 VanDerWaalsContact O-N 3.16Å; W374-S376 VanDerWaalsContact C-N 3.3Å; W374-S376 PolarHBondContact O-N 3.48Å; S376-V378 VanDerWaalsContact C-N 3.25Å; S376-V378 PolarHBondContact O-N 2.94Å; S376-S379 PolarHBondContact O-N 3.3Å; S376-S379 VanDerWaalsContact O-N 3.07Å; S376-S379 PolarHBondContact O-OG 3Å; S376-D380 PolarHBondContact O-N 3.4Å
377	Y	85.9	Confident	85.2	Confident	54 Å²	54	92 Å²	92	21%	0.212	45%	0.453	C	S	.	.	H	α-helix	trans	-61.1	-34.9	-175.2	-169.8	-107	0	0	0	113	R373 W374 F381 F442	R373-Y377 HydrophobicContact CG-CD2 4.43Å; R373-Y377 PolarHBondContact O-N 2.96Å; W374-Y377 PolarHBondContact O-N 3.46Å; Y377-F381 HydrophobicContact CD1-CE2 4.44Å; Y377-F381 AromaticContact CE1-CE2 3.82Å; Y377-F381 HydrophobicContact CE1-CE2 3.82Å; Y377-F381 HydrophobicContact CE2-CE2 4.13Å; Y377-F381 AromaticContact CZ-CE2 3.63Å; Y377-F381 WeakPolarHBondContact O-CD2 3.39Å; Y377-F442 PolarHBondContact OH-O 3.11Å
378	V	84.8	Confident	85.4	Confident	78 Å²	78	97 Å²	97	47%	0.473	47%	0.465	S	S	.	.	H	α-helix	trans	-71.7	-32.8	178.1	179.9	0	0	0	0	111.9	S376 K382	S376-V378 VanDerWaalsContact C-N 3.25Å; S376-V378 PolarHBondContact O-N 2.94Å; V378-K382 HydrophobicContact CG1-CD 4.03Å; V378-K382 WeakPolarHBondContact O-CG 3.42Å; V378-K382 PolarHBondContact O-N 2.84Å
379	S	87.7	Confident	85.6	Confident	40 Å²	40	103 Å²	103	28%	0.28	49%	0.485	S	S	.	.	H	α-helix	trans	-70.9	-32.6	178.8	57.2	0	0	0	0	111.8	S376 F381 K382 D383	S376-S379 PolarHBondContact O-N 3.3Å; S376-S379 VanDerWaalsContact O-N 3.07Å; S376-S379 PolarHBondContact O-OG 3Å; S379-F381 PolarHBondContact O-N 3.25Å; S379-F381 VanDerWaalsContact O-N 3.09Å; S379-K382 PolarHBondContact O-N 3.22Å; S379-D383 WeakPolarHBondContact O-CB 2.75Å; S379-D383 PolarHBondContact O-N 3.26Å
380	D	83.5	Confident	85.6	Confident	60 Å²	60	100.7 Å²	100.7	32%	0.321	48%	0.477	S	S	.	.	H	α-helix	trans	-52.2	-37.4	177.5	-64.3	-35.8	0	0	0	113.1	R373 S376	R373-D380 IonicContact CZ-OD2 3.26Å; R373-D380 IonicContact NE-OD2 2.9Å; R373-D380 PolarHBondContact NE-OD2 3.06Å; R373-D380 IonicContact NH2-OD1 3.55Å; R373-D380 PolarHBondContact NH2-OD1 3.11Å; R373-D380 VanDerWaalsContact NH2-OD1 3.09Å; R373-D380 IonicContact NH2-OD2 2.74Å; R373-D380 PolarHBondContact NH2-OD2 3.35Å; S376-D380 PolarHBondContact O-N 3.4Å
381	F	83.6	Confident	85.8	Confident	99 Å²	99	99.9 Å²	99.9	43%	0.434	47%	0.47	S	S	.	.	H	α-helix	trans	-85.1	-33.8	177.5	-66.9	-85	0	0	0	113	Y377 S379 F385 F442	Y377-F381 HydrophobicContact CD1-CE2 4.44Å; Y377-F381 AromaticContact CE1-CE2 3.82Å; Y377-F381 HydrophobicContact CE1-CE2 3.82Å; Y377-F381 HydrophobicContact CE2-CE2 4.13Å; Y377-F381 AromaticContact CZ-CE2 3.63Å; Y377-F381 WeakPolarHBondContact O-CD2 3.39Å; S379-F381 PolarHBondContact O-N 3.25Å; S379-F381 VanDerWaalsContact O-N 3.09Å; F381-F385 VanDerWaalsContact O-CD2 3.24Å; F381-F385 WeakPolarHBondContact O-CD2 3.22Å; F381-F442 HydrophobicContact CE1-CE1 4.31Å; F381-F442 HydrophobicContact CZ-CD1 4.22Å; F381-F442 HydrophobicContact CZ-CE1 4.11Å
382	K	86.7	Confident	86.1	Confident	136 Å²	136	93.9 Å²	93.9	59%	0.591	46%	0.456	S	S	*	.	H	α-helix	trans	-74.4	-40.4	-178	-73	-179.5	179.3	177.3	0	112	V378 S379 A384 F385 T386	V378-K382 HydrophobicContact CG1-CD 4.03Å; V378-K382 WeakPolarHBondContact O-CG 3.42Å; V378-K382 PolarHBondContact O-N 2.84Å; S379-K382 PolarHBondContact O-N 3.22Å; K382-A384 PolarHBondContact O-N 3.47Å; K382-F385 PolarHBondContact O-N 3.44Å; K382-T386 PolarHBondContact O-N 3.35Å; K382-T386 PolarHBondContact O-OG1 3.45Å
383	D	85	Confident	86.5	Confident	88 Å²	88	94.5 Å²	94.5	47%	0.471	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-65.2	-28.8	-172.5	-69.4	-15.8	0	0	0	112.7	S379 F385 T386 A390	S379-D383 WeakPolarHBondContact O-CB 2.75Å; S379-D383 PolarHBondContact O-N 3.26Å; D383-F385 PolarHBondContact O-N 3.39Å; D383-T386 PolarHBondContact O-N 3.07Å; D383-A390 WeakPolarHBondContact O-CB 3.39Å
384	A	82.9	Confident	86.7	Confident	21 Å²	21	93.3 Å²	93.3	17%	0.174	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-60.1	-25.1	172	0	0	0	0	0	113.1	K382 F391 C394	K382-A384 PolarHBondContact O-N 3.47Å; A384-F391 WeakPolarHBondContact O-CA 3.23Å; A384-F391 WeakPolarHBondContact O-CB 3.45Å; A384-F391 PolarHBondContact O-N 3.35Å; A384-C394 HydrophobicContact CB-CB 4.49Å
385	F	87.3	Confident	87	Confident	152 Å²	152	90.9 Å²	90.9	67%	0.667	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-109.6	-2.9	-178.1	-58.9	-78.8	0	0	0	114.1	F381 K382 D383 S387 F391	F381-F385 VanDerWaalsContact O-CD2 3.24Å; F381-F385 WeakPolarHBondContact O-CD2 3.22Å; K382-F385 PolarHBondContact O-N 3.44Å; D383-F385 PolarHBondContact O-N 3.39Å; F385-S387 VanDerWaalsContact C-N 3.3Å; F385-S387 PolarHBondContact O-N 3.19Å; F385-F391 AromaticContact CD1-CD2 3.95Å; F385-F391 HydrophobicContact CD1-CD2 3.95Å; F385-F391 HydrophobicContact CD1-CE2 4.3Å; F385-F391 AromaticContact CE1-CD2 3.96Å; F385-F391 HydrophobicContact CE1-CD2 3.96Å; F385-F391 AromaticContact CE1-CE2 3.91Å; F385-F391 HydrophobicContact CE1-CE2 3.91Å
386	T	86.7	Confident	87.2	Confident	97 Å²	97	89.9 Å²	89.9	60%	0.595	46%	0.457	S	S	*	.	S	Bend	trans	-67.7	-27.2	-177.5	-61.2	0	0	0	0	113	K382 D383	K382-T386 PolarHBondContact O-N 3.35Å; K382-T386 PolarHBondContact O-OG1 3.45Å; D383-T386 PolarHBondContact O-N 3.07Å
387	S	87.7	Confident	87.6	Confident	68 Å²	68	89.3 Å²	89.3	48%	0.476	46%	0.456	S	S	.	.			trans	-147.6	144.8	-177	-73	0	0	0	0	111.5	F385 R389 A390 F391	F385-S387 VanDerWaalsContact C-N 3.3Å; F385-S387 PolarHBondContact O-N 3.19Å; S387-R389 PolarHBondContact O-N 3.34Å; S387-R389 VanDerWaalsContact O-N 3.15Å; S387-A390 PolarHBondContact O-N 3.12Å; S387-F391 PolarHBondContact O-N 2.84Å
388	W	90.6	Very high	87.7	Confident	210 Å²	210	89.9 Å²	89.9	80%	0.795	47%	0.468	S	S	*	.	H	α-helix	trans	-53.1	-37.3	175.3	178	-104.9	0	0	0	112.6	F391 S392	W388-F391 HydrophobicContact CZ3-CD1 4.37Å; W388-S392 WeakPolarHBondContact O-CB 3.31Å; W388-S392 PolarHBondContact O-N 2.88Å
389	R	88.5	Confident	88	Confident	187 Å²	187	89 Å²	89	71%	0.706	46%	0.463	S	S	*	.	H	α-helix	trans	-62.2	-48	175.5	-172.7	-176.7	-177	108	-1.2	112.3	S387 S392 Q393	S387-R389 PolarHBondContact O-N 3.34Å; S387-R389 VanDerWaalsContact O-N 3.15Å; R389-S392 PolarHBondContact O-N 3.3Å; R389-Q393 VanDerWaalsContact O-CG 3.28Å; R389-Q393 WeakPolarHBondContact O-CG 3.1Å; R389-Q393 PolarHBondContact O-N 3.48Å
390	A	86.7	Confident	88.1	Confident	28 Å²	28	94 Å²	94	23%	0.231	48%	0.479	C	S	.	.	H	α-helix	trans	-64.9	-43.7	-179.7	0	0	0	0	0	111	D383 S387 S392 Q393 C394	D383-A390 WeakPolarHBondContact O-CB 3.39Å; S387-A390 PolarHBondContact O-N 3.12Å; A390-S392 PolarHBondContact O-N 3.47Å; A390-Q393 PolarHBondContact O-N 3.44Å; A390-C394 WeakPolarHBondContact O-CB 3.2Å; A390-C394 PolarHBondContact O-N 2.9Å
391	F	90	Very high	88.3	Confident	79 Å²	79	93.6 Å²	93.6	35%	0.346	48%	0.477	S	S	.	.	H	α-helix	trans	-59.7	-47.6	175.6	179.3	-101.9	0	0	0	111.8	A384 F385 S387 W388 Q393 C394 F395	A384-F391 WeakPolarHBondContact O-CA 3.23Å; A384-F391 WeakPolarHBondContact O-CB 3.45Å; A384-F391 PolarHBondContact O-N 3.35Å; F385-F391 AromaticContact CD1-CD2 3.95Å; F385-F391 HydrophobicContact CD1-CD2 3.95Å; F385-F391 HydrophobicContact CD1-CE2 4.3Å; F385-F391 AromaticContact CE1-CD2 3.96Å; F385-F391 HydrophobicContact CE1-CD2 3.96Å; F385-F391 AromaticContact CE1-CE2 3.91Å; F385-F391 HydrophobicContact CE1-CE2 3.91Å; S387-F391 PolarHBondContact O-N 2.84Å; W388-F391 HydrophobicContact CZ3-CD1 4.37Å; F391-Q393 VanDerWaalsContact C-N 3.31Å; F391-Q393 PolarHBondContact O-N 2.9Å; F391-C394 PolarHBondContact O-N 2.74Å; F391-F395 VanDerWaalsContact O-CB 3.25Å; F391-F395 WeakPolarHBondContact O-CB 3.35Å; F391-F395 PolarHBondContact O-N 2.78Å
392	S	91.8	Very high	88.6	Confident	58 Å²	58	94.6 Å²	94.6	41%	0.406	48%	0.482	S	S	.	.	H	α-helix	trans	-61.7	-38.5	178.5	176.2	0	0	0	0	112.5	W388 R389 A390 S396	W388-S392 WeakPolarHBondContact O-CB 3.31Å; W388-S392 PolarHBondContact O-N 2.88Å; R389-S392 PolarHBondContact O-N 3.3Å; A390-S392 PolarHBondContact O-N 3.47Å; S392-S396 VanDerWaalsContact O-CB 3.24Å; S392-S396 WeakPolarHBondContact O-CB 3.46Å; S392-S396 PolarHBondContact O-N 3.26Å
393	Q	90.7	Very high	88.6	Confident	112 Å²	112	94.1 Å²	94.1	52%	0.523	48%	0.479	S	S	.	.	H	α-helix	trans	-66.2	-48	176	-73.3	173.1	-22.5	0	0	111.7	R389 A390 F391 S396 A397	R389-Q393 VanDerWaalsContact O-CG 3.28Å; R389-Q393 WeakPolarHBondContact O-CG 3.1Å; R389-Q393 PolarHBondContact O-N 3.48Å; A390-Q393 PolarHBondContact O-N 3.44Å; F391-Q393 VanDerWaalsContact C-N 3.31Å; F391-Q393 PolarHBondContact O-N 2.9Å; Q393-S396 PolarHBondContact O-N 3.44Å; Q393-A397 WeakPolarHBondContact O-CB 3.42Å; Q393-A397 PolarHBondContact O-N 2.74Å
394	C	88.3	Confident	88.5	Confident	60 Å²	60	92 Å²	92	41%	0.405	48%	0.475	S	S	.	.	H	α-helix	trans	-62.6	-43.3	177.9	-175.1	0	0	0	0	111.7	A384 A390 F391 A397 S398	A384-C394 HydrophobicContact CB-CB 4.49Å; A390-C394 WeakPolarHBondContact O-CB 3.2Å; A390-C394 PolarHBondContact O-N 2.9Å; F391-C394 PolarHBondContact O-N 2.74Å; C394-A397 PolarHBondContact O-N 2.86Å; C394-S398 WeakPolarHBondContact O-CB 3.33Å; C394-S398 PolarHBondContact O-N 2.97Å; C394-S398 PolarHBondContact O-OG 3.06Å
395	F	90.7	Very high	88.6	Confident	126 Å²	126	93.1 Å²	93.1	55%	0.553	48%	0.478	S	S	*	.	H	α-helix	trans	-62.7	-48	177	-178.8	-101.3	0	0	0	112	F391 A397 S398 V399	F391-F395 VanDerWaalsContact O-CB 3.25Å; F391-F395 WeakPolarHBondContact O-CB 3.35Å; F391-F395 PolarHBondContact O-N 2.78Å; F395-A397 PolarHBondContact O-N 3.14Å; F395-S398 PolarHBondContact O-N 3.4Å; F395-V399 HydrophobicContact CE1-CG2 4.11Å; F395-V399 HydrophobicContact CE2-CG2 4.34Å; F395-V399 HydrophobicContact CZ-CG2 4.02Å; F395-V399 WeakPolarHBondContact O-CG2 3.32Å; F395-V399 PolarHBondContact O-N 3.36Å
396	S	91.3	Very high	88.7	Confident	76 Å²	76	88.2 Å²	88.2	53%	0.531	46%	0.458	S	S	.	.	H	α-helix	trans	-59.6	-47.2	177.1	-177	0	0	0	0	111.8	S392 Q393 S398 V399 F400	S392-S396 VanDerWaalsContact O-CB 3.24Å; S392-S396 WeakPolarHBondContact O-CB 3.46Å; S392-S396 PolarHBondContact O-N 3.26Å; Q393-S396 PolarHBondContact O-N 3.44Å; S396-S398 VanDerWaalsContact C-N 3.32Å; S396-S398 PolarHBondContact O-N 2.94Å; S396-V399 PolarHBondContact O-N 3.49Å; S396-F400 WeakPolarHBondContact O-CB 3.42Å; S396-F400 PolarHBondContact O-N 2.8Å
397	A	89.8	Confident	88.5	Confident	46 Å²	46	88.3 Å²	88.3	38%	0.38	46%	0.459	S	S	.	.	H	α-helix	trans	-61	-41.2	176.7	0	0	0	0	0	111.9	Q393 C394 F395 F400 L401	Q393-A397 WeakPolarHBondContact O-CB 3.42Å; Q393-A397 PolarHBondContact O-N 2.74Å; C394-A397 PolarHBondContact O-N 2.86Å; F395-A397 PolarHBondContact O-N 3.14Å; A397-F400 PolarHBondContact O-N 3.34Å; A397-L401 WeakPolarHBondContact O-CB 3.39Å; A397-L401 VanDerWaalsContact O-CG 3.25Å; A397-L401 WeakPolarHBondContact O-CG 3.24Å; A397-L401 PolarHBondContact O-N 3.21Å
398	S	88.4	Confident	88.2	Confident	66 Å²	66	87 Å²	87	46%	0.462	45%	0.446	S	S	.	.	H	α-helix	trans	-62.9	-44.8	178.2	-60.2	0	0	0	0	112.1	C394 F395 S396 F402	C394-S398 WeakPolarHBondContact O-CB 3.33Å; C394-S398 PolarHBondContact O-N 2.97Å; C394-S398 PolarHBondContact O-OG 3.06Å; F395-S398 PolarHBondContact O-N 3.4Å; S396-S398 VanDerWaalsContact C-N 3.32Å; S396-S398 PolarHBondContact O-N 2.94Å; S398-F402 WeakPolarHBondContact O-CB 3.25Å; S398-F402 PolarHBondContact O-N 3.4Å
399	V	91	Very high	88.1	Confident	61 Å²	61	78 Å²	78	37%	0.37	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-43.3	176.6	173.6	0	0	0	0	111	F395 S396 F402 F403	F395-V399 HydrophobicContact CE1-CG2 4.11Å; F395-V399 HydrophobicContact CE2-CG2 4.34Å; F395-V399 HydrophobicContact CZ-CG2 4.02Å; F395-V399 WeakPolarHBondContact O-CG2 3.32Å; F395-V399 PolarHBondContact O-N 3.36Å; S396-V399 PolarHBondContact O-N 3.49Å; V399-F402 PolarHBondContact O-N 3.47Å; V399-F403 HydrophobicContact CG1-CD2 4.02Å; V399-F403 HydrophobicContact CG1-CE2 3.87Å; V399-F403 VanDerWaalsContact O-CD2 3.3Å; V399-F403 WeakPolarHBondContact O-CD2 3.32Å; V399-F403 PolarHBondContact O-N 3.45Å
400	F	88.9	Confident	88	Confident	144 Å²	144	72.8 Å²	72.8	63%	0.632	40%	0.399	S	S	*	.	H	α-helix	trans	-61.7	-49.7	176.9	173	-102.3	0	0	0	112	S396 A397 F402 F403 A404	S396-F400 WeakPolarHBondContact O-CB 3.42Å; S396-F400 PolarHBondContact O-N 2.8Å; A397-F400 PolarHBondContact O-N 3.34Å; F400-F402 VanDerWaalsContact C-N 3.28Å; F400-F402 PolarHBondContact O-N 3Å; F400-F403 PolarHBondContact O-N 2.95Å; F400-A404 WeakPolarHBondContact O-CB 3.5Å; F400-A404 PolarHBondContact O-N 3.48Å
401	L	87.6	Confident	87.8	Confident	52 Å²	52	73.9 Å²	73.9	27%	0.272	41%	0.408	S	S	.	.	H	α-helix	trans	-62.5	-35.4	178.8	-72.4	176	0	0	0	112.2	A397 N405 I450	A397-L401 WeakPolarHBondContact O-CB 3.39Å; A397-L401 VanDerWaalsContact O-CG 3.25Å; A397-L401 WeakPolarHBondContact O-CG 3.24Å; A397-L401 PolarHBondContact O-N 3.21Å; L401-N405 VanDerWaalsContact O-CB 3.29Å; L401-N405 WeakPolarHBondContact O-CB 3.19Å; L401-N405 VanDerWaalsContact O-CG 3.24Å; L401-N405 PolarHBondContact O-N 3.35Å; L401-N405 PolarHBondContact O-ND2 3.31Å; L401-I450 HydrophobicContact CD2-CD1 3.49Å; L401-I450 VanDerWaalsContact CD2-CD1 3.49Å; L401-I450 HydrophobicContact CD2-CG1 4.09Å
402	F	89.4	Confident	87.4	Confident	120 Å²	120	71.1 Å²	71.1	53%	0.526	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-53.4	174.7	173.8	-98.6	0	0	0	111.7	S398 V399 F400 N405 L406	S398-F402 WeakPolarHBondContact O-CB 3.25Å; S398-F402 PolarHBondContact O-N 3.4Å; V399-F402 PolarHBondContact O-N 3.47Å; F400-F402 VanDerWaalsContact C-N 3.28Å; F400-F402 PolarHBondContact O-N 3Å; F402-N405 PolarHBondContact O-N 3.41Å; F402-L406 HydrophobicContact CE1-CD2 3.95Å; F402-L406 HydrophobicContact CZ-CD2 3.88Å; F402-L406 WeakPolarHBondContact O-CB 3.37Å; F402-L406 PolarHBondContact O-N 2.82Å
403	F	86.9	Confident	87.2	Confident	125 Å²	125	68.4 Å²	68.4	55%	0.548	38%	0.377	S	S	.	.	H	α-helix	trans	-69.5	-35.1	-179.3	-74.5	-66.2	0	0	0	113	V399 F400 T407	V399-F403 HydrophobicContact CG1-CD2 4.02Å; V399-F403 HydrophobicContact CG1-CE2 3.87Å; V399-F403 VanDerWaalsContact O-CD2 3.3Å; V399-F403 WeakPolarHBondContact O-CD2 3.32Å; V399-F403 PolarHBondContact O-N 3.45Å; F400-F403 PolarHBondContact O-N 2.95Å; F403-T407 PolarHBondContact O-N 2.96Å; F403-T407 PolarHBondContact O-OG1 2.74Å
404	A	82.5	Confident	86.9	Confident	45 Å²	45	66.6 Å²	66.6	37%	0.372	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-47.3	175.5	0	0	0	0	0	111.4	F400	F400-A404 WeakPolarHBondContact O-CB 3.5Å; F400-A404 PolarHBondContact O-N 3.48Å
405	N	86.4	Confident	86.7	Confident	44 Å²	44	67.6 Å²	67.6	24%	0.235	38%	0.377	C	S	.	.	H	α-helix	trans	-75	-39.9	-178.3	-68.8	-25	0	0	0	112.6	L401 F402 T407 N408 L409 I450	L401-N405 VanDerWaalsContact O-CB 3.29Å; L401-N405 WeakPolarHBondContact O-CB 3.19Å; L401-N405 VanDerWaalsContact O-CG 3.24Å; L401-N405 PolarHBondContact O-N 3.35Å; L401-N405 PolarHBondContact O-ND2 3.31Å; F402-N405 PolarHBondContact O-N 3.41Å; N405-T407 VanDerWaalsContact C-N 3.28Å; N405-T407 PolarHBondContact O-N 3.11Å; N405-N408 PolarHBondContact O-N 3.03Å; N405-L409 VanDerWaalsContact O-CG 3.26Å; N405-L409 WeakPolarHBondContact O-CG 3.45Å; N405-L409 PolarHBondContact O-N 3.39Å; N405-I450 WeakPolarHBondContact OD1-CG2 3.24Å
406	L	88.2	Confident	86.5	Confident	49 Å²	49	61.7 Å²	61.7	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-59	-41.6	-179.5	-179.1	61.8	0	0	0	111.9	F402 L409 I410 I430	F402-L406 HydrophobicContact CE1-CD2 3.95Å; F402-L406 HydrophobicContact CZ-CD2 3.88Å; F402-L406 WeakPolarHBondContact O-CB 3.37Å; F402-L406 PolarHBondContact O-N 2.82Å; L406-L409 PolarHBondContact O-N 3.13Å; L406-I410 HydrophobicContact CD1-CD1 3.91Å; L406-I410 HydrophobicContact CD1-CG1 4.24Å; L406-I410 HydrophobicContact CG-CD1 3.86Å; L406-I410 VanDerWaalsContact O-CG1 3.3Å; L406-I410 WeakPolarHBondContact O-CG1 3.49Å; L406-I410 PolarHBondContact O-N 2.74Å; L406-I430 HydrophobicContact CD1-CD1 4.24Å
407	T	82.7	Confident	86.3	Confident	99 Å²	99	58.1 Å²	58.1	61%	0.607	33%	0.327	S	S	*	.	H	α-helix	trans	-63.1	-45.4	179.6	-54	0	0	0	0	111.4	F403 N405 I410 A411	F403-T407 PolarHBondContact O-N 2.96Å; F403-T407 PolarHBondContact O-OG1 2.74Å; N405-T407 VanDerWaalsContact C-N 3.28Å; N405-T407 PolarHBondContact O-N 3.11Å; T407-I410 PolarHBondContact O-N 2.69Å; T407-A411 PolarHBondContact O-N 2.87Å; T407-A411 VanDerWaalsContact O-N 3.1Å
408	N	81.8	Confident	86	Confident	40 Å²	40	59.9 Å²	59.9	21%	0.214	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-44.4	177.7	-168.3	-8.7	0	0	0	111.2	N405 I410 A411 F412 S452	N405-N408 PolarHBondContact O-N 3.03Å; N408-I410 PolarHBondContact O-N 3.27Å; N408-A411 PolarHBondContact O-N 2.74Å; N408-F412 VanDerWaalsContact O-CB 3.31Å; N408-F412 WeakPolarHBondContact O-CB 3.49Å; N408-F412 PolarHBondContact O-N 2.58Å; N408-S452 PolarHBondContact ND2-OG 3.39Å
409	L	87.9	Confident	85.9	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-40.3	179.1	-70.5	168.3	0	0	0	113.3	N405 L406 G413 I430 A433	N405-L409 VanDerWaalsContact O-CG 3.26Å; N405-L409 WeakPolarHBondContact O-CG 3.45Å; N405-L409 PolarHBondContact O-N 3.39Å; L406-L409 PolarHBondContact O-N 3.13Å; L409-G413 PolarHBondContact O-N 3.01Å; L409-I430 HydrophobicContact CB-CG1 4.34Å; L409-A433 HydrophobicContact CD1-CB 3.47Å; L409-A433 VanDerWaalsContact CD1-CB 3.47Å; L409-A433 HydrophobicContact CD2-CB 3.47Å; L409-A433 VanDerWaalsContact CD2-CB 3.47Å; L409-A433 HydrophobicContact CG-CB 4.12Å
410	I	87.3	Confident	85.6	Confident	77 Å²	77	57.9 Å²	57.9	40%	0.395	32%	0.316	S	S	.	.	H	α-helix	trans	-67.8	-46.4	177.6	-67.2	166	0	0	0	110.5	L406 T407 N408 G413 S414 V426 I430	L406-I410 HydrophobicContact CD1-CD1 3.91Å; L406-I410 HydrophobicContact CD1-CG1 4.24Å; L406-I410 HydrophobicContact CG-CD1 3.86Å; L406-I410 VanDerWaalsContact O-CG1 3.3Å; L406-I410 WeakPolarHBondContact O-CG1 3.49Å; L406-I410 PolarHBondContact O-N 2.74Å; T407-I410 PolarHBondContact O-N 2.69Å; N408-I410 PolarHBondContact O-N 3.27Å; I410-G413 PolarHBondContact O-N 2.88Å; I410-S414 WeakPolarHBondContact O-CB 3.44Å; I410-S414 PolarHBondContact O-N 3.49Å; I410-V426 HydrophobicContact CB-CG1 4.36Å; I410-V426 HydrophobicContact CG1-CG1 3.97Å; I410-V426 HydrophobicContact CG2-CG1 4.4Å; I410-I430 HydrophobicContact CG1-CD1 4.36Å
411	A	81.7	Confident	85.3	Confident	52 Å²	52	56.7 Å²	56.7	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-49.1	179.1	0	0	0	0	0	111.2	T407 N408 S414 I415	T407-A411 PolarHBondContact O-N 2.87Å; T407-A411 VanDerWaalsContact O-N 3.1Å; N408-A411 PolarHBondContact O-N 2.74Å; A411-S414 PolarHBondContact O-N 2.92Å; A411-I415 WeakPolarHBondContact O-CG1 3.48Å; A411-I415 PolarHBondContact O-N 3.39Å
412	F	83.3	Confident	84.9	Confident	21 Å²	21	61 Å²	61	9%	0.092	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-48.5	178.1	-176	-92.9	0	0	0	112.1	N408 S414 I415 M416 A453 L458	N408-F412 VanDerWaalsContact O-CB 3.31Å; N408-F412 WeakPolarHBondContact O-CB 3.49Å; N408-F412 PolarHBondContact O-N 2.58Å; F412-S414 VanDerWaalsContact C-N 3.27Å; F412-S414 PolarHBondContact O-N 3.2Å; F412-I415 PolarHBondContact O-N 2.96Å; F412-M416 HydrophobicContact CD1-CE 4.27Å; F412-M416 HydrophobicContact CE1-CB 4.48Å; F412-M416 HydrophobicContact CE1-CE 3.16Å; F412-M416 HydrophobicContact CE1-SD 3.78Å; F412-M416 HydrophobicContact CZ-CE 3.31Å; F412-M416 HydrophobicContact CZ-SD 4.49Å; F412-M416 VanDerWaalsContact O-CB 3.27Å; F412-M416 WeakPolarHBondContact O-CB 3.45Å; F412-M416 PolarHBondContact O-N 3.03Å; F412-A453 HydrophobicContact CD1-CB 3.63Å; F412-A453 HydrophobicContact CD2-CB 3.94Å; F412-A453 HydrophobicContact CE1-CB 3.3Å; F412-A453 HydrophobicContact CE2-CB 3.63Å; F412-A453 HydrophobicContact CG-CB 3.93Å; F412-A453 HydrophobicContact CZ-CB 3.32Å; F412-L458 HydrophobicContact CE2-CB 3.7Å; F412-L458 HydrophobicContact CZ-CB 3.92Å; F412-L458 HydrophobicContact CZ-CD1 4.47Å
413	G	86.4	Confident	84.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-31.5	179.6	0	0	0	0	0	113.4	L409 I410 G417 A425	L409-G413 PolarHBondContact O-N 3.01Å; I410-G413 PolarHBondContact O-N 2.88Å; G413-G417 PolarHBondContact O-N 2.76Å; G413-A425 CarbonylContact O-C 3.54Å; G413-A425 WeakPolarHBondContact O-CA 3.49Å
414	S	85.4	Confident	84.2	Confident	74 Å²	74	55.1 Å²	55.1	52%	0.517	31%	0.31	S	S	.	.	H	α-helix	trans	-69	-43.8	175.5	-174.3	0	0	0	0	111.9	I410 A411 F412 S418	I410-S414 WeakPolarHBondContact O-CB 3.44Å; I410-S414 PolarHBondContact O-N 3.49Å; A411-S414 PolarHBondContact O-N 2.92Å; F412-S414 VanDerWaalsContact C-N 3.27Å; F412-S414 PolarHBondContact O-N 3.2Å; S414-S418 PolarHBondContact O-N 3.4Å
415	I	82.9	Confident	84.4	Confident	82 Å²	82	53.8 Å²	53.8	42%	0.421	30%	0.299	S	S	.	.	H	α-helix	trans	-68.7	-42.8	177.9	-62	170.4	0	0	0	109.5	A411 F412 G417 S418 M419 L458	A411-I415 WeakPolarHBondContact O-CG1 3.48Å; A411-I415 PolarHBondContact O-N 3.39Å; F412-I415 PolarHBondContact O-N 2.96Å; I415-G417 PolarHBondContact O-N 3.48Å; I415-S418 PolarHBondContact O-N 3.2Å; I415-S418 PolarHBondContact O-OG 2.86Å; I415-M419 HydrophobicContact CG2-CE 3.67Å; I415-M419 HydrophobicContact CG2-SD 4.16Å; I415-M419 PolarHBondContact O-N 3.33Å; I415-M419 VanDerWaalsContact O-N 3.15Å; I415-L458 HydrophobicContact CG2-CD2 3.72Å
416	M	85.8	Confident	84.5	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-58.7	-45.1	176.4	-179	165.7	-80.7	0	0	112.4	F412 S418 M419 L420 M424 L458 E461	F412-M416 HydrophobicContact CD1-CE 4.27Å; F412-M416 HydrophobicContact CE1-CB 4.48Å; F412-M416 HydrophobicContact CE1-CE 3.16Å; F412-M416 HydrophobicContact CE1-SD 3.78Å; F412-M416 HydrophobicContact CZ-CE 3.31Å; F412-M416 HydrophobicContact CZ-SD 4.49Å; F412-M416 VanDerWaalsContact O-CB 3.27Å; F412-M416 WeakPolarHBondContact O-CB 3.45Å; F412-M416 PolarHBondContact O-N 3.03Å; M416-S418 VanDerWaalsContact C-N 3.3Å; M416-S418 PolarHBondContact O-N 2.82Å; M416-M419 PolarHBondContact O-N 2.85Å; M416-M419 VanDerWaalsContact O-N 3.14Å; M416-L420 HydrophobicContact CG-CD1 3.42Å; M416-L420 VanDerWaalsContact CG-CD1 3.42Å; M416-L420 HydrophobicContact CG-CG 4.25Å; M416-L420 WeakPolarHBondContact O-CB 3.43Å; M416-L420 WeakPolarHBondContact O-CG 3.16Å; M416-L420 PolarHBondContact O-N 3.14Å; M416-L420 HydrophobicContact SD-CD1 4.15Å; M416-M424 CarbonylContact C-O 3.59Å; M416-M424 HydrophobicContact SD-CE 3.71Å; M416-M424 HydrophobicContact SD-CG 4.41Å; M416-M424 HydrophobicContact SD-SD 4.21Å; M416-L458 HydrophobicContact CB-CD1 3.87Å; M416-L458 HydrophobicContact CE-CD1 3.91Å; M416-L458 HydrophobicContact CG-CD1 4.29Å; M416-E461 HydrophobicContact CE-CB 4.26Å; M416-E461 HydrophobicContact CE-CG 4.24Å
417	G	87.5	Confident	84.6	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-57.3	-43	175	0	0	0	0	0	112.8	G413 I415 M419 L420 D421 E422 M424	G413-G417 PolarHBondContact O-N 2.76Å; I415-G417 PolarHBondContact O-N 3.48Å; G417-M419 VanDerWaalsContact C-N 3.29Å; G417-M419 PolarHBondContact O-N 2.68Å; G417-L420 PolarHBondContact O-N 2.87Å; G417-D421 PolarHBondContact O-N 3Å; G417-E422 PolarHBondContact O-N 3.26Å; G417-M424 WeakPolarHBondContact CA-O 3.36Å; G417-M424 PolarHBondContact N-O 3.24Å
418	S	84.3	Confident	84.9	Confident	82 Å²	82	55 Å²	55	57%	0.573	30%	0.303	S	S	*	.	H	α-helix	trans	-67.8	-25.4	178.7	74.9	0	0	0	0	114.2	S414 I415 M416	S414-S418 PolarHBondContact O-N 3.4Å; I415-S418 PolarHBondContact O-N 3.2Å; I415-S418 PolarHBondContact O-OG 2.86Å; M416-S418 VanDerWaalsContact C-N 3.3Å; M416-S418 PolarHBondContact O-N 2.82Å
419	M	85.5	Confident	85.2	Confident	85 Å²	85	53.5 Å²	53.5	42%	0.419	30%	0.296	S	S	.	.	H	α-helix	trans	-92.9	-20.4	179.6	-68.6	-178.3	178.9	0	0	113.4	I415 M416 G417 L458 T462	I415-M419 HydrophobicContact CG2-CE 3.67Å; I415-M419 HydrophobicContact CG2-SD 4.16Å; I415-M419 PolarHBondContact O-N 3.33Å; I415-M419 VanDerWaalsContact O-N 3.15Å; M416-M419 PolarHBondContact O-N 2.85Å; M416-M419 VanDerWaalsContact O-N 3.14Å; G417-M419 VanDerWaalsContact C-N 3.29Å; G417-M419 PolarHBondContact O-N 2.68Å; M419-L458 HydrophobicContact CE-CD2 4.27Å; M419-L458 HydrophobicContact SD-CD1 3.94Å; M419-L458 HydrophobicContact SD-CD2 3.97Å; M419-L458 HydrophobicContact SD-CG 3.95Å; M419-T462 HydrophobicContact CB-CG2 4.28Å
420	L	86	Confident	85.4	Confident	1 Å²	1	55 Å²	55	1%	0.005	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	24.9	-176.9	-64.6	176	0	0	0	112.3	M416 G417 E422 K423 M424 H465 F475	M416-L420 HydrophobicContact CG-CD1 3.42Å; M416-L420 VanDerWaalsContact CG-CD1 3.42Å; M416-L420 HydrophobicContact CG-CG 4.25Å; M416-L420 WeakPolarHBondContact O-CB 3.43Å; M416-L420 WeakPolarHBondContact O-CG 3.16Å; M416-L420 PolarHBondContact O-N 3.14Å; M416-L420 HydrophobicContact SD-CD1 4.15Å; G417-L420 PolarHBondContact O-N 2.87Å; L420-E422 PolarHBondContact O-N 3.33Å; L420-E422 VanDerWaalsContact O-N 3.15Å; L420-K423 HydrophobicContact CB-CB 4.45Å; L420-K423 WeakPolarHBondContact O-CB 3.27Å; L420-K423 WeakPolarHBondContact O-CG 3.49Å; L420-K423 PolarHBondContact O-N 2.82Å; L420-M424 HydrophobicContact CD1-CB 4.05Å; L420-H465 HydrophobicContact CD2-CB 3.31Å; L420-F475 HydrophobicContact CD2-CZ 4.27Å
421	D	81.2	Confident	85.6	Confident	118 Å²	118	55.5 Å²	55.5	63%	0.631	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	43	-178.3	-63.2	-41.3	0	0	0	113.4	G417 K423 H465	G417-D421 PolarHBondContact O-N 3Å; D421-K423 PolarHBondContact O-N 2.84Å; D421-K423 VanDerWaalsContact O-N 3.07Å; D421-H465 IonicContact OD2-CE1 3.63Å
422	E	79.9	Confident	86	Confident	142 Å²	142	56.2 Å²	56.2	66%	0.664	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	18.5	-177.8	-57.6	-66.5	171.1	0	0	114.6	G417 L420 M424	G417-E422 PolarHBondContact O-N 3.26Å; L420-E422 PolarHBondContact O-N 3.33Å; L420-E422 VanDerWaalsContact O-N 3.15Å; E422-M424 VanDerWaalsContact C-N 3.28Å
423	K	79.1	Confident	86.3	Confident	107 Å²	107	56.2 Å²	56.2	47%	0.465	32%	0.316	S	S	.	.	S	Bend	trans	-65.7	-34.6	171.6	-64.9	-70	-177.9	-175.7	0	111.6	L420 D421 F476	L420-K423 HydrophobicContact CB-CB 4.45Å; L420-K423 WeakPolarHBondContact O-CB 3.27Å; L420-K423 WeakPolarHBondContact O-CG 3.49Å; L420-K423 PolarHBondContact O-N 2.82Å; D421-K423 PolarHBondContact O-N 2.84Å; D421-K423 VanDerWaalsContact O-N 3.07Å; K423-F476 HydrophobicContact CB-CZ 4.14Å; K423-F476 HydrophobicContact CD-CE2 4.31Å; K423-F476 HydrophobicContact CD-CZ 4.48Å; K423-F476 WeakPolarHBondContact O-CZ 3.29Å
424	M	81.9	Confident	86.5	Confident	16 Å²	16	60.2 Å²	60.2	8%	0.079	34%	0.34	C	S	.	.	S	Bend	trans	-149.6	123.8	-179	-176	174.6	155.3	0	0	109.1	M416 G417 L420 E422 E428	M416-M424 CarbonylContact C-O 3.59Å; M416-M424 HydrophobicContact SD-CE 3.71Å; M416-M424 HydrophobicContact SD-CG 4.41Å; M416-M424 HydrophobicContact SD-SD 4.21Å; G417-M424 WeakPolarHBondContact CA-O 3.36Å; G417-M424 PolarHBondContact N-O 3.24Å; L420-M424 HydrophobicContact CD1-CB 4.05Å; E422-M424 VanDerWaalsContact C-N 3.28Å; M424-E428 HydrophobicContact CE-CB 4.07Å; M424-E428 HydrophobicContact CG-CB 3.62Å; M424-E428 HydrophobicContact CG-CG 4.02Å; M424-E428 HydrophobicContact SD-CB 4.28Å
425	A	86.7	Confident	86.8	Confident	17 Å²	17	61.3 Å²	61.3	14%	0.14	34%	0.339	C	S	.	.			trans	-134	-144.3	-174.1	0	0	0	0	0	110.5	G413 T427 E428 C429	G413-A425 CarbonylContact O-C 3.54Å; G413-A425 WeakPolarHBondContact O-CA 3.49Å; A425-T427 PolarHBondContact O-N 2.8Å; A425-E428 PolarHBondContact N-OE2 2.81Å; A425-C429 PolarHBondContact O-N 2.96Å; A425-C429 PolarHBondContact O-SG 2.73Å; A425-C429 VanDerWaalsContact O-SG 3.37Å
426	V	88.7	Confident	87.2	Confident	40 Å²	40	59.1 Å²	59.1	24%	0.242	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-39.7	-175.1	178.7	0	0	0	0	112.7	I410 C429 I430	I410-V426 HydrophobicContact CB-CG1 4.36Å; I410-V426 HydrophobicContact CG1-CG1 3.97Å; I410-V426 HydrophobicContact CG2-CG1 4.4Å; V426-C429 PolarHBondContact O-N 3.48Å; V426-I430 HydrophobicContact CG1-CD1 3.67Å; V426-I430 HydrophobicContact CG1-CG1 4.31Å; V426-I430 VanDerWaalsContact O-CG1 3.32Å; V426-I430 WeakPolarHBondContact O-CG1 3.41Å; V426-I430 PolarHBondContact O-N 2.78Å
427	T	91.3	Very high	87.3	Confident	91 Å²	91	60.7 Å²	60.7	56%	0.558	35%	0.348	S	S	*	.	H	α-helix	trans	-63.6	-47.8	-174.8	36.5	0	0	0	0	112.3	A425 I430 V431	A425-T427 PolarHBondContact O-N 2.8Å; T427-I430 PolarHBondContact O-N 2.76Å; T427-V431 WeakPolarHBondContact O-CG2 3.32Å; T427-V431 PolarHBondContact O-N 2.67Å
428	E	88.7	Confident	87.3	Confident	85 Å²	85	65.1 Å²	65.1	40%	0.397	37%	0.37	S	S	.	.	H	α-helix	trans	-69.1	-36.8	-179.1	-64	67.2	-134.8	0	0	111.3	M424 A425 V431 S432	M424-E428 HydrophobicContact CE-CB 4.07Å; M424-E428 HydrophobicContact CG-CB 3.62Å; M424-E428 HydrophobicContact CG-CG 4.02Å; M424-E428 HydrophobicContact SD-CB 4.28Å; A425-E428 PolarHBondContact N-OE2 2.81Å; E428-V431 PolarHBondContact O-N 3.36Å; E428-S432 WeakPolarHBondContact O-CB 3.32Å; E428-S432 PolarHBondContact O-N 2.91Å
429	C	88	Confident	87.6	Confident	9 Å²	9	65.8 Å²	65.8	6%	0.061	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-46.4	174.2	-74.8	0	0	0	0	111.8	A425 V426 S432 A433	A425-C429 PolarHBondContact O-N 2.96Å; A425-C429 PolarHBondContact O-SG 2.73Å; A425-C429 VanDerWaalsContact O-SG 3.37Å; V426-C429 PolarHBondContact O-N 3.48Å; C429-S432 PolarHBondContact O-N 2.9Å; C429-A433 WeakPolarHBondContact O-CB 3.49Å; C429-A433 PolarHBondContact O-N 2.92Å
430	I	91.5	Very high	87.7	Confident	52 Å²	52	64.6 Å²	64.6	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-48.2	178.4	-68	170	0	0	0	110.5	L406 L409 I410 V426 T427 S432 A433 V434	L406-I430 HydrophobicContact CD1-CD1 4.24Å; L409-I430 HydrophobicContact CB-CG1 4.34Å; I410-I430 HydrophobicContact CG1-CD1 4.36Å; V426-I430 HydrophobicContact CG1-CD1 3.67Å; V426-I430 HydrophobicContact CG1-CG1 4.31Å; V426-I430 VanDerWaalsContact O-CG1 3.32Å; V426-I430 WeakPolarHBondContact O-CG1 3.41Å; V426-I430 PolarHBondContact O-N 2.78Å; T427-I430 PolarHBondContact O-N 2.76Å; I430-S432 VanDerWaalsContact C-N 3.32Å; I430-S432 PolarHBondContact O-N 2.83Å; I430-A433 PolarHBondContact O-N 2.86Å; I430-V434 WeakPolarHBondContact O-CG2 3.23Å; I430-V434 PolarHBondContact O-N 3.41Å
431	V	92.1	Very high	87.7	Confident	88 Å²	88	65.8 Å²	65.8	53%	0.533	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-42.9	179.7	172.6	0	0	0	0	110.9	T427 E428 V434 I435	T427-V431 WeakPolarHBondContact O-CG2 3.32Å; T427-V431 PolarHBondContact O-N 2.67Å; E428-V431 PolarHBondContact O-N 3.36Å; V431-V434 PolarHBondContact O-N 3.28Å; V431-I435 HydrophobicContact CG1-CD1 3.91Å; V431-I435 WeakPolarHBondContact O-CG1 3.37Å; V431-I435 PolarHBondContact O-N 3.37Å; V431-I435 VanDerWaalsContact O-N 3.1Å
432	S	89.6	Confident	88	Confident	67 Å²	67	65.2 Å²	65.2	47%	0.469	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-42.6	177.1	-177.2	0	0	0	0	112.4	E428 C429 I430 I435 S436	E428-S432 WeakPolarHBondContact O-CB 3.32Å; E428-S432 PolarHBondContact O-N 2.91Å; C429-S432 PolarHBondContact O-N 2.9Å; I430-S432 VanDerWaalsContact C-N 3.32Å; I430-S432 PolarHBondContact O-N 2.83Å; S432-I435 PolarHBondContact O-N 3.38Å; S432-S436 WeakPolarHBondContact O-CB 3.35Å; S432-S436 PolarHBondContact O-N 3.39Å; S432-S436 PolarHBondContact O-OG 2.9Å
433	A	89.7	Confident	88.3	Confident	21 Å²	21	66.5 Å²	66.5	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-65.6	-38.1	177.8	0	0	0	0	0	112.7	L409 C429 I430 S436 G437	L409-A433 HydrophobicContact CD1-CB 3.47Å; L409-A433 VanDerWaalsContact CD1-CB 3.47Å; L409-A433 HydrophobicContact CD2-CB 3.47Å; L409-A433 VanDerWaalsContact CD2-CB 3.47Å; L409-A433 HydrophobicContact CG-CB 4.12Å; C429-A433 WeakPolarHBondContact O-CB 3.49Å; C429-A433 PolarHBondContact O-N 2.92Å; I430-A433 PolarHBondContact O-N 2.86Å; A433-S436 WeakPolarHBondContact CA-OG 3.33Å; A433-S436 PolarHBondContact O-OG 2.72Å; A433-G437 WeakPolarHBondContact O-CA 3.34Å; A433-G437 PolarHBondContact O-N 3.48Å
434	V	90.8	Very high	88.3	Confident	84 Å²	84	63.6 Å²	63.6	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-63.1	-49.2	174.9	170.8	0	0	0	0	110.8	I430 V431 I438	I430-V434 WeakPolarHBondContact O-CG2 3.23Å; I430-V434 PolarHBondContact O-N 3.41Å; V431-V434 PolarHBondContact O-N 3.28Å; V434-I438 HydrophobicContact CG1-CD1 3.92Å; V434-I438 VanDerWaalsContact O-CG1 3.27Å; V434-I438 WeakPolarHBondContact O-CG1 3.4Å; V434-I438 PolarHBondContact O-N 2.79Å
435	I	92.6	Very high	87.9	Confident	97 Å²	97	64.2 Å²	64.2	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-63.3	-49.7	-178.7	-65.8	168.3	0	0	0	110.6	V431 S432 I438 L439	V431-I435 HydrophobicContact CG1-CD1 3.91Å; V431-I435 WeakPolarHBondContact O-CG1 3.37Å; V431-I435 PolarHBondContact O-N 3.37Å; V431-I435 VanDerWaalsContact O-N 3.1Å; S432-I435 PolarHBondContact O-N 3.38Å; I435-I438 PolarHBondContact O-N 2.99Å; I435-L439 HydrophobicContact CG2-CD1 4.17Å; I435-L439 WeakPolarHBondContact O-CG 3.5Å; I435-L439 PolarHBondContact O-N 2.87Å; I435-L439 VanDerWaalsContact O-N 3.1Å
436	S	89.4	Confident	87.4	Confident	37 Å²	37	69.6 Å²	69.6	26%	0.259	40%	0.398	S	S	.	.	H	α-helix	trans	-66.6	-38.7	-179.3	55.9	0	0	0	0	112.6	S432 A433 L439 M440	S432-S436 WeakPolarHBondContact O-CB 3.35Å; S432-S436 PolarHBondContact O-N 3.39Å; S432-S436 PolarHBondContact O-OG 2.9Å; A433-S436 WeakPolarHBondContact CA-OG 3.33Å; A433-S436 PolarHBondContact O-OG 2.72Å; S436-L439 PolarHBondContact O-N 3.04Å; S436-M440 VanDerWaalsContact O-CB 3.27Å; S436-M440 WeakPolarHBondContact O-CB 3.42Å; S436-M440 PolarHBondContact O-N 3.11Å
437	G	87.9	Confident	86.5	Confident	34 Å²	34	71.3 Å²	71.3	35%	0.351	41%	0.41	S	S	.	.	H	α-helix	trans	-63.2	-41.3	176	0	0	0	0	0	112.9	A433 G441	A433-G437 WeakPolarHBondContact O-CA 3.34Å; A433-G437 PolarHBondContact O-N 3.48Å; G437-G441 PolarHBondContact O-N 2.97Å
438	I	89.5	Confident	85.5	Confident	94 Å²	94	73.9 Å²	73.9	48%	0.482	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-49	174.8	-71.2	169.8	0	0	0	110.6	V434 I435 M440 G441 F442	V434-I438 HydrophobicContact CG1-CD1 3.92Å; V434-I438 VanDerWaalsContact O-CG1 3.27Å; V434-I438 WeakPolarHBondContact O-CG1 3.4Å; V434-I438 PolarHBondContact O-N 2.79Å; I435-I438 PolarHBondContact O-N 2.99Å; I438-M440 PolarHBondContact O-N 3.4Å; I438-G441 PolarHBondContact O-N 2.83Å; I438-F442 HydrophobicContact CG2-CD2 3.72Å; I438-F442 HydrophobicContact CG2-CE2 3.77Å; I438-F442 VanDerWaalsContact O-CD2 3.24Å; I438-F442 WeakPolarHBondContact O-CD2 3.24Å; I438-F442 PolarHBondContact O-N 3.33Å; I438-F442 VanDerWaalsContact O-N 3.08Å
439	L	90.1	Very high	85	Confident	96 Å²	96	72.7 Å²	72.7	50%	0.503	42%	0.421	S	S	.	.	H	α-helix	trans	-61.4	-43.9	179.5	-69.9	174.5	0	0	0	111.7	I435 S436 F442 F443	I435-L439 HydrophobicContact CG2-CD1 4.17Å; I435-L439 WeakPolarHBondContact O-CG 3.5Å; I435-L439 PolarHBondContact O-N 2.87Å; I435-L439 VanDerWaalsContact O-N 3.1Å; S436-L439 PolarHBondContact O-N 3.04Å; L439-F442 PolarHBondContact O-N 3.41Å; L439-F443 HydrophobicContact CD2-CD2 4.32Å; L439-F443 HydrophobicContact CD2-CE2 4.12Å; L439-F443 WeakPolarHBondContact O-CB 3.31Å; L439-F443 VanDerWaalsContact O-CD2 3.31Å; L439-F443 WeakPolarHBondContact O-CD2 3.23Å; L439-F443 PolarHBondContact O-N 3.25Å
440	M	87.6	Confident	84.4	Confident	60 Å²	60	76.4 Å²	76.4	30%	0.296	44%	0.439	S	S	.	.	H	α-helix	trans	-61.3	-47.7	176.1	-171.9	62.6	65.9	0	0	110.8	S436 I438 F442 F443 A444 C449 M451	S436-M440 VanDerWaalsContact O-CB 3.27Å; S436-M440 WeakPolarHBondContact O-CB 3.42Å; S436-M440 PolarHBondContact O-N 3.11Å; I438-M440 PolarHBondContact O-N 3.4Å; M440-F442 VanDerWaalsContact C-N 3.28Å; M440-F442 PolarHBondContact O-N 3.3Å; M440-F443 PolarHBondContact O-N 3.48Å; M440-A444 HydrophobicContact CG-CB 3.94Å; M440-A444 WeakPolarHBondContact O-CB 3.27Å; M440-A444 PolarHBondContact O-N 2.92Å; M440-A444 HydrophobicContact SD-CB 3.17Å; M440-A444 WeakPolarHBondContact SD-CB 3.27Å; M440-C449 HydrophobicContact CG-CB 4.39Å; M440-M451 HydrophobicContact CB-CG 4.15Å; M440-M451 HydrophobicContact CE-CE 3.88Å; M440-M451 HydrophobicContact CE-CG 4.3Å; M440-M451 HydrophobicContact CE-SD 3.45Å; M440-M451 WeakPolarHBondContact CE-SD 3.27Å; M440-M451 HydrophobicContact CG-CG 4.03Å; M440-M451 HydrophobicContact CG-SD 4.27Å; M440-M451 HydrophobicContact SD-SD 4.47Å
441	G	85.7	Confident	83.9	Confident	27 Å²	27	77.6 Å²	77.6	28%	0.278	44%	0.444	S	S	.	.	H	α-helix	trans	-58.3	-37	179.6	0	0	0	0	0	113.7	G437 I438	G437-G441 PolarHBondContact O-N 2.97Å; I438-G441 PolarHBondContact O-N 2.83Å
442	F	87.1	Confident	83.4	Confident	106 Å²	106	75.3 Å²	75.3	47%	0.465	43%	0.432	S	S	.	.	H	α-helix	trans	-84.6	-30.7	179.7	-79.1	-65.6	0	0	0	114.6	Y377 F381 I438 L439 M440	Y377-F442 PolarHBondContact OH-O 3.11Å; F381-F442 HydrophobicContact CE1-CE1 4.31Å; F381-F442 HydrophobicContact CZ-CD1 4.22Å; F381-F442 HydrophobicContact CZ-CE1 4.11Å; I438-F442 HydrophobicContact CG2-CD2 3.72Å; I438-F442 HydrophobicContact CG2-CE2 3.77Å; I438-F442 VanDerWaalsContact O-CD2 3.24Å; I438-F442 WeakPolarHBondContact O-CD2 3.24Å; I438-F442 PolarHBondContact O-N 3.33Å; I438-F442 VanDerWaalsContact O-N 3.08Å; L439-F442 PolarHBondContact O-N 3.41Å; M440-F442 VanDerWaalsContact C-N 3.28Å; M440-F442 PolarHBondContact O-N 3.3Å
443	F	85.9	Confident	82.9	Confident	169 Å²	169	73.2 Å²	73.2	74%	0.741	42%	0.419	S	S	*	.	H	α-helix	trans	-118	-11.9	-167.2	-63.3	-70.7	0	0	0	115.3	L439 M440 G445	L439-F443 HydrophobicContact CD2-CD2 4.32Å; L439-F443 HydrophobicContact CD2-CE2 4.12Å; L439-F443 WeakPolarHBondContact O-CB 3.31Å; L439-F443 VanDerWaalsContact O-CD2 3.31Å; L439-F443 WeakPolarHBondContact O-CD2 3.23Å; L439-F443 PolarHBondContact O-N 3.25Å; M440-F443 PolarHBondContact O-N 3.48Å; F443-G445 PolarHBondContact O-N 3.42Å
444	A	78.9	Confident	82.6	Confident	45 Å²	45	76 Å²	76	37%	0.372	43%	0.434	S	S	.	.	S	Bend	trans	-82.9	-10.3	-170	0	0	0	0	0	115.6	M440 Q446	M440-A444 HydrophobicContact CG-CB 3.94Å; M440-A444 WeakPolarHBondContact O-CB 3.27Å; M440-A444 PolarHBondContact O-N 2.92Å; M440-A444 HydrophobicContact SD-CB 3.17Å; M440-A444 WeakPolarHBondContact SD-CB 3.27Å; A444-Q446 PolarHBondContact O-N 2.97Å
445	G	73.4	Confident	82.2	Confident	30 Å²	30	73.5 Å²	73.5	31%	0.309	43%	0.425	S	S	.	.	S	Bend	trans	68.3	-5.2	-170	0	0	0	0	0	114.6	R373 F443	R373-G445 VanDerWaalsContact CZ-O 3.3Å; R373-G445 PolarHBondContact NE-O 3.21Å; F443-G445 PolarHBondContact O-N 3.42Å
446	Q	77.7	Confident	81.9	Confident	129 Å²	129	73.3 Å²	73.3	60%	0.603	43%	0.43	S	S	*	.			trans	-135.7	82.5	178	-170.9	175.9	-10.4	0	0	110.7	A444 L448 C449	A444-Q446 PolarHBondContact O-N 2.97Å; Q446-L448 PolarHBondContact O-N 3.28Å; Q446-L448 VanDerWaalsContact O-N 3.12Å; Q446-C449 WeakPolarHBondContact O-CB 3.31Å; Q446-C449 PolarHBondContact O-N 3.37Å
447	P	68.4	Low	81.8	Confident	76 Å²	76	75 Å²	75	49%	0.494	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.7	-174.5	27.5	-35	0	0	0	114.2	C449	P447-C449 VanDerWaalsContact C-N 3.27Å; P447-C449 PolarHBondContact O-N 3.04Å
448	L	70.4	Confident	81.7	Confident	145 Å²	145	74.4 Å²	74.4	76%	0.759	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.2	176.3	-69.3	171.4	0	0	0	113.5	Q446 I450	Q446-L448 PolarHBondContact O-N 3.28Å; Q446-L448 VanDerWaalsContact O-N 3.12Å; L448-I450 PolarHBondContact O-N 2.92Å
449	C	78.3	Confident	81.7	Confident	61 Å²	61	75.1 Å²	75.1	41%	0.412	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-69.7	123.3	179.9	-170.7	0	0	0	0	111	M440 Q446 P447	M440-C449 HydrophobicContact CG-CB 4.39Å; Q446-C449 WeakPolarHBondContact O-CB 3.31Å; Q446-C449 PolarHBondContact O-N 3.37Å; P447-C449 VanDerWaalsContact C-N 3.27Å; P447-C449 PolarHBondContact O-N 3.04Å
450	I	76.1	Confident	81.8	Confident	86 Å²	86	75.5 Å²	75.5	44%	0.441	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-90.5	116.6	178.1	-62.5	172.1	0	0	0	109	L401 N405 L448	L401-I450 HydrophobicContact CD2-CD1 3.49Å; L401-I450 VanDerWaalsContact CD2-CD1 3.49Å; L401-I450 HydrophobicContact CD2-CG1 4.09Å; N405-I450 WeakPolarHBondContact OD1-CG2 3.24Å; L448-I450 PolarHBondContact O-N 2.92Å
451	M	81.7	Confident	81.9	Confident	78 Å²	78	73.2 Å²	73.2	38%	0.384	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-86	117.9	173.3	-65	-63.6	-71.6	0	0	109.5	M440	M440-M451 HydrophobicContact CB-CG 4.15Å; M440-M451 HydrophobicContact CE-CE 3.88Å; M440-M451 HydrophobicContact CE-CG 4.3Å; M440-M451 HydrophobicContact CE-SD 3.45Å; M440-M451 WeakPolarHBondContact CE-SD 3.27Å; M440-M451 HydrophobicContact CG-CG 4.03Å; M440-M451 HydrophobicContact CG-SD 4.27Å; M440-M451 HydrophobicContact SD-SD 4.47Å
452	S	80	Confident	82.1	Confident	39 Å²	39	73 Å²	73	27%	0.273	41%	0.408	S	S	.	.			trans	-139	151.4	169.3	-162.5	0	0	0	0	110.1	N408	N408-S452 PolarHBondContact ND2-OG 3.39Å
453	A	79.3	Confident	82.5	Confident	23 Å²	23	72.7 Å²	72.7	19%	0.19	41%	0.411	C	S	.	.			trans	-68.2	146.7	170.6	0	0	0	0	0	110	F412 L457	F412-A453 HydrophobicContact CD1-CB 3.63Å; F412-A453 HydrophobicContact CD2-CB 3.94Å; F412-A453 HydrophobicContact CE1-CB 3.3Å; F412-A453 HydrophobicContact CE2-CB 3.63Å; F412-A453 HydrophobicContact CG-CB 3.93Å; F412-A453 HydrophobicContact CZ-CB 3.32Å; A453-L457 HydrophobicContact CB-CD2 3.9Å
454	T	84.3	Confident	82.8	Confident	80 Å²	80	65.8 Å²	65.8	49%	0.491	38%	0.38	S	S	.	.			trans	-113.3	156.4	-178.8	60.8	0	0	0	0	110.2	P456 L457 L458	T454-P456 VanDerWaalsContact C-CD 3.46Å; T454-P456 VanDerWaalsContact C-N 3.3Å; T454-L457 VanDerWaalsContact O-CB 3.29Å; T454-L457 WeakPolarHBondContact O-CB 3.36Å; T454-L457 PolarHBondContact O-N 2.86Å; T454-L458 PolarHBondContact O-N 2.76Å
455	G	81.7	Confident	83.4	Confident	31 Å²	31	64.3 Å²	64.3	32%	0.32	37%	0.366	S	S	.	.	H	α-helix	trans	-49	-42.2	176.6	0	0	0	0	0	114.7	L457 L458 I459	G455-L457 VanDerWaalsContact C-N 3.28Å; G455-L457 PolarHBondContact O-N 3.32Å; G455-L458 WeakPolarHBondContact O-CB 3.14Å; G455-L458 PolarHBondContact O-N 2.81Å; G455-L458 VanDerWaalsContact O-N 3.16Å; G455-I459 PolarHBondContact O-N 3.05Å; G455-I459 VanDerWaalsContact O-N 3.13Å
456	P	86.7	Confident	84.3	Confident	94 Å²	94	67.8 Å²	67.8	61%	0.61	37%	0.374	S	S	*	.	H	α-helix	trans	-58.7	-33.9	174.1	-28.2	36.5	0	0	0	114.6	T454 F460	T454-P456 VanDerWaalsContact C-CD 3.46Å; T454-P456 VanDerWaalsContact C-N 3.3Å; P456-F460 WeakPolarHBondContact O-CB 3.38Å; P456-F460 PolarHBondContact O-N 3.47Å
457	L	87.7	Confident	85.1	Confident	72 Å²	72	65.1 Å²	65.1	38%	0.377	36%	0.36	S	S	.	.	H	α-helix	trans	-66.5	-42	176.2	-175	71	0	0	0	111	A453 T454 G455 F460 E461	A453-L457 HydrophobicContact CB-CD2 3.9Å; T454-L457 VanDerWaalsContact O-CB 3.29Å; T454-L457 WeakPolarHBondContact O-CB 3.36Å; T454-L457 PolarHBondContact O-N 2.86Å; G455-L457 VanDerWaalsContact C-N 3.28Å; G455-L457 PolarHBondContact O-N 3.32Å; L457-F460 PolarHBondContact O-N 3.5Å; L457-E461 HydrophobicContact CG-CG 4.45Å; L457-E461 WeakPolarHBondContact O-CB 3.43Å; L457-E461 WeakPolarHBondContact O-CG 3.48Å; L457-E461 PolarHBondContact O-N 3.04Å
458	L	84.9	Confident	86.3	Confident	22 Å²	22	61.5 Å²	61.5	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-58.8	-51.7	176.3	177.4	66.1	0	0	0	110.8	F412 I415 M416 M419 T454 G455 F460 E461 T462	F412-L458 HydrophobicContact CE2-CB 3.7Å; F412-L458 HydrophobicContact CZ-CB 3.92Å; F412-L458 HydrophobicContact CZ-CD1 4.47Å; I415-L458 HydrophobicContact CG2-CD2 3.72Å; M416-L458 HydrophobicContact CB-CD1 3.87Å; M416-L458 HydrophobicContact CE-CD1 3.91Å; M416-L458 HydrophobicContact CG-CD1 4.29Å; M419-L458 HydrophobicContact CE-CD2 4.27Å; M419-L458 HydrophobicContact SD-CD1 3.94Å; M419-L458 HydrophobicContact SD-CD2 3.97Å; M419-L458 HydrophobicContact SD-CG 3.95Å; T454-L458 PolarHBondContact O-N 2.76Å; G455-L458 WeakPolarHBondContact O-CB 3.14Å; G455-L458 PolarHBondContact O-N 2.81Å; G455-L458 VanDerWaalsContact O-N 3.16Å; L458-F460 VanDerWaalsContact C-N 3.27Å; L458-F460 PolarHBondContact O-N 3.38Å; L458-E461 PolarHBondContact O-N 3Å; L458-T462 PolarHBondContact O-N 2.83Å; L458-T462 PolarHBondContact O-OG1 3.38Å; L458-T462 VanDerWaalsContact O-OG1 3.05Å
459	I	89.4	Confident	87.2	Confident	108 Å²	108	62.8 Å²	62.8	55%	0.554	33%	0.333	S	S	*	.	H	α-helix	trans	-58.3	-44	-179.9	-63.5	168.2	0	0	0	110.4	G455 T462 L463	G455-I459 PolarHBondContact O-N 3.05Å; G455-I459 VanDerWaalsContact O-N 3.13Å; I459-T462 PolarHBondContact O-N 2.72Å; I459-L463 HydrophobicContact CG2-CD1 3.91Å; I459-L463 HydrophobicContact CG2-CG 4.42Å; I459-L463 WeakPolarHBondContact O-CB 3.39Å; I459-L463 VanDerWaalsContact O-CG 3.27Å; I459-L463 WeakPolarHBondContact O-CG 3.49Å; I459-L463 PolarHBondContact O-N 2.9Å
460	F	91.7	Very high	88	Confident	105 Å²	105	66.9 Å²	66.9	46%	0.461	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-44.6	178.2	178.9	-97.6	0	0	0	112.5	P456 L457 L458 L463 F464 L482	P456-F460 WeakPolarHBondContact O-CB 3.38Å; P456-F460 PolarHBondContact O-N 3.47Å; L457-F460 PolarHBondContact O-N 3.5Å; L458-F460 VanDerWaalsContact C-N 3.27Å; L458-F460 PolarHBondContact O-N 3.38Å; F460-L463 PolarHBondContact O-N 2.77Å; F460-F464 VanDerWaalsContact O-CB 3.22Å; F460-F464 WeakPolarHBondContact O-CB 3.24Å; F460-F464 PolarHBondContact O-N 2.84Å; F460-L482 HydrophobicContact CE1-CD2 3.69Å; F460-L482 HydrophobicContact CZ-CD1 4.48Å; F460-L482 HydrophobicContact CZ-CD2 3.92Å
461	E	90.6	Very high	88.9	Confident	12 Å²	12	69.2 Å²	69.2	6%	0.056	35%	0.349	C	S	.	.	H	α-helix	trans	-64.4	-40.3	177.5	-72.5	-84.6	-158.2	0	0	111.6	M416 L457 L458 F464 H465 R479	M416-E461 HydrophobicContact CE-CB 4.26Å; M416-E461 HydrophobicContact CE-CG 4.24Å; L457-E461 HydrophobicContact CG-CG 4.45Å; L457-E461 WeakPolarHBondContact O-CB 3.43Å; L457-E461 WeakPolarHBondContact O-CG 3.48Å; L457-E461 PolarHBondContact O-N 3.04Å; L458-E461 PolarHBondContact O-N 3Å; E461-F464 PolarHBondContact O-N 2.91Å; E461-H465 WeakPolarHBondContact O-CB 3.25Å; E461-H465 PolarHBondContact O-N 2.82Å; E461-R479 IonicContact OE1-CZ 2.8Å; E461-R479 IonicContact OE1-NE 2.82Å; E461-R479 PolarHBondContact OE1-NE 3.31Å; E461-R479 IonicContact OE1-NH2 3.25Å; E461-R479 PolarHBondContact OE1-NH2 2.87Å; E461-R479 IonicContact OE2-NE 2.8Å; E461-R479 PolarHBondContact OE2-NE 2.89Å
462	T	90.4	Very high	89.5	Confident	23 Å²	23	72.8 Å²	72.8	14%	0.141	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-50.2	175.2	-56.5	0	0	0	0	111.3	M419 L458 I459 F464 H465 E466	M419-T462 HydrophobicContact CB-CG2 4.28Å; L458-T462 PolarHBondContact O-N 2.83Å; L458-T462 PolarHBondContact O-OG1 3.38Å; L458-T462 VanDerWaalsContact O-OG1 3.05Å; I459-T462 PolarHBondContact O-N 2.72Å; T462-F464 VanDerWaalsContact C-N 3.27Å; T462-F464 PolarHBondContact O-N 3.3Å; T462-H465 WeakPolarHBondContact O-CB 3.25Å; T462-H465 PolarHBondContact O-N 2.85Å; T462-E466 WeakPolarHBondContact O-CG 3.39Å; T462-E466 PolarHBondContact O-N 3.45Å
463	L	94.2	Very high	90.1	Very high	99 Å²	99	77 Å²	77	52%	0.518	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-36.9	177.4	-70.2	172.5	0	0	0	111.9	I459 F460 F467	I459-L463 HydrophobicContact CG2-CD1 3.91Å; I459-L463 HydrophobicContact CG2-CG 4.42Å; I459-L463 WeakPolarHBondContact O-CB 3.39Å; I459-L463 VanDerWaalsContact O-CG 3.27Å; I459-L463 WeakPolarHBondContact O-CG 3.49Å; I459-L463 PolarHBondContact O-N 2.9Å; F460-L463 PolarHBondContact O-N 2.77Å; L463-F467 VanDerWaalsContact O-CB 3.32Å; L463-F467 WeakPolarHBondContact O-CB 3.38Å; L463-F467 PolarHBondContact O-N 2.99Å
464	F	93.5	Very high	90.7	Very high	23 Å²	23	81.9 Å²	81.9	10%	0.101	40%	0.403	C	S	.	.	H	α-helix	trans	-70.3	-36.3	177.9	-176.7	-109.8	0	0	0	112.4	F460 E461 T462 F467 C468 F475 T478 R479 L482	F460-F464 VanDerWaalsContact O-CB 3.22Å; F460-F464 WeakPolarHBondContact O-CB 3.24Å; F460-F464 PolarHBondContact O-N 2.84Å; E461-F464 PolarHBondContact O-N 2.91Å; T462-F464 VanDerWaalsContact C-N 3.27Å; T462-F464 PolarHBondContact O-N 3.3Å; F464-F467 PolarHBondContact O-N 2.91Å; F464-C468 PolarHBondContact O-N 2.91Å; F464-C468 PolarHBondContact O-SG 3.26Å; F464-F475 HydrophobicContact CD1-CD2 4.32Å; F464-F475 AromaticContact CD1-CE2 3.85Å; F464-F475 HydrophobicContact CD1-CE2 3.85Å; F464-F475 HydrophobicContact CE1-CD2 4.4Å; F464-F475 HydrophobicContact CE1-CE2 4.27Å; F464-T478 HydrophobicContact CE2-CG2 4.25Å; F464-T478 HydrophobicContact CZ-CG2 3.61Å; F464-R479 HydrophobicContact CE1-CB 3.9Å; F464-R479 HydrophobicContact CE1-CG 4.44Å; F464-L482 HydrophobicContact CD1-CD2 4.04Å; F464-L482 HydrophobicContact CD2-CD2 4.01Å; F464-L482 HydrophobicContact CE1-CD2 3.91Å; F464-L482 HydrophobicContact CE2-CD1 4.49Å; F464-L482 HydrophobicContact CE2-CD2 3.87Å; F464-L482 HydrophobicContact CG-CD2 4.08Å; F464-L482 HydrophobicContact CZ-CB 4.17Å; F464-L482 HydrophobicContact CZ-CD2 3.81Å
465	H	91.3	Very high	91	Very high	15 Å²	15	78.8 Å²	78.8	7%	0.069	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-47.8	172.6	-178.7	-104	0	0	0	111.5	L420 D421 E461 T462 F467 C468 Y469 F475	L420-H465 HydrophobicContact CD2-CB 3.31Å; D421-H465 IonicContact OD2-CE1 3.63Å; E461-H465 WeakPolarHBondContact O-CB 3.25Å; E461-H465 PolarHBondContact O-N 2.82Å; T462-H465 WeakPolarHBondContact O-CB 3.25Å; T462-H465 PolarHBondContact O-N 2.85Å; H465-F467 VanDerWaalsContact C-N 3.32Å; H465-F467 PolarHBondContact O-N 2.78Å; H465-C468 PolarHBondContact O-N 2.96Å; H465-Y469 WeakPolarHBondContact O-CB 3.17Å; H465-Y469 PolarHBondContact O-N 2.79Å; H465-F475 HydrophobicContact CB-CD2 4.17Å; H465-F475 HydrophobicContact CB-CE2 3.83Å; H465-F475 AromaticContact CD2-CD2 3.69Å; H465-F475 AromaticContact CD2-CE2 3.94Å; H465-F475 AromaticContact CD2-CG 3.86Å
466	E	92.4	Very high	91.5	Very high	102 Å²	102	82.6 Å²	82.6	48%	0.477	39%	0.39	S	S	.	.	H	α-helix	trans	-57.5	-45.2	174	-71.4	177.4	176.4	0	0	111.3	T462 C468 Y469 E470	T462-E466 WeakPolarHBondContact O-CG 3.39Å; T462-E466 PolarHBondContact O-N 3.45Å; E466-C468 VanDerWaalsContact C-N 3.35Å; E466-C468 PolarHBondContact O-N 3.09Å; E466-Y469 WeakPolarHBondContact O-CB 3.48Å; E466-Y469 PolarHBondContact O-N 2.76Å; E466-Y469 VanDerWaalsContact O-N 3.15Å; E466-E470 WeakPolarHBondContact O-CG 3.33Å; E466-E470 PolarHBondContact O-N 2.82Å
467	F	94.5	Very high	91.9	Very high	73 Å²	73	81.4 Å²	81.4	32%	0.32	38%	0.383	S	S	.	.	H	α-helix	trans	-61	-41	177	178.7	-95	0	0	0	113	L463 F464 H465 Y469 R471 W473	L463-F467 VanDerWaalsContact O-CB 3.32Å; L463-F467 WeakPolarHBondContact O-CB 3.38Å; L463-F467 PolarHBondContact O-N 2.99Å; F464-F467 PolarHBondContact O-N 2.91Å; H465-F467 VanDerWaalsContact C-N 3.32Å; H465-F467 PolarHBondContact O-N 2.78Å; F467-Y469 VanDerWaalsContact C-N 3.34Å; F467-R471 HydrophobicContact CE1-CG 4.5Å; F467-R471 HydrophobicContact CE2-CG 4.49Å; F467-R471 HydrophobicContact CZ-CG 4.32Å; F467-R471 WeakPolarHBondContact O-CG 3.48Å; F467-R471 PolarHBondContact O-N 2.81Å; F467-W473 HydrophobicContact CE1-CE3 4.14Å; F467-W473 HydrophobicContact CE1-CH2 4.42Å; F467-W473 AromaticContact CE1-CZ3 3.75Å; F467-W473 HydrophobicContact CE1-CZ3 3.75Å; F467-W473 HydrophobicContact CZ-CZ3 4.43Å
468	C	93.6	Very high	92.3	Very high	1 Å²	1	79.4 Å²	79.4	1%	0.007	37%	0.374	C	S	.	.	H	α-helix	trans	-66.6	-39.7	175.6	-69.5	0	0	0	0	111	F464 H465 E466 R471 D472 W473 F475	F464-C468 PolarHBondContact O-N 2.91Å; F464-C468 PolarHBondContact O-SG 3.26Å; H465-C468 PolarHBondContact O-N 2.96Å; E466-C468 VanDerWaalsContact C-N 3.35Å; E466-C468 PolarHBondContact O-N 3.09Å; C468-R471 PolarHBondContact O-N 2.84Å; C468-D472 PolarHBondContact O-N 3.09Å; C468-W473 HydrophobicContact CB-CB 4.31Å; C468-W473 PolarHBondContact O-N 3.4Å; C468-F475 HydrophobicContact CB-CD2 4.48Å
469	Y	89.9	Confident	92.6	Very high	172 Å²	172	81.3 Å²	81.3	68%	0.675	38%	0.379	S	S	*	.	H	α-helix	trans	-63.2	-47.2	178	-174	-95.7	0	0	0	111.8	H465 E466 F467 R471 D472	H465-Y469 WeakPolarHBondContact O-CB 3.17Å; H465-Y469 PolarHBondContact O-N 2.79Å; E466-Y469 WeakPolarHBondContact O-CB 3.48Å; E466-Y469 PolarHBondContact O-N 2.76Å; E466-Y469 VanDerWaalsContact O-N 3.15Å; F467-Y469 VanDerWaalsContact C-N 3.34Å; Y469-R471 PolarHBondContact O-N 3.32Å; Y469-R471 VanDerWaalsContact O-N 3.16Å; Y469-D472 PolarHBondContact O-N 2.92Å; Y469-D472 VanDerWaalsContact O-N 3.16Å
470	E	95	Very high	92.9	Very high	147 Å²	147	82 Å²	82	69%	0.687	38%	0.379	S	S	*	.	H	α-helix	trans	-61.3	-24.8	177.5	-73.3	-174.9	170.6	0	0	113.8	E466	E466-E470 WeakPolarHBondContact O-CG 3.33Å; E466-E470 PolarHBondContact O-N 2.82Å
471	R	94.4	Very high	93.1	Very high	134 Å²	134	84 Å²	84	51%	0.506	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	3.6	-178.6	-62.4	-62.7	-179	86.8	0.5	113.6	F467 C468 Y469 W473	F467-R471 HydrophobicContact CE1-CG 4.5Å; F467-R471 HydrophobicContact CE2-CG 4.49Å; F467-R471 HydrophobicContact CZ-CG 4.32Å; F467-R471 WeakPolarHBondContact O-CG 3.48Å; F467-R471 PolarHBondContact O-N 2.81Å; C468-R471 PolarHBondContact O-N 2.84Å; Y469-R471 PolarHBondContact O-N 3.32Å; Y469-R471 VanDerWaalsContact O-N 3.16Å; R471-W473 HydrophobicContact CB-CD2 3.93Å; R471-W473 HydrophobicContact CB-CG 3.86Å; R471-W473 PolarHBondContact O-N 3.4Å; R471-W473 PolarHBondContact O-NE1 3.48Å
472	D	93.3	Very high	93.3	Very high	153 Å²	153	86.4 Å²	86.4	82%	0.818	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.9	-171.4	-67.3	-48.9	0	0	0	112.5	C468 Y469	C468-D472 PolarHBondContact O-N 3.09Å; Y469-D472 PolarHBondContact O-N 2.92Å; Y469-D472 VanDerWaalsContact O-N 3.16Å
473	W	93.5	Very high	93.4	Very high	128 Å²	128	88.2 Å²	88.2	49%	0.485	41%	0.409	S	S	.	.			trans	-91.4	136.6	178	-70.7	2.8	0	0	0	110.5	F467 C468 R471 F475 T478	F467-W473 HydrophobicContact CE1-CE3 4.14Å; F467-W473 HydrophobicContact CE1-CH2 4.42Å; F467-W473 AromaticContact CE1-CZ3 3.75Å; F467-W473 HydrophobicContact CE1-CZ3 3.75Å; F467-W473 HydrophobicContact CZ-CZ3 4.43Å; C468-W473 HydrophobicContact CB-CB 4.31Å; C468-W473 PolarHBondContact O-N 3.4Å; R471-W473 HydrophobicContact CB-CD2 3.93Å; R471-W473 HydrophobicContact CB-CG 3.86Å; R471-W473 PolarHBondContact O-N 3.4Å; R471-W473 PolarHBondContact O-NE1 3.48Å; W473-F475 PolarHBondContact O-N 3.27Å; W473-F475 VanDerWaalsContact O-N 3.12Å; W473-T478 HydrophobicContact CE3-CG2 3.85Å; W473-T478 HydrophobicContact CZ3-CG2 4.39Å
474	N	92.8	Very high	93.6	Very high	126 Å²	126	88 Å²	88	67%	0.674	40%	0.404	S	S	*	.			trans	-63.4	118.5	173.9	-72.3	-58.4	0	0	0	109.8	F476 P477 T478	N474-F476 PolarHBondContact O-N 2.98Å; N474-P477 HydrophobicContact CB-CG 3.88Å; N474-P477 WeakPolarHBondContact O-CD 3.26Å; N474-T478 WeakPolarHBondContact O-CB 3.49Å; N474-T478 PolarHBondContact O-N 2.85Å; N474-T478 PolarHBondContact O-OG1 3.13Å
475	F	90.5	Very high	93.7	Very high	14 Å²	14	94.1 Å²	94.1	6%	0.061	43%	0.427	C	S	.	.	H	α-helix	trans	-56.7	-53.2	-175.7	176.5	-112.1	0	0	0	112.7	L420 F464 H465 C468 W473 T478 R479	L420-F475 HydrophobicContact CD2-CZ 4.27Å; F464-F475 HydrophobicContact CD1-CD2 4.32Å; F464-F475 AromaticContact CD1-CE2 3.85Å; F464-F475 HydrophobicContact CD1-CE2 3.85Å; F464-F475 HydrophobicContact CE1-CD2 4.4Å; F464-F475 HydrophobicContact CE1-CE2 4.27Å; H465-F475 HydrophobicContact CB-CD2 4.17Å; H465-F475 HydrophobicContact CB-CE2 3.83Å; H465-F475 AromaticContact CD2-CD2 3.69Å; H465-F475 AromaticContact CD2-CE2 3.94Å; H465-F475 AromaticContact CD2-CG 3.86Å; C468-F475 HydrophobicContact CB-CD2 4.48Å; W473-F475 PolarHBondContact O-N 3.27Å; W473-F475 VanDerWaalsContact O-N 3.12Å; F475-T478 PolarHBondContact O-N 3.44Å; F475-R479 VanDerWaalsContact O-CB 3.23Å; F475-R479 WeakPolarHBondContact O-CB 3.12Å; F475-R479 PolarHBondContact O-N 3.49Å
476	F	91.5	Very high	93.9	Very high	111 Å²	111	95.5 Å²	95.5	49%	0.487	44%	0.441	S	S	.	.	H	α-helix	trans	-63.5	-49	-174.4	-62	-69.2	0	0	0	114.4	K423 N474 T478 R479 F480	K423-F476 HydrophobicContact CB-CZ 4.14Å; K423-F476 HydrophobicContact CD-CE2 4.31Å; K423-F476 HydrophobicContact CD-CZ 4.48Å; K423-F476 WeakPolarHBondContact O-CZ 3.29Å; N474-F476 PolarHBondContact O-N 2.98Å; F476-T478 VanDerWaalsContact C-N 3.34Å; F476-T478 PolarHBondContact O-N 2.85Å; F476-R479 PolarHBondContact O-N 2.97Å; F476-F480 PolarHBondContact O-N 3.01Å
477	P	95.4	Very high	94.1	Very high	70 Å²	70	93 Å²	93	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-60.1	-42.1	174.6	-25.2	35.6	0	0	0	112.9	N474 F480 W481	N474-P477 HydrophobicContact CB-CG 3.88Å; N474-P477 WeakPolarHBondContact O-CD 3.26Å; P477-F480 WeakPolarHBondContact O-CB 3.26Å; P477-F480 PolarHBondContact O-N 3.4Å; P477-W481 PolarHBondContact O-N 3.22Å; P477-W481 VanDerWaalsContact O-N 3.13Å
478	T	94.8	Very high	94.2	Very high	30 Å²	30	92.1 Å²	92.1	18%	0.184	44%	0.435	C	S	.	.	H	α-helix	trans	-65.9	-42.5	-180	-45.9	0	0	0	0	110.9	F464 W473 N474 F475 F476 F480 W481 L482	F464-T478 HydrophobicContact CE2-CG2 4.25Å; F464-T478 HydrophobicContact CZ-CG2 3.61Å; W473-T478 HydrophobicContact CE3-CG2 3.85Å; W473-T478 HydrophobicContact CZ3-CG2 4.39Å; N474-T478 WeakPolarHBondContact O-CB 3.49Å; N474-T478 PolarHBondContact O-N 2.85Å; N474-T478 PolarHBondContact O-OG1 3.13Å; F475-T478 PolarHBondContact O-N 3.44Å; F476-T478 VanDerWaalsContact C-N 3.34Å; F476-T478 PolarHBondContact O-N 2.85Å; T478-F480 PolarHBondContact O-N 2.9Å; T478-W481 PolarHBondContact O-N 3.02Å; T478-L482 PolarHBondContact O-N 3.18Å
479	R	91.9	Very high	94.4	Very high	61 Å²	61	96.6 Å²	96.6	23%	0.23	46%	0.458	C	S	.	.	H	α-helix	trans	-61.3	-42.2	174.7	-174.4	172.8	177.2	-92.4	-3.2	112.3	E461 F464 F475 F476 W481 L482 C483	E461-R479 IonicContact OE1-CZ 2.8Å; E461-R479 IonicContact OE1-NE 2.82Å; E461-R479 PolarHBondContact OE1-NE 3.31Å; E461-R479 IonicContact OE1-NH2 3.25Å; E461-R479 PolarHBondContact OE1-NH2 2.87Å; E461-R479 IonicContact OE2-NE 2.8Å; E461-R479 PolarHBondContact OE2-NE 2.89Å; F464-R479 HydrophobicContact CE1-CB 3.9Å; F464-R479 HydrophobicContact CE1-CG 4.44Å; F475-R479 VanDerWaalsContact O-CB 3.23Å; F475-R479 WeakPolarHBondContact O-CB 3.12Å; F475-R479 PolarHBondContact O-N 3.49Å; F476-R479 PolarHBondContact O-N 2.97Å; R479-W481 VanDerWaalsContact C-N 3.32Å; R479-W481 PolarHBondContact O-N 3.5Å; R479-L482 WeakPolarHBondContact O-CB 3.39Å; R479-L482 PolarHBondContact O-N 3.03Å; R479-C483 PolarHBondContact O-N 2.78Å; R479-C483 PolarHBondContact O-SG 3.17Å; R479-C483 VanDerWaalsContact O-SG 3.37Å
480	F	95	Very high	94.5	Very high	124 Å²	124	94.5 Å²	94.5	54%	0.544	46%	0.455	S	S	.	.	H	α-helix	trans	-56.1	-48.8	174.3	170.3	-93.5	0	0	0	111	F476 P477 T478 L482 C483 F484	F476-F480 PolarHBondContact O-N 3.01Å; P477-F480 WeakPolarHBondContact O-CB 3.26Å; P477-F480 PolarHBondContact O-N 3.4Å; T478-F480 PolarHBondContact O-N 2.9Å; F480-L482 VanDerWaalsContact C-N 3.33Å; F480-L482 PolarHBondContact O-N 3.34Å; F480-C483 PolarHBondContact O-N 3.39Å; F480-F484 HydrophobicContact CZ-CD2 4.45Å; F480-F484 VanDerWaalsContact O-CB 3.27Å; F480-F484 WeakPolarHBondContact O-CB 3.47Å; F480-F484 PolarHBondContact O-N 2.99Å
481	W	96	Very high	94.5	Very high	146 Å²	146	91.6 Å²	91.6	55%	0.553	45%	0.447	S	S	*	.	H	α-helix	trans	-64.2	-37.5	178.2	-76.2	114.6	0	0	0	112.8	P477 T478 R479 F484 W485	P477-W481 PolarHBondContact O-N 3.22Å; P477-W481 VanDerWaalsContact O-N 3.13Å; T478-W481 PolarHBondContact O-N 3.02Å; R479-W481 VanDerWaalsContact C-N 3.32Å; R479-W481 PolarHBondContact O-N 3.5Å; W481-F484 HydrophobicContact CE3-CB 4.48Å; W481-F484 AromaticContact CE3-CD1 3.94Å; W481-F484 HydrophobicContact CE3-CD1 3.94Å; W481-F484 HydrophobicContact CE3-CG 4.44Å; W481-F484 AromaticContact CZ3-CD1 3.85Å; W481-F484 HydrophobicContact CZ3-CD1 3.85Å; W481-F484 HydrophobicContact CZ3-CE1 4.08Å; W481-F484 PolarHBondContact O-N 3.16Å; W481-W485 VanDerWaalsContact O-CD1 3.25Å; W481-W485 PolarHBondContact O-N 2.95Å
482	L	94.9	Very high	94.5	Very high	62 Å²	62	89.8 Å²	89.8	33%	0.325	45%	0.446	S	S	.	.	H	α-helix	trans	-59.4	-52.1	174.2	-177.1	72.4	0	0	0	111.4	F460 F464 T478 R479 F480 F484 W485 A486	F460-L482 HydrophobicContact CE1-CD2 3.69Å; F460-L482 HydrophobicContact CZ-CD1 4.48Å; F460-L482 HydrophobicContact CZ-CD2 3.92Å; F464-L482 HydrophobicContact CD1-CD2 4.04Å; F464-L482 HydrophobicContact CD2-CD2 4.01Å; F464-L482 HydrophobicContact CE1-CD2 3.91Å; F464-L482 HydrophobicContact CE2-CD1 4.49Å; F464-L482 HydrophobicContact CE2-CD2 3.87Å; F464-L482 HydrophobicContact CG-CD2 4.08Å; F464-L482 HydrophobicContact CZ-CB 4.17Å; F464-L482 HydrophobicContact CZ-CD2 3.81Å; T478-L482 PolarHBondContact O-N 3.18Å; R479-L482 WeakPolarHBondContact O-CB 3.39Å; R479-L482 PolarHBondContact O-N 3.03Å; F480-L482 VanDerWaalsContact C-N 3.33Å; F480-L482 PolarHBondContact O-N 3.34Å; L482-F484 VanDerWaalsContact C-N 3.3Å; L482-F484 PolarHBondContact O-N 3.15Å; L482-W485 PolarHBondContact O-N 2.87Å; L482-A486 PolarHBondContact O-N 2.75Å
483	C	94.1	Very high	94.5	Very high	61 Å²	61	86.7 Å²	86.7	41%	0.412	43%	0.429	S	S	.	.	H	α-helix	trans	-63.9	-36	177.7	-63.8	0	0	0	0	112	R479 F480 A486 A487	R479-C483 PolarHBondContact O-N 2.78Å; R479-C483 PolarHBondContact O-SG 3.17Å; R479-C483 VanDerWaalsContact O-SG 3.37Å; F480-C483 PolarHBondContact O-N 3.39Å; C483-A486 PolarHBondContact O-N 2.64Å; C483-A487 PolarHBondContact O-N 2.85Å
484	F	96.5	Very high	94.4	Very high	94 Å²	94	83.7 Å²	83.7	41%	0.412	43%	0.425	S	S	.	.	H	α-helix	trans	-62.8	-46.4	177	-174	-101.9	0	0	0	111.7	F480 W481 L482 A487 I488	F480-F484 HydrophobicContact CZ-CD2 4.45Å; F480-F484 VanDerWaalsContact O-CB 3.27Å; F480-F484 WeakPolarHBondContact O-CB 3.47Å; F480-F484 PolarHBondContact O-N 2.99Å; W481-F484 HydrophobicContact CE3-CB 4.48Å; W481-F484 AromaticContact CE3-CD1 3.94Å; W481-F484 HydrophobicContact CE3-CD1 3.94Å; W481-F484 HydrophobicContact CE3-CG 4.44Å; W481-F484 AromaticContact CZ3-CD1 3.85Å; W481-F484 HydrophobicContact CZ3-CD1 3.85Å; W481-F484 HydrophobicContact CZ3-CE1 4.08Å; W481-F484 PolarHBondContact O-N 3.16Å; L482-F484 VanDerWaalsContact C-N 3.3Å; L482-F484 PolarHBondContact O-N 3.15Å; F484-A487 PolarHBondContact O-N 2.83Å; F484-I488 HydrophobicContact CD1-CD1 3.85Å; F484-I488 HydrophobicContact CE1-CD1 3.51Å; F484-I488 HydrophobicContact CE1-CG1 4.44Å; F484-I488 HydrophobicContact CZ-CD1 4.17Å; F484-I488 WeakPolarHBondContact O-CG1 3.19Å; F484-I488 PolarHBondContact O-N 3.14Å; F484-I488 VanDerWaalsContact O-N 3.08Å
485	W	97.5	Very high	94.4	Very high	153 Å²	153	78.1 Å²	78.1	58%	0.58	40%	0.396	S	S	*	.	H	α-helix	trans	-65.8	-37.9	174.6	-82.5	109.3	0	0	0	112.7	W481 L482 A487 I488 I489	W481-W485 VanDerWaalsContact O-CD1 3.25Å; W481-W485 PolarHBondContact O-N 2.95Å; L482-W485 PolarHBondContact O-N 2.87Å; W485-A487 VanDerWaalsContact C-N 3.3Å; W485-A487 PolarHBondContact O-N 3.01Å; W485-I488 HydrophobicContact CD2-CD1 4.45Å; W485-I488 HydrophobicContact CE3-CB 4.42Å; W485-I488 HydrophobicContact CE3-CD1 4.04Å; W485-I488 HydrophobicContact CE3-CG2 4.38Å; W485-I488 HydrophobicContact CZ3-CD1 4.24Å; W485-I488 HydrophobicContact CZ3-CG2 4.41Å; W485-I488 PolarHBondContact O-N 2.82Å; W485-I489 WeakPolarHBondContact O-CG1 3.25Å; W485-I489 PolarHBondContact O-N 3.07Å
486	A	95	Very high	94.4	Very high	44 Å²	44	80.3 Å²	80.3	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-59	-42.6	173.7	0	0	0	0	0	111.7	L482 C483 I489 Q490	L482-A486 PolarHBondContact O-N 2.75Å; C483-A486 PolarHBondContact O-N 2.64Å; A486-I489 PolarHBondContact O-N 3.1Å; A486-Q490 WeakPolarHBondContact O-CG 3.49Å; A486-Q490 PolarHBondContact O-N 2.79Å
487	A	95.4	Very high	94.2	Very high	48 Å²	48	75.2 Å²	75.2	40%	0.397	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-41.4	175.8	0	0	0	0	0	112.2	C483 F484 W485 I489 Q490 V491	C483-A487 PolarHBondContact O-N 2.85Å; F484-A487 PolarHBondContact O-N 2.83Å; W485-A487 VanDerWaalsContact C-N 3.3Å; W485-A487 PolarHBondContact O-N 3.01Å; A487-I489 PolarHBondContact O-N 2.92Å; A487-Q490 PolarHBondContact O-N 3.36Å; A487-V491 WeakPolarHBondContact O-CG2 3.34Å; A487-V491 PolarHBondContact O-N 3.22Å
488	I	97.6	Very high	93.9	Very high	56 Å²	56	72.8 Å²	72.8	29%	0.287	37%	0.374	S	S	.	.	H	α-helix	trans	-59.6	-46.4	174.6	-70	170.9	0	0	0	110.8	F484 W485 Q490 V491 I492	F484-I488 HydrophobicContact CD1-CD1 3.85Å; F484-I488 HydrophobicContact CE1-CD1 3.51Å; F484-I488 HydrophobicContact CE1-CG1 4.44Å; F484-I488 HydrophobicContact CZ-CD1 4.17Å; F484-I488 WeakPolarHBondContact O-CG1 3.19Å; F484-I488 PolarHBondContact O-N 3.14Å; F484-I488 VanDerWaalsContact O-N 3.08Å; W485-I488 HydrophobicContact CD2-CD1 4.45Å; W485-I488 HydrophobicContact CE3-CB 4.42Å; W485-I488 HydrophobicContact CE3-CD1 4.04Å; W485-I488 HydrophobicContact CE3-CG2 4.38Å; W485-I488 HydrophobicContact CZ3-CD1 4.24Å; W485-I488 HydrophobicContact CZ3-CG2 4.41Å; W485-I488 PolarHBondContact O-N 2.82Å; I488-Q490 VanDerWaalsContact C-N 3.31Å; I488-Q490 PolarHBondContact O-N 3.3Å; I488-V491 PolarHBondContact O-N 3.36Å; I488-I492 HydrophobicContact CG2-CD1 3.93Å; I488-I492 WeakPolarHBondContact O-CG1 3.26Å; I488-I492 PolarHBondContact O-N 3.15Å
489	I	96.8	Very high	93.4	Very high	95 Å²	95	73.9 Å²	73.9	49%	0.487	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-42	179	-67.2	164.6	0	0	0	110.5	W485 A486 A487 I492 L493	W485-I489 WeakPolarHBondContact O-CG1 3.25Å; W485-I489 PolarHBondContact O-N 3.07Å; A486-I489 PolarHBondContact O-N 3.1Å; A487-I489 PolarHBondContact O-N 2.92Å; I489-I492 WeakPolarHBondContact O-CB 3.29Å; I489-I492 PolarHBondContact O-N 2.87Å; I489-L493 HydrophobicContact CG2-CD1 4.4Å; I489-L493 WeakPolarHBondContact O-CG 3.38Å; I489-L493 PolarHBondContact O-N 3.09Å
490	Q	93.6	Very high	93	Very high	128 Å²	128	73.3 Å²	73.3	60%	0.598	38%	0.382	S	S	*	.	H	α-helix	trans	-61.9	-44.4	175.7	-72.6	177.3	1	0	0	112.3	A486 A487 I488 I492 L493 V494	A486-Q490 WeakPolarHBondContact O-CG 3.49Å; A486-Q490 PolarHBondContact O-N 2.79Å; A487-Q490 PolarHBondContact O-N 3.36Å; I488-Q490 VanDerWaalsContact C-N 3.31Å; I488-Q490 PolarHBondContact O-N 3.3Å; Q490-I492 VanDerWaalsContact C-N 3.27Å; Q490-I492 PolarHBondContact O-N 3.33Å; Q490-L493 PolarHBondContact O-N 2.9Å; Q490-V494 WeakPolarHBondContact O-CG2 3.34Å; Q490-V494 PolarHBondContact O-N 2.81Å
491	V	94	Very high	92.5	Very high	86 Å²	86	71.7 Å²	71.7	52%	0.521	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-39.3	175.8	171.7	0	0	0	0	111.1	F363 A487 I488 V494 A495	F363-V491 HydrophobicContact CZ-CG1 4.47Å; A487-V491 WeakPolarHBondContact O-CG2 3.34Å; A487-V491 PolarHBondContact O-N 3.22Å; I488-V491 PolarHBondContact O-N 3.36Å; V491-V494 PolarHBondContact O-N 3.37Å; V491-A495 WeakPolarHBondContact O-CB 3.46Å; V491-A495 PolarHBondContact O-N 3.33Å
492	I	95.2	Very high	91.8	Very high	95 Å²	95	67.6 Å²	67.6	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-46.4	175.3	-67.9	167	0	0	0	110.7	I488 I489 Q490 V494 A495 T496	I488-I492 HydrophobicContact CG2-CD1 3.93Å; I488-I492 WeakPolarHBondContact O-CG1 3.26Å; I488-I492 PolarHBondContact O-N 3.15Å; I489-I492 WeakPolarHBondContact O-CB 3.29Å; I489-I492 PolarHBondContact O-N 2.87Å; Q490-I492 VanDerWaalsContact C-N 3.27Å; Q490-I492 PolarHBondContact O-N 3.33Å; I492-V494 VanDerWaalsContact C-N 3.34Å; I492-V494 PolarHBondContact O-N 3.11Å; I492-A495 WeakPolarHBondContact O-CB 3.4Å; I492-A495 PolarHBondContact O-N 2.86Å; I492-A495 VanDerWaalsContact O-N 3.16Å; I492-T496 HydrophobicContact CG2-CG2 4.32Å; I492-T496 WeakPolarHBondContact O-CG2 3.15Å; I492-T496 PolarHBondContact O-N 3.44Å; I492-T496 PolarHBondContact O-OG1 2.93Å
493	L	93	Very high	90.9	Very high	89 Å²	89	67.6 Å²	67.6	47%	0.466	37%	0.372	S	S	.	.	H	α-helix	trans	-59	-45.6	178.6	-70.5	174.2	0	0	0	111.8	I489 Q490 T496 D497 A498	I489-L493 HydrophobicContact CG2-CD1 4.4Å; I489-L493 WeakPolarHBondContact O-CG 3.38Å; I489-L493 PolarHBondContact O-N 3.09Å; Q490-L493 PolarHBondContact O-N 2.9Å; L493-T496 WeakPolarHBondContact CA-OG1 3.28Å; L493-T496 PolarHBondContact O-N 2.8Å; L493-T496 PolarHBondContact O-OG1 2.96Å; L493-D497 PolarHBondContact O-N 3.07Å; L493-A498 HydrophobicContact CB-CB 4.12Å; L493-A498 HydrophobicContact CD2-CB 3.85Å; L493-A498 WeakPolarHBondContact O-CB 3.45Å; L493-A498 PolarHBondContact O-N 3.05Å
494	V	91.7	Very high	90.2	Very high	65 Å²	65	72.9 Å²	72.9	39%	0.394	39%	0.385	S	S	.	.	H	α-helix	trans	-61.9	-44.1	174.8	174.2	0	0	0	0	111.1	F363 L366 Q490 V491 I492 T496 D497	F363-V494 HydrophobicContact CD1-CG1 4.16Å; F363-V494 HydrophobicContact CE1-CG1 4.39Å; L366-V494 HydrophobicContact CB-CG1 4.09Å; L366-V494 HydrophobicContact CD2-CG1 4.01Å; L366-V494 HydrophobicContact CG-CG1 4.48Å; Q490-V494 WeakPolarHBondContact O-CG2 3.34Å; Q490-V494 PolarHBondContact O-N 2.81Å; V491-V494 PolarHBondContact O-N 3.37Å; I492-V494 VanDerWaalsContact C-N 3.34Å; I492-V494 PolarHBondContact O-N 3.11Å; V494-T496 VanDerWaalsContact C-N 3.3Å; V494-T496 PolarHBondContact O-N 3.45Å; V494-D497 PolarHBondContact O-N 3.47Å; V494-D497 VanDerWaalsContact O-N 3.16Å
495	A	92	Very high	89.4	Confident	8 Å²	8	72.3 Å²	72.3	7%	0.066	39%	0.385	C	S	.	.	H	α-helix	trans	-62.7	-37.1	179.1	0	0	0	0	0	112.3	F362 F363 V491 I492 D497	F362-A495 WeakPolarHBondContact CA-O 3.24Å; F362-A495 HydrophobicContact CD1-CB 3.99Å; F362-A495 HydrophobicContact CE1-CB 4.21Å; F363-A495 HydrophobicContact CD1-CB 4.26Å; F363-A495 HydrophobicContact CD2-CB 4.23Å; F363-A495 HydrophobicContact CE1-CB 3.77Å; F363-A495 HydrophobicContact CE2-CB 3.74Å; F363-A495 HydrophobicContact CG-CB 4.47Å; F363-A495 HydrophobicContact CZ-CB 3.5Å; F363-A495 VanDerWaalsContact CZ-CB 3.5Å; F363-A495 PolarHBondContact N-O 3.05Å; V491-A495 WeakPolarHBondContact O-CB 3.46Å; V491-A495 PolarHBondContact O-N 3.33Å; I492-A495 WeakPolarHBondContact O-CB 3.4Å; I492-A495 PolarHBondContact O-N 2.86Å; I492-A495 VanDerWaalsContact O-N 3.16Å; A495-D497 VanDerWaalsContact C-N 3.27Å; A495-D497 PolarHBondContact O-N 2.8Å
496	T	90.7	Very high	88.8	Confident	61 Å²	61	68.6 Å²	68.6	37%	0.374	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.2	177.8	58.2	0	0	0	0	114.4	I492 L493 V494 A498	I492-T496 HydrophobicContact CG2-CG2 4.32Å; I492-T496 WeakPolarHBondContact O-CG2 3.15Å; I492-T496 PolarHBondContact O-N 3.44Å; I492-T496 PolarHBondContact O-OG1 2.93Å; L493-T496 WeakPolarHBondContact CA-OG1 3.28Å; L493-T496 PolarHBondContact O-N 2.8Å; L493-T496 PolarHBondContact O-OG1 2.96Å; V494-T496 VanDerWaalsContact C-N 3.3Å; V494-T496 PolarHBondContact O-N 3.45Å; T496-A498 PolarHBondContact O-N 2.81Å
497	D	88.1	Confident	88.1	Confident	4 Å²	4	75.2 Å²	75.2	2%	0.021	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	28.4	179.6	-159.4	22	0	0	0	113.8	Y358 T359 G365 L493 V494 A495 S499 F500	Y358-D497 HydrophobicContact CD2-CB 4.08Å; Y358-D497 HydrophobicContact CE2-CB 4.01Å; T359-D497 WeakPolarHBondContact CB-OD2 3.43Å; T359-D497 WeakPolarHBondContact CG2-OD2 3.4Å; T359-D497 PolarHBondContact N-OD2 3Å; T359-D497 PolarHBondContact OG1-OD2 2.96Å; G365-D497 VanDerWaalsContact CA-OD1 3.24Å; G365-D497 WeakPolarHBondContact CA-OD1 3.34Å; G365-D497 PolarHBondContact N-OD1 3.42Å; L493-D497 PolarHBondContact O-N 3.07Å; V494-D497 PolarHBondContact O-N 3.47Å; V494-D497 VanDerWaalsContact O-N 3.16Å; A495-D497 VanDerWaalsContact C-N 3.27Å; A495-D497 PolarHBondContact O-N 2.8Å; D497-S499 PolarHBondContact O-N 2.75Å; D497-F500 VanDerWaalsContact O-CD1 3.25Å; D497-F500 WeakPolarHBondContact O-CD1 3.38Å; D497-F500 PolarHBondContact O-N 2.91Å; D497-F500 VanDerWaalsContact O-N 3.14Å
498	A	87.7	Confident	87.7	Confident	19 Å²	19	79.8 Å²	79.8	16%	0.157	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-63.2	-12.2	-172.6	0	0	0	0	0	114.2	L493 T496 F500 L501	L493-A498 HydrophobicContact CB-CB 4.12Å; L493-A498 HydrophobicContact CD2-CB 3.85Å; L493-A498 WeakPolarHBondContact O-CB 3.45Å; L493-A498 PolarHBondContact O-N 3.05Å; T496-A498 PolarHBondContact O-N 2.81Å; A498-F500 PolarHBondContact O-N 3.48Å; A498-L501 WeakPolarHBondContact O-CB 3.41Å; A498-L501 WeakPolarHBondContact O-CG 3.47Å; A498-L501 PolarHBondContact O-N 3.32Å; A498-L501 VanDerWaalsContact O-N 3.07Å
499	S	85	Confident	87.3	Confident	52 Å²	52	80.6 Å²	80.6	36%	0.364	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-56.9	-27.4	171.7	47.1	0	0	0	0	112.5	D497 L501 V502	D497-S499 PolarHBondContact O-N 2.75Å; S499-L501 PolarHBondContact O-N 3.48Å; S499-V502 VanDerWaalsContact O-CB 3.31Å; S499-V502 WeakPolarHBondContact O-CB 3.44Å; S499-V502 VanDerWaalsContact O-CG2 3.28Å; S499-V502 WeakPolarHBondContact O-CG2 3.32Å; S499-V502 PolarHBondContact O-N 3Å
500	F	82.6	Confident	86.7	Confident	49 Å²	49	80.9 Å²	80.9	22%	0.215	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-57.2	-24.2	174.8	95.1	-88.8	0	0	0	113	L356 Y358 D497 A498 V502 V503 Y504	L356-F500 WeakPolarHBondContact O-CA 3.2Å; L356-F500 WeakPolarHBondContact O-CB 3.37Å; Y358-F500 HydrophobicContact CD2-CB 4.43Å; Y358-F500 AromaticContact CD2-CD1 3.49Å; Y358-F500 HydrophobicContact CD2-CD1 3.49Å; Y358-F500 VanDerWaalsContact CD2-CD1 3.49Å; Y358-F500 AromaticContact CD2-CE1 3.78Å; Y358-F500 HydrophobicContact CD2-CE1 3.78Å; Y358-F500 AromaticContact CD2-CG 3.93Å; Y358-F500 HydrophobicContact CD2-CG 3.93Å; Y358-F500 HydrophobicContact CD2-CZ 4.45Å; Y358-F500 HydrophobicContact CE2-CD1 4.2Å; Y358-F500 HydrophobicContact CE2-CE1 4.2Å; Y358-F500 HydrophobicContact CG-CD1 4.22Å; Y358-F500 HydrophobicContact CG-CE1 4.44Å; Y358-F500 HydrophobicContact CG-CG 4.28Å; D497-F500 VanDerWaalsContact O-CD1 3.25Å; D497-F500 WeakPolarHBondContact O-CD1 3.38Å; D497-F500 PolarHBondContact O-N 2.91Å; D497-F500 VanDerWaalsContact O-N 3.14Å; A498-F500 PolarHBondContact O-N 3.48Å; F500-V502 PolarHBondContact O-N 3.19Å; F500-V503 WeakPolarHBondContact O-CB 3.15Å; F500-V503 VanDerWaalsContact O-CG2 3.23Å; F500-V503 WeakPolarHBondContact O-CG2 3.25Å; F500-V503 PolarHBondContact O-N 2.81Å; F500-V503 VanDerWaalsContact O-N 3.11Å; F500-Y504 HydrophobicContact CD2-CE2 4.45Å; F500-Y504 AromaticContact CE2-CE2 3.88Å; F500-Y504 HydrophobicContact CE2-CE2 3.88Å
501	L	84.8	Confident	86.5	Confident	90 Å²	90	79.1 Å²	79.1	47%	0.471	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-64.9	-20.7	178.8	-65.6	174.2	0	0	0	112.6	A498 S499 V503 Y504	A498-L501 WeakPolarHBondContact O-CB 3.41Å; A498-L501 WeakPolarHBondContact O-CG 3.47Å; A498-L501 PolarHBondContact O-N 3.32Å; A498-L501 VanDerWaalsContact O-N 3.07Å; S499-L501 PolarHBondContact O-N 3.48Å; L501-V503 PolarHBondContact O-N 3.05Å; L501-Y504 HydrophobicContact CD2-CD2 4.02Å; L501-Y504 HydrophobicContact CD2-CE2 3.94Å; L501-Y504 WeakPolarHBondContact O-CB 3.03Å; L501-Y504 PolarHBondContact O-N 3.03Å
502	V	82	Confident	86.5	Confident	60 Å²	60	79.7 Å²	79.7	36%	0.364	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-59.4	-25.1	174.6	177.5	0	0	0	0	111.2	L356 S499 F500 Y504 I505	L356-V502 HydrophobicContact CD1-CG1 4.38Å; L356-V502 HydrophobicContact CD2-CB 4.22Å; S499-V502 VanDerWaalsContact O-CB 3.31Å; S499-V502 WeakPolarHBondContact O-CB 3.44Å; S499-V502 VanDerWaalsContact O-CG2 3.28Å; S499-V502 WeakPolarHBondContact O-CG2 3.32Å; S499-V502 PolarHBondContact O-N 3Å; F500-V502 PolarHBondContact O-N 3.19Å; V502-Y504 PolarHBondContact O-N 3.49Å; V502-Y504 VanDerWaalsContact O-N 3.17Å; V502-I505 HydrophobicContact CG1-CD1 4.49Å; V502-I505 WeakPolarHBondContact O-CA 3.5Å; V502-I505 VanDerWaalsContact O-CB 3.29Å; V502-I505 WeakPolarHBondContact O-CB 3.3Å; V502-I505 PolarHBondContact O-N 2.68Å
503	V	75.7	Confident	86.2	Confident	62 Å²	62	81.7 Å²	81.7	38%	0.376	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-59.7	-27.2	174	179.9	0	0	0	0	112.9	L353 L356 F500 L501 I505	L353-V503 HydrophobicContact CD1-CG1 4.46Å; L353-V503 HydrophobicContact CD2-CB 4.01Å; L353-V503 HydrophobicContact CD2-CG1 3.61Å; L353-V503 HydrophobicContact CD2-CG2 3.38Å; L356-V503 HydrophobicContact CB-CG2 3.41Å; L356-V503 VanDerWaalsContact CB-CG2 3.41Å; L356-V503 HydrophobicContact CD1-CG2 4.42Å; L356-V503 HydrophobicContact CG-CG2 4.48Å; L356-V503 VanDerWaalsContact O-CG2 3.27Å; L356-V503 WeakPolarHBondContact O-CG2 3.23Å; F500-V503 WeakPolarHBondContact O-CB 3.15Å; F500-V503 VanDerWaalsContact O-CG2 3.23Å; F500-V503 WeakPolarHBondContact O-CG2 3.25Å; F500-V503 PolarHBondContact O-N 2.81Å; F500-V503 VanDerWaalsContact O-N 3.11Å; L501-V503 PolarHBondContact O-N 3.05Å; V503-I505 VanDerWaalsContact C-N 3.3Å
504	Y	79.1	Confident	85.9	Confident	173 Å²	173	80.4 Å²	80.4	68%	0.678	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-80.6	-14	176.1	-61.5	-68.4	0	0	0	112.8	F500 L501 V502 T506	F500-Y504 HydrophobicContact CD2-CE2 4.45Å; F500-Y504 AromaticContact CE2-CE2 3.88Å; F500-Y504 HydrophobicContact CE2-CE2 3.88Å; L501-Y504 HydrophobicContact CD2-CD2 4.02Å; L501-Y504 HydrophobicContact CD2-CE2 3.94Å; L501-Y504 WeakPolarHBondContact O-CB 3.03Å; L501-Y504 PolarHBondContact O-N 3.03Å; V502-Y504 PolarHBondContact O-N 3.49Å; V502-Y504 VanDerWaalsContact O-N 3.17Å; Y504-T506 PolarHBondContact O-N 3.38Å
505	I	80.2	Confident	86	Confident	81 Å²	81	81.3 Å²	81.3	42%	0.415	42%	0.417	S	S	.	.	S	Bend	trans	-78.5	121.3	174	-55.5	179.3	0	0	0	107.3	V502 V503 T509 E510	V502-I505 HydrophobicContact CG1-CD1 4.49Å; V502-I505 WeakPolarHBondContact O-CA 3.5Å; V502-I505 VanDerWaalsContact O-CB 3.29Å; V502-I505 WeakPolarHBondContact O-CB 3.3Å; V502-I505 PolarHBondContact O-N 2.68Å; V503-I505 VanDerWaalsContact C-N 3.3Å; I505-T509 HydrophobicContact CG2-CG2 4.13Å; I505-E510 HydrophobicContact CG2-CG 3.85Å
506	T	84.4	Confident	85.9	Confident	75 Å²	75	85.2 Å²	85.2	46%	0.46	44%	0.437	S	S	.	.			trans	-82.2	151.4	176.9	69.5	0	0	0	0	110.2	Y504 F508 T509 E510	Y504-T506 PolarHBondContact O-N 3.38Å; T506-F508 PolarHBondContact O-N 2.8Å; T506-F508 VanDerWaalsContact O-N 3.09Å; T506-T509 WeakPolarHBondContact O-CA 3.1Å; T506-T509 WeakPolarHBondContact O-CB 3.32Å; T506-T509 PolarHBondContact O-N 2.91Å; T506-T509 PolarHBondContact OG1-N 3.39Å; T506-T509 PolarHBondContact OG1-OG1 3.21Å; T506-T509 VanDerWaalsContact OG1-OG1 3.07Å; T506-E510 PolarHBondContact O-N 2.95Å
507	R	80.5	Confident	85.6	Confident	184 Å²	184	84.9 Å²	84.9	69%	0.694	43%	0.434	S	S	*	.	H	α-helix	trans	-50.3	-34.6	170.6	-178.5	175.4	169.5	167.9	3	113	T509 E510 E511	R507-T509 PolarHBondContact O-N 2.57Å; R507-E510 PolarHBondContact O-N 3.28Å; R507-E511 HydrophobicContact CG-CG 4.33Å; R507-E511 IonicContact CZ-OE1 3.47Å; R507-E511 IonicContact NE-OE1 2.73Å; R507-E511 PolarHBondContact NE-OE1 3.39Å; R507-E511 IonicContact NH2-OE1 3.82Å; R507-E511 PolarHBondContact NH2-OE1 3.09Å; R507-E511 WeakPolarHBondContact O-CB 3.42Å; R507-E511 WeakPolarHBondContact O-CG 3.36Å; R507-E511 PolarHBondContact O-N 3.02Å
508	F	87.1	Confident	85.6	Confident	144 Å²	144	86.4 Å²	86.4	63%	0.632	45%	0.451	S	S	*	.	H	α-helix	trans	-61.3	-42	174.8	176	-102.7	0	0	0	112.4	T506 E511 L512	T506-F508 PolarHBondContact O-N 2.8Å; T506-F508 VanDerWaalsContact O-N 3.09Å; F508-E511 PolarHBondContact O-N 3.21Å; F508-L512 HydrophobicContact CE1-CD1 4.03Å; F508-L512 HydrophobicContact CZ-CD1 4.01Å; F508-L512 VanDerWaalsContact O-CB 3.29Å; F508-L512 WeakPolarHBondContact O-CB 3.18Å; F508-L512 PolarHBondContact O-N 3.42Å
509	T	88.9	Confident	85.7	Confident	72 Å²	72	90.1 Å²	90.1	44%	0.442	47%	0.467	S	S	.	.	H	α-helix	trans	-64.8	-41.9	176.8	-49.9	0	0	0	0	111.3	I505 T506 R507 L512 F513	I505-T509 HydrophobicContact CG2-CG2 4.13Å; T506-T509 WeakPolarHBondContact O-CA 3.1Å; T506-T509 WeakPolarHBondContact O-CB 3.32Å; T506-T509 PolarHBondContact O-N 2.91Å; T506-T509 PolarHBondContact OG1-N 3.39Å; T506-T509 PolarHBondContact OG1-OG1 3.21Å; T506-T509 VanDerWaalsContact OG1-OG1 3.07Å; R507-T509 PolarHBondContact O-N 2.57Å; T509-L512 PolarHBondContact O-N 3.4Å; T509-F513 WeakPolarHBondContact O-CB 3.43Å; T509-F513 PolarHBondContact O-N 3.04Å
510	E	83.7	Confident	85.7	Confident	101 Å²	101	90.7 Å²	90.7	47%	0.472	47%	0.469	S	S	.	.	H	α-helix	trans	-61.9	-48.4	176.2	-62.6	177.4	167.5	0	0	111.4	I505 T506 R507 L512 F513 A514	I505-E510 HydrophobicContact CG2-CG 3.85Å; T506-E510 PolarHBondContact O-N 2.95Å; R507-E510 PolarHBondContact O-N 3.28Å; E510-L512 VanDerWaalsContact C-N 3.34Å; E510-L512 PolarHBondContact O-N 3.32Å; E510-F513 PolarHBondContact O-N 3.27Å; E510-A514 WeakPolarHBondContact O-CB 3.35Å; E510-A514 PolarHBondContact O-N 3.36Å
511	E	90.3	Very high	85.4	Confident	92 Å²	92	92.6 Å²	92.6	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-63.4	-39.3	178.6	-73.6	177.4	179.5	0	0	111.6	R507 F508 T515	R507-E511 HydrophobicContact CG-CG 4.33Å; R507-E511 IonicContact CZ-OE1 3.47Å; R507-E511 IonicContact NE-OE1 2.73Å; R507-E511 PolarHBondContact NE-OE1 3.39Å; R507-E511 IonicContact NH2-OE1 3.82Å; R507-E511 PolarHBondContact NH2-OE1 3.09Å; R507-E511 WeakPolarHBondContact O-CB 3.42Å; R507-E511 WeakPolarHBondContact O-CG 3.36Å; R507-E511 PolarHBondContact O-N 3.02Å; F508-E511 PolarHBondContact O-N 3.21Å; E511-T515 VanDerWaalsContact O-CB 3.28Å; E511-T515 WeakPolarHBondContact O-CB 3.14Å; E511-T515 PolarHBondContact O-N 2.77Å; E511-T515 PolarHBondContact O-OG1 2.98Å
512	L	93.2	Very high	85.5	Confident	98 Å²	98	92.2 Å²	92.2	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-65.1	-43.9	176.6	-170.2	151.6	0	0	0	111.4	F508 T509 E510 T515 L516	F508-L512 HydrophobicContact CE1-CD1 4.03Å; F508-L512 HydrophobicContact CZ-CD1 4.01Å; F508-L512 VanDerWaalsContact O-CB 3.29Å; F508-L512 WeakPolarHBondContact O-CB 3.18Å; F508-L512 PolarHBondContact O-N 3.42Å; T509-L512 PolarHBondContact O-N 3.4Å; E510-L512 VanDerWaalsContact C-N 3.34Å; E510-L512 PolarHBondContact O-N 3.32Å; L512-T515 PolarHBondContact O-N 3.43Å; L512-L516 WeakPolarHBondContact O-CB 3.48Å; L512-L516 PolarHBondContact O-N 3.37Å
513	F	88.5	Confident	85.6	Confident	137 Å²	137	92.8 Å²	92.8	60%	0.601	48%	0.482	S	S	*	.	H	α-helix	trans	-67.1	-44.3	177.9	-173.6	-99.6	0	0	0	111.9	T509 E510 T515 L516 V517	T509-F513 WeakPolarHBondContact O-CB 3.43Å; T509-F513 PolarHBondContact O-N 3.04Å; E510-F513 PolarHBondContact O-N 3.27Å; F513-T515 VanDerWaalsContact C-N 3.28Å; F513-T515 PolarHBondContact O-N 2.9Å; F513-L516 PolarHBondContact O-N 2.89Å; F513-V517 HydrophobicContact CD1-CG2 4.16Å; F513-V517 HydrophobicContact CE1-CG2 3.74Å; F513-V517 HydrophobicContact CE2-CG2 4.43Å; F513-V517 HydrophobicContact CZ-CG2 3.89Å; F513-V517 WeakPolarHBondContact O-CG2 3.23Å; F513-V517 PolarHBondContact O-N 3.23Å
514	A	87.8	Confident	85.6	Confident	61 Å²	61	93.7 Å²	93.7	50%	0.504	48%	0.482	S	S	.	.	H	α-helix	trans	-59.9	-40.6	175	0	0	0	0	0	111.6	E510 G518	E510-A514 WeakPolarHBondContact O-CB 3.35Å; E510-A514 PolarHBondContact O-N 3.36Å; A514-G518 PolarHBondContact O-N 3.18Å
515	T	93	Very high	85.5	Confident	84 Å²	84	89 Å²	89	52%	0.515	47%	0.474	S	S	.	.	H	α-helix	trans	-65.1	-43.3	175.8	-57.6	0	0	0	0	111.6	E511 L512 F513 G518 I519	E511-T515 VanDerWaalsContact O-CB 3.28Å; E511-T515 WeakPolarHBondContact O-CB 3.14Å; E511-T515 PolarHBondContact O-N 2.77Å; E511-T515 PolarHBondContact O-OG1 2.98Å; L512-T515 PolarHBondContact O-N 3.43Å; F513-T515 VanDerWaalsContact C-N 3.28Å; F513-T515 PolarHBondContact O-N 2.9Å; T515-G518 PolarHBondContact O-N 3.01Å; T515-I519 HydrophobicContact CG2-CD1 3.99Å; T515-I519 VanDerWaalsContact O-CG1 3.31Å; T515-I519 WeakPolarHBondContact O-CG1 3.46Å; T515-I519 PolarHBondContact O-N 3.03Å
516	L	91.1	Very high	85.7	Confident	91 Å²	91	91 Å²	91	48%	0.476	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-50.2	176.7	176.4	64.5	0	0	0	111.5	L512 F513 G518 I519 V520	L512-L516 WeakPolarHBondContact O-CB 3.48Å; L512-L516 PolarHBondContact O-N 3.37Å; F513-L516 PolarHBondContact O-N 2.89Å; L516-G518 VanDerWaalsContact C-N 3.29Å; L516-G518 PolarHBondContact O-N 3.11Å; L516-I519 PolarHBondContact O-N 3.32Å; L516-V520 HydrophobicContact CD1-CG2 4.44Å; L516-V520 WeakPolarHBondContact O-CG2 3.5Å; L516-V520 PolarHBondContact O-N 3.36Å
517	V	84.8	Confident	85.4	Confident	53 Å²	53	93.3 Å²	93.3	32%	0.321	49%	0.486	S	S	.	.	H	α-helix	trans	-60.1	-41.6	177.3	172.5	0	0	0	0	110.6	F513 I519 V520 F521	F513-V517 HydrophobicContact CD1-CG2 4.16Å; F513-V517 HydrophobicContact CE1-CG2 3.74Å; F513-V517 HydrophobicContact CE2-CG2 4.43Å; F513-V517 HydrophobicContact CZ-CG2 3.89Å; F513-V517 WeakPolarHBondContact O-CG2 3.23Å; F513-V517 PolarHBondContact O-N 3.23Å; V517-I519 PolarHBondContact O-N 3.35Å; V517-V520 PolarHBondContact O-N 3.08Å; V517-F521 HydrophobicContact CG1-CD2 3.73Å; V517-F521 HydrophobicContact CG1-CE2 3.46Å; V517-F521 VanDerWaalsContact CG1-CE2 3.46Å; V517-F521 HydrophobicContact CG1-CZ 4.47Å; V517-F521 WeakPolarHBondContact O-CD2 3.48Å; V517-F521 PolarHBondContact O-N 2.77Å
518	G	86.5	Confident	85	Confident	36 Å²	36	87.6 Å²	87.6	37%	0.371	48%	0.477	S	S	.	.	H	α-helix	trans	-59.3	-44.2	174.5	0	0	0	0	0	113.1	A514 T515 L516 F521 V522	A514-G518 PolarHBondContact O-N 3.18Å; T515-G518 PolarHBondContact O-N 3.01Å; L516-G518 VanDerWaalsContact C-N 3.29Å; L516-G518 PolarHBondContact O-N 3.11Å; G518-F521 PolarHBondContact O-N 3.35Å; G518-V522 WeakPolarHBondContact O-CG2 3.4Å; G518-V522 PolarHBondContact O-N 3.39Å; G518-V522 VanDerWaalsContact O-N 3.15Å
519	I	90.7	Very high	84.6	Confident	97 Å²	97	85.1 Å²	85.1	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-64	-44.6	176.4	-70	167	0	0	0	111	T515 L516 V517 F521 V522 V523	T515-I519 HydrophobicContact CG2-CD1 3.99Å; T515-I519 VanDerWaalsContact O-CG1 3.31Å; T515-I519 WeakPolarHBondContact O-CG1 3.46Å; T515-I519 PolarHBondContact O-N 3.03Å; L516-I519 PolarHBondContact O-N 3.32Å; V517-I519 PolarHBondContact O-N 3.35Å; I519-F521 VanDerWaalsContact C-N 3.35Å; I519-F521 PolarHBondContact O-N 3.33Å; I519-V522 PolarHBondContact O-N 3.22Å; I519-V523 HydrophobicContact CG2-CG2 4.33Å; I519-V523 WeakPolarHBondContact O-CG2 3.28Å; I519-V523 PolarHBondContact O-N 2.79Å
520	V	83.7	Confident	84.2	Confident	65 Å²	65	87.9 Å²	87.9	39%	0.394	48%	0.48	S	S	.	.	H	α-helix	trans	-58.6	-47	178.6	170.8	0	0	0	0	110.6	L516 V517 V522 V523 E524	L516-V520 HydrophobicContact CD1-CG2 4.44Å; L516-V520 WeakPolarHBondContact O-CG2 3.5Å; L516-V520 PolarHBondContact O-N 3.36Å; V517-V520 PolarHBondContact O-N 3.08Å; V520-V522 VanDerWaalsContact C-N 3.31Å; V520-V522 PolarHBondContact O-N 3.26Å; V520-V523 PolarHBondContact O-N 2.91Å; V520-E524 HydrophobicContact CG1-CG 4.28Å; V520-E524 WeakPolarHBondContact O-CB 3.42Å; V520-E524 WeakPolarHBondContact O-CG 3.35Å; V520-E524 PolarHBondContact O-N 2.94Å
521	F	78.3	Confident	83.6	Confident	88 Å²	88	85.3 Å²	85.3	39%	0.386	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-36.9	177.3	-80.5	-51.9	0	0	0	113.5	V517 G518 I519 S525	V517-F521 HydrophobicContact CG1-CD2 3.73Å; V517-F521 HydrophobicContact CG1-CE2 3.46Å; V517-F521 VanDerWaalsContact CG1-CE2 3.46Å; V517-F521 HydrophobicContact CG1-CZ 4.47Å; V517-F521 WeakPolarHBondContact O-CD2 3.48Å; V517-F521 PolarHBondContact O-N 2.77Å; G518-F521 PolarHBondContact O-N 3.35Å; I519-F521 VanDerWaalsContact C-N 3.35Å; I519-F521 PolarHBondContact O-N 3.33Å; F521-S525 WeakPolarHBondContact O-CB 3.04Å; F521-S525 PolarHBondContact O-N 3.45Å; F521-S525 PolarHBondContact O-OG 3.27Å
522	V	85.3	Confident	82.7	Confident	82 Å²	82	86.6 Å²	86.6	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-45.9	175.2	171.2	0	0	0	0	110.5	G518 I519 V520 S525 F526	G518-V522 WeakPolarHBondContact O-CG2 3.4Å; G518-V522 PolarHBondContact O-N 3.39Å; G518-V522 VanDerWaalsContact O-N 3.15Å; I519-V522 PolarHBondContact O-N 3.22Å; V520-V522 VanDerWaalsContact C-N 3.31Å; V520-V522 PolarHBondContact O-N 3.26Å; V522-S525 WeakPolarHBondContact O-CB 3.49Å; V522-S525 PolarHBondContact O-N 2.84Å; V522-F526 HydrophobicContact CG1-CD2 3.96Å; V522-F526 HydrophobicContact CG1-CE2 3.7Å; V522-F526 WeakPolarHBondContact O-CD2 3.21Å; V522-F526 PolarHBondContact O-N 3.2Å; V522-F526 VanDerWaalsContact O-N 3.15Å
523	V	85.6	Confident	81.8	Confident	72 Å²	72	85.4 Å²	85.4	44%	0.436	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-48.9	178.9	172.5	0	0	0	0	111	I519 V520 S525 F526 E527	I519-V523 HydrophobicContact CG2-CG2 4.33Å; I519-V523 WeakPolarHBondContact O-CG2 3.28Å; I519-V523 PolarHBondContact O-N 2.79Å; V520-V523 PolarHBondContact O-N 2.91Å; V523-S525 VanDerWaalsContact C-N 3.25Å; V523-S525 PolarHBondContact O-N 2.66Å; V523-F526 PolarHBondContact O-N 3.43Å; V523-E527 HydrophobicContact CG1-CG 4.48Å; V523-E527 PolarHBondContact O-N 3.34Å
524	E	75	Confident	81.1	Confident	82 Å²	82	89.2 Å²	89.2	38%	0.383	50%	0.495	S	S	.	.	H	α-helix	trans	-58.2	-38.4	176.9	-75.8	-177.7	167.8	0	0	111.8	V520 F526 E527 A528	V520-E524 HydrophobicContact CG1-CG 4.28Å; V520-E524 WeakPolarHBondContact O-CB 3.42Å; V520-E524 WeakPolarHBondContact O-CG 3.35Å; V520-E524 PolarHBondContact O-N 2.94Å; E524-F526 PolarHBondContact O-N 3.19Å; E524-E527 PolarHBondContact O-N 3.17Å; E524-A528 WeakPolarHBondContact O-CB 3.36Å; E524-A528 PolarHBondContact O-N 3.33Å
525	S	76	Confident	80.1	Confident	73 Å²	73	94 Å²	94	51%	0.51	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-42.2	175.8	-61.5	0	0	0	0	111.9	F521 V522 V523 V529	F521-S525 WeakPolarHBondContact O-CB 3.04Å; F521-S525 PolarHBondContact O-N 3.45Å; F521-S525 PolarHBondContact O-OG 3.27Å; V522-S525 WeakPolarHBondContact O-CB 3.49Å; V522-S525 PolarHBondContact O-N 2.84Å; V523-S525 VanDerWaalsContact C-N 3.25Å; V523-S525 PolarHBondContact O-N 2.66Å; S525-V529 WeakPolarHBondContact O-CG2 3.46Å; S525-V529 PolarHBondContact O-N 3.32Å
526	F	85.4	Confident	78.9	Confident	124 Å²	124	93 Å²	93	54%	0.544	51%	0.508	S	S	.	.	H	α-helix	trans	-66.7	-41.8	174.9	-79.9	-69.5	0	0	0	112	V522 V523 E524 A528 V529 F530	V522-F526 HydrophobicContact CG1-CD2 3.96Å; V522-F526 HydrophobicContact CG1-CE2 3.7Å; V522-F526 WeakPolarHBondContact O-CD2 3.21Å; V522-F526 PolarHBondContact O-N 3.2Å; V522-F526 VanDerWaalsContact O-N 3.15Å; V523-F526 PolarHBondContact O-N 3.43Å; E524-F526 PolarHBondContact O-N 3.19Å; F526-A528 VanDerWaalsContact C-N 3.34Å; F526-A528 PolarHBondContact O-N 3.41Å; F526-V529 PolarHBondContact O-N 2.79Å; F526-F530 HydrophobicContact CB-CD2 4.36Å; F526-F530 HydrophobicContact CB-CE2 4.26Å; F526-F530 HydrophobicContact CD1-CE2 4.48Å; F526-F530 WeakPolarHBondContact O-CD2 3.18Å; F526-F530 PolarHBondContact O-N 3.3Å
527	E	77.5	Confident	77.8	Confident	124 Å²	124	93 Å²	93	58%	0.579	51%	0.513	S	S	*	.	H	α-helix	trans	-59.8	-43.8	176.9	-72.2	-175.5	171.6	0	0	111.9	V523 E524 V529 F530 A531	V523-E527 HydrophobicContact CG1-CG 4.48Å; V523-E527 PolarHBondContact O-N 3.34Å; E524-E527 PolarHBondContact O-N 3.17Å; E527-V529 VanDerWaalsContact C-N 3.34Å; E527-V529 PolarHBondContact O-N 3.32Å; E527-F530 PolarHBondContact O-N 3.41Å; E527-A531 VanDerWaalsContact O-CB 3.32Å; E527-A531 WeakPolarHBondContact O-CB 3.27Å; E527-A531 PolarHBondContact O-N 3.34Å
528	A	71.8	Confident	76.7	Confident	63 Å²	63	98.5 Å²	98.5	52%	0.521	54%	0.539	S	S	.	.	H	α-helix	trans	-59.4	-43.1	174.9	0	0	0	0	0	112.1	E524 F526 A531 L532	E524-A528 WeakPolarHBondContact O-CB 3.36Å; E524-A528 PolarHBondContact O-N 3.33Å; F526-A528 VanDerWaalsContact C-N 3.34Å; F526-A528 PolarHBondContact O-N 3.41Å; A528-A531 PolarHBondContact O-N 2.74Å; A528-L532 WeakPolarHBondContact O-CB 3.35Å; A528-L532 PolarHBondContact O-N 3.16Å
529	V	79.9	Confident	75.4	Confident	93 Å²	93	101.6 Å²	101.6	56%	0.564	55%	0.551	S	S	*	*	H	α-helix	trans	-65.1	-42.6	176.4	172.3	0	0	0	0	111.6	S525 F526 E527 L532 S533	S525-V529 WeakPolarHBondContact O-CG2 3.46Å; S525-V529 PolarHBondContact O-N 3.32Å; F526-V529 PolarHBondContact O-N 2.79Å; E527-V529 VanDerWaalsContact C-N 3.34Å; E527-V529 PolarHBondContact O-N 3.32Å; V529-L532 PolarHBondContact O-N 2.89Å; V529-S533 PolarHBondContact O-N 3.17Å
530	F	79.9	Confident	74	Confident	130 Å²	130	106.7 Å²	106.7	57%	0.57	57%	0.57	S	S	*	*	H	α-helix	trans	-68.2	-39.3	177.9	-77.4	-59.6	0	0	0	112.5	F526 E527 L532 S533 R534	F526-F530 HydrophobicContact CB-CD2 4.36Å; F526-F530 HydrophobicContact CB-CE2 4.26Å; F526-F530 HydrophobicContact CD1-CE2 4.48Å; F526-F530 WeakPolarHBondContact O-CD2 3.18Å; F526-F530 PolarHBondContact O-N 3.3Å; E527-F530 PolarHBondContact O-N 3.41Å; F530-L532 VanDerWaalsContact C-N 3.31Å; F530-L532 PolarHBondContact O-N 3.39Å; F530-S533 PolarHBondContact O-N 2.99Å; F530-R534 PolarHBondContact O-N 3.26Å
531	A	72	Confident	72.6	Confident	46 Å²	46	109.6 Å²	109.6	38%	0.38	58%	0.583	S	S	.	*	H	α-helix	trans	-59.8	-44.4	173.8	0	0	0	0	0	110.5	E527 A528 S533 R534 H535	E527-A531 VanDerWaalsContact O-CB 3.32Å; E527-A531 WeakPolarHBondContact O-CB 3.27Å; E527-A531 PolarHBondContact O-N 3.34Å; A528-A531 PolarHBondContact O-N 2.74Å; A531-S533 PolarHBondContact O-N 3.26Å; A531-R534 PolarHBondContact O-N 3.3Å; A531-H535 PolarHBondContact O-N 2.77Å; A531-H535 PolarHBondContact O-ND1 2.95Å
532	L	71.7	Confident	71.6	Confident	119 Å²	119	113.9 Å²	113.9	62%	0.623	60%	0.602	S	S	*	*	H	α-helix	trans	-61.1	-44.1	175.4	-175	65.2	0	0	0	112	A528 V529 F530 R534 H535 A536	A528-L532 WeakPolarHBondContact O-CB 3.35Å; A528-L532 PolarHBondContact O-N 3.16Å; V529-L532 PolarHBondContact O-N 2.89Å; F530-L532 VanDerWaalsContact C-N 3.31Å; F530-L532 PolarHBondContact O-N 3.39Å; L532-R534 PolarHBondContact O-N 3.1Å; L532-H535 PolarHBondContact O-N 3.27Å; L532-A536 PolarHBondContact O-N 3.36Å
533	S	73.8	Confident	70.1	Confident	73 Å²	73	121.1 Å²	121.1	51%	0.51	62%	0.62	S	S	.	*	H	α-helix	trans	-61.7	-26	178.6	-178.1	0	0	0	0	113.4	V529 F530 A531	V529-S533 PolarHBondContact O-N 3.17Å; F530-S533 PolarHBondContact O-N 2.99Å; A531-S533 PolarHBondContact O-N 3.26Å
534	R	74.2	Confident	68.4	Low	217 Å²	217	124.5 Å²	124.5	82%	0.819	64%	0.636	S	S	*	*	H	α-helix	trans	-82	-38.4	176	-69.8	-177.9	-175.7	175.1	3.2	112.4	F530 A531 L532	F530-R534 PolarHBondContact O-N 3.26Å; A531-R534 PolarHBondContact O-N 3.3Å; L532-R534 PolarHBondContact O-N 3.1Å
535	H	66.5	Low	67	Low	163 Å²	163	125 Å²	125	76%	0.755	66%	0.655	S	S	*	*	H	α-helix	trans	-79.4	-30.8	-178.7	-69.3	83.5	0	0	0	112.9	A531 L532	A531-H535 PolarHBondContact O-N 2.77Å; A531-H535 PolarHBondContact O-ND1 2.95Å; L532-H535 PolarHBondContact O-N 3.27Å
536	A	68.3	Low	65.3	Low	63 Å²	63	129.1 Å²	129.1	52%	0.521	69%	0.693	S	S	.	*	S	Bend	trans	-136.7	77.9	179.5	0	0	0	0	0	110.4	L532 L538	L532-A536 PolarHBondContact O-N 3.36Å; A536-L538 PolarHBondContact O-N 2.86Å
537	P	67.2	Low	64.3	Low	90 Å²	90	129.4 Å²	129.4	58%	0.584	70%	0.7	S	S	*	*			trans	-61	138.2	178.3	24.9	-32.9	0	0	0	110.5	T539	P537-T539 PolarHBondContact O-N 3.15Å
538	L	61.4	Low	63.6	Low	168 Å²	168	129.7 Å²	129.7	88%	0.88	71%	0.707	S	S	*	*			trans	-56.5	106.4	173.6	-76.7	163.8	0	0	0	109.5	A536 K540	A536-L538 PolarHBondContact O-N 2.86Å; L538-K540 PolarHBondContact O-N 2.78Å
539	T	60.1	Low	63.1	Low	102 Å²	102	133.4 Å²	133.4	63%	0.626	72%	0.717	S	S	*	*			trans	-64.1	100.9	173.1	18.9	0	0	0	0	108.8	P537 N541	P537-T539 PolarHBondContact O-N 3.15Å; T539-N541 PolarHBondContact O-N 3.27Å; T539-N541 VanDerWaalsContact O-N 3.15Å
540	K	60.4	Low	62.1	Low	203 Å²	203	135.8 Å²	135.8	88%	0.883	73%	0.726	S	S	*	*	S	Bend	trans	-61.6	-19.2	175	-74.1	-175.9	177	179.2	0	113.1	L538	L538-K540 PolarHBondContact O-N 2.78Å
541	N	54.1	Low	61	Low	126 Å²	126	136.1 Å²	136.1	67%	0.674	74%	0.736	S	S	*	*			trans	-105.4	78.5	-178.2	-70.9	-20.2	0	0	0	111.4	T539 R543	T539-N541 PolarHBondContact O-N 3.27Å; T539-N541 VanDerWaalsContact O-N 3.15Å; N541-R543 PolarHBondContact O-N 3.16Å; N541-R543 VanDerWaalsContact O-N 3.12Å
542	F	57.6	Low	60.3	Low	178 Å²	178	142.1 Å²	142.1	78%	0.781	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-65.3	-4.4	167.6	-98.4	-85.9	0	0	0	113.7
543	R	52.8	Low	59.5	Low	235 Å²	235	143.8 Å²	143.8	89%	0.887	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-82.1	-9.4	-173.5	-107.6	-177.4	179.2	177.2	-0.1	116.3	N541	N541-R543 PolarHBondContact O-N 3.16Å; N541-R543 VanDerWaalsContact O-N 3.12Å
544	N	50.5	Low	58.4	Low	142 Å²	142	149.2 Å²	149.2	76%	0.759	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-118.8	19.4	-177.9	-67.9	5.7	0	0	0	113.6
545	A	46.7	Very low	57	Low	94 Å²	94	143.6 Å²	143.6	78%	0.777	79%	0.787	S	S	*	*			trans	-100.7	7.7	178.9	0	0	0	0	0	114.2
546	A	38.7	Very low	56.2	Low	159 Å²	159	141.8 Å²	141.8	100%	1.314	79%	0.79	S	S	*	*			trans	-115.9	0	163.8	0	0	0	0	0	107.7

Retrieved 546 of 546 residues in 892.9 ms (Link to these results)

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