A0A096MA34_POEFO Loading...

Adhesion G protein-coupled receptor L4

AlphaFold DB , UniProt , Accession A0A096MA34, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 724 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	34.4	Very low	53.1	Low	228 Å²	228	110.9 Å²	110.9	100%	1.123	68%	0.678	S	S	*	*				0	56	0	-59.2	-169.9	-179	0	0	107.2
2	D	49	Very low	54.9	Low	159 Å²	159	107.1 Å²	107.1	85%	0.85	66%	0.659	S	S	*	*				75.8	89.6	74.1	-62.6	-45.3	0	0	0	111.2
3	A	42.6	Very low	56.9	Low	109 Å²	109	101.2 Å²	101.2	90%	0.901	62%	0.624	S	S	*	*			trans	-170.3	75.1	162.7	0	0	0	0	0	108.2
4	G	50	Low	58.9	Low	79 Å²	79	97.5 Å²	97.5	81%	0.814	60%	0.596	S	S	*	*	S	Bend	trans	173.5	71.1	-179.2	0	0	0	0	0	113.3
5	S	52.9	Low	60.6	Low	87 Å²	87	97.9 Å²	97.9	61%	0.608	61%	0.605	S	S	*	*	S	Bend	trans	156.3	69.6	152.1	-177.3	0	0	0	0	108.4
6	L	50.9	Low	62.2	Low	102 Å²	102	95.8 Å²	95.8	53%	0.534	58%	0.584	S	S	.	*	S	Bend	trans	-140.6	18.3	168.8	-135.4	104.6	0	0	0	112.4	S25	L6-S25 WeakPolarHBondContact CD2-O 3.42Å
7	S	53	Low	63.6	Low	87 Å²	87	91.1 Å²	91.1	61%	0.608	56%	0.558	S	S	*	*	S	Bend	trans	-124.6	-7.8	173.9	73.7	0	0	0	0	115.2
8	D	58.5	Low	64.9	Low	111 Å²	111	89.8 Å²	89.8	59%	0.594	55%	0.55	S	S	*	.	S	Bend	trans	-86.3	-13.1	-175.7	-89.1	-20.6	0	0	0	114.7	S12	D8-S12 PolarHBondContact O-OG 3.1Å
9	I	59.6	Low	65.9	Low	73 Å²	73	86.9 Å²	86.9	37%	0.374	53%	0.533	S	S	.	.	S	Bend	trans	-72.1	-40.2	-177.9	-62.3	173	0	0	0	110.6	D11 S12 N27	I9-D11 PolarHBondContact O-N 2.77Å; I9-S12 PolarHBondContact O-N 3.07Å; I9-S12 PolarHBondContact O-OG 2.03Å; I9-N27 WeakPolarHBondContact CG2-O 3.08Å
10	C	63.3	Low	66.7	Low	41 Å²	41	88.8 Å²	88.8	28%	0.277	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-69.9	-27.7	-175.6	-64.4	0	0	0	0	114.4	S12 C19	C10-S12 PolarHBondContact O-N 3.02Å; C10-C19 WeakPolarHBondContact CA-SG 3.34Å; C10-C19 HydrophobicContact CB-CB 3.53Å; C10-C19 WeakPolarHBondContact CB-SG 3.07Å; C10-C19 WeakPolarHBondContact SG-CB 3.18Å; C10-C19 CovalentContact SG-SG 2.03Å; C10-C19 PolarHBondContact SG-SG 3.39Å
11	D	69.5	Low	67.1	Low	144 Å²	144	89.4 Å²	89.4	77%	0.77	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-76.6	-10.6	-179.6	-70.8	-20.4	0	0	0	112.6	I9	I9-D11 PolarHBondContact O-N 2.77Å
12	S	74.6	Confident	68.7	Low	65 Å²	65	82.7 Å²	82.7	46%	0.455	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-112.1	9.9	-176.9	65.2	0	0	0	0	114.2	D8 I9 C10	D8-S12 PolarHBondContact O-OG 3.1Å; I9-S12 PolarHBondContact O-N 3.07Å; I9-S12 PolarHBondContact O-OG 2.03Å; C10-S12 PolarHBondContact O-N 3.02Å
13	C	81.6	Confident	69.4	Low	30 Å²	30	82.8 Å²	82.8	20%	0.203	51%	0.506	C	S	.	.			trans	-65.5	148.4	177.3	-60.6	0	0	0	0	111.9	A17 C29	C13-A17 HydrophobicContact CB-CB 4.25Å; C13-C29 WeakPolarHBondContact CA-SG 3.09Å; C13-C29 HydrophobicContact CB-CB 3.81Å; C13-C29 WeakPolarHBondContact CB-SG 3.19Å; C13-C29 WeakPolarHBondContact SG-CB 3.5Å; C13-C29 CovalentContact SG-SG 2.03Å; C13-C29 PolarHBondContact SG-SG 3.49Å
14	H	84.6	Confident	70.3	Confident	50 Å²	50	81.4 Å²	81.4	23%	0.231	50%	0.503	C	S	.	.			trans	-57.8	151.7	173.4	-174.2	-95.5	0	0	0	111.1	K16 A17 G39 I40 T41	H14-K16 PolarHBondContact ND1-N 3.4Å; H14-K16 PolarHBondContact O-N 2.03Å; H14-A17 HydrophobicContact CB-CB 4.22Å; H14-A17 WeakPolarHBondContact O-CB 3.05Å; H14-A17 PolarHBondContact O-N 3.36Å; H14-G39 PolarHBondContact N-O 3.46Å; H14-I40 PolarHBondContact N-O 3.34Å; H14-T41 PolarHBondContact CD2-O 2.99Å
15	S	84.9	Confident	70.8	Confident	104 Å²	104	82 Å²	82	73%	0.727	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20	-176.5	61.4	0	0	0	0	114.7
16	K	86.4	Confident	71.6	Confident	64 Å²	64	80.4 Å²	80.4	28%	0.278	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	24	176.5	-55.8	-73.5	-172.2	144.9	0	112.7	H14 N32 Y35 C43 E66	H14-K16 PolarHBondContact ND1-N 3.4Å; H14-K16 PolarHBondContact O-N 2.03Å; K16-N32 VanDerWaalsContact C-ND2 3.34Å; K16-N32 VanDerWaalsContact O-CB 3.27Å; K16-N32 WeakPolarHBondContact O-CB 3.5Å; K16-N32 PolarHBondContact O-N 3.11Å; K16-N32 PolarHBondContact O-ND2 2.98Å; K16-Y35 HydrophobicContact CB-CD1 4.45Å; K16-Y35 HydrophobicContact CB-CE1 4.48Å; K16-Y35 HydrophobicContact CB-CE2 4.5Å; K16-Y35 HydrophobicContact CB-CG 4.49Å; K16-Y35 HydrophobicContact CD-CE1 4.44Å; K16-Y35 HydrophobicContact CD-CE2 4.31Å; K16-Y35 HydrophobicContact CG-CE1 4.24Å; K16-Y35 PolarHBondContact NZ-OH 2.7Å; K16-C43 HydrophobicContact CB-CB 4.18Å; K16-E66 WeakPolarHBondContact CE-OE1 3.18Å; K16-E66 IonicContact NZ-OE1 3.08Å; K16-E66 PolarHBondContact NZ-OE1 3.49Å
17	A	86.2	Confident	72.6	Confident	16 Å²	16	78.1 Å²	78.1	13%	0.132	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.4	177.7	0	0	0	0	0	111.7	C13 H14 F30 G39	C13-A17 HydrophobicContact CB-CB 4.25Å; H14-A17 HydrophobicContact CB-CB 4.22Å; H14-A17 WeakPolarHBondContact O-CB 3.05Å; H14-A17 PolarHBondContact O-N 3.36Å; A17-F30 CarbonylContact C-O 3.47Å; A17-F30 WeakPolarHBondContact CA-O 3.34Å; A17-F30 WeakPolarHBondContact CB-O 3.22Å; A17-G39 VanDerWaalsContact CB-O 3.29Å; A17-G39 WeakPolarHBondContact CB-O 3.48Å
18	T	85.8	Confident	73.9	Confident	67 Å²	67	75.8 Å²	75.8	41%	0.411	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.9	176.1	-59.2	0	0	0	0	109.9	K20 F30 N32	T18-K20 HydrophobicContact CG2-CG 4.4Å; T18-F30 PolarHBondContact N-O 3.41Å; T18-F30 PolarHBondContact O-N 2.79Å; T18-N32 PolarHBondContact N-OD1 2.96Å; T18-N32 PolarHBondContact OG1-OD1 3.31Å
19	C	83.8	Confident	75.2	Confident	36 Å²	36	70.8 Å²	70.8	24%	0.243	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	125.4	175	-154.9	0	0	0	0	110.9	C10	C10-C19 WeakPolarHBondContact CA-SG 3.34Å; C10-C19 HydrophobicContact CB-CB 3.53Å; C10-C19 WeakPolarHBondContact CB-SG 3.07Å; C10-C19 WeakPolarHBondContact SG-CB 3.18Å; C10-C19 CovalentContact SG-SG 2.03Å; C10-C19 PolarHBondContact SG-SG 3.39Å
20	K	82.1	Confident	76.4	Confident	124 Å²	124	71.4 Å²	71.4	54%	0.539	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.8	176.3	-66	-177.7	-179.6	174.5	0	110.9	T18 S28 F30	T18-K20 HydrophobicContact CG2-CG 4.4Å; K20-S28 PolarHBondContact N-O 2.63Å; K20-S28 PolarHBondContact O-N 3.06Å; K20-S28 VanDerWaalsContact O-N 3.07Å; K20-F30 HydrophobicContact CB-CD2 3.94Å; K20-F30 HydrophobicContact CB-CE2 4.1Å
21	P	74.6	Confident	77.6	Confident	101 Å²	101	70.8 Å²	70.8	66%	0.656	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.8	175.2	28.3	-32.4	0	0	0	110.5
22	Q	69.8	Low	78.4	Confident	88 Å²	88	66.6 Å²	66.6	41%	0.411	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123	176.2	-168.5	168.9	23.2	0	0	108.8	G24 S26	Q22-G24 VanDerWaalsContact C-N 3.31Å; Q22-G24 PolarHBondContact O-N 3.46Å; Q22-G24 VanDerWaalsContact O-N 3.1Å; Q22-S26 PolarHBondContact N-O 2.78Å; Q22-S26 PolarHBondContact O-N 3.04Å
23	D	63.4	Low	78.8	Confident	161 Å²	161	73.2 Å²	73.2	86%	0.861	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.9	53.9	176	-66.7	-39.3	0	0	0	115.1	S25	D23-S25 VanDerWaalsContact C-N 3.25Å; D23-S25 PolarHBondContact O-N 2.99Å
24	G	60.8	Low	78.8	Confident	80 Å²	80	72 Å²	72	83%	0.825	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	-1.8	162.4	0	0	0	0	0	117.6	Q22	Q22-G24 VanDerWaalsContact C-N 3.31Å; Q22-G24 PolarHBondContact O-N 3.46Å; Q22-G24 VanDerWaalsContact O-N 3.1Å
25	S	61.3	Low	78.9	Confident	91 Å²	91	70.8 Å²	70.8	64%	0.636	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.5	8.4	178.7	-162	0	0	0	0	117.4	L6 D23	L6-S25 WeakPolarHBondContact CD2-O 3.42Å; D23-S25 VanDerWaalsContact C-N 3.25Å; D23-S25 PolarHBondContact O-N 2.99Å
26	S	69.1	Low	79	Confident	54 Å²	54	70 Å²	70	38%	0.378	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.4	168.8	65.3	0	0	0	0	112.1	Q22	Q22-S26 PolarHBondContact N-O 2.78Å; Q22-S26 PolarHBondContact O-N 3.04Å
27	N	72.5	Confident	79	Confident	54 Å²	54	69.1 Å²	69.1	29%	0.289	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.4	174	-73.7	-9.7	0	0	0	109.2	I9	I9-N27 WeakPolarHBondContact CG2-O 3.08Å
28	S	79.8	Confident	78.8	Confident	38 Å²	38	72.2 Å²	72.2	27%	0.266	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.5	178.5	-170.6	0	0	0	0	110.9	K20 F30	K20-S28 PolarHBondContact N-O 2.63Å; K20-S28 PolarHBondContact O-N 3.06Å; K20-S28 VanDerWaalsContact O-N 3.07Å; S28-F30 WeakPolarHBondContact O-CD2 3.49Å; S28-F30 WeakPolarHBondContact O-CE2 3.29Å
29	C	84.5	Confident	78.6	Confident	6 Å²	6	69 Å²	69	4%	0.041	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.9	175.4	-57.7	0	0	0	0	109.5	C13 G39 I40	C13-C29 WeakPolarHBondContact CA-SG 3.09Å; C13-C29 HydrophobicContact CB-CB 3.81Å; C13-C29 WeakPolarHBondContact CB-SG 3.19Å; C13-C29 WeakPolarHBondContact SG-CB 3.5Å; C13-C29 CovalentContact SG-SG 2.03Å; C13-C29 PolarHBondContact SG-SG 3.49Å; C29-G39 WeakPolarHBondContact CB-O 3.41Å; C29-I40 HydrophobicContact CB-CG1 4.19Å
30	F	86.3	Confident	78.4	Confident	86 Å²	86	71.2 Å²	71.2	38%	0.377	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.2	173.6	-62.7	-85.8	0	0	0	108.8	A17 T18 K20 S28	A17-F30 CarbonylContact C-O 3.47Å; A17-F30 WeakPolarHBondContact CA-O 3.34Å; A17-F30 WeakPolarHBondContact CB-O 3.22Å; T18-F30 PolarHBondContact N-O 3.41Å; T18-F30 PolarHBondContact O-N 2.79Å; K20-F30 HydrophobicContact CB-CD2 3.94Å; K20-F30 HydrophobicContact CB-CE2 4.1Å; S28-F30 WeakPolarHBondContact O-CD2 3.49Å; S28-F30 WeakPolarHBondContact O-CE2 3.29Å
31	C	87.5	Confident	78.3	Confident	28 Å²	28	69.9 Å²	69.9	19%	0.189	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	144.5	172.1	-64.5	0	0	0	0	110.4	Y35 C43	C31-Y35 WeakPolarHBondContact CB-O 3.07Å; C31-C43 VanDerWaalsContact CA-SG 3.55Å; C31-C43 HydrophobicContact CB-CB 3.9Å; C31-C43 WeakPolarHBondContact CB-SG 3.07Å; C31-C43 VanDerWaalsContact SG-CA 3.54Å; C31-C43 WeakPolarHBondContact SG-CB 3.2Å; C31-C43 CovalentContact SG-SG 2.05Å; C31-C43 PolarHBondContact SG-SG 2.83Å
32	N	87.5	Confident	78.8	Confident	56 Å²	56	67.7 Å²	67.7	30%	0.299	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-62.7	159.2	176.2	-67.8	-19.7	0	0	0	109.6	K16 T18 G34 Y35	K16-N32 VanDerWaalsContact C-ND2 3.34Å; K16-N32 VanDerWaalsContact O-CB 3.27Å; K16-N32 WeakPolarHBondContact O-CB 3.5Å; K16-N32 PolarHBondContact O-N 3.11Å; K16-N32 PolarHBondContact O-ND2 2.98Å; T18-N32 PolarHBondContact N-OD1 2.96Å; T18-N32 PolarHBondContact OG1-OD1 3.31Å; N32-G34 PolarHBondContact O-N 2.71Å; N32-Y35 HydrophobicContact CB-CD2 4.37Å; N32-Y35 PolarHBondContact O-N 3.38Å; N32-Y35 VanDerWaalsContact O-N 3.11Å
33	Y	82.4	Confident	79.6	Confident	203 Å²	203	63.9 Å²	63.9	80%	0.796	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	135.1	177	-169.8	-88.6	0	0	0	110.7
34	G	82.1	Confident	80.8	Confident	6 Å²	6	61.2 Å²	61.2	6%	0.062	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	8.5	-173.7	0	0	0	0	0	115.1	N32 D46	N32-G34 PolarHBondContact O-N 2.71Å; G34-D46 PolarHBondContact O-N 3.48Å
35	Y	86.8	Confident	82.1	Confident	24 Å²	24	59.9 Å²	59.9	9%	0.094	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.7	177	-62.8	-95.3	0	0	0	112.1	K16 C31 N32 N44 D45 D46 E66 G67	K16-Y35 HydrophobicContact CB-CD1 4.45Å; K16-Y35 HydrophobicContact CB-CE1 4.48Å; K16-Y35 HydrophobicContact CB-CE2 4.5Å; K16-Y35 HydrophobicContact CB-CG 4.49Å; K16-Y35 HydrophobicContact CD-CE1 4.44Å; K16-Y35 HydrophobicContact CD-CE2 4.31Å; K16-Y35 HydrophobicContact CG-CE1 4.24Å; K16-Y35 PolarHBondContact NZ-OH 2.7Å; C31-Y35 WeakPolarHBondContact CB-O 3.07Å; N32-Y35 HydrophobicContact CB-CD2 4.37Å; N32-Y35 PolarHBondContact O-N 3.38Å; N32-Y35 VanDerWaalsContact O-N 3.11Å; Y35-N44 CarbonylContact C-O 3.58Å; Y35-N44 WeakPolarHBondContact CA-O 3.1Å; Y35-N44 WeakPolarHBondContact CB-O 3.27Å; Y35-D45 HydrophobicContact CD1-CB 4.3Å; Y35-D45 HydrophobicContact CE1-CB 4.14Å; Y35-D46 VanDerWaalsContact C-OD2 3.24Å; Y35-D46 PolarHBondContact N-OD2 3.44Å; Y35-E66 WeakPolarHBondContact OH-CG 3.46Å; Y35-E66 PolarHBondContact OH-OE1 2.92Å; Y35-G67 VanDerWaalsContact CZ-CA 3.45Å; Y35-G67 WeakPolarHBondContact OH-CA 3.49Å; Y35-G67 PolarHBondContact OH-N 3.17Å
36	T	86.5	Confident	83.4	Confident	86 Å²	86	57.2 Å²	57.2	53%	0.528	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.1	174.6	-65.3	0	0	0	0	111.7	N44 D46	T36-N44 PolarHBondContact N-O 3.11Å; T36-N44 PolarHBondContact O-N 3.38Å; T36-D46 WeakPolarHBondContact CB-OD1 3.27Å; T36-D46 PolarHBondContact N-OD1 3.43Å; T36-D46 PolarHBondContact N-OD2 3.04Å; T36-D46 PolarHBondContact OG1-OD1 2.78Å; T36-D46 PolarHBondContact OG1-OD2 2.91Å
37	G	86.2	Confident	84.3	Confident	47 Å²	47	56.6 Å²	56.6	49%	0.485	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.2	-162.4	177	0	0	0	0	0	113	G39 T42	G37-G39 VanDerWaalsContact C-N 3.32Å; G37-T42 CarbonylContact C-O 3.54Å; G37-T42 VanDerWaalsContact CA-O 3.27Å; G37-T42 WeakPolarHBondContact CA-O 3.19Å
38	D	83.1	Confident	85	Confident	80 Å²	80	55.1 Å²	55.1	43%	0.428	30%	0.301	S	S	.	.			trans	-84.4	-5.6	-177.7	71	-4.2	0	0	0	113.3	I40 T41 T42	D38-I40 PolarHBondContact O-N 2.05Å; D38-I40 PolarHBondContact OD1-N 3.3Å; D38-I40 VanDerWaalsContact OD1-N 3.11Å; D38-T41 PolarHBondContact OD1-N 2.89Å; D38-T41 PolarHBondContact OD1-OG1 2.98Å; D38-T41 PolarHBondContact OD2-OG1 3.4Å; D38-T42 PolarHBondContact N-O 2.87Å; D38-T42 PolarHBondContact OD1-N 3.24Å
39	G	80.9	Confident	85.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	73.1	-12	178.5	0	0	0	0	0	114.9	H14 A17 C29 G37 T42	H14-G39 PolarHBondContact N-O 3.46Å; A17-G39 VanDerWaalsContact CB-O 3.29Å; A17-G39 WeakPolarHBondContact CB-O 3.48Å; C29-G39 WeakPolarHBondContact CB-O 3.41Å; G37-G39 VanDerWaalsContact C-N 3.32Å; G39-T42 PolarHBondContact N-O 3.34Å
40	I	80.2	Confident	85.4	Confident	83 Å²	83	62.2 Å²	62.2	43%	0.426	33%	0.333	S	S	.	.	S	Bend	trans	-108.9	-51.4	-174.6	-58.8	174.3	0	0	0	110.1	H14 C29 D38	H14-I40 PolarHBondContact N-O 3.34Å; C29-I40 HydrophobicContact CB-CG1 4.19Å; D38-I40 PolarHBondContact O-N 2.05Å; D38-I40 PolarHBondContact OD1-N 3.3Å; D38-I40 VanDerWaalsContact OD1-N 3.11Å
41	T	79.9	Confident	85.2	Confident	95 Å²	95	63.7 Å²	63.7	58%	0.583	35%	0.345	S	S	*	.	S	Bend	trans	-110.4	-29.6	-177.6	70.6	0	0	0	0	113.2	H14 D38	H14-T41 PolarHBondContact CD2-O 2.99Å; D38-T41 PolarHBondContact OD1-N 2.89Å; D38-T41 PolarHBondContact OD1-OG1 2.98Å; D38-T41 PolarHBondContact OD2-OG1 3.4Å
42	T	84.4	Confident	84.9	Confident	55 Å²	55	65.8 Å²	65.8	34%	0.337	36%	0.357	S	S	.	.			trans	-139	122.9	-169.8	-50.4	0	0	0	0	109.6	G37 D38 G39 N44	G37-T42 CarbonylContact C-O 3.54Å; G37-T42 VanDerWaalsContact CA-O 3.27Å; G37-T42 WeakPolarHBondContact CA-O 3.19Å; D38-T42 PolarHBondContact N-O 2.87Å; D38-T42 PolarHBondContact OD1-N 3.24Å; G39-T42 PolarHBondContact N-O 3.34Å; T42-N44 WeakPolarHBondContact CG2-ND2 3.5Å
43	C	87.2	Confident	84.4	Confident	9 Å²	9	69.7 Å²	69.7	6%	0.061	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	102.1	160.1	-71	0	0	0	0	107.3	K16 C31	K16-C43 HydrophobicContact CB-CB 4.18Å; C31-C43 VanDerWaalsContact CA-SG 3.55Å; C31-C43 HydrophobicContact CB-CB 3.9Å; C31-C43 WeakPolarHBondContact CB-SG 3.07Å; C31-C43 VanDerWaalsContact SG-CA 3.54Å; C31-C43 WeakPolarHBondContact SG-CB 3.2Å; C31-C43 CovalentContact SG-SG 2.05Å; C31-C43 PolarHBondContact SG-SG 2.83Å
44	N	87.9	Confident	84.2	Confident	105 Å²	105	65 Å²	65	56%	0.561	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.8	178.2	-67	-33.5	0	0	0	109.5	Y35 T36 T42 D46	Y35-N44 CarbonylContact C-O 3.58Å; Y35-N44 WeakPolarHBondContact CA-O 3.1Å; Y35-N44 WeakPolarHBondContact CB-O 3.27Å; T36-N44 PolarHBondContact N-O 3.11Å; T36-N44 PolarHBondContact O-N 3.38Å; T42-N44 WeakPolarHBondContact CG2-ND2 3.5Å; N44-D46 PolarHBondContact O-N 2.89Å
45	D	89.1	Confident	84.3	Confident	52 Å²	52	66.1 Å²	66.1	28%	0.278	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	129.1	175.1	-175.8	67.2	0	0	0	110.9	Y35 N47 N64 G67	Y35-D45 HydrophobicContact CD1-CB 4.3Å; Y35-D45 HydrophobicContact CE1-CB 4.14Å; D45-N47 PolarHBondContact O-N 3.37Å; D45-N64 PolarHBondContact OD2-ND2 2.75Å; D45-G67 WeakPolarHBondContact OD1-CA 2.92Å; D45-G67 PolarHBondContact OD1-N 3.17Å
46	D	88	Confident	84.2	Confident	34 Å²	34	65.4 Å²	65.4	18%	0.182	37%	0.374	C	S	.	.			trans	-79.6	112.4	174.9	-73	-33.4	0	0	0	108.6	G34 Y35 T36 N44 E48 N64	G34-D46 PolarHBondContact O-N 3.48Å; Y35-D46 VanDerWaalsContact C-OD2 3.24Å; Y35-D46 PolarHBondContact N-OD2 3.44Å; T36-D46 WeakPolarHBondContact CB-OD1 3.27Å; T36-D46 PolarHBondContact N-OD1 3.43Å; T36-D46 PolarHBondContact N-OD2 3.04Å; T36-D46 PolarHBondContact OG1-OD1 2.78Å; T36-D46 PolarHBondContact OG1-OD2 2.91Å; N44-D46 PolarHBondContact O-N 2.89Å; D46-E48 VanDerWaalsContact C-N 3.34Å; D46-E48 PolarHBondContact O-N 3.14Å; D46-N64 PolarHBondContact O-OD1 3.26Å
47	N	87.3	Confident	84	Confident	42 Å²	42	62.7 Å²	62.7	23%	0.225	36%	0.363	C	S	.	.			trans	-77	88.2	173.9	-170.7	-24.8	0	0	0	109.9	D45 C49 Q50 N51	D45-N47 PolarHBondContact O-N 3.37Å; N47-C49 PolarHBondContact O-N 3.2Å; N47-C49 WeakPolarHBondContact OD1-CB 3.46Å; N47-C49 PolarHBondContact OD1-N 3.05Å; N47-Q50 HydrophobicContact CB-CB 4.36Å; N47-Q50 PolarHBondContact O-N 3.02Å; N47-Q50 PolarHBondContact OD1-N 3.29Å; N47-N51 WeakPolarHBondContact O-CB 3.46Å; N47-N51 PolarHBondContact O-N 3.21Å
48	E	87.6	Confident	83.8	Confident	22 Å²	22	66.5 Å²	66.5	10%	0.103	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-25.6	-176	-55.6	93.4	162.8	0	0	112.1	D46 Q50 V52 I55 N64 Y69	D46-E48 VanDerWaalsContact C-N 3.34Å; D46-E48 PolarHBondContact O-N 3.14Å; E48-Q50 VanDerWaalsContact C-N 3.26Å; E48-Q50 PolarHBondContact O-N 3.24Å; E48-V52 PolarHBondContact O-N 3.36Å; E48-I55 HydrophobicContact CB-CD1 3.65Å; E48-N64 PolarHBondContact OE2-OD1 3.06Å; E48-N64 VanDerWaalsContact OE2-OD1 3.14Å; E48-Y69 HydrophobicContact CB-CD1 3.75Å; E48-Y69 HydrophobicContact CB-CE1 4.2Å; E48-Y69 HydrophobicContact CB-CG 4.2Å; E48-Y69 HydrophobicContact CG-CD1 3.82Å; E48-Y69 HydrophobicContact CG-CE1 4.21Å; E48-Y69 WeakPolarHBondContact OE2-CD1 3.39Å
49	C	86.5	Confident	84	Confident	39 Å²	39	68.6 Å²	68.6	26%	0.264	37%	0.374	S	S	.	.	H	α-helix	trans	-67.1	-23.4	174.8	-54.9	0	0	0	0	113.7	N47 C62 T63 N64	N47-C49 PolarHBondContact O-N 3.2Å; N47-C49 WeakPolarHBondContact OD1-CB 3.46Å; N47-C49 PolarHBondContact OD1-N 3.05Å; C49-C62 WeakPolarHBondContact CA-SG 3.41Å; C49-C62 HydrophobicContact CB-CB 3.65Å; C49-C62 WeakPolarHBondContact CB-SG 3.46Å; C49-C62 WeakPolarHBondContact SG-CB 3.39Å; C49-C62 CovalentContact SG-SG 2.03Å; C49-C62 PolarHBondContact SG-SG 3.34Å; C49-T63 VanDerWaalsContact SG-C 3.56Å; C49-N64 PolarHBondContact SG-N 2.71Å; C49-N64 VanDerWaalsContact SG-N 3.38Å
50	Q	85.6	Confident	84.3	Confident	155 Å²	155	69.6 Å²	69.6	72%	0.724	39%	0.385	S	S	*	.	H	α-helix	trans	-100.2	-33.7	175.1	-69.2	-176.6	-4.1	0	0	112.1	N47 E48	N47-Q50 HydrophobicContact CB-CB 4.36Å; N47-Q50 PolarHBondContact O-N 3.02Å; N47-Q50 PolarHBondContact OD1-N 3.29Å; E48-Q50 VanDerWaalsContact C-N 3.26Å; E48-Q50 PolarHBondContact O-N 3.24Å
51	N	82.2	Confident	84.7	Confident	117 Å²	117	70.9 Å²	70.9	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-80.7	-24.9	-174.6	-74	-11.8	0	0	0	113.4	N47	N47-N51 WeakPolarHBondContact O-CB 3.46Å; N47-N51 PolarHBondContact O-N 3.21Å
52	V	81.5	Confident	85.2	Confident	72 Å²	72	68 Å²	68	44%	0.436	37%	0.372	S	S	.	.	S	Bend	trans	-121.7	119.4	-179.8	-176.9	0	0	0	0	110.6	E48 I55	E48-V52 PolarHBondContact O-N 3.36Å; V52-I55 HydrophobicContact CB-CB 4.02Å; V52-I55 HydrophobicContact CB-CD1 4Å; V52-I55 HydrophobicContact CB-CG1 4.28Å; V52-I55 HydrophobicContact CG1-CB 3.86Å; V52-I55 HydrophobicContact CG1-CD1 4.26Å; V52-I55 HydrophobicContact CG1-CG1 4.07Å; V52-I55 HydrophobicContact CG2-CD1 4.23Å
53	T	76.9	Confident	85.5	Confident	137 Å²	137	67.5 Å²	67.5	84%	0.84	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	130.7	175.5	40.2	0	0	0	0	111.2	I55	T53-I55 VanDerWaalsContact C-N 3.31Å; T53-I55 PolarHBondContact O-N 2.93Å
54	N	78.2	Confident	85.6	Confident	106 Å²	106	69.3 Å²	69.3	57%	0.567	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	34.4	178.6	-154.2	32.3	0	0	0	114.9	C56 G57 D58	N54-C56 PolarHBondContact O-N 3.14Å; N54-C56 VanDerWaalsContact O-N 3.17Å; N54-G57 PolarHBondContact O-N 3.38Å; N54-G57 PolarHBondContact OD1-O 2.93Å; N54-D58 PolarHBondContact ND2-OD1 3.44Å
55	I	84.1	Confident	85.7	Confident	29 Å²	29	66.8 Å²	66.8	15%	0.149	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.2	-178.3	-164.2	169.4	0	0	0	113.2	E48 V52 T53 G57 C62 Y69 P87	E48-I55 HydrophobicContact CB-CD1 3.65Å; V52-I55 HydrophobicContact CB-CB 4.02Å; V52-I55 HydrophobicContact CB-CD1 4Å; V52-I55 HydrophobicContact CB-CG1 4.28Å; V52-I55 HydrophobicContact CG1-CB 3.86Å; V52-I55 HydrophobicContact CG1-CD1 4.26Å; V52-I55 HydrophobicContact CG1-CG1 4.07Å; V52-I55 HydrophobicContact CG2-CD1 4.23Å; T53-I55 VanDerWaalsContact C-N 3.31Å; T53-I55 PolarHBondContact O-N 2.93Å; I55-G57 VanDerWaalsContact C-N 3.34Å; I55-G57 PolarHBondContact O-N 3.03Å; I55-C62 HydrophobicContact CG2-CB 4.09Å; I55-C62 VanDerWaalsContact CG2-SG 3.55Å; I55-Y69 HydrophobicContact CD1-CD1 4.27Å; I55-Y69 HydrophobicContact CD1-CD2 4.22Å; I55-Y69 HydrophobicContact CD1-CE1 3.71Å; I55-Y69 HydrophobicContact CD1-CE2 3.63Å; I55-Y69 HydrophobicContact CG1-CE2 3.81Å; I55-Y69 HydrophobicContact CG2-CE2 4.39Å; I55-P87 WeakPolarHBondContact O-CG 3.39Å
56	C	84.4	Confident	85.6	Confident	8 Å²	8	71.1 Å²	71.1	5%	0.054	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	3.8	179.6	-66.5	0	0	0	0	115.6	N54 C62 C71	N54-C56 PolarHBondContact O-N 3.14Å; N54-C56 VanDerWaalsContact O-N 3.17Å; C56-C62 WeakPolarHBondContact SG-CA 3.27Å; C56-C62 WeakPolarHBondContact SG-CB 3.47Å; C56-C71 WeakPolarHBondContact CA-SG 3.33Å; C56-C71 HydrophobicContact CB-CB 3.63Å; C56-C71 WeakPolarHBondContact CB-SG 3.46Å; C56-C71 WeakPolarHBondContact SG-CB 3.46Å; C56-C71 CovalentContact SG-SG 2.03Å; C56-C71 PolarHBondContact SG-SG 3Å
57	G	83	Confident	85.4	Confident	29 Å²	29	70.3 Å²	70.3	30%	0.299	39%	0.385	S	S	.	.			trans	68.5	-180	-173.3	0	0	0	0	0	113.6	N54 I55 R59 G60	N54-G57 PolarHBondContact O-N 3.38Å; N54-G57 PolarHBondContact OD1-O 2.93Å; I55-G57 VanDerWaalsContact C-N 3.34Å; I55-G57 PolarHBondContact O-N 3.03Å; G57-R59 PolarHBondContact O-N 2.63Å; G57-G60 PolarHBondContact O-N 2.69Å
58	D	81.9	Confident	85.4	Confident	128 Å²	128	70.2 Å²	70.2	68%	0.684	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	132.5	-176.8	-67.2	-17.9	0	0	0	111.3	N54 G60	N54-D58 PolarHBondContact ND2-OD1 3.44Å; D58-G60 PolarHBondContact O-N 2.77Å
59	R	86.2	Confident	85.5	Confident	123 Å²	123	69.9 Å²	69.9	46%	0.464	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	15.5	179.8	-48.9	-74.4	-174.3	161.6	8.7	115	G57 I74 Y77 C93	G57-R59 PolarHBondContact O-N 2.63Å; R59-I74 HydrophobicContact CB-CD1 4.04Å; R59-I74 HydrophobicContact CB-CG1 4.2Å; R59-I74 HydrophobicContact CG-CD1 4.48Å; R59-I74 WeakPolarHBondContact O-CG1 3.44Å; R59-I74 PolarHBondContact O-N 2.03Å; R59-I74 VanDerWaalsContact O-N 3.13Å; R59-Y77 HydrophobicContact CB-CD1 4.01Å; R59-Y77 HydrophobicContact CB-CD2 4.35Å; R59-Y77 HydrophobicContact CB-CE1 4.07Å; R59-Y77 HydrophobicContact CB-CE2 4.43Å; R59-Y77 HydrophobicContact CB-CG 4.17Å; R59-Y77 HydrophobicContact CG-CD1 4.13Å; R59-Y77 HydrophobicContact CG-CE1 3.66Å; R59-Y77 HydrophobicContact CG-CE2 4.27Å; R59-Y77 PolarHBondContact NE-OH 3.21Å; R59-Y77 PolarHBondContact NH2-OH 3.01Å; R59-C93 HydrophobicContact CB-CB 4.29Å
60	G	87.3	Confident	85.6	Confident	21 Å²	21	71.1 Å²	71.1	22%	0.216	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	147.6	169.9	0	0	0	0	0	113.5	G57 D58 T72	G57-G60 PolarHBondContact O-N 2.69Å; D58-G60 PolarHBondContact O-N 2.77Å; G60-T72 CarbonylContact C-O 3.49Å; G60-T72 WeakPolarHBondContact CA-O 3.06Å
61	Q	89.7	Confident	85.9	Confident	110 Å²	110	63.7 Å²	63.7	51%	0.514	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.3	172.7	-177.6	173.7	4.6	0	0	109.8	C71 T72 I74	Q61-C71 WeakPolarHBondContact O-CA 3.04Å; Q61-T72 PolarHBondContact N-O 3.38Å; Q61-T72 PolarHBondContact O-N 3.07Å; Q61-I74 HydrophobicContact CB-CG2 4.38Å
62	C	90.4	Very high	86.3	Confident	34 Å²	34	59.8 Å²	59.8	23%	0.23	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132.7	179.2	-169.2	0	0	0	0	111.3	C49 I55 C56	C49-C62 WeakPolarHBondContact CA-SG 3.41Å; C49-C62 HydrophobicContact CB-CB 3.65Å; C49-C62 WeakPolarHBondContact CB-SG 3.46Å; C49-C62 WeakPolarHBondContact SG-CB 3.39Å; C49-C62 CovalentContact SG-SG 2.03Å; C49-C62 PolarHBondContact SG-SG 3.34Å; I55-C62 HydrophobicContact CG2-CB 4.09Å; I55-C62 VanDerWaalsContact CG2-SG 3.55Å; C56-C62 WeakPolarHBondContact SG-CA 3.27Å; C56-C62 WeakPolarHBondContact SG-CB 3.47Å
63	T	91	Very high	86.7	Confident	46 Å²	46	57.5 Å²	57.5	28%	0.282	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.7	169	-55.6	0	0	0	0	109.6	C49 Y69 Y70	C49-T63 VanDerWaalsContact SG-C 3.56Å; T63-Y69 WeakPolarHBondContact O-CA 3.01Å; T63-Y70 HydrophobicContact CG2-CE1 3.81Å; T63-Y70 HydrophobicContact CG2-CE2 4.37Å; T63-Y70 WeakPolarHBondContact CG2-OH 3.39Å; T63-Y70 PolarHBondContact N-O 2.88Å; T63-Y70 PolarHBondContact O-N 2.86Å
64	N	89.8	Confident	87.3	Confident	47 Å²	47	53.3 Å²	53.3	25%	0.251	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	138.8	177.6	-166.8	60.8	0	0	0	110.6	D45 D46 E48 C49	D45-N64 PolarHBondContact OD2-ND2 2.75Å; D46-N64 PolarHBondContact O-OD1 3.26Å; E48-N64 PolarHBondContact OE2-OD1 3.06Å; E48-N64 VanDerWaalsContact OE2-OD1 3.14Å; C49-N64 PolarHBondContact SG-N 2.71Å; C49-N64 VanDerWaalsContact SG-N 3.38Å
65	T	89.1	Confident	87.7	Confident	52 Å²	52	54 Å²	54	32%	0.319	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	162.1	174.8	52.2	0	0	0	0	109.5	G67 S68 Y70	T65-G67 PolarHBondContact O-N 3.49Å; T65-S68 CarbonylContact C-O 3.48Å; T65-S68 VanDerWaalsContact C-O 3.24Å; T65-S68 VanDerWaalsContact CA-O 3.27Å; T65-S68 WeakPolarHBondContact CA-O 3Å; T65-S68 WeakPolarHBondContact CB-O 3.38Å; T65-S68 PolarHBondContact N-O 2.03Å; T65-S68 PolarHBondContact O-N 3.17Å; T65-S68 VanDerWaalsContact OG1-C 3.25Å; T65-S68 PolarHBondContact OG1-O 3.28Å; T65-Y70 HydrophobicContact CG2-CD1 3.64Å; T65-Y70 HydrophobicContact CG2-CE1 3.48Å; T65-Y70 VanDerWaalsContact CG2-CE1 3.48Å
66	E	87	Confident	87.6	Confident	143 Å²	143	53.6 Å²	53.6	67%	0.668	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	111.3	-179	-157	-160.7	135.5	0	0	110.7	K16 Y35	K16-E66 WeakPolarHBondContact CE-OE1 3.18Å; K16-E66 IonicContact NZ-OE1 3.08Å; K16-E66 PolarHBondContact NZ-OE1 3.49Å; Y35-E66 WeakPolarHBondContact OH-CG 3.46Å; Y35-E66 PolarHBondContact OH-OE1 2.92Å
67	G	84.2	Confident	87.8	Confident	17 Å²	17	54.2 Å²	54.2	18%	0.175	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	7.5	-179.9	0	0	0	0	0	115.6	Y35 D45 T65	Y35-G67 VanDerWaalsContact CZ-CA 3.45Å; Y35-G67 WeakPolarHBondContact OH-CA 3.49Å; Y35-G67 PolarHBondContact OH-N 3.17Å; D45-G67 WeakPolarHBondContact OD1-CA 2.92Å; D45-G67 PolarHBondContact OD1-N 3.17Å; T65-G67 PolarHBondContact O-N 3.49Å
68	S	87.8	Confident	88.1	Confident	40 Å²	40	57.7 Å²	57.7	28%	0.28	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	173.5	-178.5	-174.6	0	0	0	0	111.5	T65 Q86	T65-S68 CarbonylContact C-O 3.48Å; T65-S68 VanDerWaalsContact C-O 3.24Å; T65-S68 VanDerWaalsContact CA-O 3.27Å; T65-S68 WeakPolarHBondContact CA-O 3Å; T65-S68 WeakPolarHBondContact CB-O 3.38Å; T65-S68 PolarHBondContact N-O 2.03Å; T65-S68 PolarHBondContact O-N 3.17Å; T65-S68 VanDerWaalsContact OG1-C 3.25Å; T65-S68 PolarHBondContact OG1-O 3.28Å; S68-Q86 PolarHBondContact OG-NE2 3.33Å
69	Y	89	Confident	88.3	Confident	14 Å²	14	52.7 Å²	52.7	6%	0.055	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	165.2	165.8	66.3	-76.3	0	0	0	111	E48 I55 T63 Q86 P87	E48-Y69 HydrophobicContact CB-CD1 3.75Å; E48-Y69 HydrophobicContact CB-CE1 4.2Å; E48-Y69 HydrophobicContact CB-CG 4.2Å; E48-Y69 HydrophobicContact CG-CD1 3.82Å; E48-Y69 HydrophobicContact CG-CE1 4.21Å; E48-Y69 WeakPolarHBondContact OE2-CD1 3.39Å; I55-Y69 HydrophobicContact CD1-CD1 4.27Å; I55-Y69 HydrophobicContact CD1-CD2 4.22Å; I55-Y69 HydrophobicContact CD1-CE1 3.71Å; I55-Y69 HydrophobicContact CD1-CE2 3.63Å; I55-Y69 HydrophobicContact CG1-CE2 3.81Å; I55-Y69 HydrophobicContact CG2-CE2 4.39Å; T63-Y69 WeakPolarHBondContact O-CA 3.01Å; Y69-Q86 PolarHBondContact O-NE2 3.03Å; Y69-P87 HydrophobicContact CE2-CG 4.38Å
70	Y	89.5	Confident	88.1	Confident	65 Å²	65	51 Å²	51	26%	0.255	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	152.9	165	67.6	-91.8	0	0	0	111.1	T63 T65 T72 Q84	T63-Y70 HydrophobicContact CG2-CE1 3.81Å; T63-Y70 HydrophobicContact CG2-CE2 4.37Å; T63-Y70 WeakPolarHBondContact CG2-OH 3.39Å; T63-Y70 PolarHBondContact N-O 2.88Å; T63-Y70 PolarHBondContact O-N 2.86Å; T65-Y70 HydrophobicContact CG2-CD1 3.64Å; T65-Y70 HydrophobicContact CG2-CE1 3.48Å; T65-Y70 VanDerWaalsContact CG2-CE1 3.48Å; Y70-T72 HydrophobicContact CD2-CG2 3.97Å; Y70-T72 HydrophobicContact CE2-CG2 3.83Å; Y70-Q84 HydrophobicContact CD2-CB 3.92Å; Y70-Q84 HydrophobicContact CD2-CG 3.64Å; Y70-Q84 HydrophobicContact CE2-CG 3.86Å; Y70-Q84 HydrophobicContact CG-CB 4.35Å; Y70-Q84 HydrophobicContact CG-CG 4.42Å
71	C	90.1	Very high	87.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.4	178.2	-60.4	0	0	0	0	110.4	C56 Q61 Q84 F85	C56-C71 WeakPolarHBondContact CA-SG 3.33Å; C56-C71 HydrophobicContact CB-CB 3.63Å; C56-C71 WeakPolarHBondContact CB-SG 3.46Å; C56-C71 WeakPolarHBondContact SG-CB 3.46Å; C56-C71 CovalentContact SG-SG 2.03Å; C56-C71 PolarHBondContact SG-SG 3Å; Q61-C71 WeakPolarHBondContact O-CA 3.04Å; C71-Q84 WeakPolarHBondContact O-CA 3.42Å; C71-F85 HydrophobicContact CB-CD1 4.46Å; C71-F85 HydrophobicContact CB-CD2 4.09Å; C71-F85 HydrophobicContact CB-CE1 4.19Å; C71-F85 HydrophobicContact CB-CE2 3.8Å; C71-F85 HydrophobicContact CB-CG 4.42Å; C71-F85 HydrophobicContact CB-CZ 3.86Å; C71-F85 WeakPolarHBondContact CB-O 3.12Å; C71-F85 PolarHBondContact N-O 2.72Å; C71-F85 WeakPolarHBondContact O-CD1 3.42Å; C71-F85 PolarHBondContact O-N 2.74Å
72	T	90.9	Very high	87.5	Confident	34 Å²	34	53 Å²	53	21%	0.209	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.7	168.8	54.5	0	0	0	0	109.5	G60 Q61 Y70 Q84	G60-T72 CarbonylContact C-O 3.49Å; G60-T72 WeakPolarHBondContact CA-O 3.06Å; Q61-T72 PolarHBondContact N-O 3.38Å; Q61-T72 PolarHBondContact O-N 3.07Å; Y70-T72 HydrophobicContact CD2-CG2 3.97Å; Y70-T72 HydrophobicContact CE2-CG2 3.83Å; T72-Q84 HydrophobicContact CG2-CG 3.99Å
73	C	90.2	Very high	87	Confident	25 Å²	25	55.2 Å²	55.2	17%	0.169	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	143.8	174.1	-63.2	0	0	0	0	111.1	Y77 S79 C93	C73-Y77 WeakPolarHBondContact CB-O 3.37Å; C73-S79 PolarHBondContact SG-N 3.41Å; C73-C93 WeakPolarHBondContact CA-SG 3.04Å; C73-C93 HydrophobicContact CB-CB 3.91Å; C73-C93 WeakPolarHBondContact CB-SG 3.44Å; C73-C93 WeakPolarHBondContact SG-CA 3.22Å; C73-C93 WeakPolarHBondContact SG-CB 3.49Å; C73-C93 CovalentContact SG-SG 2.04Å; C73-C93 PolarHBondContact SG-SG 3.13Å
74	I	88.9	Confident	86.8	Confident	49 Å²	49	58.6 Å²	58.6	25%	0.251	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-64.5	157.5	171.8	68.4	178.9	0	0	0	110.4	R59 Q61 G76 Y77	R59-I74 HydrophobicContact CB-CD1 4.04Å; R59-I74 HydrophobicContact CB-CG1 4.2Å; R59-I74 HydrophobicContact CG-CD1 4.48Å; R59-I74 WeakPolarHBondContact O-CG1 3.44Å; R59-I74 PolarHBondContact O-N 2.03Å; R59-I74 VanDerWaalsContact O-N 3.13Å; Q61-I74 HydrophobicContact CB-CG2 4.38Å; I74-G76 PolarHBondContact O-N 3.34Å; I74-Y77 HydrophobicContact CD1-CD2 4.04Å; I74-Y77 HydrophobicContact CD1-CE2 3.99Å; I74-Y77 HydrophobicContact CG1-CD2 3.54Å; I74-Y77 HydrophobicContact CG1-CE2 4.02Å; I74-Y77 HydrophobicContact CG1-CG 4.35Å; I74-Y77 PolarHBondContact O-N 3.29Å; I74-Y77 VanDerWaalsContact O-N 3.12Å
75	P	87.1	Confident	86.5	Confident	121 Å²	121	56.8 Å²	56.8	79%	0.786	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	137.5	175.8	-26.5	35	0	0	0	112.3
76	G	83.1	Confident	86.2	Confident	19 Å²	19	57.6 Å²	57.6	20%	0.196	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-3.1	-173.2	0	0	0	0	0	114.5	I74 V96	I74-G76 PolarHBondContact O-N 3.34Å; G76-V96 PolarHBondContact O-N 2.86Å
77	Y	88.3	Confident	85.5	Confident	22 Å²	22	52.3 Å²	52.3	9%	0.086	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.7	178.8	-63.6	-102.4	0	0	0	110.9	R59 C73 I74 T94 D95 N115 G116	R59-Y77 HydrophobicContact CB-CD1 4.01Å; R59-Y77 HydrophobicContact CB-CD2 4.35Å; R59-Y77 HydrophobicContact CB-CE1 4.07Å; R59-Y77 HydrophobicContact CB-CE2 4.43Å; R59-Y77 HydrophobicContact CB-CG 4.17Å; R59-Y77 HydrophobicContact CG-CD1 4.13Å; R59-Y77 HydrophobicContact CG-CE1 3.66Å; R59-Y77 HydrophobicContact CG-CE2 4.27Å; R59-Y77 PolarHBondContact NE-OH 3.21Å; R59-Y77 PolarHBondContact NH2-OH 3.01Å; C73-Y77 WeakPolarHBondContact CB-O 3.37Å; I74-Y77 HydrophobicContact CD1-CD2 4.04Å; I74-Y77 HydrophobicContact CD1-CE2 3.99Å; I74-Y77 HydrophobicContact CG1-CD2 3.54Å; I74-Y77 HydrophobicContact CG1-CE2 4.02Å; I74-Y77 HydrophobicContact CG1-CG 4.35Å; I74-Y77 PolarHBondContact O-N 3.29Å; I74-Y77 VanDerWaalsContact O-N 3.12Å; Y77-T94 CarbonylContact C-O 3.24Å; Y77-T94 WeakPolarHBondContact CA-O 3.37Å; Y77-T94 WeakPolarHBondContact CB-O 3.46Å; Y77-D95 HydrophobicContact CE1-CB 4.38Å; Y77-N115 WeakPolarHBondContact CE1-OD1 3.49Å; Y77-N115 PolarHBondContact OH-O 3.09Å; Y77-N115 PolarHBondContact OH-OD1 3.5Å; Y77-G116 PolarHBondContact OH-N 3.48Å
78	K	87.9	Confident	84.8	Confident	102 Å²	102	56.8 Å²	56.8	44%	0.443	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.6	174.3	64.6	-176.1	179.4	-171	0	111.1	T94 V96	K78-T94 PolarHBondContact N-O 3.42Å; K78-T94 PolarHBondContact O-N 2.94Å; K78-T94 PolarHBondContact O-OG1 3.44Å; K78-T94 VanDerWaalsContact O-OG1 3.14Å; K78-V96 HydrophobicContact CB-CG2 3.76Å; K78-V96 HydrophobicContact CD-CG2 4.22Å; K78-V96 HydrophobicContact CG-CG2 3.92Å
79	S	86.3	Confident	83.9	Confident	23 Å²	23	61.1 Å²	61.1	16%	0.161	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142.7	172.3	178.4	0	0	0	0	110	C73 G81 D82 F85 G92	C73-S79 PolarHBondContact SG-N 3.41Å; S79-G81 PolarHBondContact O-N 3.46Å; S79-G81 PolarHBondContact OG-N 3.01Å; S79-G81 VanDerWaalsContact OG-N 3.16Å; S79-D82 WeakPolarHBondContact CB-O 3.49Å; S79-D82 PolarHBondContact OG-O 3.16Å; S79-F85 WeakPolarHBondContact OG-CD1 3.03Å; S79-G92 WeakPolarHBondContact CA-O 3.49Å
80	T	83.3	Confident	83	Confident	87 Å²	87	63.9 Å²	63.9	53%	0.534	38%	0.384	S	S	.	.	S	Bend	trans	-73.2	-10.3	171.1	54.7	0	0	0	0	113.3	G92 T94	T80-G92 PolarHBondContact N-O 3.43Å; T80-G92 PolarHBondContact OG1-N 3.14Å; T80-G92 VanDerWaalsContact OG1-N 3.16Å; T80-G92 PolarHBondContact OG1-O 3.46Å; T80-T94 HydrophobicContact CG2-CG2 3.59Å
81	G	82.4	Confident	82.5	Confident	44 Å²	44	62.1 Å²	62.1	45%	0.454	38%	0.38	S	S	.	.	S	Bend	trans	-132.6	-126.5	176.1	0	0	0	0	0	110.9	S79	S79-G81 PolarHBondContact O-N 3.46Å; S79-G81 PolarHBondContact OG-N 3.01Å; S79-G81 VanDerWaalsContact OG-N 3.16Å
82	D	80.8	Confident	82.2	Confident	128 Å²	128	63.4 Å²	63.4	68%	0.684	39%	0.393	S	S	*	.			trans	-70.5	151	178.7	-70.4	-39	0	0	0	112.5	S79 Q84	S79-D82 WeakPolarHBondContact CB-O 3.49Å; S79-D82 PolarHBondContact OG-O 3.16Å; D82-Q84 WeakPolarHBondContact CB-O 3.33Å; D82-Q84 PolarHBondContact O-N 2.04Å
83	A	79.9	Confident	82.1	Confident	82 Å²	82	63.1 Å²	63.1	68%	0.678	39%	0.392	S	S	*	.	S	Bend	trans	-64	-29.7	-179.6	0	0	0	0	0	112.9
84	Q	87.3	Confident	82	Confident	116 Å²	116	64.8 Å²	64.8	54%	0.542	40%	0.401	S	S	.	.	S	Bend	trans	-112.7	118.7	166.4	-66.7	179.7	-5.1	0	0	106.9	Y70 C71 T72 D82	Y70-Q84 HydrophobicContact CD2-CB 3.92Å; Y70-Q84 HydrophobicContact CD2-CG 3.64Å; Y70-Q84 HydrophobicContact CE2-CG 3.86Å; Y70-Q84 HydrophobicContact CG-CB 4.35Å; Y70-Q84 HydrophobicContact CG-CG 4.42Å; C71-Q84 WeakPolarHBondContact O-CA 3.42Å; T72-Q84 HydrophobicContact CG2-CG 3.99Å; D82-Q84 WeakPolarHBondContact CB-O 3.33Å; D82-Q84 PolarHBondContact O-N 2.04Å
85	F	84.6	Confident	82	Confident	10 Å²	10	64.5 Å²	64.5	4%	0.044	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-134.3	160.3	-173.7	64.7	-88.9	0	0	0	112	C71 S79 T91	C71-F85 HydrophobicContact CB-CD1 4.46Å; C71-F85 HydrophobicContact CB-CD2 4.09Å; C71-F85 HydrophobicContact CB-CE1 4.19Å; C71-F85 HydrophobicContact CB-CE2 3.8Å; C71-F85 HydrophobicContact CB-CG 4.42Å; C71-F85 HydrophobicContact CB-CZ 3.86Å; C71-F85 WeakPolarHBondContact CB-O 3.12Å; C71-F85 PolarHBondContact N-O 2.72Å; C71-F85 WeakPolarHBondContact O-CD1 3.42Å; C71-F85 PolarHBondContact O-N 2.74Å; S79-F85 WeakPolarHBondContact OG-CD1 3.03Å; F85-T91 HydrophobicContact CB-CG2 4.48Å; F85-T91 WeakPolarHBondContact CB-OG1 3.37Å; F85-T91 WeakPolarHBondContact CD2-OG1 3.4Å; F85-T91 WeakPolarHBondContact CE2-O 3.38Å
86	Q	82.7	Confident	82.1	Confident	69 Å²	69	60.8 Å²	60.8	32%	0.322	38%	0.375	S	S	.	.			trans	-106.7	129.3	166.1	-69.1	-176	-8	0	0	108.5	S68 Y69 N88 D89 T91	S68-Q86 PolarHBondContact OG-NE2 3.33Å; Y69-Q86 PolarHBondContact O-NE2 3.03Å; Q86-N88 PolarHBondContact O-N 2.98Å; Q86-D89 PolarHBondContact O-N 2.94Å; Q86-T91 PolarHBondContact O-OG1 2.85Å
87	P	70.9	Confident	82.3	Confident	32 Å²	32	62.7 Å²	62.7	21%	0.208	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-64.2	-18.6	-171.8	10.2	-12.5	0	0	0	113.5	I55 Y69 D89 G90	I55-P87 WeakPolarHBondContact O-CG 3.39Å; Y69-P87 HydrophobicContact CE2-CG 4.38Å; P87-D89 PolarHBondContact O-N 3.2Å; P87-D89 VanDerWaalsContact O-N 3.14Å; P87-G90 PolarHBondContact O-N 3.16Å
88	N	70.3	Confident	82.3	Confident	111 Å²	111	63.5 Å²	63.5	59%	0.594	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-65.2	-15.4	-178.8	-49.7	-18.1	0	0	0	112.6	Q86	Q86-N88 PolarHBondContact O-N 2.98Å
89	D	68.3	Low	82.3	Confident	131 Å²	131	60.3 Å²	60.3	70%	0.701	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-93.1	5	-179.9	-63.9	-23.3	0	0	0	113.5	Q86 P87 T91	Q86-D89 PolarHBondContact O-N 2.94Å; P87-D89 PolarHBondContact O-N 3.2Å; P87-D89 VanDerWaalsContact O-N 3.14Å; D89-T91 VanDerWaalsContact C-N 3.3Å; D89-T91 PolarHBondContact O-N 2.78Å
90	G	70.6	Confident	82.3	Confident	72 Å²	72	66.5 Å²	66.5	74%	0.742	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	7.3	-179.3	0	0	0	0	0	114.6	P87	P87-G90 PolarHBondContact O-N 3.16Å
91	T	79.4	Confident	82.1	Confident	28 Å²	28	65.1 Å²	65.1	17%	0.172	40%	0.396	C	S	.	.			trans	-79.4	138.3	172.6	47.4	0	0	0	0	111.6	F85 Q86 D89	F85-T91 HydrophobicContact CB-CG2 4.48Å; F85-T91 WeakPolarHBondContact CB-OG1 3.37Å; F85-T91 WeakPolarHBondContact CD2-OG1 3.4Å; F85-T91 WeakPolarHBondContact CE2-O 3.38Å; Q86-T91 PolarHBondContact O-OG1 2.85Å; D89-T91 VanDerWaalsContact C-N 3.3Å; D89-T91 PolarHBondContact O-N 2.78Å
92	G	83.1	Confident	81.4	Confident	27 Å²	27	72.4 Å²	72.4	28%	0.278	42%	0.418	S	S	.	.			trans	-147.9	177.3	178.4	0	0	0	0	0	112.9	S79 T80	S79-G92 WeakPolarHBondContact CA-O 3.49Å; T80-G92 PolarHBondContact N-O 3.43Å; T80-G92 PolarHBondContact OG1-N 3.14Å; T80-G92 VanDerWaalsContact OG1-N 3.16Å; T80-G92 PolarHBondContact OG1-O 3.46Å
93	C	88	Confident	81.2	Confident	27 Å²	27	73.5 Å²	73.5	18%	0.182	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.5	-179.4	-65	0	0	0	0	111.3	R59 C73	R59-C93 HydrophobicContact CB-CB 4.29Å; C73-C93 WeakPolarHBondContact CA-SG 3.04Å; C73-C93 HydrophobicContact CB-CB 3.91Å; C73-C93 WeakPolarHBondContact CB-SG 3.44Å; C73-C93 WeakPolarHBondContact SG-CA 3.22Å; C73-C93 WeakPolarHBondContact SG-CB 3.49Å; C73-C93 CovalentContact SG-SG 2.04Å; C73-C93 PolarHBondContact SG-SG 3.13Å
94	T	88.1	Confident	81.5	Confident	60 Å²	60	71.7 Å²	71.7	37%	0.368	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147	175.7	53	0	0	0	0	110	Y77 K78 T80	Y77-T94 CarbonylContact C-O 3.24Å; Y77-T94 WeakPolarHBondContact CA-O 3.37Å; Y77-T94 WeakPolarHBondContact CB-O 3.46Å; K78-T94 PolarHBondContact N-O 3.42Å; K78-T94 PolarHBondContact O-N 2.94Å; K78-T94 PolarHBondContact O-OG1 3.44Å; K78-T94 VanDerWaalsContact O-OG1 3.14Å; T80-T94 HydrophobicContact CG2-CG2 3.59Å
95	D	89.7	Confident	81.4	Confident	43 Å²	43	66.7 Å²	66.7	23%	0.23	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	136.9	177.3	-173.3	54.5	0	0	0	111.1	Y77 N113 G116	Y77-D95 HydrophobicContact CE1-CB 4.38Å; D95-N113 PolarHBondContact OD2-ND2 3.02Å; D95-G116 WeakPolarHBondContact OD1-CA 3.47Å; D95-G116 PolarHBondContact OD1-N 2.89Å
96	V	88.3	Confident	81.4	Confident	43 Å²	43	67.7 Å²	67.7	26%	0.261	40%	0.395	S	S	.	.			trans	-84.7	113.7	171.9	179.6	0	0	0	0	107.4	G76 K78 E98	G76-V96 PolarHBondContact O-N 2.86Å; K78-V96 HydrophobicContact CB-CG2 3.76Å; K78-V96 HydrophobicContact CD-CG2 4.22Å; K78-V96 HydrophobicContact CG-CG2 3.92Å; V96-E98 HydrophobicContact CG1-CG 4.2Å; V96-E98 PolarHBondContact O-N 3.12Å
97	D	87.8	Confident	81.5	Confident	60 Å²	60	69.6 Å²	69.6	32%	0.321	41%	0.413	S	S	.	.			trans	-74.9	93.4	171	-166.9	-25.8	0	0	0	109.9	C99 E100 N113	D97-C99 PolarHBondContact O-N 3.42Å; D97-C99 WeakPolarHBondContact OD1-CA 3.44Å; D97-C99 VanDerWaalsContact OD1-CB 3.25Å; D97-C99 WeakPolarHBondContact OD1-CB 3.39Å; D97-C99 PolarHBondContact OD1-N 2.67Å; D97-E100 HydrophobicContact CB-CG 4.04Å; D97-E100 PolarHBondContact O-N 2.65Å; D97-E100 PolarHBondContact OD1-N 3.37Å; D97-N113 WeakPolarHBondContact OD1-CB 3.25Å
98	E	89.4	Confident	82.2	Confident	39 Å²	39	71.3 Å²	71.3	18%	0.182	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-67.4	-13.9	178.4	-59.7	97	163.3	0	0	112.7	V96 V104 N113 F118	V96-E98 HydrophobicContact CG1-CG 4.2Å; V96-E98 PolarHBondContact O-N 3.12Å; E98-V104 WeakPolarHBondContact O-CG2 3.48Å; E98-N113 PolarHBondContact OE2-OD1 2.89Å; E98-F118 HydrophobicContact CB-CB 4.25Å; E98-F118 HydrophobicContact CB-CD1 3.45Å; E98-F118 VanDerWaalsContact CB-CD1 3.45Å; E98-F118 HydrophobicContact CB-CE1 3.88Å; E98-F118 HydrophobicContact CB-CG 3.8Å; E98-F118 VanDerWaalsContact CD-CD1 3.42Å; E98-F118 HydrophobicContact CG-CD1 3.52Å; E98-F118 HydrophobicContact CG-CE1 3.87Å; E98-F118 HydrophobicContact CG-CG 4.33Å; E98-F118 WeakPolarHBondContact OE2-CB 3.34Å; E98-F118 WeakPolarHBondContact OE2-CD1 3.45Å
99	C	87.9	Confident	83	Confident	34 Å²	34	67 Å²	67	23%	0.23	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-84.5	-5.7	178.7	-57.9	0	0	0	0	114	D97 S101 C111 H112 N113	D97-C99 PolarHBondContact O-N 3.42Å; D97-C99 WeakPolarHBondContact OD1-CA 3.44Å; D97-C99 VanDerWaalsContact OD1-CB 3.25Å; D97-C99 WeakPolarHBondContact OD1-CB 3.39Å; D97-C99 PolarHBondContact OD1-N 2.67Å; C99-S101 PolarHBondContact O-N 3.07Å; C99-C111 WeakPolarHBondContact CA-SG 3.47Å; C99-C111 HydrophobicContact CB-CB 3.64Å; C99-C111 WeakPolarHBondContact CB-SG 3.13Å; C99-C111 WeakPolarHBondContact SG-CB 3.2Å; C99-C111 CovalentContact SG-SG 2.04Å; C99-C111 PolarHBondContact SG-SG 3.42Å; C99-H112 PolarHBondContact SG-N 3.06Å; C99-N113 HydrophobicContact CB-CB 4.4Å; C99-N113 PolarHBondContact SG-N 2.92Å
100	E	85.9	Confident	83.9	Confident	153 Å²	153	66.9 Å²	66.9	72%	0.715	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-62.8	-20.2	166.9	-74.5	-174.2	161.4	0	0	112.1	D97	D97-E100 HydrophobicContact CB-CG 4.04Å; D97-E100 PolarHBondContact O-N 2.65Å; D97-E100 PolarHBondContact OD1-N 3.37Å
101	S	79.5	Confident	84.8	Confident	59 Å²	59	65 Å²	65	41%	0.413	36%	0.364	S	S	.	.	S	Bend	trans	-100	110.3	174.8	178.6	0	0	0	0	111.1	C99 L103 V104	C99-S101 PolarHBondContact O-N 3.07Å; S101-L103 PolarHBondContact O-N 2.86Å; S101-V104 PolarHBondContact O-N 3.08Å
102	E	66.6	Low	85.1	Confident	196 Å²	196	66.2 Å²	66.2	92%	0.916	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-18	-178.3	-67.5	-172.4	164	0	0	114.3
103	L	77.4	Confident	85.3	Confident	152 Å²	152	67.4 Å²	67.4	80%	0.796	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-7.2	-173.4	-74.9	158.1	0	0	0	114.3	S101 C105	S101-L103 PolarHBondContact O-N 2.86Å; L103-C105 PolarHBondContact O-N 3.06Å
104	V	85.6	Confident	85.2	Confident	44 Å²	44	68.8 Å²	68.8	27%	0.267	38%	0.375	S	S	.	.	S	Bend	trans	-68.8	-38.3	-168.3	168.6	0	0	0	0	113.1	E98 S101 F118 P137	E98-V104 WeakPolarHBondContact O-CG2 3.48Å; S101-V104 PolarHBondContact O-N 3.08Å; V104-F118 HydrophobicContact CG1-CD2 3.86Å; V104-F118 HydrophobicContact CG1-CE1 4.15Å; V104-F118 HydrophobicContact CG1-CE2 3.1Å; V104-F118 HydrophobicContact CG1-CZ 3.26Å; V104-P137 HydrophobicContact CG1-CG 4.32Å; V104-P137 WeakPolarHBondContact O-CB 3.24Å; V104-P137 WeakPolarHBondContact O-CG 3.32Å
105	C	85.4	Confident	85	Confident	11 Å²	11	71.3 Å²	71.3	7%	0.074	39%	0.386	C	S	.	.	S	Bend	trans	-93	-9.6	-178.8	-68.9	0	0	0	0	114.6	L103 S109 C111 C120	L103-C105 PolarHBondContact O-N 3.06Å; C105-S109 WeakPolarHBondContact CB-OG 3.4Å; C105-S109 PolarHBondContact O-OG 2.99Å; C105-C111 VanDerWaalsContact SG-CA 3.52Å; C105-C111 WeakPolarHBondContact SG-CB 3.46Å; C105-C120 WeakPolarHBondContact CA-SG 3.13Å; C105-C120 HydrophobicContact CB-CB 3.55Å; C105-C120 WeakPolarHBondContact CB-SG 3.35Å; C105-C120 VanDerWaalsContact SG-CA 3.59Å; C105-C120 WeakPolarHBondContact SG-CB 3.43Å; C105-C120 CovalentContact SG-SG 2.01Å; C105-C120 PolarHBondContact SG-SG 2.84Å
106	G	85.1	Confident	84.8	Confident	31 Å²	31	70.2 Å²	70.2	32%	0.32	39%	0.386	S	S	.	.			trans	79	177	-174.8	0	0	0	0	0	113.7	S109	G106-S109 PolarHBondContact O-OG 3.17Å
107	P	84.2	Confident	84.8	Confident	109 Å²	109	70.3 Å²	70.3	71%	0.708	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	151.1	-175.9	28.4	-35.2	0	0	0	112.2	S109	P107-S109 VanDerWaalsContact C-N 3.27Å; P107-S109 PolarHBondContact O-N 2.99Å
108	N	86	Confident	84.8	Confident	67 Å²	67	68.4 Å²	68.4	36%	0.358	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	36.3	179.4	-50.9	-50.7	0	0	0	113.7	N123 Y126 C143	N108-N123 VanDerWaalsContact C-CG 3.42Å; N108-N123 PolarHBondContact O-N 3.27Å; N108-Y126 HydrophobicContact CB-CD1 3.75Å; N108-Y126 HydrophobicContact CB-CD2 3.88Å; N108-Y126 HydrophobicContact CB-CE1 3.82Å; N108-Y126 HydrophobicContact CB-CE2 3.93Å; N108-Y126 HydrophobicContact CB-CG 3.82Å; N108-Y126 VanDerWaalsContact ND2-CE1 3.31Å; N108-Y126 WeakPolarHBondContact ND2-CE1 3.23Å; N108-C143 HydrophobicContact CB-CB 4.48Å; N108-C143 WeakPolarHBondContact O-CB 3.47Å; N108-C143 PolarHBondContact O-SG 3.07Å
109	S	87.1	Confident	84.7	Confident	21 Å²	21	69.9 Å²	69.9	15%	0.147	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	159	177.3	72.5	0	0	0	0	110.9	C105 G106 P107 S121 N123	C105-S109 WeakPolarHBondContact CB-OG 3.4Å; C105-S109 PolarHBondContact O-OG 2.99Å; G106-S109 PolarHBondContact O-OG 3.17Å; P107-S109 VanDerWaalsContact C-N 3.27Å; P107-S109 PolarHBondContact O-N 2.99Å; S109-S121 CarbonylContact C-O 3.49Å; S109-S121 WeakPolarHBondContact CA-O 3.39Å; S109-S121 WeakPolarHBondContact CB-O 3.5Å; S109-N123 WeakPolarHBondContact CA-OD1 3.45Å; S109-N123 PolarHBondContact N-OD1 2.79Å
110	R	86.3	Confident	84.8	Confident	128 Å²	128	68.3 Å²	68.3	48%	0.483	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.3	178.4	-167	170.4	-177.7	174.2	-1.8	109.3	C120 S121 N123 E189	R110-C120 WeakPolarHBondContact O-CA 3.38Å; R110-S121 PolarHBondContact N-O 2.87Å; R110-S121 PolarHBondContact O-N 3.23Å; R110-N123 PolarHBondContact N-OD1 2.66Å; R110-E189 IonicContact NH1-OE1 3.02Å
111	C	88.9	Confident	84.8	Confident	32 Å²	32	61.7 Å²	61.7	22%	0.216	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.1	177.7	-171.2	0	0	0	0	110.3	C99 C105	C99-C111 WeakPolarHBondContact CA-SG 3.47Å; C99-C111 HydrophobicContact CB-CB 3.64Å; C99-C111 WeakPolarHBondContact CB-SG 3.13Å; C99-C111 WeakPolarHBondContact SG-CB 3.2Å; C99-C111 CovalentContact SG-SG 2.04Å; C99-C111 PolarHBondContact SG-SG 3.42Å; C105-C111 VanDerWaalsContact SG-CA 3.52Å; C105-C111 WeakPolarHBondContact SG-CB 3.46Å
112	H	86.4	Confident	85.1	Confident	55 Å²	55	59.8 Å²	59.8	26%	0.255	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.1	174.3	-58	-92.4	0	0	0	109.1	C99 F118 Y119 S121	C99-H112 PolarHBondContact SG-N 3.06Å; H112-F118 WeakPolarHBondContact O-CA 3.39Å; H112-F118 WeakPolarHBondContact O-CB 3.47Å; H112-Y119 HydrophobicContact CB-CD1 4.08Å; H112-Y119 HydrophobicContact CB-CD2 4.1Å; H112-Y119 HydrophobicContact CB-CE1 3.62Å; H112-Y119 HydrophobicContact CB-CE2 3.64Å; H112-Y119 HydrophobicContact CB-CG 4.31Å; H112-Y119 AromaticContact CD2-CD2 3.93Å; H112-Y119 AromaticContact CD2-CE2 3.42Å; H112-Y119 VanDerWaalsContact CD2-CE2 3.42Å; H112-Y119 WeakPolarHBondContact CD2-CE2 3.28Å; H112-Y119 AromaticContact CD2-CZ 3.99Å; H112-Y119 AromaticContact CG-CE2 3.58Å; H112-Y119 AromaticContact CG-CZ 3.65Å; H112-Y119 PolarHBondContact N-O 2.86Å; H112-Y119 PolarHBondContact O-N 3.23Å; H112-S121 PolarHBondContact NE2-OG 3.47Å
113	N	87	Confident	85.9	Confident	52 Å²	52	53 Å²	53	28%	0.278	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	141.6	178.6	-173	33.2	0	0	0	110.4	D95 D97 E98 C99 S117	D95-N113 PolarHBondContact OD2-ND2 3.02Å; D97-N113 WeakPolarHBondContact OD1-CB 3.25Å; E98-N113 PolarHBondContact OE2-OD1 2.89Å; C99-N113 HydrophobicContact CB-CB 4.4Å; C99-N113 PolarHBondContact SG-N 2.92Å; N113-S117 PolarHBondContact OD1-O 2.83Å
114	T	85.9	Confident	85.8	Confident	55 Å²	55	47.6 Å²	47.6	34%	0.337	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.5	177.3	61.8	0	0	0	0	109.8	G116 S117 Y119	T114-G116 PolarHBondContact O-N 2.92Å; T114-S117 CarbonylContact C-O 3.58Å; T114-S117 VanDerWaalsContact C-O 3.27Å; T114-S117 VanDerWaalsContact CA-O 3.28Å; T114-S117 WeakPolarHBondContact CA-O 3.38Å; T114-S117 WeakPolarHBondContact CB-O 3.37Å; T114-S117 PolarHBondContact N-O 3.06Å; T114-S117 CarbonylContact O-C 3.53Å; T114-S117 PolarHBondContact O-N 2.79Å; T114-S117 PolarHBondContact OG1-O 2.8Å; T114-Y119 HydrophobicContact CG2-CD1 3.74Å; T114-Y119 HydrophobicContact CG2-CE1 3.65Å
115	N	84.9	Confident	85.3	Confident	113 Å²	113	47.1 Å²	47.1	60%	0.604	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	103.7	-175.7	-167.8	20.4	0	0	0	112.4	Y77	Y77-N115 WeakPolarHBondContact CE1-OD1 3.49Å; Y77-N115 PolarHBondContact OH-O 3.09Å; Y77-N115 PolarHBondContact OH-OD1 3.5Å
116	G	84.2	Confident	85	Confident	21 Å²	21	49.5 Å²	49.5	22%	0.216	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	7.1	-177.3	0	0	0	0	0	115.9	Y77 D95 T114	Y77-G116 PolarHBondContact OH-N 3.48Å; D95-G116 WeakPolarHBondContact OD1-CA 3.47Å; D95-G116 PolarHBondContact OD1-N 2.89Å; T114-G116 PolarHBondContact O-N 2.92Å
117	S	88.4	Confident	84.8	Confident	45 Å²	45	50.5 Å²	50.5	32%	0.315	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	-176.5	179.8	-162.6	0	0	0	0	111.6	N113 T114	N113-S117 PolarHBondContact OD1-O 2.83Å; T114-S117 CarbonylContact C-O 3.58Å; T114-S117 VanDerWaalsContact C-O 3.27Å; T114-S117 VanDerWaalsContact CA-O 3.28Å; T114-S117 WeakPolarHBondContact CA-O 3.38Å; T114-S117 WeakPolarHBondContact CB-O 3.37Å; T114-S117 PolarHBondContact N-O 3.06Å; T114-S117 CarbonylContact O-C 3.53Å; T114-S117 PolarHBondContact O-N 2.79Å; T114-S117 PolarHBondContact OG1-O 2.8Å
118	F	88.5	Confident	84.8	Confident	20 Å²	20	45.6 Å²	45.6	9%	0.088	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	165.7	171.8	68.1	-77.6	0	0	0	110.4	E98 V104 H112 H136 P137	E98-F118 HydrophobicContact CB-CB 4.25Å; E98-F118 HydrophobicContact CB-CD1 3.45Å; E98-F118 VanDerWaalsContact CB-CD1 3.45Å; E98-F118 HydrophobicContact CB-CE1 3.88Å; E98-F118 HydrophobicContact CB-CG 3.8Å; E98-F118 VanDerWaalsContact CD-CD1 3.42Å; E98-F118 HydrophobicContact CG-CD1 3.52Å; E98-F118 HydrophobicContact CG-CE1 3.87Å; E98-F118 HydrophobicContact CG-CG 4.33Å; E98-F118 WeakPolarHBondContact OE2-CB 3.34Å; E98-F118 WeakPolarHBondContact OE2-CD1 3.45Å; V104-F118 HydrophobicContact CG1-CD2 3.86Å; V104-F118 HydrophobicContact CG1-CE1 4.15Å; V104-F118 HydrophobicContact CG1-CE2 3.1Å; V104-F118 HydrophobicContact CG1-CZ 3.26Å; H112-F118 WeakPolarHBondContact O-CA 3.39Å; H112-F118 WeakPolarHBondContact O-CB 3.47Å; F118-H136 AromaticContact CD1-NE2 4Å; F118-H136 AromaticContact CE1-CE1 3.77Å; F118-H136 AromaticContact CE1-NE2 3.57Å; F118-H136 AromaticContact CZ-CE1 3.79Å; F118-H136 AromaticContact CZ-NE2 3.9Å; F118-H136 PolarHBondContact O-CD2 3.01Å; F118-P137 HydrophobicContact CE2-CG 3.41Å; F118-P137 VanDerWaalsContact CE2-CG 3.41Å; F118-P137 HydrophobicContact CZ-CG 3.52Å
119	Y	87.6	Confident	84.6	Confident	70 Å²	70	46.1 Å²	46.1	28%	0.275	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.5	169.7	67.6	-89.6	0	0	0	111.3	H112 T114 H134	H112-Y119 HydrophobicContact CB-CD1 4.08Å; H112-Y119 HydrophobicContact CB-CD2 4.1Å; H112-Y119 HydrophobicContact CB-CE1 3.62Å; H112-Y119 HydrophobicContact CB-CE2 3.64Å; H112-Y119 HydrophobicContact CB-CG 4.31Å; H112-Y119 AromaticContact CD2-CD2 3.93Å; H112-Y119 AromaticContact CD2-CE2 3.42Å; H112-Y119 VanDerWaalsContact CD2-CE2 3.42Å; H112-Y119 WeakPolarHBondContact CD2-CE2 3.28Å; H112-Y119 AromaticContact CD2-CZ 3.99Å; H112-Y119 AromaticContact CG-CE2 3.58Å; H112-Y119 AromaticContact CG-CZ 3.65Å; H112-Y119 PolarHBondContact N-O 2.86Å; H112-Y119 PolarHBondContact O-N 3.23Å; T114-Y119 HydrophobicContact CG2-CD1 3.74Å; T114-Y119 HydrophobicContact CG2-CE1 3.65Å; Y119-H134 HydrophobicContact CD2-CB 3.78Å; Y119-H134 AromaticContact CD2-CD2 3.67Å; Y119-H134 AromaticContact CD2-CG 3.65Å; Y119-H134 HydrophobicContact CE2-CB 4.36Å; Y119-H134 AromaticContact CE2-CD2 3.47Å; Y119-H134 VanDerWaalsContact CE2-CD2 3.47Å; Y119-H134 WeakPolarHBondContact CE2-CD2 3.47Å; Y119-H134 AromaticContact CE2-CE1 3.99Å; Y119-H134 AromaticContact CE2-CG 3.73Å; Y119-H134 AromaticContact CE2-NE2 3.69Å; Y119-H134 HydrophobicContact CG-CB 4.31Å
120	C	89.3	Confident	84.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.7	178.1	-53.8	0	0	0	0	109.9	C105 R110 H134 F135 P137	C105-C120 WeakPolarHBondContact CA-SG 3.13Å; C105-C120 HydrophobicContact CB-CB 3.55Å; C105-C120 WeakPolarHBondContact CB-SG 3.35Å; C105-C120 VanDerWaalsContact SG-CA 3.59Å; C105-C120 WeakPolarHBondContact SG-CB 3.43Å; C105-C120 CovalentContact SG-SG 2.01Å; C105-C120 PolarHBondContact SG-SG 2.84Å; R110-C120 WeakPolarHBondContact O-CA 3.38Å; C120-H134 WeakPolarHBondContact O-CA 3.27Å; C120-F135 HydrophobicContact CB-CD2 4.04Å; C120-F135 HydrophobicContact CB-CE1 4.11Å; C120-F135 HydrophobicContact CB-CE2 3.6Å; C120-F135 HydrophobicContact CB-CG 4.49Å; C120-F135 HydrophobicContact CB-CZ 3.63Å; C120-F135 WeakPolarHBondContact CB-O 3.39Å; C120-F135 PolarHBondContact N-O 3Å; C120-F135 WeakPolarHBondContact O-CD1 3.43Å; C120-F135 PolarHBondContact O-N 3.46Å; C120-P137 VanDerWaalsContact SG-CD 3.59Å
121	S	86.8	Confident	83.5	Confident	14 Å²	14	44.8 Å²	44.8	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.6	168	60.6	0	0	0	0	109.4	S109 R110 H112	S109-S121 CarbonylContact C-O 3.49Å; S109-S121 WeakPolarHBondContact CA-O 3.39Å; S109-S121 WeakPolarHBondContact CB-O 3.5Å; R110-S121 PolarHBondContact N-O 2.87Å; R110-S121 PolarHBondContact O-N 3.23Å; H112-S121 PolarHBondContact NE2-OG 3.47Å
122	C	86.6	Confident	82.9	Confident	20 Å²	20	47.7 Å²	47.7	14%	0.135	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	145.7	173.5	-65.2	0	0	0	0	111.2	Y126 I127 S128 C143	C122-Y126 WeakPolarHBondContact CB-O 3.19Å; C122-I127 VanDerWaalsContact SG-C 3.52Å; C122-S128 PolarHBondContact SG-N 3.29Å; C122-S128 VanDerWaalsContact SG-N 3.38Å; C122-C143 WeakPolarHBondContact CA-SG 3.35Å; C122-C143 HydrophobicContact CB-CB 3.88Å; C122-C143 WeakPolarHBondContact CB-SG 3.43Å; C122-C143 WeakPolarHBondContact SG-CA 3.32Å; C122-C143 WeakPolarHBondContact SG-CB 3.34Å; C122-C143 CovalentContact SG-SG 2.04Å; C122-C143 PolarHBondContact SG-SG 3.17Å
123	N	81.9	Confident	82.3	Confident	52 Å²	52	48 Å²	48	28%	0.278	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-66.6	161.8	171.2	-64.2	-1.3	0	0	0	109.9	N108 S109 R110 D125 Y126 E189	N108-N123 VanDerWaalsContact C-CG 3.42Å; N108-N123 PolarHBondContact O-N 3.27Å; S109-N123 WeakPolarHBondContact CA-OD1 3.45Å; S109-N123 PolarHBondContact N-OD1 2.79Å; R110-N123 PolarHBondContact N-OD1 2.66Å; N123-D125 PolarHBondContact O-N 2.84Å; N123-Y126 WeakPolarHBondContact O-CB 3.07Å; N123-Y126 PolarHBondContact O-N 3.47Å; N123-E189 WeakPolarHBondContact CA-OE2 3.25Å
124	R	75.5	Confident	82.2	Confident	39 Å²	39	49.7 Å²	49.7	15%	0.147	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	137.1	177.8	-168.6	176.5	-80.4	135.6	-9.1	111.2	Y126 E189 L190 D241 E242 V244	R124-Y126 VanDerWaalsContact C-N 3.26Å; R124-Y126 WeakPolarHBondContact O-CD2 3.42Å; R124-Y126 PolarHBondContact O-N 2.99Å; R124-E189 PolarHBondContact N-OE2 3.25Å; R124-L190 PolarHBondContact NE-O 3.32Å; R124-D241 PolarHBondContact NH2-O 3.33Å; R124-E242 IonicContact CZ-OE2 2.64Å; R124-E242 IonicContact NH2-OE1 3.53Å; R124-E242 IonicContact NH2-OE2 3.42Å; R124-E242 PolarHBondContact NH2-OE2 3.04Å; R124-V244 VanDerWaalsContact NH1-CB 3.27Å
125	D	75	Confident	82.1	Confident	34 Å²	34	47.5 Å²	47.5	18%	0.182	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	9.5	-175.8	-45.7	-46.6	0	0	0	115.5	N123 H146 R149 R248	N123-D125 PolarHBondContact O-N 2.84Å; D125-H146 WeakPolarHBondContact O-CB 3.15Å; D125-H146 PolarHBondContact O-N 2.57Å; D125-R149 HydrophobicContact CB-CB 4.36Å; D125-R248 IonicContact OD1-NH1 3.79Å; D125-R248 PolarHBondContact OD1-NH1 3.03Å; D125-R248 IonicContact OD2-CZ 3.88Å; D125-R248 IonicContact OD2-NH1 2.78Å; D125-R248 PolarHBondContact OD2-NH1 3.33Å; D125-R248 IonicContact OD2-NH2 3.95Å; D125-R248 PolarHBondContact OD2-NH2 2.64Å
126	Y	79.6	Confident	82.2	Confident	62 Å²	62	44.9 Å²	44.9	24%	0.243	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.2	170.7	-66.1	-101.4	0	0	0	111.2	N108 C122 N123 R124 C143 K144 E145	N108-Y126 HydrophobicContact CB-CD1 3.75Å; N108-Y126 HydrophobicContact CB-CD2 3.88Å; N108-Y126 HydrophobicContact CB-CE1 3.82Å; N108-Y126 HydrophobicContact CB-CE2 3.93Å; N108-Y126 HydrophobicContact CB-CG 3.82Å; N108-Y126 VanDerWaalsContact ND2-CE1 3.31Å; N108-Y126 WeakPolarHBondContact ND2-CE1 3.23Å; C122-Y126 WeakPolarHBondContact CB-O 3.19Å; N123-Y126 WeakPolarHBondContact O-CB 3.07Å; N123-Y126 PolarHBondContact O-N 3.47Å; R124-Y126 VanDerWaalsContact C-N 3.26Å; R124-Y126 WeakPolarHBondContact O-CD2 3.42Å; R124-Y126 PolarHBondContact O-N 2.99Å; Y126-C143 HydrophobicContact CD1-CB 4.48Å; Y126-K144 CarbonylContact C-O 3.55Å; Y126-K144 VanDerWaalsContact CA-O 3.22Å; Y126-K144 WeakPolarHBondContact CA-O 3.35Å; Y126-K144 WeakPolarHBondContact CB-O 3.21Å; Y126-K144 VanDerWaalsContact CD1-C 3.46Å; Y126-E145 HydrophobicContact CD1-CG 4.12Å; Y126-E145 HydrophobicContact CE1-CB 4.37Å; Y126-E145 HydrophobicContact CE1-CG 3.46Å; Y126-E145 VanDerWaalsContact CE1-CG 3.46Å
127	I	80.6	Confident	82	Confident	51 Å²	51	45.4 Å²	45.4	26%	0.262	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.9	175.3	59.2	174.2	0	0	0	110.8	C122 K144 H146 P147	C122-I127 VanDerWaalsContact SG-C 3.52Å; I127-K144 HydrophobicContact CG1-CD 4.46Å; I127-K144 HydrophobicContact CG1-CG 3.83Å; I127-K144 PolarHBondContact N-O 2.91Å; I127-K144 WeakPolarHBondContact O-CG 3.41Å; I127-K144 PolarHBondContact O-N 3.07Å; I127-H146 HydrophobicContact CG2-CB 4.16Å; I127-H146 WeakPolarHBondContact CG2-CD2 3.32Å; I127-P147 HydrophobicContact CD1-CG 4.49Å
128	S	84.2	Confident	81.6	Confident	7 Å²	7	47.4 Å²	47.4	5%	0.049	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	140.1	171.4	175.2	0	0	0	0	110.1	C122 S130 G131 D132 R142	C122-S128 PolarHBondContact SG-N 3.29Å; C122-S128 VanDerWaalsContact SG-N 3.38Å; S128-S130 PolarHBondContact O-N 3.31Å; S128-S130 PolarHBondContact OG-N 2.99Å; S128-S130 PolarHBondContact OG-OG 3.49Å; S128-G131 PolarHBondContact O-N 2.65Å; S128-D132 WeakPolarHBondContact CB-O 3.49Å; S128-R142 CarbonylContact C-O 3.55Å; S128-R142 WeakPolarHBondContact CA-O 3.33Å
129	T	82.6	Confident	81.3	Confident	77 Å²	77	55.1 Å²	55.1	47%	0.472	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.4	168.7	49.6	0	0	0	0	112.8	A141 R142 K144	T129-A141 WeakPolarHBondContact OG1-CA 3.49Å; T129-R142 WeakPolarHBondContact CG2-O 3.41Å; T129-R142 PolarHBondContact N-O 2.84Å; T129-R142 PolarHBondContact OG1-N 3.29Å; T129-R142 PolarHBondContact OG1-O 2.89Å; T129-K144 HydrophobicContact CG2-CD 4.19Å; T129-K144 HydrophobicContact CG2-CG 4.37Å
130	S	78.9	Confident	80.9	Confident	59 Å²	59	54.3 Å²	54.3	41%	0.413	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.5	173.9	74	0	0	0	0	113.6	S128 D132	S128-S130 PolarHBondContact O-N 3.31Å; S128-S130 PolarHBondContact OG-N 2.99Å; S128-S130 PolarHBondContact OG-OG 3.49Å; S130-D132 VanDerWaalsContact C-N 3.27Å; S130-D132 WeakPolarHBondContact CB-OD2 3.48Å; S130-D132 PolarHBondContact OG-N 3.07Å; S130-D132 PolarHBondContact OG-OD2 2.98Å
131	G	71.3	Confident	80.7	Confident	63 Å²	63	54.8 Å²	54.8	65%	0.649	32%	0.321	S	S	*	.	S	Bend	trans	82.7	-6.2	-173.4	0	0	0	0	0	114.9	S128	S128-G131 PolarHBondContact O-N 2.65Å
132	D	75.7	Confident	80.6	Confident	92 Å²	92	63.1 Å²	63.1	49%	0.492	35%	0.351	S	S	.	.			trans	-81.4	137.9	176.6	-54.6	-59	0	0	0	111.4	S128 S130 H134	S128-D132 WeakPolarHBondContact CB-O 3.49Å; S130-D132 VanDerWaalsContact C-N 3.27Å; S130-D132 WeakPolarHBondContact CB-OD2 3.48Å; S130-D132 PolarHBondContact OG-N 3.07Å; S130-D132 PolarHBondContact OG-OD2 2.98Å; D132-H134 VanDerWaalsContact C-N 3.35Å; D132-H134 WeakPolarHBondContact CB-O 3.41Å
133	K	74	Confident	80.6	Confident	63 Å²	63	63.2 Å²	63.2	27%	0.274	35%	0.352	S	S	.	.	S	Bend	trans	-66.8	-37.5	174.1	-77.1	-162.3	174.3	-158.2	0	112.2	R185 E194 Y198	K133-R185 PolarHBondContact NZ-O 3.44Å; K133-E194 WeakPolarHBondContact CE-OE1 3.1Å; K133-E194 IonicContact NZ-OE1 2.74Å; K133-E194 PolarHBondContact NZ-OE1 2.95Å; K133-Y198 PolarHBondContact NZ-OH 2.92Å
134	H	84.1	Confident	80.8	Confident	86 Å²	86	65.6 Å²	65.6	40%	0.398	36%	0.359	S	S	.	.	S	Bend	trans	-113	122.8	174.2	-58.1	154.6	0	0	0	108.6	Y119 C120 D132	Y119-H134 HydrophobicContact CD2-CB 3.78Å; Y119-H134 AromaticContact CD2-CD2 3.67Å; Y119-H134 AromaticContact CD2-CG 3.65Å; Y119-H134 HydrophobicContact CE2-CB 4.36Å; Y119-H134 AromaticContact CE2-CD2 3.47Å; Y119-H134 VanDerWaalsContact CE2-CD2 3.47Å; Y119-H134 WeakPolarHBondContact CE2-CD2 3.47Å; Y119-H134 AromaticContact CE2-CE1 3.99Å; Y119-H134 AromaticContact CE2-CG 3.73Å; Y119-H134 AromaticContact CE2-NE2 3.69Å; Y119-H134 HydrophobicContact CG-CB 4.31Å; C120-H134 WeakPolarHBondContact O-CA 3.27Å; D132-H134 VanDerWaalsContact C-N 3.35Å; D132-H134 WeakPolarHBondContact CB-O 3.41Å
135	F	85.1	Confident	81.1	Confident	10 Å²	10	68.9 Å²	68.9	4%	0.044	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-134.8	150.3	179.9	62.8	-87.7	0	0	0	110.7	C120 A141	C120-F135 HydrophobicContact CB-CD2 4.04Å; C120-F135 HydrophobicContact CB-CE1 4.11Å; C120-F135 HydrophobicContact CB-CE2 3.6Å; C120-F135 HydrophobicContact CB-CG 4.49Å; C120-F135 HydrophobicContact CB-CZ 3.63Å; C120-F135 WeakPolarHBondContact CB-O 3.39Å; C120-F135 PolarHBondContact N-O 3Å; C120-F135 WeakPolarHBondContact O-CD1 3.43Å; C120-F135 PolarHBondContact O-N 3.46Å; F135-A141 HydrophobicContact CB-CB 3.74Å; F135-A141 HydrophobicContact CD2-CB 3.46Å; F135-A141 VanDerWaalsContact CD2-CB 3.46Å; F135-A141 HydrophobicContact CE2-CB 4.23Å; F135-A141 WeakPolarHBondContact CE2-O 3Å; F135-A141 HydrophobicContact CG-CB 3.7Å
136	H	86	Confident	81	Confident	57 Å²	57	69.6 Å²	69.6	26%	0.264	38%	0.378	S	S	.	.			trans	-96.2	128.5	172.7	-163.4	-73.6	0	0	0	108.3	F118 A138 K139	F118-H136 AromaticContact CD1-NE2 4Å; F118-H136 AromaticContact CE1-CE1 3.77Å; F118-H136 AromaticContact CE1-NE2 3.57Å; F118-H136 AromaticContact CZ-CE1 3.79Å; F118-H136 AromaticContact CZ-NE2 3.9Å; F118-H136 PolarHBondContact O-CD2 3.01Å; H136-A138 VanDerWaalsContact ND1-CB 3.32Å; H136-A138 WeakPolarHBondContact ND1-CB 3.48Å; H136-A138 PolarHBondContact ND1-N 2.76Å; H136-A138 PolarHBondContact O-N 2.82Å; H136-K139 HydrophobicContact CB-CG 4.48Å; H136-K139 WeakPolarHBondContact O-CB 3.28Å; H136-K139 PolarHBondContact O-N 2.82Å
137	P	81.6	Confident	80.4	Confident	33 Å²	33	71.7 Å²	71.7	21%	0.214	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-66.2	-26.6	-171.6	25.4	-33.2	0	0	0	112.4	V104 F118 C120 K139 G140	V104-P137 HydrophobicContact CG1-CG 4.32Å; V104-P137 WeakPolarHBondContact O-CB 3.24Å; V104-P137 WeakPolarHBondContact O-CG 3.32Å; F118-P137 HydrophobicContact CE2-CG 3.41Å; F118-P137 VanDerWaalsContact CE2-CG 3.41Å; F118-P137 HydrophobicContact CZ-CG 3.52Å; C120-P137 VanDerWaalsContact SG-CD 3.59Å; P137-K139 PolarHBondContact O-N 2.8Å; P137-G140 PolarHBondContact O-N 2.9Å
138	A	79.6	Confident	79.7	Confident	86 Å²	86	72.8 Å²	72.8	71%	0.711	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-57.4	-19.7	171.5	0	0	0	0	0	114	H136 G140	H136-A138 VanDerWaalsContact ND1-CB 3.32Å; H136-A138 WeakPolarHBondContact ND1-CB 3.48Å; H136-A138 PolarHBondContact ND1-N 2.76Å; H136-A138 PolarHBondContact O-N 2.82Å; A138-G140 VanDerWaalsContact C-N 3.29Å
139	K	80.8	Confident	78.8	Confident	182 Å²	182	78.7 Å²	78.7	79%	0.791	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-85.4	4.7	174.9	-61.7	-176.8	178.8	178.5	0	113.5	H136 P137 A141	H136-K139 HydrophobicContact CB-CG 4.48Å; H136-K139 WeakPolarHBondContact O-CB 3.28Å; H136-K139 PolarHBondContact O-N 2.82Å; P137-K139 PolarHBondContact O-N 2.8Å; K139-A141 VanDerWaalsContact C-N 3.27Å; K139-A141 PolarHBondContact O-N 3.18Å
140	G	79.8	Confident	78.1	Confident	54 Å²	54	79.5 Å²	79.5	56%	0.557	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	6.2	177.6	0	0	0	0	0	115.3	P137 A138	P137-G140 PolarHBondContact O-N 2.9Å; A138-G140 VanDerWaalsContact C-N 3.29Å
141	A	85.1	Confident	77.9	Confident	9 Å²	9	76.9 Å²	76.9	7%	0.074	41%	0.408	C	S	.	.			trans	-71.9	137.9	175	0	0	0	0	0	111	T129 F135 K139	T129-A141 WeakPolarHBondContact OG1-CA 3.49Å; F135-A141 HydrophobicContact CB-CB 3.74Å; F135-A141 HydrophobicContact CD2-CB 3.46Å; F135-A141 VanDerWaalsContact CD2-CB 3.46Å; F135-A141 HydrophobicContact CE2-CB 4.23Å; F135-A141 WeakPolarHBondContact CE2-O 3Å; F135-A141 HydrophobicContact CG-CB 3.7Å; K139-A141 VanDerWaalsContact C-N 3.27Å; K139-A141 PolarHBondContact O-N 3.18Å
142	R	85.4	Confident	77.9	Confident	189 Å²	189	75.2 Å²	75.2	71%	0.713	38%	0.383	S	S	*	.			trans	-140	159.2	179.4	-63.3	-174.4	-176	-177	0.4	110.4	S128 T129	S128-R142 CarbonylContact C-O 3.55Å; S128-R142 WeakPolarHBondContact CA-O 3.33Å; T129-R142 WeakPolarHBondContact CG2-O 3.41Å; T129-R142 PolarHBondContact N-O 2.84Å; T129-R142 PolarHBondContact OG1-N 3.29Å; T129-R142 PolarHBondContact OG1-O 2.89Å
143	C	86.8	Confident	77.6	Confident	23 Å²	23	74.7 Å²	74.7	16%	0.155	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.1	176.5	-62.4	0	0	0	0	111.3	N108 C122 Y126	N108-C143 HydrophobicContact CB-CB 4.48Å; N108-C143 WeakPolarHBondContact O-CB 3.47Å; N108-C143 PolarHBondContact O-SG 3.07Å; C122-C143 WeakPolarHBondContact CA-SG 3.35Å; C122-C143 HydrophobicContact CB-CB 3.88Å; C122-C143 WeakPolarHBondContact CB-SG 3.43Å; C122-C143 WeakPolarHBondContact SG-CA 3.32Å; C122-C143 WeakPolarHBondContact SG-CB 3.34Å; C122-C143 CovalentContact SG-SG 2.04Å; C122-C143 PolarHBondContact SG-SG 3.17Å; Y126-C143 HydrophobicContact CD1-CB 4.48Å
144	K	86.1	Confident	77.9	Confident	102 Å²	102	76.1 Å²	76.1	44%	0.443	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	152.9	171.3	64.7	175	-179.8	-177.2	0	109.6	Y126 I127 T129 H146	Y126-K144 CarbonylContact C-O 3.55Å; Y126-K144 VanDerWaalsContact CA-O 3.22Å; Y126-K144 WeakPolarHBondContact CA-O 3.35Å; Y126-K144 WeakPolarHBondContact CB-O 3.21Å; Y126-K144 VanDerWaalsContact CD1-C 3.46Å; I127-K144 HydrophobicContact CG1-CD 4.46Å; I127-K144 HydrophobicContact CG1-CG 3.83Å; I127-K144 PolarHBondContact N-O 2.91Å; I127-K144 WeakPolarHBondContact O-CG 3.41Å; I127-K144 PolarHBondContact O-N 3.07Å; T129-K144 HydrophobicContact CG2-CD 4.19Å; T129-K144 HydrophobicContact CG2-CG 4.37Å; K144-H146 PolarHBondContact O-N 3.01Å
145	E	80.2	Confident	77.7	Confident	108 Å²	108	77.3 Å²	77.3	51%	0.505	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	137.1	176.3	-74.4	-174.5	-162.4	0	0	111.1	Y126 P147 R149	Y126-E145 HydrophobicContact CD1-CG 4.12Å; Y126-E145 HydrophobicContact CE1-CB 4.37Å; Y126-E145 HydrophobicContact CE1-CG 3.46Å; Y126-E145 VanDerWaalsContact CE1-CG 3.46Å; E145-P147 WeakPolarHBondContact O-CD 3.35Å; E145-R149 IonicContact OE2-NH1 2.74Å; E145-R149 PolarHBondContact OE2-NH1 2.84Å
146	H	74.8	Confident	77.6	Confident	48 Å²	48	79 Å²	79	22%	0.222	42%	0.42	C	S	.	.			trans	-67.1	124.1	177.1	-162.7	-49.7	0	0	0	108.5	D125 I127 K144 Q148 R149	D125-H146 WeakPolarHBondContact O-CB 3.15Å; D125-H146 PolarHBondContact O-N 2.57Å; I127-H146 HydrophobicContact CG2-CB 4.16Å; I127-H146 WeakPolarHBondContact CG2-CD2 3.32Å; K144-H146 PolarHBondContact O-N 3.01Å; H146-Q148 PolarHBondContact ND1-N 2.95Å; H146-Q148 PolarHBondContact O-N 2.81Å; H146-R149 PolarHBondContact O-N 2.82Å
147	P	66.6	Low	77.4	Confident	106 Å²	106	77.3 Å²	77.3	69%	0.688	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-2	-179.1	-21.8	31.1	0	0	0	115.3	I127 E145	I127-P147 HydrophobicContact CD1-CG 4.49Å; E145-P147 WeakPolarHBondContact O-CD 3.35Å
148	Q	65.1	Low	77.4	Confident	75 Å²	75	76.2 Å²	76.2	35%	0.35	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	28.5	-168	-79.8	-175.5	-19.2	0	0	110.6	H146 D150 C151 C157	H146-Q148 PolarHBondContact ND1-N 2.95Å; H146-Q148 PolarHBondContact O-N 2.81Å; Q148-D150 PolarHBondContact O-N 2.81Å; Q148-D150 VanDerWaalsContact O-N 3.12Å; Q148-C151 HydrophobicContact CB-CB 3.77Å; Q148-C151 HydrophobicContact CG-CB 4.4Å; Q148-C151 WeakPolarHBondContact O-CB 3.45Å; Q148-C151 PolarHBondContact O-N 3.3Å; Q148-C157 PolarHBondContact NE2-SG 2.85Å
149	R	66.2	Low	77.5	Confident	130 Å²	130	75.5 Å²	75.5	49%	0.491	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-36	178.4	69.5	-174.2	-171.2	-168.8	4.5	113.4	D125 E145 H146 H152	D125-R149 HydrophobicContact CB-CB 4.36Å; E145-R149 IonicContact OE2-NH1 2.74Å; E145-R149 PolarHBondContact OE2-NH1 2.84Å; H146-R149 PolarHBondContact O-N 2.82Å; R149-H152 PolarHBondContact O-CE1 2.95Å; R149-H152 PolarHBondContact O-ND1 3Å
150	D	67.6	Low	77.7	Confident	94 Å²	94	73 Å²	73	50%	0.503	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	14.2	-179.9	-55	-45.5	0	0	0	113.2	Q148 H152 D153	Q148-D150 PolarHBondContact O-N 2.81Å; Q148-D150 VanDerWaalsContact O-N 3.12Å; D150-H152 PolarHBondContact O-N 2.75Å; D150-D153 PolarHBondContact O-N 3.36Å
151	C	74.7	Confident	77.7	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.034	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-63.2	-25.6	-175.4	-175.4	0	0	0	0	113.1	Q148 D153 N154 C157 M158 V193	Q148-C151 HydrophobicContact CB-CB 3.77Å; Q148-C151 HydrophobicContact CG-CB 4.4Å; Q148-C151 WeakPolarHBondContact O-CB 3.45Å; Q148-C151 PolarHBondContact O-N 3.3Å; C151-D153 PolarHBondContact O-N 3.03Å; C151-D153 VanDerWaalsContact O-N 3.09Å; C151-N154 PolarHBondContact O-N 3.49Å; C151-C157 HydrophobicContact CB-CB 4.09Å; C151-C157 WeakPolarHBondContact CB-SG 3.35Å; C151-C157 WeakPolarHBondContact SG-CB 3.08Å; C151-C157 CovalentContact SG-SG 2.03Å; C151-C157 PolarHBondContact SG-SG 2.94Å; C151-M158 VanDerWaalsContact O-CG 3.23Å; C151-M158 WeakPolarHBondContact O-CG 3.39Å; C151-M158 PolarHBondContact SG-N 2.69Å; C151-V193 HydrophobicContact CB-CG2 3.97Å
152	H	69.8	Low	77.7	Confident	27 Å²	27	71.6 Å²	71.6	13%	0.125	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-58.3	-21.7	178	59.6	-83.7	0	0	0	114	R149 D150 M158 V193 R248 R253	R149-H152 PolarHBondContact O-CE1 2.95Å; R149-H152 PolarHBondContact O-ND1 3Å; D150-H152 PolarHBondContact O-N 2.75Å; H152-M158 WeakPolarHBondContact O-CE 3.36Å; H152-V193 HydrophobicContact CB-CG2 4.15Å; H152-R248 PolarHBondContact CD2-O 2.71Å; H152-R253 PolarHBondContact O-NH1 2.86Å
153	D	71.1	Confident	77.7	Confident	81 Å²	81	66 Å²	66	43%	0.433	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-90.1	-15.7	176.1	-76.3	-33.8	0	0	0	114.3	D150 C151 K250	D150-D153 PolarHBondContact O-N 3.36Å; C151-D153 PolarHBondContact O-N 3.03Å; C151-D153 VanDerWaalsContact O-N 3.09Å; D153-K250 WeakPolarHBondContact OD1-CE 3.45Å; D153-K250 IonicContact OD1-NZ 3.36Å
154	N	80.5	Confident	77.6	Confident	94 Å²	94	71.2 Å²	71.2	50%	0.503	37%	0.37	S	S	.	.			trans	-109.5	110.3	-175.6	-174.5	-46.5	0	0	0	111.7	C151 G156 C157 M158	C151-N154 PolarHBondContact O-N 3.49Å; N154-G156 VanDerWaalsContact C-N 3.3Å; N154-G156 PolarHBondContact O-N 3.19Å; N154-G156 PolarHBondContact OD1-N 2.86Å; N154-C157 HydrophobicContact CB-CB 3.94Å; N154-C157 PolarHBondContact O-N 2.88Å; N154-C157 PolarHBondContact OD1-N 3.25Å; N154-C157 VanDerWaalsContact OD1-N 3.14Å; N154-M158 WeakPolarHBondContact O-CE 3.32Å; N154-M158 PolarHBondContact O-N 3.23Å
155	I	79.6	Confident	77.4	Confident	111 Å²	111	67.8 Å²	67.8	57%	0.569	36%	0.357	S	S	*	.	H	α-helix	trans	-54.6	-42.6	-177.6	-63	173.2	0	0	0	112.5	M158 T159	I155-M158 HydrophobicContact CG1-CE 4.39Å; I155-T159 WeakPolarHBondContact O-CB 3.04Å; I155-T159 PolarHBondContact O-N 2.95Å; I155-T159 PolarHBondContact O-OG1 3.44Å
156	G	82.1	Confident	77.5	Confident	46 Å²	46	63 Å²	63	47%	0.474	34%	0.335	S	S	.	.	H	α-helix	trans	-66.3	-43.7	-179.3	0	0	0	0	0	112.1	N154 T159 Q160	N154-G156 VanDerWaalsContact C-N 3.3Å; N154-G156 PolarHBondContact O-N 3.19Å; N154-G156 PolarHBondContact OD1-N 2.86Å; G156-T159 PolarHBondContact O-N 2.82Å; G156-Q160 PolarHBondContact O-N 3.47Å; G156-Q160 VanDerWaalsContact O-N 3.09Å
157	C	82.2	Confident	77.9	Confident	20 Å²	20	66.7 Å²	66.7	14%	0.135	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-47.2	177.6	-177.7	0	0	0	0	112	Q148 C151 N154 Q160 A161	Q148-C157 PolarHBondContact NE2-SG 2.85Å; C151-C157 HydrophobicContact CB-CB 4.09Å; C151-C157 WeakPolarHBondContact CB-SG 3.35Å; C151-C157 WeakPolarHBondContact SG-CB 3.08Å; C151-C157 CovalentContact SG-SG 2.03Å; C151-C157 PolarHBondContact SG-SG 2.94Å; N154-C157 HydrophobicContact CB-CB 3.94Å; N154-C157 PolarHBondContact O-N 2.88Å; N154-C157 PolarHBondContact OD1-N 3.25Å; N154-C157 VanDerWaalsContact OD1-N 3.14Å; C157-Q160 PolarHBondContact O-N 2.86Å; C157-A161 WeakPolarHBondContact O-CB 3.46Å; C157-A161 PolarHBondContact O-N 3.38Å
158	M	80.6	Confident	78.5	Confident	10 Å²	10	67.1 Å²	67.1	5%	0.049	35%	0.349	C	S	.	.	H	α-helix	trans	-64.6	-44.2	177.8	-69.9	175.7	-69.7	0	0	111.9	C151 H152 N154 I155 Q160 A161 V162 V193 I196 R253	C151-M158 VanDerWaalsContact O-CG 3.23Å; C151-M158 WeakPolarHBondContact O-CG 3.39Å; C151-M158 PolarHBondContact SG-N 2.69Å; H152-M158 WeakPolarHBondContact O-CE 3.36Å; N154-M158 WeakPolarHBondContact O-CE 3.32Å; N154-M158 PolarHBondContact O-N 3.23Å; I155-M158 HydrophobicContact CG1-CE 4.39Å; M158-Q160 PolarHBondContact O-N 3.04Å; M158-A161 PolarHBondContact O-N 3.08Å; M158-A161 VanDerWaalsContact O-N 3.08Å; M158-V162 WeakPolarHBondContact O-CB 3.43Å; M158-V162 VanDerWaalsContact O-CG2 3.24Å; M158-V162 WeakPolarHBondContact O-CG2 3.3Å; M158-V162 PolarHBondContact O-N 2.74Å; M158-V193 HydrophobicContact CG-CG1 4.27Å; M158-V193 HydrophobicContact CG-CG2 4.05Å; M158-I196 HydrophobicContact SD-CD1 4.06Å; M158-R253 PolarHBondContact SD-NH1 2.86Å; M158-R253 VanDerWaalsContact SD-NH1 3.43Å
159	T	83.4	Confident	79	Confident	71 Å²	71	64.3 Å²	64.3	44%	0.436	34%	0.336	S	S	.	.	H	α-helix	trans	-59.1	-41.4	-178.9	-55.6	0	0	0	0	110.2	I155 G156 N163	I155-T159 WeakPolarHBondContact O-CB 3.04Å; I155-T159 PolarHBondContact O-N 2.95Å; I155-T159 PolarHBondContact O-OG1 3.44Å; G156-T159 PolarHBondContact O-N 2.82Å; T159-N163 VanDerWaalsContact O-CB 3.26Å; T159-N163 WeakPolarHBondContact O-CB 3.26Å; T159-N163 PolarHBondContact O-N 2.99Å; T159-N163 PolarHBondContact O-ND2 3.16Å
160	Q	84.5	Confident	79.3	Confident	130 Å²	130	61.5 Å²	61.5	61%	0.607	34%	0.337	S	S	*	.	H	α-helix	trans	-64.2	-44.8	174.3	-172.4	-178.4	10.6	0	0	112.4	G156 C157 M158 N163 K164	G156-Q160 PolarHBondContact O-N 3.47Å; G156-Q160 VanDerWaalsContact O-N 3.09Å; C157-Q160 PolarHBondContact O-N 2.86Å; M158-Q160 PolarHBondContact O-N 3.04Å; Q160-N163 PolarHBondContact O-N 3.23Å; Q160-K164 VanDerWaalsContact O-CB 3.27Å; Q160-K164 WeakPolarHBondContact O-CB 3.47Å; Q160-K164 PolarHBondContact O-N 2.9Å
161	A	80.1	Confident	79.4	Confident	17 Å²	17	63.7 Å²	63.7	14%	0.14	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-43.5	179.1	0	0	0	0	0	112.2	C157 M158 K164 T165 V193	C157-A161 WeakPolarHBondContact O-CB 3.46Å; C157-A161 PolarHBondContact O-N 3.38Å; M158-A161 PolarHBondContact O-N 3.08Å; M158-A161 VanDerWaalsContact O-N 3.08Å; A161-K164 PolarHBondContact O-N 3.13Å; A161-T165 PolarHBondContact O-N 3.2Å; A161-T165 PolarHBondContact O-OG1 3.22Å; A161-T165 VanDerWaalsContact O-OG1 3.06Å; A161-V193 HydrophobicContact CB-CG1 3.58Å
162	V	83.4	Confident	79.4	Confident	17 Å²	17	66.5 Å²	66.5	10%	0.103	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-50.5	175.4	171.7	0	0	0	0	109.9	M158 K164 T165 L166 I196 A197 E200	M158-V162 WeakPolarHBondContact O-CB 3.43Å; M158-V162 VanDerWaalsContact O-CG2 3.24Å; M158-V162 WeakPolarHBondContact O-CG2 3.3Å; M158-V162 PolarHBondContact O-N 2.74Å; V162-K164 VanDerWaalsContact C-N 3.32Å; V162-K164 PolarHBondContact O-N 2.86Å; V162-T165 PolarHBondContact O-N 3.34Å; V162-L166 HydrophobicContact CG1-CD1 3.57Å; V162-L166 HydrophobicContact CG1-CG 4.33Å; V162-L166 WeakPolarHBondContact O-CB 3.43Å; V162-L166 WeakPolarHBondContact O-CG 3.31Å; V162-L166 PolarHBondContact O-N 3Å; V162-I196 HydrophobicContact CG2-CG2 4.13Å; V162-A197 HydrophobicContact CB-CB 4.42Å; V162-A197 HydrophobicContact CG2-CB 3.96Å; V162-E200 HydrophobicContact CG1-CB 4.23Å; V162-E200 HydrophobicContact CG1-CG 4.13Å
163	N	85.7	Confident	79.3	Confident	72 Å²	72	70.9 Å²	70.9	39%	0.385	39%	0.391	S	S	.	.	H	α-helix	trans	-59.2	-43.3	177.6	-74.9	-16	0	0	0	111.9	T159 Q160 T165 L166 E167	T159-N163 VanDerWaalsContact O-CB 3.26Å; T159-N163 WeakPolarHBondContact O-CB 3.26Å; T159-N163 PolarHBondContact O-N 2.99Å; T159-N163 PolarHBondContact O-ND2 3.16Å; Q160-N163 PolarHBondContact O-N 3.23Å; N163-T165 PolarHBondContact O-N 3Å; N163-L166 CarbonylContact O-C 3.59Å; N163-L166 PolarHBondContact O-N 2.86Å; N163-E167 WeakPolarHBondContact O-CB 3.35Å; N163-E167 VanDerWaalsContact O-CG 3.3Å; N163-E167 WeakPolarHBondContact O-CG 3.4Å; N163-E167 PolarHBondContact O-N 3.33Å
164	K	84.9	Confident	79.4	Confident	132 Å²	132	72.9 Å²	72.9	57%	0.574	40%	0.398	S	S	*	.	H	α-helix	trans	-61.3	-43.3	177.1	-175.1	177.9	-179	-178.7	0	112.3	Q160 A161 V162 L166 E167 N168	Q160-K164 VanDerWaalsContact O-CB 3.27Å; Q160-K164 WeakPolarHBondContact O-CB 3.47Å; Q160-K164 PolarHBondContact O-N 2.9Å; A161-K164 PolarHBondContact O-N 3.13Å; V162-K164 VanDerWaalsContact C-N 3.32Å; V162-K164 PolarHBondContact O-N 2.86Å; K164-L166 VanDerWaalsContact C-N 3.33Å; K164-E167 PolarHBondContact O-N 3.3Å; K164-N168 VanDerWaalsContact O-CG 3.23Å; K164-N168 PolarHBondContact O-N 2.04Å; K164-N168 PolarHBondContact O-ND2 3.2Å
165	T	82.4	Confident	79	Confident	29 Å²	29	69 Å²	69	18%	0.178	38%	0.378	C	S	.	.	H	α-helix	trans	-62	-43.3	175	-61.3	0	0	0	0	111.1	A161 V162 N163 N168 M169 A197 Y198	A161-T165 PolarHBondContact O-N 3.2Å; A161-T165 PolarHBondContact O-OG1 3.22Å; A161-T165 VanDerWaalsContact O-OG1 3.06Å; V162-T165 PolarHBondContact O-N 3.34Å; N163-T165 PolarHBondContact O-N 3Å; T165-N168 PolarHBondContact O-N 2.91Å; T165-M169 HydrophobicContact CG2-CE 4.04Å; T165-M169 HydrophobicContact CG2-SD 4.36Å; T165-M169 WeakPolarHBondContact O-CG 3.39Å; T165-M169 PolarHBondContact O-N 2.88Å; T165-A197 HydrophobicContact CG2-CB 4.09Å; T165-Y198 HydrophobicContact CG2-CD1 4.39Å; T165-Y198 HydrophobicContact CG2-CE1 4.04Å
166	L	81.5	Confident	78.9	Confident	8 Å²	8	66.8 Å²	66.8	4%	0.042	37%	0.365	C	S	.	.	H	α-helix	trans	-69.1	-36.3	179.5	-67.1	169	0	0	0	112.6	V162 N163 K164 M169 S170 E200 A201	V162-L166 HydrophobicContact CG1-CD1 3.57Å; V162-L166 HydrophobicContact CG1-CG 4.33Å; V162-L166 WeakPolarHBondContact O-CB 3.43Å; V162-L166 WeakPolarHBondContact O-CG 3.31Å; V162-L166 PolarHBondContact O-N 3Å; N163-L166 CarbonylContact O-C 3.59Å; N163-L166 PolarHBondContact O-N 2.86Å; K164-L166 VanDerWaalsContact C-N 3.33Å; L166-M169 CarbonylContact O-C 3.53Å; L166-M169 PolarHBondContact O-N 3.2Å; L166-S170 WeakPolarHBondContact O-CB 3.45Å; L166-S170 PolarHBondContact O-N 3.39Å; L166-E200 HydrophobicContact CD1-CB 4.4Å; L166-E200 HydrophobicContact CD1-CG 3.69Å; L166-E200 HydrophobicContact CD2-CG 4.36Å; L166-A201 HydrophobicContact CD2-CB 3.81Å
167	E	83.5	Confident	78.9	Confident	125 Å²	125	66.6 Å²	66.6	58%	0.584	36%	0.357	S	S	*	.	H	α-helix	trans	-63.8	-46	173.3	-78.1	172	-178.4	0	0	111	N163 K164 M169 S170	N163-E167 WeakPolarHBondContact O-CB 3.35Å; N163-E167 VanDerWaalsContact O-CG 3.3Å; N163-E167 WeakPolarHBondContact O-CG 3.4Å; N163-E167 PolarHBondContact O-N 3.33Å; K164-E167 PolarHBondContact O-N 3.3Å; E167-M169 PolarHBondContact O-N 2.98Å; E167-S170 WeakPolarHBondContact O-CB 3.28Å; E167-S170 PolarHBondContact O-N 3.49Å; E167-S170 PolarHBondContact O-OG 3.25Å
168	N	78.9	Confident	79	Confident	115 Å²	115	66.4 Å²	66.4	62%	0.615	36%	0.355	S	S	*	.	H	α-helix	trans	-57.7	-32.2	174.9	-71.7	-15.2	0	0	0	112.4	K164 T165	K164-N168 VanDerWaalsContact O-CG 3.23Å; K164-N168 PolarHBondContact O-N 2.04Å; K164-N168 PolarHBondContact O-ND2 3.2Å; T165-N168 PolarHBondContact O-N 2.91Å
169	M	76.3	Confident	79.2	Confident	16 Å²	16	66 Å²	66	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-88.8	-13.9	178.7	-68.7	-177.5	177.2	0	0	114	T165 L166 E167 N171 L172 L178 I182 Y198 A201	T165-M169 HydrophobicContact CG2-CE 4.04Å; T165-M169 HydrophobicContact CG2-SD 4.36Å; T165-M169 WeakPolarHBondContact O-CG 3.39Å; T165-M169 PolarHBondContact O-N 2.88Å; L166-M169 CarbonylContact O-C 3.53Å; L166-M169 PolarHBondContact O-N 3.2Å; E167-M169 PolarHBondContact O-N 2.98Å; M169-N171 PolarHBondContact O-N 3.3Å; M169-N171 VanDerWaalsContact O-N 3.16Å; M169-L172 WeakPolarHBondContact O-CB 3.4Å; M169-L172 PolarHBondContact O-N 3.44Å; M169-L178 HydrophobicContact CB-CD1 3.79Å; M169-L178 HydrophobicContact CG-CD1 4.18Å; M169-L178 HydrophobicContact SD-CD1 4.05Å; M169-I182 HydrophobicContact CE-CG1 4.05Å; M169-I182 HydrophobicContact SD-CG1 4.06Å; M169-Y198 HydrophobicContact CE-CD1 3.73Å; M169-Y198 HydrophobicContact CE-CE1 3.4Å; M169-A201 HydrophobicContact SD-CB 3.65Å
170	S	71.8	Confident	79.4	Confident	72 Å²	72	70.1 Å²	70.1	50%	0.503	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-22.2	-174.6	68.7	0	0	0	0	113.7	L166 E167 L172	L166-S170 WeakPolarHBondContact O-CB 3.45Å; L166-S170 PolarHBondContact O-N 3.39Å; E167-S170 WeakPolarHBondContact O-CB 3.28Å; E167-S170 PolarHBondContact O-N 3.49Å; E167-S170 PolarHBondContact O-OG 3.25Å; S170-L172 PolarHBondContact O-N 2.87Å
171	N	70.6	Confident	79.5	Confident	140 Å²	140	66.5 Å²	66.5	75%	0.749	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.8	176	-66.3	-25.4	0	0	0	113	M169	M169-N171 PolarHBondContact O-N 3.3Å; M169-N171 VanDerWaalsContact O-N 3.16Å
172	L	73.5	Confident	79.9	Confident	63 Å²	63	65.7 Å²	65.7	33%	0.33	34%	0.337	S	S	.	.			trans	-96.2	95.9	178.8	-61.5	172.9	0	0	0	109.5	M169 S170 L178 E181	M169-L172 WeakPolarHBondContact O-CB 3.4Å; M169-L172 PolarHBondContact O-N 3.44Å; S170-L172 PolarHBondContact O-N 2.87Å; L172-L178 HydrophobicContact CB-CB 4.34Å; L172-L178 HydrophobicContact CB-CD1 4.48Å; L172-L178 HydrophobicContact CD1-CD1 4.46Å; L172-E181 HydrophobicContact CD1-CB 3.76Å; L172-E181 HydrophobicContact CD1-CG 4.05Å
173	T	68.3	Low	80.2	Confident	119 Å²	119	65.1 Å²	65.1	73%	0.73	33%	0.333	S	S	*	.			trans	-82.1	-22.5	179	50.6	0	0	0	0	113.2
174	E	73.9	Confident	80.2	Confident	123 Å²	123	65.5 Å²	65.5	58%	0.575	34%	0.335	S	S	*	.	S	Bend	trans	-82.6	124	177.6	-71.4	-173.9	169.5	0	0	111.9	Q176 S177 L178	E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 2.88Å; E174-S177 PolarHBondContact O-N 3.13Å; E174-S177 PolarHBondContact OE2-OG 3.45Å; E174-L178 PolarHBondContact O-N 3.37Å
175	P	72.7	Confident	80.2	Confident	13 Å²	13	64.2 Å²	64.2	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-35.9	-176.2	-22.9	30.8	0	0	0	114.1	S177 L178 L179 L209 V212	P175-S177 VanDerWaalsContact C-N 3.32Å; P175-S177 PolarHBondContact O-N 3.02Å; P175-L178 PolarHBondContact O-N 2.85Å; P175-L179 WeakPolarHBondContact O-CB 3.31Å; P175-L179 WeakPolarHBondContact O-CG 3.42Å; P175-L179 PolarHBondContact O-N 3.37Å; P175-L209 HydrophobicContact CB-CD2 3.69Å; P175-L209 HydrophobicContact CB-CG 3.76Å; P175-L209 HydrophobicContact CG-CD2 4.43Å; P175-L209 HydrophobicContact CG-CG 4.45Å; P175-V212 HydrophobicContact CG-CB 4.25Å; P175-V212 HydrophobicContact CG-CG1 4.46Å; P175-V212 HydrophobicContact CG-CG2 4.05Å
176	Q	76.3	Confident	80.5	Confident	64 Å²	64	62.9 Å²	62.9	30%	0.299	32%	0.319	S	S	.	.	H	α-helix	trans	-67.2	-34	177.9	-69.4	-165.1	16.7	0	0	113	E174 R180 T226	E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 2.88Å; Q176-R180 WeakPolarHBondContact O-CB 3.26Å; Q176-R180 PolarHBondContact O-N 2.82Å; Q176-R180 VanDerWaalsContact O-N 3.14Å; Q176-T226 HydrophobicContact CG-CG2 4.44Å; Q176-T226 WeakPolarHBondContact CG-OG1 3.48Å; Q176-T226 PolarHBondContact NE2-OG1 3.48Å; Q176-T226 VanDerWaalsContact NE2-OG1 3.16Å
177	S	81.8	Confident	80.6	Confident	43 Å²	43	65.4 Å²	65.4	30%	0.301	34%	0.337	S	S	.	.	H	α-helix	trans	-75.5	-40.6	179.1	-63.8	0	0	0	0	110.1	E174 P175 R180 E181	E174-S177 PolarHBondContact O-N 3.13Å; E174-S177 PolarHBondContact OE2-OG 3.45Å; P175-S177 VanDerWaalsContact C-N 3.32Å; P175-S177 PolarHBondContact O-N 3.02Å; S177-R180 PolarHBondContact O-N 2.91Å; S177-E181 PolarHBondContact O-N 2.9Å
178	L	84.6	Confident	80.2	Confident	16 Å²	16	61 Å²	61	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-50.2	172.6	-178.9	60.9	0	0	0	112.1	M169 L172 E174 P175 R180 E181 I182	M169-L178 HydrophobicContact CB-CD1 3.79Å; M169-L178 HydrophobicContact CG-CD1 4.18Å; M169-L178 HydrophobicContact SD-CD1 4.05Å; L172-L178 HydrophobicContact CB-CB 4.34Å; L172-L178 HydrophobicContact CB-CD1 4.48Å; L172-L178 HydrophobicContact CD1-CD1 4.46Å; E174-L178 PolarHBondContact O-N 3.37Å; P175-L178 PolarHBondContact O-N 2.85Å; L178-R180 VanDerWaalsContact C-N 3.28Å; L178-R180 PolarHBondContact O-N 2.91Å; L178-E181 PolarHBondContact O-N 3.07Å; L178-E181 VanDerWaalsContact O-N 3.17Å; L178-I182 HydrophobicContact CD1-CD1 4.22Å; L178-I182 HydrophobicContact CD1-CG1 4.42Å; L178-I182 HydrophobicContact CG-CD1 4.02Å; L178-I182 WeakPolarHBondContact O-CG1 3.35Å; L178-I182 PolarHBondContact O-N 3.37Å
179	L	85.9	Confident	80.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-36.9	177.6	-75.7	176.9	0	0	0	112.6	P175 I182 A183 L202 S205 L209 T226 K229 L230	P175-L179 WeakPolarHBondContact O-CB 3.31Å; P175-L179 WeakPolarHBondContact O-CG 3.42Å; P175-L179 PolarHBondContact O-N 3.37Å; L179-I182 PolarHBondContact O-N 2.96Å; L179-A183 VanDerWaalsContact O-CB 3.31Å; L179-A183 WeakPolarHBondContact O-CB 3.41Å; L179-A183 PolarHBondContact O-N 2.85Å; L179-L202 HydrophobicContact CD2-CD2 3.63Å; L179-S205 WeakPolarHBondContact CD2-OG 3.38Å; L179-L209 HydrophobicContact CD1-CD1 4.15Å; L179-T226 HydrophobicContact CD1-CG2 3.86Å; L179-K229 HydrophobicContact CB-CB 4.06Å; L179-L230 HydrophobicContact CD1-CB 4.27Å; L179-L230 HydrophobicContact CD2-CD1 4.01Å
180	R	86.4	Confident	80.6	Confident	159 Å²	159	57.7 Å²	57.7	60%	0.6	31%	0.306	S	S	*	.	H	α-helix	trans	-64.4	-43.3	175.7	-176.2	-179.1	-177.6	-178.9	-0	111.3	Q176 S177 L178 A183 N184 K229	Q176-R180 WeakPolarHBondContact O-CB 3.26Å; Q176-R180 PolarHBondContact O-N 2.82Å; Q176-R180 VanDerWaalsContact O-N 3.14Å; S177-R180 PolarHBondContact O-N 2.91Å; L178-R180 VanDerWaalsContact C-N 3.28Å; L178-R180 PolarHBondContact O-N 2.91Å; R180-A183 PolarHBondContact O-N 2.81Å; R180-N184 WeakPolarHBondContact O-CB 3.31Å; R180-N184 PolarHBondContact O-N 3.41Å; R180-K229 HydrophobicContact CB-CD 4.45Å
181	E	87.6	Confident	81.2	Confident	54 Å²	54	55.3 Å²	55.3	25%	0.252	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-42.6	177.4	-173.3	62.3	-165.4	0	0	111.1	L172 S177 L178 A183 N184 R185	L172-E181 HydrophobicContact CD1-CB 3.76Å; L172-E181 HydrophobicContact CD1-CG 4.05Å; S177-E181 PolarHBondContact O-N 2.9Å; L178-E181 PolarHBondContact O-N 3.07Å; L178-E181 VanDerWaalsContact O-N 3.17Å; E181-A183 PolarHBondContact O-N 3.13Å; E181-N184 PolarHBondContact O-N 2.99Å; E181-R185 HydrophobicContact CG-CG 4.25Å; E181-R185 WeakPolarHBondContact O-CB 3.31Å; E181-R185 WeakPolarHBondContact O-CG 3.47Å; E181-R185 PolarHBondContact O-N 2.92Å; E181-R185 IonicContact OE1-CZ 3.93Å; E181-R185 IonicContact OE1-NE 3.67Å; E181-R185 PolarHBondContact OE1-NE 2.98Å; E181-R185 IonicContact OE1-NH2 3.69Å; E181-R185 PolarHBondContact OE1-NH2 2.98Å; E181-R185 VanDerWaalsContact OE1-NH2 3.08Å
182	I	88.6	Confident	81.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-47.8	174.7	-63.6	167.5	0	0	0	110.2	M169 L178 L179 N184 R185 T186 Y198 A201 L202 A233	M169-I182 HydrophobicContact CE-CG1 4.05Å; M169-I182 HydrophobicContact SD-CG1 4.06Å; L178-I182 HydrophobicContact CD1-CD1 4.22Å; L178-I182 HydrophobicContact CD1-CG1 4.42Å; L178-I182 HydrophobicContact CG-CD1 4.02Å; L178-I182 WeakPolarHBondContact O-CG1 3.35Å; L178-I182 PolarHBondContact O-N 3.37Å; L179-I182 PolarHBondContact O-N 2.96Å; I182-N184 VanDerWaalsContact C-N 3.3Å; I182-N184 PolarHBondContact O-N 2.96Å; I182-R185 PolarHBondContact O-N 2.85Å; I182-T186 HydrophobicContact CG2-CG2 4.16Å; I182-T186 WeakPolarHBondContact O-CB 3.23Å; I182-T186 VanDerWaalsContact O-CG2 3.29Å; I182-T186 WeakPolarHBondContact O-CG2 3.38Å; I182-T186 PolarHBondContact O-N 2.85Å; I182-T186 PolarHBondContact O-OG1 3.49Å; I182-Y198 HydrophobicContact CG2-CD1 4.37Å; I182-A201 HydrophobicContact CD1-CB 3.88Å; I182-A201 HydrophobicContact CG1-CB 4.34Å; I182-L202 HydrophobicContact CD1-CD2 3.91Å; I182-L202 HydrophobicContact CD1-CG 4.21Å; I182-L202 HydrophobicContact CG2-CD2 3.97Å; I182-L202 HydrophobicContact CG2-CG 4.08Å; I182-A233 HydrophobicContact CG2-CB 3.98Å
183	A	88.4	Confident	82.5	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-36.1	178.5	0	0	0	0	0	112.9	L179 R180 E181 T186 K232 A233 N236	L179-A183 VanDerWaalsContact O-CB 3.31Å; L179-A183 WeakPolarHBondContact O-CB 3.41Å; L179-A183 PolarHBondContact O-N 2.85Å; R180-A183 PolarHBondContact O-N 2.81Å; E181-A183 PolarHBondContact O-N 3.13Å; A183-T186 WeakPolarHBondContact CA-OG1 3.46Å; A183-T186 PolarHBondContact O-OG1 2.98Å; A183-K232 HydrophobicContact CB-CB 4.47Å; A183-K232 HydrophobicContact CB-CD 4.37Å; A183-K232 HydrophobicContact CB-CG 4.29Å; A183-A233 HydrophobicContact CB-CB 4.09Å; A183-N236 PolarHBondContact O-ND2 2.99Å
184	N	86.4	Confident	83.4	Confident	80 Å²	80	42.8 Å²	42.8	43%	0.428	22%	0.217	S	C	.	.	H	α-helix	trans	-74	-35.3	176.2	-78	-4	0	0	0	112.7	R180 E181 I182 T186 S187	R180-N184 WeakPolarHBondContact O-CB 3.31Å; R180-N184 PolarHBondContact O-N 3.41Å; E181-N184 PolarHBondContact O-N 2.99Å; I182-N184 VanDerWaalsContact C-N 3.3Å; I182-N184 PolarHBondContact O-N 2.96Å; N184-T186 VanDerWaalsContact C-N 3.32Å; N184-S187 PolarHBondContact O-OG 3.42Å
185	R	85.8	Confident	84.2	Confident	106 Å²	106	37 Å²	37	40%	0.4	19%	0.189	S	C	.	.	H	α-helix	trans	-79.6	-17.7	-178.9	-69.4	-73.5	-177.6	173.1	-0.4	113.5	K133 E181 I182 Y198	K133-R185 PolarHBondContact NZ-O 3.44Å; E181-R185 HydrophobicContact CG-CG 4.25Å; E181-R185 WeakPolarHBondContact O-CB 3.31Å; E181-R185 WeakPolarHBondContact O-CG 3.47Å; E181-R185 PolarHBondContact O-N 2.92Å; E181-R185 IonicContact OE1-CZ 3.93Å; E181-R185 IonicContact OE1-NE 3.67Å; E181-R185 PolarHBondContact OE1-NE 2.98Å; E181-R185 IonicContact OE1-NH2 3.69Å; E181-R185 PolarHBondContact OE1-NH2 2.98Å; E181-R185 VanDerWaalsContact OE1-NH2 3.08Å; I182-R185 PolarHBondContact O-N 2.85Å; R185-Y198 HydrophobicContact CB-CE1 3.83Å; R185-Y198 WeakPolarHBondContact CB-OH 3.41Å
186	T	88.4	Confident	85	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	19%	0.191	C	C	.	.	S	Bend	trans	-95.5	-8.3	179.8	49.8	0	0	0	0	114	I182 A183 N184 G188 L190 Y198 N236 L237	I182-T186 HydrophobicContact CG2-CG2 4.16Å; I182-T186 WeakPolarHBondContact O-CB 3.23Å; I182-T186 VanDerWaalsContact O-CG2 3.29Å; I182-T186 WeakPolarHBondContact O-CG2 3.38Å; I182-T186 PolarHBondContact O-N 2.85Å; I182-T186 PolarHBondContact O-OG1 3.49Å; A183-T186 WeakPolarHBondContact CA-OG1 3.46Å; A183-T186 PolarHBondContact O-OG1 2.98Å; N184-T186 VanDerWaalsContact C-N 3.32Å; T186-G188 PolarHBondContact O-N 3.06Å; T186-L190 HydrophobicContact CG2-CD1 4.37Å; T186-Y198 HydrophobicContact CG2-CD1 4.3Å; T186-Y198 HydrophobicContact CG2-CD2 3.68Å; T186-Y198 HydrophobicContact CG2-CE2 4.22Å; T186-Y198 HydrophobicContact CG2-CG 3.76Å; T186-N236 WeakPolarHBondContact O-CB 3.34Å; T186-N236 PolarHBondContact OG1-ND2 3.38Å; T186-L237 HydrophobicContact CG2-CD2 3.97Å; T186-L237 HydrophobicContact CG2-CG 4.3Å
187	S	82.2	Confident	85.6	Confident	61 Å²	61	34.4 Å²	34.4	43%	0.427	18%	0.177	S	C	.	.	S	Bend	trans	-77.7	28.1	-174.7	69	0	0	0	0	115.1	N184 N236	N184-S187 PolarHBondContact O-OG 3.42Å; S187-N236 PolarHBondContact N-ND2 3.27Å
188	G	75.6	Confident	86.1	Confident	32 Å²	32	33 Å²	33	33%	0.33	17%	0.165	S	C	.	.	S	Bend	trans	-161.8	173.4	-179	0	0	0	0	0	110.4	T186 L190	T186-G188 PolarHBondContact O-N 3.06Å; G188-L190 WeakPolarHBondContact O-CD2 3.46Å; G188-L190 WeakPolarHBondContact O-CG 3.45Å; G188-L190 PolarHBondContact O-N 3.26Å
189	E	79.6	Confident	86.5	Confident	62 Å²	62	32.3 Å²	32.3	29%	0.29	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-51.4	123	-169.9	-67.3	-177	-166.4	0	0	112.9	R110 N123 R124 E242	R110-E189 IonicContact NH1-OE1 3.02Å; N123-E189 WeakPolarHBondContact CA-OE2 3.25Å; R124-E189 PolarHBondContact N-OE2 3.25Å; E189-E242 WeakPolarHBondContact CA-OE1 3.46Å
190	L	83.5	Confident	86.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-102.1	142.6	-177.4	-59.5	177.1	0	0	0	111.6	R124 T186 G188 E194 V195 Y198 L237 E242 A245	R124-L190 PolarHBondContact NE-O 3.32Å; T186-L190 HydrophobicContact CG2-CD1 4.37Å; G188-L190 WeakPolarHBondContact O-CD2 3.46Å; G188-L190 WeakPolarHBondContact O-CG 3.45Å; G188-L190 PolarHBondContact O-N 3.26Å; L190-E194 HydrophobicContact CD2-CB 4.3Å; L190-V195 HydrophobicContact CB-CG2 3.84Å; L190-V195 HydrophobicContact CD1-CG2 4.04Å; L190-Y198 HydrophobicContact CD2-CD2 4.29Å; L190-Y198 HydrophobicContact CD2-CE2 4.01Å; L190-L237 HydrophobicContact CD1-CD2 3.6Å; L190-E242 WeakPolarHBondContact CB-OE2 3.5Å; L190-E242 PolarHBondContact N-OE2 3.44Å; L190-A245 WeakPolarHBondContact O-CB 3.4Å
191	T	84.5	Confident	86.7	Confident	21 Å²	21	27.4 Å²	27.4	13%	0.129	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-81.4	157.5	163.4	63.2	0	0	0	0	110.7	V193 E194 V195	T191-V193 PolarHBondContact O-N 3.22Å; T191-V193 VanDerWaalsContact O-N 3.17Å; T191-E194 WeakPolarHBondContact CB-OE2 3.36Å; T191-E194 WeakPolarHBondContact CG2-OE2 3.27Å; T191-E194 PolarHBondContact N-OE2 3.03Å; T191-E194 WeakPolarHBondContact O-CB 3.43Å; T191-E194 PolarHBondContact O-N 3.46Å; T191-E194 VanDerWaalsContact O-N 3.07Å; T191-E194 WeakPolarHBondContact OG1-CB 3.34Å; T191-E194 VanDerWaalsContact OG1-CG 3.26Å; T191-E194 WeakPolarHBondContact OG1-CG 3.24Å; T191-E194 PolarHBondContact OG1-N 2.98Å; T191-E194 PolarHBondContact OG1-OE2 2.78Å; T191-V195 PolarHBondContact O-N 2.86Å
192	S	86.9	Confident	86.8	Confident	6 Å²	6	24.8 Å²	24.8	4%	0.042	13%	0.134	C	C	.	.	H	α-helix	trans	-56.6	-34.3	177.1	-51.4	0	0	0	0	112.6	I196 A245 M249	S192-I196 WeakPolarHBondContact O-CD1 3.47Å; S192-I196 WeakPolarHBondContact O-CG1 3.11Å; S192-I196 PolarHBondContact O-N 3.36Å; S192-A245 WeakPolarHBondContact CB-O 3.24Å; S192-A245 PolarHBondContact OG-O 3.3Å; S192-M249 VanDerWaalsContact O-CE 3.28Å; S192-M249 WeakPolarHBondContact O-CE 3.44Å
193	V	85	Confident	86.8	Confident	15 Å²	15	26.4 Å²	26.4	9%	0.091	15%	0.145	C	C	.	.	H	α-helix	trans	-72.9	-37.4	178.5	-175.9	0	0	0	0	111.6	C151 H152 M158 A161 T191 I196 A197	C151-V193 HydrophobicContact CB-CG2 3.97Å; H152-V193 HydrophobicContact CB-CG2 4.15Å; M158-V193 HydrophobicContact CG-CG1 4.27Å; M158-V193 HydrophobicContact CG-CG2 4.05Å; A161-V193 HydrophobicContact CB-CG1 3.58Å; T191-V193 PolarHBondContact O-N 3.22Å; T191-V193 VanDerWaalsContact O-N 3.17Å; V193-I196 PolarHBondContact O-N 2.96Å; V193-A197 WeakPolarHBondContact O-CB 3.39Å; V193-A197 PolarHBondContact O-N 3.46Å
194	E	86.4	Confident	86.5	Confident	39 Å²	39	32 Å²	32	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-64.8	-42.4	174.6	-79.1	172.1	119.2	0	0	112	K133 L190 T191 I196 A197 Y198	K133-E194 WeakPolarHBondContact CE-OE1 3.1Å; K133-E194 IonicContact NZ-OE1 2.74Å; K133-E194 PolarHBondContact NZ-OE1 2.95Å; L190-E194 HydrophobicContact CD2-CB 4.3Å; T191-E194 WeakPolarHBondContact CB-OE2 3.36Å; T191-E194 WeakPolarHBondContact CG2-OE2 3.27Å; T191-E194 PolarHBondContact N-OE2 3.03Å; T191-E194 WeakPolarHBondContact O-CB 3.43Å; T191-E194 PolarHBondContact O-N 3.46Å; T191-E194 VanDerWaalsContact O-N 3.07Å; T191-E194 WeakPolarHBondContact OG1-CB 3.34Å; T191-E194 VanDerWaalsContact OG1-CG 3.26Å; T191-E194 WeakPolarHBondContact OG1-CG 3.24Å; T191-E194 PolarHBondContact OG1-N 2.98Å; T191-E194 PolarHBondContact OG1-OE2 2.78Å; E194-I196 VanDerWaalsContact C-N 3.32Å; E194-I196 PolarHBondContact O-N 3.42Å; E194-A197 PolarHBondContact O-N 2.84Å; E194-Y198 HydrophobicContact CB-CD2 4.04Å; E194-Y198 HydrophobicContact CB-CE2 3.78Å; E194-Y198 HydrophobicContact CG-CE2 4.13Å; E194-Y198 WeakPolarHBondContact O-CB 3.31Å; E194-Y198 WeakPolarHBondContact O-CD2 3.46Å; E194-Y198 PolarHBondContact O-N 3.05Å
195	V	91	Very high	86.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-55.3	-49.7	174.4	173.8	0	0	0	0	110.3	L190 T191 A197 Y198 V199 L237 A245 W246 M249	L190-V195 HydrophobicContact CB-CG2 3.84Å; L190-V195 HydrophobicContact CD1-CG2 4.04Å; T191-V195 PolarHBondContact O-N 2.86Å; V195-A197 PolarHBondContact O-N 2.84Å; V195-Y198 PolarHBondContact O-N 3.08Å; V195-V199 WeakPolarHBondContact O-CB 3.34Å; V195-V199 WeakPolarHBondContact O-CG2 3.35Å; V195-V199 PolarHBondContact O-N 3.06Å; V195-L237 HydrophobicContact CG1-CD2 4.47Å; V195-A245 HydrophobicContact CG2-CB 4.15Å; V195-W246 HydrophobicContact CG1-CD2 4.03Å; V195-W246 VanDerWaalsContact CG1-CE2 3.5Å; V195-W246 HydrophobicContact CG1-CE3 4.32Å; V195-W246 HydrophobicContact CG1-CH2 3.75Å; V195-W246 HydrophobicContact CG1-CZ2 3.36Å; V195-W246 HydrophobicContact CG1-CZ3 4.21Å; V195-M249 HydrophobicContact CB-CE 3.66Å; V195-M249 HydrophobicContact CG1-CE 3.63Å; V195-M249 HydrophobicContact CG2-CE 4.42Å
196	I	89.9	Confident	85.7	Confident	22 Å²	22	23.2 Å²	23.2	11%	0.113	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-46.6	177.1	-63.9	161.2	0	0	0	111	M158 V162 S192 V193 E194 V199 E200 M249 R253 T257	M158-I196 HydrophobicContact SD-CD1 4.06Å; V162-I196 HydrophobicContact CG2-CG2 4.13Å; S192-I196 WeakPolarHBondContact O-CD1 3.47Å; S192-I196 WeakPolarHBondContact O-CG1 3.11Å; S192-I196 PolarHBondContact O-N 3.36Å; V193-I196 PolarHBondContact O-N 2.96Å; E194-I196 VanDerWaalsContact C-N 3.32Å; E194-I196 PolarHBondContact O-N 3.42Å; I196-V199 PolarHBondContact O-N 2.93Å; I196-E200 PolarHBondContact O-N 3.11Å; I196-M249 HydrophobicContact CD1-CE 4.44Å; I196-M249 HydrophobicContact CD1-SD 4.19Å; I196-M249 HydrophobicContact CG1-CE 4.02Å; I196-M249 HydrophobicContact CG1-SD 4.04Å; I196-R253 HydrophobicContact CD1-CG 4.36Å; I196-T257 HydrophobicContact CG1-CG2 4.17Å
197	A	88.9	Confident	84.7	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-41.5	-177.8	0	0	0	0	0	112.9	V162 T165 V193 E194 V195 E200 A201	V162-A197 HydrophobicContact CB-CB 4.42Å; V162-A197 HydrophobicContact CG2-CB 3.96Å; T165-A197 HydrophobicContact CG2-CB 4.09Å; V193-A197 WeakPolarHBondContact O-CB 3.39Å; V193-A197 PolarHBondContact O-N 3.46Å; E194-A197 PolarHBondContact O-N 2.84Å; V195-A197 PolarHBondContact O-N 2.84Å; A197-E200 WeakPolarHBondContact O-CB 3.45Å; A197-E200 PolarHBondContact O-N 3.24Å; A197-A201 PolarHBondContact O-N 2.52Å
198	Y	91.6	Very high	84.1	Confident	13 Å²	13	26.2 Å²	26.2	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-73.5	-32.7	179.1	-68.1	-55.3	0	0	0	112.2	K133 T165 M169 I182 R185 T186 L190 E194 V195 E200 A201 L202	K133-Y198 PolarHBondContact NZ-OH 2.92Å; T165-Y198 HydrophobicContact CG2-CD1 4.39Å; T165-Y198 HydrophobicContact CG2-CE1 4.04Å; M169-Y198 HydrophobicContact CE-CD1 3.73Å; M169-Y198 HydrophobicContact CE-CE1 3.4Å; I182-Y198 HydrophobicContact CG2-CD1 4.37Å; R185-Y198 HydrophobicContact CB-CE1 3.83Å; R185-Y198 WeakPolarHBondContact CB-OH 3.41Å; T186-Y198 HydrophobicContact CG2-CD1 4.3Å; T186-Y198 HydrophobicContact CG2-CD2 3.68Å; T186-Y198 HydrophobicContact CG2-CE2 4.22Å; T186-Y198 HydrophobicContact CG2-CG 3.76Å; L190-Y198 HydrophobicContact CD2-CD2 4.29Å; L190-Y198 HydrophobicContact CD2-CE2 4.01Å; E194-Y198 HydrophobicContact CB-CD2 4.04Å; E194-Y198 HydrophobicContact CB-CE2 3.78Å; E194-Y198 HydrophobicContact CG-CE2 4.13Å; E194-Y198 WeakPolarHBondContact O-CB 3.31Å; E194-Y198 WeakPolarHBondContact O-CD2 3.46Å; E194-Y198 PolarHBondContact O-N 3.05Å; V195-Y198 PolarHBondContact O-N 3.08Å; Y198-E200 VanDerWaalsContact C-N 3.32Å; Y198-A201 PolarHBondContact O-N 2.86Å; Y198-L202 WeakPolarHBondContact O-CB 3.45Å; Y198-L202 WeakPolarHBondContact O-CG 3.45Å; Y198-L202 PolarHBondContact O-N 3.39Å
199	V	93.1	Very high	83.7	Confident	2 Å²	2	25 Å²	25	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-40.9	169.4	172.2	0	0	0	0	110.8	V195 I196 L202 S203 L237 W246 T257 K260 L261	V195-V199 WeakPolarHBondContact O-CB 3.34Å; V195-V199 WeakPolarHBondContact O-CG2 3.35Å; V195-V199 PolarHBondContact O-N 3.06Å; I196-V199 PolarHBondContact O-N 2.93Å; V199-L202 PolarHBondContact O-N 3.17Å; V199-S203 PolarHBondContact O-N 3.46Å; V199-L237 HydrophobicContact CG2-CD1 4.1Å; V199-W246 HydrophobicContact CG2-CH2 4.45Å; V199-T257 HydrophobicContact CB-CG2 4.07Å; V199-T257 HydrophobicContact CG1-CG2 4.12Å; V199-T257 HydrophobicContact CG2-CG2 3.93Å; V199-K260 HydrophobicContact CG1-CB 4.09Å; V199-K260 HydrophobicContact CG1-CD 4.41Å; V199-K260 HydrophobicContact CG1-CG 4.03Å; V199-L261 HydrophobicContact CG1-CB 4.13Å; V199-L261 HydrophobicContact CG2-CB 4.2Å; V199-L261 HydrophobicContact CG2-CD1 4.26Å
200	E	89.4	Confident	82.9	Confident	54 Å²	54	24.3 Å²	24.3	25%	0.252	14%	0.136	S	C	.	.	H	α-helix	trans	-63.5	-43.5	173.9	-167.3	62.3	-135.1	0	0	111.9	V162 L166 I196 A197 Y198 L202 S203 R204 K260	V162-E200 HydrophobicContact CG1-CB 4.23Å; V162-E200 HydrophobicContact CG1-CG 4.13Å; L166-E200 HydrophobicContact CD1-CB 4.4Å; L166-E200 HydrophobicContact CD1-CG 3.69Å; L166-E200 HydrophobicContact CD2-CG 4.36Å; I196-E200 PolarHBondContact O-N 3.11Å; A197-E200 WeakPolarHBondContact O-CB 3.45Å; A197-E200 PolarHBondContact O-N 3.24Å; Y198-E200 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 2.81Å; E200-S203 WeakPolarHBondContact O-CB 3.47Å; E200-S203 PolarHBondContact O-N 2.94Å; E200-R204 PolarHBondContact O-N 3.44Å; E200-R204 VanDerWaalsContact O-N 3.11Å; E200-K260 IonicContact OE1-NZ 3.3Å; E200-K260 PolarHBondContact OE1-NZ 2.96Å; E200-K260 WeakPolarHBondContact OE2-CE 3.32Å; E200-K260 IonicContact OE2-NZ 3.58Å; E200-K260 PolarHBondContact OE2-NZ 3.22Å
201	A	88.4	Confident	81.6	Confident	2 Å²	2	27.5 Å²	27.5	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-41.3	177.3	0	0	0	0	0	112	L166 M169 I182 A197 Y198 S203 R204 S205	L166-A201 HydrophobicContact CD2-CB 3.81Å; M169-A201 HydrophobicContact SD-CB 3.65Å; I182-A201 HydrophobicContact CD1-CB 3.88Å; I182-A201 HydrophobicContact CG1-CB 4.34Å; A197-A201 PolarHBondContact O-N 2.52Å; Y198-A201 PolarHBondContact O-N 2.86Å; A201-S203 VanDerWaalsContact C-N 3.33Å; A201-S203 PolarHBondContact O-N 3.36Å; A201-R204 PolarHBondContact O-N 3.19Å; A201-S205 PolarHBondContact O-N 2.96Å
202	L	89.4	Confident	80.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-41.9	173.9	-76	172.4	0	0	0	111.4	L179 I182 Y198 V199 E200 R204 S205 A206 L230 A233 V234 L237 L261 V264	L179-L202 HydrophobicContact CD2-CD2 3.63Å; I182-L202 HydrophobicContact CD1-CD2 3.91Å; I182-L202 HydrophobicContact CD1-CG 4.21Å; I182-L202 HydrophobicContact CG2-CD2 3.97Å; I182-L202 HydrophobicContact CG2-CG 4.08Å; Y198-L202 WeakPolarHBondContact O-CB 3.45Å; Y198-L202 WeakPolarHBondContact O-CG 3.45Å; Y198-L202 PolarHBondContact O-N 3.39Å; V199-L202 PolarHBondContact O-N 3.17Å; E200-L202 PolarHBondContact O-N 2.81Å; L202-R204 VanDerWaalsContact C-N 3.33Å; L202-R204 PolarHBondContact O-N 3.44Å; L202-S205 WeakPolarHBondContact O-CB 3.44Å; L202-S205 PolarHBondContact O-N 3.44Å; L202-S205 PolarHBondContact O-OG 3.14Å; L202-A206 PolarHBondContact O-N 3.47Å; L202-L230 HydrophobicContact CD2-CD1 4.2Å; L202-A233 HydrophobicContact CD2-CB 4.04Å; L202-V234 HydrophobicContact CD1-CG2 4.29Å; L202-L237 HydrophobicContact CD1-CD1 3.52Å; L202-L261 HydrophobicContact CD1-CD1 4.04Å; L202-V264 HydrophobicContact CB-CG1 4.06Å
203	S	87.6	Confident	78.4	Confident	33 Å²	33	31.5 Å²	31.5	23%	0.231	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-39.4	176.1	-174.1	0	0	0	0	112.8	V199 E200 A201 S205 A206 S207 K260	V199-S203 PolarHBondContact O-N 3.46Å; E200-S203 WeakPolarHBondContact O-CB 3.47Å; E200-S203 PolarHBondContact O-N 2.94Å; A201-S203 VanDerWaalsContact C-N 3.33Å; A201-S203 PolarHBondContact O-N 3.36Å; S203-S205 VanDerWaalsContact C-N 3.33Å; S203-S205 PolarHBondContact O-N 3.35Å; S203-A206 WeakPolarHBondContact O-CB 3.43Å; S203-A206 PolarHBondContact O-N 2.9Å; S203-S207 PolarHBondContact O-N 3.23Å; S203-K260 VanDerWaalsContact CB-CE 3.41Å; S203-K260 VanDerWaalsContact OG-CE 3.28Å; S203-K260 WeakPolarHBondContact OG-CE 3.42Å
204	R	83	Confident	76.7	Confident	121 Å²	121	39.5 Å²	39.5	46%	0.457	22%	0.218	S	C	.	.	H	α-helix	trans	-67.3	-32.4	172.7	-66.3	-168.2	-176.7	-175.2	-2.9	113.2	E200 A201 L202 A206 S207 T208	E200-R204 PolarHBondContact O-N 3.44Å; E200-R204 VanDerWaalsContact O-N 3.11Å; A201-R204 PolarHBondContact O-N 3.19Å; L202-R204 VanDerWaalsContact C-N 3.33Å; L202-R204 PolarHBondContact O-N 3.44Å; R204-A206 VanDerWaalsContact C-N 3.33Å; R204-S207 PolarHBondContact O-OG 3.47Å; R204-T208 PolarHBondContact O-N 3.07Å; R204-T208 PolarHBondContact O-OG1 3.1Å
205	S	80.3	Confident	74.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-35.4	175.2	80.6	0	0	0	0	111.9	L179 A201 L202 S203 T208 L209	L179-S205 WeakPolarHBondContact CD2-OG 3.38Å; A201-S205 PolarHBondContact O-N 2.96Å; L202-S205 WeakPolarHBondContact O-CB 3.44Å; L202-S205 PolarHBondContact O-N 3.44Å; L202-S205 PolarHBondContact O-OG 3.14Å; S203-S205 VanDerWaalsContact C-N 3.33Å; S203-S205 PolarHBondContact O-N 3.35Å; S205-T208 WeakPolarHBondContact CA-OG1 3.35Å; S205-T208 PolarHBondContact O-N 3.21Å; S205-T208 PolarHBondContact O-OG1 3.38Å; S205-L209 WeakPolarHBondContact O-CB 3.03Å; S205-L209 WeakPolarHBondContact O-CD1 3.48Å; S205-L209 VanDerWaalsContact O-CG 3.24Å; S205-L209 WeakPolarHBondContact O-CG 2.93Å; S205-L209 PolarHBondContact O-N 2.94Å
206	A	74.4	Confident	72.4	Confident	3 Å²	3	53.6 Å²	53.6	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-44.4	178.5	0	0	0	0	0	112.5	L202 S203 R204 T208 L209 A210 V264 S268	L202-A206 PolarHBondContact O-N 3.47Å; S203-A206 WeakPolarHBondContact O-CB 3.43Å; S203-A206 PolarHBondContact O-N 2.9Å; R204-A206 VanDerWaalsContact C-N 3.33Å; A206-T208 VanDerWaalsContact C-N 3.32Å; A206-T208 PolarHBondContact O-N 2.94Å; A206-L209 WeakPolarHBondContact O-CB 2.97Å; A206-L209 PolarHBondContact O-N 3.47Å; A206-A210 PolarHBondContact O-N 3.01Å; A206-A210 VanDerWaalsContact O-N 3.11Å; A206-V264 HydrophobicContact CB-CG1 4.18Å; A206-S268 WeakPolarHBondContact CB-OG 3.44Å
207	S	68.8	Low	70.6	Confident	74 Å²	74	59.5 Å²	59.5	52%	0.517	32%	0.319	S	S	.	.	H	α-helix	trans	-66.6	-33.7	179	62.3	0	0	0	0	112.7	S203 R204 A211	S203-S207 PolarHBondContact O-N 3.23Å; R204-S207 PolarHBondContact O-OG 3.47Å; S207-A211 PolarHBondContact O-N 3.49Å
208	T	69.4	Low	69	Low	51 Å²	51	60.7 Å²	60.7	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-75.4	-36.5	174.4	37.1	0	0	0	0	112.6	R204 S205 A206 A210 A211 V212	R204-T208 PolarHBondContact O-N 3.07Å; R204-T208 PolarHBondContact O-OG1 3.1Å; S205-T208 WeakPolarHBondContact CA-OG1 3.35Å; S205-T208 PolarHBondContact O-N 3.21Å; S205-T208 PolarHBondContact O-OG1 3.38Å; A206-T208 VanDerWaalsContact C-N 3.32Å; A206-T208 PolarHBondContact O-N 2.94Å; T208-A210 VanDerWaalsContact C-N 3.28Å; T208-A210 PolarHBondContact O-N 3.16Å; T208-A211 PolarHBondContact O-N 2.95Å; T208-V212 WeakPolarHBondContact O-CB 3.37Å; T208-V212 VanDerWaalsContact O-CG2 3.27Å; T208-V212 WeakPolarHBondContact O-CG2 3.46Å; T208-V212 PolarHBondContact O-N 3.47Å
209	L	67.4	Low	67.7	Low	7 Å²	7	67.5 Å²	67.5	4%	0.037	36%	0.359	C	S	.	.	H	α-helix	trans	-57.4	-40.9	171.3	-77.7	157	0	0	0	112	P175 L179 S205 A206 A211 T226 L272	P175-L209 HydrophobicContact CB-CD2 3.69Å; P175-L209 HydrophobicContact CB-CG 3.76Å; P175-L209 HydrophobicContact CG-CD2 4.43Å; P175-L209 HydrophobicContact CG-CG 4.45Å; L179-L209 HydrophobicContact CD1-CD1 4.15Å; S205-L209 WeakPolarHBondContact O-CB 3.03Å; S205-L209 WeakPolarHBondContact O-CD1 3.48Å; S205-L209 VanDerWaalsContact O-CG 3.24Å; S205-L209 WeakPolarHBondContact O-CG 2.93Å; S205-L209 PolarHBondContact O-N 2.94Å; A206-L209 WeakPolarHBondContact O-CB 2.97Å; A206-L209 PolarHBondContact O-N 3.47Å; L209-A211 PolarHBondContact O-N 3.12Å; L209-T226 HydrophobicContact CD2-CG2 3.63Å; L209-L272 HydrophobicContact CD2-CD2 4.16Å
210	A	61.3	Low	66.3	Low	47 Å²	47	70.5 Å²	70.5	39%	0.388	38%	0.379	S	S	.	.	H	α-helix	trans	-66.9	-24.4	176.1	0	0	0	0	0	113.5	A206 T208	A206-A210 PolarHBondContact O-N 3.01Å; A206-A210 VanDerWaalsContact O-N 3.11Å; T208-A210 VanDerWaalsContact C-N 3.28Å; T208-A210 PolarHBondContact O-N 3.16Å
211	A	56.6	Low	65.4	Low	67 Å²	67	72 Å²	72	55%	0.554	40%	0.395	S	S	*	.	H	α-helix	trans	-94.7	-37.5	-176	0	0	0	0	0	114	S207 T208 L209	S207-A211 PolarHBondContact O-N 3.49Å; T208-A211 PolarHBondContact O-N 2.95Å; L209-A211 PolarHBondContact O-N 3.12Å
212	V	52.1	Low	64.8	Low	80 Å²	80	73.2 Å²	73.2	49%	0.485	41%	0.405	S	S	.	.	H	α-helix	trans	-77.9	-24.3	-168	170.6	0	0	0	0	113.8	P175 T208	P175-V212 HydrophobicContact CG-CB 4.25Å; P175-V212 HydrophobicContact CG-CG1 4.46Å; P175-V212 HydrophobicContact CG-CG2 4.05Å; T208-V212 WeakPolarHBondContact O-CB 3.37Å; T208-V212 VanDerWaalsContact O-CG2 3.27Å; T208-V212 WeakPolarHBondContact O-CG2 3.46Å; T208-V212 PolarHBondContact O-N 3.47Å
213	E	52.8	Low	64.2	Low	31 Å²	31	73.3 Å²	73.3	15%	0.145	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-100.6	8.3	-173.9	-74.7	-172.4	168.2	0	0	115.5	D215 N275	E213-D215 PolarHBondContact O-N 2.99Å; E213-N275 WeakPolarHBondContact CB-ND2 3.33Å; E213-N275 PolarHBondContact OE2-ND2 3.04Å
214	K	48.8	Very low	64	Low	183 Å²	183	75 Å²	75	80%	0.796	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-64.2	-19.4	169.4	-91	-177	177.2	175.3	0	113.5
215	D	43.8	Very low	64	Low	148 Å²	148	71.6 Å²	71.6	79%	0.791	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-102.4	-8.5	-174.1	-90.5	-20.8	0	0	0	115.3	E213	E213-D215 PolarHBondContact O-N 2.99Å
216	Y	43.5	Very low	64.3	Low	187 Å²	187	71.6 Å²	71.6	73%	0.733	41%	0.407	S	S	*	.	S	Bend	trans	-135.3	125	-178.2	-85.5	-93.1	0	0	0	111.5	A218	Y216-A218 VanDerWaalsContact C-N 3.28Å; Y216-A218 PolarHBondContact O-N 3.1Å
217	T	52.3	Low	64.9	Low	145 Å²	145	71.4 Å²	71.4	89%	0.89	41%	0.405	S	S	*	.			trans	-63	90.6	164.1	49.6	0	0	0	0	108.7
218	A	55.3	Low	65.9	Low	26 Å²	26	70.7 Å²	70.7	22%	0.215	40%	0.4	C	S	.	.			trans	-64.8	135.6	-177.2	0	0	0	0	0	110.7	Y216 V223	Y216-A218 VanDerWaalsContact C-N 3.28Å; Y216-A218 PolarHBondContact O-N 3.1Å; A218-V223 HydrophobicContact CB-CG2 4.24Å
219	K	63	Low	66.9	Low	157 Å²	157	70.5 Å²	70.5	68%	0.683	40%	0.395	S	S	*	.			trans	-68.1	145.3	172.9	-69	-178.6	179.7	178.1	0	109.2	S221 A222	K219-S221 PolarHBondContact O-N 3.35Å; K219-A222 WeakPolarHBondContact O-CB 3.4Å; K219-A222 PolarHBondContact O-N 3.26Å
220	P	64.9	Low	68.1	Low	65 Å²	65	70.2 Å²	70.2	42%	0.422	39%	0.394	S	S	.	.	H	α-helix	trans	-52.7	-30.4	178.2	-25.3	31.3	0	0	0	114.4	A222 V223 N224	P220-A222 VanDerWaalsContact C-N 3.34Å; P220-A222 PolarHBondContact O-N 2.97Å; P220-V223 PolarHBondContact O-N 3.28Å; P220-N224 PolarHBondContact O-N 2.95Å; P220-N224 VanDerWaalsContact O-N 3.09Å
221	S	70.8	Confident	69.6	Low	84 Å²	84	68.1 Å²	68.1	59%	0.587	38%	0.376	S	S	*	.	H	α-helix	trans	-66.2	-31.6	176.7	59.7	0	0	0	0	113.7	K219 S225	K219-S221 PolarHBondContact O-N 3.35Å; S221-S225 WeakPolarHBondContact O-CB 3.41Å; S221-S225 PolarHBondContact O-N 2.94Å; S221-S225 VanDerWaalsContact O-N 3.17Å
222	A	74.9	Confident	71.4	Confident	29 Å²	29	70.1 Å²	70.1	24%	0.24	37%	0.372	C	S	.	.	H	α-helix	trans	-74	-42.4	178.1	0	0	0	0	0	110.9	K219 P220 S225 T226	K219-A222 WeakPolarHBondContact O-CB 3.4Å; K219-A222 PolarHBondContact O-N 3.26Å; P220-A222 VanDerWaalsContact C-N 3.34Å; P220-A222 PolarHBondContact O-N 2.97Å; A222-S225 WeakPolarHBondContact O-CB 3.39Å; A222-S225 PolarHBondContact O-N 2.97Å; A222-T226 PolarHBondContact O-N 2.84Å; A222-T226 PolarHBondContact O-OG1 3.07Å
223	V	76.3	Confident	73.3	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-46.5	176.6	176.4	0	0	0	0	111.2	A218 P220 S225 T226 L227 L272 L282	A218-V223 HydrophobicContact CB-CG2 4.24Å; P220-V223 PolarHBondContact O-N 3.28Å; V223-S225 VanDerWaalsContact C-N 3.3Å; V223-S225 PolarHBondContact O-N 3.48Å; V223-T226 PolarHBondContact O-N 3.42Å; V223-L227 VanDerWaalsContact O-CB 3.28Å; V223-L227 WeakPolarHBondContact O-CB 3.36Å; V223-L227 PolarHBondContact O-N 3.01Å; V223-L272 HydrophobicContact CG1-CB 4.17Å; V223-L282 HydrophobicContact CG1-CD1 4.07Å
224	N	83.9	Confident	75.3	Confident	69 Å²	69	64.8 Å²	64.8	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-58.6	-43	175.4	-172.6	15.7	0	0	0	111.6	P220 L227 S228 L282	P220-N224 PolarHBondContact O-N 2.95Å; P220-N224 VanDerWaalsContact O-N 3.09Å; N224-L227 PolarHBondContact O-N 3.16Å; N224-S228 VanDerWaalsContact O-CB 3.23Å; N224-S228 WeakPolarHBondContact O-CB 3.43Å; N224-S228 PolarHBondContact O-N 2.93Å; N224-L282 HydrophobicContact CB-CD2 4.36Å
225	S	84.1	Confident	77.5	Confident	49 Å²	49	56.5 Å²	56.5	34%	0.343	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-45.1	176.1	-177.5	0	0	0	0	112.7	S221 A222 V223 S228 K229	S221-S225 WeakPolarHBondContact O-CB 3.41Å; S221-S225 PolarHBondContact O-N 2.94Å; S221-S225 VanDerWaalsContact O-N 3.17Å; A222-S225 WeakPolarHBondContact O-CB 3.39Å; A222-S225 PolarHBondContact O-N 2.97Å; V223-S225 VanDerWaalsContact C-N 3.3Å; V223-S225 PolarHBondContact O-N 3.48Å; S225-S228 PolarHBondContact O-N 3.19Å; S225-K229 WeakPolarHBondContact O-CG 3.45Å; S225-K229 PolarHBondContact O-N 2.01Å; S225-K229 VanDerWaalsContact O-N 3.13Å
226	T	85.6	Confident	79.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-46.2	177.4	-55.3	0	0	0	0	111.5	Q176 L179 L209 A222 V223 S228 K229 L230 L272	Q176-T226 HydrophobicContact CG-CG2 4.44Å; Q176-T226 WeakPolarHBondContact CG-OG1 3.48Å; Q176-T226 PolarHBondContact NE2-OG1 3.48Å; Q176-T226 VanDerWaalsContact NE2-OG1 3.16Å; L179-T226 HydrophobicContact CD1-CG2 3.86Å; L209-T226 HydrophobicContact CD2-CG2 3.63Å; A222-T226 PolarHBondContact O-N 2.84Å; A222-T226 PolarHBondContact O-OG1 3.07Å; V223-T226 PolarHBondContact O-N 3.42Å; T226-S228 VanDerWaalsContact C-N 3.31Å; T226-S228 PolarHBondContact O-N 2.84Å; T226-K229 PolarHBondContact O-N 2.96Å; T226-L230 PolarHBondContact O-N 3.21Å; T226-L272 HydrophobicContact CG2-CD1 4.11Å; T226-L272 HydrophobicContact CG2-CD2 4.23Å
227	L	87.8	Confident	82.2	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.8	-35.8	-180	-166.7	66.9	0	0	0	111.4	V223 N224 L230 V231 A269 L272 I284 L291 L293	V223-L227 VanDerWaalsContact O-CB 3.28Å; V223-L227 WeakPolarHBondContact O-CB 3.36Å; V223-L227 PolarHBondContact O-N 3.01Å; N224-L227 PolarHBondContact O-N 3.16Å; L227-L230 HydrophobicContact CD1-CD2 4.29Å; L227-L230 PolarHBondContact O-N 2.92Å; L227-V231 WeakPolarHBondContact O-CB 3.36Å; L227-V231 WeakPolarHBondContact O-CG2 3.36Å; L227-V231 PolarHBondContact O-N 3.33Å; L227-A269 HydrophobicContact CD1-CB 4Å; L227-L272 HydrophobicContact CB-CD1 4.43Å; L227-L272 HydrophobicContact CD1-CD1 4.1Å; L227-I284 HydrophobicContact CB-CD1 3.62Å; L227-I284 HydrophobicContact CD2-CD1 3.65Å; L227-I284 HydrophobicContact CG-CD1 3.54Å; L227-L291 HydrophobicContact CD1-CD1 4.31Å; L227-L291 HydrophobicContact CD1-CD2 4.04Å; L227-L291 HydrophobicContact CD2-CD2 3.66Å; L227-L291 HydrophobicContact CG-CD2 4.04Å; L227-L293 HydrophobicContact CD2-CB 4.46Å; L227-L293 HydrophobicContact CD2-CD2 4.34Å
228	S	90.2	Very high	84.2	Confident	58 Å²	58	34.1 Å²	34.1	41%	0.406	19%	0.194	S	C	.	.	H	α-helix	trans	-64.7	-40.1	174.4	179	0	0	0	0	112.1	N224 S225 T226 K232	N224-S228 VanDerWaalsContact O-CB 3.23Å; N224-S228 WeakPolarHBondContact O-CB 3.43Å; N224-S228 PolarHBondContact O-N 2.93Å; S225-S228 PolarHBondContact O-N 3.19Å; T226-S228 VanDerWaalsContact C-N 3.31Å; T226-S228 PolarHBondContact O-N 2.84Å; S228-K232 WeakPolarHBondContact O-CB 3.44Å; S228-K232 PolarHBondContact O-N 2.04Å
229	K	89.9	Confident	86	Confident	48 Å²	48	35.6 Å²	35.6	21%	0.209	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-40.8	174.3	-67.2	165.6	-171.8	168.7	0	112	L179 R180 S225 T226 K232 A233	L179-K229 HydrophobicContact CB-CB 4.06Å; R180-K229 HydrophobicContact CB-CD 4.45Å; S225-K229 WeakPolarHBondContact O-CG 3.45Å; S225-K229 PolarHBondContact O-N 2.01Å; S225-K229 VanDerWaalsContact O-N 3.13Å; T226-K229 PolarHBondContact O-N 2.96Å; K229-K232 PolarHBondContact O-N 2.77Å; K229-A233 WeakPolarHBondContact O-CB 3.03Å; K229-A233 PolarHBondContact O-N 3.29Å
230	L	91.4	Very high	87.1	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-52.3	174.8	178.1	67.9	0	0	0	110.9	L179 L202 T226 L227 K232 A233 V234	L179-L230 HydrophobicContact CD1-CB 4.27Å; L179-L230 HydrophobicContact CD2-CD1 4.01Å; L202-L230 HydrophobicContact CD2-CD1 4.2Å; T226-L230 PolarHBondContact O-N 3.21Å; L227-L230 HydrophobicContact CD1-CD2 4.29Å; L227-L230 PolarHBondContact O-N 2.92Å; L230-K232 VanDerWaalsContact C-N 3.28Å; L230-K232 PolarHBondContact O-N 2.72Å; L230-A233 PolarHBondContact O-N 2.02Å; L230-V234 HydrophobicContact CD1-CG2 4.16Å; L230-V234 HydrophobicContact CG-CG2 4.39Å; L230-V234 WeakPolarHBondContact O-CG2 3.4Å; L230-V234 PolarHBondContact O-N 2.76Å
231	V	93.7	Very high	88.1	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.018	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-42.3	178	163.3	0	0	0	0	110.7	L227 V234 N235 I284 A286 L289 L291	L227-V231 WeakPolarHBondContact O-CB 3.36Å; L227-V231 WeakPolarHBondContact O-CG2 3.36Å; L227-V231 PolarHBondContact O-N 3.33Å; V231-V234 PolarHBondContact O-N 3.42Å; V231-N235 WeakPolarHBondContact O-CB 3.32Å; V231-N235 PolarHBondContact O-N 3.39Å; V231-I284 HydrophobicContact CB-CG2 3.89Å; V231-I284 HydrophobicContact CG1-CG2 3.64Å; V231-I284 HydrophobicContact CG2-CB 4.31Å; V231-I284 HydrophobicContact CG2-CG2 4.03Å; V231-A286 HydrophobicContact CG1-CB 3.87Å; V231-L289 HydrophobicContact CB-CD2 4.29Å; V231-L289 HydrophobicContact CG1-CD2 4.03Å; V231-L289 HydrophobicContact CG2-CD2 4.17Å; V231-L291 HydrophobicContact CG2-CB 3.97Å; V231-L291 HydrophobicContact CG2-CD1 4.09Å
232	K	93.3	Very high	88.9	Confident	108 Å²	108	29.5 Å²	29.5	47%	0.47	16%	0.163	S	C	.	.	H	α-helix	trans	-62.2	-47	176	-172.7	174.9	-178.5	180	0	112.4	A183 S228 K229 L230 V234 N235 N236	A183-K232 HydrophobicContact CB-CB 4.47Å; A183-K232 HydrophobicContact CB-CD 4.37Å; A183-K232 HydrophobicContact CB-CG 4.29Å; S228-K232 WeakPolarHBondContact O-CB 3.44Å; S228-K232 PolarHBondContact O-N 2.04Å; K229-K232 PolarHBondContact O-N 2.77Å; L230-K232 VanDerWaalsContact C-N 3.28Å; L230-K232 PolarHBondContact O-N 2.72Å; K232-V234 VanDerWaalsContact C-N 3.34Å; K232-V234 PolarHBondContact O-N 2.99Å; K232-N235 PolarHBondContact O-N 3.05Å; K232-N236 PolarHBondContact O-N 2.88Å; K232-N236 VanDerWaalsContact O-N 3.1Å; K232-N236 PolarHBondContact O-ND2 3.43Å; K232-N236 PolarHBondContact O-OD1 3.33Å
233	A	92.8	Very high	89.5	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-40.9	178.6	0	0	0	0	0	112.5	I182 A183 L202 K229 L230 L237	I182-A233 HydrophobicContact CG2-CB 3.98Å; A183-A233 HydrophobicContact CB-CB 4.09Å; L202-A233 HydrophobicContact CD2-CB 4.04Å; K229-A233 WeakPolarHBondContact O-CB 3.03Å; K229-A233 PolarHBondContact O-N 3.29Å; L230-A233 PolarHBondContact O-N 2.02Å; A233-L237 WeakPolarHBondContact O-CG 3.09Å
234	V	94.8	Very high	90	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-71.4	-43.5	178.9	175.1	0	0	0	0	110.6	L202 L230 V231 K232 N236 L237 V238 L261 V265 L289 Y336	L202-V234 HydrophobicContact CD1-CG2 4.29Å; L230-V234 HydrophobicContact CD1-CG2 4.16Å; L230-V234 HydrophobicContact CG-CG2 4.39Å; L230-V234 WeakPolarHBondContact O-CG2 3.4Å; L230-V234 PolarHBondContact O-N 2.76Å; V231-V234 PolarHBondContact O-N 3.42Å; K232-V234 VanDerWaalsContact C-N 3.34Å; K232-V234 PolarHBondContact O-N 2.99Å; V234-N236 VanDerWaalsContact C-N 3.34Å; V234-N236 PolarHBondContact O-N 2.74Å; V234-L237 WeakPolarHBondContact O-CB 3.38Å; V234-L237 PolarHBondContact O-N 3.47Å; V234-V238 WeakPolarHBondContact O-CG2 3.47Å; V234-V238 PolarHBondContact O-N 3.43Å; V234-L261 HydrophobicContact CG1-CD1 4.2Å; V234-L261 HydrophobicContact CG2-CD1 4.19Å; V234-V265 HydrophobicContact CB-CG2 4.26Å; V234-V265 HydrophobicContact CG1-CG2 3.74Å; V234-V265 HydrophobicContact CG2-CG2 3.56Å; V234-L289 HydrophobicContact CB-CD2 4.02Å; V234-L289 HydrophobicContact CG1-CD2 3.78Å; V234-Y336 HydrophobicContact CG1-CE1 4.32Å
235	N	94.6	Very high	90.2	Very high	8 Å²	8	29 Å²	29	4%	0.043	16%	0.159	C	C	.	.	H	α-helix	trans	-53.4	-52.3	177	-176.8	87.1	0	0	0	110.5	V231 K232 L237 V238 E239 A286 S287 E288 L289	V231-N235 WeakPolarHBondContact O-CB 3.32Å; V231-N235 PolarHBondContact O-N 3.39Å; K232-N235 PolarHBondContact O-N 3.05Å; N235-L237 PolarHBondContact O-N 2.96Å; N235-L237 VanDerWaalsContact O-N 3.12Å; N235-V238 CarbonylContact O-C 3.59Å; N235-V238 WeakPolarHBondContact O-CG2 3.44Å; N235-V238 PolarHBondContact O-N 3.02Å; N235-E239 PolarHBondContact ND2-OE1 3Å; N235-E239 WeakPolarHBondContact O-CG 3Å; N235-E239 PolarHBondContact O-N 2.88Å; N235-E239 VanDerWaalsContact O-N 3.1Å; N235-A286 HydrophobicContact CB-CB 3.83Å; N235-A286 VanDerWaalsContact CG-CB 3.49Å; N235-A286 WeakPolarHBondContact OD1-CB 3.29Å; N235-S287 PolarHBondContact ND2-OG 3.43Å; N235-S287 PolarHBondContact OD1-N 2.98Å; N235-S287 PolarHBondContact OD1-OG 2.85Å; N235-E288 PolarHBondContact OD1-N 3.47Å; N235-L289 HydrophobicContact CB-CB 4.42Å; N235-L289 PolarHBondContact OD1-N 3.44Å
236	N	93.1	Very high	90.5	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.053	14%	0.142	C	C	.	.	H	α-helix	trans	-54	-33	177.2	-65.6	-4.8	0	0	0	113.4	A183 T186 S187 K232 V234	A183-N236 PolarHBondContact O-ND2 2.99Å; T186-N236 WeakPolarHBondContact O-CB 3.34Å; T186-N236 PolarHBondContact OG1-ND2 3.38Å; S187-N236 PolarHBondContact N-ND2 3.27Å; K232-N236 PolarHBondContact O-N 2.88Å; K232-N236 VanDerWaalsContact O-N 3.1Å; K232-N236 PolarHBondContact O-ND2 3.43Å; K232-N236 PolarHBondContact O-OD1 3.33Å; V234-N236 VanDerWaalsContact C-N 3.34Å; V234-N236 PolarHBondContact O-N 2.74Å
237	L	94.3	Very high	90.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-78.2	-19.9	179.2	-68	169.1	0	0	0	113.4	T186 L190 V195 V199 L202 A233 V234 N235 W246 L261	T186-L237 HydrophobicContact CG2-CD2 3.97Å; T186-L237 HydrophobicContact CG2-CG 4.3Å; L190-L237 HydrophobicContact CD1-CD2 3.6Å; V195-L237 HydrophobicContact CG1-CD2 4.47Å; V199-L237 HydrophobicContact CG2-CD1 4.1Å; L202-L237 HydrophobicContact CD1-CD1 3.52Å; A233-L237 WeakPolarHBondContact O-CG 3.09Å; V234-L237 WeakPolarHBondContact O-CB 3.38Å; V234-L237 PolarHBondContact O-N 3.47Å; N235-L237 PolarHBondContact O-N 2.96Å; N235-L237 VanDerWaalsContact O-N 3.12Å; L237-W246 PolarHBondContact O-NE1 3.11Å; L237-L261 HydrophobicContact CB-CD2 4.43Å; L237-L261 HydrophobicContact CD1-CD1 4.14Å
238	V	94.2	Very high	90.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-115.1	12.6	-176.2	-57	0	0	0	0	113	V234 N235 L261 E288 S338 I339	V234-V238 WeakPolarHBondContact O-CG2 3.47Å; V234-V238 PolarHBondContact O-N 3.43Å; N235-V238 CarbonylContact O-C 3.59Å; N235-V238 WeakPolarHBondContact O-CG2 3.44Å; N235-V238 PolarHBondContact O-N 3.02Å; V238-L261 HydrophobicContact CG1-CD2 3.78Å; V238-E288 HydrophobicContact CG2-CB 4.12Å; V238-S338 WeakPolarHBondContact O-CB 3.37Å; V238-I339 HydrophobicContact CB-CG2 3.77Å; V238-I339 HydrophobicContact CG1-CG2 3.71Å
239	E	92.1	Very high	90.4	Very high	57 Å²	57	33.2 Å²	33.2	27%	0.266	17%	0.165	S	C	.	.			trans	-60.9	147.3	172.7	-71.5	-172.9	157.1	0	0	111.4	N235 D241 E242 L243 E288	N235-E239 PolarHBondContact ND2-OE1 3Å; N235-E239 WeakPolarHBondContact O-CG 3Å; N235-E239 PolarHBondContact O-N 2.88Å; N235-E239 VanDerWaalsContact O-N 3.1Å; E239-D241 PolarHBondContact O-N 2.94Å; E239-E242 HydrophobicContact CB-CG 4.43Å; E239-E242 PolarHBondContact O-N 3.43Å; E239-L243 PolarHBondContact O-N 2.69Å; E239-E288 HydrophobicContact CG-CG 4.45Å
240	T	87	Confident	90.3	Very high	69 Å²	69	36.8 Å²	36.8	42%	0.423	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-55	-37.8	-178.8	50.1	0	0	0	0	112.5	E242 L243 S338	T240-E242 PolarHBondContact O-N 3.11Å; T240-L243 WeakPolarHBondContact O-CB 3.36Å; T240-L243 WeakPolarHBondContact O-CG 3.46Å; T240-L243 PolarHBondContact O-N 3.39Å; T240-S338 WeakPolarHBondContact CG2-OG 3.42Å
241	D	85.1	Confident	90	Very high	101 Å²	101	41.1 Å²	41.1	54%	0.54	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-68.8	-22.3	-179.8	-68.1	-5.8	0	0	0	112.4	R124 E239	R124-D241 PolarHBondContact NH2-O 3.33Å; E239-D241 PolarHBondContact O-N 2.94Å
242	E	88.8	Confident	89.6	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.037	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-88.4	-11.7	178.2	-60.9	-49.8	142.4	0	0	113.7	R124 E189 L190 E239 T240 V244 A245 W246	R124-E242 IonicContact CZ-OE2 2.64Å; R124-E242 IonicContact NH2-OE1 3.53Å; R124-E242 IonicContact NH2-OE2 3.42Å; R124-E242 PolarHBondContact NH2-OE2 3.04Å; E189-E242 WeakPolarHBondContact CA-OE1 3.46Å; L190-E242 WeakPolarHBondContact CB-OE2 3.5Å; L190-E242 PolarHBondContact N-OE2 3.44Å; E239-E242 HydrophobicContact CB-CG 4.43Å; E239-E242 PolarHBondContact O-N 3.43Å; T240-E242 PolarHBondContact O-N 3.11Å; E242-V244 PolarHBondContact O-N 3.43Å; E242-V244 VanDerWaalsContact O-N 3.09Å; E242-A245 WeakPolarHBondContact O-CB 3.01Å; E242-A245 PolarHBondContact O-N 2.92Å; E242-W246 PolarHBondContact O-N 2.85Å
243	L	85.9	Confident	89.3	Confident	18 Å²	18	45.9 Å²	45.9	9%	0.094	22%	0.221	C	C	.	.	H	α-helix	trans	-56.5	-28.9	175.4	-65.6	176.1	0	0	0	112.9	E239 T240 A245 W246 N247 S338 I342	E239-L243 PolarHBondContact O-N 2.69Å; T240-L243 WeakPolarHBondContact O-CB 3.36Å; T240-L243 WeakPolarHBondContact O-CG 3.46Å; T240-L243 PolarHBondContact O-N 3.39Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 2.9Å; L243-W246 PolarHBondContact O-N 3.4Å; L243-N247 WeakPolarHBondContact O-CB 3.46Å; L243-N247 VanDerWaalsContact O-CG 3.27Å; L243-N247 PolarHBondContact O-N 3.37Å; L243-N247 PolarHBondContact O-ND2 3.43Å; L243-S338 WeakPolarHBondContact CD2-O 3.43Å; L243-I342 HydrophobicContact CD2-CD1 3.62Å; L243-I342 HydrophobicContact CD2-CG1 3.42Å; L243-I342 VanDerWaalsContact CD2-CG1 3.42Å
244	V	87.1	Confident	89.2	Confident	70 Å²	70	47.4 Å²	47.4	42%	0.424	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-37.7	174.4	177.6	0	0	0	0	111.6	R124 E242 R248	R124-V244 VanDerWaalsContact NH1-CB 3.27Å; E242-V244 PolarHBondContact O-N 3.43Å; E242-V244 VanDerWaalsContact O-N 3.09Å; V244-R248 WeakPolarHBondContact O-CG 3.46Å; V244-R248 PolarHBondContact O-N 3.39Å
245	A	87.8	Confident	89	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69	-38.6	176.1	0	0	0	0	0	111.5	L190 S192 V195 E242 L243	L190-A245 WeakPolarHBondContact O-CB 3.4Å; S192-A245 WeakPolarHBondContact CB-O 3.24Å; S192-A245 PolarHBondContact OG-O 3.3Å; V195-A245 HydrophobicContact CG2-CB 4.15Å; E242-A245 WeakPolarHBondContact O-CB 3.01Å; E242-A245 PolarHBondContact O-N 2.92Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 2.9Å
246	W	91.6	Very high	88.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-44.6	173.8	-71.4	98.6	0	0	0	112.5	V195 V199 L237 E242 L243 R248 M249 R254 T257 I258 L261 I342	V195-W246 HydrophobicContact CG1-CD2 4.03Å; V195-W246 VanDerWaalsContact CG1-CE2 3.5Å; V195-W246 HydrophobicContact CG1-CE3 4.32Å; V195-W246 HydrophobicContact CG1-CH2 3.75Å; V195-W246 HydrophobicContact CG1-CZ2 3.36Å; V195-W246 HydrophobicContact CG1-CZ3 4.21Å; V199-W246 HydrophobicContact CG2-CH2 4.45Å; L237-W246 PolarHBondContact O-NE1 3.11Å; E242-W246 PolarHBondContact O-N 2.85Å; L243-W246 PolarHBondContact O-N 3.4Å; W246-R248 PolarHBondContact O-N 3.34Å; W246-M249 HydrophobicContact CD2-CE 4.29Å; W246-M249 HydrophobicContact CE3-CE 4.02Å; W246-M249 HydrophobicContact CE3-SD 4.08Å; W246-M249 WeakPolarHBondContact O-CB 3.48Å; W246-M249 PolarHBondContact O-N 2.93Å; W246-R254 HydrophobicContact CE3-CG 4.13Å; W246-R254 VanDerWaalsContact O-CD 3.28Å; W246-R254 WeakPolarHBondContact O-CD 3.16Å; W246-T257 HydrophobicContact CH2-CG2 3.81Å; W246-T257 HydrophobicContact CZ3-CG2 3.73Å; W246-I258 HydrophobicContact CH2-CB 4.24Å; W246-I258 HydrophobicContact CH2-CD1 3.96Å; W246-I258 HydrophobicContact CZ2-CD1 4.3Å; W246-I258 HydrophobicContact CZ3-CB 3.91Å; W246-I258 HydrophobicContact CZ3-CD1 4.33Å; W246-L261 HydrophobicContact CH2-CD2 4.35Å; W246-L261 HydrophobicContact CZ2-CD2 4.16Å; W246-I342 HydrophobicContact CB-CD1 4.3Å; W246-I342 HydrophobicContact CB-CG1 4.12Å; W246-I342 HydrophobicContact CB-CG2 4.41Å; W246-I342 HydrophobicContact CD2-CD1 3.83Å; W246-I342 HydrophobicContact CD2-CG1 4.47Å; W246-I342 HydrophobicContact CD2-CG2 4.14Å; W246-I342 HydrophobicContact CE3-CD1 4.48Å; W246-I342 HydrophobicContact CE3-CG2 3.83Å; W246-I342 HydrophobicContact CG-CD1 3.73Å; W246-I342 HydrophobicContact CG-CG1 4.1Å; W246-I342 HydrophobicContact CG-CG2 4.42Å; W246-I342 HydrophobicContact CZ3-CG2 4.39Å
247	N	88.4	Confident	88.9	Confident	83 Å²	83	51.4 Å²	51.4	44%	0.444	25%	0.246	S	C	.	.	H	α-helix	trans	-68.6	-19.8	-175.9	-76	-27.7	0	0	0	114.4	L243 M249	L243-N247 WeakPolarHBondContact O-CB 3.46Å; L243-N247 VanDerWaalsContact O-CG 3.27Å; L243-N247 PolarHBondContact O-N 3.37Å; L243-N247 PolarHBondContact O-ND2 3.43Å; N247-M249 VanDerWaalsContact C-N 3.34Å
248	R	86.1	Confident	88.9	Confident	105 Å²	105	51.5 Å²	51.5	40%	0.396	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.8	172.1	-72.5	176.9	176.5	-173.6	-1.2	113.5	D125 H152 V244 W246	D125-R248 IonicContact OD1-NH1 3.79Å; D125-R248 PolarHBondContact OD1-NH1 3.03Å; D125-R248 IonicContact OD2-CZ 3.88Å; D125-R248 IonicContact OD2-NH1 2.78Å; D125-R248 PolarHBondContact OD2-NH1 3.33Å; D125-R248 IonicContact OD2-NH2 3.95Å; D125-R248 PolarHBondContact OD2-NH2 2.64Å; H152-R248 PolarHBondContact CD2-O 2.71Å; V244-R248 WeakPolarHBondContact O-CG 3.46Å; V244-R248 PolarHBondContact O-N 3.39Å; W246-R248 PolarHBondContact O-N 3.34Å
249	M	87.3	Confident	88.9	Confident	9 Å²	9	51.5 Å²	51.5	4%	0.044	25%	0.246	C	C	.	.	S	Bend	trans	-71.6	144.4	177.5	-58.1	-176.4	-163.3	0	0	110.8	S192 V195 I196 W246 N247 R254	S192-M249 VanDerWaalsContact O-CE 3.28Å; S192-M249 WeakPolarHBondContact O-CE 3.44Å; V195-M249 HydrophobicContact CB-CE 3.66Å; V195-M249 HydrophobicContact CG1-CE 3.63Å; V195-M249 HydrophobicContact CG2-CE 4.42Å; I196-M249 HydrophobicContact CD1-CE 4.44Å; I196-M249 HydrophobicContact CD1-SD 4.19Å; I196-M249 HydrophobicContact CG1-CE 4.02Å; I196-M249 HydrophobicContact CG1-SD 4.04Å; W246-M249 HydrophobicContact CD2-CE 4.29Å; W246-M249 HydrophobicContact CE3-CE 4.02Å; W246-M249 HydrophobicContact CE3-SD 4.08Å; W246-M249 WeakPolarHBondContact O-CB 3.48Å; W246-M249 PolarHBondContact O-N 2.93Å; N247-M249 VanDerWaalsContact C-N 3.34Å; M249-R254 HydrophobicContact CB-CB 4Å
250	K	86.4	Confident	89	Confident	123 Å²	123	49.9 Å²	49.9	54%	0.535	24%	0.238	S	C	.	.			trans	-57.8	140.6	167.1	-65.6	-172.8	-176.7	178.7	0	110	D153 E252 R253 R254	D153-K250 WeakPolarHBondContact OD1-CE 3.45Å; D153-K250 IonicContact OD1-NZ 3.36Å; K250-E252 PolarHBondContact O-N 3.4Å; K250-R253 PolarHBondContact O-N 2.9Å; K250-R254 PolarHBondContact O-N 3.4Å
251	E	84.9	Confident	89.4	Confident	91 Å²	91	46.7 Å²	46.7	43%	0.425	22%	0.218	S	C	.	.	H	α-helix	trans	-49.2	-55.3	-172.9	-175.3	170.1	-151.7	0	0	113.7	R253 R254 E255 S346	E251-R253 VanDerWaalsContact C-N 3.26Å; E251-R253 PolarHBondContact O-N 2.95Å; E251-R254 WeakPolarHBondContact O-CB 3.39Å; E251-R254 PolarHBondContact O-N 3.06Å; E251-R254 VanDerWaalsContact O-N 3.08Å; E251-E255 WeakPolarHBondContact O-CG 3.16Å; E251-E255 PolarHBondContact O-N 3.03Å; E251-S346 WeakPolarHBondContact OE1-CB 3.43Å
252	E	86	Confident	89.9	Confident	140 Å²	140	41.9 Å²	41.9	65%	0.654	19%	0.193	S	C	*	.	H	α-helix	trans	-54.7	-40.4	178.8	-175.7	-173.8	-176.7	0	0	112.6	K250 H256	K250-E252 PolarHBondContact O-N 3.4Å; E252-H256 WeakPolarHBondContact O-CB 3.41Å; E252-H256 PolarHBondContact O-N 3.26Å
253	R	87.7	Confident	90.1	Very high	71 Å²	71	43.1 Å²	43.1	27%	0.268	20%	0.199	S	C	.	.	H	α-helix	trans	-75.2	-39.9	179	-175.5	167.1	-68.3	136.2	2.1	111.6	H152 M158 I196 K250 E251 E255 H256 T257	H152-R253 PolarHBondContact O-NH1 2.86Å; M158-R253 PolarHBondContact SD-NH1 2.86Å; M158-R253 VanDerWaalsContact SD-NH1 3.43Å; I196-R253 HydrophobicContact CD1-CG 4.36Å; K250-R253 PolarHBondContact O-N 2.9Å; E251-R253 VanDerWaalsContact C-N 3.26Å; E251-R253 PolarHBondContact O-N 2.95Å; R253-E255 VanDerWaalsContact C-N 3.31Å; R253-E255 PolarHBondContact O-N 3.42Å; R253-H256 PolarHBondContact O-N 2.91Å; R253-T257 WeakPolarHBondContact O-CB 3.49Å; R253-T257 PolarHBondContact O-N 3.17Å; R253-T257 PolarHBondContact O-OG1 3.2Å; R253-T257 VanDerWaalsContact O-OG1 3.04Å
254	R	91	Very high	90.4	Very high	33 Å²	33	42.3 Å²	42.3	13%	0.125	19%	0.194	C	C	.	.	H	α-helix	trans	-56.5	-48.8	175	-170.7	176.2	63.3	-147	-6.2	110	W246 M249 K250 E251 T257 I258 I342	W246-R254 HydrophobicContact CE3-CG 4.13Å; W246-R254 VanDerWaalsContact O-CD 3.28Å; W246-R254 WeakPolarHBondContact O-CD 3.16Å; M249-R254 HydrophobicContact CB-CB 4Å; K250-R254 PolarHBondContact O-N 3.4Å; E251-R254 WeakPolarHBondContact O-CB 3.39Å; E251-R254 PolarHBondContact O-N 3.06Å; E251-R254 VanDerWaalsContact O-N 3.08Å; R254-T257 PolarHBondContact O-N 3.43Å; R254-I258 VanDerWaalsContact O-CG2 3.25Å; R254-I258 WeakPolarHBondContact O-CG2 3.47Å; R254-I258 PolarHBondContact O-N 2.94Å; R254-I342 HydrophobicContact CG-CG2 3.85Å; R254-I342 PolarHBondContact NE-O 3.37Å
255	E	90.3	Very high	90.7	Very high	24 Å²	24	39 Å²	39	11%	0.112	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-44.7	176.8	-71.8	-179.8	163	0	0	112.2	E251 R253 I258 T259 W407	E251-E255 WeakPolarHBondContact O-CG 3.16Å; E251-E255 PolarHBondContact O-N 3.03Å; R253-E255 VanDerWaalsContact C-N 3.31Å; R253-E255 PolarHBondContact O-N 3.42Å; E255-I258 WeakPolarHBondContact O-CG2 3.27Å; E255-T259 WeakPolarHBondContact O-CB 3.46Å; E255-T259 PolarHBondContact O-N 3.21Å; E255-T259 PolarHBondContact O-OG1 2.92Å; E255-W407 HydrophobicContact CB-CZ2 4.48Å; E255-W407 HydrophobicContact CG-CH2 4.23Å
256	H	91.6	Very high	90.9	Very high	71 Å²	71	39.9 Å²	39.9	33%	0.329	18%	0.178	S	C	.	.	H	α-helix	trans	-63.2	-47.1	176.2	-179.3	81.2	0	0	0	112.2	E252 R253 T259 K260 S413	E252-H256 WeakPolarHBondContact O-CB 3.41Å; E252-H256 PolarHBondContact O-N 3.26Å; R253-H256 PolarHBondContact O-N 2.91Å; H256-T259 PolarHBondContact O-N 2.89Å; H256-K260 WeakPolarHBondContact O-CB 3.48Å; H256-K260 PolarHBondContact O-N 3.33Å; H256-S413 PolarHBondContact CE1-O 2.64Å; H256-S413 VanDerWaalsContact CE1-O 3.23Å; H256-S413 PolarHBondContact ND1-O 2.96Å; H256-S413 VanDerWaalsContact ND1-O 3.12Å
257	T	93.3	Very high	90.8	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.043	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-42.1	-178	-59.4	0	0	0	0	111.9	I196 V199 W246 R253 R254 K260 L261	I196-T257 HydrophobicContact CG1-CG2 4.17Å; V199-T257 HydrophobicContact CB-CG2 4.07Å; V199-T257 HydrophobicContact CG1-CG2 4.12Å; V199-T257 HydrophobicContact CG2-CG2 3.93Å; W246-T257 HydrophobicContact CH2-CG2 3.81Å; W246-T257 HydrophobicContact CZ3-CG2 3.73Å; R253-T257 WeakPolarHBondContact O-CB 3.49Å; R253-T257 PolarHBondContact O-N 3.17Å; R253-T257 PolarHBondContact O-OG1 3.2Å; R253-T257 VanDerWaalsContact O-OG1 3.04Å; R254-T257 PolarHBondContact O-N 3.43Å; T257-K260 PolarHBondContact O-N 2.78Å; T257-L261 PolarHBondContact O-N 2.85Å
258	I	94.6	Very high	90.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-67.9	-41.5	176.4	-168.5	61.2	0	0	0	111	W246 R254 E255 K260 L261 L262 I339 I342 L343	W246-I258 HydrophobicContact CH2-CB 4.24Å; W246-I258 HydrophobicContact CH2-CD1 3.96Å; W246-I258 HydrophobicContact CZ2-CD1 4.3Å; W246-I258 HydrophobicContact CZ3-CB 3.91Å; W246-I258 HydrophobicContact CZ3-CD1 4.33Å; R254-I258 VanDerWaalsContact O-CG2 3.25Å; R254-I258 WeakPolarHBondContact O-CG2 3.47Å; R254-I258 PolarHBondContact O-N 2.94Å; E255-I258 WeakPolarHBondContact O-CG2 3.27Å; I258-K260 VanDerWaalsContact C-N 3.3Å; I258-K260 PolarHBondContact O-N 2.8Å; I258-L261 HydrophobicContact CD1-CD2 4.17Å; I258-L261 WeakPolarHBondContact O-CB 3.46Å; I258-L261 PolarHBondContact O-N 2.68Å; I258-L261 VanDerWaalsContact O-N 3.13Å; I258-L262 HydrophobicContact CG1-CG 4.5Å; I258-L262 VanDerWaalsContact O-CG 3.3Å; I258-L262 WeakPolarHBondContact O-CG 3.21Å; I258-L262 PolarHBondContact O-N 3Å; I258-I339 HydrophobicContact CD1-CG2 4.47Å; I258-I342 HydrophobicContact CB-CG2 3.97Å; I258-I342 HydrophobicContact CD1-CD1 4.22Å; I258-I342 HydrophobicContact CD1-CG2 4.23Å; I258-I342 HydrophobicContact CG1-CG2 3.94Å; I258-I342 HydrophobicContact CG2-CG2 4.29Å; I258-L343 HydrophobicContact CB-CD2 4.48Å; I258-L343 HydrophobicContact CG1-CD2 4Å; I258-L343 HydrophobicContact CG1-CG 4.28Å; I258-L343 HydrophobicContact CG2-CD2 3.56Å
259	T	94.4	Very high	91	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-41	176.5	-58.6	0	0	0	0	111.4	E255 H256 L262 H263 W407 Y409 L414	E255-T259 WeakPolarHBondContact O-CB 3.46Å; E255-T259 PolarHBondContact O-N 3.21Å; E255-T259 PolarHBondContact O-OG1 2.92Å; H256-T259 PolarHBondContact O-N 2.89Å; T259-L262 PolarHBondContact O-N 3.02Å; T259-H263 WeakPolarHBondContact O-CB 3.47Å; T259-H263 PolarHBondContact O-N 2.74Å; T259-W407 PolarHBondContact OG1-NE1 2.94Å; T259-Y409 HydrophobicContact CG2-CD1 4.08Å; T259-Y409 HydrophobicContact CG2-CD2 3.59Å; T259-Y409 HydrophobicContact CG2-CE2 4.26Å; T259-Y409 HydrophobicContact CG2-CG 3.48Å; T259-Y409 VanDerWaalsContact CG2-CG 3.48Å; T259-L414 VanDerWaalsContact CB-O 3.26Å; T259-L414 WeakPolarHBondContact CB-O 3.01Å; T259-L414 HydrophobicContact CG2-CB 4.34Å; T259-L414 WeakPolarHBondContact CG2-O 3.45Å
260	K	94.2	Very high	91	Very high	24 Å²	24	34.8 Å²	34.8	10%	0.104	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-44.3	174.2	-172.4	162.9	-175.2	167.2	0	111.9	V199 E200 S203 H256 T257 I258 H263 V264 L414	V199-K260 HydrophobicContact CG1-CB 4.09Å; V199-K260 HydrophobicContact CG1-CD 4.41Å; V199-K260 HydrophobicContact CG1-CG 4.03Å; E200-K260 IonicContact OE1-NZ 3.3Å; E200-K260 PolarHBondContact OE1-NZ 2.96Å; E200-K260 WeakPolarHBondContact OE2-CE 3.32Å; E200-K260 IonicContact OE2-NZ 3.58Å; E200-K260 PolarHBondContact OE2-NZ 3.22Å; S203-K260 VanDerWaalsContact CB-CE 3.41Å; S203-K260 VanDerWaalsContact OG-CE 3.28Å; S203-K260 WeakPolarHBondContact OG-CE 3.42Å; H256-K260 WeakPolarHBondContact O-CB 3.48Å; H256-K260 PolarHBondContact O-N 3.33Å; T257-K260 PolarHBondContact O-N 2.78Å; I258-K260 VanDerWaalsContact C-N 3.3Å; I258-K260 PolarHBondContact O-N 2.8Å; K260-H263 PolarHBondContact O-N 3.08Å; K260-V264 HydrophobicContact CG-CG2 4.41Å; K260-V264 WeakPolarHBondContact O-CB 3.33Å; K260-V264 WeakPolarHBondContact O-CG2 3.44Å; K260-V264 PolarHBondContact O-N 3.44Å; K260-L414 HydrophobicContact CB-CD1 3.91Å; K260-L414 HydrophobicContact CD-CD1 3.85Å; K260-L414 HydrophobicContact CG-CD1 3.78Å
261	L	95.1	Very high	91	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-48.8	176.7	179.7	61.6	0	0	0	111.5	V199 L202 V234 L237 V238 W246 T257 I258 H263 V264 V265	V199-L261 HydrophobicContact CG1-CB 4.13Å; V199-L261 HydrophobicContact CG2-CB 4.2Å; V199-L261 HydrophobicContact CG2-CD1 4.26Å; L202-L261 HydrophobicContact CD1-CD1 4.04Å; V234-L261 HydrophobicContact CG1-CD1 4.2Å; V234-L261 HydrophobicContact CG2-CD1 4.19Å; L237-L261 HydrophobicContact CB-CD2 4.43Å; L237-L261 HydrophobicContact CD1-CD1 4.14Å; V238-L261 HydrophobicContact CG1-CD2 3.78Å; W246-L261 HydrophobicContact CH2-CD2 4.35Å; W246-L261 HydrophobicContact CZ2-CD2 4.16Å; T257-L261 PolarHBondContact O-N 2.85Å; I258-L261 HydrophobicContact CD1-CD2 4.17Å; I258-L261 WeakPolarHBondContact O-CB 3.46Å; I258-L261 PolarHBondContact O-N 2.68Å; I258-L261 VanDerWaalsContact O-N 3.13Å; L261-H263 PolarHBondContact O-N 2.74Å; L261-V264 PolarHBondContact O-N 3.45Å; L261-V265 HydrophobicContact CD1-CG2 4.48Å; L261-V265 VanDerWaalsContact O-CG2 3.32Å; L261-V265 WeakPolarHBondContact O-CG2 3.38Å; L261-V265 PolarHBondContact O-N 2.92Å; L261-V265 VanDerWaalsContact O-N 3.11Å
262	L	94.7	Very high	90.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-55.5	-50.4	177.1	-71.3	-176.2	0	0	0	111.7	I258 T259 V264 V265 E266 Y336 I339 L343 H442	I258-L262 HydrophobicContact CG1-CG 4.5Å; I258-L262 VanDerWaalsContact O-CG 3.3Å; I258-L262 WeakPolarHBondContact O-CG 3.21Å; I258-L262 PolarHBondContact O-N 3Å; T259-L262 PolarHBondContact O-N 3.02Å; L262-V264 PolarHBondContact O-N 3.46Å; L262-V265 PolarHBondContact O-N 2.79Å; L262-E266 PolarHBondContact O-N 3.35Å; L262-Y336 HydrophobicContact CD2-CD2 4.22Å; L262-Y336 HydrophobicContact CD2-CE1 3.99Å; L262-Y336 HydrophobicContact CD2-CE2 3.57Å; L262-Y336 VanDerWaalsContact CD2-CZ 3.44Å; L262-I339 HydrophobicContact CD2-CD1 3.93Å; L262-L343 HydrophobicContact CD1-CD1 4.42Å; L262-H442 WeakPolarHBondContact CB-NE2 3.2Å
263	H	93.2	Very high	90.5	Very high	35 Å²	35	18.5 Å²	18.5	16%	0.162	8%	0.084	C	C	.	.	H	α-helix	trans	-60.7	-43.3	178.5	-179.3	50.3	0	0	0	113	T259 K260 L261 V265 E266 E267 Y409 L414	T259-H263 WeakPolarHBondContact O-CB 3.47Å; T259-H263 PolarHBondContact O-N 2.74Å; K260-H263 PolarHBondContact O-N 3.08Å; L261-H263 PolarHBondContact O-N 2.74Å; H263-V265 VanDerWaalsContact C-N 3.33Å; H263-V265 PolarHBondContact O-N 2.84Å; H263-E266 PolarHBondContact O-N 3.4Å; H263-E267 IonicContact NE2-OE2 2.71Å; H263-E267 WeakPolarHBondContact O-CB 3.44Å; H263-E267 PolarHBondContact O-N 2.72Å; H263-Y409 HydrophobicContact CB-CE2 4.16Å; H263-L414 HydrophobicContact CB-CD2 4.27Å
264	V	92.3	Very high	89.8	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-63.2	-38.7	-179.5	165.9	0	0	0	0	112	L202 A206 K260 L261 L262 S268	L202-V264 HydrophobicContact CB-CG1 4.06Å; A206-V264 HydrophobicContact CB-CG1 4.18Å; K260-V264 HydrophobicContact CG-CG2 4.41Å; K260-V264 WeakPolarHBondContact O-CB 3.33Å; K260-V264 WeakPolarHBondContact O-CG2 3.44Å; K260-V264 PolarHBondContact O-N 3.44Å; L261-V264 PolarHBondContact O-N 3.45Å; L262-V264 PolarHBondContact O-N 3.46Å; V264-S268 WeakPolarHBondContact O-CB 3.49Å; V264-S268 PolarHBondContact O-N 3.36Å; V264-S268 PolarHBondContact O-OG 3.31Å
265	V	93.6	Very high	88.6	Confident	1 Å²	1	19 Å²	19	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-64.1	-49.4	177.9	174.7	0	0	0	0	110.7	V234 L261 L262 H263 A269 L291 V334	V234-V265 HydrophobicContact CB-CG2 4.26Å; V234-V265 HydrophobicContact CG1-CG2 3.74Å; V234-V265 HydrophobicContact CG2-CG2 3.56Å; L261-V265 HydrophobicContact CD1-CG2 4.48Å; L261-V265 VanDerWaalsContact O-CG2 3.32Å; L261-V265 WeakPolarHBondContact O-CG2 3.38Å; L261-V265 PolarHBondContact O-N 2.92Å; L261-V265 VanDerWaalsContact O-N 3.11Å; L262-V265 PolarHBondContact O-N 2.79Å; H263-V265 VanDerWaalsContact C-N 3.33Å; H263-V265 PolarHBondContact O-N 2.84Å; V265-A269 VanDerWaalsContact O-CB 3.31Å; V265-A269 WeakPolarHBondContact O-CB 3.44Å; V265-A269 PolarHBondContact O-N 3.22Å; V265-A269 VanDerWaalsContact O-N 3.08Å; V265-L291 HydrophobicContact CG1-CD1 4.11Å; V265-V334 HydrophobicContact CG1-CG1 4.25Å; V265-V334 HydrophobicContact CG1-CG2 4.17Å
266	E	91.9	Very high	87.4	Confident	17 Å²	17	18.8 Å²	18.8	8%	0.079	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-49.8	178.9	-68.5	-174.7	152.2	0	0	111.7	L262 H263 S268 A269 L270 A373 H442	L262-E266 PolarHBondContact O-N 3.35Å; H263-E266 PolarHBondContact O-N 3.4Å; E266-S268 PolarHBondContact O-N 3.49Å; E266-A269 PolarHBondContact O-N 2.69Å; E266-L270 WeakPolarHBondContact O-CB 3.32Å; E266-L270 VanDerWaalsContact O-CG 3.28Å; E266-L270 WeakPolarHBondContact O-CG 3.47Å; E266-L270 PolarHBondContact O-N 3.14Å; E266-A373 HydrophobicContact CB-CB 4.45Å; E266-A373 HydrophobicContact CG-CB 4.39Å; E266-H442 IonicContact OE1-CE1 2.83Å; E266-H442 PolarHBondContact OE1-CE1 2.92Å; E266-H442 IonicContact OE1-ND1 2.63Å; E266-H442 IonicContact OE1-NE2 2.6Å; E266-H442 PolarHBondContact OE1-NE2 2.92Å; E266-H442 IonicContact OE2-CE1 2.96Å
267	E	89.3	Confident	86	Confident	75 Å²	75	24.8 Å²	24.8	35%	0.35	12%	0.122	S	C	.	.	H	α-helix	trans	-64.8	-42	-176.5	-171.1	-178	-166.7	0	0	111.9	H263 S271	H263-E267 IonicContact NE2-OE2 2.71Å; H263-E267 WeakPolarHBondContact O-CB 3.44Å; H263-E267 PolarHBondContact O-N 2.72Å; E267-S271 VanDerWaalsContact O-CB 3.24Å; E267-S271 WeakPolarHBondContact O-CB 3.43Å; E267-S271 PolarHBondContact O-N 2.92Å; E267-S271 PolarHBondContact O-OG 3.05Å
268	S	89.2	Confident	84.7	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-45.9	178.9	-59.6	0	0	0	0	111.3	A206 V264 E266 S271 L272	A206-S268 WeakPolarHBondContact CB-OG 3.44Å; V264-S268 WeakPolarHBondContact O-CB 3.49Å; V264-S268 PolarHBondContact O-N 3.36Å; V264-S268 PolarHBondContact O-OG 3.31Å; E266-S268 PolarHBondContact O-N 3.49Å; S268-S271 PolarHBondContact O-N 3.4Å; S268-L272 WeakPolarHBondContact O-CB 3.44Å; S268-L272 VanDerWaalsContact O-CG 3.31Å; S268-L272 WeakPolarHBondContact O-CG 3.47Å; S268-L272 PolarHBondContact O-N 2.9Å
269	A	89.8	Confident	83.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-42.5	-179.6	0	0	0	0	0	112.3	L227 V265 E266 L272 G273 L291 V332	L227-A269 HydrophobicContact CD1-CB 4Å; V265-A269 VanDerWaalsContact O-CB 3.31Å; V265-A269 WeakPolarHBondContact O-CB 3.44Å; V265-A269 PolarHBondContact O-N 3.22Å; V265-A269 VanDerWaalsContact O-N 3.08Å; E266-A269 PolarHBondContact O-N 2.69Å; A269-L272 PolarHBondContact O-N 3.41Å; A269-G273 PolarHBondContact O-N 3.04Å; A269-L291 HydrophobicContact CB-CD1 4.15Å; A269-V332 HydrophobicContact CB-CB 4.31Å; A269-V332 HydrophobicContact CB-CG2 3.73Å
270	L	88.6	Confident	82.9	Confident	15 Å²	15	33.8 Å²	33.8	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-67.3	-38.4	177	-71.3	173.2	0	0	0	112.5	E266 G273 S274 V332 A373 K375	E266-L270 WeakPolarHBondContact O-CB 3.32Å; E266-L270 VanDerWaalsContact O-CG 3.28Å; E266-L270 WeakPolarHBondContact O-CG 3.47Å; E266-L270 PolarHBondContact O-N 3.14Å; L270-G273 PolarHBondContact O-N 3.04Å; L270-S274 PolarHBondContact O-N 2.82Å; L270-V332 HydrophobicContact CD1-CG1 4.32Å; L270-V332 HydrophobicContact CD2-CB 4.11Å; L270-V332 HydrophobicContact CD2-CG1 3.76Å; L270-V332 HydrophobicContact CG-CB 4.44Å; L270-V332 HydrophobicContact CG-CG1 3.76Å; L270-A373 HydrophobicContact CD1-CB 3.75Å; L270-K375 HydrophobicContact CB-CB 4.08Å; L270-K375 HydrophobicContact CB-CD 4.05Å; L270-K375 HydrophobicContact CD1-CB 4.1Å; L270-K375 HydrophobicContact CD2-CB 4.13Å; L270-K375 HydrophobicContact CG-CB 4.34Å
271	S	85.3	Confident	82.5	Confident	8 Å²	8	38.5 Å²	38.5	6%	0.056	20%	0.202	C	C	.	.	H	α-helix	trans	-66.9	-39.9	178.8	-59.6	0	0	0	0	111.1	E267 S268 S274 K375	E267-S271 VanDerWaalsContact O-CB 3.24Å; E267-S271 WeakPolarHBondContact O-CB 3.43Å; E267-S271 PolarHBondContact O-N 2.92Å; E267-S271 PolarHBondContact O-OG 3.05Å; S268-S271 PolarHBondContact O-N 3.4Å; S271-S274 PolarHBondContact O-N 2.83Å; S271-S274 PolarHBondContact O-OG 3.39Å; S271-K375 PolarHBondContact OG-NZ 2.89Å
272	L	81.9	Confident	82.2	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-40.5	171.4	-75.2	171.7	0	0	0	112.8	L209 V223 T226 L227 S268 A269	L209-L272 HydrophobicContact CD2-CD2 4.16Å; V223-L272 HydrophobicContact CG1-CB 4.17Å; T226-L272 HydrophobicContact CG2-CD1 4.11Å; T226-L272 HydrophobicContact CG2-CD2 4.23Å; L227-L272 HydrophobicContact CB-CD1 4.43Å; L227-L272 HydrophobicContact CD1-CD1 4.1Å; S268-L272 WeakPolarHBondContact O-CB 3.44Å; S268-L272 VanDerWaalsContact O-CG 3.31Å; S268-L272 WeakPolarHBondContact O-CG 3.47Å; S268-L272 PolarHBondContact O-N 2.9Å; A269-L272 PolarHBondContact O-N 3.41Å
273	G	78.8	Confident	82	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-39.9	177.4	0	0	0	0	0	113.5	A269 L270 N275 H276 T295 S330	A269-G273 PolarHBondContact O-N 3.04Å; L270-G273 PolarHBondContact O-N 3.04Å; G273-N275 PolarHBondContact O-N 2.88Å; G273-H276 PolarHBondContact O-N 2.98Å; G273-H276 VanDerWaalsContact O-N 3.07Å; G273-T295 WeakPolarHBondContact O-CG2 3.33Å; G273-S330 PolarHBondContact O-OG 3.43Å
274	S	72.9	Confident	82	Confident	51 Å²	51	43.7 Å²	43.7	36%	0.357	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-17.6	-174.1	68	0	0	0	0	114.6	L270 S271 H276 S330	L270-S274 PolarHBondContact O-N 2.82Å; S271-S274 PolarHBondContact O-N 2.83Å; S271-S274 PolarHBondContact O-OG 3.39Å; S274-H276 VanDerWaalsContact C-N 3.34Å; S274-S330 PolarHBondContact N-OG 3.04Å
275	N	66.2	Low	82.1	Confident	65 Å²	65	51 Å²	51	35%	0.348	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.2	178.5	-66	-18.8	0	0	0	113.2	E213 G273	E213-N275 WeakPolarHBondContact CB-ND2 3.33Å; E213-N275 PolarHBondContact OE2-ND2 3.04Å; G273-N275 PolarHBondContact O-N 2.88Å
276	H	65.5	Low	82	Confident	18 Å²	18	52.3 Å²	52.3	8%	0.083	27%	0.269	C	S	.	.			trans	-91.1	123.2	177.5	-91.5	-73.7	0	0	0	112.5	G273 S274 S328	G273-H276 PolarHBondContact O-N 2.98Å; G273-H276 VanDerWaalsContact O-N 3.07Å; S274-H276 VanDerWaalsContact C-N 3.34Å; H276-S328 PolarHBondContact O-OG 2.88Å
277	K	62.2	Low	82	Confident	197 Å²	197	54.8 Å²	54.8	86%	0.857	29%	0.288	S	S	*	.			trans	-84.5	-17.3	169.9	-64.5	-174.2	-179.4	-179.6	0	113.2
278	T	65.6	Low	82.1	Confident	79 Å²	79	52.9 Å²	52.9	49%	0.485	28%	0.279	S	S	.	.	S	Bend	trans	-94.6	135.5	-179.9	50.1	0	0	0	0	110.7	T280 T295	T278-T280 PolarHBondContact O-N 2.98Å; T278-T280 PolarHBondContact O-OG1 2.85Å; T278-T295 PolarHBondContact O-OG1 2.92Å
279	P	71.6	Confident	82.3	Confident	86 Å²	86	52.9 Å²	52.9	56%	0.558	28%	0.28	S	S	*	.			trans	-57.8	124.6	173.9	-22.1	32	0	0	0	110.9	T295	P279-T295 CarbonylContact C-O 3.56Å; P279-T295 WeakPolarHBondContact CA-O 3.34Å
280	T	78.8	Confident	82.5	Confident	32 Å²	32	53.3 Å²	53.3	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	138.1	-175.5	-44.6	0	0	0	0	109.8	T278 L282 T295	T278-T280 PolarHBondContact O-N 2.98Å; T278-T280 PolarHBondContact O-OG1 2.85Å; T280-L282 HydrophobicContact CG2-CD2 4.2Å; T280-L282 HydrophobicContact CG2-CG 4.07Å; T280-T295 WeakPolarHBondContact CB-OG1 3.26Å; T280-T295 PolarHBondContact N-O 3.37Å; T280-T295 PolarHBondContact N-OG1 3.13Å; T280-T295 PolarHBondContact O-N 2.99Å; T280-T295 PolarHBondContact O-OG1 3.03Å
281	E	86.6	Confident	82.9	Confident	124 Å²	124	52.7 Å²	52.7	58%	0.579	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.4	169.9	178.8	175.3	-176.6	0	0	108.2	L293 F294	E281-L293 WeakPolarHBondContact CA-O 3.36Å; E281-F294 HydrophobicContact CB-CD1 4.18Å; E281-F294 HydrophobicContact CB-CE1 4.12Å; E281-F294 HydrophobicContact CG-CD1 3.94Å; E281-F294 HydrophobicContact CG-CE1 3.46Å; E281-F294 VanDerWaalsContact CG-CE1 3.46Å; E281-F294 HydrophobicContact CG-CZ 3.85Å; E281-F294 VanDerWaalsContact OE1-CE1 3.32Å; E281-F294 WeakPolarHBondContact OE1-CE1 3.35Å; E281-F294 VanDerWaalsContact OE1-CZ 3.24Å; E281-F294 WeakPolarHBondContact OE1-CZ 3.49Å
282	L	87.9	Confident	83.3	Confident	24 Å²	24	53.3 Å²	53.3	13%	0.126	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.3	176.7	-64.8	175.3	0	0	0	109.2	V223 N224 T280 K292 L293	V223-L282 HydrophobicContact CG1-CD1 4.07Å; N224-L282 HydrophobicContact CB-CD2 4.36Å; T280-L282 HydrophobicContact CG2-CD2 4.2Å; T280-L282 HydrophobicContact CG2-CG 4.07Å; L282-K292 CarbonylContact O-C 3.46Å; L282-K292 WeakPolarHBondContact O-CA 3.39Å; L282-L293 HydrophobicContact CB-CB 4.44Å; L282-L293 HydrophobicContact CD1-CD2 4.49Å; L282-L293 PolarHBondContact N-O 2.77Å; L282-L293 PolarHBondContact O-N 3.34Å
283	Q	91.8	Very high	83.7	Confident	103 Å²	103	53.4 Å²	53.4	48%	0.481	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.7	174.6	178.9	-179.5	10.7	0	0	109.3	E290 K292	Q283-E290 PolarHBondContact NE2-OE1 3.29Å; Q283-K292 HydrophobicContact CB-CG 4.07Å; Q283-K292 HydrophobicContact CG-CD 4.38Å; Q283-K292 HydrophobicContact CG-CG 3.83Å
284	I	93.1	Very high	84.2	Confident	17 Å²	17	54.5 Å²	54.5	9%	0.087	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126	174.6	-58.9	172.8	0	0	0	107.7	L227 V231 L291	L227-I284 HydrophobicContact CB-CD1 3.62Å; L227-I284 HydrophobicContact CD2-CD1 3.65Å; L227-I284 HydrophobicContact CG-CD1 3.54Å; V231-I284 HydrophobicContact CB-CG2 3.89Å; V231-I284 HydrophobicContact CG1-CG2 3.64Å; V231-I284 HydrophobicContact CG2-CB 4.31Å; V231-I284 HydrophobicContact CG2-CG2 4.03Å; I284-L291 PolarHBondContact N-O 3.33Å; I284-L291 PolarHBondContact O-N 2.91Å
285	K	93.6	Very high	84.9	Confident	156 Å²	156	52.5 Å²	52.5	68%	0.678	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.9	-179.9	-174.8	177.7	179.1	-177	0	109.4	E290	K285-E290 HydrophobicContact CB-CG 4.19Å; K285-E290 HydrophobicContact CG-CG 4.17Å
286	A	92.4	Very high	85.7	Confident	28 Å²	28	51.1 Å²	51.1	23%	0.231	26%	0.261	C	S	.	.			trans	-113.4	-168.8	170	0	0	0	0	0	109.8	V231 N235 L289	V231-A286 HydrophobicContact CG1-CB 3.87Å; N235-A286 HydrophobicContact CB-CB 3.83Å; N235-A286 VanDerWaalsContact CG-CB 3.49Å; N235-A286 WeakPolarHBondContact OD1-CB 3.29Å; A286-L289 WeakPolarHBondContact CA-O 3.18Å; A286-L289 WeakPolarHBondContact CB-O 3.35Å; A286-L289 PolarHBondContact N-O 3.43Å
287	S	90.3	Very high	86.5	Confident	68 Å²	68	52.9 Å²	52.9	48%	0.476	27%	0.272	S	S	.	.	S	Bend	trans	-67.8	-50.6	-178.9	42.6	0	0	0	0	112	N235	N235-S287 PolarHBondContact ND2-OG 3.43Å; N235-S287 PolarHBondContact OD1-N 2.98Å; N235-S287 PolarHBondContact OD1-OG 2.85Å
288	E	91.4	Very high	87	Confident	35 Å²	35	44.1 Å²	44.1	16%	0.164	24%	0.236	C	C	.	.	S	Bend	trans	-112.3	-5.2	-174.1	-60.8	-51.7	142.6	0	0	114.1	N235 V238 E239 Y336 D337 S338	N235-E288 PolarHBondContact OD1-N 3.47Å; V238-E288 HydrophobicContact CG2-CB 4.12Å; E239-E288 HydrophobicContact CG-CG 4.45Å; E288-Y336 WeakPolarHBondContact O-CA 3.47Å; E288-D337 PolarHBondContact O-N 3.27Å; E288-D337 WeakPolarHBondContact OE2-CB 3.48Å; E288-S338 VanDerWaalsContact CD-OG 3.23Å; E288-S338 VanDerWaalsContact OE2-CB 3.27Å; E288-S338 WeakPolarHBondContact OE2-CB 3.38Å; E288-S338 PolarHBondContact OE2-OG 3.02Å
289	L	93.7	Very high	87.1	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.5	-178.2	-168	76	0	0	0	111	V231 V234 N235 A286 V334 R335 Y336	V231-L289 HydrophobicContact CB-CD2 4.29Å; V231-L289 HydrophobicContact CG1-CD2 4.03Å; V231-L289 HydrophobicContact CG2-CD2 4.17Å; V234-L289 HydrophobicContact CB-CD2 4.02Å; V234-L289 HydrophobicContact CG1-CD2 3.78Å; N235-L289 HydrophobicContact CB-CB 4.42Å; N235-L289 PolarHBondContact OD1-N 3.44Å; A286-L289 WeakPolarHBondContact CA-O 3.18Å; A286-L289 WeakPolarHBondContact CB-O 3.35Å; A286-L289 PolarHBondContact N-O 3.43Å; L289-V334 HydrophobicContact CD1-CG1 3.57Å; L289-V334 HydrophobicContact CG-CG1 4.35Å; L289-R335 WeakPolarHBondContact CA-O 3.38Å; L289-Y336 HydrophobicContact CD1-CD1 3.26Å; L289-Y336 HydrophobicContact CD1-CD2 4.36Å; L289-Y336 HydrophobicContact CD1-CE1 3.18Å; L289-Y336 HydrophobicContact CD1-CE2 4.28Å; L289-Y336 HydrophobicContact CD1-CG 3.88Å
290	E	95.2	Very high	86.8	Confident	9 Å²	9	47.7 Å²	47.7	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.1	165.9	-165.9	-176.2	170.7	0	0	109.1	Q283 K285 K292 M309 G310 V334 R335	Q283-E290 PolarHBondContact NE2-OE1 3.29Å; K285-E290 HydrophobicContact CB-CG 4.19Å; K285-E290 HydrophobicContact CG-CG 4.17Å; E290-K292 WeakPolarHBondContact OE1-CE 3.35Å; E290-K292 IonicContact OE1-NZ 2.75Å; E290-M309 HydrophobicContact CB-CE 3.68Å; E290-M309 HydrophobicContact CG-CE 3.67Å; E290-M309 WeakPolarHBondContact O-CE 3.19Å; E290-M309 WeakPolarHBondContact OE2-CA 3.38Å; E290-M309 WeakPolarHBondContact OE2-CB 3.49Å; E290-G310 PolarHBondContact OE2-N 3.49Å; E290-V334 CarbonylContact O-C 3.59Å; E290-V334 WeakPolarHBondContact O-CA 3.48Å; E290-R335 HydrophobicContact CB-CB 4.38Å; E290-R335 PolarHBondContact N-O 2.97Å; E290-R335 PolarHBondContact O-N 3.19Å
291	L	95.4	Very high	86	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132	179.8	-173.8	152.1	0	0	0	110.5	L227 V231 V265 A269 I284 L293 V332 F333 V334	L227-L291 HydrophobicContact CD1-CD1 4.31Å; L227-L291 HydrophobicContact CD1-CD2 4.04Å; L227-L291 HydrophobicContact CD2-CD2 3.66Å; L227-L291 HydrophobicContact CG-CD2 4.04Å; V231-L291 HydrophobicContact CG2-CB 3.97Å; V231-L291 HydrophobicContact CG2-CD1 4.09Å; V265-L291 HydrophobicContact CG1-CD1 4.11Å; A269-L291 HydrophobicContact CB-CD1 4.15Å; I284-L291 PolarHBondContact N-O 3.33Å; I284-L291 PolarHBondContact O-N 2.91Å; L291-L293 HydrophobicContact CD2-CB 4.39Å; L291-V332 HydrophobicContact CD1-CG2 4.21Å; L291-V332 HydrophobicContact CD2-CG2 4.13Å; L291-V332 HydrophobicContact CG-CG2 3.98Å; L291-F333 WeakPolarHBondContact CA-O 3.38Å; L291-V334 HydrophobicContact CD1-CG2 4.07Å; L291-V334 HydrophobicContact CG-CG2 4.23Å
292	K	94.1	Very high	84.8	Confident	22 Å²	22	50.8 Å²	50.8	10%	0.096	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.8	174.1	-71.8	179.5	175.8	-175.3	0	110.6	L282 Q283 E290 F294 V307 S308 M309 V332 F333	L282-K292 CarbonylContact O-C 3.46Å; L282-K292 WeakPolarHBondContact O-CA 3.39Å; Q283-K292 HydrophobicContact CB-CG 4.07Å; Q283-K292 HydrophobicContact CG-CD 4.38Å; Q283-K292 HydrophobicContact CG-CG 3.83Å; E290-K292 WeakPolarHBondContact OE1-CE 3.35Å; E290-K292 IonicContact OE1-NZ 2.75Å; K292-F294 HydrophobicContact CB-CE2 4Å; K292-V307 HydrophobicContact CD-CG1 3.38Å; K292-S308 PolarHBondContact NZ-O 3.09Å; K292-M309 HydrophobicContact CB-SD 4.45Å; K292-M309 HydrophobicContact CD-CG 3.77Å; K292-M309 HydrophobicContact CD-SD 4.02Å; K292-M309 HydrophobicContact CG-CE 4.33Å; K292-M309 HydrophobicContact CG-CG 4.47Å; K292-M309 HydrophobicContact CG-SD 4.28Å; K292-V332 CarbonylContact O-C 3.56Å; K292-V332 WeakPolarHBondContact O-CA 3.49Å; K292-F333 HydrophobicContact CB-CB 4.42Å; K292-F333 PolarHBondContact N-O 3.41Å; K292-F333 PolarHBondContact O-N 3.24Å
293	L	91.2	Very high	84	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.8	178.7	178.4	67.7	0	0	0	109.6	L227 E281 L282 L291 V332	L227-L293 HydrophobicContact CD2-CB 4.46Å; L227-L293 HydrophobicContact CD2-CD2 4.34Å; E281-L293 WeakPolarHBondContact CA-O 3.36Å; L282-L293 HydrophobicContact CB-CB 4.44Å; L282-L293 HydrophobicContact CD1-CD2 4.49Å; L282-L293 PolarHBondContact N-O 2.77Å; L282-L293 PolarHBondContact O-N 3.34Å; L291-L293 HydrophobicContact CD2-CB 4.39Å; L293-V332 HydrophobicContact CD1-CB 4.2Å
294	F	89.1	Confident	83.5	Confident	25 Å²	25	51.5 Å²	51.5	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.7	175.4	-68.6	-94.1	0	0	0	109.5	E281 K292 F296 L305 V307 S330 V331 F333	E281-F294 HydrophobicContact CB-CD1 4.18Å; E281-F294 HydrophobicContact CB-CE1 4.12Å; E281-F294 HydrophobicContact CG-CD1 3.94Å; E281-F294 HydrophobicContact CG-CE1 3.46Å; E281-F294 VanDerWaalsContact CG-CE1 3.46Å; E281-F294 HydrophobicContact CG-CZ 3.85Å; E281-F294 VanDerWaalsContact OE1-CE1 3.32Å; E281-F294 WeakPolarHBondContact OE1-CE1 3.35Å; E281-F294 VanDerWaalsContact OE1-CZ 3.24Å; E281-F294 WeakPolarHBondContact OE1-CZ 3.49Å; K292-F294 HydrophobicContact CB-CE2 4Å; F294-F296 HydrophobicContact CB-CD1 4.44Å; F294-F296 HydrophobicContact CB-CE1 4.48Å; F294-L305 HydrophobicContact CD1-CD1 4.42Å; F294-V307 HydrophobicContact CD2-CG2 4.48Å; F294-V307 HydrophobicContact CE2-CG2 3.56Å; F294-V307 HydrophobicContact CZ-CG2 3.82Å; F294-S330 CarbonylContact O-C 3.58Å; F294-S330 VanDerWaalsContact O-CA 3.32Å; F294-S330 WeakPolarHBondContact O-CA 3.49Å; F294-V331 HydrophobicContact CB-CB 4.38Å; F294-V331 PolarHBondContact N-O 3.17Å; F294-V331 PolarHBondContact O-N 2.82Å; F294-F333 AromaticContact CD2-CD2 3.9Å; F294-F333 HydrophobicContact CD2-CD2 3.9Å; F294-F333 AromaticContact CD2-CE2 3.84Å; F294-F333 HydrophobicContact CD2-CE2 3.84Å; F294-F333 AromaticContact CE2-CD2 3.94Å; F294-F333 HydrophobicContact CE2-CD2 3.94Å; F294-F333 HydrophobicContact CE2-CE2 4.02Å
295	T	86.6	Confident	83.2	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.049	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.7	168.6	65.7	0	0	0	0	109.2	G273 T278 P279 T280 V329	G273-T295 WeakPolarHBondContact O-CG2 3.33Å; T278-T295 PolarHBondContact O-OG1 2.92Å; P279-T295 CarbonylContact C-O 3.56Å; P279-T295 WeakPolarHBondContact CA-O 3.34Å; T280-T295 WeakPolarHBondContact CB-OG1 3.26Å; T280-T295 PolarHBondContact N-O 3.37Å; T280-T295 PolarHBondContact N-OG1 3.13Å; T280-T295 PolarHBondContact O-N 2.99Å; T280-T295 PolarHBondContact O-OG1 3.03Å; T295-V329 WeakPolarHBondContact CA-O 3.1Å
296	F	84.5	Confident	83	Confident	36 Å²	36	48 Å²	48	16%	0.158	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	162	178.8	52.4	-97.9	0	0	0	111.4	F294 T301 L305 V329 V331 Y380	F294-F296 HydrophobicContact CB-CD1 4.44Å; F294-F296 HydrophobicContact CB-CE1 4.48Å; F296-T301 HydrophobicContact CD2-CG2 3.37Å; F296-T301 HydrophobicContact CE2-CG2 3.13Å; F296-T301 HydrophobicContact CG-CG2 4.49Å; F296-T301 HydrophobicContact CZ-CG2 4.1Å; F296-L305 HydrophobicContact CE1-CD2 4.17Å; F296-V329 HydrophobicContact CD2-CB 4.17Å; F296-V329 HydrophobicContact CE2-CB 3.7Å; F296-V329 HydrophobicContact CE2-CG1 3.88Å; F296-V329 HydrophobicContact CE2-CG2 4.4Å; F296-V329 HydrophobicContact CZ-CB 4.13Å; F296-V329 HydrophobicContact CZ-CG1 3.84Å; F296-V329 PolarHBondContact N-O 3.04Å; F296-V329 PolarHBondContact O-N 3.09Å; F296-V331 HydrophobicContact CE1-CG2 3.65Å; F296-V331 HydrophobicContact CZ-CG2 3.75Å; F296-Y380 HydrophobicContact CE2-CD2 4.34Å; F296-Y380 HydrophobicContact CE2-CE2 4.43Å; F296-Y380 HydrophobicContact CZ-CD2 4.2Å; F296-Y380 HydrophobicContact CZ-CE2 4.06Å
297	D	80.8	Confident	83.1	Confident	56 Å²	56	47 Å²	47	30%	0.299	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	131.7	172.8	-167.2	-51	0	0	0	110.3	S299 Q300	D297-S299 VanDerWaalsContact CG-OG 3.24Å; D297-S299 PolarHBondContact O-N 3.22Å; D297-S299 VanDerWaalsContact O-N 3.08Å; D297-S299 WeakPolarHBondContact OD1-CB 3.19Å; D297-S299 PolarHBondContact OD1-N 3.5Å; D297-S299 PolarHBondContact OD1-OG 3.04Å; D297-Q300 PolarHBondContact O-N 3.27Å; D297-Q300 VanDerWaalsContact O-N 3.07Å
298	A	74.1	Confident	83.2	Confident	13 Å²	13	46.8 Å²	46.8	11%	0.107	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-19.9	178.2	0	0	0	0	0	114.2	T301 G327 V329 V379	A298-T301 PolarHBondContact O-OG1 3.11Å; A298-G327 WeakPolarHBondContact CB-O 3.35Å; A298-G327 PolarHBondContact N-O 3.48Å; A298-V329 HydrophobicContact CB-CG2 4.02Å; A298-V379 HydrophobicContact CB-CG1 3.39Å
299	S	67.6	Low	83.2	Confident	84 Å²	84	45.1 Å²	45.1	59%	0.587	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-18.3	177.9	63.4	0	0	0	0	114.4	D297	D297-S299 VanDerWaalsContact CG-OG 3.24Å; D297-S299 PolarHBondContact O-N 3.22Å; D297-S299 VanDerWaalsContact O-N 3.08Å; D297-S299 WeakPolarHBondContact OD1-CB 3.19Å; D297-S299 PolarHBondContact OD1-N 3.5Å; D297-S299 PolarHBondContact OD1-OG 3.04Å
300	Q	64.1	Low	82.6	Confident	156 Å²	156	46.4 Å²	46.4	73%	0.729	27%	0.27	S	S	*	.	S	Bend	trans	-109.1	14.8	-176.5	-62.6	-169.3	2.9	0	0	113.2	D297	D297-Q300 PolarHBondContact O-N 3.27Å; D297-Q300 VanDerWaalsContact O-N 3.07Å
301	T	62.2	Low	82.1	Confident	44 Å²	44	48.4 Å²	48.4	27%	0.27	29%	0.292	S	S	.	.			trans	-69.1	135	-171.6	29.9	0	0	0	0	114.2	F296 A298	F296-T301 HydrophobicContact CD2-CG2 3.37Å; F296-T301 HydrophobicContact CE2-CG2 3.13Å; F296-T301 HydrophobicContact CG-CG2 4.49Å; F296-T301 HydrophobicContact CZ-CG2 4.1Å; A298-T301 PolarHBondContact O-OG1 3.11Å
302	K	62.4	Low	82	Confident	177 Å²	177	48.3 Å²	48.3	77%	0.77	29%	0.292	S	S	*	.			trans	-69.2	141.1	156.8	-70.7	178.6	-179.9	174.8	0	108.5	T304	K302-T304 PolarHBondContact O-N 3.28Å
303	A	69.6	Low	82.1	Confident	63 Å²	63	53.7 Å²	53.7	52%	0.521	31%	0.312	S	S	.	.	S	Bend	trans	-59.1	-21.4	179.9	0	0	0	0	0	114.2	Q318	A303-Q318 PolarHBondContact O-N 2.87Å
304	T	81.6	Confident	82.3	Confident	78 Å²	78	53.6 Å²	53.6	48%	0.479	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131	-177.4	53.5	0	0	0	0	110.8	K302 L316 N317	K302-T304 PolarHBondContact O-N 3.28Å; T304-L316 WeakPolarHBondContact CA-O 3.48Å; T304-N317 WeakPolarHBondContact CG2-OD1 3.31Å
305	L	87.9	Confident	82.5	Confident	33 Å²	33	53.3 Å²	53.3	17%	0.173	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.1	173.1	-178.9	65.7	0	0	0	108.9	F294 F296 T315 L316 V331 F333	F294-L305 HydrophobicContact CD1-CD1 4.42Å; F296-L305 HydrophobicContact CE1-CD2 4.17Å; L305-T315 CarbonylContact O-C 3.53Å; L305-T315 WeakPolarHBondContact O-CA 3.48Å; L305-L316 HydrophobicContact CB-CB 4.47Å; L305-L316 PolarHBondContact N-O 3.14Å; L305-L316 PolarHBondContact O-N 2.97Å; L305-V331 HydrophobicContact CD2-CB 4.15Å; L305-V331 HydrophobicContact CD2-CG1 4.03Å; L305-V331 HydrophobicContact CD2-CG2 4.13Å; L305-F333 HydrophobicContact CD2-CE2 3.9Å; L305-F333 HydrophobicContact CD2-CZ 4Å; L305-F333 HydrophobicContact CG-CE2 4.36Å; L305-F333 HydrophobicContact CG-CZ 4.31Å
306	S	89.9	Confident	82.8	Confident	66 Å²	66	52.9 Å²	52.9	46%	0.462	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.4	-176.7	-166.5	0	0	0	0	110.8	I314 T315	S306-I314 WeakPolarHBondContact CA-O 3.48Å; S306-T315 PolarHBondContact OG-OG1 3.09Å
307	V	92.8	Very high	83	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.6	-177.4	-180	0	0	0	0	109.4	K292 F294 M309 R313 I314 F333	K292-V307 HydrophobicContact CD-CG1 3.38Å; F294-V307 HydrophobicContact CD2-CG2 4.48Å; F294-V307 HydrophobicContact CE2-CG2 3.56Å; F294-V307 HydrophobicContact CZ-CG2 3.82Å; V307-M309 HydrophobicContact CG1-CG 3.9Å; V307-M309 HydrophobicContact CG1-SD 4.04Å; V307-R313 WeakPolarHBondContact O-CA 3.48Å; V307-I314 HydrophobicContact CB-CG2 4.25Å; V307-I314 PolarHBondContact N-O 2.95Å; V307-I314 PolarHBondContact O-N 3.14Å; V307-F333 HydrophobicContact CB-CD2 4.29Å; V307-F333 HydrophobicContact CB-CE2 4.35Å; V307-F333 HydrophobicContact CB-CG 4.5Å; V307-F333 HydrophobicContact CG2-CD2 3.72Å; V307-F333 HydrophobicContact CG2-CE2 3.47Å; V307-F333 VanDerWaalsContact CG2-CE2 3.47Å; V307-F333 HydrophobicContact CG2-CG 4.38Å; V307-F333 HydrophobicContact CG2-CZ 3.96Å
308	S	93	Very high	83.1	Confident	64 Å²	64	51 Å²	51	45%	0.448	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.7	168.3	-176.1	0	0	0	0	110.6	K292 D312	K292-S308 PolarHBondContact NZ-O 3.09Å; S308-D312 CarbonylContact C-O 3.55Å; S308-D312 WeakPolarHBondContact CA-O 3.11Å; S308-D312 PolarHBondContact OG-O 3.42Å
309	M	91.1	Very high	83.4	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	122.6	-177.8	-68	167.6	74.9	0	0	107.6	E290 K292 V307 G311 D312 F333 R335 M370	E290-M309 HydrophobicContact CB-CE 3.68Å; E290-M309 HydrophobicContact CG-CE 3.67Å; E290-M309 WeakPolarHBondContact O-CE 3.19Å; E290-M309 WeakPolarHBondContact OE2-CA 3.38Å; E290-M309 WeakPolarHBondContact OE2-CB 3.49Å; K292-M309 HydrophobicContact CB-SD 4.45Å; K292-M309 HydrophobicContact CD-CG 3.77Å; K292-M309 HydrophobicContact CD-SD 4.02Å; K292-M309 HydrophobicContact CG-CE 4.33Å; K292-M309 HydrophobicContact CG-CG 4.47Å; K292-M309 HydrophobicContact CG-SD 4.28Å; V307-M309 HydrophobicContact CG1-CG 3.9Å; V307-M309 HydrophobicContact CG1-SD 4.04Å; M309-G311 PolarHBondContact O-N 3.04Å; M309-D312 PolarHBondContact N-O 3Å; M309-D312 PolarHBondContact O-N 3.34Å; M309-F333 HydrophobicContact SD-CB 3.73Å; M309-R335 HydrophobicContact CB-CB 4.32Å; M309-R335 HydrophobicContact CE-CB 3.82Å; M309-R335 VanDerWaalsContact O-CD 3.27Å; M309-R335 WeakPolarHBondContact O-CD 3.39Å; M309-R335 PolarHBondContact O-NE 2.87Å; M309-M370 HydrophobicContact CB-CE 4.04Å; M309-M370 HydrophobicContact CG-CE 4.22Å; M309-M370 HydrophobicContact SD-CE 3.78Å
310	G	81.8	Confident	83.1	Confident	29 Å²	29	60.1 Å²	60.1	30%	0.299	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	38.1	-176.7	0	0	0	0	0	116.3	E290 D312 R335 R390	E290-G310 PolarHBondContact OE2-N 3.49Å; G310-D312 VanDerWaalsContact C-N 3.26Å; G310-D312 PolarHBondContact O-N 3.45Å; G310-R335 PolarHBondContact O-NH2 2.9Å; G310-R390 PolarHBondContact O-NH2 3.25Å
311	G	85.3	Confident	82.8	Confident	50 Å²	50	61.4 Å²	61.4	52%	0.515	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-9.2	179.5	0	0	0	0	0	115.6	M309	M309-G311 PolarHBondContact O-N 3.04Å
312	D	92.6	Very high	82.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	158.5	168.8	-58.3	-44.2	0	0	0	109.9	S308 M309 G310 R335 Q368 M370 L389 R390	S308-D312 CarbonylContact C-O 3.55Å; S308-D312 WeakPolarHBondContact CA-O 3.11Å; S308-D312 PolarHBondContact OG-O 3.42Å; M309-D312 PolarHBondContact N-O 3Å; M309-D312 PolarHBondContact O-N 3.34Å; G310-D312 VanDerWaalsContact C-N 3.26Å; G310-D312 PolarHBondContact O-N 3.45Å; D312-R335 IonicContact OD2-CZ 2.74Å; D312-R335 VanDerWaalsContact OD2-CZ 3.26Å; D312-R335 IonicContact OD2-NE 3.86Å; D312-R335 PolarHBondContact OD2-NE 2.92Å; D312-R335 IonicContact OD2-NH2 3.7Å; D312-R335 PolarHBondContact OD2-NH2 3.33Å; D312-Q368 PolarHBondContact OD2-OE1 3.07Å; D312-M370 HydrophobicContact CB-SD 4.23Å; D312-L389 HydrophobicContact CB-CD2 3.93Å; D312-R390 WeakPolarHBondContact OD1-CG 3.35Å; D312-R390 PolarHBondContact OD1-N 3.31Å; D312-R390 IonicContact OD1-NE 2.77Å
313	R	95.3	Very high	82.1	Confident	135 Å²	135	62.3 Å²	62.3	51%	0.509	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.5	-177.3	-171.8	173.7	64.6	159.8	0.2	111.3	V307 F387 T388	V307-R313 WeakPolarHBondContact O-CA 3.48Å; R313-F387 CarbonylContact O-C 3.56Å; R313-F387 WeakPolarHBondContact O-CA 3.31Å; R313-T388 PolarHBondContact N-O 3.4Å; R313-T388 PolarHBondContact O-N 3.38Å
314	I	95.2	Very high	81.3	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.1	173.8	-170.2	158.4	0	0	0	109.8	S306 V307 F333 M370 A372 V385 T386 F387 F443	S306-I314 WeakPolarHBondContact CA-O 3.48Å; V307-I314 HydrophobicContact CB-CG2 4.25Å; V307-I314 PolarHBondContact N-O 2.95Å; V307-I314 PolarHBondContact O-N 3.14Å; I314-F333 HydrophobicContact CD1-CD1 4.36Å; I314-F333 HydrophobicContact CD1-CE1 4.47Å; I314-F333 HydrophobicContact CG1-CE1 4.28Å; I314-F333 HydrophobicContact CG2-CD1 3.36Å; I314-F333 HydrophobicContact CG2-CE1 3.52Å; I314-F333 HydrophobicContact CG2-CG 4.24Å; I314-M370 HydrophobicContact CB-CE 3.84Å; I314-M370 HydrophobicContact CB-SD 3.87Å; I314-M370 HydrophobicContact CG2-CE 3.36Å; I314-M370 HydrophobicContact CG2-SD 4.07Å; I314-A372 HydrophobicContact CD1-CB 3.72Å; I314-V385 HydrophobicContact CD1-CG2 3.97Å; I314-V385 HydrophobicContact CG1-CG2 3.71Å; I314-T386 CarbonylContact C-O 3.59Å; I314-F387 HydrophobicContact CB-CB 4.34Å; I314-F387 HydrophobicContact CG1-CB 4.18Å; I314-F443 HydrophobicContact CD1-CD2 4.3Å; I314-F443 HydrophobicContact CD1-CE2 4.38Å
315	T	93.8	Very high	80.3	Confident	19 Å²	19	70.6 Å²	70.6	12%	0.117	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	120.8	-178	-52.7	0	0	0	0	110	L305 S306 V385 T386	L305-T315 CarbonylContact O-C 3.53Å; L305-T315 WeakPolarHBondContact O-CA 3.48Å; S306-T315 PolarHBondContact OG-OG1 3.09Å; T315-V385 WeakPolarHBondContact O-CA 3.5Å; T315-T386 PolarHBondContact N-O 2.98Å; T315-T386 PolarHBondContact O-N 3.25Å
316	L	92.4	Very high	79	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.4	175.1	-56.3	-176.6	0	0	0	109.5	T304 L305 V331 F333 A372 V374 L382 V385 L440	T304-L316 WeakPolarHBondContact CA-O 3.48Å; L305-L316 HydrophobicContact CB-CB 4.47Å; L305-L316 PolarHBondContact N-O 3.14Å; L305-L316 PolarHBondContact O-N 2.97Å; L316-V331 HydrophobicContact CD1-CG1 3.55Å; L316-F333 HydrophobicContact CD1-CE1 3.85Å; L316-F333 HydrophobicContact CD1-CZ 3.57Å; L316-F333 HydrophobicContact CD2-CE1 4.32Å; L316-F333 HydrophobicContact CG-CE1 3.87Å; L316-F333 HydrophobicContact CG-CZ 3.85Å; L316-A372 HydrophobicContact CD2-CB 4.21Å; L316-V374 HydrophobicContact CD1-CG2 4.19Å; L316-L382 HydrophobicContact CB-CD1 4.45Å; L316-L382 HydrophobicContact CD2-CD1 4.21Å; L316-V385 HydrophobicContact CD2-CB 4.03Å; L316-V385 HydrophobicContact CD2-CG2 3.7Å; L316-L440 HydrophobicContact CD2-CD2 3.54Å
317	N	88.9	Confident	78.2	Confident	26 Å²	26	72.4 Å²	72.4	14%	0.139	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.5	176.6	-60.7	-44.9	0	0	0	109.5	T304 D383 H384	T304-N317 WeakPolarHBondContact CG2-OD1 3.31Å; N317-D383 WeakPolarHBondContact O-CB 3.47Å; N317-D383 PolarHBondContact O-N 2.87Å; N317-H384 WeakPolarHBondContact CB-O 3.37Å; N317-H384 PolarHBondContact N-O 2.65Å; N317-H384 VanDerWaalsContact N-O 3.07Å; N317-H384 PolarHBondContact ND2-CD2 3.48Å; N317-H384 PolarHBondContact ND2-CE1 3.12Å; N317-H384 PolarHBondContact ND2-NE2 3.25Å
318	Q	84	Confident	77.6	Confident	26 Å²	26	73.9 Å²	73.9	12%	0.121	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	145.6	-179.6	-168	-179.7	-5.5	0	0	110.9	A303 M320 Y380 Q381	A303-Q318 PolarHBondContact O-N 2.87Å; Q318-M320 PolarHBondContact O-N 3.45Å; Q318-Y380 HydrophobicContact CB-CE2 4.39Å; Q318-Y380 HydrophobicContact CG-CE2 4.3Å; Q318-Q381 WeakPolarHBondContact CG-O 3.19Å
319	K	80.9	Confident	77.2	Confident	102 Å²	102	70.9 Å²	70.9	44%	0.443	37%	0.371	S	S	.	.			trans	-66.2	132.7	170.7	-68.4	-175.9	-178.2	175	0	110.7	K321 Q381 L382 D383	K319-K321 PolarHBondContact O-N 3.28Å; K319-Q381 HydrophobicContact CB-CB 4.46Å; K319-Q381 PolarHBondContact N-O 3.39Å; K319-L382 WeakPolarHBondContact CE-O 3.33Å; K319-D383 WeakPolarHBondContact CE-OD1 3.35Å; K319-D383 HydrophobicContact CG-CB 3.6Å
320	M	60.8	Low	77.1	Confident	187 Å²	187	70.9 Å²	70.9	92%	0.921	37%	0.371	S	S	*	.	S	Bend	trans	-71.8	19.3	-168.6	-156.2	172.4	159.6	0	0	115.9	Q318	Q318-M320 PolarHBondContact O-N 3.45Å
321	K	57.6	Low	77.6	Confident	183 Å²	183	69.5 Å²	69.5	80%	0.796	36%	0.357	S	S	*	.			trans	-144.6	92	176	-77.6	-173.3	177.8	179.3	0	112.6	K319	K319-K321 PolarHBondContact O-N 3.28Å
322	P	54.6	Low	78	Confident	70 Å²	70	67.1 Å²	67.1	46%	0.455	33%	0.332	S	S	.	.			trans	-90	125.2	153.7	15.3	1.2	0	0	0	109.2	K324	P322-K324 PolarHBondContact O-N 3.26Å
323	E	54.7	Low	78.1	Confident	170 Å²	170	67.1 Å²	67.1	79%	0.794	33%	0.332	S	S	*	.			trans	-48.7	138.6	144.9	-78.7	178.5	145.4	0	0	107.4	K325	E323-K325 PolarHBondContact O-N 3.34Å
324	K	53.4	Low	78.1	Confident	212 Å²	212	60.7 Å²	60.7	92%	0.922	31%	0.308	S	S	*	.			trans	-60.5	81	-177.7	-73.4	-178.9	176.6	-179.9	0	111.1	P322	P322-K324 PolarHBondContact O-N 3.26Å
325	K	59.9	Low	78.2	Confident	103 Å²	103	61.2 Å²	61.2	45%	0.448	31%	0.31	S	S	.	.			trans	-85.9	113.7	165.8	-72.3	-172	176.2	-175.8	0	107.2	E323 D378	E323-K325 PolarHBondContact O-N 3.34Å; K325-D378 IonicContact NZ-OD2 3.04Å
326	S	61.4	Low	78.2	Confident	113 Å²	113	60.3 Å²	60.3	79%	0.79	31%	0.305	S	S	*	.			trans	-73.8	124.2	170.8	55.3	0	0	0	0	109.4
327	G	72.3	Confident	78.2	Confident	24 Å²	24	62.5 Å²	62.5	25%	0.247	32%	0.316	C	S	.	.			trans	-179.2	147.7	177.6	0	0	0	0	0	112.6	A298	A298-G327 WeakPolarHBondContact CB-O 3.35Å; A298-G327 PolarHBondContact N-O 3.48Å
328	S	79.8	Confident	78.2	Confident	38 Å²	38	62.2 Å²	62.2	27%	0.266	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.6	170.6	-173.8	0	0	0	0	109.1	H276 P376	H276-S328 PolarHBondContact O-OG 2.88Å; S328-P376 WeakPolarHBondContact O-CD 3.11Å
329	V	86.4	Confident	78.6	Confident	1 Å²	1	61 Å²	61	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.4	175.9	176.5	0	0	0	0	108.4	T295 F296 A298 V331 V374 V379 Y380	T295-V329 WeakPolarHBondContact CA-O 3.1Å; F296-V329 HydrophobicContact CD2-CB 4.17Å; F296-V329 HydrophobicContact CE2-CB 3.7Å; F296-V329 HydrophobicContact CE2-CG1 3.88Å; F296-V329 HydrophobicContact CE2-CG2 4.4Å; F296-V329 HydrophobicContact CZ-CB 4.13Å; F296-V329 HydrophobicContact CZ-CG1 3.84Å; F296-V329 PolarHBondContact N-O 3.04Å; F296-V329 PolarHBondContact O-N 3.09Å; A298-V329 HydrophobicContact CB-CG2 4.02Å; V329-V331 HydrophobicContact CG1-CG2 4.2Å; V329-V374 HydrophobicContact CG1-CG1 3.75Å; V329-V379 HydrophobicContact CG2-CB 4.13Å; V329-V379 HydrophobicContact CG2-CG1 3.62Å; V329-Y380 HydrophobicContact CG1-CD2 4.1Å; V329-Y380 HydrophobicContact CG1-CG 4.26Å
330	S	88.7	Confident	78.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.3	173.4	-59.4	0	0	0	0	110.2	G273 S274 F294 V374 K375	G273-S330 PolarHBondContact O-OG 3.43Å; S274-S330 PolarHBondContact N-OG 3.04Å; F294-S330 CarbonylContact O-C 3.58Å; F294-S330 VanDerWaalsContact O-CA 3.32Å; F294-S330 WeakPolarHBondContact O-CA 3.49Å; S330-V374 WeakPolarHBondContact O-CA 3.35Å; S330-K375 PolarHBondContact N-O 3.42Å; S330-K375 PolarHBondContact O-N 3.21Å
331	V	91.5	Very high	80	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126	176.9	-175.7	0	0	0	0	108.3	F294 F296 L305 L316 V329 F333 A373 V374	F294-V331 HydrophobicContact CB-CB 4.38Å; F294-V331 PolarHBondContact N-O 3.17Å; F294-V331 PolarHBondContact O-N 2.82Å; F296-V331 HydrophobicContact CE1-CG2 3.65Å; F296-V331 HydrophobicContact CZ-CG2 3.75Å; L305-V331 HydrophobicContact CD2-CB 4.15Å; L305-V331 HydrophobicContact CD2-CG1 4.03Å; L305-V331 HydrophobicContact CD2-CG2 4.13Å; L316-V331 HydrophobicContact CD1-CG1 3.55Å; V329-V331 HydrophobicContact CG1-CG2 4.2Å; V331-F333 HydrophobicContact CB-CE2 4.49Å; V331-F333 HydrophobicContact CG1-CD2 4.23Å; V331-F333 HydrophobicContact CG1-CE1 4.37Å; V331-F333 HydrophobicContact CG1-CE2 3.55Å; V331-F333 HydrophobicContact CG1-CZ 3.65Å; V331-A373 WeakPolarHBondContact CA-O 3.31Å; V331-V374 HydrophobicContact CB-CG2 4.34Å; V331-V374 HydrophobicContact CG1-CG2 3.95Å; V331-V374 HydrophobicContact CG2-CG1 4.22Å; V331-V374 HydrophobicContact CG2-CG2 3.94Å
332	V	93.6	Very high	81.5	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.6	173.8	68.4	0	0	0	0	110	A269 L270 L291 K292 L293 V334 A372 A373	A269-V332 HydrophobicContact CB-CB 4.31Å; A269-V332 HydrophobicContact CB-CG2 3.73Å; L270-V332 HydrophobicContact CD1-CG1 4.32Å; L270-V332 HydrophobicContact CD2-CB 4.11Å; L270-V332 HydrophobicContact CD2-CG1 3.76Å; L270-V332 HydrophobicContact CG-CB 4.44Å; L270-V332 HydrophobicContact CG-CG1 3.76Å; L291-V332 HydrophobicContact CD1-CG2 4.21Å; L291-V332 HydrophobicContact CD2-CG2 4.13Å; L291-V332 HydrophobicContact CG-CG2 3.98Å; K292-V332 CarbonylContact O-C 3.56Å; K292-V332 WeakPolarHBondContact O-CA 3.49Å; L293-V332 HydrophobicContact CD1-CB 4.2Å; V332-V334 HydrophobicContact CG2-CG2 3.91Å; V332-A372 VanDerWaalsContact O-CA 3.31Å; V332-A372 WeakPolarHBondContact O-CA 3.35Å; V332-A373 HydrophobicContact CG1-CB 3.92Å; V332-A373 PolarHBondContact N-O 3.41Å; V332-A373 PolarHBondContact O-N 2.63Å
333	F	95.6	Very high	83.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.9	168.2	-59.3	-82.4	0	0	0	108.8	L291 K292 F294 L305 V307 M309 I314 L316 V331 A371 A372	L291-F333 WeakPolarHBondContact CA-O 3.38Å; K292-F333 HydrophobicContact CB-CB 4.42Å; K292-F333 PolarHBondContact N-O 3.41Å; K292-F333 PolarHBondContact O-N 3.24Å; F294-F333 AromaticContact CD2-CD2 3.9Å; F294-F333 HydrophobicContact CD2-CD2 3.9Å; F294-F333 AromaticContact CD2-CE2 3.84Å; F294-F333 HydrophobicContact CD2-CE2 3.84Å; F294-F333 AromaticContact CE2-CD2 3.94Å; F294-F333 HydrophobicContact CE2-CD2 3.94Å; F294-F333 HydrophobicContact CE2-CE2 4.02Å; L305-F333 HydrophobicContact CD2-CE2 3.9Å; L305-F333 HydrophobicContact CD2-CZ 4Å; L305-F333 HydrophobicContact CG-CE2 4.36Å; L305-F333 HydrophobicContact CG-CZ 4.31Å; V307-F333 HydrophobicContact CB-CD2 4.29Å; V307-F333 HydrophobicContact CB-CE2 4.35Å; V307-F333 HydrophobicContact CB-CG 4.5Å; V307-F333 HydrophobicContact CG2-CD2 3.72Å; V307-F333 HydrophobicContact CG2-CE2 3.47Å; V307-F333 VanDerWaalsContact CG2-CE2 3.47Å; V307-F333 HydrophobicContact CG2-CG 4.38Å; V307-F333 HydrophobicContact CG2-CZ 3.96Å; M309-F333 HydrophobicContact SD-CB 3.73Å; I314-F333 HydrophobicContact CD1-CD1 4.36Å; I314-F333 HydrophobicContact CD1-CE1 4.47Å; I314-F333 HydrophobicContact CG1-CE1 4.28Å; I314-F333 HydrophobicContact CG2-CD1 3.36Å; I314-F333 HydrophobicContact CG2-CE1 3.52Å; I314-F333 HydrophobicContact CG2-CG 4.24Å; L316-F333 HydrophobicContact CD1-CE1 3.85Å; L316-F333 HydrophobicContact CD1-CZ 3.57Å; L316-F333 HydrophobicContact CD2-CE1 4.32Å; L316-F333 HydrophobicContact CG-CE1 3.87Å; L316-F333 HydrophobicContact CG-CZ 3.85Å; V331-F333 HydrophobicContact CB-CE2 4.49Å; V331-F333 HydrophobicContact CG1-CD2 4.23Å; V331-F333 HydrophobicContact CG1-CE1 4.37Å; V331-F333 HydrophobicContact CG1-CE2 3.55Å; V331-F333 HydrophobicContact CG1-CZ 3.65Å; F333-A371 WeakPolarHBondContact CA-O 3.36Å; F333-A372 HydrophobicContact CD1-CB 3.69Å; F333-A372 HydrophobicContact CE1-CB 3.78Å
334	V	95.7	Very high	84.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.3	-179.8	-167.1	0	0	0	0	108.8	V265 L289 E290 L291 V332 Y336 M370 A371	V265-V334 HydrophobicContact CG1-CG1 4.25Å; V265-V334 HydrophobicContact CG1-CG2 4.17Å; L289-V334 HydrophobicContact CD1-CG1 3.57Å; L289-V334 HydrophobicContact CG-CG1 4.35Å; E290-V334 CarbonylContact O-C 3.59Å; E290-V334 WeakPolarHBondContact O-CA 3.48Å; L291-V334 HydrophobicContact CD1-CG2 4.07Å; L291-V334 HydrophobicContact CG-CG2 4.23Å; V332-V334 HydrophobicContact CG2-CG2 3.91Å; V334-Y336 HydrophobicContact CB-CE2 4.05Å; V334-Y336 HydrophobicContact CG1-CD2 4.07Å; V334-Y336 HydrophobicContact CG1-CE1 4.39Å; V334-Y336 HydrophobicContact CG1-CE2 3.42Å; V334-Y336 VanDerWaalsContact CG1-CE2 3.42Å; V334-M370 CarbonylContact O-C 3.55Å; V334-M370 WeakPolarHBondContact O-CA 3.46Å; V334-A371 HydrophobicContact CB-CB 4.4Å; V334-A371 PolarHBondContact N-O 2.75Å; V334-A371 PolarHBondContact O-N 3.27Å
335	R	95.6	Very high	85.6	Confident	10 Å²	10	26.8 Å²	26.8	4%	0.038	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.6	175.9	-179.7	175.1	-178.8	-90.8	-5	108.7	L289 E290 M309 G310 D312 D337	L289-R335 WeakPolarHBondContact CA-O 3.38Å; E290-R335 HydrophobicContact CB-CB 4.38Å; E290-R335 PolarHBondContact N-O 2.97Å; E290-R335 PolarHBondContact O-N 3.19Å; M309-R335 HydrophobicContact CB-CB 4.32Å; M309-R335 HydrophobicContact CE-CB 3.82Å; M309-R335 VanDerWaalsContact O-CD 3.27Å; M309-R335 WeakPolarHBondContact O-CD 3.39Å; M309-R335 PolarHBondContact O-NE 2.87Å; G310-R335 PolarHBondContact O-NH2 2.9Å; D312-R335 IonicContact OD2-CZ 2.74Å; D312-R335 VanDerWaalsContact OD2-CZ 3.26Å; D312-R335 IonicContact OD2-NE 3.86Å; D312-R335 PolarHBondContact OD2-NE 2.92Å; D312-R335 IonicContact OD2-NH2 3.7Å; D312-R335 PolarHBondContact OD2-NH2 3.33Å; R335-D337 IonicContact CZ-OD1 3.94Å; R335-D337 IonicContact NE-OD1 2.94Å; R335-D337 VanDerWaalsContact NH1-CG 3.33Å; R335-D337 IonicContact NH1-OD1 3.8Å; R335-D337 PolarHBondContact NH1-OD1 3.42Å; R335-D337 IonicContact NH1-OD2 2.75Å; R335-D337 PolarHBondContact NH1-OD2 3.05Å; R335-D337 VanDerWaalsContact NH1-OD2 3.08Å; R335-D337 IonicContact NH2-OD1 3.26Å; R335-D337 PolarHBondContact NH2-OD1 3.16Å
336	Y	95.3	Very high	86.1	Confident	1 Å²	1	24.9 Å²	24.9	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.6	176.9	-59.9	-96.1	0	0	0	109.2	V234 L262 E288 L289 V334 I339 Q368 V369	V234-Y336 HydrophobicContact CG1-CE1 4.32Å; L262-Y336 HydrophobicContact CD2-CD2 4.22Å; L262-Y336 HydrophobicContact CD2-CE1 3.99Å; L262-Y336 HydrophobicContact CD2-CE2 3.57Å; L262-Y336 VanDerWaalsContact CD2-CZ 3.44Å; E288-Y336 WeakPolarHBondContact O-CA 3.47Å; L289-Y336 HydrophobicContact CD1-CD1 3.26Å; L289-Y336 HydrophobicContact CD1-CD2 4.36Å; L289-Y336 HydrophobicContact CD1-CE1 3.18Å; L289-Y336 HydrophobicContact CD1-CE2 4.28Å; L289-Y336 HydrophobicContact CD1-CG 3.88Å; V334-Y336 HydrophobicContact CB-CE2 4.05Å; V334-Y336 HydrophobicContact CG1-CD2 4.07Å; V334-Y336 HydrophobicContact CG1-CE1 4.39Å; V334-Y336 HydrophobicContact CG1-CE2 3.42Å; V334-Y336 VanDerWaalsContact CG1-CE2 3.42Å; Y336-I339 HydrophobicContact CD1-CD1 3.94Å; Y336-I339 HydrophobicContact CD1-CG2 4.07Å; Y336-I339 HydrophobicContact CD2-CD1 3.85Å; Y336-I339 HydrophobicContact CG-CD1 3.52Å; Y336-I339 HydrophobicContact CG-CG1 4.13Å; Y336-I339 HydrophobicContact CG-CG2 4.42Å; Y336-Q368 WeakPolarHBondContact O-CB 3.22Å; Y336-V369 PolarHBondContact N-O 3Å; Y336-V369 PolarHBondContact O-N 3.18Å; Y336-V369 VanDerWaalsContact O-N 3.11Å
337	D	91.9	Very high	86.3	Confident	46 Å²	46	22.4 Å²	22.4	25%	0.246	14%	0.137	C	C	.	.	S	Bend	trans	-84.9	-33.9	-177.2	-78.6	-49.5	0	0	0	112.6	E288 R335 Q368	E288-D337 PolarHBondContact O-N 3.27Å; E288-D337 WeakPolarHBondContact OE2-CB 3.48Å; R335-D337 IonicContact CZ-OD1 3.94Å; R335-D337 IonicContact NE-OD1 2.94Å; R335-D337 VanDerWaalsContact NH1-CG 3.33Å; R335-D337 IonicContact NH1-OD1 3.8Å; R335-D337 PolarHBondContact NH1-OD1 3.42Å; R335-D337 IonicContact NH1-OD2 2.75Å; R335-D337 PolarHBondContact NH1-OD2 3.05Å; R335-D337 VanDerWaalsContact NH1-OD2 3.08Å; R335-D337 IonicContact NH2-OD1 3.26Å; R335-D337 PolarHBondContact NH2-OD1 3.16Å; D337-Q368 VanDerWaalsContact OD1-CG 3.25Å; D337-Q368 WeakPolarHBondContact OD1-CG 3.49Å
338	S	88.7	Confident	86	Confident	19 Å²	19	22 Å²	22	13%	0.133	13%	0.13	C	C	.	.	S	Bend	trans	-113.1	2.5	-169.2	-74.6	0	0	0	0	117.5	V238 T240 L243 E288 S340	V238-S338 WeakPolarHBondContact O-CB 3.37Å; T240-S338 WeakPolarHBondContact CG2-OG 3.42Å; L243-S338 WeakPolarHBondContact CD2-O 3.43Å; E288-S338 VanDerWaalsContact CD-OG 3.23Å; E288-S338 VanDerWaalsContact OE2-CB 3.27Å; E288-S338 WeakPolarHBondContact OE2-CB 3.38Å; E288-S338 PolarHBondContact OE2-OG 3.02Å; S338-S340 VanDerWaalsContact C-N 3.31Å; S338-S340 PolarHBondContact O-N 2.63Å
339	I	91.8	Very high	85.1	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.6	-176.5	70.6	173.9	0	0	0	114.8	V238 I258 L262 Y336 D341 I342 L343 V369	V238-I339 HydrophobicContact CB-CG2 3.77Å; V238-I339 HydrophobicContact CG1-CG2 3.71Å; I258-I339 HydrophobicContact CD1-CG2 4.47Å; L262-I339 HydrophobicContact CD2-CD1 3.93Å; Y336-I339 HydrophobicContact CD1-CD1 3.94Å; Y336-I339 HydrophobicContact CD1-CG2 4.07Å; Y336-I339 HydrophobicContact CD2-CD1 3.85Å; Y336-I339 HydrophobicContact CG-CD1 3.52Å; Y336-I339 HydrophobicContact CG-CG1 4.13Å; Y336-I339 HydrophobicContact CG-CG2 4.42Å; I339-D341 VanDerWaalsContact C-N 3.26Å; I339-D341 PolarHBondContact O-N 3.16Å; I339-I342 HydrophobicContact CB-CD1 4.21Å; I339-I342 HydrophobicContact CG2-CD1 4.12Å; I339-I342 WeakPolarHBondContact O-CB 3.48Å; I339-I342 PolarHBondContact O-N 3.01Å; I339-I342 VanDerWaalsContact O-N 3.09Å; I339-L343 HydrophobicContact CD1-CD1 3.67Å; I339-L343 HydrophobicContact CG1-CD1 4Å; I339-L343 PolarHBondContact O-N 2.83Å; I339-L343 VanDerWaalsContact O-N 3.09Å; I339-V369 HydrophobicContact CD1-CB 3.84Å; I339-V369 HydrophobicContact CD1-CG1 4.06Å; I339-V369 HydrophobicContact CD1-CG2 4.03Å; I339-V369 HydrophobicContact CG1-CB 3.93Å; I339-V369 HydrophobicContact CG1-CG2 3.74Å
340	S	86.7	Confident	83.6	Confident	10 Å²	10	24.1 Å²	24.1	7%	0.07	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.8	-175.6	-58.5	0	0	0	0	113	S338 S367	S338-S340 VanDerWaalsContact C-N 3.31Å; S338-S340 PolarHBondContact O-N 2.63Å; S340-S367 PolarHBondContact OG-O 3.36Å
341	D	85	Confident	81.9	Confident	102 Å²	102	26.5 Å²	26.5	55%	0.545	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-33.9	175.6	-71.1	-28.7	0	0	0	112.8	I339 L343 K344	I339-D341 VanDerWaalsContact C-N 3.26Å; I339-D341 PolarHBondContact O-N 3.16Å; D341-L343 VanDerWaalsContact C-N 3.32Å; D341-K344 PolarHBondContact O-N 2.87Å
342	I	89.9	Confident	79.7	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.01	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-40.8	177.8	-51.6	176	0	0	0	109.9	L243 W246 R254 I258 I339 K344	L243-I342 HydrophobicContact CD2-CD1 3.62Å; L243-I342 HydrophobicContact CD2-CG1 3.42Å; L243-I342 VanDerWaalsContact CD2-CG1 3.42Å; W246-I342 HydrophobicContact CB-CD1 4.3Å; W246-I342 HydrophobicContact CB-CG1 4.12Å; W246-I342 HydrophobicContact CB-CG2 4.41Å; W246-I342 HydrophobicContact CD2-CD1 3.83Å; W246-I342 HydrophobicContact CD2-CG1 4.47Å; W246-I342 HydrophobicContact CD2-CG2 4.14Å; W246-I342 HydrophobicContact CE3-CD1 4.48Å; W246-I342 HydrophobicContact CE3-CG2 3.83Å; W246-I342 HydrophobicContact CG-CD1 3.73Å; W246-I342 HydrophobicContact CG-CG1 4.1Å; W246-I342 HydrophobicContact CG-CG2 4.42Å; W246-I342 HydrophobicContact CZ3-CG2 4.39Å; R254-I342 HydrophobicContact CG-CG2 3.85Å; R254-I342 PolarHBondContact NE-O 3.37Å; I258-I342 HydrophobicContact CB-CG2 3.97Å; I258-I342 HydrophobicContact CD1-CD1 4.22Å; I258-I342 HydrophobicContact CD1-CG2 4.23Å; I258-I342 HydrophobicContact CG1-CG2 3.94Å; I258-I342 HydrophobicContact CG2-CG2 4.29Å; I339-I342 HydrophobicContact CB-CD1 4.21Å; I339-I342 HydrophobicContact CG2-CD1 4.12Å; I339-I342 WeakPolarHBondContact O-CB 3.48Å; I339-I342 PolarHBondContact O-N 3.01Å; I339-I342 VanDerWaalsContact O-N 3.09Å; I342-K344 VanDerWaalsContact C-N 3.28Å; I342-K344 PolarHBondContact O-N 2.78Å
343	L	88.8	Confident	77	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	29	-179.1	-65.1	171	0	0	0	112.5	I258 L262 I339 D341 V365 V369 W407 W418	I258-L343 HydrophobicContact CB-CD2 4.48Å; I258-L343 HydrophobicContact CG1-CD2 4Å; I258-L343 HydrophobicContact CG1-CG 4.28Å; I258-L343 HydrophobicContact CG2-CD2 3.56Å; L262-L343 HydrophobicContact CD1-CD1 4.42Å; I339-L343 HydrophobicContact CD1-CD1 3.67Å; I339-L343 HydrophobicContact CG1-CD1 4Å; I339-L343 PolarHBondContact O-N 2.83Å; I339-L343 VanDerWaalsContact O-N 3.09Å; D341-L343 VanDerWaalsContact C-N 3.32Å; L343-V365 WeakPolarHBondContact O-CG2 3.28Å; L343-V369 HydrophobicContact CD1-CG2 4.08Å; L343-W407 HydrophobicContact CB-CZ3 4.47Å; L343-W407 HydrophobicContact CD2-CD2 3.95Å; L343-W407 HydrophobicContact CD2-CE3 3.91Å; L343-W407 HydrophobicContact CD2-CH2 3.63Å; L343-W407 HydrophobicContact CD2-CZ2 3.66Å; L343-W407 HydrophobicContact CD2-CZ3 3.75Å; L343-W418 HydrophobicContact CB-CZ2 3.76Å; L343-W418 HydrophobicContact CD1-CH2 4.46Å; L343-W418 HydrophobicContact CD1-CZ2 4.06Å; L343-W418 HydrophobicContact CG-CZ2 4.47Å; L343-W418 PolarHBondContact O-NE1 3.48Å
344	K	83.7	Confident	74.2	Confident	71 Å²	71	45.1 Å²	45.1	31%	0.309	26%	0.264	S	S	.	.			trans	-61.1	128.2	176.1	-169.7	174.5	-172.9	172.4	0	110.5	D341 I342 S346 E362	D341-K344 PolarHBondContact O-N 2.87Å; I342-K344 VanDerWaalsContact C-N 3.28Å; I342-K344 PolarHBondContact O-N 2.78Å; K344-S346 PolarHBondContact O-N 3.07Å; K344-E362 WeakPolarHBondContact CE-OE1 3.18Å; K344-E362 IonicContact NZ-OE1 3.96Å; K344-E362 PolarHBondContact NZ-OE1 2.8Å; K344-E362 IonicContact NZ-OE2 3.21Å; K344-E362 PolarHBondContact NZ-OE2 2.04Å
345	P	76.5	Confident	71.5	Confident	19 Å²	19	49.8 Å²	49.8	12%	0.123	30%	0.296	C	S	.	.			trans	-67.7	132.2	-177.6	23.2	-30.8	0	0	0	112.2	I363 L446	P345-I363 HydrophobicContact CG-CB 3.91Å; P345-I363 HydrophobicContact CG-CG2 3.61Å; P345-L446 HydrophobicContact CG-CD2 4.34Å
346	S	69.1	Low	68.8	Low	63 Å²	63	59.2 Å²	59.2	44%	0.441	33%	0.332	S	S	.	.	S	Bend	trans	-75.1	-25.8	172.9	61	0	0	0	0	113.3	E251 K344	E251-S346 WeakPolarHBondContact OE1-CB 3.43Å; K344-S346 PolarHBondContact O-N 3.07Å
347	S	66.6	Low	66.2	Low	61 Å²	61	62.4 Å²	62.4	43%	0.427	34%	0.344	S	S	.	.	S	Bend	trans	-147.8	161.4	-177.6	58.3	0	0	0	0	111.8	P349	S347-P349 WeakPolarHBondContact O-CD 3.28Å
348	D	65.4	Low	63.6	Low	17 Å²	17	65 Å²	65	9%	0.091	37%	0.372	C	S	.	.			trans	-78.4	112.5	178.5	-168.4	1.9	0	0	0	111.9	G350 V351 Y357 I363 K403	D348-G350 PolarHBondContact O-N 3.17Å; D348-G350 VanDerWaalsContact O-N 3.09Å; D348-V351 PolarHBondContact O-N 3.46Å; D348-Y357 HydrophobicContact CB-CD1 4.44Å; D348-Y357 HydrophobicContact CB-CE1 4.18Å; D348-Y357 WeakPolarHBondContact OD2-CE1 3.46Å; D348-Y357 PolarHBondContact OD2-OH 3.43Å; D348-I363 HydrophobicContact CB-CD1 3.26Å; D348-I363 WeakPolarHBondContact OD1-CD1 3.41Å; D348-K403 IonicContact OD1-NZ 2.99Å; D348-K403 PolarHBondContact OD1-NZ 3.44Å; D348-K403 IonicContact OD2-NZ 3.42Å; D348-K403 PolarHBondContact OD2-NZ 2.94Å
349	P	60.8	Low	61.5	Low	13 Å²	13	65.7 Å²	65.7	8%	0.084	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	112	176.8	28	-34	0	0	0	111.5	S347 W418 T420 L446	S347-P349 WeakPolarHBondContact O-CD 3.28Å; P349-W418 HydrophobicContact CB-CB 4.43Å; P349-W418 WeakPolarHBondContact CB-O 3.46Å; P349-W418 HydrophobicContact CG-CB 4.06Å; P349-T420 HydrophobicContact CB-CG2 4.16Å; P349-T420 HydrophobicContact CG-CG2 4.08Å; P349-T420 PolarHBondContact O-OG1 2.9Å; P349-L446 HydrophobicContact CG-CD1 3.44Å; P349-L446 VanDerWaalsContact CG-CD1 3.44Å
350	G	55.1	Low	59.3	Low	70 Å²	70	67.8 Å²	67.8	72%	0.722	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.7	4.3	175.5	0	0	0	0	0	115.7	D348	D348-G350 PolarHBondContact O-N 3.17Å; D348-G350 VanDerWaalsContact O-N 3.09Å
351	V	52.9	Low	57.7	Low	49 Å²	49	68.7 Å²	68.7	30%	0.297	41%	0.406	S	S	.	.			trans	-122.7	115	177.2	-177.1	0	0	0	0	110.2	D348 Y357	D348-V351 PolarHBondContact O-N 3.46Å; V351-Y357 HydrophobicContact CB-CE2 4.41Å; V351-Y357 HydrophobicContact CG1-CD2 3.92Å; V351-Y357 HydrophobicContact CG1-CE2 3.8Å; V351-Y357 HydrophobicContact CG2-CE1 4.47Å; V351-Y357 HydrophobicContact CG2-CE2 3.99Å
352	T	44.3	Very low	56.6	Low	154 Å²	154	70 Å²	70	95%	0.945	41%	0.409	S	S	*	.			trans	-88.6	-6.1	-178	53.4	0	0	0	0	114.1
353	D	37.4	Very low	55.9	Low	79 Å²	79	70.9 Å²	70.9	42%	0.422	41%	0.413	S	S	.	.			trans	-124.4	91.9	-174.4	-166.3	-0.7	0	0	0	111.1	S355	D353-S355 VanDerWaalsContact CG-OG 3.32Å; D353-S355 PolarHBondContact O-N 3.08Å; D353-S355 WeakPolarHBondContact OD1-CB 3.43Å; D353-S355 PolarHBondContact OD1-N 3.19Å; D353-S355 PolarHBondContact OD1-OG 2.95Å
354	Y	37.3	Very low	55.7	Low	160 Å²	160	72.9 Å²	72.9	63%	0.627	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-60.8	-21.6	-178.9	-121.7	-96.6	0	0	0	113.2	R356 Y357	Y354-R356 PolarHBondContact O-N 3.03Å; Y354-Y357 PolarHBondContact O-N 3.07Å
355	S	39	Very low	56	Low	97 Å²	97	70 Å²	70	68%	0.678	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-66.6	-21.1	-174.1	68	0	0	0	0	113.6	D353	D353-S355 VanDerWaalsContact CG-OG 3.32Å; D353-S355 PolarHBondContact O-N 3.08Å; D353-S355 WeakPolarHBondContact OD1-CB 3.43Å; D353-S355 PolarHBondContact OD1-N 3.19Å; D353-S355 PolarHBondContact OD1-OG 2.95Å
356	R	37.7	Very low	56.7	Low	208 Å²	208	69.4 Å²	69.4	79%	0.785	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-88.1	-7.8	176.4	-146.2	-177.3	-69	-176.9	-0.4	113.3	Y354	Y354-R356 PolarHBondContact O-N 3.03Å
357	Y	41.2	Very low	57.9	Low	68 Å²	68	66.4 Å²	66.4	27%	0.267	39%	0.389	S	S	.	.			trans	-112	2.1	-164.5	-97.8	-116.4	0	0	0	115.2	D348 V351 Y354 G359 T360	D348-Y357 HydrophobicContact CB-CD1 4.44Å; D348-Y357 HydrophobicContact CB-CE1 4.18Å; D348-Y357 WeakPolarHBondContact OD2-CE1 3.46Å; D348-Y357 PolarHBondContact OD2-OH 3.43Å; V351-Y357 HydrophobicContact CB-CE2 4.41Å; V351-Y357 HydrophobicContact CG1-CD2 3.92Å; V351-Y357 HydrophobicContact CG1-CE2 3.8Å; V351-Y357 HydrophobicContact CG2-CE1 4.47Å; V351-Y357 HydrophobicContact CG2-CE2 3.99Å; Y354-Y357 PolarHBondContact O-N 3.07Å; Y357-G359 PolarHBondContact O-N 3.42Å; Y357-T360 HydrophobicContact CD1-CG2 3.95Å; Y357-T360 WeakPolarHBondContact CD1-OG1 3.3Å; Y357-T360 HydrophobicContact CD2-CG2 4.37Å; Y357-T360 HydrophobicContact CE1-CG2 3.71Å; Y357-T360 WeakPolarHBondContact CE1-OG1 3.45Å; Y357-T360 HydrophobicContact CE2-CG2 4.22Å; Y357-T360 HydrophobicContact CG-CG2 4.21Å; Y357-T360 PolarHBondContact O-N 2.99Å; Y357-T360 VanDerWaalsContact O-N 3.13Å; Y357-T360 PolarHBondContact O-OG1 3.38Å; Y357-T360 VanDerWaalsContact O-OG1 3.11Å
358	A	38.1	Very low	59.2	Low	100 Å²	100	64.6 Å²	64.6	83%	0.826	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-1.1	164.8	0	0	0	0	0	113.5
359	G	44.1	Very low	60.6	Low	34 Å²	34	63.8 Å²	63.8	35%	0.351	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	7.9	175.8	0	0	0	0	0	116	Y357 N453	Y357-G359 PolarHBondContact O-N 3.42Å; G359-N453 PolarHBondContact O-ND2 3.25Å
360	T	45.6	Very low	62.2	Low	45 Å²	45	63.2 Å²	63.2	28%	0.276	37%	0.366	S	S	.	.	S	Bend	trans	-111.3	116.7	170.6	52.6	0	0	0	0	107.6	Y357 N453	Y357-T360 HydrophobicContact CD1-CG2 3.95Å; Y357-T360 WeakPolarHBondContact CD1-OG1 3.3Å; Y357-T360 HydrophobicContact CD2-CG2 4.37Å; Y357-T360 HydrophobicContact CE1-CG2 3.71Å; Y357-T360 WeakPolarHBondContact CE1-OG1 3.45Å; Y357-T360 HydrophobicContact CE2-CG2 4.22Å; Y357-T360 HydrophobicContact CG-CG2 4.21Å; Y357-T360 PolarHBondContact O-N 2.99Å; Y357-T360 VanDerWaalsContact O-N 3.13Å; Y357-T360 PolarHBondContact O-OG1 3.38Å; Y357-T360 VanDerWaalsContact O-OG1 3.11Å; T360-N453 WeakPolarHBondContact CA-ND2 2.99Å
361	G	52.8	Low	64.1	Low	28 Å²	28	59.9 Å²	59.9	29%	0.289	33%	0.331	S	S	.	.			trans	-70.1	-170.2	-172.2	0	0	0	0	0	113	I363 N453	G361-I363 PolarHBondContact O-N 3.05Å; G361-N453 WeakPolarHBondContact CA-OD1 3.22Å; G361-N453 PolarHBondContact N-ND2 3.28Å; G361-N453 PolarHBondContact N-OD1 3.4Å
362	E	62.6	Low	66.1	Low	130 Å²	130	57.6 Å²	57.6	61%	0.607	32%	0.317	S	S	*	.			trans	-59.4	127.6	-170.3	-158.8	170.6	-143.2	0	0	111.8	K344	K344-E362 WeakPolarHBondContact CE-OE1 3.18Å; K344-E362 IonicContact NZ-OE1 3.96Å; K344-E362 PolarHBondContact NZ-OE1 2.8Å; K344-E362 IonicContact NZ-OE2 3.21Å; K344-E362 PolarHBondContact NZ-OE2 2.04Å
363	I	75.7	Confident	68.4	Low	20 Å²	20	50.8 Å²	50.8	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	132.1	174.8	-60.3	173.3	0	0	0	107.4	P345 D348 G361 L446 M447	P345-I363 HydrophobicContact CG-CB 3.91Å; P345-I363 HydrophobicContact CG-CG2 3.61Å; D348-I363 HydrophobicContact CB-CD1 3.26Å; D348-I363 WeakPolarHBondContact OD1-CD1 3.41Å; G361-I363 PolarHBondContact O-N 3.05Å; I363-L446 HydrophobicContact CG2-CB 4.11Å; I363-M447 WeakPolarHBondContact CA-O 3.39Å
364	T	84.6	Confident	70.9	Confident	44 Å²	44	48 Å²	48	27%	0.27	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.3	-177.8	53.9	0	0	0	0	110.2	N366 L446 M447	T364-N366 PolarHBondContact O-N 3.29Å; T364-L446 WeakPolarHBondContact O-CA 3.41Å; T364-M447 PolarHBondContact N-O 2.04Å; T364-M447 PolarHBondContact O-N 3.37Å
365	V	89.9	Confident	73.3	Confident	12 Å²	12	44.2 Å²	44.2	7%	0.073	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	102.4	171	-176.3	0	0	0	0	107.3	L343 S367 W418 A444 L446	L343-V365 WeakPolarHBondContact O-CG2 3.28Å; V365-S367 VanDerWaalsContact C-N 3.34Å; V365-S367 PolarHBondContact O-N 2.82Å; V365-W418 HydrophobicContact CG2-CZ2 4.08Å; V365-A444 HydrophobicContact CG1-CB 3.77Å; V365-L446 HydrophobicContact CB-CD2 4.42Å; V365-L446 HydrophobicContact CG2-CD2 3.75Å
366	N	90.7	Very high	75.5	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.032	23%	0.232	C	C	.	.			trans	-98.9	45.6	-177.4	-170.8	21.1	0	0	0	111.9	T364 H391 N392 E393 I395 I445 M447	T364-N366 PolarHBondContact O-N 3.29Å; N366-H391 WeakPolarHBondContact O-CA 3.27Å; N366-N392 WeakPolarHBondContact OD1-CB 3.42Å; N366-N392 PolarHBondContact OD1-N 3.11Å; N366-E393 PolarHBondContact ND2-O 3.46Å; N366-E393 PolarHBondContact OD1-N 2.89Å; N366-I395 VanDerWaalsContact ND2-CG2 3.33Å; N366-I395 WeakPolarHBondContact ND2-CG2 3.01Å; N366-I445 PolarHBondContact N-O 3.37Å; N366-M447 HydrophobicContact CB-CB 3.7Å; N366-M447 HydrophobicContact CB-CE 4.23Å; N366-M447 HydrophobicContact CB-SD 4.27Å; N366-M447 PolarHBondContact ND2-SD 3.02Å
367	S	93.8	Very high	77.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-162.3	171.9	171.5	70.8	0	0	0	0	109.9	S340 V365 R390 I445	S340-S367 PolarHBondContact OG-O 3.36Å; V365-S367 VanDerWaalsContact C-N 3.34Å; V365-S367 PolarHBondContact O-N 2.82Å; S367-R390 WeakPolarHBondContact CB-O 3.49Å; S367-I445 PolarHBondContact OG-N 3.4Å
368	Q	93.8	Very high	79.4	Confident	23 Å²	23	36.6 Å²	36.6	11%	0.107	23%	0.234	C	C	.	.			trans	-66.6	162.6	160.5	-64.3	74.5	24	0	0	110.4	D312 Y336 D337 N392	D312-Q368 PolarHBondContact OD2-OE1 3.07Å; Y336-Q368 WeakPolarHBondContact O-CB 3.22Å; D337-Q368 VanDerWaalsContact OD1-CG 3.25Å; D337-Q368 WeakPolarHBondContact OD1-CG 3.49Å; Q368-N392 PolarHBondContact NE2-OD1 2.63Å
369	V	95.1	Very high	81.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.8	175.1	-178.9	0	0	0	0	109	Y336 I339 L343 H442 F443 A444	Y336-V369 PolarHBondContact N-O 3Å; Y336-V369 PolarHBondContact O-N 3.18Å; Y336-V369 VanDerWaalsContact O-N 3.11Å; I339-V369 HydrophobicContact CD1-CB 3.84Å; I339-V369 HydrophobicContact CD1-CG1 4.06Å; I339-V369 HydrophobicContact CD1-CG2 4.03Å; I339-V369 HydrophobicContact CG1-CB 3.93Å; I339-V369 HydrophobicContact CG1-CG2 3.74Å; L343-V369 HydrophobicContact CD1-CG2 4.08Å; V369-H442 HydrophobicContact CG1-CB 3.98Å; V369-F443 WeakPolarHBondContact CA-O 3.4Å; V369-A444 HydrophobicContact CG2-CB 4.25Å
370	M	95	Very high	83	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.5	-177.8	-163.3	176.9	-165.4	0	0	110.3	M309 D312 I314 V334 L389 F443	M309-M370 HydrophobicContact CB-CE 4.04Å; M309-M370 HydrophobicContact CG-CE 4.22Å; M309-M370 HydrophobicContact SD-CE 3.78Å; D312-M370 HydrophobicContact CB-SD 4.23Å; I314-M370 HydrophobicContact CB-CE 3.84Å; I314-M370 HydrophobicContact CB-SD 3.87Å; I314-M370 HydrophobicContact CG2-CE 3.36Å; I314-M370 HydrophobicContact CG2-SD 4.07Å; V334-M370 CarbonylContact O-C 3.55Å; V334-M370 WeakPolarHBondContact O-CA 3.46Å; M370-L389 HydrophobicContact CB-CD2 3.87Å; M370-L389 HydrophobicContact SD-CD2 4.09Å; M370-F443 PolarHBondContact N-O 2.96Å; M370-F443 WeakPolarHBondContact O-CB 3.33Å; M370-F443 WeakPolarHBondContact O-CD2 3.24Å; M370-F443 PolarHBondContact O-N 3.46Å
371	A	94.9	Very high	84.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.9	-177.7	0	0	0	0	0	111.5	F333 V334 T441 H442	F333-A371 WeakPolarHBondContact CA-O 3.36Å; V334-A371 HydrophobicContact CB-CB 4.4Å; V334-A371 PolarHBondContact N-O 2.75Å; V334-A371 PolarHBondContact O-N 3.27Å; A371-T441 WeakPolarHBondContact CA-O 3.14Å; A371-H442 HydrophobicContact CB-CB 4.34Å; A371-H442 VanDerWaalsContact CB-CD2 3.41Å; A371-H442 WeakPolarHBondContact CB-CD2 3.44Å
372	A	94.2	Very high	86.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.5	168.7	0	0	0	0	0	108.8	I314 L316 V332 F333 L440 T441	I314-A372 HydrophobicContact CD1-CB 3.72Å; L316-A372 HydrophobicContact CD2-CB 4.21Å; V332-A372 VanDerWaalsContact O-CA 3.31Å; V332-A372 WeakPolarHBondContact O-CA 3.35Å; F333-A372 HydrophobicContact CD1-CB 3.69Å; F333-A372 HydrophobicContact CE1-CB 3.78Å; A372-L440 HydrophobicContact CB-CD2 4.18Å; A372-L440 WeakPolarHBondContact O-CB 3.33Å; A372-T441 PolarHBondContact N-O 2.77Å
373	A	92.9	Very high	87.6	Confident	12 Å²	12	31.8 Å²	31.8	10%	0.099	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.7	175.6	0	0	0	0	0	110.7	E266 L270 V331 V332	E266-A373 HydrophobicContact CB-CB 4.45Å; E266-A373 HydrophobicContact CG-CB 4.39Å; L270-A373 HydrophobicContact CD1-CB 3.75Å; V331-A373 WeakPolarHBondContact CA-O 3.31Å; V332-A373 HydrophobicContact CG1-CB 3.92Å; V332-A373 PolarHBondContact N-O 3.41Å; V332-A373 PolarHBondContact O-N 2.63Å
374	V	90.8	Very high	88.3	Confident	21 Å²	21	33.6 Å²	33.6	13%	0.127	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.9	-173.6	-179	0	0	0	0	110.7	L316 V329 S330 V331 Y380 L440	L316-V374 HydrophobicContact CD1-CG2 4.19Å; V329-V374 HydrophobicContact CG1-CG1 3.75Å; S330-V374 WeakPolarHBondContact O-CA 3.35Å; V331-V374 HydrophobicContact CB-CG2 4.34Å; V331-V374 HydrophobicContact CG1-CG2 3.95Å; V331-V374 HydrophobicContact CG2-CG1 4.22Å; V331-V374 HydrophobicContact CG2-CG2 3.94Å; V374-Y380 HydrophobicContact CB-CD1 4.43Å; V374-Y380 HydrophobicContact CG1-CD1 3.88Å; V374-Y380 HydrophobicContact CG1-CG 3.8Å; V374-Y380 HydrophobicContact CG2-CD1 4.11Å; V374-Y380 HydrophobicContact CG2-CE1 4.38Å; V374-L440 HydrophobicContact CB-CD1 4.07Å; V374-L440 HydrophobicContact CG2-CD1 3.48Å; V374-L440 VanDerWaalsContact CG2-CD1 3.48Å
375	K	87.3	Confident	88.8	Confident	79 Å²	79	31.5 Å²	31.5	34%	0.343	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	132.6	175.7	-166.2	172.9	-176.8	175.2	0	110.8	L270 S271 S330	L270-K375 HydrophobicContact CB-CB 4.08Å; L270-K375 HydrophobicContact CB-CD 4.05Å; L270-K375 HydrophobicContact CD1-CB 4.1Å; L270-K375 HydrophobicContact CD2-CB 4.13Å; L270-K375 HydrophobicContact CG-CB 4.34Å; S271-K375 PolarHBondContact OG-NZ 2.89Å; S330-K375 PolarHBondContact N-O 3.42Å; S330-K375 PolarHBondContact O-N 3.21Å
376	P	85.1	Confident	89.1	Confident	48 Å²	48	32.6 Å²	32.6	31%	0.312	18%	0.181	S	C	.	.	S	Bend	cis	-83.8	139.3	-6.4	35.5	-34.5	0	0	0	112.3	S328 D378 V379 Y380	S328-P376 WeakPolarHBondContact O-CD 3.11Å; P376-D378 VanDerWaalsContact C-N 3.32Å; P376-D378 WeakPolarHBondContact CB-OD1 3.02Å; P376-D378 PolarHBondContact O-N 2.82Å; P376-V379 HydrophobicContact CG-CB 4.17Å; P376-V379 HydrophobicContact CG-CG2 3.79Å; P376-V379 PolarHBondContact O-N 3.23Å; P376-Y380 PolarHBondContact O-N 2.81Å
377	A	81.3	Confident	89.3	Confident	72 Å²	72	32.5 Å²	32.5	60%	0.595	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-21.1	-171.6	0	0	0	0	0	114.5	V379 Y380	A377-V379 VanDerWaalsContact C-N 3.3Å; A377-Y380 CarbonylContact O-C 3.52Å
378	D	78.7	Confident	89.5	Confident	94 Å²	94	33.9 Å²	33.9	50%	0.503	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-21.9	178.2	70.3	-55.9	0	0	0	113.1	K325 P376	K325-D378 IonicContact NZ-OD2 3.04Å; P376-D378 VanDerWaalsContact C-N 3.32Å; P376-D378 WeakPolarHBondContact CB-OD1 3.02Å; P376-D378 PolarHBondContact O-N 2.82Å
379	V	78.6	Confident	89.6	Confident	21 Å²	21	32.8 Å²	32.8	13%	0.127	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-39.6	176	-179.3	0	0	0	0	110.5	A298 V329 P376 A377	A298-V379 HydrophobicContact CB-CG1 3.39Å; V329-V379 HydrophobicContact CG2-CB 4.13Å; V329-V379 HydrophobicContact CG2-CG1 3.62Å; P376-V379 HydrophobicContact CG-CB 4.17Å; P376-V379 HydrophobicContact CG-CG2 3.79Å; P376-V379 PolarHBondContact O-N 3.23Å; A377-V379 VanDerWaalsContact C-N 3.3Å
380	Y	79.7	Confident	89.5	Confident	9 Å²	9	38.3 Å²	38.3	4%	0.035	21%	0.205	C	C	.	.	S	Bend	trans	-99.9	89.9	178.4	-166.7	-90.2	0	0	0	111.8	F296 Q318 V329 V374 P376 A377 L382	F296-Y380 HydrophobicContact CE2-CD2 4.34Å; F296-Y380 HydrophobicContact CE2-CE2 4.43Å; F296-Y380 HydrophobicContact CZ-CD2 4.2Å; F296-Y380 HydrophobicContact CZ-CE2 4.06Å; Q318-Y380 HydrophobicContact CB-CE2 4.39Å; Q318-Y380 HydrophobicContact CG-CE2 4.3Å; V329-Y380 HydrophobicContact CG1-CD2 4.1Å; V329-Y380 HydrophobicContact CG1-CG 4.26Å; V374-Y380 HydrophobicContact CB-CD1 4.43Å; V374-Y380 HydrophobicContact CG1-CD1 3.88Å; V374-Y380 HydrophobicContact CG1-CG 3.8Å; V374-Y380 HydrophobicContact CG2-CD1 4.11Å; V374-Y380 HydrophobicContact CG2-CE1 4.38Å; P376-Y380 PolarHBondContact O-N 2.81Å; A377-Y380 CarbonylContact O-C 3.52Å; Y380-L382 HydrophobicContact CE1-CD1 4.37Å; Y380-L382 PolarHBondContact O-N 2.71Å; Y380-L382 VanDerWaalsContact O-N 3.13Å
381	Q	82.9	Confident	89.4	Confident	97 Å²	97	39.2 Å²	39.2	45%	0.453	21%	0.209	S	C	.	.			trans	-76.9	98.9	177.5	-65.5	-174.2	6.1	0	0	111.7	Q318 K319	Q318-Q381 WeakPolarHBondContact CG-O 3.19Å; K319-Q381 HydrophobicContact CB-CB 4.46Å; K319-Q381 PolarHBondContact N-O 3.39Å
382	L	86.3	Confident	89.2	Confident	32 Å²	32	42.9 Å²	42.9	17%	0.168	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	134.2	172.3	-170.9	79.5	0	0	0	110.7	L316 K319 Y380 L440	L316-L382 HydrophobicContact CB-CD1 4.45Å; L316-L382 HydrophobicContact CD2-CD1 4.21Å; K319-L382 WeakPolarHBondContact CE-O 3.33Å; Y380-L382 HydrophobicContact CE1-CD1 4.37Å; Y380-L382 PolarHBondContact O-N 2.71Å; Y380-L382 VanDerWaalsContact O-N 3.13Å; L382-L440 HydrophobicContact CD1-CD1 4.43Å; L382-L440 HydrophobicContact CD1-CD2 4.06Å; L382-L440 HydrophobicContact CD1-CG 4.37Å; L382-L440 HydrophobicContact CD2-CD1 4.46Å; L382-L440 HydrophobicContact CD2-CD2 3.92Å; L382-L440 HydrophobicContact CD2-CG 3.76Å
383	D	88.2	Confident	88.9	Confident	76 Å²	76	49 Å²	49	41%	0.406	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-61	164.9	-171.8	46.2	0	0	0	110.6	N317 K319	N317-D383 WeakPolarHBondContact O-CB 3.47Å; N317-D383 PolarHBondContact O-N 2.87Å; K319-D383 WeakPolarHBondContact CE-OD1 3.35Å; K319-D383 HydrophobicContact CG-CB 3.6Å
384	H	91.7	Very high	88.7	Confident	59 Å²	59	52.9 Å²	52.9	27%	0.273	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	159.7	174.4	61.8	-77.3	0	0	0	109.9	N317 C437	N317-H384 WeakPolarHBondContact CB-O 3.37Å; N317-H384 PolarHBondContact N-O 2.65Å; N317-H384 VanDerWaalsContact N-O 3.07Å; N317-H384 PolarHBondContact ND2-CD2 3.48Å; N317-H384 PolarHBondContact ND2-CE1 3.12Å; N317-H384 PolarHBondContact ND2-NE2 3.25Å; H384-C437 CarbonylContact C-O 3.47Å; H384-C437 WeakPolarHBondContact CA-O 3.5Å; H384-C437 WeakPolarHBondContact CB-O 3.33Å
385	V	94.8	Very high	88.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136	170.4	57.4	0	0	0	0	108.9	I314 T315 L316 F387 S436 C437 H439 L440 F443	I314-V385 HydrophobicContact CD1-CG2 3.97Å; I314-V385 HydrophobicContact CG1-CG2 3.71Å; T315-V385 WeakPolarHBondContact O-CA 3.5Å; L316-V385 HydrophobicContact CD2-CB 4.03Å; L316-V385 HydrophobicContact CD2-CG2 3.7Å; V385-F387 HydrophobicContact CG2-CD1 4.48Å; V385-S436 CarbonylContact O-C 3.27Å; V385-S436 VanDerWaalsContact O-CA 3.26Å; V385-S436 WeakPolarHBondContact O-CA 3.3Å; V385-C437 HydrophobicContact CG1-CB 3.9Å; V385-C437 WeakPolarHBondContact CG1-O 3.25Å; V385-C437 PolarHBondContact N-O 3.22Å; V385-C437 PolarHBondContact O-N 3.11Å; V385-H439 VanDerWaalsContact CG1-O 3.32Å; V385-H439 WeakPolarHBondContact CG1-O 3.49Å; V385-L440 HydrophobicContact CB-CD2 4.14Å; V385-L440 HydrophobicContact CG1-CD2 4.3Å; V385-F443 HydrophobicContact CG1-CE1 4.41Å; V385-F443 HydrophobicContact CG1-CE2 4.14Å; V385-F443 HydrophobicContact CG1-CZ 3.7Å
386	T	95.4	Very high	88.2	Confident	35 Å²	35	51.6 Å²	51.6	22%	0.215	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.2	171.3	52.1	0	0	0	0	109.4	I314 T315 L426 C435	I314-T386 CarbonylContact C-O 3.59Å; T315-T386 PolarHBondContact N-O 2.98Å; T315-T386 PolarHBondContact O-N 3.25Å; T386-L426 HydrophobicContact CG2-CD1 4.32Å; T386-C435 VanDerWaalsContact CA-O 3.3Å; T386-C435 WeakPolarHBondContact CA-O 3.26Å
387	F	95.9	Very high	88	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.013	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.2	178.9	58.7	-95.2	0	0	0	112	R313 I314 V385 L389 D434 C435 C437 F443 I445	R313-F387 CarbonylContact O-C 3.56Å; R313-F387 WeakPolarHBondContact O-CA 3.31Å; I314-F387 HydrophobicContact CB-CB 4.34Å; I314-F387 HydrophobicContact CG1-CB 4.18Å; V385-F387 HydrophobicContact CG2-CD1 4.48Å; F387-L389 HydrophobicContact CD2-CD1 3.99Å; F387-L389 HydrophobicContact CD2-CG 3.86Å; F387-L389 HydrophobicContact CE2-CD1 3.98Å; F387-L389 HydrophobicContact CE2-CG 4.32Å; F387-D434 WeakPolarHBondContact O-CA 3.41Å; F387-C435 HydrophobicContact CD1-CB 4.24Å; F387-C435 HydrophobicContact CD2-CB 3.75Å; F387-C435 HydrophobicContact CE1-CB 3.77Å; F387-C435 HydrophobicContact CE2-CB 3.27Å; F387-C435 VanDerWaalsContact CE2-SG 3.52Å; F387-C435 HydrophobicContact CG-CB 4.24Å; F387-C435 HydrophobicContact CZ-CB 3.27Å; F387-C435 PolarHBondContact N-O 2.94Å; F387-C435 PolarHBondContact O-N 3.4Å; F387-C437 VanDerWaalsContact CE1-SG 3.56Å; F387-F443 HydrophobicContact CD1-CB 4.35Å; F387-F443 HydrophobicContact CD1-CD1 4.29Å; F387-F443 HydrophobicContact CD1-CD2 4.12Å; F387-F443 AromaticContact CD1-CG 3.98Å; F387-F443 HydrophobicContact CD1-CG 3.98Å; F387-F443 HydrophobicContact CD2-CB 4.41Å; F387-F443 HydrophobicContact CE1-CB 3.84Å; F387-F443 AromaticContact CE1-CD1 3.39Å; F387-F443 HydrophobicContact CE1-CD1 3.39Å; F387-F443 HydrophobicContact CE1-CD2 4.02Å; F387-F443 AromaticContact CE1-CE1 3.92Å; F387-F443 HydrophobicContact CE1-CE1 3.92Å; F387-F443 HydrophobicContact CE1-CE2 4.47Å; F387-F443 AromaticContact CE1-CG 3.46Å; F387-F443 HydrophobicContact CE1-CG 3.46Å; F387-F443 VanDerWaalsContact CE1-CG 3.46Å; F387-F443 HydrophobicContact CE1-CZ 4.43Å; F387-F443 HydrophobicContact CE2-CB 3.87Å; F387-F443 HydrophobicContact CE2-CG 4.41Å; F387-F443 HydrophobicContact CZ-CB 3.56Å; F387-F443 AromaticContact CZ-CD1 3.66Å; F387-F443 HydrophobicContact CZ-CD1 3.66Å; F387-F443 AromaticContact CZ-CG 3.69Å; F387-F443 HydrophobicContact CZ-CG 3.69Å; F387-I445 HydrophobicContact CE2-CD1 4.32Å
388	T	96.3	Very high	87.6	Confident	30 Å²	30	58.9 Å²	58.9	18%	0.184	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.1	175.7	-56.6	0	0	0	0	107.2	R313 A432 D434	R313-T388 PolarHBondContact N-O 3.4Å; R313-T388 PolarHBondContact O-N 3.38Å; T388-A432 HydrophobicContact CG2-CB 4.21Å; T388-D434 WeakPolarHBondContact CB-OD1 3.34Å; T388-D434 WeakPolarHBondContact CG2-OD1 3.4Å; T388-D434 PolarHBondContact OG1-OD1 3.28Å
389	L	95.9	Very high	87.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.4	176.4	-61.3	178	0	0	0	109.7	D312 M370 F387 A432 T433 I445	D312-L389 HydrophobicContact CB-CD2 3.93Å; M370-L389 HydrophobicContact CB-CD2 3.87Å; M370-L389 HydrophobicContact SD-CD2 4.09Å; F387-L389 HydrophobicContact CD2-CD1 3.99Å; F387-L389 HydrophobicContact CD2-CG 3.86Å; F387-L389 HydrophobicContact CE2-CD1 3.98Å; F387-L389 HydrophobicContact CE2-CG 4.32Å; L389-A432 VanDerWaalsContact O-CA 3.26Å; L389-A432 WeakPolarHBondContact O-CA 3.32Å; L389-A432 WeakPolarHBondContact O-CB 3.29Å; L389-T433 PolarHBondContact N-O 2.96Å; L389-T433 VanDerWaalsContact N-O 3.13Å; L389-T433 PolarHBondContact O-N 2.99Å; L389-I445 HydrophobicContact CB-CD1 4.36Å; L389-I445 HydrophobicContact CB-CG1 3.86Å; L389-I445 HydrophobicContact CD1-CD1 4.25Å; L389-I445 HydrophobicContact CD1-CG1 4.08Å
390	R	94.5	Very high	87.2	Confident	116 Å²	116	57.4 Å²	57.4	44%	0.438	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	148.6	173.6	-63.4	-175.2	-61.3	149.2	5.4	110.4	G310 D312 S367 N431	G310-R390 PolarHBondContact O-NH2 3.25Å; D312-R390 WeakPolarHBondContact OD1-CG 3.35Å; D312-R390 PolarHBondContact OD1-N 3.31Å; D312-R390 IonicContact OD1-NE 2.77Å; S367-R390 WeakPolarHBondContact CB-O 3.49Å; R390-N431 CarbonylContact C-O 3.56Å; R390-N431 WeakPolarHBondContact CA-O 3.04Å
391	H	92.9	Very high	87.3	Confident	19 Å²	19	60.9 Å²	60.9	9%	0.088	31%	0.313	C	S	.	.			trans	-81.2	138.4	174.2	-57.3	150.5	0	0	0	110.3	N366 E393 I395 S429 S430 N431 A432 T433	N366-H391 WeakPolarHBondContact O-CA 3.27Å; H391-E393 VanDerWaalsContact C-N 3.29Å; H391-E393 VanDerWaalsContact CB-O 3.23Å; H391-E393 WeakPolarHBondContact CB-O 3.48Å; H391-I395 WeakPolarHBondContact CE1-CD1 3.32Å; H391-S429 PolarHBondContact CE1-O 3.44Å; H391-S429 VanDerWaalsContact CE1-O 3.22Å; H391-S430 PolarHBondContact ND1-O 3.4Å; H391-N431 PolarHBondContact N-O 2.94Å; H391-A432 VanDerWaalsContact CE1-C 3.49Å; H391-A432 PolarHBondContact ND1-N 2.74Å; H391-T433 PolarHBondContact CE1-OG1 3.26Å; H391-T433 VanDerWaalsContact CE1-OG1 3.29Å; H391-T433 PolarHBondContact NE2-N 2.74Å; H391-T433 PolarHBondContact NE2-OG1 3.05Å
392	N	89.6	Confident	87.5	Confident	77 Å²	77	57.2 Å²	57.2	41%	0.412	30%	0.297	S	S	.	.	S	Bend	trans	-66.2	-39.3	172.1	-65.8	-16.3	0	0	0	109.9	N366 Q368	N366-N392 WeakPolarHBondContact OD1-CB 3.42Å; N366-N392 PolarHBondContact OD1-N 3.11Å; Q368-N392 PolarHBondContact NE2-OD1 2.63Å
393	E	87.9	Confident	87.6	Confident	128 Å²	128	57.8 Å²	57.8	60%	0.598	30%	0.299	S	S	*	.	S	Bend	trans	-123	138.8	173.7	-63.4	-172.5	170.7	0	0	111.9	N366 H391 I395	N366-E393 PolarHBondContact ND2-O 3.46Å; N366-E393 PolarHBondContact OD1-N 2.89Å; H391-E393 VanDerWaalsContact C-N 3.29Å; H391-E393 VanDerWaalsContact CB-O 3.23Å; H391-E393 WeakPolarHBondContact CB-O 3.48Å; E393-I395 PolarHBondContact O-N 3.31Å
394	P	87.8	Confident	87.8	Confident	95 Å²	95	54.4 Å²	54.4	62%	0.617	28%	0.281	S	S	*	.			trans	-66.4	133.4	-179.4	28	-34.3	0	0	0	111.7	S430	P394-S430 WeakPolarHBondContact CA-O 3.42Å
395	I	85.3	Confident	87.9	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.051	27%	0.268	C	S	.	.			trans	-102.3	155.6	-174.3	70.2	170.7	0	0	0	112.6	N366 H391 E393 D400 T402 V428 S430 M447	N366-I395 VanDerWaalsContact ND2-CG2 3.33Å; N366-I395 WeakPolarHBondContact ND2-CG2 3.01Å; H391-I395 WeakPolarHBondContact CE1-CD1 3.32Å; E393-I395 PolarHBondContact O-N 3.31Å; I395-D400 HydrophobicContact CB-CB 4.35Å; I395-T402 HydrophobicContact CD1-CG2 3.29Å; I395-V428 HydrophobicContact CD1-CG1 3.64Å; I395-S430 PolarHBondContact N-O 2.98Å; I395-M447 HydrophobicContact CG2-SD 3.48Å; I395-M447 WeakPolarHBondContact CG2-SD 3.24Å
396	N	83.5	Confident	87.9	Confident	62 Å²	62	52 Å²	52	33%	0.332	27%	0.27	S	S	.	.			trans	-98.7	107.2	166.9	-177.7	-17	0	0	0	109.8	K398 V399 D400	N396-K398 PolarHBondContact O-N 3.49Å; N396-K398 WeakPolarHBondContact OD1-CB 3.44Å; N396-K398 PolarHBondContact OD1-N 3.42Å; N396-V399 PolarHBondContact O-N 3.46Å; N396-D400 WeakPolarHBondContact CB-OD2 3.39Å; N396-D400 PolarHBondContact N-OD2 3.39Å; N396-D400 PolarHBondContact O-N 3.35Å
397	T	80.7	Confident	87.8	Confident	82 Å²	82	50.5 Å²	50.5	50%	0.503	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-13	-176.2	57	0	0	0	0	115.1	V428	T397-V428 HydrophobicContact CG2-CG1 4.15Å
398	K	73.9	Confident	87.6	Confident	192 Å²	192	53.9 Å²	53.9	84%	0.835	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-23.8	176.5	-62.3	-176.6	179.6	-179.2	0	113.8	N396	N396-K398 PolarHBondContact O-N 3.49Å; N396-K398 WeakPolarHBondContact OD1-CB 3.44Å; N396-K398 PolarHBondContact OD1-N 3.42Å
399	V	69.6	Low	87.4	Confident	71 Å²	71	54.8 Å²	54.8	43%	0.43	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-39	-168.2	180	0	0	0	0	111.8	N396	N396-V399 PolarHBondContact O-N 3.46Å
400	D	78.2	Confident	87.1	Confident	12 Å²	12	61.1 Å²	61.1	6%	0.064	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-88.1	135.8	-177.8	-57.2	-48.7	0	0	0	109.2	I395 N396 S449 G450 R451	I395-D400 HydrophobicContact CB-CB 4.35Å; N396-D400 WeakPolarHBondContact CB-OD2 3.39Å; N396-D400 PolarHBondContact N-OD2 3.39Å; N396-D400 PolarHBondContact O-N 3.35Å; D400-S449 VanDerWaalsContact OD1-CA 3.28Å; D400-S449 WeakPolarHBondContact OD1-CA 3.46Å; D400-S449 WeakPolarHBondContact OD1-CB 3.3Å; D400-S449 PolarHBondContact OD1-OG 3.39Å; D400-G450 PolarHBondContact OD1-N 3.29Å; D400-R451 IonicContact OD2-NE 3.08Å; D400-R451 IonicContact OD2-NH2 3.92Å; D400-R451 PolarHBondContact OD2-NH2 3.21Å
401	V	81.3	Confident	86.7	Confident	82 Å²	82	60.2 Å²	60.2	50%	0.497	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.9	179.5	-179.9	0	0	0	0	108.9	M447 S448	V401-M447 WeakPolarHBondContact O-CA 3.33Å; V401-S448 PolarHBondContact N-O 3.15Å; V401-S448 PolarHBondContact O-N 3.4Å
402	T	87.9	Confident	86.3	Confident	20 Å²	20	62.9 Å²	62.9	12%	0.123	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.9	175.4	51.4	0	0	0	0	111.6	I395 V428 I445 L446	I395-T402 HydrophobicContact CD1-CG2 3.29Å; T402-V428 HydrophobicContact CG2-CG1 4.26Å; T402-V428 WeakPolarHBondContact OG1-CG2 3.5Å; T402-I445 HydrophobicContact CG2-CG2 4.33Å; T402-L446 CarbonylContact C-O 3.54Å; T402-L446 WeakPolarHBondContact CA-O 3.42Å
403	K	88.4	Confident	86.2	Confident	45 Å²	45	61.5 Å²	61.5	20%	0.196	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.6	176.2	-60.5	-178.7	-177.1	-179.1	0	110.2	D348 A405 T420 L446	D348-K403 IonicContact OD1-NZ 2.99Å; D348-K403 PolarHBondContact OD1-NZ 3.44Å; D348-K403 IonicContact OD2-NZ 3.42Å; D348-K403 PolarHBondContact OD2-NZ 2.94Å; K403-A405 PolarHBondContact O-N 3.45Å; K403-T420 HydrophobicContact CB-CG2 4.27Å; K403-L446 HydrophobicContact CB-CB 4.4Å; K403-L446 PolarHBondContact N-O 2.99Å; K403-L446 PolarHBondContact O-N 2.92Å
404	C	93.1	Very high	86.3	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.027	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	115.7	167.9	-61.3	0	0	0	0	108.5	C423 T425 C435	C404-C423 HydrophobicContact CB-CB 4.24Å; C404-T425 VanDerWaalsContact SG-CA 3.54Å; C404-T425 PolarHBondContact SG-OG1 2.97Å; C404-C435 HydrophobicContact CB-CB 3.66Å; C404-C435 WeakPolarHBondContact CB-SG 3.45Å; C404-C435 WeakPolarHBondContact SG-CB 3.33Å; C404-C435 CovalentContact SG-SG 2.02Å; C404-C435 PolarHBondContact SG-SG 2.92Å
405	A	93.1	Very high	86.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164	-177	0	0	0	0	0	111.6	K403 W418 S419 T420 F443 A444 L446	K403-A405 PolarHBondContact O-N 3.45Å; A405-W418 HydrophobicContact CB-CE3 3.9Å; A405-S419 CarbonylContact C-O 3.48Å; A405-S419 VanDerWaalsContact CA-O 3.31Å; A405-S419 WeakPolarHBondContact CA-O 3.44Å; A405-T420 HydrophobicContact CB-CG2 4.14Å; A405-F443 WeakPolarHBondContact O-CA 3.47Å; A405-A444 PolarHBondContact N-O 2.86Å; A405-A444 PolarHBondContact O-N 3.37Å; A405-A444 VanDerWaalsContact O-O 3.1Å; A405-L446 HydrophobicContact CB-CD1 3.5Å; A405-L446 VanDerWaalsContact CB-CD1 3.5Å; A405-L446 HydrophobicContact CB-CG 3.65Å
406	F	93.9	Very high	86.4	Confident	10 Å²	10	56.4 Å²	56.4	4%	0.044	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.9	173.5	70.8	-81.5	0	0	0	111.2	E408 W418 S419 K421 H439 T441 H442 F443	F406-E408 HydrophobicContact CD2-CB 4.17Å; F406-E408 HydrophobicContact CE2-CB 3.59Å; F406-E408 HydrophobicContact CE2-CG 4.01Å; F406-E408 HydrophobicContact CZ-CB 4.22Å; F406-E408 PolarHBondContact O-N 2.83Å; F406-W418 WeakPolarHBondContact O-CA 3.2Å; F406-S419 WeakPolarHBondContact CD1-O 3.26Å; F406-S419 WeakPolarHBondContact CE1-O 3.44Å; F406-S419 PolarHBondContact N-O 2.6Å; F406-S419 PolarHBondContact O-N 3.47Å; F406-K421 WeakPolarHBondContact CE1-O 3.37Å; F406-H439 AromaticContact CD1-CE1 3.33Å; F406-H439 WeakPolarHBondContact CD1-CE1 3.47Å; F406-H439 AromaticContact CD1-NE2 3.48Å; F406-H439 WeakPolarHBondContact CD1-NE2 3.21Å; F406-H439 AromaticContact CD2-CE1 3.31Å; F406-H439 WeakPolarHBondContact CD2-CE1 3.33Å; F406-H439 AromaticContact CD2-ND1 3.93Å; F406-H439 AromaticContact CE1-CE1 3.58Å; F406-H439 AromaticContact CE1-NE2 3.31Å; F406-H439 VanDerWaalsContact CE1-NE2 3.31Å; F406-H439 WeakPolarHBondContact CE1-NE2 3.48Å; F406-H439 AromaticContact CE2-CE1 3.54Å; F406-H439 AromaticContact CE2-NE2 3.82Å; F406-H439 AromaticContact CG-CE1 3.19Å; F406-H439 WeakPolarHBondContact CG-CE1 3.31Å; F406-H439 AromaticContact CG-NE2 3.83Å; F406-H439 AromaticContact CZ-CE1 3.67Å; F406-H439 AromaticContact CZ-NE2 3.48Å; F406-H439 WeakPolarHBondContact CZ-NE2 3.44Å; F406-T441 WeakPolarHBondContact CB-OG1 3.28Å; F406-T441 HydrophobicContact CD2-CG2 3.95Å; F406-T441 WeakPolarHBondContact CD2-OG1 3.38Å; F406-T441 HydrophobicContact CE2-CG2 4.43Å; F406-H442 CarbonylContact C-O 3.57Å; F406-H442 WeakPolarHBondContact CA-O 3.48Å; F406-H442 WeakPolarHBondContact CB-O 3.41Å; F406-F443 HydrophobicContact CB-CD1 3.78Å; F406-F443 HydrophobicContact CB-CE1 4.02Å
407	W	93.6	Very high	86.7	Confident	2 Å²	2	58 Å²	58	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	106.2	175.8	-163.7	-108.4	0	0	0	109.5	E255 T259 L343 Y409 G416 W418 H442	E255-W407 HydrophobicContact CB-CZ2 4.48Å; E255-W407 HydrophobicContact CG-CH2 4.23Å; T259-W407 PolarHBondContact OG1-NE1 2.94Å; L343-W407 HydrophobicContact CB-CZ3 4.47Å; L343-W407 HydrophobicContact CD2-CD2 3.95Å; L343-W407 HydrophobicContact CD2-CE3 3.91Å; L343-W407 HydrophobicContact CD2-CH2 3.63Å; L343-W407 HydrophobicContact CD2-CZ2 3.66Å; L343-W407 HydrophobicContact CD2-CZ3 3.75Å; W407-Y409 AromaticContact CD1-CD1 3.82Å; W407-G416 VanDerWaalsContact CZ2-C 3.41Å; W407-G416 WeakPolarHBondContact CZ2-O 3.04Å; W407-W418 HydrophobicContact CB-CZ3 4.25Å; W407-W418 AromaticContact CE3-CD1 3.9Å; W407-W418 AromaticContact CE3-CD2 3.67Å; W407-W418 HydrophobicContact CE3-CD2 3.67Å; W407-W418 AromaticContact CE3-CE2 3.52Å; W407-W418 HydrophobicContact CE3-CE3 4.2Å; W407-W418 AromaticContact CE3-CG 3.92Å; W407-W418 HydrophobicContact CE3-CG 3.92Å; W407-W418 HydrophobicContact CE3-CH2 4.4Å; W407-W418 AromaticContact CE3-CZ2 3.94Å; W407-W418 HydrophobicContact CE3-CZ2 3.94Å; W407-W418 AromaticContact CE3-NE1 3.7Å; W407-W418 AromaticContact CZ3-CD1 3.54Å; W407-W418 HydrophobicContact CZ3-CD2 4.13Å; W407-W418 AromaticContact CZ3-CE2 3.79Å; W407-W418 AromaticContact CZ3-CG 3.99Å; W407-W418 HydrophobicContact CZ3-CG 3.99Å; W407-W418 HydrophobicContact CZ3-CZ2 4.43Å; W407-W418 AromaticContact CZ3-NE1 3.44Å; W407-H442 HydrophobicContact CB-CB 3.94Å; W407-H442 PolarHBondContact N-O 3.46Å
408	E	91.8	Very high	87.2	Confident	75 Å²	75	54.7 Å²	54.7	35%	0.35	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.9	178	-172.7	171.1	-180	0	0	109.3	F406 G416 H417 S419	F406-E408 HydrophobicContact CD2-CB 4.17Å; F406-E408 HydrophobicContact CE2-CB 3.59Å; F406-E408 HydrophobicContact CE2-CG 4.01Å; F406-E408 HydrophobicContact CZ-CB 4.22Å; F406-E408 PolarHBondContact O-N 2.83Å; E408-G416 CarbonylContact O-C 3.58Å; E408-G416 VanDerWaalsContact O-CA 3.29Å; E408-G416 WeakPolarHBondContact O-CA 3.41Å; E408-H417 PolarHBondContact N-O 3.1Å; E408-H417 PolarHBondContact O-N 3.08Å; E408-H417 PolarHBondContact O-ND1 3.48Å; E408-H417 IonicContact OE2-NE2 3.25Å; E408-S419 WeakPolarHBondContact OE2-CB 3.36Å; E408-S419 PolarHBondContact OE2-OG 3.44Å
409	Y	92.3	Very high	87.9	Confident	48 Å²	48	45.9 Å²	45.9	19%	0.188	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.9	178	68.4	-84	0	0	0	111.9	T259 H263 W407 L414 Q415	T259-Y409 HydrophobicContact CG2-CD1 4.08Å; T259-Y409 HydrophobicContact CG2-CD2 3.59Å; T259-Y409 HydrophobicContact CG2-CE2 4.26Å; T259-Y409 HydrophobicContact CG2-CG 3.48Å; T259-Y409 VanDerWaalsContact CG2-CG 3.48Å; H263-Y409 HydrophobicContact CB-CE2 4.16Å; W407-Y409 AromaticContact CD1-CD1 3.82Å; Y409-L414 HydrophobicContact CD2-CD2 4.41Å; Y409-L414 HydrophobicContact CE2-CD2 4.43Å; Y409-Q415 WeakPolarHBondContact CA-O 3.42Å; Y409-Q415 WeakPolarHBondContact CB-O 3.5Å
410	E	89.9	Confident	88.9	Confident	134 Å²	134	44.2 Å²	44.2	63%	0.626	25%	0.247	S	C	*	.			trans	-98	132	174.3	-178.3	179.9	-155.8	0	0	110.3	G412 S413 L414	E410-G412 PolarHBondContact O-N 3.02Å; E410-S413 PolarHBondContact O-N 3.46Å; E410-S413 PolarHBondContact OE2-OG 2.9Å; E410-L414 WeakPolarHBondContact O-CA 3.22Å; E410-L414 PolarHBondContact O-N 3.35Å
411	V	85.6	Confident	89.5	Confident	96 Å²	96	51.4 Å²	51.4	58%	0.582	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31	-175.2	-179.7	0	0	0	0	112.7
412	G	85.1	Confident	89.8	Confident	76 Å²	76	49.3 Å²	49.3	78%	0.784	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-40.6	-179	0	0	0	0	0	114.2	E410	E410-G412 PolarHBondContact O-N 3.02Å
413	S	87.5	Confident	90	Very high	47 Å²	47	49.1 Å²	49.1	33%	0.329	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-23	-177.7	59.9	0	0	0	0	113.1	H256 E410 Q415	H256-S413 PolarHBondContact CE1-O 2.64Å; H256-S413 VanDerWaalsContact CE1-O 3.23Å; H256-S413 PolarHBondContact ND1-O 2.96Å; H256-S413 VanDerWaalsContact ND1-O 3.12Å; E410-S413 PolarHBondContact O-N 3.46Å; E410-S413 PolarHBondContact OE2-OG 2.9Å; S413-Q415 PolarHBondContact O-N 3.39Å; S413-Q415 VanDerWaalsContact O-N 3.11Å
414	L	90	Very high	90.2	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.105	30%	0.295	C	S	.	.			trans	52	26.6	-172	-59.4	170.5	0	0	0	112.6	T259 K260 H263 Y409 E410	T259-L414 VanDerWaalsContact CB-O 3.26Å; T259-L414 WeakPolarHBondContact CB-O 3.01Å; T259-L414 HydrophobicContact CG2-CB 4.34Å; T259-L414 WeakPolarHBondContact CG2-O 3.45Å; K260-L414 HydrophobicContact CB-CD1 3.91Å; K260-L414 HydrophobicContact CD-CD1 3.85Å; K260-L414 HydrophobicContact CG-CD1 3.78Å; H263-L414 HydrophobicContact CB-CD2 4.27Å; Y409-L414 HydrophobicContact CD2-CD2 4.41Å; Y409-L414 HydrophobicContact CE2-CD2 4.43Å; E410-L414 WeakPolarHBondContact O-CA 3.22Å; E410-L414 PolarHBondContact O-N 3.35Å
415	Q	87.3	Confident	90.2	Very high	104 Å²	104	57.2 Å²	57.2	49%	0.486	31%	0.312	S	S	.	.			trans	-89.9	117.6	173.4	-167.9	161.9	11.3	0	0	108.3	Y409 S413	Y409-Q415 WeakPolarHBondContact CA-O 3.42Å; Y409-Q415 WeakPolarHBondContact CB-O 3.5Å; S413-Q415 PolarHBondContact O-N 3.39Å; S413-Q415 VanDerWaalsContact O-N 3.11Å
416	G	87.2	Confident	90.2	Very high	2 Å²	2	62.3 Å²	62.3	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	151.7	-175.6	0	0	0	0	0	112.6	W407 E408	W407-G416 VanDerWaalsContact CZ2-C 3.41Å; W407-G416 WeakPolarHBondContact CZ2-O 3.04Å; E408-G416 CarbonylContact O-C 3.58Å; E408-G416 VanDerWaalsContact O-CA 3.29Å; E408-G416 WeakPolarHBondContact O-CA 3.41Å
417	H	89.8	Confident	90.2	Very high	96 Å²	96	67 Å²	67	44%	0.444	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158.3	172.2	64.4	-66.3	0	0	0	110.2	E408	E408-H417 PolarHBondContact N-O 3.1Å; E408-H417 PolarHBondContact O-N 3.08Å; E408-H417 PolarHBondContact O-ND1 3.48Å; E408-H417 IonicContact OE2-NE2 3.25Å
418	W	90.9	Very high	90.1	Very high	13 Å²	13	69 Å²	69	5%	0.049	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	139.1	171.7	-70.4	106.7	0	0	0	111.1	L343 P349 V365 A405 F406 W407 A444 L446	L343-W418 HydrophobicContact CB-CZ2 3.76Å; L343-W418 HydrophobicContact CD1-CH2 4.46Å; L343-W418 HydrophobicContact CD1-CZ2 4.06Å; L343-W418 HydrophobicContact CG-CZ2 4.47Å; L343-W418 PolarHBondContact O-NE1 3.48Å; P349-W418 HydrophobicContact CB-CB 4.43Å; P349-W418 WeakPolarHBondContact CB-O 3.46Å; P349-W418 HydrophobicContact CG-CB 4.06Å; V365-W418 HydrophobicContact CG2-CZ2 4.08Å; A405-W418 HydrophobicContact CB-CE3 3.9Å; F406-W418 WeakPolarHBondContact O-CA 3.2Å; W407-W418 HydrophobicContact CB-CZ3 4.25Å; W407-W418 AromaticContact CE3-CD1 3.9Å; W407-W418 AromaticContact CE3-CD2 3.67Å; W407-W418 HydrophobicContact CE3-CD2 3.67Å; W407-W418 AromaticContact CE3-CE2 3.52Å; W407-W418 HydrophobicContact CE3-CE3 4.2Å; W407-W418 AromaticContact CE3-CG 3.92Å; W407-W418 HydrophobicContact CE3-CG 3.92Å; W407-W418 HydrophobicContact CE3-CH2 4.4Å; W407-W418 AromaticContact CE3-CZ2 3.94Å; W407-W418 HydrophobicContact CE3-CZ2 3.94Å; W407-W418 AromaticContact CE3-NE1 3.7Å; W407-W418 AromaticContact CZ3-CD1 3.54Å; W407-W418 HydrophobicContact CZ3-CD2 4.13Å; W407-W418 AromaticContact CZ3-CE2 3.79Å; W407-W418 AromaticContact CZ3-CG 3.99Å; W407-W418 HydrophobicContact CZ3-CG 3.99Å; W407-W418 HydrophobicContact CZ3-CZ2 4.43Å; W407-W418 AromaticContact CZ3-NE1 3.44Å; W418-A444 HydrophobicContact CH2-CB 3.4Å; W418-A444 VanDerWaalsContact CH2-CB 3.4Å; W418-A444 HydrophobicContact CZ2-CB 4.18Å; W418-A444 HydrophobicContact CZ3-CB 3.73Å; W418-L446 HydrophobicContact CB-CD1 4.03Å; W418-L446 HydrophobicContact CD2-CD2 4.22Å; W418-L446 HydrophobicContact CG-CD1 4.14Å; W418-L446 HydrophobicContact CG-CD2 4.35Å
419	S	90.4	Very high	90.2	Very high	7 Å²	7	67.7 Å²	67.7	5%	0.049	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.3	176.2	-171.9	0	0	0	0	109.9	A405 F406 E408	A405-S419 CarbonylContact C-O 3.48Å; A405-S419 VanDerWaalsContact CA-O 3.31Å; A405-S419 WeakPolarHBondContact CA-O 3.44Å; F406-S419 WeakPolarHBondContact CD1-O 3.26Å; F406-S419 WeakPolarHBondContact CE1-O 3.44Å; F406-S419 PolarHBondContact N-O 2.6Å; F406-S419 PolarHBondContact O-N 3.47Å; E408-S419 WeakPolarHBondContact OE2-CB 3.36Å; E408-S419 PolarHBondContact OE2-OG 3.44Å
420	T	89.7	Confident	90.1	Very high	35 Å²	35	67.9 Å²	67.9	22%	0.215	38%	0.38	C	S	.	.			trans	-114.9	-1.9	176.9	53.6	0	0	0	0	111.8	P349 K403 A405 G422 C423	P349-T420 HydrophobicContact CB-CG2 4.16Å; P349-T420 HydrophobicContact CG-CG2 4.08Å; P349-T420 PolarHBondContact O-OG1 2.9Å; K403-T420 HydrophobicContact CB-CG2 4.27Å; A405-T420 HydrophobicContact CB-CG2 4.14Å; T420-G422 PolarHBondContact O-N 3.04Å; T420-C423 PolarHBondContact O-N 2.87Å
421	K	89.8	Confident	90.3	Very high	164 Å²	164	66.3 Å²	66.3	71%	0.713	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	116	-175.1	-67.7	179.1	-177.1	168.7	0	111	F406	F406-K421 WeakPolarHBondContact CE1-O 3.37Å
422	G	87.8	Confident	90.7	Very high	37 Å²	37	62.8 Å²	62.8	38%	0.381	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	-4.6	-178.7	0	0	0	0	0	114.1	T420 C437 N438	T420-G422 PolarHBondContact O-N 3.04Å; G422-C437 WeakPolarHBondContact O-CA 3.31Å; G422-N438 PolarHBondContact O-N 3.4Å; G422-N438 PolarHBondContact O-OD1 3.04Å
423	C	93.3	Very high	91.2	Very high	17 Å²	17	59.2 Å²	59.2	12%	0.115	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.3	173.3	-69.7	0	0	0	0	111.7	C404 T420 S436 C437	C404-C423 HydrophobicContact CB-CB 4.24Å; T420-C423 PolarHBondContact O-N 2.87Å; C423-S436 CarbonylContact C-O 3.53Å; C423-S436 WeakPolarHBondContact CA-O 3.21Å; C423-C437 VanDerWaalsContact CA-SG 3.59Å; C423-C437 HydrophobicContact CB-CB 4.17Å; C423-C437 WeakPolarHBondContact CB-SG 3.39Å; C423-C437 WeakPolarHBondContact SG-CB 2.96Å; C423-C437 CovalentContact SG-SG 2.04Å; C423-C437 PolarHBondContact SG-SG 2.89Å
424	K	93.1	Very high	91.6	Very high	157 Å²	157	59.2 Å²	59.2	68%	0.683	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.4	177.1	-63.6	-177.5	-177	177.3	0	109.9	C435 S436	K424-C435 CarbonylContact O-C 3.45Å; K424-C435 WeakPolarHBondContact O-CA 3.21Å; K424-S436 PolarHBondContact N-O 3.38Å; K424-S436 PolarHBondContact O-N 3.2Å
425	T	92.8	Very high	91.9	Very high	61 Å²	61	58.3 Å²	58.3	37%	0.374	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.7	170.7	-49.7	0	0	0	0	109.4	C404 V428 T433	C404-T425 VanDerWaalsContact SG-CA 3.54Å; C404-T425 PolarHBondContact SG-OG1 2.97Å; T425-V428 HydrophobicContact CG2-CG2 3.39Å; T425-T433 HydrophobicContact CG2-CG2 3.88Å
426	L	93.6	Very high	92.3	Very high	107 Å²	107	54.5 Å²	54.5	56%	0.56	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	-50.7	178.7	-61.7	-178.9	0	0	0	110.8	T386 D434	T386-L426 HydrophobicContact CG2-CD1 4.32Å; L426-D434 HydrophobicContact CB-CB 4.11Å; L426-D434 PolarHBondContact N-O 2.67Å
427	H	93.6	Very high	92.7	Very high	110 Å²	110	54.5 Å²	54.5	51%	0.509	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142.5	-177.6	-177.1	67.5	0	0	0	110.5	D434	H427-D434 HydrophobicContact CB-CB 4.11Å; H427-D434 PolarHBondContact N-O 3.37Å; H427-D434 PolarHBondContact O-N 3Å
428	V	91.6	Very high	92.8	Very high	42 Å²	42	54.7 Å²	54.7	26%	0.255	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.3	178	-175.5	0	0	0	0	108.4	I395 T397 T402 T425 T433	I395-V428 HydrophobicContact CD1-CG1 3.64Å; T397-V428 HydrophobicContact CG2-CG1 4.15Å; T402-V428 HydrophobicContact CG2-CG1 4.26Å; T402-V428 WeakPolarHBondContact OG1-CG2 3.5Å; T425-V428 HydrophobicContact CG2-CG2 3.39Å; V428-T433 HydrophobicContact CG2-CG2 4.15Å
429	S	92.8	Very high	92.8	Very high	48 Å²	48	56.1 Å²	56.1	34%	0.336	31%	0.308	S	S	.	.			trans	-110.1	171.3	173	-178.5	0	0	0	0	110	H391 N431 A432	H391-S429 PolarHBondContact CE1-O 3.44Å; H391-S429 VanDerWaalsContact CE1-O 3.22Å; S429-N431 PolarHBondContact O-N 2.8Å; S429-A432 WeakPolarHBondContact CA-O 3.43Å; S429-A432 WeakPolarHBondContact CB-O 3.43Å; S429-A432 PolarHBondContact N-O 3.46Å
430	S	90.2	Very high	92.8	Very high	53 Å²	53	58 Å²	58	37%	0.371	32%	0.317	S	S	.	.	S	Bend	trans	-61.4	-32.6	175.1	62.6	0	0	0	0	112.2	H391 P394 I395	H391-S430 PolarHBondContact ND1-O 3.4Å; P394-S430 WeakPolarHBondContact CA-O 3.42Å; I395-S430 PolarHBondContact N-O 2.98Å
431	N	93.9	Very high	92.9	Very high	100 Å²	100	57.5 Å²	57.5	54%	0.535	31%	0.314	S	S	.	.	S	Bend	trans	-114.6	-7.5	-169.6	-64.6	11.9	0	0	0	114	R390 H391 S429	R390-N431 CarbonylContact C-O 3.56Å; R390-N431 WeakPolarHBondContact CA-O 3.04Å; H391-N431 PolarHBondContact N-O 2.94Å; S429-N431 PolarHBondContact O-N 2.8Å
432	A	94.7	Very high	93.1	Very high	22 Å²	22	49.7 Å²	49.7	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	155.4	-179.5	0	0	0	0	0	111.5	T388 L389 H391 S429	T388-A432 HydrophobicContact CG2-CB 4.21Å; L389-A432 VanDerWaalsContact O-CA 3.26Å; L389-A432 WeakPolarHBondContact O-CA 3.32Å; L389-A432 WeakPolarHBondContact O-CB 3.29Å; H391-A432 VanDerWaalsContact CE1-C 3.49Å; H391-A432 PolarHBondContact ND1-N 2.74Å; S429-A432 WeakPolarHBondContact CA-O 3.43Å; S429-A432 WeakPolarHBondContact CB-O 3.43Å; S429-A432 PolarHBondContact N-O 3.46Å
433	T	95.2	Very high	93.5	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.2	173.5	-66.8	0	0	0	0	110.4	L389 H391 T425 V428 I445	L389-T433 PolarHBondContact N-O 2.96Å; L389-T433 VanDerWaalsContact N-O 3.13Å; L389-T433 PolarHBondContact O-N 2.99Å; H391-T433 PolarHBondContact CE1-OG1 3.26Å; H391-T433 VanDerWaalsContact CE1-OG1 3.29Å; H391-T433 PolarHBondContact NE2-N 2.74Å; H391-T433 PolarHBondContact NE2-OG1 3.05Å; T425-T433 HydrophobicContact CG2-CG2 3.88Å; V428-T433 HydrophobicContact CG2-CG2 4.15Å; T433-I445 HydrophobicContact CG2-CD1 3.92Å
434	D	96	Very high	93.6	Very high	47 Å²	47	47.1 Å²	47.1	25%	0.251	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.9	174.5	-64.8	-31	0	0	0	110.4	F387 T388 L426 H427	F387-D434 WeakPolarHBondContact O-CA 3.41Å; T388-D434 WeakPolarHBondContact CB-OD1 3.34Å; T388-D434 WeakPolarHBondContact CG2-OD1 3.4Å; T388-D434 PolarHBondContact OG1-OD1 3.28Å; L426-D434 HydrophobicContact CB-CB 4.11Å; L426-D434 PolarHBondContact N-O 2.67Å; H427-D434 HydrophobicContact CB-CB 4.11Å; H427-D434 PolarHBondContact N-O 3.37Å; H427-D434 PolarHBondContact O-N 3Å
435	C	96.4	Very high	93.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.5	-175.7	-60.5	0	0	0	0	111.6	T386 F387 C404 K424 I445	T386-C435 VanDerWaalsContact CA-O 3.3Å; T386-C435 WeakPolarHBondContact CA-O 3.26Å; F387-C435 HydrophobicContact CD1-CB 4.24Å; F387-C435 HydrophobicContact CD2-CB 3.75Å; F387-C435 HydrophobicContact CE1-CB 3.77Å; F387-C435 HydrophobicContact CE2-CB 3.27Å; F387-C435 VanDerWaalsContact CE2-SG 3.52Å; F387-C435 HydrophobicContact CG-CB 4.24Å; F387-C435 HydrophobicContact CZ-CB 3.27Å; F387-C435 PolarHBondContact N-O 2.94Å; F387-C435 PolarHBondContact O-N 3.4Å; C404-C435 HydrophobicContact CB-CB 3.66Å; C404-C435 WeakPolarHBondContact CB-SG 3.45Å; C404-C435 WeakPolarHBondContact SG-CB 3.33Å; C404-C435 CovalentContact SG-SG 2.02Å; C404-C435 PolarHBondContact SG-SG 2.92Å; K424-C435 CarbonylContact O-C 3.45Å; K424-C435 WeakPolarHBondContact O-CA 3.21Å; C435-I445 WeakPolarHBondContact SG-CD1 3.28Å
436	S	96.1	Very high	93.5	Very high	24 Å²	24	36.8 Å²	36.8	17%	0.168	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.5	170.9	-175.9	0	0	0	0	110.4	V385 C423 K424	V385-S436 CarbonylContact O-C 3.27Å; V385-S436 VanDerWaalsContact O-CA 3.26Å; V385-S436 WeakPolarHBondContact O-CA 3.3Å; C423-S436 CarbonylContact C-O 3.53Å; C423-S436 WeakPolarHBondContact CA-O 3.21Å; K424-S436 PolarHBondContact N-O 3.38Å; K424-S436 PolarHBondContact O-N 3.2Å
437	C	95	Very high	93	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.8	175.6	-54.2	0	0	0	0	111.3	H384 V385 F387 G422 C423 F443	H384-C437 CarbonylContact C-O 3.47Å; H384-C437 WeakPolarHBondContact CA-O 3.5Å; H384-C437 WeakPolarHBondContact CB-O 3.33Å; V385-C437 HydrophobicContact CG1-CB 3.9Å; V385-C437 WeakPolarHBondContact CG1-O 3.25Å; V385-C437 PolarHBondContact N-O 3.22Å; V385-C437 PolarHBondContact O-N 3.11Å; F387-C437 VanDerWaalsContact CE1-SG 3.56Å; G422-C437 WeakPolarHBondContact O-CA 3.31Å; C423-C437 VanDerWaalsContact CA-SG 3.59Å; C423-C437 HydrophobicContact CB-CB 4.17Å; C423-C437 WeakPolarHBondContact CB-SG 3.39Å; C423-C437 WeakPolarHBondContact SG-CB 2.96Å; C423-C437 CovalentContact SG-SG 2.04Å; C423-C437 PolarHBondContact SG-SG 2.89Å; C437-F443 HydrophobicContact CB-CE1 3.8Å; C437-F443 HydrophobicContact CB-CZ 4.38Å
438	N	92.4	Very high	92.1	Very high	101 Å²	101	28 Å²	28	54%	0.54	16%	0.164	S	C	.	.	S	Bend	trans	-105	7.4	-178.1	67.4	-17.3	0	0	0	114.4	G422	G422-N438 PolarHBondContact O-N 3.4Å; G422-N438 PolarHBondContact O-OD1 3.04Å
439	H	91.2	Very high	90.8	Very high	43 Å²	43	27.1 Å²	27.1	20%	0.199	16%	0.16	C	C	.	.	S	Bend	trans	-134.2	173.6	177.2	55.1	72.9	0	0	0	109.8	V385 F406 T441 F443	V385-H439 VanDerWaalsContact CG1-O 3.32Å; V385-H439 WeakPolarHBondContact CG1-O 3.49Å; F406-H439 AromaticContact CD1-CE1 3.33Å; F406-H439 WeakPolarHBondContact CD1-CE1 3.47Å; F406-H439 AromaticContact CD1-NE2 3.48Å; F406-H439 WeakPolarHBondContact CD1-NE2 3.21Å; F406-H439 AromaticContact CD2-CE1 3.31Å; F406-H439 WeakPolarHBondContact CD2-CE1 3.33Å; F406-H439 AromaticContact CD2-ND1 3.93Å; F406-H439 AromaticContact CE1-CE1 3.58Å; F406-H439 AromaticContact CE1-NE2 3.31Å; F406-H439 VanDerWaalsContact CE1-NE2 3.31Å; F406-H439 WeakPolarHBondContact CE1-NE2 3.48Å; F406-H439 AromaticContact CE2-CE1 3.54Å; F406-H439 AromaticContact CE2-NE2 3.82Å; F406-H439 AromaticContact CG-CE1 3.19Å; F406-H439 WeakPolarHBondContact CG-CE1 3.31Å; F406-H439 AromaticContact CG-NE2 3.83Å; F406-H439 AromaticContact CZ-CE1 3.67Å; F406-H439 AromaticContact CZ-NE2 3.48Å; F406-H439 WeakPolarHBondContact CZ-NE2 3.44Å; H439-T441 PolarHBondContact CE1-OG1 2.78Å; H439-T441 PolarHBondContact ND1-OG1 3.21Å; H439-T441 VanDerWaalsContact ND1-OG1 3.14Å; H439-F443 AromaticContact CE1-CE1 3.89Å; H439-F443 WeakPolarHBondContact O-CZ 3.34Å
440	L	90.6	Very high	89.1	Confident	47 Å²	47	25.9 Å²	25.9	25%	0.246	16%	0.155	C	C	.	.			trans	-118.1	121.6	178.3	-68.6	-176.7	0	0	0	109.2	L316 A372 V374 L382 V385	L316-L440 HydrophobicContact CD2-CD2 3.54Å; A372-L440 HydrophobicContact CB-CD2 4.18Å; A372-L440 WeakPolarHBondContact O-CB 3.33Å; V374-L440 HydrophobicContact CB-CD1 4.07Å; V374-L440 HydrophobicContact CG2-CD1 3.48Å; V374-L440 VanDerWaalsContact CG2-CD1 3.48Å; L382-L440 HydrophobicContact CD1-CD1 4.43Å; L382-L440 HydrophobicContact CD1-CD2 4.06Å; L382-L440 HydrophobicContact CD1-CG 4.37Å; L382-L440 HydrophobicContact CD2-CD1 4.46Å; L382-L440 HydrophobicContact CD2-CD2 3.92Å; L382-L440 HydrophobicContact CD2-CG 3.76Å; V385-L440 HydrophobicContact CB-CD2 4.14Å; V385-L440 HydrophobicContact CG1-CD2 4.3Å
441	T	90.7	Very high	87.3	Confident	24 Å²	24	29.9 Å²	29.9	15%	0.147	16%	0.162	C	C	.	.	S	Bend	trans	-161.8	-162.6	-173	48.7	0	0	0	0	108.3	A371 A372 F406 H439 F443	A371-T441 WeakPolarHBondContact CA-O 3.14Å; A372-T441 PolarHBondContact N-O 2.77Å; F406-T441 WeakPolarHBondContact CB-OG1 3.28Å; F406-T441 HydrophobicContact CD2-CG2 3.95Å; F406-T441 WeakPolarHBondContact CD2-OG1 3.38Å; F406-T441 HydrophobicContact CE2-CG2 4.43Å; H439-T441 PolarHBondContact CE1-OG1 2.78Å; H439-T441 PolarHBondContact ND1-OG1 3.21Å; H439-T441 VanDerWaalsContact ND1-OG1 3.14Å; T441-F443 WeakPolarHBondContact O-CE2 3.4Å; T441-F443 WeakPolarHBondContact OG1-CE1 3.42Å
442	H	94.8	Very high	85.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.9	170.4	-56.9	70.4	0	0	0	109.8	L262 E266 V369 A371 F406 W407	L262-H442 WeakPolarHBondContact CB-NE2 3.2Å; E266-H442 IonicContact OE1-CE1 2.83Å; E266-H442 PolarHBondContact OE1-CE1 2.92Å; E266-H442 IonicContact OE1-ND1 2.63Å; E266-H442 IonicContact OE1-NE2 2.6Å; E266-H442 PolarHBondContact OE1-NE2 2.92Å; E266-H442 IonicContact OE2-CE1 2.96Å; V369-H442 HydrophobicContact CG1-CB 3.98Å; A371-H442 HydrophobicContact CB-CB 4.34Å; A371-H442 VanDerWaalsContact CB-CD2 3.41Å; A371-H442 WeakPolarHBondContact CB-CD2 3.44Å; F406-H442 CarbonylContact C-O 3.57Å; F406-H442 WeakPolarHBondContact CA-O 3.48Å; F406-H442 WeakPolarHBondContact CB-O 3.41Å; W407-H442 HydrophobicContact CB-CB 3.94Å; W407-H442 PolarHBondContact N-O 3.46Å
443	F	95.8	Very high	83.1	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146	-176	-57	-70.9	0	0	0	111.8	I314 V369 M370 V385 F387 A405 F406 C437 H439 T441	I314-F443 HydrophobicContact CD1-CD2 4.3Å; I314-F443 HydrophobicContact CD1-CE2 4.38Å; V369-F443 WeakPolarHBondContact CA-O 3.4Å; M370-F443 PolarHBondContact N-O 2.96Å; M370-F443 WeakPolarHBondContact O-CB 3.33Å; M370-F443 WeakPolarHBondContact O-CD2 3.24Å; M370-F443 PolarHBondContact O-N 3.46Å; V385-F443 HydrophobicContact CG1-CE1 4.41Å; V385-F443 HydrophobicContact CG1-CE2 4.14Å; V385-F443 HydrophobicContact CG1-CZ 3.7Å; F387-F443 HydrophobicContact CD1-CB 4.35Å; F387-F443 HydrophobicContact CD1-CD1 4.29Å; F387-F443 HydrophobicContact CD1-CD2 4.12Å; F387-F443 AromaticContact CD1-CG 3.98Å; F387-F443 HydrophobicContact CD1-CG 3.98Å; F387-F443 HydrophobicContact CD2-CB 4.41Å; F387-F443 HydrophobicContact CE1-CB 3.84Å; F387-F443 AromaticContact CE1-CD1 3.39Å; F387-F443 HydrophobicContact CE1-CD1 3.39Å; F387-F443 HydrophobicContact CE1-CD2 4.02Å; F387-F443 AromaticContact CE1-CE1 3.92Å; F387-F443 HydrophobicContact CE1-CE1 3.92Å; F387-F443 HydrophobicContact CE1-CE2 4.47Å; F387-F443 AromaticContact CE1-CG 3.46Å; F387-F443 HydrophobicContact CE1-CG 3.46Å; F387-F443 VanDerWaalsContact CE1-CG 3.46Å; F387-F443 HydrophobicContact CE1-CZ 4.43Å; F387-F443 HydrophobicContact CE2-CB 3.87Å; F387-F443 HydrophobicContact CE2-CG 4.41Å; F387-F443 HydrophobicContact CZ-CB 3.56Å; F387-F443 AromaticContact CZ-CD1 3.66Å; F387-F443 HydrophobicContact CZ-CD1 3.66Å; F387-F443 AromaticContact CZ-CG 3.69Å; F387-F443 HydrophobicContact CZ-CG 3.69Å; A405-F443 WeakPolarHBondContact O-CA 3.47Å; F406-F443 HydrophobicContact CB-CD1 3.78Å; F406-F443 HydrophobicContact CB-CE1 4.02Å; C437-F443 HydrophobicContact CB-CE1 3.8Å; C437-F443 HydrophobicContact CB-CZ 4.38Å; H439-F443 AromaticContact CE1-CE1 3.89Å; H439-F443 WeakPolarHBondContact O-CZ 3.34Å; T441-F443 WeakPolarHBondContact O-CE2 3.4Å; T441-F443 WeakPolarHBondContact OG1-CE1 3.42Å
444	A	95.3	Very high	81.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	167.5	171.1	0	0	0	0	0	111.7	V365 V369 A405 W418	V365-A444 HydrophobicContact CG1-CB 3.77Å; V369-A444 HydrophobicContact CG2-CB 4.25Å; A405-A444 PolarHBondContact N-O 2.86Å; A405-A444 PolarHBondContact O-N 3.37Å; A405-A444 VanDerWaalsContact O-O 3.1Å; W418-A444 HydrophobicContact CH2-CB 3.4Å; W418-A444 VanDerWaalsContact CH2-CB 3.4Å; W418-A444 HydrophobicContact CZ2-CB 4.18Å; W418-A444 HydrophobicContact CZ3-CB 3.73Å
445	I	93.6	Very high	79.2	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.7	172.8	-51.3	-55.8	0	0	0	109	N366 S367 F387 L389 T402 T433 C435	N366-I445 PolarHBondContact N-O 3.37Å; S367-I445 PolarHBondContact OG-N 3.4Å; F387-I445 HydrophobicContact CE2-CD1 4.32Å; L389-I445 HydrophobicContact CB-CD1 4.36Å; L389-I445 HydrophobicContact CB-CG1 3.86Å; L389-I445 HydrophobicContact CD1-CD1 4.25Å; L389-I445 HydrophobicContact CD1-CG1 4.08Å; T402-I445 HydrophobicContact CG2-CG2 4.33Å; T433-I445 HydrophobicContact CG2-CD1 3.92Å; C435-I445 WeakPolarHBondContact SG-CD1 3.28Å
446	L	89.6	Confident	77.3	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.3	172	-58.4	-179.5	0	0	0	109.9	P345 P349 I363 T364 V365 T402 K403 A405 W418	P345-L446 HydrophobicContact CG-CD2 4.34Å; P349-L446 HydrophobicContact CG-CD1 3.44Å; P349-L446 VanDerWaalsContact CG-CD1 3.44Å; I363-L446 HydrophobicContact CG2-CB 4.11Å; T364-L446 WeakPolarHBondContact O-CA 3.41Å; V365-L446 HydrophobicContact CB-CD2 4.42Å; V365-L446 HydrophobicContact CG2-CD2 3.75Å; T402-L446 CarbonylContact C-O 3.54Å; T402-L446 WeakPolarHBondContact CA-O 3.42Å; K403-L446 HydrophobicContact CB-CB 4.4Å; K403-L446 PolarHBondContact N-O 2.99Å; K403-L446 PolarHBondContact O-N 2.92Å; A405-L446 HydrophobicContact CB-CD1 3.5Å; A405-L446 VanDerWaalsContact CB-CD1 3.5Å; A405-L446 HydrophobicContact CB-CG 3.65Å; W418-L446 HydrophobicContact CB-CD1 4.03Å; W418-L446 HydrophobicContact CD2-CD2 4.22Å; W418-L446 HydrophobicContact CG-CD1 4.14Å; W418-L446 HydrophobicContact CG-CD2 4.35Å
447	M	83.5	Confident	75.7	Confident	15 Å²	15	36.9 Å²	36.9	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.4	178.4	-176.5	-176.6	67.8	0	0	110.8	I363 T364 N366 I395 V401	I363-M447 WeakPolarHBondContact CA-O 3.39Å; T364-M447 PolarHBondContact N-O 2.04Å; T364-M447 PolarHBondContact O-N 3.37Å; N366-M447 HydrophobicContact CB-CB 3.7Å; N366-M447 HydrophobicContact CB-CE 4.23Å; N366-M447 HydrophobicContact CB-SD 4.27Å; N366-M447 PolarHBondContact ND2-SD 3.02Å; I395-M447 HydrophobicContact CG2-SD 3.48Å; I395-M447 WeakPolarHBondContact CG2-SD 3.24Å; V401-M447 WeakPolarHBondContact O-CA 3.33Å
448	S	74.6	Confident	74.2	Confident	17 Å²	17	40.7 Å²	40.7	12%	0.119	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.9	162	-174.9	0	0	0	0	108.4	V401	V401-S448 PolarHBondContact N-O 3.15Å; V401-S448 PolarHBondContact O-N 3.4Å
449	S	64.3	Low	73.1	Confident	24 Å²	24	39.9 Å²	39.9	17%	0.168	23%	0.233	C	C	.	.			trans	-88.5	124.8	179.9	-174	0	0	0	0	112	D400 R451 N453	D400-S449 VanDerWaalsContact OD1-CA 3.28Å; D400-S449 WeakPolarHBondContact OD1-CA 3.46Å; D400-S449 WeakPolarHBondContact OD1-CB 3.3Å; D400-S449 PolarHBondContact OD1-OG 3.39Å; S449-R451 PolarHBondContact O-N 2.97Å; S449-R451 PolarHBondContact OG-N 3.23Å; S449-N453 PolarHBondContact O-ND2 2.76Å; S449-N453 PolarHBondContact O-OD1 3.48Å; S449-N453 VanDerWaalsContact O-OD1 3.11Å
450	G	57.2	Low	72.4	Confident	21 Å²	21	41.9 Å²	41.9	22%	0.216	24%	0.244	C	C	.	.	H	α-helix	trans	-67	-21.3	172	0	0	0	0	0	113.5	D400 N453 L454	D400-G450 PolarHBondContact OD1-N 3.29Å; G450-N453 PolarHBondContact O-N 3.06Å; G450-L454 PolarHBondContact O-N 2.98Å
451	R	53.2	Low	71.5	Confident	138 Å²	138	41.3 Å²	41.3	52%	0.521	24%	0.241	S	C	.	.	H	α-helix	trans	-72.5	-39.9	-178.8	-61.3	-176.9	-139.8	173.2	12.3	112.3	D400 S449 N453 L454 A455	D400-R451 IonicContact OD2-NE 3.08Å; D400-R451 IonicContact OD2-NH2 3.92Å; D400-R451 PolarHBondContact OD2-NH2 3.21Å; S449-R451 PolarHBondContact O-N 2.97Å; S449-R451 PolarHBondContact OG-N 3.23Å; R451-N453 PolarHBondContact O-N 3.26Å; R451-L454 PolarHBondContact O-N 3.09Å; R451-A455 WeakPolarHBondContact O-CB 3.4Å; R451-A455 PolarHBondContact O-N 2.97Å; R451-A455 VanDerWaalsContact O-N 3.08Å
452	A	47.9	Very low	70.7	Confident	54 Å²	54	43.5 Å²	43.5	45%	0.446	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-36.6	174.5	0	0	0	0	0	111.1	A455 A456	A452-A455 PolarHBondContact O-N 3.07Å; A452-A456 WeakPolarHBondContact O-CB 3.42Å; A452-A456 PolarHBondContact O-N 3.42Å
453	N	52.8	Low	70.1	Confident	24 Å²	24	50.9 Å²	50.9	13%	0.128	28%	0.282	C	S	.	.	H	α-helix	trans	-70.2	-46.2	-176.7	-51.6	-7.5	0	0	0	111.1	G359 T360 G361 S449 G450 R451 A455 A456 H457	G359-N453 PolarHBondContact O-ND2 3.25Å; T360-N453 WeakPolarHBondContact CA-ND2 2.99Å; G361-N453 WeakPolarHBondContact CA-OD1 3.22Å; G361-N453 PolarHBondContact N-ND2 3.28Å; G361-N453 PolarHBondContact N-OD1 3.4Å; S449-N453 PolarHBondContact O-ND2 2.76Å; S449-N453 PolarHBondContact O-OD1 3.48Å; S449-N453 VanDerWaalsContact O-OD1 3.11Å; G450-N453 PolarHBondContact O-N 3.06Å; R451-N453 PolarHBondContact O-N 3.26Å; N453-A455 VanDerWaalsContact C-N 3.32Å; N453-A455 PolarHBondContact O-N 3.11Å; N453-A456 PolarHBondContact O-N 2.71Å; N453-H457 PolarHBondContact O-CD2 3.04Å; N453-H457 PolarHBondContact O-N 3.23Å
454	L	54.8	Low	69.6	Low	116 Å²	116	53.1 Å²	53.1	61%	0.607	29%	0.294	S	S	*	.	H	α-helix	trans	-64.4	-39.9	177.7	-169	65.3	0	0	0	110.8	G450 R451 N458	G450-L454 PolarHBondContact O-N 2.98Å; R451-L454 PolarHBondContact O-N 3.09Å; L454-N458 WeakPolarHBondContact O-CB 3.4Å; L454-N458 PolarHBondContact O-N 3.47Å; L454-N458 PolarHBondContact O-ND2 3.07Å; L454-N458 VanDerWaalsContact O-ND2 3.1Å
455	A	53.8	Low	69.1	Low	52 Å²	52	54.5 Å²	54.5	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-42.7	176.6	0	0	0	0	0	112.7	R451 A452 N453 T459	R451-A455 WeakPolarHBondContact O-CB 3.4Å; R451-A455 PolarHBondContact O-N 2.97Å; R451-A455 VanDerWaalsContact O-N 3.08Å; A452-A455 PolarHBondContact O-N 3.07Å; N453-A455 VanDerWaalsContact C-N 3.32Å; N453-A455 PolarHBondContact O-N 3.11Å; A455-T459 WeakPolarHBondContact O-CB 3.45Å; A455-T459 PolarHBondContact O-N 3.16Å; A455-T459 PolarHBondContact O-OG1 3.11Å
456	A	56	Low	68.8	Low	50 Å²	50	58 Å²	58	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-48.9	178.5	0	0	0	0	0	112	A452 N453 N458 T459 I460	A452-A456 WeakPolarHBondContact O-CB 3.42Å; A452-A456 PolarHBondContact O-N 3.42Å; N453-A456 PolarHBondContact O-N 2.71Å; A456-N458 PolarHBondContact O-N 3.11Å; A456-T459 PolarHBondContact O-N 3.29Å; A456-I460 WeakPolarHBondContact O-CG1 3.27Å; A456-I460 PolarHBondContact O-N 3.2Å
457	H	63.1	Low	68.7	Low	45 Å²	45	63.5 Å²	63.5	21%	0.208	35%	0.347	C	S	.	.	H	α-helix	trans	-61.7	-42.3	176.4	-76.9	-60.5	0	0	0	112.1	N453 T459 I460 L461 Y681	N453-H457 PolarHBondContact O-CD2 3.04Å; N453-H457 PolarHBondContact O-N 3.23Å; H457-T459 VanDerWaalsContact C-N 3.31Å; H457-T459 PolarHBondContact O-N 2.56Å; H457-I460 PolarHBondContact O-N 2.99Å; H457-L461 VanDerWaalsContact O-CB 3.29Å; H457-L461 WeakPolarHBondContact O-CB 3.33Å; H457-L461 PolarHBondContact O-N 3.12Å; H457-Y681 AromaticContact ND1-CE2 3.81Å; H457-Y681 AromaticContact ND1-CZ 3.84Å; H457-Y681 PolarHBondContact ND1-OH 3.46Å
458	N	64	Low	69	Low	83 Å²	83	62.8 Å²	62.8	44%	0.444	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-40	175.7	-74.3	-18.4	0	0	0	112.1	L454 A456 T462	L454-N458 WeakPolarHBondContact O-CB 3.4Å; L454-N458 PolarHBondContact O-N 3.47Å; L454-N458 PolarHBondContact O-ND2 3.07Å; L454-N458 VanDerWaalsContact O-ND2 3.1Å; A456-N458 PolarHBondContact O-N 3.11Å; N458-T462 WeakPolarHBondContact O-CB 3.15Å; N458-T462 PolarHBondContact O-N 3.24Å; N458-T462 PolarHBondContact O-OG1 3.13Å
459	T	68.6	Low	69.6	Low	84 Å²	84	62.3 Å²	62.3	52%	0.515	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-46.1	178.4	-56.9	0	0	0	0	111	A455 A456 H457 T462 R463	A455-T459 WeakPolarHBondContact O-CB 3.45Å; A455-T459 PolarHBondContact O-N 3.16Å; A455-T459 PolarHBondContact O-OG1 3.11Å; A456-T459 PolarHBondContact O-N 3.29Å; H457-T459 VanDerWaalsContact C-N 3.31Å; H457-T459 PolarHBondContact O-N 2.56Å; T459-T462 PolarHBondContact O-N 3.08Å; T459-R463 WeakPolarHBondContact O-CG 3.44Å; T459-R463 PolarHBondContact O-N 3.47Å
460	I	75.9	Confident	71	Confident	84 Å²	84	65 Å²	65	43%	0.431	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-47.4	177.5	-66.6	165.6	0	0	0	110.6	A456 H457 T462 R463 I464 Y681	A456-I460 WeakPolarHBondContact O-CG1 3.27Å; A456-I460 PolarHBondContact O-N 3.2Å; H457-I460 PolarHBondContact O-N 2.99Å; I460-T462 VanDerWaalsContact C-N 3.32Å; I460-T462 PolarHBondContact O-N 3.2Å; I460-R463 PolarHBondContact O-N 3.11Å; I460-I464 HydrophobicContact CG2-CD1 3.94Å; I460-I464 WeakPolarHBondContact O-CG1 3.2Å; I460-I464 PolarHBondContact O-N 2.98Å; I460-Y681 HydrophobicContact CG2-CE1 4.16Å
461	L	71.8	Confident	72.7	Confident	35 Å²	35	67.5 Å²	67.5	18%	0.183	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-41.4	-179.4	-159.9	65.8	0	0	0	111.5	H457 R463 I464 T465 Y681 T684	H457-L461 VanDerWaalsContact O-CB 3.29Å; H457-L461 WeakPolarHBondContact O-CB 3.33Å; H457-L461 PolarHBondContact O-N 3.12Å; L461-R463 VanDerWaalsContact C-N 3.35Å; L461-R463 PolarHBondContact O-N 3.19Å; L461-I464 PolarHBondContact O-N 2.99Å; L461-T465 WeakPolarHBondContact O-CG2 3.39Å; L461-T465 PolarHBondContact O-N 3.4Å; L461-T465 PolarHBondContact O-OG1 3.35Å; L461-Y681 HydrophobicContact CD1-CD1 3.97Å; L461-Y681 HydrophobicContact CD1-CE1 4.15Å; L461-Y681 HydrophobicContact CD1-CG 4.42Å; L461-T684 VanDerWaalsContact CD1-CB 3.45Å; L461-T684 HydrophobicContact CD1-CG2 3.47Å; L461-T684 VanDerWaalsContact CD1-CG2 3.47Å; L461-T684 VanDerWaalsContact CD1-OG1 3.32Å; L461-T684 WeakPolarHBondContact CD1-OG1 3.38Å; L461-T684 HydrophobicContact CG-CG2 3.87Å
462	T	75.3	Confident	74.6	Confident	70 Å²	70	61 Å²	61	43%	0.429	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-40.8	176.1	-55	0	0	0	0	111.4	N458 T459 I460 T465 Q466	N458-T462 WeakPolarHBondContact O-CB 3.15Å; N458-T462 PolarHBondContact O-N 3.24Å; N458-T462 PolarHBondContact O-OG1 3.13Å; T459-T462 PolarHBondContact O-N 3.08Å; I460-T462 VanDerWaalsContact C-N 3.32Å; I460-T462 PolarHBondContact O-N 3.2Å; T462-T465 WeakPolarHBondContact CA-OG1 3.13Å; T462-T465 PolarHBondContact O-N 3.02Å; T462-T465 PolarHBondContact O-OG1 3.32Å; T462-Q466 VanDerWaalsContact O-CG 3.31Å; T462-Q466 WeakPolarHBondContact O-CG 3.42Å; T462-Q466 PolarHBondContact O-N 2.96Å
463	R	82.3	Confident	76.8	Confident	155 Å²	155	59.2 Å²	59.2	59%	0.585	32%	0.318	S	S	*	.	H	α-helix	trans	-65.5	-41.6	175.9	-67.6	-59	-174.1	-172	4.4	112.8	T459 I460 L461 Q466 L467	T459-R463 WeakPolarHBondContact O-CG 3.44Å; T459-R463 PolarHBondContact O-N 3.47Å; I460-R463 PolarHBondContact O-N 3.11Å; L461-R463 VanDerWaalsContact C-N 3.35Å; L461-R463 PolarHBondContact O-N 3.19Å; R463-Q466 PolarHBondContact O-N 3.28Å; R463-L467 PolarHBondContact O-N 2.86Å; R463-L467 VanDerWaalsContact O-N 3.1Å
464	I	84.4	Confident	78.8	Confident	47 Å²	47	62.8 Å²	62.8	24%	0.241	34%	0.336	C	S	.	.	H	α-helix	trans	-62.2	-47.1	176.1	-66.7	170	0	0	0	110.5	I460 L461 Q466 G468 Y681 T684 I685	I460-I464 HydrophobicContact CG2-CD1 3.94Å; I460-I464 WeakPolarHBondContact O-CG1 3.2Å; I460-I464 PolarHBondContact O-N 2.98Å; L461-I464 PolarHBondContact O-N 2.99Å; I464-Q466 PolarHBondContact O-N 3.04Å; I464-G468 PolarHBondContact O-N 3.38Å; I464-Y681 HydrophobicContact CD1-CD1 4.4Å; I464-Y681 HydrophobicContact CD1-CE1 4.17Å; I464-T684 HydrophobicContact CG2-CG2 4.31Å; I464-I685 HydrophobicContact CG2-CG1 4.17Å
465	T	84.4	Confident	80.6	Confident	30 Å²	30	58 Å²	58	18%	0.184	31%	0.312	C	S	.	.	H	α-helix	trans	-58.9	-47.5	177	55.5	0	0	0	0	112	L461 T462 M469 T684	L461-T465 WeakPolarHBondContact O-CG2 3.39Å; L461-T465 PolarHBondContact O-N 3.4Å; L461-T465 PolarHBondContact O-OG1 3.35Å; T462-T465 WeakPolarHBondContact CA-OG1 3.13Å; T462-T465 PolarHBondContact O-N 3.02Å; T462-T465 PolarHBondContact O-OG1 3.32Å; T465-M469 VanDerWaalsContact O-CB 3.25Å; T465-M469 WeakPolarHBondContact O-CB 3.4Å; T465-M469 WeakPolarHBondContact O-CE 3.44Å; T465-M469 WeakPolarHBondContact O-CG 3.05Å; T465-M469 PolarHBondContact O-N 2.95Å; T465-T684 HydrophobicContact CG2-CG2 3.31Å
466	Q	86.4	Confident	82.4	Confident	73 Å²	73	55.6 Å²	55.6	34%	0.341	29%	0.292	S	S	.	.	H	α-helix	trans	-59.4	-52.8	-178.8	-75.8	177.2	-14.4	0	0	112	T462 R463 I464 I470 L512	T462-Q466 VanDerWaalsContact O-CG 3.31Å; T462-Q466 WeakPolarHBondContact O-CG 3.42Å; T462-Q466 PolarHBondContact O-N 2.96Å; R463-Q466 PolarHBondContact O-N 3.28Å; I464-Q466 PolarHBondContact O-N 3.04Å; Q466-I470 WeakPolarHBondContact O-CD1 2.66Å; Q466-I470 WeakPolarHBondContact O-CG1 3.33Å; Q466-I470 PolarHBondContact O-N 3.43Å; Q466-I470 VanDerWaalsContact O-N 3.14Å; Q466-L512 HydrophobicContact CG-CD1 4.49Å
467	L	89.4	Confident	84.1	Confident	116 Å²	116	55.7 Å²	55.7	61%	0.607	29%	0.289	S	S	*	.	H	α-helix	trans	-66.9	-45.1	-178.2	-69.5	174	0	0	0	111.9	R463 I470 I471	R463-L467 PolarHBondContact O-N 2.86Å; R463-L467 VanDerWaalsContact O-N 3.1Å; L467-I470 PolarHBondContact O-N 3.21Å; L467-I471 WeakPolarHBondContact O-CG1 3.11Å; L467-I471 PolarHBondContact O-N 2.95Å
468	G	88.6	Confident	85.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-45.4	-179.9	0	0	0	0	0	112.3	I464 I470 I471 S472 A688	I464-G468 PolarHBondContact O-N 3.38Å; G468-I470 PolarHBondContact O-N 2.89Å; G468-I471 PolarHBondContact O-N 3.39Å; G468-S472 WeakPolarHBondContact O-CB 3.46Å; G468-S472 PolarHBondContact O-N 2.9Å; G468-A688 CarbonylContact C-O 3.08Å
469	M	87.9	Confident	86.5	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.034	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-36	178.7	-70.1	-170.6	-61.5	0	0	112.8	T465 I471 S472 L473 F511 L512	T465-M469 VanDerWaalsContact O-CB 3.25Å; T465-M469 WeakPolarHBondContact O-CB 3.4Å; T465-M469 WeakPolarHBondContact O-CE 3.44Å; T465-M469 WeakPolarHBondContact O-CG 3.05Å; T465-M469 PolarHBondContact O-N 2.95Å; M469-I471 VanDerWaalsContact C-N 3.34Å; M469-I471 PolarHBondContact O-N 2.67Å; M469-S472 WeakPolarHBondContact O-CB 3.35Å; M469-S472 PolarHBondContact O-N 3.37Å; M469-L473 WeakPolarHBondContact O-CB 3.39Å; M469-L473 VanDerWaalsContact O-CG 3.26Å; M469-L473 WeakPolarHBondContact O-CG 3.18Å; M469-L473 PolarHBondContact O-N 2.96Å; M469-F511 HydrophobicContact CE-CD1 3.56Å; M469-F511 HydrophobicContact CE-CE1 3.79Å; M469-F511 HydrophobicContact SD-CD1 3.37Å; M469-F511 WeakPolarHBondContact SD-CD1 3.42Å; M469-F511 HydrophobicContact SD-CE1 3.8Å; M469-F511 HydrophobicContact SD-CG 4.34Å; M469-L512 HydrophobicContact CE-CB 4.21Å; M469-L512 HydrophobicContact CE-CD1 3.74Å
470	I	92.9	Very high	87.5	Confident	82 Å²	82	51 Å²	51	42%	0.421	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-46.4	173.8	-70.4	165.1	0	0	0	110.5	Q466 L467 G468 S472 L473 I474 L512	Q466-I470 WeakPolarHBondContact O-CD1 2.66Å; Q466-I470 WeakPolarHBondContact O-CG1 3.33Å; Q466-I470 PolarHBondContact O-N 3.43Å; Q466-I470 VanDerWaalsContact O-N 3.14Å; L467-I470 PolarHBondContact O-N 3.21Å; G468-I470 PolarHBondContact O-N 2.89Å; I470-S472 VanDerWaalsContact C-N 3.35Å; I470-S472 PolarHBondContact O-N 2.99Å; I470-L473 PolarHBondContact O-N 3.35Å; I470-I474 HydrophobicContact CG2-CD1 4.16Å; I470-I474 WeakPolarHBondContact O-CG1 3.46Å; I470-I474 PolarHBondContact O-N 3.45Å; I470-I474 VanDerWaalsContact O-N 3.11Å; I470-L512 HydrophobicContact CG1-CD2 4.15Å
471	I	93	Very high	88.1	Confident	73 Å²	73	52.9 Å²	52.9	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-45.7	176.7	-65.8	166.1	0	0	0	110.3	L467 G468 M469 L473 I474 C475 F689 M692	L467-I471 WeakPolarHBondContact O-CG1 3.11Å; L467-I471 PolarHBondContact O-N 2.95Å; G468-I471 PolarHBondContact O-N 3.39Å; M469-I471 VanDerWaalsContact C-N 3.34Å; M469-I471 PolarHBondContact O-N 2.67Å; I471-L473 PolarHBondContact O-N 2.91Å; I471-I474 PolarHBondContact O-N 2.9Å; I471-C475 PolarHBondContact O-N 3.43Å; I471-C475 PolarHBondContact O-SG 3.21Å; I471-F689 HydrophobicContact CD1-CE1 4.17Å; I471-M692 HydrophobicContact CG2-SD 4.36Å
472	S	93.1	Very high	88.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-45.1	177.9	-173.2	0	0	0	0	112.4	G468 M469 I470 I474 C475 L476 E508 A688 G691	G468-S472 WeakPolarHBondContact O-CB 3.46Å; G468-S472 PolarHBondContact O-N 2.9Å; M469-S472 WeakPolarHBondContact O-CB 3.35Å; M469-S472 PolarHBondContact O-N 3.37Å; I470-S472 VanDerWaalsContact C-N 3.35Å; I470-S472 PolarHBondContact O-N 2.99Å; S472-I474 PolarHBondContact O-N 3.44Å; S472-C475 PolarHBondContact O-N 3.08Å; S472-L476 WeakPolarHBondContact O-CB 3.23Å; S472-L476 WeakPolarHBondContact O-CG 3.44Å; S472-L476 PolarHBondContact O-N 2.77Å; S472-E508 WeakPolarHBondContact CB-OE2 3.47Å; S472-E508 PolarHBondContact OG-OE1 3.41Å; S472-E508 PolarHBondContact OG-OE2 3.3Å; S472-A688 WeakPolarHBondContact CB-O 3.42Å; S472-G691 WeakPolarHBondContact OG-CA 3.1Å; S472-G691 PolarHBondContact OG-N 3.16Å
473	L	94.2	Very high	89.1	Confident	18 Å²	18	48.6 Å²	48.6	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-40.2	177	-73.9	171.6	0	0	0	112.5	M469 I470 I471 S477 F505 E508 F509 L512	M469-L473 WeakPolarHBondContact O-CB 3.39Å; M469-L473 VanDerWaalsContact O-CG 3.26Å; M469-L473 WeakPolarHBondContact O-CG 3.18Å; M469-L473 PolarHBondContact O-N 2.96Å; I470-L473 PolarHBondContact O-N 3.35Å; I471-L473 PolarHBondContact O-N 2.91Å; L473-S477 VanDerWaalsContact O-CB 3.32Å; L473-S477 WeakPolarHBondContact O-CB 3.41Å; L473-S477 PolarHBondContact O-N 2.93Å; L473-S477 PolarHBondContact O-OG 3.06Å; L473-F505 HydrophobicContact CB-CE2 4.31Å; L473-F505 HydrophobicContact CD2-CD2 3.58Å; L473-F505 HydrophobicContact CD2-CE2 3.69Å; L473-F505 HydrophobicContact CD2-CG 4.25Å; L473-F505 HydrophobicContact CD2-CZ 4.45Å; L473-E508 HydrophobicContact CD2-CB 3.87Å; L473-E508 HydrophobicContact CG-CB 4.41Å; L473-F509 HydrophobicContact CD2-CB 4.16Å; L473-L512 HydrophobicContact CD1-CD2 3.87Å
474	I	94.7	Very high	89.1	Confident	98 Å²	98	49.6 Å²	49.6	50%	0.503	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-48.4	174.5	-66.5	166.1	0	0	0	109.9	I470 I471 S472 L476 S477 L478	I470-I474 HydrophobicContact CG2-CD1 4.16Å; I470-I474 WeakPolarHBondContact O-CG1 3.46Å; I470-I474 PolarHBondContact O-N 3.45Å; I470-I474 VanDerWaalsContact O-N 3.11Å; I471-I474 PolarHBondContact O-N 2.9Å; S472-I474 PolarHBondContact O-N 3.44Å; I474-L476 PolarHBondContact O-N 3.39Å; I474-S477 WeakPolarHBondContact O-CB 3.47Å; I474-S477 PolarHBondContact O-N 3.27Å; I474-L478 HydrophobicContact CG2-CD1 4.26Å; I474-L478 WeakPolarHBondContact O-CG 3.29Å; I474-L478 PolarHBondContact O-N 3.38Å
475	C	93.4	Very high	88.9	Confident	17 Å²	17	53.3 Å²	53.3	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-43.5	178.1	-73.7	0	0	0	0	112.8	I471 S472 L478 C479 F695	I471-C475 PolarHBondContact O-N 3.43Å; I471-C475 PolarHBondContact O-SG 3.21Å; S472-C475 PolarHBondContact O-N 3.08Å; C475-L478 PolarHBondContact O-N 3.48Å; C475-C479 WeakPolarHBondContact O-CB 3.33Å; C475-C479 PolarHBondContact O-N 3.09Å; C475-F695 HydrophobicContact CB-CB 3.78Å; C475-F695 HydrophobicContact CB-CD1 4.46Å; C475-F695 HydrophobicContact CB-CG 4.14Å; C475-F695 WeakPolarHBondContact O-CD2 3.32Å
476	L	91.6	Very high	88.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.4	-37.6	176.2	-73.1	172.8	0	0	0	111.8	S472 I474 C479 I480 C501 L504 F505 I694	S472-L476 WeakPolarHBondContact O-CB 3.23Å; S472-L476 WeakPolarHBondContact O-CG 3.44Å; S472-L476 PolarHBondContact O-N 2.77Å; I474-L476 PolarHBondContact O-N 3.39Å; L476-C479 WeakPolarHBondContact O-CB 3.23Å; L476-C479 PolarHBondContact O-N 2.92Å; L476-I480 VanDerWaalsContact O-CG1 3.28Å; L476-I480 WeakPolarHBondContact O-CG1 3.26Å; L476-I480 PolarHBondContact O-N 3.05Å; L476-C501 HydrophobicContact CD2-CB 4.24Å; L476-L504 HydrophobicContact CD1-CB 4.25Å; L476-F505 HydrophobicContact CB-CB 4.42Å; L476-F505 HydrophobicContact CB-CD2 4.23Å; L476-F505 HydrophobicContact CD1-CB 4.43Å; L476-I694 HydrophobicContact CD2-CG2 4.31Å
477	S	92.1	Very high	87.4	Confident	52 Å²	52	53.6 Å²	53.6	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-62.1	-46.2	175.2	-59.8	0	0	0	0	111.5	L473 I474 C479 I480 F481 F505	L473-S477 VanDerWaalsContact O-CB 3.32Å; L473-S477 WeakPolarHBondContact O-CB 3.41Å; L473-S477 PolarHBondContact O-N 2.93Å; L473-S477 PolarHBondContact O-OG 3.06Å; I474-S477 WeakPolarHBondContact O-CB 3.47Å; I474-S477 PolarHBondContact O-N 3.27Å; S477-C479 VanDerWaalsContact C-N 3.31Å; S477-C479 PolarHBondContact O-N 2.88Å; S477-I480 PolarHBondContact O-N 3.46Å; S477-F481 WeakPolarHBondContact O-CB 3.37Å; S477-F481 PolarHBondContact O-N 2.97Å; S477-F505 WeakPolarHBondContact OG-CE2 3.4Å
478	L	89.6	Confident	86.3	Confident	85 Å²	85	55.8 Å²	55.8	45%	0.445	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-39.8	174.6	-68	173.6	0	0	0	111.6	I474 C475 F481 T482 F695	I474-L478 HydrophobicContact CG2-CD1 4.26Å; I474-L478 WeakPolarHBondContact O-CG 3.29Å; I474-L478 PolarHBondContact O-N 3.38Å; C475-L478 PolarHBondContact O-N 3.48Å; L478-F481 PolarHBondContact O-N 3.09Å; L478-T482 WeakPolarHBondContact O-CB 3.32Å; L478-T482 PolarHBondContact O-N 3.37Å; L478-T482 PolarHBondContact O-OG1 3.2Å; L478-F695 HydrophobicContact CB-CD2 4.38Å; L478-F695 HydrophobicContact CB-CE2 3.93Å
479	C	87.9	Confident	85.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-48.7	175.4	-169.9	0	0	0	0	112	C475 L476 S477 T482 F483 C501 F695	C475-C479 WeakPolarHBondContact O-CB 3.33Å; C475-C479 PolarHBondContact O-N 3.09Å; L476-C479 WeakPolarHBondContact O-CB 3.23Å; L476-C479 PolarHBondContact O-N 2.92Å; S477-C479 VanDerWaalsContact C-N 3.31Å; S477-C479 PolarHBondContact O-N 2.88Å; C479-T482 WeakPolarHBondContact O-CB 3.46Å; C479-T482 PolarHBondContact O-N 2.98Å; C479-F483 WeakPolarHBondContact O-CD2 3.33Å; C479-F483 PolarHBondContact O-N 3.49Å; C479-F483 VanDerWaalsContact O-N 3.15Å; C479-F483 WeakPolarHBondContact SG-CE2 3.37Å; C479-C501 VanDerWaalsContact SG-SG 3.6Å; C479-F695 HydrophobicContact CB-CD2 4.11Å
480	I	89.2	Confident	84.6	Confident	29 Å²	29	62.7 Å²	62.7	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-45.5	178.4	-67	163.3	0	0	0	110.7	L476 S477 T482 F483 W484 C501 F505	L476-I480 VanDerWaalsContact O-CG1 3.28Å; L476-I480 WeakPolarHBondContact O-CG1 3.26Å; L476-I480 PolarHBondContact O-N 3.05Å; S477-I480 PolarHBondContact O-N 3.46Å; I480-T482 VanDerWaalsContact C-N 3.3Å; I480-T482 PolarHBondContact O-N 3.5Å; I480-F483 PolarHBondContact O-N 3.2Å; I480-W484 PolarHBondContact O-N 3.18Å; I480-C501 HydrophobicContact CD1-CB 4.42Å; I480-C501 HydrophobicContact CG1-CB 3.88Å; I480-F505 HydrophobicContact CD1-CB 4.04Å; I480-F505 HydrophobicContact CD1-CG 4.29Å
481	F	88.1	Confident	83.9	Confident	123 Å²	123	61.9 Å²	61.9	54%	0.539	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-44.2	177.6	179.7	-98.8	0	0	0	111.5	S477 L478 F483 W484 F485	S477-F481 WeakPolarHBondContact O-CB 3.37Å; S477-F481 PolarHBondContact O-N 2.97Å; L478-F481 PolarHBondContact O-N 3.09Å; F481-F483 PolarHBondContact O-N 3.04Å; F481-W484 PolarHBondContact O-N 2.97Å; F481-W484 VanDerWaalsContact O-N 3.16Å; F481-F485 HydrophobicContact CE1-CB 4.28Å; F481-F485 HydrophobicContact CE1-CG 4.39Å; F481-F485 HydrophobicContact CZ-CB 4.27Å; F481-F485 HydrophobicContact CZ-CD2 4.06Å; F481-F485 HydrophobicContact CZ-CG 4.18Å; F481-F485 WeakPolarHBondContact O-CB 3.37Å; F481-F485 PolarHBondContact O-N 3.35Å
482	T	84.4	Confident	83.3	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-45.5	177.9	-55.9	0	0	0	0	111.4	L478 C479 I480 W484 F486 I705 Y709	L478-T482 WeakPolarHBondContact O-CB 3.32Å; L478-T482 PolarHBondContact O-N 3.37Å; L478-T482 PolarHBondContact O-OG1 3.2Å; C479-T482 WeakPolarHBondContact O-CB 3.46Å; C479-T482 PolarHBondContact O-N 2.98Å; I480-T482 VanDerWaalsContact C-N 3.3Å; I480-T482 PolarHBondContact O-N 3.5Å; T482-W484 VanDerWaalsContact C-N 3.31Å; T482-W484 PolarHBondContact O-N 2.03Å; T482-F486 HydrophobicContact CG2-CD2 3.83Å; T482-F486 HydrophobicContact CG2-CE2 3.98Å; T482-F486 VanDerWaalsContact O-CD2 3.25Å; T482-F486 WeakPolarHBondContact O-CD2 3.22Å; T482-F486 PolarHBondContact O-N 3.09Å; T482-I705 HydrophobicContact CG2-CG2 4.2Å; T482-Y709 HydrophobicContact CG2-CE2 4.1Å; T482-Y709 WeakPolarHBondContact CG2-OH 3.34Å; T482-Y709 PolarHBondContact OG1-OH 3.45Å
483	F	83.4	Confident	82.5	Confident	12 Å²	12	63.8 Å²	63.8	5%	0.053	32%	0.317	C	S	.	.	H	α-helix	trans	-72.4	-21.7	177.9	-62.7	-37.5	0	0	0	114.3	C479 I480 F481 T494 H497 K498 L698 I705	C479-F483 WeakPolarHBondContact O-CD2 3.33Å; C479-F483 PolarHBondContact O-N 3.49Å; C479-F483 VanDerWaalsContact O-N 3.15Å; C479-F483 WeakPolarHBondContact SG-CE2 3.37Å; I480-F483 PolarHBondContact O-N 3.2Å; F481-F483 PolarHBondContact O-N 3.04Å; F483-T494 HydrophobicContact CD1-CG2 4.37Å; F483-T494 HydrophobicContact CE1-CG2 4.22Å; F483-H497 HydrophobicContact CE2-CB 3.92Å; F483-H497 HydrophobicContact CZ-CB 4.25Å; F483-K498 HydrophobicContact CB-CB 4.42Å; F483-K498 HydrophobicContact CD2-CB 4.37Å; F483-L698 HydrophobicContact CE2-CD1 4.46Å; F483-L698 HydrophobicContact CZ-CB 4.3Å; F483-I705 HydrophobicContact CE1-CD1 3.77Å
484	W	82.1	Confident	81.9	Confident	176 Å²	176	64 Å²	64	67%	0.667	32%	0.319	S	S	*	.	H	α-helix	trans	-80.1	-47.1	174.6	-98.8	58.7	0	0	0	112.7	I480 F481 T482	I480-W484 PolarHBondContact O-N 3.18Å; F481-W484 PolarHBondContact O-N 2.97Å; F481-W484 VanDerWaalsContact O-N 3.16Å; T482-W484 VanDerWaalsContact C-N 3.31Å; T482-W484 PolarHBondContact O-N 2.03Å
485	F	79.9	Confident	81.5	Confident	124 Å²	124	60.5 Å²	60.5	54%	0.544	30%	0.302	S	S	.	.	H	α-helix	trans	-74.7	-38.9	-169.6	-169.9	-101	0	0	0	112.6	F481 S487 L712	F481-F485 HydrophobicContact CE1-CB 4.28Å; F481-F485 HydrophobicContact CE1-CG 4.39Å; F481-F485 HydrophobicContact CZ-CB 4.27Å; F481-F485 HydrophobicContact CZ-CD2 4.06Å; F481-F485 HydrophobicContact CZ-CG 4.18Å; F481-F485 WeakPolarHBondContact O-CB 3.37Å; F481-F485 PolarHBondContact O-N 3.35Å; F485-S487 PolarHBondContact O-N 2.81Å; F485-S487 VanDerWaalsContact O-N 3.09Å; F485-L712 HydrophobicContact CE1-CD1 4.22Å
486	F	75	Confident	81.2	Confident	28 Å²	28	59.8 Å²	59.8	12%	0.123	30%	0.297	C	S	.	.			trans	-86.3	81.4	179.8	-63.7	-70.7	0	0	0	111.3	T482 E488 I489 Y709 L712	T482-F486 HydrophobicContact CG2-CD2 3.83Å; T482-F486 HydrophobicContact CG2-CE2 3.98Å; T482-F486 VanDerWaalsContact O-CD2 3.25Å; T482-F486 WeakPolarHBondContact O-CD2 3.22Å; T482-F486 PolarHBondContact O-N 3.09Å; F486-E488 PolarHBondContact O-N 2.93Å; F486-I489 HydrophobicContact CB-CB 4.14Å; F486-I489 HydrophobicContact CB-CD1 3.37Å; F486-I489 HydrophobicContact CB-CG1 3.72Å; F486-I489 HydrophobicContact CD1-CD1 4.35Å; F486-I489 HydrophobicContact CD2-CD1 4.11Å; F486-I489 HydrophobicContact CG-CD1 3.71Å; F486-I489 PolarHBondContact O-N 3.12Å; F486-Y709 HydrophobicContact CE2-CE1 4.38Å; F486-L712 HydrophobicContact CE1-CB 4.43Å; F486-L712 HydrophobicContact CE1-CD1 3.82Å; F486-L712 HydrophobicContact CZ-CB 4.41Å; F486-L712 HydrophobicContact CZ-CD1 3.99Å; F486-L712 HydrophobicContact CZ-CD2 4.35Å; F486-L712 HydrophobicContact CZ-CG 4.48Å
487	S	65.1	Low	80.9	Confident	82 Å²	82	60.6 Å²	60.6	57%	0.573	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-57.3	-31	176.7	60.8	0	0	0	0	112.8	F485 I489 Q490	F485-S487 PolarHBondContact O-N 2.81Å; F485-S487 VanDerWaalsContact O-N 3.09Å; S487-I489 PolarHBondContact O-N 3.23Å; S487-Q490 WeakPolarHBondContact O-CB 3.38Å; S487-Q490 WeakPolarHBondContact O-CG 2.98Å; S487-Q490 PolarHBondContact O-N 2.79Å
488	E	67.2	Low	80.7	Confident	161 Å²	161	60.5 Å²	60.5	75%	0.752	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-66.1	-20.3	176.4	-65	-171.4	168.1	0	0	113.7	F486	F486-E488 PolarHBondContact O-N 2.93Å
489	I	68.6	Low	80.8	Confident	29 Å²	29	57 Å²	57	15%	0.149	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-95.5	0.8	-179.2	-51.1	173.4	0	0	0	111.4	F486 S487 S491 T494 E708	F486-I489 HydrophobicContact CB-CB 4.14Å; F486-I489 HydrophobicContact CB-CD1 3.37Å; F486-I489 HydrophobicContact CB-CG1 3.72Å; F486-I489 HydrophobicContact CD1-CD1 4.35Å; F486-I489 HydrophobicContact CD2-CD1 4.11Å; F486-I489 HydrophobicContact CG-CD1 3.71Å; F486-I489 PolarHBondContact O-N 3.12Å; S487-I489 PolarHBondContact O-N 3.23Å; I489-S491 PolarHBondContact O-N 3.21Å; I489-S491 VanDerWaalsContact O-N 3.14Å; I489-T494 HydrophobicContact CG2-CG2 4.23Å; I489-T494 PolarHBondContact O-OG1 3.02Å; I489-E708 HydrophobicContact CD1-CB 3.73Å; I489-E708 HydrophobicContact CD1-CG 3.56Å; I489-E708 HydrophobicContact CG1-CG 3.9Å
490	Q	72.2	Confident	80.9	Confident	123 Å²	123	57 Å²	57	58%	0.575	28%	0.276	S	S	*	.			trans	-68.7	114.7	-178.3	-70.2	-176.1	5.5	0	0	111.7	S487	S487-Q490 WeakPolarHBondContact O-CB 3.38Å; S487-Q490 WeakPolarHBondContact O-CG 2.98Å; S487-Q490 PolarHBondContact O-N 2.79Å
491	S	77.8	Confident	81	Confident	65 Å²	65	55.7 Å²	55.7	46%	0.455	27%	0.269	S	S	.	.			trans	-138.4	155.7	179.1	-179.7	0	0	0	0	108	I489 R493 T494 T495	I489-S491 PolarHBondContact O-N 3.21Å; I489-S491 VanDerWaalsContact O-N 3.14Å; S491-R493 PolarHBondContact O-N 3.31Å; S491-T494 PolarHBondContact N-OG1 2.82Å; S491-T494 PolarHBondContact O-N 3.43Å; S491-T494 PolarHBondContact O-OG1 3.19Å; S491-T495 PolarHBondContact O-N 3.33Å; S491-T495 PolarHBondContact O-OG1 2.99Å
492	T	78.9	Confident	81.2	Confident	44 Å²	44	51.8 Å²	51.8	27%	0.27	26%	0.256	S	S	.	.	H	α-helix	trans	-47	-36.3	172.9	-50.6	0	0	0	0	112.2	I496 F567	T492-I496 HydrophobicContact CG2-CD1 4.37Å; T492-I496 WeakPolarHBondContact O-CD1 3.36Å; T492-I496 VanDerWaalsContact O-CG1 3.31Å; T492-I496 WeakPolarHBondContact O-CG1 3.28Å; T492-I496 PolarHBondContact O-N 2.94Å; T492-I496 VanDerWaalsContact O-N 3.11Å; T492-F567 HydrophobicContact CG2-CE2 4.16Å
493	R	78	Confident	81.6	Confident	69 Å²	69	51.6 Å²	51.6	26%	0.26	26%	0.256	S	S	.	.	H	α-helix	trans	-66.8	-48.5	176.3	-177.3	-177.9	-61.3	160.4	1.9	113.3	S491 T495 I496 H497 C650	S491-R493 PolarHBondContact O-N 3.31Å; R493-T495 VanDerWaalsContact C-N 3.25Å; R493-T495 PolarHBondContact O-N 3.41Å; R493-I496 WeakPolarHBondContact O-CB 3.43Å; R493-I496 PolarHBondContact O-N 3.43Å; R493-H497 WeakPolarHBondContact CG-NE2 3.39Å; R493-H497 PolarHBondContact O-CD2 2.95Å; R493-H497 PolarHBondContact O-N 2.87Å; R493-C650 PolarHBondContact NE-SG 3.12Å; R493-C650 VanDerWaalsContact NE-SG 3.42Å; R493-C650 PolarHBondContact NH1-SG 3.25Å; R493-C650 PolarHBondContact NH2-SG 3.34Å
494	T	80.6	Confident	82	Confident	22 Å²	22	51.1 Å²	51.1	14%	0.135	25%	0.253	C	S	.	.	H	α-helix	trans	-70.6	-26.7	-179.4	50	0	0	0	0	111.3	F483 I489 S491 K498	F483-T494 HydrophobicContact CD1-CG2 4.37Å; F483-T494 HydrophobicContact CE1-CG2 4.22Å; I489-T494 HydrophobicContact CG2-CG2 4.23Å; I489-T494 PolarHBondContact O-OG1 3.02Å; S491-T494 PolarHBondContact N-OG1 2.82Å; S491-T494 PolarHBondContact O-N 3.43Å; S491-T494 PolarHBondContact O-OG1 3.19Å; T494-K498 VanDerWaalsContact O-CB 3.23Å; T494-K498 WeakPolarHBondContact O-CB 3Å; T494-K498 PolarHBondContact O-N 3.42Å
495	T	85.8	Confident	82.7	Confident	25 Å²	25	45.3 Å²	45.3	15%	0.153	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-42.4	168	-58.7	0	0	0	0	112.6	S491 R493 K498 N499 Y568	S491-T495 PolarHBondContact O-N 3.33Å; S491-T495 PolarHBondContact O-OG1 2.99Å; R493-T495 VanDerWaalsContact C-N 3.25Å; R493-T495 PolarHBondContact O-N 3.41Å; T495-K498 WeakPolarHBondContact O-CB 3.47Å; T495-K498 PolarHBondContact O-N 3.04Å; T495-N499 PolarHBondContact O-N 3.21Å; T495-N499 VanDerWaalsContact O-N 3.09Å; T495-N499 PolarHBondContact O-ND2 3.39Å; T495-N499 VanDerWaalsContact O-ND2 3.07Å; T495-Y568 HydrophobicContact CG2-CE2 4.36Å; T495-Y568 WeakPolarHBondContact CG2-OH 3Å
496	I	86.9	Confident	83.4	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-49.5	174.1	-69.4	160.8	0	0	0	110.4	T492 R493 K498 N499 L500 W541 I544 E545 H548 F567	T492-I496 HydrophobicContact CG2-CD1 4.37Å; T492-I496 WeakPolarHBondContact O-CD1 3.36Å; T492-I496 VanDerWaalsContact O-CG1 3.31Å; T492-I496 WeakPolarHBondContact O-CG1 3.28Å; T492-I496 PolarHBondContact O-N 2.94Å; T492-I496 VanDerWaalsContact O-N 3.11Å; R493-I496 WeakPolarHBondContact O-CB 3.43Å; R493-I496 PolarHBondContact O-N 3.43Å; I496-K498 VanDerWaalsContact C-N 3.32Å; I496-K498 PolarHBondContact O-N 3.21Å; I496-N499 PolarHBondContact O-N 3.4Å; I496-L500 PolarHBondContact O-N 2.88Å; I496-W541 HydrophobicContact CG1-CE3 4.43Å; I496-W541 HydrophobicContact CG1-CZ3 4.23Å; I496-W541 HydrophobicContact CG2-CE3 4.23Å; I496-I544 HydrophobicContact CD1-CG2 3.89Å; I496-I544 HydrophobicContact CG1-CG2 4.04Å; I496-E545 HydrophobicContact CG2-CB 3.88Å; I496-E545 HydrophobicContact CG2-CG 4.4Å; I496-H548 HydrophobicContact CD1-CB 3.99Å; I496-F567 HydrophobicContact CD1-CD2 4.45Å; I496-F567 HydrophobicContact CD1-CE2 4.22Å
497	H	85.8	Confident	84.2	Confident	16 Å²	16	41.5 Å²	41.5	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-37.6	177.4	-62.3	-38.9	0	0	0	112.7	F483 R493 N499 L500 C501 E545 L698	F483-H497 HydrophobicContact CE2-CB 3.92Å; F483-H497 HydrophobicContact CZ-CB 4.25Å; R493-H497 WeakPolarHBondContact CG-NE2 3.39Å; R493-H497 PolarHBondContact O-CD2 2.95Å; R493-H497 PolarHBondContact O-N 2.87Å; H497-N499 PolarHBondContact O-N 3.17Å; H497-L500 WeakPolarHBondContact O-CB 3.39Å; H497-L500 PolarHBondContact O-N 3.14Å; H497-C501 WeakPolarHBondContact O-CB 3.09Å; H497-C501 PolarHBondContact O-N 3.44Å; H497-C501 PolarHBondContact O-SG 3.3Å; H497-E545 IonicContact CE1-OE1 3.31Å; H497-E545 PolarHBondContact CE1-OE1 3.17Å; H497-E545 VanDerWaalsContact CE1-OE1 3.31Å; H497-E545 IonicContact CE1-OE2 3.28Å; H497-E545 PolarHBondContact CE1-OE2 3.48Å; H497-E545 VanDerWaalsContact CE1-OE2 3.28Å; H497-E545 IonicContact ND1-OE2 3.19Å; H497-E545 PolarHBondContact ND1-OE2 3.27Å; H497-L698 HydrophobicContact CB-CD1 4.08Å
498	K	88.8	Confident	85.4	Confident	51 Å²	51	37.9 Å²	37.9	22%	0.222	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-48.8	174.4	-174.8	-176.1	81.6	169.2	0	111.2	F483 T494 T495 I496 C501 C502	F483-K498 HydrophobicContact CB-CB 4.42Å; F483-K498 HydrophobicContact CD2-CB 4.37Å; T494-K498 VanDerWaalsContact O-CB 3.23Å; T494-K498 WeakPolarHBondContact O-CB 3Å; T494-K498 PolarHBondContact O-N 3.42Å; T495-K498 WeakPolarHBondContact O-CB 3.47Å; T495-K498 PolarHBondContact O-N 3.04Å; I496-K498 VanDerWaalsContact C-N 3.32Å; I496-K498 PolarHBondContact O-N 3.21Å; K498-C501 PolarHBondContact O-N 3.18Å; K498-C502 WeakPolarHBondContact O-CB 3.42Å; K498-C502 PolarHBondContact O-N 2.81Å; K498-C502 PolarHBondContact O-SG 3.19Å
499	N	90.6	Very high	86.7	Confident	12 Å²	12	34.8 Å²	34.8	6%	0.064	18%	0.176	C	C	.	.	H	α-helix	trans	-68.1	-35	-179.9	-65.9	-43.3	0	0	0	112.3	T495 I496 H497 S503 W541 Y568	T495-N499 PolarHBondContact O-N 3.21Å; T495-N499 VanDerWaalsContact O-N 3.09Å; T495-N499 PolarHBondContact O-ND2 3.39Å; T495-N499 VanDerWaalsContact O-ND2 3.07Å; I496-N499 PolarHBondContact O-N 3.4Å; H497-N499 PolarHBondContact O-N 3.17Å; N499-S503 WeakPolarHBondContact O-CB 3.28Å; N499-S503 PolarHBondContact O-N 3.41Å; N499-S503 PolarHBondContact O-OG 3.2Å; N499-W541 HydrophobicContact CB-CD2 3.62Å; N499-W541 VanDerWaalsContact CB-CE2 3.47Å; N499-W541 HydrophobicContact CB-CE3 4.01Å; N499-W541 HydrophobicContact CB-CG 4.1Å; N499-W541 HydrophobicContact CB-CH2 4.15Å; N499-W541 HydrophobicContact CB-CZ2 3.77Å; N499-W541 HydrophobicContact CB-CZ3 4.25Å; N499-W541 WeakPolarHBondContact ND2-CH2 3.43Å; N499-W541 WeakPolarHBondContact ND2-CZ2 3.28Å; N499-Y568 WeakPolarHBondContact ND2-CE1 3.42Å; N499-Y568 PolarHBondContact ND2-OH 3.37Å; N499-Y568 VanDerWaalsContact ND2-OH 3.14Å
500	L	89.9	Confident	87.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-52.3	171.1	177.3	64.5	0	0	0	111.1	I496 H497 C502 S503 L504 A538 W541	I496-L500 PolarHBondContact O-N 2.88Å; H497-L500 WeakPolarHBondContact O-CB 3.39Å; H497-L500 PolarHBondContact O-N 3.14Å; L500-C502 PolarHBondContact O-N 3.36Å; L500-S503 PolarHBondContact O-N 3.43Å; L500-L504 HydrophobicContact CD1-CD1 4.18Å; L500-L504 HydrophobicContact CG-CD1 4.27Å; L500-L504 PolarHBondContact O-N 2.95Å; L500-A538 HydrophobicContact CD1-CB 4.08Å; L500-A538 WeakPolarHBondContact CD1-O 3.28Å; L500-W541 HydrophobicContact CB-CB 4.21Å; L500-W541 HydrophobicContact CD1-CB 4.36Å
501	C	91.6	Very high	88.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-39.9	179	-66.9	0	0	0	0	112.3	L476 C479 I480 H497 K498 L504 F505	L476-C501 HydrophobicContact CD2-CB 4.24Å; C479-C501 VanDerWaalsContact SG-SG 3.6Å; I480-C501 HydrophobicContact CD1-CB 4.42Å; I480-C501 HydrophobicContact CG1-CB 3.88Å; H497-C501 WeakPolarHBondContact O-CB 3.09Å; H497-C501 PolarHBondContact O-N 3.44Å; H497-C501 PolarHBondContact O-SG 3.3Å; K498-C501 PolarHBondContact O-N 3.18Å; C501-L504 PolarHBondContact O-N 2.76Å; C501-F505 VanDerWaalsContact O-CB 3.22Å; C501-F505 WeakPolarHBondContact O-CB 3.35Å; C501-F505 PolarHBondContact O-N 2.96Å
502	C	93.1	Very high	89.2	Confident	41 Å²	41	29.7 Å²	29.7	28%	0.277	15%	0.146	S	C	.	.	H	α-helix	trans	-63.9	-40.2	175.4	-71.1	0	0	0	0	112.4	K498 L500 M506	K498-C502 WeakPolarHBondContact O-CB 3.42Å; K498-C502 PolarHBondContact O-N 2.81Å; K498-C502 PolarHBondContact O-SG 3.19Å; L500-C502 PolarHBondContact O-N 3.36Å; C502-M506 PolarHBondContact O-N 3.3Å; C502-M506 VanDerWaalsContact O-N 3.1Å
503	S	93.2	Very high	89.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-43.4	178.5	-57.4	0	0	0	0	111.4	N499 L500 M506 A507	N499-S503 WeakPolarHBondContact O-CB 3.28Å; N499-S503 PolarHBondContact O-N 3.41Å; N499-S503 PolarHBondContact O-OG 3.2Å; L500-S503 PolarHBondContact O-N 3.43Å; S503-M506 PolarHBondContact O-N 3.07Å; S503-A507 WeakPolarHBondContact O-CB 3.43Å; S503-A507 PolarHBondContact O-N 2.87Å
504	L	91.8	Very high	89.8	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-67.5	-41.5	176.2	-73.1	173.9	0	0	0	112.8	L476 L500 C501 M506 A507 E508 A538 L661 I694	L476-L504 HydrophobicContact CD1-CB 4.25Å; L500-L504 HydrophobicContact CD1-CD1 4.18Å; L500-L504 HydrophobicContact CG-CD1 4.27Å; L500-L504 PolarHBondContact O-N 2.95Å; C501-L504 PolarHBondContact O-N 2.76Å; L504-M506 VanDerWaalsContact C-N 3.32Å; L504-M506 PolarHBondContact O-N 3.3Å; L504-A507 PolarHBondContact O-N 3.43Å; L504-E508 WeakPolarHBondContact O-CB 3.4Å; L504-E508 WeakPolarHBondContact O-CG 3.2Å; L504-E508 PolarHBondContact O-N 3.39Å; L504-A538 HydrophobicContact CD2-CB 3.58Å; L504-A538 HydrophobicContact CG-CB 3.82Å; L504-L661 HydrophobicContact CD1-CD2 4.27Å; L504-L661 HydrophobicContact CD2-CD2 4.37Å; L504-I694 HydrophobicContact CD1-CD1 3.35Å
505	F	95.1	Very high	89.8	Confident	54 Å²	54	29.5 Å²	29.5	24%	0.237	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-46.5	175.5	176.2	-90.9	0	0	0	111.2	L473 L476 S477 I480 C501 F509	L473-F505 HydrophobicContact CB-CE2 4.31Å; L473-F505 HydrophobicContact CD2-CD2 3.58Å; L473-F505 HydrophobicContact CD2-CE2 3.69Å; L473-F505 HydrophobicContact CD2-CG 4.25Å; L473-F505 HydrophobicContact CD2-CZ 4.45Å; L476-F505 HydrophobicContact CB-CB 4.42Å; L476-F505 HydrophobicContact CB-CD2 4.23Å; L476-F505 HydrophobicContact CD1-CB 4.43Å; S477-F505 WeakPolarHBondContact OG-CE2 3.4Å; I480-F505 HydrophobicContact CD1-CB 4.04Å; I480-F505 HydrophobicContact CD1-CG 4.29Å; C501-F505 VanDerWaalsContact O-CB 3.22Å; C501-F505 WeakPolarHBondContact O-CB 3.35Å; C501-F505 PolarHBondContact O-N 2.96Å; F505-F509 WeakPolarHBondContact O-CB 3.44Å; F505-F509 PolarHBondContact O-N 3.24Å
506	M	94.8	Very high	89.4	Confident	73 Å²	73	34.4 Å²	34.4	36%	0.36	18%	0.175	S	C	.	.	H	α-helix	trans	-66.7	-39.3	178.8	-164.2	59.5	64	0	0	111.8	C502 S503 L504 I510 F534	C502-M506 PolarHBondContact O-N 3.3Å; C502-M506 VanDerWaalsContact O-N 3.1Å; S503-M506 PolarHBondContact O-N 3.07Å; L504-M506 VanDerWaalsContact C-N 3.32Å; L504-M506 PolarHBondContact O-N 3.3Å; M506-I510 HydrophobicContact CG-CD1 3.85Å; M506-I510 WeakPolarHBondContact O-CB 3.39Å; M506-I510 WeakPolarHBondContact O-CD1 3.32Å; M506-I510 WeakPolarHBondContact O-CG1 3.47Å; M506-I510 PolarHBondContact O-N 2.92Å; M506-I510 HydrophobicContact SD-CD1 4.21Å; M506-I510 HydrophobicContact SD-CG1 4.44Å; M506-F534 HydrophobicContact CB-CD1 4.01Å; M506-F534 HydrophobicContact CB-CD2 4.32Å; M506-F534 HydrophobicContact CB-CE1 4.04Å; M506-F534 HydrophobicContact CB-CE2 4.36Å; M506-F534 HydrophobicContact CB-CG 4.18Å; M506-F534 HydrophobicContact CB-CZ 4.23Å; M506-F534 HydrophobicContact CG-CD1 4.09Å; M506-F534 HydrophobicContact CG-CD2 3.82Å; M506-F534 HydrophobicContact CG-CE1 3.75Å; M506-F534 HydrophobicContact CG-CE2 3.46Å; M506-F534 VanDerWaalsContact CG-CE2 3.46Å; M506-F534 HydrophobicContact CG-CG 4.15Å; M506-F534 HydrophobicContact CG-CZ 3.43Å; M506-F534 VanDerWaalsContact CG-CZ 3.43Å
507	A	92.3	Very high	89.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-49.9	175.1	0	0	0	0	0	112.3	S503 L504 F509 I510 F511 L531 F534 F535	S503-A507 WeakPolarHBondContact O-CB 3.43Å; S503-A507 PolarHBondContact O-N 2.87Å; L504-A507 PolarHBondContact O-N 3.43Å; A507-F509 PolarHBondContact O-N 3.47Å; A507-I510 PolarHBondContact O-N 3.3Å; A507-F511 VanDerWaalsContact O-CB 3.29Å; A507-F511 WeakPolarHBondContact O-CB 3.42Å; A507-F511 PolarHBondContact O-N 3.23Å; A507-L531 WeakPolarHBondContact O-CD2 3.38Å; A507-F534 HydrophobicContact CB-CB 3.82Å; A507-F535 HydrophobicContact CB-CD1 3.99Å; A507-F535 HydrophobicContact CB-CD2 4.27Å; A507-F535 HydrophobicContact CB-CE1 3.82Å; A507-F535 HydrophobicContact CB-CE2 4.13Å; A507-F535 HydrophobicContact CB-CG 4.21Å; A507-F535 HydrophobicContact CB-CZ 3.9Å
508	E	91.5	Very high	88.8	Confident	5 Å²	5	40.7 Å²	40.7	2%	0.023	21%	0.208	C	C	.	.	H	α-helix	trans	-65.4	-38.5	179.9	-72.8	179.9	-159.3	0	0	111.9	S472 L473 L504 F511 L512	S472-E508 WeakPolarHBondContact CB-OE2 3.47Å; S472-E508 PolarHBondContact OG-OE1 3.41Å; S472-E508 PolarHBondContact OG-OE2 3.3Å; L473-E508 HydrophobicContact CD2-CB 3.87Å; L473-E508 HydrophobicContact CG-CB 4.41Å; L504-E508 WeakPolarHBondContact O-CB 3.4Å; L504-E508 WeakPolarHBondContact O-CG 3.2Å; L504-E508 PolarHBondContact O-N 3.39Å; E508-F511 PolarHBondContact O-N 3.46Å; E508-L512 WeakPolarHBondContact O-CB 3.11Å; E508-L512 PolarHBondContact O-N 3.01Å
509	F	93	Very high	88.3	Confident	96 Å²	96	42.7 Å²	42.7	42%	0.421	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-47.9	176.2	177.4	-101.4	0	0	0	111.9	L473 F505 A507 F511 L512 V513	L473-F509 HydrophobicContact CD2-CB 4.16Å; F505-F509 WeakPolarHBondContact O-CB 3.44Å; F505-F509 PolarHBondContact O-N 3.24Å; A507-F509 PolarHBondContact O-N 3.47Å; F509-F511 VanDerWaalsContact C-N 3.26Å; F509-F511 PolarHBondContact O-N 3.35Å; F509-L512 PolarHBondContact O-N 3.18Å; F509-V513 HydrophobicContact CD2-CG2 4.43Å; F509-V513 HydrophobicContact CE2-CG2 4.03Å; F509-V513 HydrophobicContact CZ-CG2 4.07Å; F509-V513 PolarHBondContact O-N 2.73Å; F509-V513 VanDerWaalsContact O-N 3.09Å
510	I	92.8	Very high	87.8	Confident	18 Å²	18	48.5 Å²	48.5	9%	0.092	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-35.3	176.9	-66.5	169.6	0	0	0	110.4	M506 A507 G514 I527 M530 L531 F534	M506-I510 HydrophobicContact CG-CD1 3.85Å; M506-I510 WeakPolarHBondContact O-CB 3.39Å; M506-I510 WeakPolarHBondContact O-CD1 3.32Å; M506-I510 WeakPolarHBondContact O-CG1 3.47Å; M506-I510 PolarHBondContact O-N 2.92Å; M506-I510 HydrophobicContact SD-CD1 4.21Å; M506-I510 HydrophobicContact SD-CG1 4.44Å; A507-I510 PolarHBondContact O-N 3.3Å; I510-G514 VanDerWaalsContact O-CA 3.28Å; I510-G514 WeakPolarHBondContact O-CA 3.38Å; I510-G514 PolarHBondContact O-N 3.01Å; I510-I527 HydrophobicContact CG2-CD1 4.05Å; I510-I527 HydrophobicContact CG2-CG2 3.93Å; I510-M530 HydrophobicContact CD1-CB 4.05Å; I510-M530 HydrophobicContact CD1-SD 4.35Å; I510-L531 HydrophobicContact CB-CD2 3.75Å; I510-L531 HydrophobicContact CB-CG 4.38Å; I510-L531 HydrophobicContact CG2-CD1 4.34Å; I510-L531 HydrophobicContact CG2-CD2 3.59Å; I510-L531 HydrophobicContact CG2-CG 3.66Å; I510-F534 HydrophobicContact CD1-CD2 3.71Å; I510-F534 HydrophobicContact CD1-CE2 3.62Å
511	F	89.8	Confident	87.5	Confident	39 Å²	39	55.5 Å²	55.5	17%	0.171	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-45	177.8	-173.7	-82.2	0	0	0	111.2	M469 A507 E508 F509 I515 L531	M469-F511 HydrophobicContact CE-CD1 3.56Å; M469-F511 HydrophobicContact CE-CE1 3.79Å; M469-F511 HydrophobicContact SD-CD1 3.37Å; M469-F511 WeakPolarHBondContact SD-CD1 3.42Å; M469-F511 HydrophobicContact SD-CE1 3.8Å; M469-F511 HydrophobicContact SD-CG 4.34Å; A507-F511 VanDerWaalsContact O-CB 3.29Å; A507-F511 WeakPolarHBondContact O-CB 3.42Å; A507-F511 PolarHBondContact O-N 3.23Å; E508-F511 PolarHBondContact O-N 3.46Å; F509-F511 VanDerWaalsContact C-N 3.26Å; F509-F511 PolarHBondContact O-N 3.35Å; F511-I515 HydrophobicContact CD2-CD1 4.16Å; F511-I515 HydrophobicContact CE1-CD1 3.98Å; F511-I515 HydrophobicContact CE2-CD1 3.53Å; F511-I515 HydrophobicContact CZ-CD1 3.42Å; F511-I515 VanDerWaalsContact CZ-CD1 3.42Å; F511-I515 WeakPolarHBondContact O-CB 3.39Å; F511-I515 WeakPolarHBondContact O-CG2 3.4Å; F511-I515 PolarHBondContact O-N 3.26Å; F511-L531 HydrophobicContact CB-CD2 3.97Å
512	L	88.9	Confident	87.2	Confident	54 Å²	54	62.3 Å²	62.3	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-42.9	179.8	-178.5	65.8	0	0	0	112.7	Q466 M469 I470 L473 E508 F509	Q466-L512 HydrophobicContact CG-CD1 4.49Å; M469-L512 HydrophobicContact CE-CB 4.21Å; M469-L512 HydrophobicContact CE-CD1 3.74Å; I470-L512 HydrophobicContact CG1-CD2 4.15Å; L473-L512 HydrophobicContact CD1-CD2 3.87Å; E508-L512 WeakPolarHBondContact O-CB 3.11Å; E508-L512 PolarHBondContact O-N 3.01Å; F509-L512 PolarHBondContact O-N 3.18Å
513	V	87.9	Confident	86.9	Confident	82 Å²	82	64.7 Å²	64.7	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-85	-36.2	-176.8	178.4	0	0	0	0	112	F509	F509-V513 HydrophobicContact CD2-CG2 4.43Å; F509-V513 HydrophobicContact CE2-CG2 4.03Å; F509-V513 HydrophobicContact CZ-CG2 4.07Å; F509-V513 PolarHBondContact O-N 2.73Å; F509-V513 VanDerWaalsContact O-N 3.09Å
514	G	82.3	Confident	86.6	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-99.6	-19.7	-162.9	0	0	0	0	0	116.6	I510 N516 M517	I510-G514 VanDerWaalsContact O-CA 3.28Å; I510-G514 WeakPolarHBondContact O-CA 3.38Å; I510-G514 PolarHBondContact O-N 3.01Å; G514-N516 VanDerWaalsContact C-N 3.28Å; G514-N516 PolarHBondContact O-N 3.43Å; G514-M517 PolarHBondContact O-N 3.06Å
515	I	79.8	Confident	86.5	Confident	48 Å²	48	66.3 Å²	66.3	25%	0.246	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.6	-169.7	-165.4	159	0	0	0	114.1	F511 V595 C596	F511-I515 HydrophobicContact CD2-CD1 4.16Å; F511-I515 HydrophobicContact CE1-CD1 3.98Å; F511-I515 HydrophobicContact CE2-CD1 3.53Å; F511-I515 HydrophobicContact CZ-CD1 3.42Å; F511-I515 VanDerWaalsContact CZ-CD1 3.42Å; F511-I515 WeakPolarHBondContact O-CB 3.39Å; F511-I515 WeakPolarHBondContact O-CG2 3.4Å; F511-I515 PolarHBondContact O-N 3.26Å; I515-V595 HydrophobicContact CG1-CB 4.19Å; I515-V595 HydrophobicContact CG1-CG1 4.29Å; I515-C596 PolarHBondContact O-N 3.46Å; I515-C596 VanDerWaalsContact O-N 3.15Å
516	N	77.9	Confident	86.3	Confident	127 Å²	127	67.3 Å²	67.3	68%	0.679	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	3.6	-176.2	-157.8	40.3	0	0	0	113.6	G514 N518	G514-N516 VanDerWaalsContact C-N 3.28Å; G514-N516 PolarHBondContact O-N 3.43Å; N516-N518 PolarHBondContact O-N 3.25Å
517	M	80.8	Confident	86.2	Confident	81 Å²	81	64.7 Å²	64.7	40%	0.399	34%	0.336	S	S	.	.			trans	-85.2	61.5	177.6	-70.7	-175.3	71.3	0	0	111.3	G514 F523 C596	G514-M517 PolarHBondContact O-N 3.06Å; M517-F523 HydrophobicContact CB-CD1 3.92Å; M517-F523 HydrophobicContact CB-CE1 3.79Å; M517-F523 HydrophobicContact CE-CD1 3.97Å; M517-F523 HydrophobicContact CE-CE1 3.33Å; M517-F523 HydrophobicContact CE-CZ 3.66Å; M517-F523 HydrophobicContact CG-CE1 4.23Å; M517-F523 HydrophobicContact SD-CD1 4.39Å; M517-F523 HydrophobicContact SD-CE1 3.44Å; M517-F523 WeakPolarHBondContact SD-CE1 3.41Å; M517-F523 HydrophobicContact SD-CZ 3.94Å; M517-C596 PolarHBondContact O-SG 3.39Å; M517-C596 VanDerWaalsContact O-SG 3.4Å
518	N	78.4	Confident	86.1	Confident	71 Å²	71	64.7 Å²	64.7	38%	0.38	34%	0.336	S	S	.	.			trans	-87.9	-1.9	-174.4	61.3	7.8	0	0	0	114.9	N516 H520	N516-N518 PolarHBondContact O-N 3.25Å; N518-H520 VanDerWaalsContact C-N 3.33Å; N518-H520 PolarHBondContact O-N 3.39Å
519	S	77.9	Confident	86.1	Confident	93 Å²	93	65.2 Å²	65.2	65%	0.65	34%	0.343	S	S	*	.	S	Bend	trans	-65.2	-31.9	-176.9	56.4	0	0	0	0	114.1
520	H	81.6	Confident	86.1	Confident	134 Å²	134	64.9 Å²	64.9	62%	0.62	34%	0.344	S	S	*	.			trans	-117.8	111.2	178.6	-66.5	-67.2	0	0	0	110.8	N518 L522 F523 C524	N518-H520 VanDerWaalsContact C-N 3.33Å; N518-H520 PolarHBondContact O-N 3.39Å; H520-L522 VanDerWaalsContact C-N 3.26Å; H520-L522 PolarHBondContact O-N 3.46Å; H520-F523 HydrophobicContact CB-CB 3.93Å; H520-F523 WeakPolarHBondContact O-CB 3.35Å; H520-F523 PolarHBondContact O-N 2.98Å; H520-C524 WeakPolarHBondContact O-CB 3.23Å; H520-C524 PolarHBondContact O-N 3.32Å
521	K	82.8	Confident	86.1	Confident	146 Å²	146	64 Å²	64	64%	0.635	34%	0.339	S	S	*	.	H	α-helix	trans	-54.4	-38.9	-178.8	-171.2	169.4	-174.8	163.4	0	113.7	S525	K521-S525 WeakPolarHBondContact O-CB 3.21Å; K521-S525 PolarHBondContact O-N 2.86Å
522	L	85.3	Confident	86.2	Confident	144 Å²	144	62.2 Å²	62.2	75%	0.754	33%	0.331	S	S	*	.	H	α-helix	trans	-64.3	-45.8	176.9	-175.8	69.1	0	0	0	111.7	H520 S525 V526	H520-L522 VanDerWaalsContact C-N 3.26Å; H520-L522 PolarHBondContact O-N 3.46Å; L522-S525 PolarHBondContact O-N 2.75Å; L522-V526 WeakPolarHBondContact O-CG2 3.45Å; L522-V526 PolarHBondContact O-N 3.36Å; L522-V526 VanDerWaalsContact O-N 3.08Å
523	F	86.8	Confident	86.5	Confident	91 Å²	91	62.3 Å²	62.3	40%	0.399	33%	0.328	S	S	.	.	H	α-helix	trans	-64.5	-45.3	179.6	-170.9	-96.2	0	0	0	111	M517 H520 S525 V526 I527	M517-F523 HydrophobicContact CB-CD1 3.92Å; M517-F523 HydrophobicContact CB-CE1 3.79Å; M517-F523 HydrophobicContact CE-CD1 3.97Å; M517-F523 HydrophobicContact CE-CE1 3.33Å; M517-F523 HydrophobicContact CE-CZ 3.66Å; M517-F523 HydrophobicContact CG-CE1 4.23Å; M517-F523 HydrophobicContact SD-CD1 4.39Å; M517-F523 HydrophobicContact SD-CE1 3.44Å; M517-F523 WeakPolarHBondContact SD-CE1 3.41Å; M517-F523 HydrophobicContact SD-CZ 3.94Å; H520-F523 HydrophobicContact CB-CB 3.93Å; H520-F523 WeakPolarHBondContact O-CB 3.35Å; H520-F523 PolarHBondContact O-N 2.98Å; F523-S525 VanDerWaalsContact C-N 3.31Å; F523-S525 PolarHBondContact O-N 3.44Å; F523-V526 PolarHBondContact O-N 3.44Å; F523-I527 HydrophobicContact CD1-CG1 4Å; F523-I527 HydrophobicContact CE1-CD1 4.05Å; F523-I527 HydrophobicContact CE1-CG1 3.69Å; F523-I527 HydrophobicContact CZ-CD1 4.07Å; F523-I527 HydrophobicContact CZ-CG1 4.15Å; F523-I527 WeakPolarHBondContact O-CG1 3.49Å; F523-I527 PolarHBondContact O-N 3.1Å
524	C	88.1	Confident	86.9	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.027	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-39.6	177.4	-163.8	0	0	0	0	112.6	H520 A528 C596	H520-C524 WeakPolarHBondContact O-CB 3.23Å; H520-C524 PolarHBondContact O-N 3.32Å; C524-A528 WeakPolarHBondContact O-CB 3.43Å; C524-A528 PolarHBondContact O-N 3.28Å; C524-C596 WeakPolarHBondContact CA-SG 3.5Å; C524-C596 HydrophobicContact CB-CB 4.03Å; C524-C596 WeakPolarHBondContact CB-SG 3.11Å; C524-C596 WeakPolarHBondContact SG-CA 3.39Å; C524-C596 WeakPolarHBondContact SG-CB 3.47Å; C524-C596 CovalentContact SG-SG 2.04Å; C524-C596 PolarHBondContact SG-SG 3.05Å
525	S	89.7	Confident	87.3	Confident	32 Å²	32	60.8 Å²	60.8	22%	0.224	32%	0.315	C	S	.	.	H	α-helix	trans	-66.6	-42.5	176.1	-168.1	0	0	0	0	112.6	K521 L522 F523 A528 G529 Y590	K521-S525 WeakPolarHBondContact O-CB 3.21Å; K521-S525 PolarHBondContact O-N 2.86Å; L522-S525 PolarHBondContact O-N 2.75Å; F523-S525 VanDerWaalsContact C-N 3.31Å; F523-S525 PolarHBondContact O-N 3.44Å; S525-A528 PolarHBondContact O-N 3.01Å; S525-G529 PolarHBondContact O-N 3.48Å; S525-Y590 WeakPolarHBondContact CA-O 3.32Å; S525-Y590 VanDerWaalsContact CB-O 3.3Å; S525-Y590 WeakPolarHBondContact CB-O 3.07Å; S525-Y590 VanDerWaalsContact OG-CB 3.27Å; S525-Y590 WeakPolarHBondContact OG-CB 3.37Å; S525-Y590 PolarHBondContact OG-O 2.98Å
526	V	90.6	Very high	87.9	Confident	74 Å²	74	58.8 Å²	58.8	45%	0.448	30%	0.304	S	S	.	.	H	α-helix	trans	-64	-45	176.2	171.7	0	0	0	0	111.3	L522 F523 A528 G529 M530	L522-V526 WeakPolarHBondContact O-CG2 3.45Å; L522-V526 PolarHBondContact O-N 3.36Å; L522-V526 VanDerWaalsContact O-N 3.08Å; F523-V526 PolarHBondContact O-N 3.44Å; V526-A528 PolarHBondContact O-N 3.24Å; V526-G529 PolarHBondContact O-N 3.14Å; V526-M530 HydrophobicContact CG1-CE 3.87Å; V526-M530 HydrophobicContact CG1-CG 4.45Å; V526-M530 HydrophobicContact CG1-SD 4.34Å; V526-M530 WeakPolarHBondContact O-CG 3.44Å; V526-M530 PolarHBondContact O-N 3.5Å
527	I	91.7	Very high	88.7	Confident	18 Å²	18	52.7 Å²	52.7	9%	0.092	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-47	176.4	-68.2	-66.2	0	0	0	110.7	I510 F523 G529 M530 L531 C596	I510-I527 HydrophobicContact CG2-CD1 4.05Å; I510-I527 HydrophobicContact CG2-CG2 3.93Å; F523-I527 HydrophobicContact CD1-CG1 4Å; F523-I527 HydrophobicContact CE1-CD1 4.05Å; F523-I527 HydrophobicContact CE1-CG1 3.69Å; F523-I527 HydrophobicContact CZ-CD1 4.07Å; F523-I527 HydrophobicContact CZ-CG1 4.15Å; F523-I527 WeakPolarHBondContact O-CG1 3.49Å; F523-I527 PolarHBondContact O-N 3.1Å; I527-G529 VanDerWaalsContact C-N 3.3Å; I527-G529 PolarHBondContact O-N 3.17Å; I527-M530 PolarHBondContact O-N 2.91Å; I527-L531 HydrophobicContact CG2-CD1 3.99Å; I527-L531 HydrophobicContact CG2-CG 4.48Å; I527-L531 WeakPolarHBondContact O-CG 3.29Å; I527-L531 PolarHBondContact O-N 3.33Å; I527-C596 HydrophobicContact CB-CB 4.48Å; I527-C596 HydrophobicContact CG2-CB 4.2Å
528	A	90.3	Very high	89.2	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-40.1	176.4	0	0	0	0	0	112.1	C524 S525 V526 H532 Y590	C524-A528 WeakPolarHBondContact O-CB 3.43Å; C524-A528 PolarHBondContact O-N 3.28Å; S525-A528 PolarHBondContact O-N 3.01Å; V526-A528 PolarHBondContact O-N 3.24Å; A528-H532 WeakPolarHBondContact O-CB 3.43Å; A528-H532 PolarHBondContact O-N 3.32Å; A528-Y590 HydrophobicContact CB-CD1 3.99Å
529	G	92.3	Very high	89.7	Confident	16 Å²	16	45.7 Å²	45.7	17%	0.165	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-44.2	175.5	0	0	0	0	0	113.6	S525 V526 I527 H532 Y533	S525-G529 PolarHBondContact O-N 3.48Å; V526-G529 PolarHBondContact O-N 3.14Å; I527-G529 VanDerWaalsContact C-N 3.3Å; I527-G529 PolarHBondContact O-N 3.17Å; G529-H532 WeakPolarHBondContact O-CB 3.46Å; G529-H532 PolarHBondContact O-N 3.44Å; G529-Y533 PolarHBondContact O-N 3.02Å
530	M	93.3	Very high	90.3	Very high	90 Å²	90	41.3 Å²	41.3	44%	0.443	21%	0.206	S	C	.	.	H	α-helix	trans	-63.2	-43.5	176.3	-72.7	-175	175.3	0	0	111.4	I510 V526 I527 Y533 F534	I510-M530 HydrophobicContact CD1-CB 4.05Å; I510-M530 HydrophobicContact CD1-SD 4.35Å; V526-M530 HydrophobicContact CG1-CE 3.87Å; V526-M530 HydrophobicContact CG1-CG 4.45Å; V526-M530 HydrophobicContact CG1-SD 4.34Å; V526-M530 WeakPolarHBondContact O-CG 3.44Å; V526-M530 PolarHBondContact O-N 3.5Å; I527-M530 PolarHBondContact O-N 2.91Å; M530-Y533 PolarHBondContact O-N 3.34Å; M530-F534 HydrophobicContact CB-CD2 4.44Å; M530-F534 HydrophobicContact CB-CE2 4.37Å; M530-F534 WeakPolarHBondContact O-CD2 3.31Å; M530-F534 PolarHBondContact O-N 3.38Å
531	L	91.9	Very high	90.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-44.1	176.8	-69.1	169	0	0	0	112	A507 I510 F511 I527 Y533 F534 F535 W597	A507-L531 WeakPolarHBondContact O-CD2 3.38Å; I510-L531 HydrophobicContact CB-CD2 3.75Å; I510-L531 HydrophobicContact CB-CG 4.38Å; I510-L531 HydrophobicContact CG2-CD1 4.34Å; I510-L531 HydrophobicContact CG2-CD2 3.59Å; I510-L531 HydrophobicContact CG2-CG 3.66Å; F511-L531 HydrophobicContact CB-CD2 3.97Å; I527-L531 HydrophobicContact CG2-CD1 3.99Å; I527-L531 HydrophobicContact CG2-CG 4.48Å; I527-L531 WeakPolarHBondContact O-CG 3.29Å; I527-L531 PolarHBondContact O-N 3.33Å; L531-Y533 VanDerWaalsContact C-N 3.25Å; L531-Y533 PolarHBondContact O-N 3.43Å; L531-F534 PolarHBondContact O-N 3.46Å; L531-F535 HydrophobicContact CB-CD2 4.37Å; L531-F535 HydrophobicContact CB-CE2 4.44Å; L531-F535 HydrophobicContact CD2-CE2 4.14Å; L531-F535 VanDerWaalsContact O-CD2 3.23Å; L531-F535 WeakPolarHBondContact O-CD2 3.17Å; L531-F535 PolarHBondContact O-N 2.94Å; L531-W597 HydrophobicContact CB-CE3 4.1Å; L531-W597 HydrophobicContact CB-CH2 4.31Å; L531-W597 HydrophobicContact CB-CZ3 3.43Å; L531-W597 VanDerWaalsContact CB-CZ3 3.43Å; L531-W597 HydrophobicContact CD1-CE3 3.81Å; L531-W597 HydrophobicContact CD1-CZ3 3.85Å; L531-W597 HydrophobicContact CG-CZ3 4.19Å
532	H	92.8	Very high	91	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-53.5	-45.8	175.1	-169.5	-173.3	0	0	0	111.1	A528 G529 L536 V579 Y590 L598 S607 F608	A528-H532 WeakPolarHBondContact O-CB 3.43Å; A528-H532 PolarHBondContact O-N 3.32Å; G529-H532 WeakPolarHBondContact O-CB 3.46Å; G529-H532 PolarHBondContact O-N 3.44Å; H532-L536 WeakPolarHBondContact NE2-CD1 3.46Å; H532-L536 WeakPolarHBondContact O-CB 3.24Å; H532-L536 WeakPolarHBondContact O-CG 3.27Å; H532-L536 PolarHBondContact O-N 3.4Å; H532-V579 HydrophobicContact CB-CG2 4.26Å; H532-Y590 HydrophobicContact CB-CE1 4.18Å; H532-Y590 AromaticContact ND1-CE1 3.66Å; H532-Y590 AromaticContact ND1-CZ 3.66Å; H532-Y590 PolarHBondContact ND1-OH 3.47Å; H532-L598 HydrophobicContact CB-CD1 4.03Å; H532-S607 PolarHBondContact CE1-OG 3.4Å; H532-F608 AromaticContact CD2-CD2 3.65Å
533	Y	95.4	Very high	91	Very high	57 Å²	57	22 Å²	22	22%	0.224	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-52.4	178.7	174.2	-102.8	0	0	0	113.1	G529 M530 L531 F535 L536 A537 Y572 P575 A576	G529-Y533 PolarHBondContact O-N 3.02Å; M530-Y533 PolarHBondContact O-N 3.34Å; L531-Y533 VanDerWaalsContact C-N 3.25Å; L531-Y533 PolarHBondContact O-N 3.43Å; Y533-F535 PolarHBondContact O-N 2.63Å; Y533-L536 PolarHBondContact O-N 3.26Å; Y533-A537 WeakPolarHBondContact O-CB 3.43Å; Y533-A537 PolarHBondContact O-N 3.04Å; Y533-Y572 WeakPolarHBondContact OH-CD1 3.32Å; Y533-P575 HydrophobicContact CD2-CB 3.88Å; Y533-P575 HydrophobicContact CE2-CB 3.94Å; Y533-A576 HydrophobicContact CD2-CB 4.48Å; Y533-A576 HydrophobicContact CE2-CB 3.93Å
534	F	95.4	Very high	91.1	Very high	44 Å²	44	17.8 Å²	17.8	19%	0.193	10%	0.097	C	C	.	.	H	α-helix	trans	-68.1	-35.5	-174.4	-73.7	-64.1	0	0	0	113.1	M506 A507 I510 M530 L531 A537 A538	M506-F534 HydrophobicContact CB-CD1 4.01Å; M506-F534 HydrophobicContact CB-CD2 4.32Å; M506-F534 HydrophobicContact CB-CE1 4.04Å; M506-F534 HydrophobicContact CB-CE2 4.36Å; M506-F534 HydrophobicContact CB-CG 4.18Å; M506-F534 HydrophobicContact CB-CZ 4.23Å; M506-F534 HydrophobicContact CG-CD1 4.09Å; M506-F534 HydrophobicContact CG-CD2 3.82Å; M506-F534 HydrophobicContact CG-CE1 3.75Å; M506-F534 HydrophobicContact CG-CE2 3.46Å; M506-F534 VanDerWaalsContact CG-CE2 3.46Å; M506-F534 HydrophobicContact CG-CG 4.15Å; M506-F534 HydrophobicContact CG-CZ 3.43Å; M506-F534 VanDerWaalsContact CG-CZ 3.43Å; A507-F534 HydrophobicContact CB-CB 3.82Å; I510-F534 HydrophobicContact CD1-CD2 3.71Å; I510-F534 HydrophobicContact CD1-CE2 3.62Å; M530-F534 HydrophobicContact CB-CD2 4.44Å; M530-F534 HydrophobicContact CB-CE2 4.37Å; M530-F534 WeakPolarHBondContact O-CD2 3.31Å; M530-F534 PolarHBondContact O-N 3.38Å; L531-F534 PolarHBondContact O-N 3.46Å; F534-A537 PolarHBondContact O-N 3.02Å; F534-A538 PolarHBondContact O-N 3.01Å
535	F	91.6	Very high	90.9	Very high	7 Å²	7	18.2 Å²	18.2	3%	0.031	10%	0.098	C	C	.	.	H	α-helix	trans	-66.6	-42.8	173.5	-78.2	-60.7	0	0	0	112.1	A507 L531 Y533 A537 A538 F539 W597 F608 W665	A507-F535 HydrophobicContact CB-CD1 3.99Å; A507-F535 HydrophobicContact CB-CD2 4.27Å; A507-F535 HydrophobicContact CB-CE1 3.82Å; A507-F535 HydrophobicContact CB-CE2 4.13Å; A507-F535 HydrophobicContact CB-CG 4.21Å; A507-F535 HydrophobicContact CB-CZ 3.9Å; L531-F535 HydrophobicContact CB-CD2 4.37Å; L531-F535 HydrophobicContact CB-CE2 4.44Å; L531-F535 HydrophobicContact CD2-CE2 4.14Å; L531-F535 VanDerWaalsContact O-CD2 3.23Å; L531-F535 WeakPolarHBondContact O-CD2 3.17Å; L531-F535 PolarHBondContact O-N 2.94Å; Y533-F535 PolarHBondContact O-N 2.63Å; F535-A537 VanDerWaalsContact C-N 3.34Å; F535-A537 PolarHBondContact O-N 3.41Å; F535-A538 WeakPolarHBondContact O-CB 3.35Å; F535-A538 PolarHBondContact O-N 3.4Å; F535-F539 WeakPolarHBondContact O-CD2 3.2Å; F535-F539 PolarHBondContact O-N 2.97Å; F535-W597 AromaticContact CD2-CH2 3.72Å; F535-W597 HydrophobicContact CD2-CH2 3.72Å; F535-W597 HydrophobicContact CD2-CZ3 4.04Å; F535-W597 HydrophobicContact CE2-CH2 4.01Å; F535-W597 AromaticContact CE2-CZ3 3.99Å; F535-W597 HydrophobicContact CE2-CZ3 3.99Å; F535-F608 HydrophobicContact CB-CE2 3.79Å; F535-F608 HydrophobicContact CB-CZ 4.19Å; F535-W665 AromaticContact CD1-CZ2 3.77Å; F535-W665 HydrophobicContact CD1-CZ2 3.77Å; F535-W665 HydrophobicContact CE1-CZ2 4.05Å; F535-W665 HydrophobicContact CG-CZ2 4.06Å
536	L	91.3	Very high	90.6	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.026	9%	0.088	C	C	.	.	H	α-helix	trans	-65	-36.5	174.2	-75.8	178.4	0	0	0	112.5	H532 Y533 A538 F539 A540 P575 V578 V579 F608 P611	H532-L536 WeakPolarHBondContact NE2-CD1 3.46Å; H532-L536 WeakPolarHBondContact O-CB 3.24Å; H532-L536 WeakPolarHBondContact O-CG 3.27Å; H532-L536 PolarHBondContact O-N 3.4Å; Y533-L536 PolarHBondContact O-N 3.26Å; L536-A538 VanDerWaalsContact C-N 3.34Å; L536-F539 PolarHBondContact O-N 3.3Å; L536-A540 PolarHBondContact O-N 3.36Å; L536-P575 HydrophobicContact CB-CB 3.76Å; L536-P575 HydrophobicContact CB-CG 4.26Å; L536-V578 HydrophobicContact CD1-CB 4.16Å; L536-V578 HydrophobicContact CD1-CG1 3.78Å; L536-V579 HydrophobicContact CD1-CG2 4.21Å; L536-F608 HydrophobicContact CD2-CD2 3.8Å; L536-F608 HydrophobicContact CD2-CE2 4.01Å; L536-F608 HydrophobicContact CG-CD2 3.84Å; L536-F608 HydrophobicContact CG-CE2 4.1Å; L536-P611 HydrophobicContact CD2-CB 4.17Å
537	A	93.8	Very high	90.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.7	-40.2	173.8	0	0	0	0	0	112	Y533 F534 F535 F539 A540 W541 Y572 P575	Y533-A537 WeakPolarHBondContact O-CB 3.43Å; Y533-A537 PolarHBondContact O-N 3.04Å; F534-A537 PolarHBondContact O-N 3.02Å; F535-A537 VanDerWaalsContact C-N 3.34Å; F535-A537 PolarHBondContact O-N 3.41Å; A537-F539 VanDerWaalsContact C-N 3.34Å; A537-F539 PolarHBondContact O-N 3.45Å; A537-A540 PolarHBondContact O-N 3.33Å; A537-W541 PolarHBondContact O-N 2.93Å; A537-Y572 HydrophobicContact CB-CD1 4.18Å; A537-Y572 HydrophobicContact CB-CE1 4.33Å; A537-P575 VanDerWaalsContact CA-CG 3.49Å; A537-P575 HydrophobicContact CB-CB 4.41Å; A537-P575 HydrophobicContact CB-CG 3.97Å
538	A	91.3	Very high	89.7	Confident	2 Å²	2	15.9 Å²	15.9	2%	0.017	8%	0.08	C	C	.	.	H	α-helix	trans	-59.5	-44.1	173.4	0	0	0	0	0	111.8	L500 L504 F534 F535 L536 W541 M542	L500-A538 HydrophobicContact CD1-CB 4.08Å; L500-A538 WeakPolarHBondContact CD1-O 3.28Å; L504-A538 HydrophobicContact CD2-CB 3.58Å; L504-A538 HydrophobicContact CG-CB 3.82Å; F534-A538 PolarHBondContact O-N 3.01Å; F535-A538 WeakPolarHBondContact O-CB 3.35Å; F535-A538 PolarHBondContact O-N 3.4Å; L536-A538 VanDerWaalsContact C-N 3.34Å; A538-W541 PolarHBondContact O-N 2.97Å; A538-M542 PolarHBondContact O-N 3.28Å
539	F	89	Confident	89	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.009	8%	0.081	C	C	.	.	H	α-helix	trans	-64	-40.9	174.5	-75.2	-65.2	0	0	0	113.3	F535 L536 A537 M542 C543 F608 A612 I615 I616 W665	F535-F539 WeakPolarHBondContact O-CD2 3.2Å; F535-F539 PolarHBondContact O-N 2.97Å; L536-F539 PolarHBondContact O-N 3.3Å; A537-F539 VanDerWaalsContact C-N 3.34Å; A537-F539 PolarHBondContact O-N 3.45Å; F539-M542 WeakPolarHBondContact O-CB 3.35Å; F539-M542 PolarHBondContact O-N 3.38Å; F539-C543 PolarHBondContact O-N 2.95Å; F539-F608 HydrophobicContact CE2-CE2 4.28Å; F539-F608 AromaticContact CE2-CZ 3.9Å; F539-F608 HydrophobicContact CE2-CZ 3.9Å; F539-A612 HydrophobicContact CD2-CB 4.07Å; F539-A612 HydrophobicContact CE2-CB 3.81Å; F539-A612 HydrophobicContact CZ-CB 4.05Å; F539-I615 HydrophobicContact CB-CD1 3.97Å; F539-I615 HydrophobicContact CB-CG2 4.22Å; F539-I615 WeakPolarHBondContact O-CG2 3.11Å; F539-I616 HydrophobicContact CD1-CG1 4.49Å; F539-I616 HydrophobicContact CE1-CD1 3.97Å; F539-I616 HydrophobicContact CE1-CG1 4.14Å; F539-W665 HydrophobicContact CE1-CG 4.4Å; F539-W665 HydrophobicContact CE2-CD2 4.29Å; F539-W665 HydrophobicContact CE2-CG 4.33Å; F539-W665 AromaticContact CE2-NE1 3.95Å; F539-W665 HydrophobicContact CZ-CB 4.14Å; F539-W665 AromaticContact CZ-CD1 3.31Å; F539-W665 AromaticContact CZ-CD2 3.92Å; F539-W665 HydrophobicContact CZ-CD2 3.92Å; F539-W665 AromaticContact CZ-CE2 3.91Å; F539-W665 AromaticContact CZ-CG 3.51Å; F539-W665 HydrophobicContact CZ-CG 3.51Å; F539-W665 AromaticContact CZ-NE1 3.52Å
540	A	91.1	Very high	88.4	Confident	2 Å²	2	19.6 Å²	19.6	2%	0.017	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-42.7	177.5	0	0	0	0	0	111.7	L536 A537 C543 I544 G571 P575	L536-A540 PolarHBondContact O-N 3.36Å; A537-A540 PolarHBondContact O-N 3.33Å; A540-C543 WeakPolarHBondContact O-CB 3.17Å; A540-C543 PolarHBondContact O-N 2.99Å; A540-C543 VanDerWaalsContact O-N 3.17Å; A540-I544 WeakPolarHBondContact O-CG1 3.41Å; A540-I544 PolarHBondContact O-N 2.97Å; A540-G571 WeakPolarHBondContact CB-O 3.34Å; A540-P575 HydrophobicContact CB-CG 4.05Å
541	W	91.6	Very high	87.7	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-65.8	-36	175.2	-79.6	111.4	0	0	0	113	I496 N499 L500 A537 A538 I544 E545 F567 Y568 Y572	I496-W541 HydrophobicContact CG1-CE3 4.43Å; I496-W541 HydrophobicContact CG1-CZ3 4.23Å; I496-W541 HydrophobicContact CG2-CE3 4.23Å; N499-W541 HydrophobicContact CB-CD2 3.62Å; N499-W541 VanDerWaalsContact CB-CE2 3.47Å; N499-W541 HydrophobicContact CB-CE3 4.01Å; N499-W541 HydrophobicContact CB-CG 4.1Å; N499-W541 HydrophobicContact CB-CH2 4.15Å; N499-W541 HydrophobicContact CB-CZ2 3.77Å; N499-W541 HydrophobicContact CB-CZ3 4.25Å; N499-W541 WeakPolarHBondContact ND2-CH2 3.43Å; N499-W541 WeakPolarHBondContact ND2-CZ2 3.28Å; L500-W541 HydrophobicContact CB-CB 4.21Å; L500-W541 HydrophobicContact CD1-CB 4.36Å; A537-W541 PolarHBondContact O-N 2.93Å; A538-W541 PolarHBondContact O-N 2.97Å; W541-I544 HydrophobicContact CD2-CD1 4.2Å; W541-I544 HydrophobicContact CE3-CB 4.48Å; W541-I544 HydrophobicContact CE3-CD1 3.76Å; W541-I544 HydrophobicContact CE3-CG2 4.46Å; W541-I544 HydrophobicContact CZ3-CD1 3.95Å; W541-I544 PolarHBondContact O-N 2.69Å; W541-E545 PolarHBondContact O-N 2.9Å; W541-F567 HydrophobicContact CZ3-CB 4.34Å; W541-Y568 AromaticContact CH2-CD1 3.98Å; W541-Y568 HydrophobicContact CH2-CD1 3.98Å; W541-Y568 HydrophobicContact CH2-CD2 4.23Å; W541-Y568 HydrophobicContact CH2-CE1 4.1Å; W541-Y568 HydrophobicContact CH2-CE2 4.31Å; W541-Y568 HydrophobicContact CH2-CG 4.07Å; W541-Y568 AromaticContact CZ2-CD1 3.98Å; W541-Y568 HydrophobicContact CZ2-CD1 3.98Å; W541-Y568 HydrophobicContact CZ2-CE1 4.21Å; W541-Y568 HydrophobicContact CZ2-CG 4.4Å; W541-Y572 AromaticContact CE2-CE2 3.77Å; W541-Y572 AromaticContact CE2-CZ 3.97Å; W541-Y572 AromaticContact CZ2-CD2 3.79Å; W541-Y572 HydrophobicContact CZ2-CD2 3.79Å; W541-Y572 AromaticContact CZ2-CE2 3.47Å; W541-Y572 HydrophobicContact CZ2-CE2 3.47Å; W541-Y572 VanDerWaalsContact CZ2-CE2 3.47Å; W541-Y572 AromaticContact NE1-CD1 3.89Å; W541-Y572 AromaticContact NE1-CD2 3.9Å; W541-Y572 AromaticContact NE1-CE1 3.47Å; W541-Y572 AromaticContact NE1-CE2 3.5Å; W541-Y572 AromaticContact NE1-CZ 3.27Å; W541-Y572 VanDerWaalsContact NE1-CZ 3.27Å
542	M	87.1	Confident	86.9	Confident	7 Å²	7	20 Å²	20	3%	0.034	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-41.7	169.5	-179.4	-169	-71.7	0	0	112.2	A538 F539 I544 E545 G546 L658 L661	A538-M542 PolarHBondContact O-N 3.28Å; F539-M542 WeakPolarHBondContact O-CB 3.35Å; F539-M542 PolarHBondContact O-N 3.38Å; M542-I544 VanDerWaalsContact C-N 3.31Å; M542-I544 PolarHBondContact O-N 3.08Å; M542-E545 WeakPolarHBondContact O-CA 3.34Å; M542-E545 VanDerWaalsContact O-CB 3.28Å; M542-E545 WeakPolarHBondContact O-CB 3.16Å; M542-E545 PolarHBondContact O-N 3.25Å; M542-E545 VanDerWaalsContact O-N 3.1Å; M542-G546 PolarHBondContact O-N 3.33Å; M542-L658 HydrophobicContact SD-CD1 4.26Å; M542-L661 HydrophobicContact CE-CB 3.14Å; M542-L661 HydrophobicContact CE-CD1 3.54Å; M542-L661 HydrophobicContact CE-CD2 3.41Å; M542-L661 VanDerWaalsContact CE-CD2 3.41Å; M542-L661 HydrophobicContact CE-CG 3.49Å; M542-L661 VanDerWaalsContact CE-CG 3.49Å; M542-L661 HydrophobicContact SD-CB 4.49Å
543	C	86.5	Confident	85.9	Confident	9 Å²	9	21.4 Å²	21.4	6%	0.061	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-43	177.5	-164.9	0	0	0	0	111.8	F539 A540 E545 G546 I547 I615 N619	F539-C543 PolarHBondContact O-N 2.95Å; A540-C543 WeakPolarHBondContact O-CB 3.17Å; A540-C543 PolarHBondContact O-N 2.99Å; A540-C543 VanDerWaalsContact O-N 3.17Å; C543-E545 VanDerWaalsContact C-N 3.27Å; C543-E545 PolarHBondContact O-N 3.31Å; C543-G546 PolarHBondContact O-N 3.3Å; C543-I547 WeakPolarHBondContact O-CG1 3.35Å; C543-I547 PolarHBondContact O-N 3.09Å; C543-I615 HydrophobicContact CB-CG2 3.75Å; C543-N619 VanDerWaalsContact CA-OD1 3.28Å; C543-N619 WeakPolarHBondContact CA-OD1 3.18Å; C543-N619 PolarHBondContact SG-OD1 2.95Å; C543-N619 VanDerWaalsContact SG-OD1 3.35Å
544	I	88.2	Confident	84.9	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-58.2	-41	172.5	-68.4	164.5	0	0	0	110.8	I496 A540 W541 M542 I547 H548 F567 F570	I496-I544 HydrophobicContact CD1-CG2 3.89Å; I496-I544 HydrophobicContact CG1-CG2 4.04Å; A540-I544 WeakPolarHBondContact O-CG1 3.41Å; A540-I544 PolarHBondContact O-N 2.97Å; W541-I544 HydrophobicContact CD2-CD1 4.2Å; W541-I544 HydrophobicContact CE3-CB 4.48Å; W541-I544 HydrophobicContact CE3-CD1 3.76Å; W541-I544 HydrophobicContact CE3-CG2 4.46Å; W541-I544 HydrophobicContact CZ3-CD1 3.95Å; W541-I544 PolarHBondContact O-N 2.69Å; M542-I544 VanDerWaalsContact C-N 3.31Å; M542-I544 PolarHBondContact O-N 3.08Å; I544-I547 PolarHBondContact O-N 2.9Å; I544-H548 WeakPolarHBondContact O-CB 3.45Å; I544-H548 PolarHBondContact O-N 2.7Å; I544-F567 HydrophobicContact CD1-CB 4.32Å; I544-F567 VanDerWaalsContact CD1-O 3.32Å; I544-F567 WeakPolarHBondContact CD1-O 3.49Å; I544-F567 HydrophobicContact CG1-CD1 4.37Å; I544-F567 HydrophobicContact CG2-CB 4.2Å; I544-F567 HydrophobicContact CG2-CD1 3.61Å; I544-F567 HydrophobicContact CG2-CD2 4.04Å; I544-F567 HydrophobicContact CG2-CE1 3.81Å; I544-F567 HydrophobicContact CG2-CE2 4.22Å; I544-F567 HydrophobicContact CG2-CG 3.71Å; I544-F567 HydrophobicContact CG2-CZ 4.08Å; I544-F570 HydrophobicContact CD1-CD1 3.92Å; I544-F570 HydrophobicContact CG1-CD1 3.73Å; I544-F570 HydrophobicContact CG1-CE1 4.29Å
545	E	84.3	Confident	83.4	Confident	13 Å²	13	21.4 Å²	21.4	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-60.1	-46.7	175.3	-169	-171.9	146.5	0	0	112.1	I496 H497 W541 M542 C543 H548 L549 L657	I496-E545 HydrophobicContact CG2-CB 3.88Å; I496-E545 HydrophobicContact CG2-CG 4.4Å; H497-E545 IonicContact CE1-OE1 3.31Å; H497-E545 PolarHBondContact CE1-OE1 3.17Å; H497-E545 VanDerWaalsContact CE1-OE1 3.31Å; H497-E545 IonicContact CE1-OE2 3.28Å; H497-E545 PolarHBondContact CE1-OE2 3.48Å; H497-E545 VanDerWaalsContact CE1-OE2 3.28Å; H497-E545 IonicContact ND1-OE2 3.19Å; H497-E545 PolarHBondContact ND1-OE2 3.27Å; W541-E545 PolarHBondContact O-N 2.9Å; M542-E545 WeakPolarHBondContact O-CA 3.34Å; M542-E545 VanDerWaalsContact O-CB 3.28Å; M542-E545 WeakPolarHBondContact O-CB 3.16Å; M542-E545 PolarHBondContact O-N 3.25Å; M542-E545 VanDerWaalsContact O-N 3.1Å; C543-E545 VanDerWaalsContact C-N 3.27Å; C543-E545 PolarHBondContact O-N 3.31Å; E545-H548 PolarHBondContact O-N 3.14Å; E545-L549 WeakPolarHBondContact O-CB 3.11Å; E545-L549 PolarHBondContact O-N 3.48Å; E545-L657 WeakPolarHBondContact OE1-CD1 3.48Å
546	G	82.6	Confident	82.3	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-46.3	176.8	0	0	0	0	0	112.6	M542 C543 L549 Y550	M542-G546 PolarHBondContact O-N 3.33Å; C543-G546 PolarHBondContact O-N 3.3Å; G546-L549 PolarHBondContact O-N 3.46Å; G546-Y550 WeakPolarHBondContact O-CB 3.35Å; G546-Y550 PolarHBondContact O-N 2.87Å
547	I	82.8	Confident	80.7	Confident	64 Å²	64	33 Å²	33	33%	0.328	19%	0.186	S	C	.	.	H	α-helix	trans	-65.6	-42.6	176.8	-66.1	167.3	0	0	0	111	C543 I544 L549 Y550 L551	C543-I547 WeakPolarHBondContact O-CG1 3.35Å; C543-I547 PolarHBondContact O-N 3.09Å; I544-I547 PolarHBondContact O-N 2.9Å; I547-L549 VanDerWaalsContact C-N 3.35Å; I547-L549 PolarHBondContact O-N 3.38Å; I547-Y550 WeakPolarHBondContact O-CB 3.47Å; I547-Y550 PolarHBondContact O-N 3.19Å; I547-L551 HydrophobicContact CG2-CD1 4.09Å; I547-L551 HydrophobicContact CG2-CG 4.38Å; I547-L551 WeakPolarHBondContact O-CG 3.46Å; I547-L551 PolarHBondContact O-N 2.93Å
548	H	80.9	Confident	79.3	Confident	11 Å²	11	36.5 Å²	36.5	5%	0.051	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-41.7	178.5	177	-105.2	0	0	0	111.4	I496 I544 E545 L551 I552 F567	I496-H548 HydrophobicContact CD1-CB 3.99Å; I544-H548 WeakPolarHBondContact O-CB 3.45Å; I544-H548 PolarHBondContact O-N 2.7Å; E545-H548 PolarHBondContact O-N 3.14Å; H548-L551 PolarHBondContact O-N 3.39Å; H548-I552 VanDerWaalsContact CE1-CD1 3.47Å; H548-I552 WeakPolarHBondContact CE1-CD1 3.25Å; H548-I552 WeakPolarHBondContact O-CG1 3.21Å; H548-I552 PolarHBondContact O-N 2.94Å; H548-F567 HydrophobicContact CB-CZ 4.33Å
549	L	76.8	Confident	78.2	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-42.7	173.2	-177.3	60.8	0	0	0	111.8	E545 G546 I547 L551 I552 V553 F623 I626 A654	E545-L549 WeakPolarHBondContact O-CB 3.11Å; E545-L549 PolarHBondContact O-N 3.48Å; G546-L549 PolarHBondContact O-N 3.46Å; I547-L549 VanDerWaalsContact C-N 3.35Å; I547-L549 PolarHBondContact O-N 3.38Å; L549-L551 PolarHBondContact O-N 2.92Å; L549-I552 PolarHBondContact O-N 3.02Å; L549-V553 HydrophobicContact CD1-CG2 4.38Å; L549-V553 WeakPolarHBondContact O-CG2 3.42Å; L549-V553 PolarHBondContact O-N 3.49Å; L549-V553 VanDerWaalsContact O-N 3.09Å; L549-F623 HydrophobicContact CD2-CD1 4.42Å; L549-F623 HydrophobicContact CD2-CE1 3.75Å; L549-I626 HydrophobicContact CB-CD1 4.22Å; L549-I626 HydrophobicContact CD2-CD1 3.99Å; L549-I626 HydrophobicContact CG-CD1 3.87Å; L549-A654 HydrophobicContact CD2-CB 3.73Å
550	Y	79.4	Confident	77.1	Confident	89 Å²	89	49.9 Å²	49.9	35%	0.349	26%	0.264	S	S	.	.	H	α-helix	trans	-58.4	-47.1	176.4	172.9	-96.3	0	0	0	112	G546 I547 I552 V553 V554 V625 I626	G546-Y550 WeakPolarHBondContact O-CB 3.35Å; G546-Y550 PolarHBondContact O-N 2.87Å; I547-Y550 WeakPolarHBondContact O-CB 3.47Å; I547-Y550 PolarHBondContact O-N 3.19Å; Y550-I552 VanDerWaalsContact C-N 3.35Å; Y550-I552 PolarHBondContact O-N 3.41Å; Y550-V553 PolarHBondContact O-N 2.99Å; Y550-V554 HydrophobicContact CD1-CG2 4.38Å; Y550-V554 HydrophobicContact CD2-CG2 4.03Å; Y550-V554 HydrophobicContact CE1-CG2 4.02Å; Y550-V554 HydrophobicContact CE2-CG2 3.65Å; Y550-V554 HydrophobicContact CG-CG2 4.38Å; Y550-V554 WeakPolarHBondContact O-CG2 3.41Å; Y550-V554 PolarHBondContact O-N 3.31Å; Y550-V625 HydrophobicContact CD2-CG1 4.46Å; Y550-V625 HydrophobicContact CE2-CB 4.47Å; Y550-V625 HydrophobicContact CE2-CG1 3.84Å; Y550-I626 HydrophobicContact CD2-CG1 4.3Å
551	L	78.3	Confident	75.9	Confident	39 Å²	39	52.4 Å²	52.4	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-38.4	179.6	-70	173.3	0	0	0	112.7	I547 H548 L549 G555 Y558 L563	I547-L551 HydrophobicContact CG2-CD1 4.09Å; I547-L551 HydrophobicContact CG2-CG 4.38Å; I547-L551 WeakPolarHBondContact O-CG 3.46Å; I547-L551 PolarHBondContact O-N 2.93Å; H548-L551 PolarHBondContact O-N 3.39Å; L549-L551 PolarHBondContact O-N 2.92Å; L551-G555 PolarHBondContact O-N 3.1Å; L551-Y558 HydrophobicContact CB-CD1 4.33Å; L551-Y558 HydrophobicContact CB-CE1 3.81Å; L551-L563 HydrophobicContact CD1-CD2 4.05Å
552	I	74.1	Confident	74.7	Confident	59 Å²	59	57.9 Å²	57.9	30%	0.303	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-46	174.4	-70.2	169.2	0	0	0	110.9	H548 L549 Y550 G555	H548-I552 VanDerWaalsContact CE1-CD1 3.47Å; H548-I552 WeakPolarHBondContact CE1-CD1 3.25Å; H548-I552 WeakPolarHBondContact O-CG1 3.21Å; H548-I552 PolarHBondContact O-N 2.94Å; L549-I552 PolarHBondContact O-N 3.02Å; Y550-I552 VanDerWaalsContact C-N 3.35Å; Y550-I552 PolarHBondContact O-N 3.41Å; I552-G555 PolarHBondContact O-N 2.85Å
553	V	72.2	Confident	73.8	Confident	30 Å²	30	59.2 Å²	59.2	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-72.3	-32.8	-177	172.8	0	0	0	0	112.1	L549 Y550 G555 I626 K629 V630	L549-V553 HydrophobicContact CD1-CG2 4.38Å; L549-V553 WeakPolarHBondContact O-CG2 3.42Å; L549-V553 PolarHBondContact O-N 3.49Å; L549-V553 VanDerWaalsContact O-N 3.09Å; Y550-V553 PolarHBondContact O-N 2.99Å; V553-G555 VanDerWaalsContact C-N 3.28Å; V553-I626 HydrophobicContact CG2-CG2 4.12Å; V553-K629 HydrophobicContact CG1-CB 4.49Å; V553-K629 HydrophobicContact CG1-CD 4.28Å; V553-K629 HydrophobicContact CG1-CG 4.4Å; V553-V630 HydrophobicContact CG1-CG2 4.13Å
554	V	74.8	Confident	73.1	Confident	42 Å²	42	62 Å²	62	26%	0.255	33%	0.333	S	S	.	.	H	α-helix	trans	-76.3	-18.6	178.2	177.7	0	0	0	0	112.5	Y550 V556 K629	Y550-V554 HydrophobicContact CD1-CG2 4.38Å; Y550-V554 HydrophobicContact CD2-CG2 4.03Å; Y550-V554 HydrophobicContact CE1-CG2 4.02Å; Y550-V554 HydrophobicContact CE2-CG2 3.65Å; Y550-V554 HydrophobicContact CG-CG2 4.38Å; Y550-V554 WeakPolarHBondContact O-CG2 3.41Å; Y550-V554 PolarHBondContact O-N 3.31Å; V554-V556 HydrophobicContact CG1-CG2 3.9Å; V554-K629 HydrophobicContact CG2-CD 4.26Å
555	G	63.8	Low	72.7	Confident	59 Å²	59	69.8 Å²	69.8	61%	0.608	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	28.5	171	0	0	0	0	0	113.5	L551 I552 V553	L551-G555 PolarHBondContact O-N 3.1Å; I552-G555 PolarHBondContact O-N 2.85Å; V553-G555 VanDerWaalsContact C-N 3.28Å
556	V	68.8	Low	72.6	Confident	82 Å²	82	71.8 Å²	71.8	50%	0.497	37%	0.373	S	S	.	.			trans	-77.5	124	172.8	-173.9	0	0	0	0	107.9	V554 Y558	V554-V556 HydrophobicContact CG1-CG2 3.9Å; V556-Y558 WeakPolarHBondContact O-CD1 3.21Å; V556-Y558 PolarHBondContact O-N 3.25Å; V556-Y558 VanDerWaalsContact O-N 3.12Å
557	I	57.7	Low	72.7	Confident	174 Å²	174	72.5 Å²	72.5	89%	0.892	38%	0.376	S	S	*	.			trans	-73.6	104.5	173.7	-60.5	169.5	0	0	0	107.3
558	Y	63.6	Low	72.9	Confident	73 Å²	73	73 Å²	73	29%	0.286	38%	0.375	S	S	.	.			trans	-112.6	153.1	178.1	58.7	-96.3	0	0	0	111.7	L551 V556 K560 L563	L551-Y558 HydrophobicContact CB-CD1 4.33Å; L551-Y558 HydrophobicContact CB-CE1 3.81Å; V556-Y558 WeakPolarHBondContact O-CD1 3.21Å; V556-Y558 PolarHBondContact O-N 3.25Å; V556-Y558 VanDerWaalsContact O-N 3.12Å; Y558-K560 PolarHBondContact O-N 3.42Å; Y558-L563 HydrophobicContact CD2-CB 4.32Å; Y558-L563 HydrophobicContact CD2-CD2 3.54Å; Y558-L563 HydrophobicContact CE2-CD2 3.32Å; Y558-L563 HydrophobicContact CG-CD2 4.33Å
559	N	69.2	Low	73.3	Confident	121 Å²	121	77.8 Å²	77.8	65%	0.647	40%	0.399	S	S	*	.			trans	-71.1	110.8	178.4	-171.8	-8.2	0	0	0	110.8	G561 F562 L563	N559-G561 VanDerWaalsContact C-N 3.31Å; N559-G561 PolarHBondContact O-N 2.92Å; N559-G561 PolarHBondContact OD1-N 3.14Å; N559-F562 HydrophobicContact CB-CB 4.28Å; N559-F562 PolarHBondContact O-N 2.86Å; N559-L563 PolarHBondContact O-N 3.42Å
560	K	66.3	Low	73.9	Confident	165 Å²	165	82.3 Å²	82.3	72%	0.717	42%	0.419	S	S	*	.	H	α-helix	trans	-58.8	-36	-174.8	-68.7	-178	-179.6	176.2	0	113.6	Y558 H564	Y558-K560 PolarHBondContact O-N 3.42Å; K560-H564 PolarHBondContact O-N 3.18Å
561	G	64.9	Low	74.3	Confident	55 Å²	55	78.1 Å²	78.1	57%	0.567	40%	0.402	S	S	*	.	H	α-helix	trans	-74.6	-39.2	-177.4	0	0	0	0	0	113.7	N559	N559-G561 VanDerWaalsContact C-N 3.31Å; N559-G561 PolarHBondContact O-N 2.92Å; N559-G561 PolarHBondContact OD1-N 3.14Å
562	F	66.3	Low	75.1	Confident	117 Å²	117	79.1 Å²	79.1	51%	0.513	40%	0.404	S	S	.	.	H	α-helix	trans	-66	-41.6	178.4	-179.5	-103.9	0	0	0	111.8	N559 N566	N559-F562 HydrophobicContact CB-CB 4.28Å; N559-F562 PolarHBondContact O-N 2.86Å; F562-N566 WeakPolarHBondContact CE1-ND2 3.26Å; F562-N566 VanDerWaalsContact CZ-ND2 3.29Å; F562-N566 WeakPolarHBondContact CZ-ND2 3.21Å; F562-N566 VanDerWaalsContact O-CG 3.3Å; F562-N566 PolarHBondContact O-N 3.3Å; F562-N566 PolarHBondContact O-OD1 2.91Å
563	L	69.6	Low	76	Confident	35 Å²	35	77.7 Å²	77.7	18%	0.183	40%	0.404	C	S	.	.	H	α-helix	trans	-70.5	-37.7	-177.9	-166.8	66.9	0	0	0	112.4	L551 Y558 N559 R565 N566 F567	L551-L563 HydrophobicContact CD1-CD2 4.05Å; Y558-L563 HydrophobicContact CD2-CB 4.32Å; Y558-L563 HydrophobicContact CD2-CD2 3.54Å; Y558-L563 HydrophobicContact CE2-CD2 3.32Å; Y558-L563 HydrophobicContact CG-CD2 4.33Å; N559-L563 PolarHBondContact O-N 3.42Å; L563-R565 PolarHBondContact O-N 3.49Å; L563-N566 PolarHBondContact O-N 2.85Å; L563-F567 HydrophobicContact CD1-CD1 4.34Å; L563-F567 HydrophobicContact CD1-CE1 3.69Å; L563-F567 HydrophobicContact CD1-CZ 3.91Å; L563-F567 HydrophobicContact CD2-CE1 4.06Å; L563-F567 HydrophobicContact CD2-CE2 3.86Å; L563-F567 HydrophobicContact CD2-CZ 3.38Å; L563-F567 HydrophobicContact CG-CD1 4.27Å; L563-F567 HydrophobicContact CG-CD2 4.35Å; L563-F567 HydrophobicContact CG-CE1 3.63Å; L563-F567 HydrophobicContact CG-CE2 3.72Å; L563-F567 HydrophobicContact CG-CZ 3.34Å; L563-F567 VanDerWaalsContact O-CG 3.27Å; L563-F567 WeakPolarHBondContact O-CG 3.45Å; L563-F567 PolarHBondContact O-N 3.43Å
564	H	70.9	Confident	76.9	Confident	66 Å²	66	78.2 Å²	78.2	31%	0.306	41%	0.409	S	S	.	.	H	α-helix	trans	-61.4	-43.5	179.6	-170.3	-90.4	0	0	0	112.1	K560 F567 Y568	K560-H564 PolarHBondContact O-N 3.18Å; H564-F567 PolarHBondContact O-N 3.41Å; H564-Y568 AromaticContact CE1-CE2 3.47Å; H564-Y568 VanDerWaalsContact CE1-CE2 3.47Å; H564-Y568 WeakPolarHBondContact CE1-CE2 3.36Å; H564-Y568 AromaticContact ND1-CE2 3.96Å; H564-Y568 AromaticContact NE2-CE2 3.91Å; H564-Y568 WeakPolarHBondContact O-CD2 3.22Å
565	R	79.2	Confident	77.9	Confident	167 Å²	167	76.4 Å²	76.4	63%	0.63	40%	0.398	S	S	*	.	H	α-helix	trans	-65.3	-39.8	176.6	-173.7	171.2	65.2	-172.5	1.3	112.1	L563 F567 Y568 I569	L563-R565 PolarHBondContact O-N 3.49Å; R565-F567 VanDerWaalsContact C-N 3.34Å; R565-F567 PolarHBondContact O-N 2.66Å; R565-Y568 PolarHBondContact O-N 2.94Å; R565-I569 HydrophobicContact CG-CD1 4.46Å; R565-I569 PolarHBondContact O-N 3.35Å
566	N	81.9	Confident	79.4	Confident	55 Å²	55	75.6 Å²	75.6	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-70.4	-29.5	-179.1	-66.6	-1.5	0	0	0	112.5	F562 L563 Y568 I569 F570	F562-N566 WeakPolarHBondContact CE1-ND2 3.26Å; F562-N566 VanDerWaalsContact CZ-ND2 3.29Å; F562-N566 WeakPolarHBondContact CZ-ND2 3.21Å; F562-N566 VanDerWaalsContact O-CG 3.3Å; F562-N566 PolarHBondContact O-N 3.3Å; F562-N566 PolarHBondContact O-OD1 2.91Å; L563-N566 PolarHBondContact O-N 2.85Å; N566-Y568 PolarHBondContact O-N 3.33Å; N566-I569 PolarHBondContact O-N 3.35Å; N566-F570 WeakPolarHBondContact O-CB 3.21Å; N566-F570 PolarHBondContact O-N 2.82Å
567	F	86	Confident	80.6	Confident	14 Å²	14	75.8 Å²	75.8	6%	0.061	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-39.7	174.4	-70.7	-25.8	0	0	0	113.1	T492 I496 W541 I544 H548 L563 H564 R565 F570 G571	T492-F567 HydrophobicContact CG2-CE2 4.16Å; I496-F567 HydrophobicContact CD1-CD2 4.45Å; I496-F567 HydrophobicContact CD1-CE2 4.22Å; W541-F567 HydrophobicContact CZ3-CB 4.34Å; I544-F567 HydrophobicContact CD1-CB 4.32Å; I544-F567 VanDerWaalsContact CD1-O 3.32Å; I544-F567 WeakPolarHBondContact CD1-O 3.49Å; I544-F567 HydrophobicContact CG1-CD1 4.37Å; I544-F567 HydrophobicContact CG2-CB 4.2Å; I544-F567 HydrophobicContact CG2-CD1 3.61Å; I544-F567 HydrophobicContact CG2-CD2 4.04Å; I544-F567 HydrophobicContact CG2-CE1 3.81Å; I544-F567 HydrophobicContact CG2-CE2 4.22Å; I544-F567 HydrophobicContact CG2-CG 3.71Å; I544-F567 HydrophobicContact CG2-CZ 4.08Å; H548-F567 HydrophobicContact CB-CZ 4.33Å; L563-F567 HydrophobicContact CD1-CD1 4.34Å; L563-F567 HydrophobicContact CD1-CE1 3.69Å; L563-F567 HydrophobicContact CD1-CZ 3.91Å; L563-F567 HydrophobicContact CD2-CE1 4.06Å; L563-F567 HydrophobicContact CD2-CE2 3.86Å; L563-F567 HydrophobicContact CD2-CZ 3.38Å; L563-F567 HydrophobicContact CG-CD1 4.27Å; L563-F567 HydrophobicContact CG-CD2 4.35Å; L563-F567 HydrophobicContact CG-CE1 3.63Å; L563-F567 HydrophobicContact CG-CE2 3.72Å; L563-F567 HydrophobicContact CG-CZ 3.34Å; L563-F567 VanDerWaalsContact O-CG 3.27Å; L563-F567 WeakPolarHBondContact O-CG 3.45Å; L563-F567 PolarHBondContact O-N 3.43Å; H564-F567 PolarHBondContact O-N 3.41Å; R565-F567 VanDerWaalsContact C-N 3.34Å; R565-F567 PolarHBondContact O-N 2.66Å; F567-F570 PolarHBondContact O-N 2.83Å; F567-G571 WeakPolarHBondContact O-CA 3.33Å; F567-G571 PolarHBondContact O-N 2.92Å
568	Y	86.8	Confident	82.2	Confident	76 Å²	76	69.5 Å²	69.5	30%	0.298	36%	0.356	S	S	.	.	H	α-helix	trans	-68.1	-40.5	176.9	-80.5	-90.3	0	0	0	112.3	T495 N499 W541 H564 R565 N566 F570 Y572	T495-Y568 HydrophobicContact CG2-CE2 4.36Å; T495-Y568 WeakPolarHBondContact CG2-OH 3Å; N499-Y568 WeakPolarHBondContact ND2-CE1 3.42Å; N499-Y568 PolarHBondContact ND2-OH 3.37Å; N499-Y568 VanDerWaalsContact ND2-OH 3.14Å; W541-Y568 AromaticContact CH2-CD1 3.98Å; W541-Y568 HydrophobicContact CH2-CD1 3.98Å; W541-Y568 HydrophobicContact CH2-CD2 4.23Å; W541-Y568 HydrophobicContact CH2-CE1 4.1Å; W541-Y568 HydrophobicContact CH2-CE2 4.31Å; W541-Y568 HydrophobicContact CH2-CG 4.07Å; W541-Y568 AromaticContact CZ2-CD1 3.98Å; W541-Y568 HydrophobicContact CZ2-CD1 3.98Å; W541-Y568 HydrophobicContact CZ2-CE1 4.21Å; W541-Y568 HydrophobicContact CZ2-CG 4.4Å; H564-Y568 AromaticContact CE1-CE2 3.47Å; H564-Y568 VanDerWaalsContact CE1-CE2 3.47Å; H564-Y568 WeakPolarHBondContact CE1-CE2 3.36Å; H564-Y568 AromaticContact ND1-CE2 3.96Å; H564-Y568 AromaticContact NE2-CE2 3.91Å; H564-Y568 WeakPolarHBondContact O-CD2 3.22Å; R565-Y568 PolarHBondContact O-N 2.94Å; N566-Y568 PolarHBondContact O-N 3.33Å; Y568-F570 VanDerWaalsContact C-N 3.33Å; Y568-F570 PolarHBondContact O-N 3.35Å; Y568-Y572 HydrophobicContact CD1-CD2 4.26Å; Y568-Y572 HydrophobicContact CD1-CE2 4.13Å; Y568-Y572 HydrophobicContact CE1-CE2 4.41Å; Y568-Y572 PolarHBondContact O-N 3.32Å
569	I	88.6	Confident	83.7	Confident	111 Å²	111	67 Å²	67	57%	0.569	35%	0.349	S	S	*	.	H	α-helix	trans	-62.6	-42.8	176.3	-63.1	170	0	0	0	110.1	R565 N566 G573	R565-I569 HydrophobicContact CG-CD1 4.46Å; R565-I569 PolarHBondContact O-N 3.35Å; N566-I569 PolarHBondContact O-N 3.35Å; I569-G573 WeakPolarHBondContact O-CA 3.38Å; I569-G573 PolarHBondContact O-N 3.44Å
570	F	89.2	Confident	84.8	Confident	100 Å²	100	63.8 Å²	63.8	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-73	-45.7	178.7	-174.3	-101	0	0	0	112.7	I544 N566 F567 Y568 Y572 S574	I544-F570 HydrophobicContact CD1-CD1 3.92Å; I544-F570 HydrophobicContact CG1-CD1 3.73Å; I544-F570 HydrophobicContact CG1-CE1 4.29Å; N566-F570 WeakPolarHBondContact O-CB 3.21Å; N566-F570 PolarHBondContact O-N 2.82Å; F567-F570 PolarHBondContact O-N 2.83Å; Y568-F570 VanDerWaalsContact C-N 3.33Å; Y568-F570 PolarHBondContact O-N 3.35Å; F570-Y572 PolarHBondContact O-N 3Å; F570-S574 WeakPolarHBondContact O-CB 3.18Å; F570-S574 PolarHBondContact O-N 2.96Å; F570-S574 VanDerWaalsContact O-N 3.14Å; F570-S574 PolarHBondContact O-OG 2.9Å
571	G	89.5	Confident	86	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-37.4	-172.7	0	0	0	0	0	114.1	A540 F567 P575	A540-G571 WeakPolarHBondContact CB-O 3.34Å; F567-G571 WeakPolarHBondContact O-CA 3.33Å; F567-G571 PolarHBondContact O-N 2.92Å; G571-P575 WeakPolarHBondContact O-CD 3.5Å; G571-P575 WeakPolarHBondContact O-CG 3.35Å
572	Y	93.9	Very high	87.2	Confident	60 Å²	60	58.2 Å²	58.2	24%	0.235	30%	0.304	C	S	.	.	H	α-helix	trans	-105.8	-27.4	177.1	-68.1	-62.7	0	0	0	113.5	Y533 A537 W541 Y568 F570 P575 A576	Y533-Y572 WeakPolarHBondContact OH-CD1 3.32Å; A537-Y572 HydrophobicContact CB-CD1 4.18Å; A537-Y572 HydrophobicContact CB-CE1 4.33Å; W541-Y572 AromaticContact CE2-CE2 3.77Å; W541-Y572 AromaticContact CE2-CZ 3.97Å; W541-Y572 AromaticContact CZ2-CD2 3.79Å; W541-Y572 HydrophobicContact CZ2-CD2 3.79Å; W541-Y572 AromaticContact CZ2-CE2 3.47Å; W541-Y572 HydrophobicContact CZ2-CE2 3.47Å; W541-Y572 VanDerWaalsContact CZ2-CE2 3.47Å; W541-Y572 AromaticContact NE1-CD1 3.89Å; W541-Y572 AromaticContact NE1-CD2 3.9Å; W541-Y572 AromaticContact NE1-CE1 3.47Å; W541-Y572 AromaticContact NE1-CE2 3.5Å; W541-Y572 AromaticContact NE1-CZ 3.27Å; W541-Y572 VanDerWaalsContact NE1-CZ 3.27Å; Y568-Y572 HydrophobicContact CD1-CD2 4.26Å; Y568-Y572 HydrophobicContact CD1-CE2 4.13Å; Y568-Y572 HydrophobicContact CE1-CE2 4.41Å; Y568-Y572 PolarHBondContact O-N 3.32Å; F570-Y572 PolarHBondContact O-N 3Å; Y572-P575 WeakPolarHBondContact O-CD 3.43Å; Y572-A576 WeakPolarHBondContact O-CB 3.23Å; Y572-A576 PolarHBondContact O-N 3.45Å
573	G	93.4	Very high	88.3	Confident	30 Å²	30	54.5 Å²	54.5	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-73.6	-40.9	179	0	0	0	0	0	113.3	I569 A576 V577	I569-G573 WeakPolarHBondContact O-CA 3.38Å; I569-G573 PolarHBondContact O-N 3.44Å; G573-A576 PolarHBondContact O-N 3.44Å; G573-V577 WeakPolarHBondContact O-CG2 3Å; G573-V577 PolarHBondContact O-N 3.47Å
574	S	91.6	Very high	89.2	Confident	40 Å²	40	58.3 Å²	58.3	28%	0.28	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-43	-179.5	65.4	0	0	0	0	113.7	F570 A576 V577 V578	F570-S574 WeakPolarHBondContact O-CB 3.18Å; F570-S574 PolarHBondContact O-N 2.96Å; F570-S574 VanDerWaalsContact O-N 3.14Å; F570-S574 PolarHBondContact O-OG 2.9Å; S574-A576 PolarHBondContact O-N 3.17Å; S574-V577 PolarHBondContact O-N 3.26Å; S574-V578 WeakPolarHBondContact O-CG2 3.49Å; S574-V578 PolarHBondContact O-N 3.19Å
575	P	94.4	Very high	89.9	Confident	4 Å²	4	62 Å²	62	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-39.8	171.1	-21.9	33.7	0	0	0	113.3	Y533 L536 A537 A540 G571 Y572 V577 V578 V579	Y533-P575 HydrophobicContact CD2-CB 3.88Å; Y533-P575 HydrophobicContact CE2-CB 3.94Å; L536-P575 HydrophobicContact CB-CB 3.76Å; L536-P575 HydrophobicContact CB-CG 4.26Å; A537-P575 VanDerWaalsContact CA-CG 3.49Å; A537-P575 HydrophobicContact CB-CB 4.41Å; A537-P575 HydrophobicContact CB-CG 3.97Å; A540-P575 HydrophobicContact CB-CG 4.05Å; G571-P575 WeakPolarHBondContact O-CD 3.5Å; G571-P575 WeakPolarHBondContact O-CG 3.35Å; Y572-P575 WeakPolarHBondContact O-CD 3.43Å; P575-V577 VanDerWaalsContact C-N 3.33Å; P575-V577 PolarHBondContact O-N 3.49Å; P575-V578 PolarHBondContact O-N 2.94Å; P575-V579 WeakPolarHBondContact O-CG2 3.5Å; P575-V579 PolarHBondContact O-N 3.36Å
576	A	94.9	Very high	90	Very high	42 Å²	42	54.2 Å²	54.2	35%	0.347	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-41.5	-179.7	0	0	0	0	0	111.8	Y533 Y572 G573 S574 A580	Y533-A576 HydrophobicContact CD2-CB 4.48Å; Y533-A576 HydrophobicContact CE2-CB 3.93Å; Y572-A576 WeakPolarHBondContact O-CB 3.23Å; Y572-A576 PolarHBondContact O-N 3.45Å; G573-A576 PolarHBondContact O-N 3.44Å; S574-A576 PolarHBondContact O-N 3.17Å; A576-A580 VanDerWaalsContact O-CB 3.22Å; A576-A580 WeakPolarHBondContact O-CB 3.36Å; A576-A580 PolarHBondContact O-N 3.48Å
577	V	94.3	Very high	90	Very high	87 Å²	87	55.5 Å²	55.5	53%	0.527	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-46.5	176.7	172.6	0	0	0	0	111	G573 S574 P575 A580 I581	G573-V577 WeakPolarHBondContact O-CG2 3Å; G573-V577 PolarHBondContact O-N 3.47Å; S574-V577 PolarHBondContact O-N 3.26Å; P575-V577 VanDerWaalsContact C-N 3.33Å; P575-V577 PolarHBondContact O-N 3.49Å; V577-A580 PolarHBondContact O-N 3.38Å; V577-I581 HydrophobicContact CG1-CD1 3.83Å; V577-I581 VanDerWaalsContact O-CG1 3.32Å; V577-I581 WeakPolarHBondContact O-CG1 3.46Å; V577-I581 PolarHBondContact O-N 2.79Å
578	V	92.4	Very high	89.8	Confident	41 Å²	41	62.4 Å²	62.4	25%	0.248	36%	0.356	C	S	.	.	H	α-helix	trans	-59.3	-51.9	178	174.3	0	0	0	0	110.3	L536 S574 P575 A580 I581 S582 P611	L536-V578 HydrophobicContact CD1-CB 4.16Å; L536-V578 HydrophobicContact CD1-CG1 3.78Å; S574-V578 WeakPolarHBondContact O-CG2 3.49Å; S574-V578 PolarHBondContact O-N 3.19Å; P575-V578 PolarHBondContact O-N 2.94Å; V578-A580 VanDerWaalsContact C-N 3.34Å; V578-A580 PolarHBondContact O-N 3.5Å; V578-I581 PolarHBondContact O-N 2.93Å; V578-S582 PolarHBondContact O-N 2.92Å; V578-S582 PolarHBondContact O-OG 3.44Å; V578-P611 HydrophobicContact CG1-CG 4.27Å
579	V	93.4	Very high	89.7	Confident	20 Å²	20	61.6 Å²	61.6	12%	0.121	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-38.2	-178.5	175.6	0	0	0	0	112	H532 L536 P575 S582 A583	H532-V579 HydrophobicContact CB-CG2 4.26Å; L536-V579 HydrophobicContact CD1-CG2 4.21Å; P575-V579 WeakPolarHBondContact O-CG2 3.5Å; P575-V579 PolarHBondContact O-N 3.36Å; V579-S582 PolarHBondContact O-N 3.41Å; V579-A583 VanDerWaalsContact O-CB 3.23Å; V579-A583 WeakPolarHBondContact O-CB 3.42Å; V579-A583 PolarHBondContact O-N 3.35Å
580	A	92.6	Very high	89.5	Confident	54 Å²	54	56.8 Å²	56.8	45%	0.446	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-43.4	177	0	0	0	0	0	112.4	A576 V577 V578 S582 A583 T584	A576-A580 VanDerWaalsContact O-CB 3.22Å; A576-A580 WeakPolarHBondContact O-CB 3.36Å; A576-A580 PolarHBondContact O-N 3.48Å; V577-A580 PolarHBondContact O-N 3.38Å; V578-A580 VanDerWaalsContact C-N 3.34Å; V578-A580 PolarHBondContact O-N 3.5Å; A580-S582 VanDerWaalsContact C-N 3.33Å; A580-A583 PolarHBondContact O-N 2.61Å; A580-T584 WeakPolarHBondContact O-CG2 3.21Å; A580-T584 PolarHBondContact O-N 3.18Å; A580-T584 PolarHBondContact O-OG1 3.23Å
581	I	92	Very high	89	Confident	91 Å²	91	52.8 Å²	52.8	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-43.9	174.4	-66.8	167.9	0	0	0	109.8	V577 V578 A583 T584 L585	V577-I581 HydrophobicContact CG1-CD1 3.83Å; V577-I581 VanDerWaalsContact O-CG1 3.32Å; V577-I581 WeakPolarHBondContact O-CG1 3.46Å; V577-I581 PolarHBondContact O-N 2.79Å; V578-I581 PolarHBondContact O-N 2.93Å; I581-A583 PolarHBondContact O-N 3.13Å; I581-T584 WeakPolarHBondContact CA-OG1 3.35Å; I581-T584 PolarHBondContact O-N 2.86Å; I581-T584 PolarHBondContact O-OG1 3.45Å; I581-L585 HydrophobicContact CG2-CD1 3.74Å; I581-L585 HydrophobicContact CG2-CG 4.44Å; I581-L585 WeakPolarHBondContact O-CB 3.42Å; I581-L585 VanDerWaalsContact O-CG 3.31Å; I581-L585 WeakPolarHBondContact O-CG 3.45Å; I581-L585 PolarHBondContact O-N 3.45Å
582	S	90	Very high	88.4	Confident	12 Å²	12	54.8 Å²	54.8	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-68.8	-34.9	-179.6	-52.3	0	0	0	0	113.1	V578 V579 A580 G586 Y590 S607	V578-S582 PolarHBondContact O-N 2.92Å; V578-S582 PolarHBondContact O-OG 3.44Å; V579-S582 PolarHBondContact O-N 3.41Å; A580-S582 VanDerWaalsContact C-N 3.33Å; S582-G586 WeakPolarHBondContact O-CA 3.49Å; S582-G586 PolarHBondContact O-N 3.41Å; S582-Y590 WeakPolarHBondContact CB-OH 3.41Å; S582-S607 WeakPolarHBondContact CB-OG 3.46Å; S582-S607 PolarHBondContact OG-OG 2.93Å
583	A	89.4	Confident	87.4	Confident	40 Å²	40	59.1 Å²	59.1	33%	0.331	35%	0.354	S	S	.	.	H	α-helix	trans	-70.2	-37.5	175.7	0	0	0	0	0	112.2	V579 A580 I581 S587 Y590	V579-A583 VanDerWaalsContact O-CB 3.23Å; V579-A583 WeakPolarHBondContact O-CB 3.42Å; V579-A583 PolarHBondContact O-N 3.35Å; A580-A583 PolarHBondContact O-N 2.61Å; I581-A583 PolarHBondContact O-N 3.13Å; A583-S587 WeakPolarHBondContact O-CB 3.46Å; A583-S587 PolarHBondContact O-N 3.49Å; A583-S587 VanDerWaalsContact O-N 3.14Å; A583-Y590 HydrophobicContact CB-CE2 4.25Å
584	T	88.1	Confident	86.3	Confident	114 Å²	114	67.9 Å²	67.9	70%	0.699	38%	0.378	S	S	*	.	H	α-helix	trans	-71.2	-36.8	177	50.3	0	0	0	0	112.5	A580 I581	A580-T584 WeakPolarHBondContact O-CG2 3.21Å; A580-T584 PolarHBondContact O-N 3.18Å; A580-T584 PolarHBondContact O-OG1 3.23Å; I581-T584 WeakPolarHBondContact CA-OG1 3.35Å; I581-T584 PolarHBondContact O-N 2.86Å; I581-T584 PolarHBondContact O-OG1 3.45Å
585	L	86.7	Confident	85.7	Confident	144 Å²	144	68.9 Å²	68.9	75%	0.754	38%	0.382	S	S	*	.	H	α-helix	trans	-82.7	-22.5	179.1	-64.2	175.5	0	0	0	113.9	I581	I581-L585 HydrophobicContact CG2-CD1 3.74Å; I581-L585 HydrophobicContact CG2-CG 4.44Å; I581-L585 WeakPolarHBondContact O-CB 3.42Å; I581-L585 VanDerWaalsContact O-CG 3.31Å; I581-L585 WeakPolarHBondContact O-CG 3.45Å; I581-L585 PolarHBondContact O-N 3.45Å
586	G	81.3	Confident	85.2	Confident	4 Å²	4	68.7 Å²	68.7	4%	0.041	38%	0.381	C	S	.	.	H	α-helix	trans	-153.4	38.1	-165.5	0	0	0	0	0	116.1	S582 K588 Y589	S582-G586 WeakPolarHBondContact O-CA 3.49Å; S582-G586 PolarHBondContact O-N 3.41Å; G586-K588 PolarHBondContact O-N 3.26Å; G586-Y589 PolarHBondContact O-N 3.01Å
587	S	81.4	Confident	84.9	Confident	82 Å²	82	69.2 Å²	69.2	57%	0.573	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-52.2	-30.7	178.8	62.6	0	0	0	0	114.5	A583 Y589	A583-S587 WeakPolarHBondContact O-CB 3.46Å; A583-S587 PolarHBondContact O-N 3.49Å; A583-S587 VanDerWaalsContact O-N 3.14Å; S587-Y589 VanDerWaalsContact C-N 3.28Å; S587-Y589 PolarHBondContact O-N 2.8Å
588	K	81.1	Confident	84.4	Confident	158 Å²	158	65.3 Å²	65.3	69%	0.687	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-67.8	-23.7	177.8	-170.7	-179.2	176.4	-172.9	0	113.7	G586	G586-K588 PolarHBondContact O-N 3.26Å
589	Y	84.3	Confident	83.8	Confident	60 Å²	60	63.9 Å²	63.9	24%	0.235	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-92.9	2.3	-175.1	-58.7	-73.2	0	0	0	113.4	G586 S587 S599 N602 F604	G586-Y589 PolarHBondContact O-N 3.01Å; S587-Y589 VanDerWaalsContact C-N 3.28Å; S587-Y589 PolarHBondContact O-N 2.8Å; Y589-S599 PolarHBondContact O-N 3.47Å; Y589-N602 HydrophobicContact CE1-CB 4.36Å; Y589-N602 PolarHBondContact OH-ND2 2.99Å; Y589-F604 HydrophobicContact CD2-CD2 4.19Å; Y589-F604 HydrophobicContact CD2-CG 4.38Å; Y589-F604 HydrophobicContact CG-CB 4.28Å; Y589-F604 HydrophobicContact CG-CD1 4.42Å; Y589-F604 HydrophobicContact CG-CD2 4.38Å; Y589-F604 HydrophobicContact CG-CG 4.11Å
590	Y	85.3	Confident	82.8	Confident	10 Å²	10	68 Å²	68	4%	0.039	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-88.1	106.8	170	-79.7	-88.4	0	0	0	110.3	S525 A528 H532 S582 A583 L598 F604	S525-Y590 WeakPolarHBondContact CA-O 3.32Å; S525-Y590 VanDerWaalsContact CB-O 3.3Å; S525-Y590 WeakPolarHBondContact CB-O 3.07Å; S525-Y590 VanDerWaalsContact OG-CB 3.27Å; S525-Y590 WeakPolarHBondContact OG-CB 3.37Å; S525-Y590 PolarHBondContact OG-O 2.98Å; A528-Y590 HydrophobicContact CB-CD1 3.99Å; H532-Y590 HydrophobicContact CB-CE1 4.18Å; H532-Y590 AromaticContact ND1-CE1 3.66Å; H532-Y590 AromaticContact ND1-CZ 3.66Å; H532-Y590 PolarHBondContact ND1-OH 3.47Å; S582-Y590 WeakPolarHBondContact CB-OH 3.41Å; A583-Y590 HydrophobicContact CB-CE2 4.25Å; Y590-L598 HydrophobicContact CE1-CD1 4.44Å; Y590-L598 HydrophobicContact CE1-CG 4.43Å; Y590-F604 AromaticContact CD2-CE1 3.95Å; Y590-F604 HydrophobicContact CD2-CE1 3.95Å; Y590-F604 AromaticContact CD2-CZ 3.91Å; Y590-F604 HydrophobicContact CD2-CZ 3.91Å; Y590-F604 AromaticContact CE2-CE1 3.81Å; Y590-F604 HydrophobicContact CE2-CE1 3.81Å; Y590-F604 AromaticContact CE2-CZ 3.48Å; Y590-F604 HydrophobicContact CE2-CZ 3.48Å; Y590-F604 VanDerWaalsContact CE2-CZ 3.48Å
591	G	78.6	Confident	81.8	Confident	15 Å²	15	71.7 Å²	71.7	16%	0.155	38%	0.375	C	S	.	.			trans	97	136.4	-177.3	0	0	0	0	0	112.5	W597	G591-W597 VanDerWaalsContact CA-O 3.24Å; G591-W597 WeakPolarHBondContact CA-O 3.22Å; G591-W597 PolarHBondContact N-O 3.25Å
592	T	76.5	Confident	81.1	Confident	43 Å²	43	73.2 Å²	73.2	26%	0.264	38%	0.384	S	S	.	.			trans	-116.2	166.3	173.8	68	0	0	0	0	110.1	R594 V595	T592-R594 PolarHBondContact O-N 3.37Å; T592-R594 VanDerWaalsContact O-N 3.14Å; T592-R594 PolarHBondContact OG1-N 2.89Å; T592-V595 PolarHBondContact N-O 2.88Å; T592-V595 WeakPolarHBondContact OG1-CG2 3.39Å; T592-V595 PolarHBondContact OG1-N 3.33Å; T592-V595 PolarHBondContact OG1-O 2.99Å
593	D	73.4	Confident	80.4	Confident	151 Å²	151	79.5 Å²	79.5	81%	0.807	41%	0.412	S	S	*	.	S	Bend	trans	-67.2	-13	178	-59.6	-36.8	0	0	0	113
594	R	69.6	Low	80.2	Confident	213 Å²	213	78.8 Å²	78.8	80%	0.804	40%	0.402	S	S	*	.	S	Bend	trans	-104.4	-41.9	-179.8	-65	-172.9	178	-177.6	0.2	113	T592	T592-R594 PolarHBondContact O-N 3.37Å; T592-R594 VanDerWaalsContact O-N 3.14Å; T592-R594 PolarHBondContact OG1-N 2.89Å
595	V	79.2	Confident	80	Confident	62 Å²	62	74 Å²	74	38%	0.376	37%	0.372	S	S	.	.			trans	-143.1	146.5	-176.1	-68.3	0	0	0	0	112	I515 T592 W597	I515-V595 HydrophobicContact CG1-CB 4.19Å; I515-V595 HydrophobicContact CG1-CG1 4.29Å; T592-V595 PolarHBondContact N-O 2.88Å; T592-V595 WeakPolarHBondContact OG1-CG2 3.39Å; T592-V595 PolarHBondContact OG1-N 3.33Å; T592-V595 PolarHBondContact OG1-O 2.99Å; V595-W597 HydrophobicContact CG2-CB 4.31Å; V595-W597 PolarHBondContact O-N 2.84Å
596	C	85.6	Confident	80	Confident	0 Å²	0	74 Å²	74	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-82	66.6	177.3	-60.4	0	0	0	0	112.6	I515 M517 C524 I527	I515-C596 PolarHBondContact O-N 3.46Å; I515-C596 VanDerWaalsContact O-N 3.15Å; M517-C596 PolarHBondContact O-SG 3.39Å; M517-C596 VanDerWaalsContact O-SG 3.4Å; C524-C596 WeakPolarHBondContact CA-SG 3.5Å; C524-C596 HydrophobicContact CB-CB 4.03Å; C524-C596 WeakPolarHBondContact CB-SG 3.11Å; C524-C596 WeakPolarHBondContact SG-CA 3.39Å; C524-C596 WeakPolarHBondContact SG-CB 3.47Å; C524-C596 CovalentContact SG-SG 2.04Å; C524-C596 PolarHBondContact SG-SG 3.05Å; I527-C596 HydrophobicContact CB-CB 4.48Å; I527-C596 HydrophobicContact CG2-CB 4.2Å
597	W	86.6	Confident	80.3	Confident	53 Å²	53	75.1 Å²	75.1	20%	0.201	37%	0.369	C	S	.	.	S	Bend	trans	-137.4	172.1	177.9	-170.2	-108.3	0	0	0	111.8	L531 F535 G591 V595 S599	L531-W597 HydrophobicContact CB-CE3 4.1Å; L531-W597 HydrophobicContact CB-CH2 4.31Å; L531-W597 HydrophobicContact CB-CZ3 3.43Å; L531-W597 VanDerWaalsContact CB-CZ3 3.43Å; L531-W597 HydrophobicContact CD1-CE3 3.81Å; L531-W597 HydrophobicContact CD1-CZ3 3.85Å; L531-W597 HydrophobicContact CG-CZ3 4.19Å; F535-W597 AromaticContact CD2-CH2 3.72Å; F535-W597 HydrophobicContact CD2-CH2 3.72Å; F535-W597 HydrophobicContact CD2-CZ3 4.04Å; F535-W597 HydrophobicContact CE2-CH2 4.01Å; F535-W597 AromaticContact CE2-CZ3 3.99Å; F535-W597 HydrophobicContact CE2-CZ3 3.99Å; G591-W597 VanDerWaalsContact CA-O 3.24Å; G591-W597 WeakPolarHBondContact CA-O 3.22Å; G591-W597 PolarHBondContact N-O 3.25Å; V595-W597 HydrophobicContact CG2-CB 4.31Å; V595-W597 PolarHBondContact O-N 2.84Å; W597-S599 PolarHBondContact O-N 3.5Å
598	L	83.8	Confident	80.7	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.026	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-59.7	132.1	174.3	-75.6	78.5	0	0	0	110.6	H532 Y590 F604 V605 F608	H532-L598 HydrophobicContact CB-CD1 4.03Å; Y590-L598 HydrophobicContact CE1-CD1 4.44Å; Y590-L598 HydrophobicContact CE1-CG 4.43Å; L598-F604 HydrophobicContact CB-CD1 4.37Å; L598-F604 HydrophobicContact CD2-CD1 4.1Å; L598-F604 HydrophobicContact CD2-CE1 3.95Å; L598-F604 HydrophobicContact CG-CD1 4.32Å; L598-F604 HydrophobicContact CG-CE1 4.13Å; L598-V605 HydrophobicContact CB-CG2 4.13Å; L598-F608 HydrophobicContact CD2-CB 4.23Å
599	S	80.2	Confident	80.9	Confident	11 Å²	11	64.4 Å²	64.4	8%	0.077	31%	0.313	C	S	.	.			trans	-69.5	134.9	175.3	-176.8	0	0	0	0	111.6	Y589 W597 E601 V605	Y589-S599 PolarHBondContact O-N 3.47Å; W597-S599 PolarHBondContact O-N 3.5Å; S599-E601 PolarHBondContact O-N 3.44Å; S599-E601 WeakPolarHBondContact OG-CB 3.38Å; S599-E601 WeakPolarHBondContact OG-CG 3.46Å; S599-E601 PolarHBondContact OG-N 3.27Å; S599-V605 WeakPolarHBondContact O-CG2 3.22Å
600	T	73.3	Confident	81.1	Confident	106 Å²	106	62.9 Å²	62.9	65%	0.65	32%	0.315	S	S	*	.			trans	-72.7	-10.5	172.7	48	0	0	0	0	113.1	V605	T600-V605 HydrophobicContact CG2-CG2 3.82Å
601	E	72.1	Confident	81.3	Confident	131 Å²	131	64.2 Å²	64.2	61%	0.612	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-65.5	145.9	176.2	-62.9	-179.3	172	0	0	111.7	S599 H603 F604	S599-E601 PolarHBondContact O-N 3.44Å; S599-E601 WeakPolarHBondContact OG-CB 3.38Å; S599-E601 WeakPolarHBondContact OG-CG 3.46Å; S599-E601 PolarHBondContact OG-N 3.27Å; E601-H603 PolarHBondContact O-N 3.11Å; E601-H603 VanDerWaalsContact O-N 3.11Å; E601-F604 PolarHBondContact O-N 2.91Å
602	N	75.9	Confident	81.7	Confident	123 Å²	123	63.7 Å²	63.7	66%	0.658	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	54.5	26.2	-178.9	-81.4	-6.5	0	0	0	115.4	Y589 F604	Y589-N602 HydrophobicContact CE1-CB 4.36Å; Y589-N602 PolarHBondContact OH-ND2 2.99Å; N602-F604 PolarHBondContact O-N 3.24Å; N602-F604 VanDerWaalsContact O-N 3.12Å
603	H	76.7	Confident	82.1	Confident	145 Å²	145	64.3 Å²	64.3	67%	0.671	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	59	21.2	-179.3	-57.2	87.2	0	0	0	113.3	E601 V605 W606	E601-H603 PolarHBondContact O-N 3.11Å; E601-H603 VanDerWaalsContact O-N 3.11Å; H603-V605 PolarHBondContact O-N 2.69Å; H603-W606 WeakPolarHBondContact O-CB 3.36Å; H603-W606 PolarHBondContact O-N 2.98Å
604	F	85.4	Confident	82.8	Confident	25 Å²	25	62.4 Å²	62.4	11%	0.11	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.5	-175.6	-173.9	-106.1	0	0	0	112.9	Y589 Y590 L598 E601 N602 W606 S607	Y589-F604 HydrophobicContact CD2-CD2 4.19Å; Y589-F604 HydrophobicContact CD2-CG 4.38Å; Y589-F604 HydrophobicContact CG-CB 4.28Å; Y589-F604 HydrophobicContact CG-CD1 4.42Å; Y589-F604 HydrophobicContact CG-CD2 4.38Å; Y589-F604 HydrophobicContact CG-CG 4.11Å; Y590-F604 AromaticContact CD2-CE1 3.95Å; Y590-F604 HydrophobicContact CD2-CE1 3.95Å; Y590-F604 AromaticContact CD2-CZ 3.91Å; Y590-F604 HydrophobicContact CD2-CZ 3.91Å; Y590-F604 AromaticContact CE2-CE1 3.81Å; Y590-F604 HydrophobicContact CE2-CE1 3.81Å; Y590-F604 AromaticContact CE2-CZ 3.48Å; Y590-F604 HydrophobicContact CE2-CZ 3.48Å; Y590-F604 VanDerWaalsContact CE2-CZ 3.48Å; L598-F604 HydrophobicContact CB-CD1 4.37Å; L598-F604 HydrophobicContact CD2-CD1 4.1Å; L598-F604 HydrophobicContact CD2-CE1 3.95Å; L598-F604 HydrophobicContact CG-CD1 4.32Å; L598-F604 HydrophobicContact CG-CE1 4.13Å; E601-F604 PolarHBondContact O-N 2.91Å; N602-F604 PolarHBondContact O-N 3.24Å; N602-F604 VanDerWaalsContact O-N 3.12Å; F604-W606 PolarHBondContact O-N 3.26Å; F604-W606 VanDerWaalsContact O-N 3.11Å; F604-S607 WeakPolarHBondContact O-CB 3.32Å; F604-S607 PolarHBondContact O-N 2.86Å
605	V	83.3	Confident	83.6	Confident	12 Å²	12	53.8 Å²	53.8	7%	0.073	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.4	173.7	175.8	0	0	0	0	113	L598 S599 T600 H603 S607 F608 I609 I672	L598-V605 HydrophobicContact CB-CG2 4.13Å; S599-V605 WeakPolarHBondContact O-CG2 3.22Å; T600-V605 HydrophobicContact CG2-CG2 3.82Å; H603-V605 PolarHBondContact O-N 2.69Å; V605-S607 PolarHBondContact O-N 3.16Å; V605-F608 PolarHBondContact O-N 3.33Å; V605-I609 HydrophobicContact CG1-CD1 3.47Å; V605-I609 VanDerWaalsContact CG1-CD1 3.47Å; V605-I609 HydrophobicContact CG1-CG1 3.84Å; V605-I609 PolarHBondContact O-N 3.4Å; V605-I609 VanDerWaalsContact O-N 3.11Å; V605-I672 HydrophobicContact CG1-CD1 4.47Å
606	W	85.8	Confident	83.8	Confident	145 Å²	145	51.9 Å²	51.9	55%	0.549	27%	0.271	S	S	.	.	H	α-helix	trans	-64.6	-19.4	175.5	-81.9	95.9	0	0	0	113.9	H603 F604 F608 I609 G610	H603-W606 WeakPolarHBondContact O-CB 3.36Å; H603-W606 PolarHBondContact O-N 2.98Å; F604-W606 PolarHBondContact O-N 3.26Å; F604-W606 VanDerWaalsContact O-N 3.11Å; W606-F608 PolarHBondContact O-N 2.89Å; W606-I609 HydrophobicContact CE3-CB 4.25Å; W606-I609 HydrophobicContact CE3-CG2 4.07Å; W606-I609 HydrophobicContact CH2-CG2 4.4Å; W606-I609 HydrophobicContact CZ3-CG2 3.92Å; W606-G610 PolarHBondContact O-N 3.05Å
607	S	88.8	Confident	83.8	Confident	27 Å²	27	56.4 Å²	56.4	19%	0.189	30%	0.295	C	S	.	.	H	α-helix	trans	-56.7	-29.2	168.8	174	0	0	0	0	112.8	H532 S582 F604 V605 P611	H532-S607 PolarHBondContact CE1-OG 3.4Å; S582-S607 WeakPolarHBondContact CB-OG 3.46Å; S582-S607 PolarHBondContact OG-OG 2.93Å; F604-S607 WeakPolarHBondContact O-CB 3.32Å; F604-S607 PolarHBondContact O-N 2.86Å; V605-S607 PolarHBondContact O-N 3.16Å; S607-P611 WeakPolarHBondContact O-CD 3.5Å; S607-P611 WeakPolarHBondContact O-CG 3.32Å
608	F	88.4	Confident	83.7	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-97.9	-49.1	178.5	168.2	-99.8	0	0	0	111	H532 F535 L536 F539 L598 V605 W606 G610 P611 A612 W665	H532-F608 AromaticContact CD2-CD2 3.65Å; F535-F608 HydrophobicContact CB-CE2 3.79Å; F535-F608 HydrophobicContact CB-CZ 4.19Å; L536-F608 HydrophobicContact CD2-CD2 3.8Å; L536-F608 HydrophobicContact CD2-CE2 4.01Å; L536-F608 HydrophobicContact CG-CD2 3.84Å; L536-F608 HydrophobicContact CG-CE2 4.1Å; F539-F608 HydrophobicContact CE2-CE2 4.28Å; F539-F608 AromaticContact CE2-CZ 3.9Å; F539-F608 HydrophobicContact CE2-CZ 3.9Å; L598-F608 HydrophobicContact CD2-CB 4.23Å; V605-F608 PolarHBondContact O-N 3.33Å; W606-F608 PolarHBondContact O-N 2.89Å; F608-G610 PolarHBondContact O-N 3.33Å; F608-P611 WeakPolarHBondContact O-CD 3.35Å; F608-A612 WeakPolarHBondContact O-CB 3.38Å; F608-A612 PolarHBondContact O-N 3.34Å; F608-W665 HydrophobicContact CD1-CZ3 4.31Å; F608-W665 HydrophobicContact CE1-CD2 4.44Å; F608-W665 AromaticContact CE1-CE3 3.67Å; F608-W665 HydrophobicContact CE1-CE3 3.67Å; F608-W665 AromaticContact CE1-CH2 3.48Å; F608-W665 HydrophobicContact CE1-CH2 3.48Å; F608-W665 VanDerWaalsContact CE1-CH2 3.48Å; F608-W665 HydrophobicContact CE1-CZ2 4.26Å; F608-W665 AromaticContact CE1-CZ3 3.17Å; F608-W665 HydrophobicContact CE1-CZ3 3.17Å; F608-W665 HydrophobicContact CZ-CD2 4.37Å; F608-W665 HydrophobicContact CZ-CE3 4.02Å; F608-W665 AromaticContact CZ-CH2 3.34Å; F608-W665 HydrophobicContact CZ-CH2 3.34Å; F608-W665 AromaticContact CZ-CZ2 3.74Å; F608-W665 HydrophobicContact CZ-CZ2 3.74Å; F608-W665 AromaticContact CZ-CZ3 3.54Å; F608-W665 HydrophobicContact CZ-CZ3 3.54Å
609	I	86.9	Confident	83.5	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.062	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-41.5	-175.2	-64.7	-179.3	0	0	0	111.6	V605 W606 A612 C613 V669 I672	V605-I609 HydrophobicContact CG1-CD1 3.47Å; V605-I609 VanDerWaalsContact CG1-CD1 3.47Å; V605-I609 HydrophobicContact CG1-CG1 3.84Å; V605-I609 PolarHBondContact O-N 3.4Å; V605-I609 VanDerWaalsContact O-N 3.11Å; W606-I609 HydrophobicContact CE3-CB 4.25Å; W606-I609 HydrophobicContact CE3-CG2 4.07Å; W606-I609 HydrophobicContact CH2-CG2 4.4Å; W606-I609 HydrophobicContact CZ3-CG2 3.92Å; I609-A612 PolarHBondContact O-N 2.95Å; I609-C613 WeakPolarHBondContact O-CB 3.07Å; I609-C613 PolarHBondContact O-N 2.89Å; I609-C613 PolarHBondContact O-SG 3.42Å; I609-C613 VanDerWaalsContact O-SG 3.4Å; I609-V669 HydrophobicContact CD1-CG2 4.48Å; I609-V669 HydrophobicContact CG2-CG2 3.92Å; I609-I672 HydrophobicContact CD1-CD1 3.66Å
610	G	88.1	Confident	83.7	Confident	27 Å²	27	60.4 Å²	60.4	28%	0.278	32%	0.321	S	S	.	.	H	α-helix	trans	-57.6	-57.5	-178.5	0	0	0	0	0	112.9	W606 F608 A612 C613 L614	W606-G610 PolarHBondContact O-N 3.05Å; F608-G610 PolarHBondContact O-N 3.33Å; G610-A612 VanDerWaalsContact C-N 3.33Å; G610-A612 PolarHBondContact O-N 3.49Å; G610-C613 PolarHBondContact O-N 2.99Å; G610-L614 PolarHBondContact O-N 3.01Å
611	P	89.3	Confident	84.2	Confident	39 Å²	39	60.8 Å²	60.8	25%	0.253	32%	0.318	S	S	.	.	H	α-helix	trans	-57.5	-41.3	174.7	-27.6	36	0	0	0	113.6	L536 V578 S607 F608 L614 I615	L536-P611 HydrophobicContact CD2-CB 4.17Å; V578-P611 HydrophobicContact CG1-CG 4.27Å; S607-P611 WeakPolarHBondContact O-CD 3.5Å; S607-P611 WeakPolarHBondContact O-CG 3.32Å; F608-P611 WeakPolarHBondContact O-CD 3.35Å; P611-L614 PolarHBondContact O-N 3.46Å; P611-I615 VanDerWaalsContact O-CG1 3.27Å; P611-I615 WeakPolarHBondContact O-CG1 3.46Å; P611-I615 PolarHBondContact O-N 2.8Å
612	A	86.4	Confident	84.5	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-47.2	179	0	0	0	0	0	112.2	F539 F608 I609 G610 L614 I615 I616	F539-A612 HydrophobicContact CD2-CB 4.07Å; F539-A612 HydrophobicContact CE2-CB 3.81Å; F539-A612 HydrophobicContact CZ-CB 4.05Å; F608-A612 WeakPolarHBondContact O-CB 3.38Å; F608-A612 PolarHBondContact O-N 3.34Å; I609-A612 PolarHBondContact O-N 2.95Å; G610-A612 VanDerWaalsContact C-N 3.33Å; G610-A612 PolarHBondContact O-N 3.49Å; A612-L614 PolarHBondContact O-N 3.43Å; A612-I615 PolarHBondContact O-N 3.45Å; A612-I616 VanDerWaalsContact O-CG1 3.28Å; A612-I616 WeakPolarHBondContact O-CG1 3.28Å; A612-I616 PolarHBondContact O-N 3.38Å
613	C	85.7	Confident	84.5	Confident	55 Å²	55	50.1 Å²	50.1	37%	0.372	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-40.8	176.4	-73.2	0	0	0	0	112.2	I609 G610 I616 L617	I609-C613 WeakPolarHBondContact O-CB 3.07Å; I609-C613 PolarHBondContact O-N 2.89Å; I609-C613 PolarHBondContact O-SG 3.42Å; I609-C613 VanDerWaalsContact O-SG 3.4Å; G610-C613 PolarHBondContact O-N 2.99Å; C613-I616 PolarHBondContact O-N 3.1Å; C613-L617 WeakPolarHBondContact O-CB 3.28Å; C613-L617 PolarHBondContact O-N 2.92Å
614	L	87.8	Confident	84.7	Confident	111 Å²	111	45.1 Å²	45.1	58%	0.581	26%	0.255	S	S	*	.	H	α-helix	trans	-61.7	-44.3	175.9	-179.6	64.7	0	0	0	111.4	G610 P611 A612 L617 V618	G610-L614 PolarHBondContact O-N 3.01Å; P611-L614 PolarHBondContact O-N 3.46Å; A612-L614 PolarHBondContact O-N 3.43Å; L614-L617 PolarHBondContact O-N 2.99Å; L614-V618 WeakPolarHBondContact O-CG2 3.21Å; L614-V618 PolarHBondContact O-N 3.46Å
615	I	85.9	Confident	84.5	Confident	32 Å²	32	47.3 Å²	47.3	16%	0.164	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-45.6	177.6	-71.1	165.7	0	0	0	111.1	F539 C543 P611 A612 L617 V618 N619	F539-I615 HydrophobicContact CB-CD1 3.97Å; F539-I615 HydrophobicContact CB-CG2 4.22Å; F539-I615 WeakPolarHBondContact O-CG2 3.11Å; C543-I615 HydrophobicContact CB-CG2 3.75Å; P611-I615 VanDerWaalsContact O-CG1 3.27Å; P611-I615 WeakPolarHBondContact O-CG1 3.46Å; P611-I615 PolarHBondContact O-N 2.8Å; A612-I615 PolarHBondContact O-N 3.45Å; I615-L617 VanDerWaalsContact C-N 3.31Å; I615-L617 PolarHBondContact O-N 3.13Å; I615-V618 PolarHBondContact O-N 2.99Å; I615-N619 WeakPolarHBondContact O-CB 3.43Å; I615-N619 VanDerWaalsContact O-CG 3.25Å; I615-N619 PolarHBondContact O-N 3.48Å; I615-N619 PolarHBondContact O-ND2 3.18Å
616	I	83.2	Confident	84.2	Confident	22 Å²	22	47 Å²	47	11%	0.113	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-44.4	176.7	-68.6	166.5	0	0	0	110.2	F539 A612 C613 N619 L620 W665	F539-I616 HydrophobicContact CD1-CG1 4.49Å; F539-I616 HydrophobicContact CE1-CD1 3.97Å; F539-I616 HydrophobicContact CE1-CG1 4.14Å; A612-I616 VanDerWaalsContact O-CG1 3.28Å; A612-I616 WeakPolarHBondContact O-CG1 3.28Å; A612-I616 PolarHBondContact O-N 3.38Å; C613-I616 PolarHBondContact O-N 3.1Å; I616-N619 PolarHBondContact O-N 3.25Å; I616-L620 HydrophobicContact CG2-CD1 3.95Å; I616-L620 HydrophobicContact CG2-CG 4.4Å; I616-L620 WeakPolarHBondContact O-CB 3.29Å; I616-L620 VanDerWaalsContact O-CG 3.32Å; I616-L620 WeakPolarHBondContact O-CG 3.18Å; I616-L620 PolarHBondContact O-N 3.29Å; I616-W665 HydrophobicContact CD1-CB 4.49Å
617	L	85.6	Confident	83.7	Confident	95 Å²	95	44.4 Å²	44.4	50%	0.497	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-48.5	177.2	179.2	65.8	0	0	0	112.1	C613 L614 I615 N619 L620 L621	C613-L617 WeakPolarHBondContact O-CB 3.28Å; C613-L617 PolarHBondContact O-N 2.92Å; L614-L617 PolarHBondContact O-N 2.99Å; I615-L617 VanDerWaalsContact C-N 3.31Å; I615-L617 PolarHBondContact O-N 3.13Å; L617-N619 VanDerWaalsContact C-N 3.29Å; L617-N619 PolarHBondContact O-N 3.45Å; L617-L620 PolarHBondContact O-N 2.97Å; L617-L621 HydrophobicContact CG-CD1 4.39Å; L617-L621 WeakPolarHBondContact O-CG 3.27Å; L617-L621 PolarHBondContact O-N 3.46Å
618	V	85.1	Confident	83.3	Confident	61 Å²	61	50.4 Å²	50.4	37%	0.37	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-42.5	177.5	169	0	0	0	0	110.8	L614 I615 L621 A622	L614-V618 WeakPolarHBondContact O-CG2 3.21Å; L614-V618 PolarHBondContact O-N 3.46Å; I615-V618 PolarHBondContact O-N 2.99Å; V618-L621 PolarHBondContact O-N 3.44Å; V618-A622 WeakPolarHBondContact O-CB 3.49Å; V618-A622 PolarHBondContact O-N 3.45Å
619	N	80.3	Confident	82.6	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-47.9	176.8	-71.1	-16.4	0	0	0	111.3	C543 I615 I616 L617 L621 A622 F623 L658	C543-N619 VanDerWaalsContact CA-OD1 3.28Å; C543-N619 WeakPolarHBondContact CA-OD1 3.18Å; C543-N619 PolarHBondContact SG-OD1 2.95Å; C543-N619 VanDerWaalsContact SG-OD1 3.35Å; I615-N619 WeakPolarHBondContact O-CB 3.43Å; I615-N619 VanDerWaalsContact O-CG 3.25Å; I615-N619 PolarHBondContact O-N 3.48Å; I615-N619 PolarHBondContact O-ND2 3.18Å; I616-N619 PolarHBondContact O-N 3.25Å; L617-N619 VanDerWaalsContact C-N 3.29Å; L617-N619 PolarHBondContact O-N 3.45Å; N619-L621 VanDerWaalsContact C-N 3.3Å; N619-L621 PolarHBondContact O-N 3.43Å; N619-A622 PolarHBondContact O-N 3.28Å; N619-A622 VanDerWaalsContact O-N 3.16Å; N619-F623 HydrophobicContact CB-CD2 4.42Å; N619-F623 HydrophobicContact CB-CE2 4.45Å; N619-F623 WeakPolarHBondContact O-CD2 3.44Å; N619-F623 PolarHBondContact O-N 3.19Å; N619-L658 HydrophobicContact CB-CD1 3.7Å
620	L	82.9	Confident	81.9	Confident	93 Å²	93	54.4 Å²	54.4	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-56.5	-42.5	176.9	-74.7	169.6	0	0	0	112.2	I616 L617 F623 G624 L658	I616-L620 HydrophobicContact CG2-CD1 3.95Å; I616-L620 HydrophobicContact CG2-CG 4.4Å; I616-L620 WeakPolarHBondContact O-CB 3.29Å; I616-L620 VanDerWaalsContact O-CG 3.32Å; I616-L620 WeakPolarHBondContact O-CG 3.18Å; I616-L620 PolarHBondContact O-N 3.29Å; L617-L620 PolarHBondContact O-N 2.97Å; L620-F623 PolarHBondContact O-N 3.4Å; L620-G624 PolarHBondContact O-N 3.07Å; L620-L658 HydrophobicContact CD2-CD2 3.72Å; L620-L658 HydrophobicContact CD2-CG 4.46Å; L620-L658 HydrophobicContact CG-CD2 4.46Å
621	L	85.2	Confident	81.2	Confident	113 Å²	113	61 Å²	61	59%	0.592	32%	0.322	S	S	*	.	H	α-helix	trans	-64.4	-46.5	175.7	-68.9	175.2	0	0	0	111.9	L617 V618 N619 F623 G624 V625	L617-L621 HydrophobicContact CG-CD1 4.39Å; L617-L621 WeakPolarHBondContact O-CG 3.27Å; L617-L621 PolarHBondContact O-N 3.46Å; V618-L621 PolarHBondContact O-N 3.44Å; N619-L621 VanDerWaalsContact C-N 3.3Å; N619-L621 PolarHBondContact O-N 3.43Å; L621-F623 VanDerWaalsContact C-N 3.32Å; L621-F623 PolarHBondContact O-N 3.36Å; L621-G624 PolarHBondContact O-N 3.14Å; L621-V625 WeakPolarHBondContact O-CG2 3.37Å; L621-V625 PolarHBondContact O-N 3.04Å
622	A	77.8	Confident	80.4	Confident	17 Å²	17	65.5 Å²	65.5	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-43.8	176.7	0	0	0	0	0	111.5	V618 N619 V625 I626	V618-A622 WeakPolarHBondContact O-CB 3.49Å; V618-A622 PolarHBondContact O-N 3.45Å; N619-A622 PolarHBondContact O-N 3.28Å; N619-A622 VanDerWaalsContact O-N 3.16Å; A622-V625 PolarHBondContact O-N 3.26Å; A622-I626 WeakPolarHBondContact O-CD1 3.5Å; A622-I626 VanDerWaalsContact O-CG1 3.22Å; A622-I626 WeakPolarHBondContact O-CG1 3.31Å; A622-I626 PolarHBondContact O-N 3.03Å
623	F	75.7	Confident	79.4	Confident	13 Å²	13	70.6 Å²	70.6	6%	0.057	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-42	175.2	-81.6	-70.7	0	0	0	112.8	L549 N619 L620 L621 V625 I626 I627 A654 M655 L658	L549-F623 HydrophobicContact CD2-CD1 4.42Å; L549-F623 HydrophobicContact CD2-CE1 3.75Å; N619-F623 HydrophobicContact CB-CD2 4.42Å; N619-F623 HydrophobicContact CB-CE2 4.45Å; N619-F623 WeakPolarHBondContact O-CD2 3.44Å; N619-F623 PolarHBondContact O-N 3.19Å; L620-F623 PolarHBondContact O-N 3.4Å; L621-F623 VanDerWaalsContact C-N 3.32Å; L621-F623 PolarHBondContact O-N 3.36Å; F623-V625 VanDerWaalsContact C-N 3.3Å; F623-V625 PolarHBondContact O-N 3.24Å; F623-I626 HydrophobicContact CD1-CD1 4.34Å; F623-I626 WeakPolarHBondContact O-CB 3.49Å; F623-I626 PolarHBondContact O-N 3.18Å; F623-I626 VanDerWaalsContact O-N 3.16Å; F623-I627 WeakPolarHBondContact O-CG1 3.32Å; F623-I627 PolarHBondContact O-N 3.39Å; F623-A654 HydrophobicContact CE1-CB 3.68Å; F623-A654 HydrophobicContact CZ-CB 3.76Å; F623-M655 HydrophobicContact CD1-CG 4.4Å; F623-L658 HydrophobicContact CB-CD2 4.36Å; F623-L658 HydrophobicContact CD2-CB 4.42Å; F623-L658 HydrophobicContact CD2-CD1 4.14Å; F623-L658 HydrophobicContact CD2-CD2 3.27Å; F623-L658 HydrophobicContact CD2-CG 4.13Å; F623-L658 HydrophobicContact CE2-CB 3.94Å; F623-L658 HydrophobicContact CE2-CD1 3.94Å; F623-L658 HydrophobicContact CE2-CD2 3.65Å; F623-L658 HydrophobicContact CE2-CG 4.04Å; F623-L658 HydrophobicContact CG-CD2 3.92Å; F623-L658 HydrophobicContact CZ-CB 4.36Å
624	G	81.1	Confident	78.3	Confident	41 Å²	41	71 Å²	71	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-57.3	-43.7	175.2	0	0	0	0	0	112.1	L620 L621 I627 Y628	L620-G624 PolarHBondContact O-N 3.07Å; L621-G624 PolarHBondContact O-N 3.14Å; G624-I627 PolarHBondContact O-N 3.49Å; G624-Y628 WeakPolarHBondContact O-CB 3.5Å; G624-Y628 PolarHBondContact O-N 3.21Å
625	V	81.4	Confident	77.1	Confident	70 Å²	70	69.3 Å²	69.3	42%	0.424	36%	0.359	S	S	.	.	H	α-helix	trans	-66.7	-40.7	175.5	177.8	0	0	0	0	111.7	Y550 L621 A622 F623 Y628 K629	Y550-V625 HydrophobicContact CD2-CG1 4.46Å; Y550-V625 HydrophobicContact CE2-CB 4.47Å; Y550-V625 HydrophobicContact CE2-CG1 3.84Å; L621-V625 WeakPolarHBondContact O-CG2 3.37Å; L621-V625 PolarHBondContact O-N 3.04Å; A622-V625 PolarHBondContact O-N 3.26Å; F623-V625 VanDerWaalsContact C-N 3.3Å; F623-V625 PolarHBondContact O-N 3.24Å; V625-Y628 PolarHBondContact O-N 2.84Å; V625-K629 VanDerWaalsContact O-CB 3.29Å; V625-K629 WeakPolarHBondContact O-CB 3.37Å; V625-K629 PolarHBondContact O-N 3.4Å
626	I	76.1	Confident	76.1	Confident	5 Å²	5	72.5 Å²	72.5	3%	0.026	38%	0.38	C	S	.	.	H	α-helix	trans	-60.1	-50.2	175.4	-69.8	158.3	0	0	0	110.4	L549 Y550 V553 A622 F623 Y628 K629 V630	L549-I626 HydrophobicContact CB-CD1 4.22Å; L549-I626 HydrophobicContact CD2-CD1 3.99Å; L549-I626 HydrophobicContact CG-CD1 3.87Å; Y550-I626 HydrophobicContact CD2-CG1 4.3Å; V553-I626 HydrophobicContact CG2-CG2 4.12Å; A622-I626 WeakPolarHBondContact O-CD1 3.5Å; A622-I626 VanDerWaalsContact O-CG1 3.22Å; A622-I626 WeakPolarHBondContact O-CG1 3.31Å; A622-I626 PolarHBondContact O-N 3.03Å; F623-I626 HydrophobicContact CD1-CD1 4.34Å; F623-I626 WeakPolarHBondContact O-CB 3.49Å; F623-I626 PolarHBondContact O-N 3.18Å; F623-I626 VanDerWaalsContact O-N 3.16Å; I626-Y628 PolarHBondContact O-N 3.29Å; I626-K629 PolarHBondContact O-N 3.11Å; I626-V630 HydrophobicContact CG2-CG2 4.06Å; I626-V630 VanDerWaalsContact O-CB 3.31Å; I626-V630 WeakPolarHBondContact O-CB 3.47Å; I626-V630 WeakPolarHBondContact O-CG2 3.1Å; I626-V630 PolarHBondContact O-N 3.09Å
627	I	75.2	Confident	74.6	Confident	92 Å²	92	78.5 Å²	78.5	47%	0.472	41%	0.405	S	S	.	.	H	α-helix	trans	-60.7	-47.5	179.8	-69.2	170.9	0	0	0	110.2	F623 G624 K629 V630 Y631 M655	F623-I627 WeakPolarHBondContact O-CG1 3.32Å; F623-I627 PolarHBondContact O-N 3.39Å; G624-I627 PolarHBondContact O-N 3.49Å; I627-K629 VanDerWaalsContact C-N 3.34Å; I627-K629 PolarHBondContact O-N 3.47Å; I627-V630 PolarHBondContact O-N 3.43Å; I627-Y631 VanDerWaalsContact O-CB 3.22Å; I627-Y631 WeakPolarHBondContact O-CB 3.4Å; I627-Y631 PolarHBondContact O-N 3.49Å; I627-M655 HydrophobicContact CD1-SD 4.09Å
628	Y	81.8	Confident	72.9	Confident	152 Å²	152	84.2 Å²	84.2	60%	0.596	43%	0.426	S	S	*	.	H	α-helix	trans	-56.7	-48	177.4	175.2	-98.3	0	0	0	111.6	G624 V625 I626 R632	G624-Y628 WeakPolarHBondContact O-CB 3.5Å; G624-Y628 PolarHBondContact O-N 3.21Å; V625-Y628 PolarHBondContact O-N 2.84Å; I626-Y628 PolarHBondContact O-N 3.29Å; Y628-R632 HydrophobicContact CE1-CG 4.33Å; Y628-R632 HydrophobicContact CE2-CG 4.41Å; Y628-R632 WeakPolarHBondContact O-CB 3.42Å; Y628-R632 PolarHBondContact O-N 3.01Å
629	K	74.3	Confident	71.5	Confident	60 Å²	60	84.5 Å²	84.5	26%	0.261	43%	0.429	S	S	.	.	H	α-helix	trans	-70.2	-39.4	-178.4	-169.5	168.8	177.2	165.5	0	112.4	V553 V554 V625 I626 I627 H633	V553-K629 HydrophobicContact CG1-CB 4.49Å; V553-K629 HydrophobicContact CG1-CD 4.28Å; V553-K629 HydrophobicContact CG1-CG 4.4Å; V554-K629 HydrophobicContact CG2-CD 4.26Å; V625-K629 VanDerWaalsContact O-CB 3.29Å; V625-K629 WeakPolarHBondContact O-CB 3.37Å; V625-K629 PolarHBondContact O-N 3.4Å; I626-K629 PolarHBondContact O-N 3.11Å; I627-K629 VanDerWaalsContact C-N 3.34Å; I627-K629 PolarHBondContact O-N 3.47Å; K629-H633 WeakPolarHBondContact O-CB 3.48Å; K629-H633 PolarHBondContact O-N 2.96Å
630	V	71.7	Confident	70.2	Confident	40 Å²	40	92.6 Å²	92.6	24%	0.242	47%	0.467	C	S	.	.	H	α-helix	trans	-62.7	-51.7	174.3	169.1	0	0	0	0	109.8	V553 I626 I627 R632 H633 T634	V553-V630 HydrophobicContact CG1-CG2 4.13Å; I626-V630 HydrophobicContact CG2-CG2 4.06Å; I626-V630 VanDerWaalsContact O-CB 3.31Å; I626-V630 WeakPolarHBondContact O-CB 3.47Å; I626-V630 WeakPolarHBondContact O-CG2 3.1Å; I626-V630 PolarHBondContact O-N 3.09Å; I627-V630 PolarHBondContact O-N 3.43Å; V630-R632 VanDerWaalsContact C-N 3.35Å; V630-R632 PolarHBondContact O-N 3.24Å; V630-H633 PolarHBondContact O-N 3.4Å; V630-H633 VanDerWaalsContact O-N 3.09Å; V630-T634 PolarHBondContact O-N 3.33Å; V630-T634 PolarHBondContact O-OG1 2.9Å
631	Y	73	Confident	69	Low	167 Å²	167	94.2 Å²	94.2	66%	0.655	48%	0.475	S	S	*	.	H	α-helix	trans	-56	-47.3	177	178.1	-98.2	0	0	0	112	I627 H633 T634 A635	I627-Y631 VanDerWaalsContact O-CB 3.22Å; I627-Y631 WeakPolarHBondContact O-CB 3.4Å; I627-Y631 PolarHBondContact O-N 3.49Å; Y631-H633 VanDerWaalsContact C-N 3.33Å; Y631-H633 PolarHBondContact O-N 2.99Å; Y631-T634 PolarHBondContact O-N 2.89Å; Y631-A635 WeakPolarHBondContact O-CB 3.46Å; Y631-A635 PolarHBondContact O-N 3.33Å
632	R	72.2	Confident	67.5	Low	132 Å²	132	92.9 Å²	92.9	50%	0.498	48%	0.475	S	S	.	.	H	α-helix	trans	-61.3	-37	175.7	-96.3	-135	56.6	174.2	-5.8	113.5	Y628 V630 V636	Y628-R632 HydrophobicContact CE1-CG 4.33Å; Y628-R632 HydrophobicContact CE2-CG 4.41Å; Y628-R632 WeakPolarHBondContact O-CB 3.42Å; Y628-R632 PolarHBondContact O-N 3.01Å; V630-R632 VanDerWaalsContact C-N 3.35Å; V630-R632 PolarHBondContact O-N 3.24Å; R632-V636 VanDerWaalsContact O-CG2 3.26Å; R632-V636 WeakPolarHBondContact O-CG2 3.36Å
633	H	66.8	Low	66.6	Low	112 Å²	112	98.3 Å²	98.3	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-72.3	-37.5	177.2	-103	-92.8	0	0	0	112.3	K629 V630 Y631 A635 V636 K637	K629-H633 WeakPolarHBondContact O-CB 3.48Å; K629-H633 PolarHBondContact O-N 2.96Å; V630-H633 PolarHBondContact O-N 3.4Å; V630-H633 VanDerWaalsContact O-N 3.09Å; Y631-H633 VanDerWaalsContact C-N 3.33Å; Y631-H633 PolarHBondContact O-N 2.99Å; H633-A635 VanDerWaalsContact C-N 3.35Å; H633-V636 PolarHBondContact O-N 3.45Å; H633-K637 PolarHBondContact O-N 3.25Å
634	T	61.7	Low	65.9	Low	64 Å²	64	100.7 Å²	100.7	39%	0.393	51%	0.506	S	S	.	.	H	α-helix	trans	-67.9	-33.5	176.7	-47	0	0	0	0	112.4	V630 Y631 Y644	V630-T634 PolarHBondContact O-N 3.33Å; V630-T634 PolarHBondContact O-OG1 2.9Å; Y631-T634 PolarHBondContact O-N 2.89Å; T634-Y644 WeakPolarHBondContact CG2-OH 3.42Å; T634-Y644 PolarHBondContact OG1-OH 3.15Å
635	A	62.9	Low	65	Low	75 Å²	75	103.6 Å²	103.6	62%	0.62	51%	0.509	S	S	*	.	H	α-helix	trans	-76.5	-20.2	179.5	0	0	0	0	0	114.1	Y631 H633	Y631-A635 WeakPolarHBondContact O-CB 3.46Å; Y631-A635 PolarHBondContact O-N 3.33Å; H633-A635 VanDerWaalsContact C-N 3.35Å
636	V	63.8	Low	64	Low	98 Å²	98	103.9 Å²	103.9	59%	0.594	51%	0.508	S	S	*	.	H	α-helix	trans	-111.7	-18.2	-167.9	177.5	0	0	0	0	114.1	R632 H633	R632-V636 VanDerWaalsContact O-CG2 3.26Å; R632-V636 WeakPolarHBondContact O-CG2 3.36Å; H633-V636 PolarHBondContact O-N 3.45Å
637	K	51.7	Low	63.5	Low	149 Å²	149	105.6 Å²	105.6	65%	0.648	52%	0.517	S	S	*	.	S	Bend	trans	-136	137.9	-180	-80.6	-177.7	173.7	-177.1	0	112.7	H633 P639	H633-K637 PolarHBondContact O-N 3.25Å; K637-P639 WeakPolarHBondContact O-CD 3.28Å
638	K	50.3	Low	63.2	Low	214 Å²	214	109.8 Å²	109.8	93%	0.93	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-65.5	119.4	162.9	-86.3	-177.1	175.2	178.7	0	108.6
639	P	55.3	Low	62.2	Low	68 Å²	68	104.3 Å²	104.3	44%	0.442	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-87.5	145.9	-173.5	32.2	-30.9	0	0	0	112.3	K637 I641 Y644	K637-P639 WeakPolarHBondContact O-CD 3.28Å; P639-I641 PolarHBondContact O-N 2.65Å; P639-Y644 HydrophobicContact CB-CD2 4.43Å; P639-Y644 HydrophobicContact CB-CG 4.11Å; P639-Y644 HydrophobicContact CG-CD1 4.36Å; P639-Y644 HydrophobicContact CG-CG 4.41Å
640	E	53.6	Low	61.8	Low	169 Å²	169	102.3 Å²	102.3	79%	0.79	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-61.3	124.7	155.6	-71.8	-178.4	164.8	0	0	108.6	S642	E640-S642 PolarHBondContact O-N 2.97Å
641	I	57.1	Low	61.6	Low	127 Å²	127	101.2 Å²	101.2	65%	0.651	50%	0.5	S	S	*	.	H	α-helix	trans	-68.1	-30.3	-158.9	-63.3	164.8	0	0	0	112.9	P639 E645	P639-I641 PolarHBondContact O-N 2.65Å; I641-E645 WeakPolarHBondContact O-CG 3.34Å; I641-E645 PolarHBondContact O-N 3.23Å
642	S	54.9	Low	61.5	Low	86 Å²	86	100 Å²	100	60%	0.601	49%	0.494	S	S	*	.	H	α-helix	trans	-84.7	-36.3	-169	67.8	0	0	0	0	115.7	E640 N646	E640-S642 PolarHBondContact O-N 2.97Å; S642-N646 PolarHBondContact O-ND2 2.89Å; S642-N646 VanDerWaalsContact O-ND2 3.13Å
643	H	57.4	Low	61.4	Low	131 Å²	131	94.7 Å²	94.7	61%	0.606	48%	0.48	S	S	*	.	H	α-helix	trans	-75.7	-34.8	179.6	-163.8	59	0	0	0	111.3	I647	H643-I647 WeakPolarHBondContact O-CG1 3.39Å; H643-I647 PolarHBondContact O-N 3.42Å
644	Y	61.5	Low	61.5	Low	62 Å²	62	89.5 Å²	89.5	24%	0.243	46%	0.456	C	S	.	.	H	α-helix	trans	-71.3	-38.8	-179.3	-177.1	-100.2	0	0	0	113.1	T634 P639 N646 I647 R648	T634-Y644 WeakPolarHBondContact CG2-OH 3.42Å; T634-Y644 PolarHBondContact OG1-OH 3.15Å; P639-Y644 HydrophobicContact CB-CD2 4.43Å; P639-Y644 HydrophobicContact CB-CG 4.11Å; P639-Y644 HydrophobicContact CG-CD1 4.36Å; P639-Y644 HydrophobicContact CG-CG 4.41Å; Y644-N646 VanDerWaalsContact C-N 3.33Å; Y644-N646 PolarHBondContact O-N 2.98Å; Y644-I647 PolarHBondContact O-N 3.45Å; Y644-R648 PolarHBondContact O-N 2.95Å
645	E	61.9	Low	62	Low	102 Å²	102	90.3 Å²	90.3	48%	0.477	46%	0.456	S	S	.	.	H	α-helix	trans	-62.4	-38.7	175.2	-79	-170.9	176.1	0	0	112.8	I641 R648 S649	I641-E645 WeakPolarHBondContact O-CG 3.34Å; I641-E645 PolarHBondContact O-N 3.23Å; E645-R648 PolarHBondContact O-N 3.37Å; E645-S649 WeakPolarHBondContact O-CB 3.49Å; E645-S649 PolarHBondContact O-N 3.06Å
646	N	61.1	Low	62.5	Low	77 Å²	77	87.4 Å²	87.4	41%	0.412	43%	0.433	S	S	.	.	H	α-helix	trans	-65.7	-37.2	176.1	-85.9	-57.4	0	0	0	112.7	S642 Y644 C650 K704	S642-N646 PolarHBondContact O-ND2 2.89Å; S642-N646 VanDerWaalsContact O-ND2 3.13Å; Y644-N646 VanDerWaalsContact C-N 3.33Å; Y644-N646 PolarHBondContact O-N 2.98Å; N646-C650 WeakPolarHBondContact O-CB 3.45Å; N646-C650 PolarHBondContact O-N 3.44Å; N646-C650 VanDerWaalsContact O-N 3.16Å; N646-K704 VanDerWaalsContact OD1-CE 3.28Å; N646-K704 WeakPolarHBondContact OD1-CE 3.39Å
647	I	65.8	Low	62.9	Low	41 Å²	41	82.8 Å²	82.8	21%	0.21	41%	0.405	C	S	.	.	H	α-helix	trans	-70.8	-43.1	176.5	-66.6	167.5	0	0	0	110.6	H643 Y644 C650 A651	H643-I647 WeakPolarHBondContact O-CG1 3.39Å; H643-I647 PolarHBondContact O-N 3.42Å; Y644-I647 PolarHBondContact O-N 3.45Å; I647-C650 WeakPolarHBondContact O-CB 3.39Å; I647-C650 PolarHBondContact O-N 2.99Å; I647-A651 PolarHBondContact O-N 2.92Å
648	R	67.6	Low	64	Low	179 Å²	179	76.6 Å²	76.6	68%	0.675	38%	0.378	S	S	*	.	H	α-helix	trans	-62.5	-43.4	177	-174.8	179.7	-177.8	-179.4	1.7	112.4	Y644 E645 C650 A651 R652	Y644-R648 PolarHBondContact O-N 2.95Å; E645-R648 PolarHBondContact O-N 3.37Å; R648-C650 VanDerWaalsContact C-N 3.33Å; R648-A651 PolarHBondContact O-N 3.47Å; R648-R652 PolarHBondContact O-N 3.47Å; R648-R652 VanDerWaalsContact O-N 3.1Å
649	S	62.8	Low	65.2	Low	38 Å²	38	73.6 Å²	73.6	27%	0.266	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-40	176.6	-169.7	0	0	0	0	111.6	E645 R652 G653	E645-S649 WeakPolarHBondContact O-CB 3.49Å; E645-S649 PolarHBondContact O-N 3.06Å; S649-R652 PolarHBondContact O-N 3.05Å; S649-G653 PolarHBondContact O-N 3.31Å
650	C	64.5	Low	66.3	Low	17 Å²	17	71.2 Å²	71.2	12%	0.115	35%	0.35	C	S	.	.	H	α-helix	trans	-65.2	-46	174.8	-178.9	0	0	0	0	113.3	R493 N646 I647 R648 R652 G653 A654	R493-C650 PolarHBondContact NE-SG 3.12Å; R493-C650 VanDerWaalsContact NE-SG 3.42Å; R493-C650 PolarHBondContact NH1-SG 3.25Å; R493-C650 PolarHBondContact NH2-SG 3.34Å; N646-C650 WeakPolarHBondContact O-CB 3.45Å; N646-C650 PolarHBondContact O-N 3.44Å; N646-C650 VanDerWaalsContact O-N 3.16Å; I647-C650 WeakPolarHBondContact O-CB 3.39Å; I647-C650 PolarHBondContact O-N 2.99Å; R648-C650 VanDerWaalsContact C-N 3.33Å; C650-R652 PolarHBondContact O-N 2.96Å; C650-G653 PolarHBondContact O-N 3.49Å; C650-A654 PolarHBondContact O-N 3.01Å
651	A	67.4	Low	67.4	Low	18 Å²	18	63.2 Å²	63.2	15%	0.149	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-37.6	179.3	0	0	0	0	0	110.9	I647 R648 A654 M655	I647-A651 PolarHBondContact O-N 2.92Å; R648-A651 PolarHBondContact O-N 3.47Å; A651-A654 PolarHBondContact O-N 2.92Å; A651-M655 WeakPolarHBondContact O-CB 3.48Å; A651-M655 WeakPolarHBondContact O-CE 3.42Å; A651-M655 VanDerWaalsContact O-CG 3.26Å; A651-M655 WeakPolarHBondContact O-CG 3.22Å; A651-M655 PolarHBondContact O-N 3.3Å
652	R	71.9	Confident	68.4	Low	142 Å²	142	57.6 Å²	57.6	54%	0.536	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-42.8	175.3	-172.5	175.3	64.8	173.6	3.4	113	R648 S649 C650 M655 A656	R648-R652 PolarHBondContact O-N 3.47Å; R648-R652 VanDerWaalsContact O-N 3.1Å; S649-R652 PolarHBondContact O-N 3.05Å; C650-R652 PolarHBondContact O-N 2.96Å; R652-M655 HydrophobicContact CB-CE 4.49Å; R652-A656 PolarHBondContact O-N 3.35Å; R652-A656 VanDerWaalsContact O-N 3.12Å
653	G	68.8	Low	69.6	Low	19 Å²	19	54.4 Å²	54.4	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-45.5	176.3	0	0	0	0	0	112.7	S649 C650 M655 A656 L657	S649-G653 PolarHBondContact O-N 3.31Å; C650-G653 PolarHBondContact O-N 3.49Å; G653-M655 PolarHBondContact O-N 3.36Å; G653-A656 PolarHBondContact O-N 2.84Å; G653-L657 WeakPolarHBondContact O-CG 3.42Å; G653-L657 PolarHBondContact O-N 3.36Å
654	A	69.9	Low	70.9	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-66.8	-36	179.3	0	0	0	0	0	112.8	L549 F623 C650 A651 L657 L658	L549-A654 HydrophobicContact CD2-CB 3.73Å; F623-A654 HydrophobicContact CE1-CB 3.68Å; F623-A654 HydrophobicContact CZ-CB 3.76Å; C650-A654 PolarHBondContact O-N 3.01Å; A651-A654 PolarHBondContact O-N 2.92Å; A654-L657 PolarHBondContact O-N 3.41Å; A654-L658 WeakPolarHBondContact O-CB 3.36Å; A654-L658 PolarHBondContact O-N 2.96Å
655	M	71.7	Confident	72	Confident	81 Å²	81	46.8 Å²	46.8	40%	0.399	23%	0.231	S	C	.	.	H	α-helix	trans	-65.2	-40.5	172.3	-75.9	-175.4	-61.3	0	0	112.3	F623 I627 A651 R652 G653 F659	F623-M655 HydrophobicContact CD1-CG 4.4Å; I627-M655 HydrophobicContact CD1-SD 4.09Å; A651-M655 WeakPolarHBondContact O-CB 3.48Å; A651-M655 WeakPolarHBondContact O-CE 3.42Å; A651-M655 VanDerWaalsContact O-CG 3.26Å; A651-M655 WeakPolarHBondContact O-CG 3.22Å; A651-M655 PolarHBondContact O-N 3.3Å; R652-M655 HydrophobicContact CB-CE 4.49Å; G653-M655 PolarHBondContact O-N 3.36Å; M655-F659 PolarHBondContact O-N 2.85Å
656	A	73.8	Confident	73	Confident	15 Å²	15	45.9 Å²	45.9	12%	0.124	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-41.6	177	0	0	0	0	0	111.5	R652 G653 F659 V660 F697	R652-A656 PolarHBondContact O-N 3.35Å; R652-A656 VanDerWaalsContact O-N 3.12Å; G653-A656 PolarHBondContact O-N 2.84Å; A656-F659 PolarHBondContact O-N 3.28Å; A656-V660 WeakPolarHBondContact O-CB 3.49Å; A656-V660 WeakPolarHBondContact O-CG2 3.42Å; A656-V660 PolarHBondContact O-N 3.25Å; A656-F697 HydrophobicContact CB-CB 4.31Å; A656-F697 HydrophobicContact CB-CD1 3.4Å; A656-F697 VanDerWaalsContact CB-CD1 3.4Å; A656-F697 HydrophobicContact CB-CD2 3.81Å; A656-F697 HydrophobicContact CB-CE1 3.54Å; A656-F697 HydrophobicContact CB-CE2 3.94Å; A656-F697 HydrophobicContact CB-CG 3.57Å; A656-F697 HydrophobicContact CB-CZ 3.81Å
657	L	72.2	Confident	74.3	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-41	176.9	-70.5	164.6	0	0	0	112.9	E545 G653 A654 F659 V660 L661 I694 L698	E545-L657 WeakPolarHBondContact OE1-CD1 3.48Å; G653-L657 WeakPolarHBondContact O-CG 3.42Å; G653-L657 PolarHBondContact O-N 3.36Å; A654-L657 PolarHBondContact O-N 3.41Å; L657-F659 VanDerWaalsContact C-N 3.32Å; L657-F659 PolarHBondContact O-N 3.46Å; L657-V660 PolarHBondContact O-N 3.43Å; L657-L661 PolarHBondContact O-N 3.43Å; L657-L661 VanDerWaalsContact O-N 3.13Å; L657-I694 HydrophobicContact CD2-CB 4.41Å; L657-I694 HydrophobicContact CD2-CG1 3.94Å; L657-I694 HydrophobicContact CD2-CG2 4.17Å; L657-L698 HydrophobicContact CD1-CD2 3.68Å; L657-L698 HydrophobicContact CD1-CG 4.21Å; L657-L698 HydrophobicContact CD2-CD1 4.33Å; L657-L698 HydrophobicContact CD2-CG 4.2Å
658	L	74.4	Confident	75	Confident	18 Å²	18	43.5 Å²	43.5	9%	0.094	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-43.4	173.9	-177.9	71.3	0	0	0	111.4	M542 N619 L620 F623 A654 G662	M542-L658 HydrophobicContact SD-CD1 4.26Å; N619-L658 HydrophobicContact CB-CD1 3.7Å; L620-L658 HydrophobicContact CD2-CD2 3.72Å; L620-L658 HydrophobicContact CD2-CG 4.46Å; L620-L658 HydrophobicContact CG-CD2 4.46Å; F623-L658 HydrophobicContact CB-CD2 4.36Å; F623-L658 HydrophobicContact CD2-CB 4.42Å; F623-L658 HydrophobicContact CD2-CD1 4.14Å; F623-L658 HydrophobicContact CD2-CD2 3.27Å; F623-L658 HydrophobicContact CD2-CG 4.13Å; F623-L658 HydrophobicContact CE2-CB 3.94Å; F623-L658 HydrophobicContact CE2-CD1 3.94Å; F623-L658 HydrophobicContact CE2-CD2 3.65Å; F623-L658 HydrophobicContact CE2-CG 4.04Å; F623-L658 HydrophobicContact CG-CD2 3.92Å; F623-L658 HydrophobicContact CZ-CB 4.36Å; A654-L658 WeakPolarHBondContact O-CB 3.36Å; A654-L658 PolarHBondContact O-N 2.96Å; L658-G662 VanDerWaalsContact O-CA 3.23Å; L658-G662 WeakPolarHBondContact O-CA 3.38Å; L658-G662 PolarHBondContact O-N 2.94Å
659	F	75.6	Confident	75.7	Confident	152 Å²	152	36.8 Å²	36.8	67%	0.667	20%	0.197	S	C	*	.	H	α-helix	trans	-70.5	-40.6	179.4	-170.5	-96.7	0	0	0	111.8	M655 A656 L657 A663	M655-F659 PolarHBondContact O-N 2.85Å; A656-F659 PolarHBondContact O-N 3.28Å; L657-F659 VanDerWaalsContact C-N 3.32Å; L657-F659 PolarHBondContact O-N 3.46Å; F659-A663 HydrophobicContact CE1-CB 4.34Å; F659-A663 HydrophobicContact CZ-CB 4.46Å; F659-A663 WeakPolarHBondContact O-CA 3.13Å; F659-A663 WeakPolarHBondContact O-CB 3.47Å; F659-A663 PolarHBondContact O-N 2.95Å
660	V	78.8	Confident	76.5	Confident	17 Å²	17	38 Å²	38	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-55.6	180	167.1	0	0	0	0	111.2	A656 L657 T664 Q690 F693 I694 F697	A656-V660 WeakPolarHBondContact O-CB 3.49Å; A656-V660 WeakPolarHBondContact O-CG2 3.42Å; A656-V660 PolarHBondContact O-N 3.25Å; L657-V660 PolarHBondContact O-N 3.43Å; V660-T664 PolarHBondContact O-N 2.98Å; V660-T664 PolarHBondContact O-OG1 3.36Å; V660-Q690 HydrophobicContact CG1-CG 3.8Å; V660-F693 HydrophobicContact CG1-CB 4.04Å; V660-F693 HydrophobicContact CG2-CB 3.89Å; V660-F693 HydrophobicContact CG2-CG 4.5Å; V660-I694 HydrophobicContact CG1-CG1 4.35Å; V660-F697 HydrophobicContact CG2-CD2 4.26Å; V660-F697 HydrophobicContact CG2-CE2 4.05Å
661	L	75.8	Confident	77.2	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-76.5	-32.4	178.9	-81.9	93.8	0	0	0	112.7	L504 M542 L657 W665 I694	L504-L661 HydrophobicContact CD1-CD2 4.27Å; L504-L661 HydrophobicContact CD2-CD2 4.37Å; M542-L661 HydrophobicContact CE-CB 3.14Å; M542-L661 HydrophobicContact CE-CD1 3.54Å; M542-L661 HydrophobicContact CE-CD2 3.41Å; M542-L661 VanDerWaalsContact CE-CD2 3.41Å; M542-L661 HydrophobicContact CE-CG 3.49Å; M542-L661 VanDerWaalsContact CE-CG 3.49Å; M542-L661 HydrophobicContact SD-CB 4.49Å; L657-L661 PolarHBondContact O-N 3.43Å; L657-L661 VanDerWaalsContact O-N 3.13Å; L661-W665 VanDerWaalsContact O-CD1 3.31Å; L661-W665 PolarHBondContact O-N 3.28Å; L661-I694 HydrophobicContact CD1-CD1 3.92Å; L661-I694 HydrophobicContact CD1-CG1 4.42Å
662	G	78.6	Confident	77.5	Confident	10 Å²	10	43.2 Å²	43.2	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-42.2	177.6	0	0	0	0	0	112.4	L658 T666	L658-G662 VanDerWaalsContact O-CA 3.23Å; L658-G662 WeakPolarHBondContact O-CA 3.38Å; L658-G662 PolarHBondContact O-N 2.94Å; G662-T666 VanDerWaalsContact O-CB 3.32Å; G662-T666 WeakPolarHBondContact O-CB 3.38Å; G662-T666 PolarHBondContact O-N 3.21Å; G662-T666 PolarHBondContact O-OG1 2.92Å
663	A	80.1	Confident	77.5	Confident	18 Å²	18	42.1 Å²	42.1	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-68.5	-43.5	178.8	0	0	0	0	0	111.9	F659 W665 T666 F667	F659-A663 HydrophobicContact CE1-CB 4.34Å; F659-A663 HydrophobicContact CZ-CB 4.46Å; F659-A663 WeakPolarHBondContact O-CA 3.13Å; F659-A663 WeakPolarHBondContact O-CB 3.47Å; F659-A663 PolarHBondContact O-N 2.95Å; A663-W665 VanDerWaalsContact C-N 3.31Å; A663-W665 PolarHBondContact O-N 3.03Å; A663-T666 PolarHBondContact O-N 2.87Å; A663-F667 HydrophobicContact CB-CE2 4.33Å; A663-F667 WeakPolarHBondContact O-CD2 3.23Å; A663-F667 WeakPolarHBondContact O-CG 3.49Å; A663-F667 PolarHBondContact O-N 3.44Å
664	T	85.9	Confident	77.5	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-53.4	-49.2	177.3	-59.3	0	0	0	0	111.3	V660 F667 G668 F683 T686 N687 Q690	V660-T664 PolarHBondContact O-N 2.98Å; V660-T664 PolarHBondContact O-OG1 3.36Å; T664-F667 PolarHBondContact O-N 2.74Å; T664-G668 PolarHBondContact O-N 3.37Å; T664-F683 HydrophobicContact CG2-CE2 4.39Å; T664-F683 WeakPolarHBondContact O-CD2 3.26Å; T664-T686 PolarHBondContact OG1-O 3.29Å; T664-N687 HydrophobicContact CG2-CB 3.61Å; T664-Q690 PolarHBondContact OG1-OE1 3.28Å
665	W	83.8	Confident	77.5	Confident	32 Å²	32	55.1 Å²	55.1	12%	0.121	28%	0.28	C	S	.	.	H	α-helix	trans	-82.2	-23.1	-176.9	-71.5	95.3	0	0	0	113.9	F535 F539 F608 I616 L661 A663 G668 V669	F535-W665 AromaticContact CD1-CZ2 3.77Å; F535-W665 HydrophobicContact CD1-CZ2 3.77Å; F535-W665 HydrophobicContact CE1-CZ2 4.05Å; F535-W665 HydrophobicContact CG-CZ2 4.06Å; F539-W665 HydrophobicContact CE1-CG 4.4Å; F539-W665 HydrophobicContact CE2-CD2 4.29Å; F539-W665 HydrophobicContact CE2-CG 4.33Å; F539-W665 AromaticContact CE2-NE1 3.95Å; F539-W665 HydrophobicContact CZ-CB 4.14Å; F539-W665 AromaticContact CZ-CD1 3.31Å; F539-W665 AromaticContact CZ-CD2 3.92Å; F539-W665 HydrophobicContact CZ-CD2 3.92Å; F539-W665 AromaticContact CZ-CE2 3.91Å; F539-W665 AromaticContact CZ-CG 3.51Å; F539-W665 HydrophobicContact CZ-CG 3.51Å; F539-W665 AromaticContact CZ-NE1 3.52Å; F608-W665 HydrophobicContact CD1-CZ3 4.31Å; F608-W665 HydrophobicContact CE1-CD2 4.44Å; F608-W665 AromaticContact CE1-CE3 3.67Å; F608-W665 HydrophobicContact CE1-CE3 3.67Å; F608-W665 AromaticContact CE1-CH2 3.48Å; F608-W665 HydrophobicContact CE1-CH2 3.48Å; F608-W665 VanDerWaalsContact CE1-CH2 3.48Å; F608-W665 HydrophobicContact CE1-CZ2 4.26Å; F608-W665 AromaticContact CE1-CZ3 3.17Å; F608-W665 HydrophobicContact CE1-CZ3 3.17Å; F608-W665 HydrophobicContact CZ-CD2 4.37Å; F608-W665 HydrophobicContact CZ-CE3 4.02Å; F608-W665 AromaticContact CZ-CH2 3.34Å; F608-W665 HydrophobicContact CZ-CH2 3.34Å; F608-W665 AromaticContact CZ-CZ2 3.74Å; F608-W665 HydrophobicContact CZ-CZ2 3.74Å; F608-W665 AromaticContact CZ-CZ3 3.54Å; F608-W665 HydrophobicContact CZ-CZ3 3.54Å; I616-W665 HydrophobicContact CD1-CB 4.49Å; L661-W665 VanDerWaalsContact O-CD1 3.31Å; L661-W665 PolarHBondContact O-N 3.28Å; A663-W665 VanDerWaalsContact C-N 3.31Å; A663-W665 PolarHBondContact O-N 3.03Å; W665-G668 PolarHBondContact O-N 2.88Å; W665-V669 WeakPolarHBondContact O-CG2 3.4Å; W665-V669 PolarHBondContact O-N 3.09Å
666	T	83.4	Confident	77.5	Confident	83 Å²	83	54.1 Å²	54.1	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-44.3	167.6	-59	0	0	0	0	110.7	G662 A663 G668 V669 L670	G662-T666 VanDerWaalsContact O-CB 3.32Å; G662-T666 WeakPolarHBondContact O-CB 3.38Å; G662-T666 PolarHBondContact O-N 3.21Å; G662-T666 PolarHBondContact O-OG1 2.92Å; A663-T666 PolarHBondContact O-N 2.87Å; T666-G668 VanDerWaalsContact C-N 3.33Å; T666-V669 PolarHBondContact O-N 2.88Å; T666-L670 WeakPolarHBondContact O-CB 3.45Å; T666-L670 PolarHBondContact O-N 3.42Å
667	F	86.5	Confident	77.3	Confident	63 Å²	63	58 Å²	58	28%	0.276	30%	0.301	S	S	.	.	H	α-helix	trans	-67.1	-33.7	173.6	-65.6	-46.3	0	0	0	112.5	A663 T664 L670 H671 L682 F683 T686	A663-F667 HydrophobicContact CB-CE2 4.33Å; A663-F667 WeakPolarHBondContact O-CD2 3.23Å; A663-F667 WeakPolarHBondContact O-CG 3.49Å; A663-F667 PolarHBondContact O-N 3.44Å; T664-F667 PolarHBondContact O-N 2.74Å; F667-L670 PolarHBondContact O-N 3.16Å; F667-H671 WeakPolarHBondContact O-CB 3.41Å; F667-H671 PolarHBondContact O-N 3.48Å; F667-L682 HydrophobicContact CG-CB 4.39Å; F667-F683 HydrophobicContact CB-CB 4.24Å; F667-T686 HydrophobicContact CD2-CG2 4.03Å; F667-T686 HydrophobicContact CE2-CG2 4.12Å
668	G	81.6	Confident	77.5	Confident	5 Å²	5	63.5 Å²	63.5	5%	0.052	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-45.7	172.9	0	0	0	0	0	113.1	T664 W665 T666 H671 I672	T664-G668 PolarHBondContact O-N 3.37Å; W665-G668 PolarHBondContact O-N 2.88Å; T666-G668 VanDerWaalsContact C-N 3.33Å; G668-H671 PolarHBondContact O-N 3.47Å; G668-I672 WeakPolarHBondContact O-CG1 3.23Å; G668-I672 PolarHBondContact O-N 3.47Å
669	V	81.4	Confident	77.7	Confident	37 Å²	37	63.1 Å²	63.1	22%	0.224	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-42.3	175	173.3	0	0	0	0	111.1	I609 W665 T666 H671 I672 L673	I609-V669 HydrophobicContact CD1-CG2 4.48Å; I609-V669 HydrophobicContact CG2-CG2 3.92Å; W665-V669 WeakPolarHBondContact O-CG2 3.4Å; W665-V669 PolarHBondContact O-N 3.09Å; T666-V669 PolarHBondContact O-N 2.88Å; V669-H671 VanDerWaalsContact C-N 3.28Å; V669-H671 PolarHBondContact O-N 2.96Å; V669-I672 PolarHBondContact O-N 2.83Å; V669-L673 HydrophobicContact CG1-CD1 3.85Å; V669-L673 HydrophobicContact CG1-CG 4.32Å; V669-L673 WeakPolarHBondContact O-CG 3.4Å; V669-L673 PolarHBondContact O-N 2.8Å
670	L	81.3	Confident	77.7	Confident	65 Å²	65	56.6 Å²	56.6	34%	0.34	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-37.8	177.6	-173	66.2	0	0	0	112.1	T666 F667 L673 H674 T679	T666-L670 WeakPolarHBondContact O-CB 3.45Å; T666-L670 PolarHBondContact O-N 3.42Å; F667-L670 PolarHBondContact O-N 3.16Å; L670-L673 PolarHBondContact O-N 3.29Å; L670-H674 PolarHBondContact O-N 2.92Å; L670-T679 HydrophobicContact CD2-CG2 3.78Å; L670-T679 HydrophobicContact CG-CG2 3.83Å
671	H	78.6	Confident	78	Confident	60 Å²	60	58.6 Å²	58.6	28%	0.278	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-43	174.8	178.8	55.8	0	0	0	112	F667 G668 V669 L673 E675 T679	F667-H671 WeakPolarHBondContact O-CB 3.41Å; F667-H671 PolarHBondContact O-N 3.48Å; G668-H671 PolarHBondContact O-N 3.47Å; V669-H671 VanDerWaalsContact C-N 3.28Å; V669-H671 PolarHBondContact O-N 2.96Å; H671-L673 VanDerWaalsContact C-N 3.3Å; H671-L673 PolarHBondContact O-N 3.16Å; H671-E675 WeakPolarHBondContact O-CA 3.46Å; H671-E675 PolarHBondContact O-N 2.9Å; H671-T679 PolarHBondContact ND1-OG1 3.42Å
672	I	73.1	Confident	78.5	Confident	84 Å²	84	61.7 Å²	61.7	43%	0.431	33%	0.325	S	S	.	.	H	α-helix	trans	-66	-32.5	176.9	-65.6	166.8	0	0	0	111.8	V605 I609 G668 V669	V605-I672 HydrophobicContact CG1-CD1 4.47Å; I609-I672 HydrophobicContact CD1-CD1 3.66Å; G668-I672 WeakPolarHBondContact O-CG1 3.23Å; G668-I672 PolarHBondContact O-N 3.47Å; V669-I672 PolarHBondContact O-N 2.83Å
673	L	71.6	Confident	78.8	Confident	119 Å²	119	63.4 Å²	63.4	62%	0.623	33%	0.33	S	S	*	.	H	α-helix	trans	-82.9	-34.9	-177.4	-71.2	173.9	0	0	0	114.1	V669 L670 H671	V669-L673 HydrophobicContact CG1-CD1 3.85Å; V669-L673 HydrophobicContact CG1-CG 4.32Å; V669-L673 WeakPolarHBondContact O-CG 3.4Å; V669-L673 PolarHBondContact O-N 2.8Å; L670-L673 PolarHBondContact O-N 3.29Å; H671-L673 VanDerWaalsContact C-N 3.3Å; H671-L673 PolarHBondContact O-N 3.16Å
674	H	69.4	Low	79.1	Confident	125 Å²	125	63.1 Å²	63.1	58%	0.579	33%	0.326	S	S	*	.	H	α-helix	trans	-115.3	-10.5	-171.1	-74	-114.5	0	0	0	114.5	L670 T676	L670-H674 PolarHBondContact O-N 2.92Å; H674-T676 HydrophobicContact CB-CG2 4.27Å; H674-T676 WeakPolarHBondContact O-CG2 3.32Å; H674-T676 PolarHBondContact O-N 3.39Å
675	E	69.6	Low	79.2	Confident	170 Å²	170	66.6 Å²	66.6	79%	0.794	34%	0.344	S	S	*	.			trans	44.7	39.7	178.5	-65.5	-168.6	167	0	0	115.2	H671	H671-E675 WeakPolarHBondContact O-CA 3.46Å; H671-E675 PolarHBondContact O-N 2.9Å
676	T	72	Confident	79.4	Confident	59 Å²	59	66.6 Å²	66.6	36%	0.362	35%	0.348	S	S	.	.			trans	-95.2	151	179.8	63.5	0	0	0	0	112.7	H674 L678 T679 A680	H674-T676 HydrophobicContact CB-CG2 4.27Å; H674-T676 WeakPolarHBondContact O-CG2 3.32Å; H674-T676 PolarHBondContact O-N 3.39Å; T676-L678 VanDerWaalsContact C-N 3.35Å; T676-L678 PolarHBondContact O-N 3.42Å; T676-T679 PolarHBondContact N-OG1 3.23Å; T676-T679 PolarHBondContact O-N 3.17Å; T676-T679 PolarHBondContact O-OG1 2.92Å; T676-T679 WeakPolarHBondContact OG1-CB 3.43Å; T676-T679 WeakPolarHBondContact OG1-CG2 3.49Å; T676-T679 PolarHBondContact OG1-N 3.21Å; T676-T679 PolarHBondContact OG1-OG1 3.49Å; T676-A680 PolarHBondContact O-N 3.28Å; T676-A680 VanDerWaalsContact O-N 3.14Å
677	T	69.6	Low	79.5	Confident	97 Å²	97	63.6 Å²	63.6	60%	0.595	33%	0.328	S	S	*	.	H	α-helix	trans	-59.5	-43.3	174.9	52.6	0	0	0	0	112.1	T679 A680 Y681	T677-T679 PolarHBondContact O-N 3.48Å; T677-A680 WeakPolarHBondContact O-CB 3.35Å; T677-A680 PolarHBondContact O-N 3.14Å; T677-Y681 VanDerWaalsContact O-CD2 3.28Å; T677-Y681 WeakPolarHBondContact O-CD2 3.25Å; T677-Y681 PolarHBondContact O-N 3.12Å; T677-Y681 VanDerWaalsContact O-N 3.07Å
678	L	77.3	Confident	79.6	Confident	116 Å²	116	60.6 Å²	60.6	61%	0.607	32%	0.315	S	S	*	.	H	α-helix	trans	-58.1	-45.9	177.7	179	64.2	0	0	0	112	T676 A680 Y681 L682	T676-L678 VanDerWaalsContact C-N 3.35Å; T676-L678 PolarHBondContact O-N 3.42Å; L678-A680 VanDerWaalsContact C-N 3.31Å; L678-A680 PolarHBondContact O-N 3.42Å; L678-Y681 PolarHBondContact O-N 3.09Å; L678-L682 HydrophobicContact CD1-CD1 4.22Å; L678-L682 HydrophobicContact CD1-CG 4.3Å; L678-L682 HydrophobicContact CG-CD1 4.05Å; L678-L682 WeakPolarHBondContact O-CG 3.35Å; L678-L682 PolarHBondContact O-N 3.34Å
679	T	76.9	Confident	80	Confident	10 Å²	10	63 Å²	63	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-66	-34.1	179.1	58.1	0	0	0	0	112.1	L670 H671 T676 T677 F683	L670-T679 HydrophobicContact CD2-CG2 3.78Å; L670-T679 HydrophobicContact CG-CG2 3.83Å; H671-T679 PolarHBondContact ND1-OG1 3.42Å; T676-T679 PolarHBondContact N-OG1 3.23Å; T676-T679 PolarHBondContact O-N 3.17Å; T676-T679 PolarHBondContact O-OG1 2.92Å; T676-T679 WeakPolarHBondContact OG1-CB 3.43Å; T676-T679 WeakPolarHBondContact OG1-CG2 3.49Å; T676-T679 PolarHBondContact OG1-N 3.21Å; T676-T679 PolarHBondContact OG1-OG1 3.49Å; T677-T679 PolarHBondContact O-N 3.48Å; T679-F683 VanDerWaalsContact O-CB 3.24Å; T679-F683 WeakPolarHBondContact O-CB 3.35Å; T679-F683 PolarHBondContact O-N 3.47Å
680	A	76.7	Confident	80.4	Confident	16 Å²	16	61.2 Å²	61.2	13%	0.132	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-44.4	174.3	0	0	0	0	0	112.4	T676 T677 L678 T684	T676-A680 PolarHBondContact O-N 3.28Å; T676-A680 VanDerWaalsContact O-N 3.14Å; T677-A680 WeakPolarHBondContact O-CB 3.35Å; T677-A680 PolarHBondContact O-N 3.14Å; L678-A680 VanDerWaalsContact C-N 3.31Å; L678-A680 PolarHBondContact O-N 3.42Å; A680-T684 WeakPolarHBondContact O-CB 3.31Å; A680-T684 PolarHBondContact O-N 3.24Å; A680-T684 PolarHBondContact O-OG1 3.38Å
681	Y	84.6	Confident	80.8	Confident	58 Å²	58	58.1 Å²	58.1	23%	0.227	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-46.3	176.5	-84.3	-79	0	0	0	112	H457 I460 L461 I464 T677 L678 T684 I685	H457-Y681 AromaticContact ND1-CE2 3.81Å; H457-Y681 AromaticContact ND1-CZ 3.84Å; H457-Y681 PolarHBondContact ND1-OH 3.46Å; I460-Y681 HydrophobicContact CG2-CE1 4.16Å; L461-Y681 HydrophobicContact CD1-CD1 3.97Å; L461-Y681 HydrophobicContact CD1-CE1 4.15Å; L461-Y681 HydrophobicContact CD1-CG 4.42Å; I464-Y681 HydrophobicContact CD1-CD1 4.4Å; I464-Y681 HydrophobicContact CD1-CE1 4.17Å; T677-Y681 VanDerWaalsContact O-CD2 3.28Å; T677-Y681 WeakPolarHBondContact O-CD2 3.25Å; T677-Y681 PolarHBondContact O-N 3.12Å; T677-Y681 VanDerWaalsContact O-N 3.07Å; L678-Y681 PolarHBondContact O-N 3.09Å; Y681-T684 PolarHBondContact O-N 3.24Å; Y681-I685 WeakPolarHBondContact O-CB 3.19Å; Y681-I685 VanDerWaalsContact O-CG1 3.28Å; Y681-I685 WeakPolarHBondContact O-CG1 3.29Å; Y681-I685 PolarHBondContact O-N 3.21Å
682	L	86.6	Confident	81.4	Confident	67 Å²	67	57.7 Å²	57.7	35%	0.351	30%	0.296	S	S	.	.	H	α-helix	trans	-61.7	-46.6	179	-71.3	175.1	0	0	0	111.7	F667 L678 T686	F667-L682 HydrophobicContact CG-CB 4.39Å; L678-L682 HydrophobicContact CD1-CD1 4.22Å; L678-L682 HydrophobicContact CD1-CG 4.3Å; L678-L682 HydrophobicContact CG-CD1 4.05Å; L678-L682 WeakPolarHBondContact O-CG 3.35Å; L678-L682 PolarHBondContact O-N 3.34Å; L682-T686 WeakPolarHBondContact O-CB 3.49Å; L682-T686 WeakPolarHBondContact O-CG2 3.37Å; L682-T686 PolarHBondContact O-N 3.1Å; L682-T686 VanDerWaalsContact O-N 3.08Å; L682-T686 PolarHBondContact O-OG1 3.2Å
683	F	85.8	Confident	82.1	Confident	46 Å²	46	57.6 Å²	57.6	20%	0.202	29%	0.293	C	S	.	.	H	α-helix	trans	-58.8	-48.2	175	172.2	-117.8	0	0	0	111.3	T664 F667 T679 T686 N687	T664-F683 HydrophobicContact CG2-CE2 4.39Å; T664-F683 WeakPolarHBondContact O-CD2 3.26Å; F667-F683 HydrophobicContact CB-CB 4.24Å; T679-F683 VanDerWaalsContact O-CB 3.24Å; T679-F683 WeakPolarHBondContact O-CB 3.35Å; T679-F683 PolarHBondContact O-N 3.47Å; F683-T686 PolarHBondContact O-OG1 2.7Å; F683-T686 VanDerWaalsContact O-OG1 3.09Å; F683-N687 WeakPolarHBondContact O-CB 3.45Å; F683-N687 PolarHBondContact O-N 3.14Å
684	T	85.7	Confident	82.9	Confident	12 Å²	12	52 Å²	52	7%	0.074	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-45.3	-176.8	-64.5	0	0	0	0	112.8	L461 I464 T465 A680 Y681 A688	L461-T684 VanDerWaalsContact CD1-CB 3.45Å; L461-T684 HydrophobicContact CD1-CG2 3.47Å; L461-T684 VanDerWaalsContact CD1-CG2 3.47Å; L461-T684 VanDerWaalsContact CD1-OG1 3.32Å; L461-T684 WeakPolarHBondContact CD1-OG1 3.38Å; L461-T684 HydrophobicContact CG-CG2 3.87Å; I464-T684 HydrophobicContact CG2-CG2 4.31Å; T465-T684 HydrophobicContact CG2-CG2 3.31Å; A680-T684 WeakPolarHBondContact O-CB 3.31Å; A680-T684 PolarHBondContact O-N 3.24Å; A680-T684 PolarHBondContact O-OG1 3.38Å; Y681-T684 PolarHBondContact O-N 3.24Å; T684-A688 WeakPolarHBondContact O-CB 3.12Å; T684-A688 PolarHBondContact O-N 2.95Å
685	I	88	Confident	83.8	Confident	75 Å²	75	47.8 Å²	47.8	39%	0.385	24%	0.244	S	C	.	.	H	α-helix	trans	-66.2	-46.3	-179.5	-69	167.4	0	0	0	110.4	I464 Y681 N687 A688 F689	I464-I685 HydrophobicContact CG2-CG1 4.17Å; Y681-I685 WeakPolarHBondContact O-CB 3.19Å; Y681-I685 VanDerWaalsContact O-CG1 3.28Å; Y681-I685 WeakPolarHBondContact O-CG1 3.29Å; Y681-I685 PolarHBondContact O-N 3.21Å; I685-N687 VanDerWaalsContact C-N 3.33Å; I685-N687 PolarHBondContact O-N 2.94Å; I685-A688 PolarHBondContact O-N 3.41Å; I685-F689 HydrophobicContact CG2-CD2 4.16Å; I685-F689 WeakPolarHBondContact O-CD2 3.44Å; I685-F689 PolarHBondContact O-N 3.03Å
686	T	87	Confident	84.6	Confident	32 Å²	32	42.4 Å²	42.4	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-37.9	-179.8	51.5	0	0	0	0	112.1	T664 F667 L682 F683 Q690	T664-T686 PolarHBondContact OG1-O 3.29Å; F667-T686 HydrophobicContact CD2-CG2 4.03Å; F667-T686 HydrophobicContact CE2-CG2 4.12Å; L682-T686 WeakPolarHBondContact O-CB 3.49Å; L682-T686 WeakPolarHBondContact O-CG2 3.37Å; L682-T686 PolarHBondContact O-N 3.1Å; L682-T686 VanDerWaalsContact O-N 3.08Å; L682-T686 PolarHBondContact O-OG1 3.2Å; F683-T686 PolarHBondContact O-OG1 2.7Å; F683-T686 VanDerWaalsContact O-OG1 3.09Å; T686-Q690 PolarHBondContact O-N 3.24Å
687	N	85.6	Confident	85.2	Confident	19 Å²	19	42.8 Å²	42.8	10%	0.102	22%	0.216	C	C	.	.	H	α-helix	trans	-70.3	-43.2	175.1	-165.9	53.1	0	0	0	112.4	T664 F683 I685 F689 Q690	T664-N687 HydrophobicContact CG2-CB 3.61Å; F683-N687 WeakPolarHBondContact O-CB 3.45Å; F683-N687 PolarHBondContact O-N 3.14Å; I685-N687 VanDerWaalsContact C-N 3.33Å; I685-N687 PolarHBondContact O-N 2.94Å; N687-F689 VanDerWaalsContact C-N 3.34Å; N687-F689 PolarHBondContact O-N 2.84Å; N687-Q690 WeakPolarHBondContact O-CB 3.22Å; N687-Q690 PolarHBondContact O-N 3.39Å
688	A	89.4	Confident	85.6	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-32.9	-175.8	0	0	0	0	0	113.2	G468 S472 T684 I685	G468-A688 CarbonylContact C-O 3.08Å; S472-A688 WeakPolarHBondContact CB-O 3.42Å; T684-A688 WeakPolarHBondContact O-CB 3.12Å; T684-A688 PolarHBondContact O-N 2.95Å; I685-A688 PolarHBondContact O-N 3.41Å
689	F	89.4	Confident	85.8	Confident	55 Å²	55	33.2 Å²	33.2	24%	0.241	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	11	179	-68.8	-73.8	0	0	0	113.8	I471 I685 N687 G691 M692 F693	I471-F689 HydrophobicContact CD1-CE1 4.17Å; I685-F689 HydrophobicContact CG2-CD2 4.16Å; I685-F689 WeakPolarHBondContact O-CD2 3.44Å; I685-F689 PolarHBondContact O-N 3.03Å; N687-F689 VanDerWaalsContact C-N 3.34Å; N687-F689 PolarHBondContact O-N 2.84Å; F689-G691 PolarHBondContact O-N 2.96Å; F689-M692 HydrophobicContact CB-CE 4.35Å; F689-M692 HydrophobicContact CD1-CE 4.1Å; F689-M692 HydrophobicContact CD1-SD 4.03Å; F689-M692 HydrophobicContact CG-CE 4.49Å; F689-M692 WeakPolarHBondContact O-CB 3.47Å; F689-M692 PolarHBondContact O-N 3.22Å; F689-F693 HydrophobicContact CB-CD2 4.26Å; F689-F693 HydrophobicContact CB-CE2 3.87Å; F689-F693 WeakPolarHBondContact O-CD2 3.42Å; F689-F693 PolarHBondContact O-N 3.4Å; F689-F693 VanDerWaalsContact O-N 3.13Å
690	Q	89.6	Confident	86.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.9	-49.4	-174.4	-169.3	-178.4	-79.6	0	0	112.4	V660 T664 T686 N687 M692 F693 I694	V660-Q690 HydrophobicContact CG1-CG 3.8Å; T664-Q690 PolarHBondContact OG1-OE1 3.28Å; T686-Q690 PolarHBondContact O-N 3.24Å; N687-Q690 WeakPolarHBondContact O-CB 3.22Å; N687-Q690 PolarHBondContact O-N 3.39Å; Q690-M692 VanDerWaalsContact C-N 3.31Å; Q690-M692 PolarHBondContact O-N 3.44Å; Q690-F693 PolarHBondContact O-N 3.27Å; Q690-I694 HydrophobicContact CG-CD1 4.17Å; Q690-I694 WeakPolarHBondContact O-CG1 3.4Å; Q690-I694 PolarHBondContact O-N 3.3Å
691	G	89.8	Confident	86	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-28.4	179	0	0	0	0	0	114	S472 F689 I694 F695	S472-G691 WeakPolarHBondContact OG-CA 3.1Å; S472-G691 PolarHBondContact OG-N 3.16Å; F689-G691 PolarHBondContact O-N 2.96Å; G691-I694 PolarHBondContact O-N 3.4Å; G691-F695 PolarHBondContact O-N 2.96Å
692	M	91.1	Very high	85.6	Confident	51 Å²	51	37.4 Å²	37.4	25%	0.251	19%	0.19	S	C	.	.	H	α-helix	trans	-63.7	-47.9	171.6	-174.4	-172.2	78.8	0	0	111	I471 F689 Q690 I694 F695 I696	I471-M692 HydrophobicContact CG2-SD 4.36Å; F689-M692 HydrophobicContact CB-CE 4.35Å; F689-M692 HydrophobicContact CD1-CE 4.1Å; F689-M692 HydrophobicContact CD1-SD 4.03Å; F689-M692 HydrophobicContact CG-CE 4.49Å; F689-M692 WeakPolarHBondContact O-CB 3.47Å; F689-M692 PolarHBondContact O-N 3.22Å; Q690-M692 VanDerWaalsContact C-N 3.31Å; Q690-M692 PolarHBondContact O-N 3.44Å; M692-I694 VanDerWaalsContact C-N 3.32Å; M692-I694 PolarHBondContact O-N 3.33Å; M692-F695 PolarHBondContact O-N 3.18Å; M692-I696 HydrophobicContact CE-CD1 4.43Å; M692-I696 HydrophobicContact CG-CD1 4.19Å; M692-I696 WeakPolarHBondContact O-CG1 3.34Å; M692-I696 PolarHBondContact O-N 2.96Å
693	F	88.8	Confident	84.9	Confident	82 Å²	82	41.1 Å²	41.1	36%	0.36	20%	0.2	S	C	.	.	H	α-helix	trans	-62.3	-40.9	176.7	-69.4	-59.4	0	0	0	111.7	V660 F689 Q690 F695 I696 F697	V660-F693 HydrophobicContact CG1-CB 4.04Å; V660-F693 HydrophobicContact CG2-CB 3.89Å; V660-F693 HydrophobicContact CG2-CG 4.5Å; F689-F693 HydrophobicContact CB-CD2 4.26Å; F689-F693 HydrophobicContact CB-CE2 3.87Å; F689-F693 WeakPolarHBondContact O-CD2 3.42Å; F689-F693 PolarHBondContact O-N 3.4Å; F689-F693 VanDerWaalsContact O-N 3.13Å; Q690-F693 PolarHBondContact O-N 3.27Å; F693-F695 PolarHBondContact O-N 2.95Å; F693-I696 PolarHBondContact O-N 2.92Å; F693-F697 HydrophobicContact CB-CD2 4.46Å; F693-F697 HydrophobicContact CB-CE2 4.47Å; F693-F697 WeakPolarHBondContact O-CD2 3.22Å; F693-F697 PolarHBondContact O-N 2.88Å
694	I	87.4	Confident	84.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.2	-46.3	176.1	-68.3	170.6	0	0	0	110.9	L476 L504 L657 V660 L661 Q690 G691 M692 I696 F697 L698	L476-I694 HydrophobicContact CD2-CG2 4.31Å; L504-I694 HydrophobicContact CD1-CD1 3.35Å; L657-I694 HydrophobicContact CD2-CB 4.41Å; L657-I694 HydrophobicContact CD2-CG1 3.94Å; L657-I694 HydrophobicContact CD2-CG2 4.17Å; V660-I694 HydrophobicContact CG1-CG1 4.35Å; L661-I694 HydrophobicContact CD1-CD1 3.92Å; L661-I694 HydrophobicContact CD1-CG1 4.42Å; Q690-I694 HydrophobicContact CG-CD1 4.17Å; Q690-I694 WeakPolarHBondContact O-CG1 3.4Å; Q690-I694 PolarHBondContact O-N 3.3Å; G691-I694 PolarHBondContact O-N 3.4Å; M692-I694 VanDerWaalsContact C-N 3.32Å; M692-I694 PolarHBondContact O-N 3.33Å; I694-I696 PolarHBondContact O-N 2.65Å; I694-F697 PolarHBondContact O-N 3.37Å; I694-L698 HydrophobicContact CG2-CD1 3.54Å; I694-L698 HydrophobicContact CG2-CG 4.21Å; I694-L698 VanDerWaalsContact O-CB 3.23Å; I694-L698 WeakPolarHBondContact O-CB 3.41Å; I694-L698 WeakPolarHBondContact O-CG 3.41Å; I694-L698 PolarHBondContact O-N 2.83Å
695	F	89.3	Confident	83.9	Confident	38 Å²	38	44.2 Å²	44.2	17%	0.167	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-43	176.3	173.4	-103	0	0	0	112.5	C475 L478 C479 G691 M692 F693 C699 V700	C475-F695 HydrophobicContact CB-CB 3.78Å; C475-F695 HydrophobicContact CB-CD1 4.46Å; C475-F695 HydrophobicContact CB-CG 4.14Å; C475-F695 WeakPolarHBondContact O-CD2 3.32Å; L478-F695 HydrophobicContact CB-CD2 4.38Å; L478-F695 HydrophobicContact CB-CE2 3.93Å; C479-F695 HydrophobicContact CB-CD2 4.11Å; G691-F695 PolarHBondContact O-N 2.96Å; M692-F695 PolarHBondContact O-N 3.18Å; F693-F695 PolarHBondContact O-N 2.95Å; F695-C699 HydrophobicContact CD2-CB 3.76Å; F695-C699 HydrophobicContact CE2-CB 3.67Å; F695-C699 HydrophobicContact CZ-CB 4.36Å; F695-C699 WeakPolarHBondContact O-CA 3.39Å; F695-C699 WeakPolarHBondContact O-CB 3.38Å; F695-C699 PolarHBondContact O-N 3.42Å; F695-V700 HydrophobicContact CD1-CG2 4Å; F695-V700 HydrophobicContact CE1-CG2 3.55Å; F695-V700 HydrophobicContact CZ-CG2 4.05Å; F695-V700 PolarHBondContact O-N 3.27Å
696	I	86.4	Confident	83.4	Confident	57 Å²	57	45 Å²	45	29%	0.292	21%	0.214	S	C	.	.	I	π-helix	trans	-60.8	-48.3	177.5	-68.1	167.3	0	0	0	110.6	M692 F693 I694 V700 L701	M692-I696 HydrophobicContact CE-CD1 4.43Å; M692-I696 HydrophobicContact CG-CD1 4.19Å; M692-I696 WeakPolarHBondContact O-CG1 3.34Å; M692-I696 PolarHBondContact O-N 2.96Å; F693-I696 PolarHBondContact O-N 2.92Å; I694-I696 PolarHBondContact O-N 2.65Å; I696-V700 WeakPolarHBondContact O-CB 3.2Å; I696-V700 PolarHBondContact O-N 3.29Å; I696-L701 HydrophobicContact CG2-CD1 3.95Å; I696-L701 HydrophobicContact CG2-CG 4.16Å; I696-L701 WeakPolarHBondContact O-CB 3.47Å; I696-L701 WeakPolarHBondContact O-CG 3.32Å; I696-L701 PolarHBondContact O-N 3.35Å
697	F	83.5	Confident	82.9	Confident	67 Å²	67	48.4 Å²	48.4	29%	0.294	23%	0.228	S	C	.	.	I	π-helix	trans	-73.1	-39.9	-177.4	-74.3	-64.7	0	0	0	113.5	A656 V660 F693 I694 L701	A656-F697 HydrophobicContact CB-CB 4.31Å; A656-F697 HydrophobicContact CB-CD1 3.4Å; A656-F697 VanDerWaalsContact CB-CD1 3.4Å; A656-F697 HydrophobicContact CB-CD2 3.81Å; A656-F697 HydrophobicContact CB-CE1 3.54Å; A656-F697 HydrophobicContact CB-CE2 3.94Å; A656-F697 HydrophobicContact CB-CG 3.57Å; A656-F697 HydrophobicContact CB-CZ 3.81Å; V660-F697 HydrophobicContact CG2-CD2 4.26Å; V660-F697 HydrophobicContact CG2-CE2 4.05Å; F693-F697 HydrophobicContact CB-CD2 4.46Å; F693-F697 HydrophobicContact CB-CE2 4.47Å; F693-F697 WeakPolarHBondContact O-CD2 3.22Å; F693-F697 PolarHBondContact O-N 2.88Å; I694-F697 PolarHBondContact O-N 3.37Å; F697-L701 HydrophobicContact CD1-CD1 3.56Å; F697-L701 HydrophobicContact CE1-CD1 3.77Å; F697-L701 HydrophobicContact CG-CD1 4.45Å
698	L	79.9	Confident	82.5	Confident	10 Å²	10	49 Å²	49	5%	0.052	23%	0.23	C	C	.	.	I	π-helix	trans	-82.7	-42.5	-176	-74.1	-178.1	0	0	0	113.5	F483 H497 L657 I694 S702 I705	F483-L698 HydrophobicContact CE2-CD1 4.46Å; F483-L698 HydrophobicContact CZ-CB 4.3Å; H497-L698 HydrophobicContact CB-CD1 4.08Å; L657-L698 HydrophobicContact CD1-CD2 3.68Å; L657-L698 HydrophobicContact CD1-CG 4.21Å; L657-L698 HydrophobicContact CD2-CD1 4.33Å; L657-L698 HydrophobicContact CD2-CG 4.2Å; I694-L698 HydrophobicContact CG2-CD1 3.54Å; I694-L698 HydrophobicContact CG2-CG 4.21Å; I694-L698 VanDerWaalsContact O-CB 3.23Å; I694-L698 WeakPolarHBondContact O-CB 3.41Å; I694-L698 WeakPolarHBondContact O-CG 3.41Å; I694-L698 PolarHBondContact O-N 2.83Å; L698-S702 WeakPolarHBondContact O-CB 3.45Å; L698-I705 VanDerWaalsContact O-CD1 3.22Å; L698-I705 WeakPolarHBondContact O-CD1 3.47Å
699	C	81.3	Confident	82	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.007	24%	0.24	C	C	.	.	I	π-helix	trans	-100.9	-52.8	-174.2	-64.2	0	0	0	0	111.7	F695 I705	F695-C699 HydrophobicContact CD2-CB 3.76Å; F695-C699 HydrophobicContact CE2-CB 3.67Å; F695-C699 HydrophobicContact CZ-CB 4.36Å; F695-C699 WeakPolarHBondContact O-CA 3.39Å; F695-C699 WeakPolarHBondContact O-CB 3.38Å; F695-C699 PolarHBondContact O-N 3.42Å; C699-I705 WeakPolarHBondContact O-CG2 3.49Å
700	V	81.7	Confident	81.4	Confident	65 Å²	65	56.6 Å²	56.6	39%	0.394	26%	0.258	S	S	.	.	I	π-helix	trans	-73.3	-43.1	-171.5	-179.2	0	0	0	0	112.3	F695 I696 Q706	F695-V700 HydrophobicContact CD1-CG2 4Å; F695-V700 HydrophobicContact CE1-CG2 3.55Å; F695-V700 HydrophobicContact CZ-CG2 4.05Å; F695-V700 PolarHBondContact O-N 3.27Å; I696-V700 WeakPolarHBondContact O-CB 3.2Å; I696-V700 PolarHBondContact O-N 3.29Å; V700-Q706 WeakPolarHBondContact O-CG 3.48Å; V700-Q706 PolarHBondContact O-NE2 2.85Å
701	L	76	Confident	80.7	Confident	76 Å²	76	62.2 Å²	62.2	40%	0.398	28%	0.28	S	S	.	.	S	Bend	trans	-89.2	-4.8	-175.9	-68.5	175.4	0	0	0	114.1	I696 F697 R703	I696-L701 HydrophobicContact CG2-CD1 3.95Å; I696-L701 HydrophobicContact CG2-CG 4.16Å; I696-L701 WeakPolarHBondContact O-CB 3.47Å; I696-L701 WeakPolarHBondContact O-CG 3.32Å; I696-L701 PolarHBondContact O-N 3.35Å; F697-L701 HydrophobicContact CD1-CD1 3.56Å; F697-L701 HydrophobicContact CE1-CD1 3.77Å; F697-L701 HydrophobicContact CG-CD1 4.45Å; L701-R703 PolarHBondContact O-N 3.45Å
702	S	75.6	Confident	79.8	Confident	32 Å²	32	65.4 Å²	65.4	22%	0.224	30%	0.296	C	S	.	.			trans	-83.8	108	179.8	179.3	0	0	0	0	110.5	L698 K704 I705 Q706	L698-S702 WeakPolarHBondContact O-CB 3.45Å; S702-K704 VanDerWaalsContact C-N 3.25Å; S702-K704 PolarHBondContact O-N 3.44Å; S702-I705 PolarHBondContact O-N 2.82Å; S702-Q706 WeakPolarHBondContact O-CG 3.41Å; S702-Q706 PolarHBondContact O-N 3.26Å
703	R	72	Confident	78.8	Confident	145 Å²	145	70.4 Å²	70.4	55%	0.547	32%	0.317	S	S	.	.	H	α-helix	trans	-51.1	-41.7	-179.7	-76.1	-174.5	174.8	177.5	-3.2	113.5	L701 I705 Q706 E707	L701-R703 PolarHBondContact O-N 3.45Å; R703-I705 VanDerWaalsContact C-N 3.26Å; R703-I705 PolarHBondContact O-N 3.24Å; R703-Q706 WeakPolarHBondContact O-CB 3.23Å; R703-Q706 PolarHBondContact O-N 2.83Å; R703-E707 WeakPolarHBondContact O-CG 3.42Å; R703-E707 PolarHBondContact O-N 3.27Å
704	K	73	Confident	77.9	Confident	117 Å²	117	73.7 Å²	73.7	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-38.7	178.4	-68	-171.3	176.4	-169.4	0	112.2	N646 S702 E708	N646-K704 VanDerWaalsContact OD1-CE 3.28Å; N646-K704 WeakPolarHBondContact OD1-CE 3.39Å; S702-K704 VanDerWaalsContact C-N 3.25Å; S702-K704 PolarHBondContact O-N 3.44Å; K704-E708 WeakPolarHBondContact O-CG 3.33Å; K704-E708 PolarHBondContact O-N 2.87Å
705	I	76.1	Confident	76.7	Confident	5 Å²	5	79.6 Å²	79.6	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-79.8	-36.6	-179.4	-67.5	171	0	0	0	110.2	T482 F483 L698 C699 S702 R703 E707 E708 Y709	T482-I705 HydrophobicContact CG2-CG2 4.2Å; F483-I705 HydrophobicContact CE1-CD1 3.77Å; L698-I705 VanDerWaalsContact O-CD1 3.22Å; L698-I705 WeakPolarHBondContact O-CD1 3.47Å; C699-I705 WeakPolarHBondContact O-CG2 3.49Å; S702-I705 PolarHBondContact O-N 2.82Å; R703-I705 VanDerWaalsContact C-N 3.26Å; R703-I705 PolarHBondContact O-N 3.24Å; I705-E707 VanDerWaalsContact C-N 3.3Å; I705-E707 PolarHBondContact O-N 3.48Å; I705-E708 PolarHBondContact O-N 3.32Å; I705-Y709 HydrophobicContact CG2-CD2 3.41Å; I705-Y709 VanDerWaalsContact CG2-CD2 3.41Å; I705-Y709 HydrophobicContact CG2-CE2 3.25Å; I705-Y709 WeakPolarHBondContact O-CB 3.22Å; I705-Y709 WeakPolarHBondContact O-CD2 3.26Å; I705-Y709 PolarHBondContact O-N 2.89Å
706	Q	77.9	Confident	75.5	Confident	91 Å²	91	82 Å²	82	43%	0.425	38%	0.38	S	S	.	.	H	α-helix	trans	-57.6	-42.4	171.5	-68.9	178.7	-23.9	0	0	112.2	V700 S702 R703 Y710	V700-Q706 WeakPolarHBondContact O-CG 3.48Å; V700-Q706 PolarHBondContact O-NE2 2.85Å; S702-Q706 WeakPolarHBondContact O-CG 3.41Å; S702-Q706 PolarHBondContact O-N 3.26Å; R703-Q706 WeakPolarHBondContact O-CB 3.23Å; R703-Q706 PolarHBondContact O-N 2.83Å; Q706-Y710 VanDerWaalsContact O-CB 3.23Å; Q706-Y710 WeakPolarHBondContact O-CB 3.26Å; Q706-Y710 PolarHBondContact O-N 3.3Å
707	E	77.7	Confident	74	Confident	104 Å²	104	84.4 Å²	84.4	49%	0.486	40%	0.4	S	S	.	.	H	α-helix	trans	-64.2	-41.7	177.6	-74.7	169.6	-157.7	0	0	112.1	R703 I705 Y710 R711	R703-E707 WeakPolarHBondContact O-CG 3.42Å; R703-E707 PolarHBondContact O-N 3.27Å; I705-E707 VanDerWaalsContact C-N 3.3Å; I705-E707 PolarHBondContact O-N 3.48Å; E707-Y710 PolarHBondContact O-N 3.02Å; E707-R711 WeakPolarHBondContact O-CG 3.1Å; E707-R711 PolarHBondContact O-N 3.17Å
708	E	76.8	Confident	72.5	Confident	31 Å²	31	86.4 Å²	86.4	15%	0.145	42%	0.421	C	S	.	.	H	α-helix	trans	-73.8	-37.6	177.4	-62.8	-53.8	152.1	0	0	112.8	I489 K704 I705 Y710 R711 L712	I489-E708 HydrophobicContact CD1-CB 3.73Å; I489-E708 HydrophobicContact CD1-CG 3.56Å; I489-E708 HydrophobicContact CG1-CG 3.9Å; K704-E708 WeakPolarHBondContact O-CG 3.33Å; K704-E708 PolarHBondContact O-N 2.87Å; I705-E708 PolarHBondContact O-N 3.32Å; E708-Y710 VanDerWaalsContact C-N 3.29Å; E708-Y710 PolarHBondContact O-N 2.92Å; E708-R711 VanDerWaalsContact CD-NH1 3.32Å; E708-R711 PolarHBondContact O-N 3.3Å; E708-R711 IonicContact OE1-CZ 3.32Å; E708-R711 IonicContact OE1-NH1 2.65Å; E708-R711 PolarHBondContact OE1-NH1 3.38Å; E708-R711 IonicContact OE1-NH2 3.76Å; E708-R711 IonicContact OE2-CZ 3.94Å; E708-R711 IonicContact OE2-NH1 3.26Å; E708-R711 PolarHBondContact OE2-NH1 3.02Å; E708-L712 WeakPolarHBondContact O-CB 3.47Å; E708-L712 PolarHBondContact O-N 3.46Å
709	Y	79	Confident	70.9	Confident	59 Å²	59	91.1 Å²	91.1	23%	0.231	45%	0.453	C	S	.	.	H	α-helix	trans	-59	-44.2	168.3	-85.3	-63.3	0	0	0	110.6	T482 F486 I705 R711 L712 F713	T482-Y709 HydrophobicContact CG2-CE2 4.1Å; T482-Y709 WeakPolarHBondContact CG2-OH 3.34Å; T482-Y709 PolarHBondContact OG1-OH 3.45Å; F486-Y709 HydrophobicContact CE2-CE1 4.38Å; I705-Y709 HydrophobicContact CG2-CD2 3.41Å; I705-Y709 VanDerWaalsContact CG2-CD2 3.41Å; I705-Y709 HydrophobicContact CG2-CE2 3.25Å; I705-Y709 WeakPolarHBondContact O-CB 3.22Å; I705-Y709 WeakPolarHBondContact O-CD2 3.26Å; I705-Y709 PolarHBondContact O-N 2.89Å; Y709-R711 PolarHBondContact O-N 3.09Å; Y709-L712 WeakPolarHBondContact O-CB 3.39Å; Y709-L712 PolarHBondContact O-N 2.68Å; Y709-F713 HydrophobicContact CD1-CE2 4.47Å; Y709-F713 WeakPolarHBondContact O-CB 3.19Å; Y709-F713 WeakPolarHBondContact O-CD2 3.47Å; Y709-F713 PolarHBondContact O-N 3.47Å
710	Y	76.5	Confident	69.1	Low	158 Å²	158	99.3 Å²	99.3	62%	0.62	49%	0.489	S	S	*	.	H	α-helix	trans	-62.9	-39.9	177.1	-177.6	-97.2	0	0	0	112	Q706 E707 E708 F713 K714	Q706-Y710 VanDerWaalsContact O-CB 3.23Å; Q706-Y710 WeakPolarHBondContact O-CB 3.26Å; Q706-Y710 PolarHBondContact O-N 3.3Å; E707-Y710 PolarHBondContact O-N 3.02Å; E708-Y710 VanDerWaalsContact C-N 3.29Å; E708-Y710 PolarHBondContact O-N 2.92Å; Y710-F713 PolarHBondContact O-N 3.43Å; Y710-K714 HydrophobicContact CE1-CD 4.38Å; Y710-K714 VanDerWaalsContact O-CB 3.26Å; Y710-K714 WeakPolarHBondContact O-CB 3.15Å; Y710-K714 PolarHBondContact O-N 3.41Å
711	R	74.4	Confident	67.2	Low	118 Å²	118	104.8 Å²	104.8	45%	0.445	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-41.5	172.6	-74.8	-175.8	-163.2	151.2	13.2	112.3	E707 E708 Y709 K714 N715	E707-R711 WeakPolarHBondContact O-CG 3.1Å; E707-R711 PolarHBondContact O-N 3.17Å; E708-R711 VanDerWaalsContact CD-NH1 3.32Å; E708-R711 PolarHBondContact O-N 3.3Å; E708-R711 IonicContact OE1-CZ 3.32Å; E708-R711 IonicContact OE1-NH1 2.65Å; E708-R711 PolarHBondContact OE1-NH1 3.38Å; E708-R711 IonicContact OE1-NH2 3.76Å; E708-R711 IonicContact OE2-CZ 3.94Å; E708-R711 IonicContact OE2-NH1 3.26Å; E708-R711 PolarHBondContact OE2-NH1 3.02Å; Y709-R711 PolarHBondContact O-N 3.09Å; R711-K714 PolarHBondContact O-N 3.13Å; R711-N715 WeakPolarHBondContact O-CB 3.37Å; R711-N715 PolarHBondContact O-N 3.36Å; R711-N715 PolarHBondContact O-ND2 2.85Å
712	L	70.9	Confident	65.6	Low	67 Å²	67	107.3 Å²	107.3	35%	0.351	53%	0.533	S	S	.	.	H	α-helix	trans	-60.9	-49.4	174.2	-169.2	100.4	0	0	0	110.4	F485 F486 E708 Y709 K714 N715 V716	F485-L712 HydrophobicContact CE1-CD1 4.22Å; F486-L712 HydrophobicContact CE1-CB 4.43Å; F486-L712 HydrophobicContact CE1-CD1 3.82Å; F486-L712 HydrophobicContact CZ-CB 4.41Å; F486-L712 HydrophobicContact CZ-CD1 3.99Å; F486-L712 HydrophobicContact CZ-CD2 4.35Å; F486-L712 HydrophobicContact CZ-CG 4.48Å; E708-L712 WeakPolarHBondContact O-CB 3.47Å; E708-L712 PolarHBondContact O-N 3.46Å; Y709-L712 WeakPolarHBondContact O-CB 3.39Å; Y709-L712 PolarHBondContact O-N 2.68Å; L712-K714 VanDerWaalsContact C-N 3.26Å; L712-K714 PolarHBondContact O-N 3.47Å; L712-N715 PolarHBondContact O-N 3.3Å; L712-N715 VanDerWaalsContact O-N 3.17Å; L712-V716 WeakPolarHBondContact O-CG2 3.28Å; L712-V716 PolarHBondContact O-N 3.41Å
713	F	71.5	Confident	64.1	Low	156 Å²	156	112.3 Å²	112.3	68%	0.684	56%	0.556	S	S	*	*	H	α-helix	trans	-62.1	-31.6	176.9	-82.4	-66.4	0	0	0	113.1	Y709 Y710	Y709-F713 HydrophobicContact CD1-CE2 4.47Å; Y709-F713 WeakPolarHBondContact O-CB 3.19Å; Y709-F713 WeakPolarHBondContact O-CD2 3.47Å; Y709-F713 PolarHBondContact O-N 3.47Å; Y710-F713 PolarHBondContact O-N 3.43Å
714	K	68.2	Low	62.4	Low	151 Å²	151	119.7 Å²	119.7	66%	0.657	58%	0.584	S	S	*	*	H	α-helix	trans	-77.9	-30.7	175.7	-170.5	177.2	179.6	-179.1	0	113	Y710 R711 L712	Y710-K714 HydrophobicContact CE1-CD 4.38Å; Y710-K714 VanDerWaalsContact O-CB 3.26Å; Y710-K714 WeakPolarHBondContact O-CB 3.15Å; Y710-K714 PolarHBondContact O-N 3.41Å; R711-K714 PolarHBondContact O-N 3.13Å; L712-K714 VanDerWaalsContact C-N 3.26Å; L712-K714 PolarHBondContact O-N 3.47Å
715	N	64	Low	61.9	Low	124 Å²	124	119.9 Å²	119.9	66%	0.663	59%	0.588	S	S	*	*	H	α-helix	trans	-92.9	-3.8	-177.4	-70.3	-11.4	0	0	0	113.7	R711 L712 P717	R711-N715 WeakPolarHBondContact O-CB 3.37Å; R711-N715 PolarHBondContact O-N 3.36Å; R711-N715 PolarHBondContact O-ND2 2.85Å; L712-N715 PolarHBondContact O-N 3.3Å; L712-N715 VanDerWaalsContact O-N 3.17Å; N715-P717 WeakPolarHBondContact O-CD 3.41Å
716	V	63.8	Low	61.2	Low	87 Å²	87	125.9 Å²	125.9	53%	0.527	62%	0.618	S	S	.	*	S	Bend	trans	-81.6	103.8	164.6	173.8	0	0	0	0	107.7	L712	L712-V716 WeakPolarHBondContact O-CG2 3.28Å; L712-V716 PolarHBondContact O-N 3.41Å
717	P	55	Low	60.2	Low	109 Å²	109	127.8 Å²	127.8	71%	0.708	63%	0.628	S	S	*	*			trans	-76.5	135.5	174.6	-0.2	21.2	0	0	0	108.3	N715	N715-P717 WeakPolarHBondContact O-CD 3.41Å
718	C	51	Low	59.2	Low	109 Å²	109	129.2 Å²	129.2	74%	0.736	64%	0.637	S	S	*	*	S	Bend	trans	73.9	69.5	163	-54.4	0	0	0	0	119
719	C	46.3	Very low	58.1	Low	108 Å²	108	135.4 Å²	135.4	73%	0.73	67%	0.667	S	S	*	*	S	Bend	trans	-141	1.2	152.4	-113.6	0	0	0	0	117
720	F	44.2	Very low	56.7	Low	173 Å²	173	140.5 Å²	140.5	76%	0.759	70%	0.696	S	S	*	*	S	Bend	trans	-117	1.9	177.3	-102.6	-79.8	0	0	0	115.3	C722 L723	F720-C722 VanDerWaalsContact C-N 3.29Å; F720-L723 HydrophobicContact CD1-CB 4.2Å; F720-L723 HydrophobicContact CE1-CB 4.42Å; F720-L723 HydrophobicContact CE1-CD1 4.35Å
721	E	41	Very low	55.3	Low	181 Å²	181	139.2 Å²	139.2	85%	0.846	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-1.8	173.6	-133.5	157.9	-164.5	0	0	113.1
722	C	43.4	Very low	53.9	Low	129 Å²	129	140.8 Å²	140.8	87%	0.872	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	1.5	169.6	-100.7	0	0	0	0	114	F720	F720-C722 VanDerWaalsContact C-N 3.29Å
723	L	43.4	Very low	52.4	Low	137 Å²	137	147 Å²	147	72%	0.717	75%	0.753	S	S	*	*			trans	-119.6	26.7	-177.5	-113.2	150.2	0	0	0	112.4	F720	F720-L723 HydrophobicContact CD1-CB 4.2Å; F720-L723 HydrophobicContact CE1-CB 4.42Å; F720-L723 HydrophobicContact CE1-CD1 4.35Å
724	R	37.4	Very low	50.7	Low	300 Å²	300	146.2 Å²	146.2	100%	1.132	76%	0.759	S	S	*	*			trans	-113.6	0	165	-168.5	175.8	-167.4	161.9	4.4	110.7

Retrieved 724 of 724 residues in 2102 ms (Link to these results)

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