A0A087Y1Z9_POEFO Loading...

Histone acetyltransferase

AlphaFold DB , UniProt , Accession A0A087Y1Z9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 798 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	29.9	Very low	24.6	Very low	246 Å²	246	151.5 Å²	151.5	100%	1.212	88%	0.878	S	S	*	*				0	129.6	0	-65.8	-174.4	179.7	0	0	106.1
2	S	24.4	Very low	24.4	Very low	125 Å²	125	159.3 Å²	159.3	87%	0.874	88%	0.882	S	S	*	*			trans	-134.3	126.7	-159.3	-47	0	0	0	0	110.5
3	D	21.5	Very low	24.4	Very low	164 Å²	164	159.8 Å²	159.8	88%	0.877	88%	0.881	S	S	*	*			trans	-77.6	161.5	-175.9	-101.7	-40.2	0	0	0	113.9
4	P	31.5	Very low	24.3	Very low	116 Å²	116	161.1 Å²	161.1	75%	0.753	89%	0.885	S	S	*	*			trans	-95.4	128	-167.5	35.3	-33.2	0	0	0	114.2
5	A	23.1	Very low	24.2	Very low	92 Å²	92	161.3 Å²	161.3	76%	0.76	88%	0.877	S	S	*	*			trans	-161.4	79.1	164.7	0	0	0	0	0	113.2
6	T	24.9	Very low	24.1	Very low	148 Å²	148	157.8 Å²	157.8	91%	0.908	88%	0.876	S	S	*	*			trans	-159.7	77.4	165.9	5.3	0	0	0	0	114
7	Q	24.9	Very low	24.1	Very low	202 Å²	202	158.5 Å²	158.5	94%	0.944	87%	0.872	S	S	*	*			trans	-142.5	104.6	157	-79.4	-164.6	-2.7	0	0	110.8
8	A	22	Very low	24	Very low	93 Å²	93	156.5 Å²	156.5	77%	0.769	87%	0.871	S	S	*	*			trans	-157.8	139.1	170.3	0	0	0	0	0	112.9
9	L	22.8	Very low	23.8	Very low	168 Å²	168	154.8 Å²	154.8	88%	0.88	87%	0.871	S	S	*	*			trans	76.7	74.8	152.6	-61.1	159.3	0	0	0	119.9
10	Q	21.7	Very low	23.8	Very low	188 Å²	188	150.7 Å²	150.7	88%	0.879	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-82	133.3	143.9	-88.6	-179.7	-11.6	0	0	110.6
11	P	23.5	Very low	23.7	Very low	124 Å²	124	149.4 Å²	149.4	81%	0.805	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-78.4	121.7	172	-10	26.3	0	0	0	111.9	L13	P11-L13 PolarHBondContact O-N 3Å
12	R	22.8	Very low	23.3	Very low	245 Å²	245	142.6 Å²	142.6	93%	0.925	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-62.4	127.9	172.9	-76.1	175.8	167.1	169.9	-5.6	111.6
13	L	24	Very low	23.2	Very low	167 Å²	167	140.4 Å²	140.4	87%	0.874	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-76.4	134.2	155.8	-80.6	164.8	0	0	0	109.3	P11 Q15	P11-L13 PolarHBondContact O-N 3Å; L13-Q15 PolarHBondContact O-N 3.06Å
14	L	23.6	Very low	23.2	Very low	178 Å²	178	138.9 Å²	138.9	93%	0.932	85%	0.847	S	S	*	*			trans	-69.3	97.3	-177.1	-77.9	155.8	0	0	0	111.6
15	Q	23.1	Very low	22.7	Very low	163 Å²	163	137 Å²	137	76%	0.762	85%	0.849	S	S	*	*			trans	-77.8	116.4	153.2	-76.4	-177.5	-14.4	0	0	108.7	L13 Q17	L13-Q15 PolarHBondContact O-N 3.06Å; Q15-Q17 PolarHBondContact O-N 3.06Å
16	A	22.5	Very low	22.6	Very low	105 Å²	105	137.9 Å²	137.9	87%	0.868	86%	0.856	S	S	*	*			trans	-83.4	104.2	161.6	0	0	0	0	0	108.3
17	Q	22.9	Very low	22.6	Very low	171 Å²	171	135.8 Å²	135.8	80%	0.799	85%	0.853	S	S	*	*			trans	-82.5	126.6	169.5	-69.4	-179.2	-10.5	0	0	109.5	Q15	Q15-Q17 PolarHBondContact O-N 3.06Å
18	S	22.3	Very low	22.5	Very low	122 Å²	122	131.2 Å²	131.2	85%	0.853	85%	0.85	S	S	*	*			trans	-107.6	103.5	159.6	58.2	0	0	0	0	108.4
19	S	21.4	Very low	22.6	Very low	124 Å²	124	132.1 Å²	132.1	87%	0.867	86%	0.857	S	S	*	*			trans	-76.1	141	170.5	43.6	0	0	0	0	110.3
20	G	22.7	Very low	22.5	Very low	72 Å²	72	126.9 Å²	126.9	74%	0.742	84%	0.844	S	S	*	*			trans	167.5	76.2	178.5	0	0	0	0	0	116.7
21	S	22.8	Very low	22.6	Very low	125 Å²	125	124 Å²	124	87%	0.874	85%	0.845	S	S	*	*			trans	62.5	128.8	154	-154.5	0	0	0	0	120.1
22	A	21.2	Very low	22.5	Very low	102 Å²	102	121.5 Å²	121.5	84%	0.843	84%	0.842	S	S	*	*			trans	-86.6	144.3	167.1	0	0	0	0	0	111.2
23	G	21.9	Very low	22.5	Very low	79 Å²	79	117 Å²	117	81%	0.814	84%	0.841	S	S	*	*			trans	-157.1	116.3	172.3	0	0	0	0	0	110.2
24	S	21.2	Very low	22.4	Very low	133 Å²	133	112.6 Å²	112.6	93%	0.93	84%	0.837	S	S	*	*			trans	-78.9	146.6	-175.2	42	0	0	0	0	113
25	G	21.7	Very low	22.5	Very low	77 Å²	77	112.1 Å²	112.1	79%	0.794	84%	0.835	S	S	*	*			trans	177.7	122.6	172.5	0	0	0	0	0	113.8
26	A	21.7	Very low	22.6	Very low	110 Å²	110	109.5 Å²	109.5	91%	0.909	84%	0.835	S	S	*	*			trans	-71.1	169	-168.7	0	0	0	0	0	116.6
27	A	23.5	Very low	22.7	Very low	103 Å²	103	112.2 Å²	112.2	85%	0.851	84%	0.835	S	S	*	*			trans	-75.1	164.2	-175.8	0	0	0	0	0	115.9
28	A	22.5	Very low	22.9	Very low	106 Å²	106	109.4 Å²	109.4	88%	0.876	83%	0.831	S	S	*	*			trans	-149.9	142.5	145.4	0	0	0	0	0	110.2
29	A	24.6	Very low	23.2	Very low	112 Å²	112	110 Å²	110	93%	0.926	83%	0.83	S	S	*	*			trans	-116	171.8	-168.5	0	0	0	0	0	114.1
30	G	21.6	Very low	23.4	Very low	58 Å²	58	114.9 Å²	114.9	60%	0.598	83%	0.829	S	S	*	*			trans	168.4	86.1	169.6	0	0	0	0	0	111.7
31	S	23.1	Very low	23.8	Very low	128 Å²	128	117.5 Å²	117.5	90%	0.895	83%	0.833	S	S	*	*				60.9	95.2	95.7	62.7	0	0	0	0	113.7
32	G	21.9	Very low	24.5	Very low	72 Å²	72	115.1 Å²	115.1	74%	0.742	83%	0.828	S	S	*	*				136.2	159.4	97.9	0	0	0	0	0	108
33	T	23	Very low	25.3	Very low	149 Å²	149	114.9 Å²	114.9	91%	0.914	81%	0.812	S	S	*	*			cis	-159.4	153.3	0.6	43	0	0	0	0	108.3
34	G	21.7	Very low	27.2	Very low	76 Å²	76	113.6 Å²	113.6	78%	0.784	79%	0.791	S	S	*	*			trans	114.1	93	156.3	0	0	0	0	0	118.7	S36	G34-S36 PolarHBondContact O-N 2.84Å
35	N	25.8	Very low	29.4	Very low	168 Å²	168	113.2 Å²	113.2	90%	0.898	77%	0.774	S	S	*	*			trans	4.2	96.3	155.4	-69	-2.7	0	0	0	120.2
36	S	24	Very low	31.7	Very low	108 Å²	108	113.7 Å²	113.7	76%	0.755	76%	0.756	S	S	*	*				-167.2	131.4	118.5	50	0	0	0	0	107.8	G34 P38	G34-S36 PolarHBondContact O-N 2.84Å; S36-P38 WeakPolarHBondContact O-CD 3.44Å; S36-P38 VanDerWaalsContact O-N 3.09Å
37	D	25	Very low	34.2	Very low	162 Å²	162	113.1 Å²	113.1	87%	0.866	73%	0.734	S	S	*	*			trans	-60.3	115.5	177.3	-97.3	-31.9	0	0	0	109.1	V39	D37-V39 PolarHBondContact O-N 3.2Å; D37-V39 VanDerWaalsContact O-N 3.1Å
38	P	27.2	Very low	36.8	Very low	112 Å²	112	116 Å²	116	73%	0.727	72%	0.723	S	S	*	*			trans	-69.2	116.5	175.4	28.6	-31.5	0	0	0	107.3	S36 R40	S36-P38 WeakPolarHBondContact O-CD 3.44Å; S36-P38 VanDerWaalsContact O-N 3.09Å; P38-R40 VanDerWaalsContact C-N 3.33Å; P38-R40 PolarHBondContact O-N 3.37Å
39	V	28.9	Very low	39.3	Very low	135 Å²	135	111 Å²	111	82%	0.818	68%	0.682	S	S	*	*			trans	-58	96.7	175.6	176	0	0	0	0	108.8	D37 P41	D37-V39 PolarHBondContact O-N 3.2Å; D37-V39 VanDerWaalsContact O-N 3.1Å; V39-P41 VanDerWaalsContact O-CD 3.28Å; V39-P41 WeakPolarHBondContact O-CD 3.29Å
40	R	26.5	Very low	42	Very low	225 Å²	225	109 Å²	109	85%	0.849	66%	0.662	S	S	*	*			trans	-58.8	118.6	171	-113.3	-175.8	179.2	-177.7	0.8	107.7	P38 G42	P38-R40 VanDerWaalsContact C-N 3.33Å; P38-R40 PolarHBondContact O-N 3.37Å; R40-G42 PolarHBondContact O-N 3.27Å
41	P	30.9	Very low	45	Very low	127 Å²	127	112.4 Å²	112.4	83%	0.825	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	132	-177.2	-21.6	33.3	0	0	0	111.5	V39	V39-P41 VanDerWaalsContact O-CD 3.28Å; V39-P41 WeakPolarHBondContact O-CD 3.29Å
42	G	36.7	Very low	48	Very low	75 Å²	75	109.7 Å²	109.7	77%	0.773	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.7	2.7	149.1	0	0	0	0	0	120.2	R40	R40-G42 PolarHBondContact O-N 3.27Å
43	L	37	Very low	51	Low	97 Å²	97	106.4 Å²	106.4	51%	0.508	60%	0.599	S	S	.	*			trans	-96.8	129	173.8	-67.6	178.2	0	0	0	112.8	Q47	L43-Q47 HydrophobicContact CD2-CB 4.29Å
44	S	63.2	Low	54	Low	52 Å²	52	102.2 Å²	102.2	36%	0.364	58%	0.579	S	S	.	*			trans	-69.3	160.3	175.3	79.8	0	0	0	0	112	Q46 Q47 R48	S44-Q46 VanDerWaalsContact C-N 3.26Å; S44-Q46 PolarHBondContact O-N 3.29Å; S44-Q47 PolarHBondContact O-N 3.44Å; S44-Q47 VanDerWaalsContact O-N 3.17Å; S44-Q47 WeakPolarHBondContact OG-CG 3.38Å; S44-Q47 PolarHBondContact OG-N 3.46Å; S44-R48 PolarHBondContact O-N 3.26Å
45	Q	67.6	Low	57.1	Low	126 Å²	126	103.9 Å²	103.9	59%	0.589	57%	0.567	S	S	*	*	H	α-helix	trans	-57.6	-40.5	177.5	-175.4	169.7	1.1	0	0	111.9	R48 A49	Q45-R48 PolarHBondContact O-N 3.45Å; Q45-A49 WeakPolarHBondContact O-CB 3.39Å; Q45-A49 PolarHBondContact O-N 2.93Å
46	Q	69	Low	60	Low	86 Å²	86	96.2 Å²	96.2	40%	0.402	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-45.1	174.7	-175.8	-177.2	35.3	0	0	112.5	S44 R48 A49 S50 Q265	S44-Q46 VanDerWaalsContact C-N 3.26Å; S44-Q46 PolarHBondContact O-N 3.29Å; Q46-R48 VanDerWaalsContact C-N 3.33Å; Q46-R48 PolarHBondContact O-N 2.93Å; Q46-A49 PolarHBondContact O-N 3.06Å; Q46-S50 WeakPolarHBondContact O-CB 3.36Å; Q46-S50 PolarHBondContact O-N 3.31Å; Q46-Q265 WeakPolarHBondContact CG-O 3.45Å; Q46-Q265 PolarHBondContact NE2-O 2.82Å
47	Q	75.1	Confident	63	Low	98 Å²	98	95.5 Å²	95.5	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-40.9	176.9	-73.9	168.2	-24.6	0	0	111.6	L43 S44 S50 Q51	L43-Q47 HydrophobicContact CD2-CB 4.29Å; S44-Q47 PolarHBondContact O-N 3.44Å; S44-Q47 VanDerWaalsContact O-N 3.17Å; S44-Q47 WeakPolarHBondContact OG-CG 3.38Å; S44-Q47 PolarHBondContact OG-N 3.46Å; Q47-S50 PolarHBondContact O-N 3.15Å; Q47-Q51 WeakPolarHBondContact O-CB 3.34Å; Q47-Q51 PolarHBondContact O-N 3.32Å
48	R	77.3	Confident	66	Low	163 Å²	163	91.8 Å²	91.8	62%	0.615	50%	0.498	S	S	*	.	H	α-helix	trans	-64.8	-42.8	176.3	-166.6	-175	-57.9	-158.8	1.1	112.1	S44 Q45 Q46 K52	S44-R48 PolarHBondContact O-N 3.26Å; Q45-R48 PolarHBondContact O-N 3.45Å; Q46-R48 VanDerWaalsContact C-N 3.33Å; Q46-R48 PolarHBondContact O-N 2.93Å; R48-K52 WeakPolarHBondContact O-CB 3.37Å; R48-K52 PolarHBondContact O-N 3.45Å
49	A	75.5	Confident	68.8	Low	2 Å²	2	88.8 Å²	88.8	2%	0.017	47%	0.474	C	S	.	.	H	α-helix	trans	-62.1	-48.1	176	0	0	0	0	0	111.5	Q45 Q46 K52 K53 N143	Q45-A49 WeakPolarHBondContact O-CB 3.39Å; Q45-A49 PolarHBondContact O-N 2.93Å; Q46-A49 PolarHBondContact O-N 3.06Å; A49-K52 PolarHBondContact O-N 2.98Å; A49-K53 WeakPolarHBondContact O-CG 3.11Å; A49-K53 PolarHBondContact O-N 3.39Å; A49-N143 WeakPolarHBondContact CB-ND2 3.45Å
50	S	81.8	Confident	71.6	Confident	71 Å²	71	86.8 Å²	86.8	50%	0.497	46%	0.464	S	S	.	.	H	α-helix	trans	-61.6	-45.3	177.9	-177.8	0	0	0	0	112.6	Q46 Q47 K52 K53 A54	Q46-S50 WeakPolarHBondContact O-CB 3.36Å; Q46-S50 PolarHBondContact O-N 3.31Å; Q47-S50 PolarHBondContact O-N 3.15Å; S50-K52 VanDerWaalsContact C-N 3.33Å; S50-K52 PolarHBondContact O-N 3.29Å; S50-K53 WeakPolarHBondContact O-CB 3.48Å; S50-K53 PolarHBondContact O-N 3.19Å; S50-A54 PolarHBondContact O-N 3.26Å
51	Q	84.8	Confident	74.3	Confident	128 Å²	128	79.9 Å²	79.9	60%	0.598	44%	0.438	S	S	*	.	H	α-helix	trans	-60.6	-41.4	176	-172.6	177.9	18	0	0	112.1	Q47 A54 Q55	Q47-Q51 WeakPolarHBondContact O-CB 3.34Å; Q47-Q51 PolarHBondContact O-N 3.32Å; Q51-A54 PolarHBondContact O-N 3.22Å; Q51-Q55 PolarHBondContact O-N 3.1Å
52	K	84.3	Confident	76.8	Confident	72 Å²	72	76.4 Å²	76.4	31%	0.313	42%	0.419	S	S	.	.	H	α-helix	trans	-67.4	-37.1	176.8	-171	173	174.6	-173.1	0	112.1	R48 A49 S50 Q55 V56 V139 E142	R48-K52 WeakPolarHBondContact O-CB 3.37Å; R48-K52 PolarHBondContact O-N 3.45Å; A49-K52 PolarHBondContact O-N 2.98Å; S50-K52 VanDerWaalsContact C-N 3.33Å; S50-K52 PolarHBondContact O-N 3.29Å; K52-Q55 PolarHBondContact O-N 3.14Å; K52-V56 PolarHBondContact O-N 2.94Å; K52-V139 HydrophobicContact CB-CG1 4.23Å; K52-V139 HydrophobicContact CD-CG1 4.11Å; K52-V139 HydrophobicContact CG-CG1 4.08Å; K52-V139 HydrophobicContact CG-CG2 4.36Å; K52-E142 WeakPolarHBondContact CE-OE2 3.5Å; K52-E142 IonicContact NZ-OE2 2.75Å; K52-E142 PolarHBondContact NZ-OE2 3.31Å
53	K	85.8	Confident	79.1	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.009	39%	0.39	C	S	.	.	H	α-helix	trans	-62.3	-45.5	171.7	-75.3	-179	179.2	-178.9	0	112.2	A49 S50 Q55 V56 R57 G136 V139 D140 D268	A49-K53 WeakPolarHBondContact O-CG 3.11Å; A49-K53 PolarHBondContact O-N 3.39Å; S50-K53 WeakPolarHBondContact O-CB 3.48Å; S50-K53 PolarHBondContact O-N 3.19Å; K53-Q55 VanDerWaalsContact C-N 3.31Å; K53-Q55 PolarHBondContact O-N 3.4Å; K53-V56 WeakPolarHBondContact O-CG2 3.34Å; K53-V56 PolarHBondContact O-N 3.43Å; K53-R57 WeakPolarHBondContact O-CB 3.46Å; K53-R57 VanDerWaalsContact O-CG 3.26Å; K53-R57 WeakPolarHBondContact O-CG 3.5Å; K53-R57 PolarHBondContact O-N 2.93Å; K53-G136 WeakPolarHBondContact CE-O 3.48Å; K53-V139 HydrophobicContact CG-CB 3.91Å; K53-V139 HydrophobicContact CG-CG1 3.79Å; K53-V139 HydrophobicContact CG-CG2 4.28Å; K53-D140 WeakPolarHBondContact CE-OD1 3.27Å; K53-D140 IonicContact NZ-OD1 2.78Å; K53-D140 PolarHBondContact NZ-OD1 3.4Å; K53-D140 IonicContact NZ-OD2 3.61Å; K53-D140 PolarHBondContact NZ-OD2 3.01Å; K53-D268 WeakPolarHBondContact CD-OD2 3.45Å; K53-D268 IonicContact NZ-OD1 3.38Å; K53-D268 PolarHBondContact NZ-OD1 3.01Å; K53-D268 IonicContact NZ-OD2 2.75Å; K53-D268 PolarHBondContact NZ-OD2 2.8Å
54	A	86.7	Confident	81.6	Confident	61 Å²	61	70.4 Å²	70.4	50%	0.504	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-42.8	174.6	0	0	0	0	0	111.6	S50 Q51 R57 A58	S50-A54 PolarHBondContact O-N 3.26Å; Q51-A54 PolarHBondContact O-N 3.22Å; A54-R57 PolarHBondContact O-N 3.18Å; A54-A58 WeakPolarHBondContact O-CB 3.35Å; A54-A58 PolarHBondContact O-N 2.9Å
55	Q	86.9	Confident	82.7	Confident	112 Å²	112	68.6 Å²	68.6	52%	0.523	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-46.7	177.6	-169.9	-177.7	22	0	0	112.9	Q51 K52 K53 A58 F59	Q51-Q55 PolarHBondContact O-N 3.1Å; K52-Q55 PolarHBondContact O-N 3.14Å; K53-Q55 VanDerWaalsContact C-N 3.31Å; K53-Q55 PolarHBondContact O-N 3.4Å; Q55-A58 PolarHBondContact O-N 3.47Å; Q55-F59 HydrophobicContact CG-CE1 4.09Å; Q55-F59 HydrophobicContact CG-CZ 4.18Å; Q55-F59 WeakPolarHBondContact O-CD1 3.3Å
56	V	85.9	Confident	83.6	Confident	6 Å²	6	64.1 Å²	64.1	4%	0.036	33%	0.333	C	S	.	.	H	α-helix	trans	-72	-31.5	-179.4	-59.6	0	0	0	0	113	K52 K53 A58 F59 K67 L135 V139	K52-V56 PolarHBondContact O-N 2.94Å; K53-V56 WeakPolarHBondContact O-CG2 3.34Å; K53-V56 PolarHBondContact O-N 3.43Å; V56-A58 PolarHBondContact O-N 3.24Å; V56-F59 HydrophobicContact CB-CD2 4.28Å; V56-F59 HydrophobicContact CB-CE2 4.31Å; V56-F59 HydrophobicContact CG1-CD2 4.42Å; V56-F59 HydrophobicContact CG1-CE2 3.96Å; V56-F59 PolarHBondContact O-N 3.18Å; V56-K67 HydrophobicContact CG1-CD 4.36Å; V56-L135 HydrophobicContact CG2-CB 4.17Å; V56-V139 HydrophobicContact CG1-CG2 4.13Å; V56-V139 HydrophobicContact CG2-CG2 3.68Å
57	R	87.1	Confident	84.5	Confident	94 Å²	94	62.8 Å²	62.8	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-67.3	-26.9	174.6	-71.8	173.8	179.3	158.8	2.7	112.3	K53 A54 K64 N132	K53-R57 WeakPolarHBondContact O-CB 3.46Å; K53-R57 VanDerWaalsContact O-CG 3.26Å; K53-R57 WeakPolarHBondContact O-CG 3.5Å; K53-R57 PolarHBondContact O-N 2.93Å; A54-R57 PolarHBondContact O-N 3.18Å; R57-K64 WeakPolarHBondContact O-CE 3.41Å; R57-K64 PolarHBondContact O-NZ 3.44Å; R57-N132 HydrophobicContact CG-CB 4.03Å; R57-N132 PolarHBondContact NE-O 3.32Å; R57-N132 VanDerWaalsContact NE-O 3.16Å
58	A	87.6	Confident	85.1	Confident	83 Å²	83	58.2 Å²	58.2	69%	0.686	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-0.9	176.2	0	0	0	0	0	114.8	A54 Q55 V56	A54-A58 WeakPolarHBondContact O-CB 3.35Å; A54-A58 PolarHBondContact O-N 2.9Å; Q55-A58 PolarHBondContact O-N 3.47Å; V56-A58 PolarHBondContact O-N 3.24Å
59	F	86.6	Confident	85.5	Confident	50 Å²	50	50.4 Å²	50.4	22%	0.219	28%	0.276	C	S	.	.	S	Bend	trans	-75.5	153.1	176.9	-69.4	-22.1	0	0	0	112.9	Q55 V56 K63 K64 K67	Q55-F59 HydrophobicContact CG-CE1 4.09Å; Q55-F59 HydrophobicContact CG-CZ 4.18Å; Q55-F59 WeakPolarHBondContact O-CD1 3.3Å; V56-F59 HydrophobicContact CB-CD2 4.28Å; V56-F59 HydrophobicContact CB-CE2 4.31Å; V56-F59 HydrophobicContact CG1-CD2 4.42Å; V56-F59 HydrophobicContact CG1-CE2 3.96Å; V56-F59 PolarHBondContact O-N 3.18Å; F59-K63 HydrophobicContact CB-CB 4.26Å; F59-K63 HydrophobicContact CB-CG 4.4Å; F59-K63 HydrophobicContact CD2-CD 4.2Å; F59-K63 HydrophobicContact CD2-CG 4.09Å; F59-K63 HydrophobicContact CG-CD 4.24Å; F59-K63 HydrophobicContact CG-CG 4.37Å; F59-K64 HydrophobicContact CB-CG 4.41Å; F59-K64 WeakPolarHBondContact O-CE 3.38Å; F59-K67 HydrophobicContact CD2-CD 4.47Å; F59-K67 HydrophobicContact CE2-CD 4.35Å
60	P	87.2	Confident	86.1	Confident	93 Å²	93	52.5 Å²	52.5	60%	0.604	29%	0.288	S	S	*	.			trans	-59.9	148.2	171.2	-22.5	33.6	0	0	0	112.5	A62 K63 K64	P60-A62 VanDerWaalsContact C-N 3.29Å; P60-A62 PolarHBondContact O-N 3.48Å; P60-A62 VanDerWaalsContact O-N 3.14Å; P60-K63 WeakPolarHBondContact O-CA 3.34Å; P60-K63 PolarHBondContact O-N 3.29Å; P60-K64 PolarHBondContact O-N 2.8Å; P60-K64 VanDerWaalsContact O-N 3.08Å
61	R	82.6	Confident	86.4	Confident	80 Å²	80	50.7 Å²	50.7	30%	0.302	27%	0.271	S	S	.	.	H	α-helix	trans	-50.6	-41.9	-174.8	-168.9	176.1	177.7	97.8	-5.5	113.5	K63 K64 L65 L123 E124 V126 E128 I131	R61-K63 VanDerWaalsContact C-N 3.32Å; R61-K63 PolarHBondContact O-N 2.6Å; R61-K64 WeakPolarHBondContact O-CA 3.5Å; R61-K64 VanDerWaalsContact O-CB 3.31Å; R61-K64 WeakPolarHBondContact O-CB 3.31Å; R61-K64 PolarHBondContact O-N 2.88Å; R61-K64 VanDerWaalsContact O-N 3.09Å; R61-L65 HydrophobicContact CG-CD1 4.35Å; R61-L65 HydrophobicContact CG-CG 4.48Å; R61-L65 WeakPolarHBondContact O-CG 3.43Å; R61-L65 PolarHBondContact O-N 2.89Å; R61-L123 PolarHBondContact NH2-O 2.89Å; R61-E124 PolarHBondContact NH2-O 3.44Å; R61-V126 PolarHBondContact NH1-O 3.07Å; R61-V126 PolarHBondContact NH2-O 2.82Å; R61-E128 WeakPolarHBondContact CD-OE1 3.27Å; R61-E128 IonicContact CZ-OE1 2.9Å; R61-E128 IonicContact NE-OE1 3.5Å; R61-E128 IonicContact NH1-OE1 3.62Å; R61-E128 PolarHBondContact NH1-OE1 2.99Å; R61-I131 VanDerWaalsContact NH1-CD1 3.32Å
62	A	84.6	Confident	86.5	Confident	53 Å²	53	44.7 Å²	44.7	44%	0.438	24%	0.244	S	C	.	.	H	α-helix	trans	-55.5	-43.5	175.2	0	0	0	0	0	113.3	P60 L65 E66 A102	P60-A62 VanDerWaalsContact C-N 3.29Å; P60-A62 PolarHBondContact O-N 3.48Å; P60-A62 VanDerWaalsContact O-N 3.14Å; A62-L65 PolarHBondContact O-N 3.02Å; A62-E66 PolarHBondContact O-N 3.28Å; A62-A102 HydrophobicContact CB-CB 4.08Å
63	K	85.8	Confident	86.7	Confident	36 Å²	36	42.7 Å²	42.7	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-76	-24.9	178.3	-167.6	163.7	-171.7	162.9	0	113	F59 P60 R61 K67 Q100 A102	F59-K63 HydrophobicContact CB-CB 4.26Å; F59-K63 HydrophobicContact CB-CG 4.4Å; F59-K63 HydrophobicContact CD2-CD 4.2Å; F59-K63 HydrophobicContact CD2-CG 4.09Å; F59-K63 HydrophobicContact CG-CD 4.24Å; F59-K63 HydrophobicContact CG-CG 4.37Å; P60-K63 WeakPolarHBondContact O-CA 3.34Å; P60-K63 PolarHBondContact O-N 3.29Å; R61-K63 VanDerWaalsContact C-N 3.32Å; R61-K63 PolarHBondContact O-N 2.6Å; K63-K67 PolarHBondContact O-N 3.31Å; K63-Q100 PolarHBondContact NZ-O 2.88Å; K63-A102 HydrophobicContact CB-CB 4.05Å
64	K	87.6	Confident	86.8	Confident	10 Å²	10	43 Å²	43	4%	0.043	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-48.9	167.2	-59.9	-168.8	-177.4	-171.6	0	110.3	R57 F59 P60 R61 K67 L68 E128 I131 N132 L135	R57-K64 WeakPolarHBondContact O-CE 3.41Å; R57-K64 PolarHBondContact O-NZ 3.44Å; F59-K64 HydrophobicContact CB-CG 4.41Å; F59-K64 WeakPolarHBondContact O-CE 3.38Å; P60-K64 PolarHBondContact O-N 2.8Å; P60-K64 VanDerWaalsContact O-N 3.08Å; R61-K64 WeakPolarHBondContact O-CA 3.5Å; R61-K64 VanDerWaalsContact O-CB 3.31Å; R61-K64 WeakPolarHBondContact O-CB 3.31Å; R61-K64 PolarHBondContact O-N 2.88Å; R61-K64 VanDerWaalsContact O-N 3.09Å; K64-K67 PolarHBondContact O-N 3.04Å; K64-L68 WeakPolarHBondContact O-CG 3.22Å; K64-L68 PolarHBondContact O-N 3.05Å; K64-E128 IonicContact NZ-OE2 3.24Å; K64-E128 PolarHBondContact NZ-OE2 2.97Å; K64-I131 HydrophobicContact CB-CG2 3.86Å; K64-I131 HydrophobicContact CD-CG2 3.65Å; K64-I131 HydrophobicContact CG-CG2 4.38Å; K64-N132 PolarHBondContact NZ-OD1 3.32Å; K64-L135 HydrophobicContact CB-CD1 3.85Å; K64-L135 HydrophobicContact CD-CD1 3.7Å; K64-L135 HydrophobicContact CG-CD1 3.67Å
65	L	86.7	Confident	86.8	Confident	15 Å²	15	46.3 Å²	46.3	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-44.2	179.7	-66.4	172.8	0	0	0	112	R61 A62 K67 L68 G69 V120 L123	R61-L65 HydrophobicContact CG-CD1 4.35Å; R61-L65 HydrophobicContact CG-CG 4.48Å; R61-L65 WeakPolarHBondContact O-CG 3.43Å; R61-L65 PolarHBondContact O-N 2.89Å; A62-L65 PolarHBondContact O-N 3.02Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.17Å; L65-L68 PolarHBondContact O-N 2.93Å; L65-L68 VanDerWaalsContact O-N 3.17Å; L65-G69 PolarHBondContact O-N 3.37Å; L65-V120 HydrophobicContact CB-CB 4.42Å; L65-V120 HydrophobicContact CB-CG1 4.42Å; L65-V120 HydrophobicContact CB-CG2 4.37Å; L65-V120 HydrophobicContact CD2-CB 4.34Å; L65-V120 WeakPolarHBondContact O-CG1 3.49Å; L65-L123 HydrophobicContact CD2-CB 3.59Å; L65-L123 HydrophobicContact CD2-CD1 4.19Å
66	E	88.1	Confident	86.5	Confident	31 Å²	31	42.8 Å²	42.8	15%	0.145	24%	0.236	C	C	.	.	H	α-helix	trans	-52.5	-47.9	172.9	-175.6	-165.9	154	0	0	111.8	A62 L68 G69 W85 A102 A103 L116	A62-E66 PolarHBondContact O-N 3.28Å; E66-L68 PolarHBondContact O-N 3.41Å; E66-G69 PolarHBondContact O-N 2.97Å; E66-W85 HydrophobicContact CG-CZ3 4.05Å; E66-A102 WeakPolarHBondContact OE2-CA 3.35Å; E66-A103 HydrophobicContact CG-CB 3.9Å; E66-A103 PolarHBondContact OE2-N 2.91Å; E66-L116 HydrophobicContact CB-CD2 4.45Å
67	K	87.3	Confident	86.2	Confident	59 Å²	59	44.5 Å²	44.5	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-65.9	-35.7	179.2	-82	-168.1	158.1	-66.8	0	113.8	V56 F59 K63 K64 L65 L135 E142	V56-K67 HydrophobicContact CG1-CD 4.36Å; F59-K67 HydrophobicContact CD2-CD 4.47Å; F59-K67 HydrophobicContact CE2-CD 4.35Å; K63-K67 PolarHBondContact O-N 3.31Å; K64-K67 PolarHBondContact O-N 3.04Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.17Å; K67-L135 HydrophobicContact CB-CD2 4Å; K67-E142 IonicContact NZ-OE1 3.36Å
68	L	87.3	Confident	85.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-74	-39.2	176.5	-67.4	179.6	0	0	0	111.5	K64 L65 E66 V70 F71 S72 L123 I131 L134 L135 V138	K64-L68 WeakPolarHBondContact O-CG 3.22Å; K64-L68 PolarHBondContact O-N 3.05Å; L65-L68 PolarHBondContact O-N 2.93Å; L65-L68 VanDerWaalsContact O-N 3.17Å; E66-L68 PolarHBondContact O-N 3.41Å; L68-V70 PolarHBondContact O-N 3.03Å; L68-F71 PolarHBondContact O-N 3.4Å; L68-S72 PolarHBondContact O-N 3.13Å; L68-S72 PolarHBondContact O-OG 2.94Å; L68-L123 HydrophobicContact CB-CD1 3.65Å; L68-L123 HydrophobicContact CD1-CD1 3.8Å; L68-L123 HydrophobicContact CG-CD1 4.37Å; L68-I131 HydrophobicContact CD1-CG2 3.94Å; L68-L134 HydrophobicContact CD1-CB 4.18Å; L68-L134 HydrophobicContact CD1-CD1 4.48Å; L68-L134 HydrophobicContact CD2-CB 3.64Å; L68-L135 HydrophobicContact CD2-CD2 3.99Å; L68-L135 HydrophobicContact CD2-CG 4.21Å; L68-L135 HydrophobicContact CG-CD2 4.04Å; L68-L135 HydrophobicContact CG-CG 4.36Å; L68-V138 HydrophobicContact CD2-CG2 3.88Å
69	G	86.1	Confident	85.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-52.7	-32.8	179	0	0	0	0	0	113.9	L65 E66 F71 S72 W85	L65-G69 PolarHBondContact O-N 3.37Å; E66-G69 PolarHBondContact O-N 2.97Å; G69-F71 PolarHBondContact O-N 2.93Å; G69-F71 VanDerWaalsContact O-N 3.11Å; G69-S72 PolarHBondContact O-N 3.22Å; G69-W85 WeakPolarHBondContact O-CB 3.36Å; G69-W85 PolarHBondContact O-N 2.57Å
70	V	88.7	Confident	85.4	Confident	46 Å²	46	49.4 Å²	49.4	28%	0.279	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.1	175.3	179	0	0	0	0	113.8	L68 G84 W85	L68-V70 PolarHBondContact O-N 3.03Å; V70-G84 VanDerWaalsContact O-CA 3.29Å; V70-G84 WeakPolarHBondContact O-CA 3.49Å; V70-W85 WeakPolarHBondContact CA-O 3.45Å; V70-W85 HydrophobicContact CG2-CE3 4.24Å
71	F	86.9	Confident	85.3	Confident	32 Å²	32	54 Å²	54	14%	0.14	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	1.1	-178.4	-59.4	-86.1	0	0	0	113.6	L68 G69 V138 V141 I171 L172	L68-F71 PolarHBondContact O-N 3.4Å; G69-F71 PolarHBondContact O-N 2.93Å; G69-F71 VanDerWaalsContact O-N 3.11Å; F71-V138 HydrophobicContact CD2-CG1 4.27Å; F71-V138 HydrophobicContact CD2-CG2 3.7Å; F71-V138 HydrophobicContact CE2-CB 4.38Å; F71-V138 HydrophobicContact CE2-CG1 3.66Å; F71-V138 HydrophobicContact CE2-CG2 3.93Å; F71-V138 HydrophobicContact CG-CG2 4.42Å; F71-V138 HydrophobicContact CZ-CG1 4.35Å; F71-V141 HydrophobicContact CE1-CG1 3.85Å; F71-V141 HydrophobicContact CZ-CG1 4.29Å; F71-I171 HydrophobicContact CB-CB 4.39Å; F71-I171 HydrophobicContact CB-CG2 3.56Å; F71-I171 HydrophobicContact CG-CG2 4.45Å; F71-L172 WeakPolarHBondContact O-CD1 3.31Å
72	S	87.1	Confident	85.5	Confident	3 Å²	3	51 Å²	51	2%	0.021	28%	0.28	C	S	.	.	S	Bend	trans	-95.4	148.5	-177.3	-70.3	0	0	0	0	113.4	L68 G69 N83 G84 H119	L68-S72 PolarHBondContact O-N 3.13Å; L68-S72 PolarHBondContact O-OG 2.94Å; G69-S72 PolarHBondContact O-N 3.22Å; S72-N83 CarbonylContact O-C 3.33Å; S72-G84 WeakPolarHBondContact O-CA 3.31Å; S72-G84 PolarHBondContact O-N 3.2Å; S72-H119 WeakPolarHBondContact CB-O 3.4Å
73	A	87.9	Confident	85.6	Confident	29 Å²	29	52.5 Å²	52.5	24%	0.24	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-72.8	141.6	173.5	0	0	0	0	0	111.6	C82 L172	A73-C82 CarbonylContact C-O 3.58Å; A73-C82 WeakPolarHBondContact CA-O 3.29Å; A73-L172 HydrophobicContact CB-CD1 3.85Å
74	C	88.7	Confident	85.7	Confident	9 Å²	9	51 Å²	51	6%	0.061	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-75.8	133.1	171	-174.6	0	0	0	0	110.6	C80 C82	C74-C80 VanDerWaalsContact SG-SG 3.65Å; C74-C82 HydrophobicContact CB-CB 3.77Å; C74-C82 PolarHBondContact N-O 3.22Å
75	K	85.6	Confident	85.7	Confident	130 Å²	130	50.7 Å²	50.7	57%	0.565	27%	0.274	S	S	*	.			trans	-114.2	17.3	179.3	-57.8	-169.2	179	-168.3	0	113.8	S77 D118 H122	K75-S77 VanDerWaalsContact C-N 3.31Å; K75-S77 PolarHBondContact O-N 3.28Å; K75-D118 PolarHBondContact N-O 3.46Å; K75-H122 HydrophobicContact CD-CB 4.47Å
76	A	81.1	Confident	85.6	Confident	39 Å²	39	54.3 Å²	54.3	32%	0.322	29%	0.289	S	S	.	.	S	Bend	trans	-66.4	-29.7	-178.2	0	0	0	0	0	114	H114 D118	A76-H114 HydrophobicContact CB-CB 3.76Å; A76-H114 WeakPolarHBondContact CB-CD2 3.27Å; A76-D118 HydrophobicContact CB-CB 3.8Å
77	S	80.9	Confident	85.4	Confident	42 Å²	42	55.2 Å²	55.2	29%	0.294	30%	0.295	S	S	.	.			trans	-159.4	144.9	179.3	47.8	0	0	0	0	110.5	K75 T79 C80	K75-S77 VanDerWaalsContact C-N 3.31Å; K75-S77 PolarHBondContact O-N 3.28Å; S77-T79 PolarHBondContact O-N 3.31Å; S77-C80 VanDerWaalsContact O-CB 3.27Å; S77-C80 WeakPolarHBondContact O-CB 3.19Å; S77-C80 PolarHBondContact O-N 2.94Å
78	D	75.3	Confident	84.9	Confident	182 Å²	182	54.6 Å²	54.6	97%	0.973	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.2	-178.4	-67	-36.5	0	0	0	113.9
79	T	82.6	Confident	84.2	Confident	122 Å²	122	60.1 Å²	60.1	75%	0.748	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.9	174.4	57	0	0	0	0	113.3	S77 K81	S77-T79 PolarHBondContact O-N 3.31Å; T79-K81 PolarHBondContact O-N 2.87Å
80	C	85.6	Confident	82.9	Confident	26 Å²	26	64 Å²	64	18%	0.176	35%	0.352	C	S	.	.			trans	-78.5	115.8	-175.6	-171.7	0	0	0	0	112.2	C74 S77 H114	C74-C80 VanDerWaalsContact SG-SG 3.65Å; S77-C80 VanDerWaalsContact O-CB 3.27Å; S77-C80 WeakPolarHBondContact O-CB 3.19Å; S77-C80 PolarHBondContact O-N 2.94Å; C80-H114 PolarHBondContact SG-ND1 3.31Å
81	K	85.1	Confident	81.3	Confident	190 Å²	190	66.4 Å²	66.4	83%	0.826	37%	0.368	S	S	*	.			trans	-97.9	24.4	179	-59.5	-177.1	-177.2	178.1	0	113.7	T79 N83	T79-K81 PolarHBondContact O-N 2.87Å; K81-N83 PolarHBondContact O-N 3.1Å
82	C	87.9	Confident	79.2	Confident	15 Å²	15	69.1 Å²	69.1	10%	0.101	39%	0.391	C	S	.	.			trans	-77.9	122.6	-177.7	-170.7	0	0	0	0	111.4	A73 C74 C112	A73-C82 CarbonylContact C-O 3.58Å; A73-C82 WeakPolarHBondContact CA-O 3.29Å; C74-C82 HydrophobicContact CB-CB 3.77Å; C74-C82 PolarHBondContact N-O 3.22Å; C82-C112 HydrophobicContact CB-CB 3.82Å; C82-C112 VanDerWaalsContact SG-SG 3.69Å
83	N	85.3	Confident	77	Confident	86 Å²	86	74 Å²	74	46%	0.46	43%	0.431	S	S	.	.			trans	-108.1	30.4	-176.5	-64.1	-48.1	0	0	0	113	S72 K81 L172	S72-N83 CarbonylContact O-C 3.33Å; K81-N83 PolarHBondContact O-N 3.1Å; N83-L172 HydrophobicContact CB-CD1 4.12Å; N83-L172 HydrophobicContact CB-CD2 4.31Å
84	G	87.2	Confident	74.5	Confident	5 Å²	5	78.9 Å²	78.9	5%	0.052	46%	0.458	C	S	.	.	S	Bend	trans	157.7	125.6	176.6	0	0	0	0	0	113.4	V70 S72	V70-G84 VanDerWaalsContact O-CA 3.29Å; V70-G84 WeakPolarHBondContact O-CA 3.49Å; S72-G84 WeakPolarHBondContact O-CA 3.31Å; S72-G84 PolarHBondContact O-N 3.2Å
85	W	87.9	Confident	72.1	Confident	2 Å²	2	88.1 Å²	88.1	1%	0.008	49%	0.492	C	S	.	.			trans	-57.8	136.9	175.1	-179.3	88.3	0	0	0	111.2	E66 G69 V70 N87 A103 E107 C109 L116 H119	E66-W85 HydrophobicContact CG-CZ3 4.05Å; G69-W85 WeakPolarHBondContact O-CB 3.36Å; G69-W85 PolarHBondContact O-N 2.57Å; V70-W85 WeakPolarHBondContact CA-O 3.45Å; V70-W85 HydrophobicContact CG2-CE3 4.24Å; W85-N87 HydrophobicContact CE3-CB 4.36Å; W85-N87 HydrophobicContact CH2-CB 3.49Å; W85-N87 VanDerWaalsContact CH2-CB 3.49Å; W85-N87 HydrophobicContact CZ2-CB 4.22Å; W85-N87 HydrophobicContact CZ3-CB 3.57Å; W85-A103 HydrophobicContact CH2-CB 3.71Å; W85-A103 HydrophobicContact CZ2-CB 4.26Å; W85-E107 HydrophobicContact CZ2-CB 3.97Å; W85-E107 PolarHBondContact NE1-O 3.39Å; W85-E107 VanDerWaalsContact NE1-O 3.1Å; W85-C109 HydrophobicContact CG-CB 4.37Å; W85-L116 HydrophobicContact CB-CD1 4.04Å; W85-L116 HydrophobicContact CD2-CD1 3.81Å; W85-L116 HydrophobicContact CE3-CD1 4.2Å; W85-L116 HydrophobicContact CG-CB 4.45Å; W85-L116 HydrophobicContact CG-CD1 3.72Å; W85-H119 HydrophobicContact CB-CB 4.29Å; W85-H119 PolarHBondContact N-CD2 2.88Å
86	K	85.9	Confident	69.9	Low	92 Å²	92	89.8 Å²	89.8	40%	0.4	51%	0.505	S	S	.	.			trans	-119.4	113.2	176.1	-64.2	-56.1	177.3	-160.2	0	109.1	C109 R110 S111	K86-C109 PolarHBondContact N-SG 3.02Å; K86-R110 HydrophobicContact CB-CB 4.02Å; K86-R110 PolarHBondContact O-N 3.31Å; K86-S111 WeakPolarHBondContact CG-OG 3.31Å
87	N	83.5	Confident	67.6	Low	50 Å²	50	94.2 Å²	94.2	27%	0.267	52%	0.524	S	S	.	.			trans	-52.5	122.8	177.7	-169	-37.1	0	0	0	109.8	W85 N89	W85-N87 HydrophobicContact CE3-CB 4.36Å; W85-N87 HydrophobicContact CH2-CB 3.49Å; W85-N87 VanDerWaalsContact CH2-CB 3.49Å; W85-N87 HydrophobicContact CZ2-CB 4.22Å; W85-N87 HydrophobicContact CZ3-CB 3.57Å; N87-N89 PolarHBondContact O-N 2.83Å; N87-N89 WeakPolarHBondContact OD1-CA 3.34Å; N87-N89 PolarHBondContact OD1-N 2.87Å; N87-N89 PolarHBondContact OD1-O 2.92Å
88	P	76.8	Confident	65.7	Low	45 Å²	45	100 Å²	100	29%	0.292	55%	0.551	S	S	.	*	S	Bend	trans	-67.9	-24.4	178.8	27.9	-34.4	0	0	0	112.5	P90 P108	P88-P90 VanDerWaalsContact C-CD 3.49Å; P88-P90 WeakPolarHBondContact O-CD 3.4Å; P88-P108 WeakPolarHBondContact CD-O 3.49Å; P88-P108 WeakPolarHBondContact CG-O 3.38Å
89	N	72.1	Confident	64.3	Low	118 Å²	118	99.9 Å²	99.9	63%	0.631	54%	0.544	S	S	*	.	S	Bend	trans	-106.1	78.2	177.8	-63.8	-47.9	0	0	0	110.5	N87	N87-N89 PolarHBondContact O-N 2.83Å; N87-N89 WeakPolarHBondContact OD1-CA 3.34Å; N87-N89 PolarHBondContact OD1-N 2.87Å; N87-N89 PolarHBondContact OD1-O 2.92Å
90	P	58.8	Low	63	Low	81 Å²	81	99.2 Å²	99.2	53%	0.526	53%	0.533	S	S	.	.			trans	-61.4	138.7	179.2	26.6	-35	0	0	0	111	P88 S92	P88-P90 VanDerWaalsContact C-CD 3.49Å; P88-P90 WeakPolarHBondContact O-CD 3.4Å; P90-S92 PolarHBondContact O-N 2.8Å; P90-S92 VanDerWaalsContact O-N 3.1Å
91	P	55.6	Low	61.8	Low	96 Å²	96	106.7 Å²	106.7	62%	0.623	57%	0.565	S	S	*	*			trans	-66	114	177.9	26	-33.3	0	0	0	110.5
92	S	42	Very low	60.9	Low	89 Å²	89	99.6 Å²	99.6	62%	0.622	54%	0.542	S	S	*	.			trans	-59.3	141.2	169	-70	0	0	0	0	110.7	P90 T94 R95	P90-S92 PolarHBondContact O-N 2.8Å; P90-S92 VanDerWaalsContact O-N 3.1Å; S92-T94 PolarHBondContact O-N 2.82Å; S92-R95 PolarHBondContact O-N 3.15Å
93	A	41.5	Very low	60.2	Low	105 Å²	105	99.5 Å²	99.5	87%	0.868	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-5.9	-172	0	0	0	0	0	115.8
94	T	36	Very low	59.8	Low	132 Å²	132	98.2 Å²	98.2	81%	0.81	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-1.6	-179.8	38.9	0	0	0	0	115.1	S92	S92-T94 PolarHBondContact O-N 2.82Å
95	R	38.6	Very low	59.4	Low	203 Å²	203	101.6 Å²	101.6	77%	0.766	56%	0.556	S	S	*	*			trans	-123.2	78	177.7	-73.5	-170.8	176.6	175.1	-0.3	113.5	S92 D97	S92-R95 PolarHBondContact O-N 3.15Å; R95-D97 VanDerWaalsContact C-N 3.32Å; R95-D97 PolarHBondContact O-N 2.88Å
96	I	38.8	Very low	59.1	Low	165 Å²	165	105.8 Å²	105.8	85%	0.846	59%	0.586	S	S	*	*			trans	-91.5	75.1	157.5	-53.9	177.2	0	0	0	107.3
97	D	31.7	Very low	59.1	Low	133 Å²	133	103.6 Å²	103.6	71%	0.711	58%	0.577	S	S	*	*			trans	-108.7	140	172.3	-125	-33.3	0	0	0	109.9	R95 Q99	R95-D97 VanDerWaalsContact C-N 3.32Å; R95-D97 PolarHBondContact O-N 2.88Å; D97-Q99 PolarHBondContact O-N 3.34Å
98	L	42.1	Very low	59.2	Low	164 Å²	164	104.4 Å²	104.4	86%	0.859	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	12.5	-158.9	-134.3	78.5	0	0	0	115
99	Q	44.8	Very low	59.7	Low	178 Å²	178	102.4 Å²	102.4	83%	0.832	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.5	49.7	-169.9	-150.1	158.8	20.3	0	0	113.1	D97 Q101	D97-Q99 PolarHBondContact O-N 3.34Å; Q99-Q101 PolarHBondContact O-N 2.77Å
100	Q	55.6	Low	60.5	Low	109 Å²	109	106 Å²	106	51%	0.509	58%	0.577	S	S	.	*			trans	-52.9	114.7	161	-76	174.4	-16.5	0	0	109.4	K63	K63-Q100 PolarHBondContact NZ-O 2.88Å
101	Q	60.8	Low	61.7	Low	183 Å²	183	106 Å²	106	86%	0.855	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-56	146.8	164.2	-74.9	172.5	-39.6	0	0	108.8	Q99	Q99-Q101 PolarHBondContact O-N 2.77Å
102	A	65.4	Low	63.2	Low	41 Å²	41	103.1 Å²	103.1	34%	0.339	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-67.6	140.5	175.2	0	0	0	0	0	109.5	A62 K63 E66	A62-A102 HydrophobicContact CB-CB 4.08Å; K63-A102 HydrophobicContact CB-CB 4.05Å; E66-A102 WeakPolarHBondContact OE2-CA 3.35Å
103	A	73.8	Confident	65.3	Low	13 Å²	13	101.4 Å²	101.4	11%	0.107	56%	0.557	C	S	.	*	P	Polyproline II helix	trans	-57.5	143.3	173.4	0	0	0	0	0	110.9	E66 W85 E107 L116	E66-A103 HydrophobicContact CG-CB 3.9Å; E66-A103 PolarHBondContact OE2-N 2.91Å; W85-A103 HydrophobicContact CH2-CB 3.71Å; W85-A103 HydrophobicContact CZ2-CB 4.26Å; A103-E107 WeakPolarHBondContact CA-OE1 3.37Å; A103-L116 HydrophobicContact CB-CD2 4.24Å
104	S	76.6	Confident	67.5	Low	59 Å²	59	99.2 Å²	99.2	41%	0.413	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-68.6	142.1	174.8	-178.2	0	0	0	0	110.2	S106 E107	S104-S106 PolarHBondContact O-N 3.35Å; S104-S106 PolarHBondContact OG-N 2.82Å; S104-S106 PolarHBondContact OG-OG 2.98Å; S104-E107 PolarHBondContact N-OE1 3.13Å; S104-E107 WeakPolarHBondContact O-CB 3.18Å; S104-E107 PolarHBondContact O-N 3.46Å
105	L	78.6	Confident	70.1	Confident	76 Å²	76	94.1 Å²	94.1	40%	0.398	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.6	176.4	-67.2	175.8	0	0	0	112.9	L116 A117 V120	L105-L116 HydrophobicContact CD2-CD2 4.24Å; L105-L116 HydrophobicContact CD2-CG 4.24Å; L105-L116 PolarHBondContact O-N 3.02Å; L105-A117 HydrophobicContact CB-CB 4.34Å; L105-A117 PolarHBondContact O-N 3.23Å; L105-V120 HydrophobicContact CD2-CG2 3.9Å
106	S	81.4	Confident	72.4	Confident	90 Å²	90	84.5 Å²	84.5	63%	0.629	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.1	174.7	55.5	0	0	0	0	115.2	S104	S104-S106 PolarHBondContact O-N 3.35Å; S104-S106 PolarHBondContact OG-N 2.82Å; S104-S106 PolarHBondContact OG-OG 2.98Å
107	E	85.7	Confident	74.6	Confident	46 Å²	46	78.5 Å²	78.5	22%	0.215	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-71.5	126.4	-176.7	-77.7	179.1	-135.5	0	0	112.7	W85 A103 S104 L116	W85-E107 HydrophobicContact CZ2-CB 3.97Å; W85-E107 PolarHBondContact NE1-O 3.39Å; W85-E107 VanDerWaalsContact NE1-O 3.1Å; A103-E107 WeakPolarHBondContact CA-OE1 3.37Å; S104-E107 PolarHBondContact N-OE1 3.13Å; S104-E107 WeakPolarHBondContact O-CB 3.18Å; S104-E107 PolarHBondContact O-N 3.46Å; E107-L116 PolarHBondContact O-N 2.91Å
108	P	86.6	Confident	77.3	Confident	67 Å²	67	74.7 Å²	74.7	44%	0.435	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-73.4	136.3	-176.4	30	-35.4	0	0	0	111.9	P88 R110 G113	P88-P108 WeakPolarHBondContact CD-O 3.49Å; P88-P108 WeakPolarHBondContact CG-O 3.38Å; P108-R110 PolarHBondContact O-N 2.99Å; P108-G113 WeakPolarHBondContact CB-O 3.33Å
109	C	87.6	Confident	79.4	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.014	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-68	125.3	174.4	178.2	0	0	0	0	110.9	W85 K86 S111 C112 G113 H114	W85-C109 HydrophobicContact CG-CB 4.37Å; K86-C109 PolarHBondContact N-SG 3.02Å; C109-S111 PolarHBondContact O-N 3.05Å; C109-S111 PolarHBondContact SG-N 3.45Å; C109-S111 VanDerWaalsContact SG-N 3.43Å; C109-C112 VanDerWaalsContact CB-SG 3.58Å; C109-C112 PolarHBondContact O-N 2.84Å; C109-C112 VanDerWaalsContact SG-SG 3.69Å; C109-G113 WeakPolarHBondContact O-CA 3.5Å; C109-G113 PolarHBondContact O-N 2.88Å; C109-H114 VanDerWaalsContact CB-O 3.3Å; C109-H114 WeakPolarHBondContact CB-O 3.5Å; C109-H114 PolarHBondContact N-O 3.37Å
110	R	87.8	Confident	81.5	Confident	194 Å²	194	58.7 Å²	58.7	73%	0.732	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.8	176.3	-176.4	176.2	174.5	-172.8	0	114	K86 P108	K86-R110 HydrophobicContact CB-CB 4.02Å; K86-R110 PolarHBondContact O-N 3.31Å; P108-R110 PolarHBondContact O-N 2.99Å
111	S	85.6	Confident	82.9	Confident	82 Å²	82	56 Å²	56	57%	0.573	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-22.7	-176.8	-61	0	0	0	0	115.2	K86 C109	K86-S111 WeakPolarHBondContact CG-OG 3.31Å; C109-S111 PolarHBondContact O-N 3.05Å; C109-S111 PolarHBondContact SG-N 3.45Å; C109-S111 VanDerWaalsContact SG-N 3.43Å
112	C	87.1	Confident	84.1	Confident	34 Å²	34	49.1 Å²	49.1	23%	0.23	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.3	0.7	-174.2	65.5	0	0	0	0	115.2	C82 C109 H114	C82-C112 HydrophobicContact CB-CB 3.82Å; C82-C112 VanDerWaalsContact SG-SG 3.69Å; C109-C112 VanDerWaalsContact CB-SG 3.58Å; C109-C112 PolarHBondContact O-N 2.84Å; C109-C112 VanDerWaalsContact SG-SG 3.69Å; C112-H114 PolarHBondContact O-N 3.27Å; C112-H114 PolarHBondContact O-ND1 3.49Å
113	G	84.8	Confident	84.9	Confident	53 Å²	53	47.3 Å²	47.3	55%	0.546	29%	0.285	S	S	.	.	S	Bend	trans	75.2	-26.7	180	0	0	0	0	0	115.4	P108 C109	P108-G113 WeakPolarHBondContact CB-O 3.33Å; C109-G113 WeakPolarHBondContact O-CA 3.5Å; C109-G113 PolarHBondContact O-N 2.88Å
114	H	88.4	Confident	85.2	Confident	60 Å²	60	52.7 Å²	52.7	28%	0.278	31%	0.308	S	S	.	.			trans	-67.5	154.5	-179.2	-54.7	120.9	0	0	0	113.5	A76 C80 C109 C112 D118	A76-H114 HydrophobicContact CB-CB 3.76Å; A76-H114 WeakPolarHBondContact CB-CD2 3.27Å; C80-H114 PolarHBondContact SG-ND1 3.31Å; C109-H114 VanDerWaalsContact CB-O 3.3Å; C109-H114 WeakPolarHBondContact CB-O 3.5Å; C109-H114 PolarHBondContact N-O 3.37Å; C112-H114 PolarHBondContact O-N 3.27Å; C112-H114 PolarHBondContact O-ND1 3.49Å; H114-D118 HydrophobicContact CB-CB 4.38Å
115	A	89.4	Confident	85.5	Confident	25 Å²	25	57.6 Å²	57.6	21%	0.207	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-71.5	160.6	-172.1	0	0	0	0	0	112.7	A117 D118 H119	A115-A117 HydrophobicContact CB-CB 4.38Å; A115-A117 PolarHBondContact O-N 3.12Å; A115-D118 PolarHBondContact N-OD2 2.78Å; A115-D118 PolarHBondContact O-N 2.95Å; A115-H119 PolarHBondContact O-ND1 2.89Å
116	L	86.8	Confident	85.9	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-57.5	-37.5	171	175.7	59.1	0	0	0	111.3	E66 W85 A103 L105 E107 D118 H119 V120	E66-L116 HydrophobicContact CB-CD2 4.45Å; W85-L116 HydrophobicContact CB-CD1 4.04Å; W85-L116 HydrophobicContact CD2-CD1 3.81Å; W85-L116 HydrophobicContact CE3-CD1 4.2Å; W85-L116 HydrophobicContact CG-CB 4.45Å; W85-L116 HydrophobicContact CG-CD1 3.72Å; A103-L116 HydrophobicContact CB-CD2 4.24Å; L105-L116 HydrophobicContact CD2-CD2 4.24Å; L105-L116 HydrophobicContact CD2-CG 4.24Å; L105-L116 PolarHBondContact O-N 3.02Å; E107-L116 PolarHBondContact O-N 2.91Å; L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.06Å; L116-H119 WeakPolarHBondContact O-CA 3.16Å; L116-H119 WeakPolarHBondContact O-CB 3.5Å; L116-H119 PolarHBondContact O-N 3.27Å; L116-V120 HydrophobicContact CD1-CG1 3.86Å; L116-V120 HydrophobicContact CG-CG1 4.47Å; L116-V120 WeakPolarHBondContact O-CG2 3.22Å; L116-V120 PolarHBondContact O-N 3.08Å; L116-V120 VanDerWaalsContact O-N 3.14Å
117	A	86.7	Confident	86.3	Confident	39 Å²	39	54.4 Å²	54.4	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-48.6	-47	173.2	0	0	0	0	0	112.6	L105 A115 H119 V120 S121	L105-A117 HydrophobicContact CB-CB 4.34Å; L105-A117 PolarHBondContact O-N 3.23Å; A115-A117 HydrophobicContact CB-CB 4.38Å; A115-A117 PolarHBondContact O-N 3.12Å; A117-H119 PolarHBondContact O-N 2.94Å; A117-H119 VanDerWaalsContact O-N 3.15Å; A117-V120 PolarHBondContact O-N 2.83Å; A117-S121 WeakPolarHBondContact O-CB 3.09Å; A117-S121 PolarHBondContact O-N 3.03Å
118	D	88.1	Confident	86.2	Confident	52 Å²	52	55.5 Å²	55.5	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-19.1	-178.8	-53.1	-47.9	0	0	0	113.5	K75 A76 H114 A115 L116	K75-D118 PolarHBondContact N-O 3.46Å; A76-D118 HydrophobicContact CB-CB 3.8Å; H114-D118 HydrophobicContact CB-CB 4.38Å; A115-D118 PolarHBondContact N-OD2 2.78Å; A115-D118 PolarHBondContact O-N 2.95Å; L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.06Å
119	H	85.7	Confident	86.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-91.3	-23.9	175.9	-60.9	72.1	0	0	0	112	S72 W85 A115 L116 A117 H122	S72-H119 WeakPolarHBondContact CB-O 3.4Å; W85-H119 HydrophobicContact CB-CB 4.29Å; W85-H119 PolarHBondContact N-CD2 2.88Å; A115-H119 PolarHBondContact O-ND1 2.89Å; L116-H119 WeakPolarHBondContact O-CA 3.16Å; L116-H119 WeakPolarHBondContact O-CB 3.5Å; L116-H119 PolarHBondContact O-N 3.27Å; A117-H119 PolarHBondContact O-N 2.94Å; A117-H119 VanDerWaalsContact O-N 3.15Å; H119-H122 PolarHBondContact O-CE1 3.16Å; H119-H122 PolarHBondContact O-ND1 3.16Å
120	V	88.6	Confident	86.1	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-116.6	-0.6	-174.3	-53.6	0	0	0	0	114.8	L65 L105 L116 A117 H122 L123 E124	L65-V120 HydrophobicContact CB-CB 4.42Å; L65-V120 HydrophobicContact CB-CG1 4.42Å; L65-V120 HydrophobicContact CB-CG2 4.37Å; L65-V120 HydrophobicContact CD2-CB 4.34Å; L65-V120 WeakPolarHBondContact O-CG1 3.49Å; L105-V120 HydrophobicContact CD2-CG2 3.9Å; L116-V120 HydrophobicContact CD1-CG1 3.86Å; L116-V120 HydrophobicContact CG-CG1 4.47Å; L116-V120 WeakPolarHBondContact O-CG2 3.22Å; L116-V120 PolarHBondContact O-N 3.08Å; L116-V120 VanDerWaalsContact O-N 3.14Å; A117-V120 PolarHBondContact O-N 2.83Å; V120-H122 PolarHBondContact O-N 3.41Å; V120-H122 VanDerWaalsContact O-N 3.13Å; V120-L123 HydrophobicContact CB-CD1 4.4Å; V120-L123 WeakPolarHBondContact O-CA 3.27Å; V120-L123 WeakPolarHBondContact O-CB 3.48Å; V120-L123 PolarHBondContact O-N 2.84Å; V120-E124 PolarHBondContact O-N 3.39Å
121	S	86.1	Confident	86.1	Confident	51 Å²	51	51.2 Å²	51.2	36%	0.357	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-49.9	-38.8	178.6	55.2	0	0	0	0	113.6	A117 L123 E124	A117-S121 WeakPolarHBondContact O-CB 3.09Å; A117-S121 PolarHBondContact O-N 3.03Å; S121-L123 PolarHBondContact O-N 3.01Å; S121-E124 WeakPolarHBondContact O-CB 3.45Å; S121-E124 PolarHBondContact O-N 2.92Å
122	H	84.4	Confident	86.3	Confident	40 Å²	40	48.8 Å²	48.8	19%	0.185	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-72.1	-8	177.3	70.5	-81.7	0	0	0	114.8	K75 H119 V120 V126 M174	K75-H122 HydrophobicContact CD-CB 4.47Å; H119-H122 PolarHBondContact O-CE1 3.16Å; H119-H122 PolarHBondContact O-ND1 3.16Å; V120-H122 PolarHBondContact O-N 3.41Å; V120-H122 VanDerWaalsContact O-N 3.13Å; H122-V126 VanDerWaalsContact O-CG2 3.27Å; H122-V126 WeakPolarHBondContact O-CG2 3.31Å; H122-M174 VanDerWaalsContact CD2-SD 3.5Å
123	L	83.2	Confident	86.4	Confident	2 Å²	2	50 Å²	50	1%	0.01	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-103.2	-9	176	-56.8	173	0	0	0	112.4	R61 L65 L68 V120 S121 N125 V126 L134 M174	R61-L123 PolarHBondContact NH2-O 2.89Å; L65-L123 HydrophobicContact CD2-CB 3.59Å; L65-L123 HydrophobicContact CD2-CD1 4.19Å; L68-L123 HydrophobicContact CB-CD1 3.65Å; L68-L123 HydrophobicContact CD1-CD1 3.8Å; L68-L123 HydrophobicContact CG-CD1 4.37Å; V120-L123 HydrophobicContact CB-CD1 4.4Å; V120-L123 WeakPolarHBondContact O-CA 3.27Å; V120-L123 WeakPolarHBondContact O-CB 3.48Å; V120-L123 PolarHBondContact O-N 2.84Å; S121-L123 PolarHBondContact O-N 3.01Å; L123-N125 PolarHBondContact O-N 3.26Å; L123-V126 PolarHBondContact O-N 3.14Å; L123-L134 HydrophobicContact CD2-CD1 3.89Å; L123-M174 HydrophobicContact CD2-CE 3.84Å; L123-M174 HydrophobicContact CD2-SD 4.23Å
124	E	80.3	Confident	86.5	Confident	127 Å²	127	47.6 Å²	47.6	59%	0.593	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-41.3	-174	-172.2	165.7	-156.5	0	0	112.3	R61 V120 S121	R61-E124 PolarHBondContact NH2-O 3.44Å; V120-E124 PolarHBondContact O-N 3.39Å; S121-E124 WeakPolarHBondContact O-CB 3.45Å; S121-E124 PolarHBondContact O-N 2.92Å
125	N	83.1	Confident	86.5	Confident	161 Å²	161	44.8 Å²	44.8	86%	0.861	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	10.9	179.7	-65.2	-34.1	0	0	0	114.1	L123	L123-N125 PolarHBondContact O-N 3.26Å
126	V	86.6	Confident	86.5	Confident	29 Å²	29	43.6 Å²	43.6	18%	0.176	24%	0.236	C	C	.	.	S	Bend	trans	-87.8	144	-176.1	177.4	0	0	0	0	111.1	R61 H122 L123 E130 I131 M174	R61-V126 PolarHBondContact NH1-O 3.07Å; R61-V126 PolarHBondContact NH2-O 2.82Å; H122-V126 VanDerWaalsContact O-CG2 3.27Å; H122-V126 WeakPolarHBondContact O-CG2 3.31Å; L123-V126 PolarHBondContact O-N 3.14Å; V126-E130 HydrophobicContact CG1-CB 3.59Å; V126-E130 HydrophobicContact CG1-CG 3.45Å; V126-E130 VanDerWaalsContact CG1-CG 3.45Å; V126-I131 HydrophobicContact CB-CG1 4.45Å; V126-I131 HydrophobicContact CG1-CG1 4.2Å; V126-M174 HydrophobicContact CG1-CE 4.41Å; V126-M174 HydrophobicContact CG2-CE 4.05Å
127	S	88.9	Confident	86.5	Confident	70 Å²	70	43.5 Å²	43.5	49%	0.49	24%	0.235	S	C	.	.			trans	-61.8	150.2	179.5	64.9	0	0	0	0	112.3	D129 E130 I131	S127-D129 PolarHBondContact O-N 2.74Å; S127-E130 PolarHBondContact O-N 3.41Å; S127-E130 WeakPolarHBondContact OG-CB 3.43Å; S127-E130 PolarHBondContact OG-N 3.09Å; S127-I131 PolarHBondContact O-N 3.02Å; S127-I131 VanDerWaalsContact O-N 3.09Å
128	E	85.1	Confident	86.7	Confident	70 Å²	70	41.8 Å²	41.8	33%	0.327	22%	0.221	S	C	.	.	H	α-helix	trans	-59.7	-33.3	178.1	-79.8	-68.5	139.1	0	0	112.4	R61 K64 I131 N132	R61-E128 WeakPolarHBondContact CD-OE1 3.27Å; R61-E128 IonicContact CZ-OE1 2.9Å; R61-E128 IonicContact NE-OE1 3.5Å; R61-E128 IonicContact NH1-OE1 3.62Å; R61-E128 PolarHBondContact NH1-OE1 2.99Å; K64-E128 IonicContact NZ-OE2 3.24Å; K64-E128 PolarHBondContact NZ-OE2 2.97Å; E128-I131 PolarHBondContact O-N 2.84Å; E128-N132 VanDerWaalsContact O-CB 3.28Å; E128-N132 WeakPolarHBondContact O-CB 3.39Å; E128-N132 PolarHBondContact O-N 3.3Å; E128-N132 PolarHBondContact O-ND2 2.95Å
129	D	85.7	Confident	86.8	Confident	127 Å²	127	39.4 Å²	39.4	68%	0.679	21%	0.208	S	C	*	.	H	α-helix	trans	-66	-40.1	177.8	-64.5	-46.2	0	0	0	112.7	S127 N132 R133	S127-D129 PolarHBondContact O-N 2.74Å; D129-N132 CarbonylContact O-C 3.54Å; D129-N132 WeakPolarHBondContact O-CB 3.26Å; D129-N132 PolarHBondContact O-N 3.28Å; D129-R133 PolarHBondContact O-N 2.85Å
130	E	86.4	Confident	86.9	Confident	46 Å²	46	39.4 Å²	39.4	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-71.9	-37.2	177.5	177.6	58.6	-165.4	0	0	111.4	V126 S127 N132 R133 L134	V126-E130 HydrophobicContact CG1-CB 3.59Å; V126-E130 HydrophobicContact CG1-CG 3.45Å; V126-E130 VanDerWaalsContact CG1-CG 3.45Å; S127-E130 PolarHBondContact O-N 3.41Å; S127-E130 WeakPolarHBondContact OG-CB 3.43Å; S127-E130 PolarHBondContact OG-N 3.09Å; E130-N132 VanDerWaalsContact C-N 3.32Å; E130-N132 PolarHBondContact O-N 3.02Å; E130-R133 WeakPolarHBondContact O-CB 3.21Å; E130-R133 PolarHBondContact O-N 2.86Å; E130-R133 IonicContact OE1-CZ 3.86Å; E130-R133 IonicContact OE1-NE 3.28Å; E130-R133 PolarHBondContact OE1-NE 2.87Å; E130-R133 IonicContact OE1-NH2 3.75Å; E130-R133 PolarHBondContact OE1-NH2 2.83Å; E130-R133 WeakPolarHBondContact OE2-CD 3.49Å; E130-R133 IonicContact OE2-CZ 2.7Å; E130-R133 IonicContact OE2-NE 3.71Å; E130-R133 PolarHBondContact OE2-NE 2.92Å; E130-R133 IonicContact OE2-NH2 2.66Å; E130-L134 WeakPolarHBondContact O-CG 3.37Å; E130-L134 PolarHBondContact O-N 3.29Å
131	I	87.4	Confident	87	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-42.1	168	-67.3	179.6	0	0	0	110.7	R61 K64 L68 V126 S127 E128 R133 L134 L135	R61-I131 VanDerWaalsContact NH1-CD1 3.32Å; K64-I131 HydrophobicContact CB-CG2 3.86Å; K64-I131 HydrophobicContact CD-CG2 3.65Å; K64-I131 HydrophobicContact CG-CG2 4.38Å; L68-I131 HydrophobicContact CD1-CG2 3.94Å; V126-I131 HydrophobicContact CB-CG1 4.45Å; V126-I131 HydrophobicContact CG1-CG1 4.2Å; S127-I131 PolarHBondContact O-N 3.02Å; S127-I131 VanDerWaalsContact O-N 3.09Å; E128-I131 PolarHBondContact O-N 2.84Å; I131-R133 VanDerWaalsContact C-N 3.3Å; I131-R133 PolarHBondContact O-N 3.08Å; I131-L134 PolarHBondContact O-N 2.9Å; I131-L135 HydrophobicContact CG2-CD1 4.1Å; I131-L135 HydrophobicContact CG2-CG 4.45Å; I131-L135 WeakPolarHBondContact O-CB 3.42Å; I131-L135 VanDerWaalsContact O-CG 3.29Å; I131-L135 WeakPolarHBondContact O-CG 3.2Å; I131-L135 PolarHBondContact O-N 2.85Å
132	N	89.4	Confident	87.1	Confident	31 Å²	31	39.4 Å²	39.4	17%	0.166	20%	0.202	C	C	.	.	H	α-helix	trans	-68.1	-26.7	177.3	-71	-31	0	0	0	113.2	R57 K64 E128 D129 E130 G136	R57-N132 HydrophobicContact CG-CB 4.03Å; R57-N132 PolarHBondContact NE-O 3.32Å; R57-N132 VanDerWaalsContact NE-O 3.16Å; K64-N132 PolarHBondContact NZ-OD1 3.32Å; E128-N132 VanDerWaalsContact O-CB 3.28Å; E128-N132 WeakPolarHBondContact O-CB 3.39Å; E128-N132 PolarHBondContact O-N 3.3Å; E128-N132 PolarHBondContact O-ND2 2.95Å; D129-N132 CarbonylContact O-C 3.54Å; D129-N132 WeakPolarHBondContact O-CB 3.26Å; D129-N132 PolarHBondContact O-N 3.28Å; E130-N132 VanDerWaalsContact C-N 3.32Å; E130-N132 PolarHBondContact O-N 3.02Å; N132-G136 PolarHBondContact O-N 2.8Å
133	R	89.1	Confident	87.3	Confident	58 Å²	58	39 Å²	39	22%	0.219	20%	0.202	C	C	.	.	H	α-helix	trans	-69	-54.1	169.7	-172.3	-174.2	73.6	92.7	-7.7	110.6	D129 E130 I131 L135 G136 M137 M174 S175	D129-R133 PolarHBondContact O-N 2.85Å; E130-R133 WeakPolarHBondContact O-CB 3.21Å; E130-R133 PolarHBondContact O-N 2.86Å; E130-R133 IonicContact OE1-CZ 3.86Å; E130-R133 IonicContact OE1-NE 3.28Å; E130-R133 PolarHBondContact OE1-NE 2.87Å; E130-R133 IonicContact OE1-NH2 3.75Å; E130-R133 PolarHBondContact OE1-NH2 2.83Å; E130-R133 WeakPolarHBondContact OE2-CD 3.49Å; E130-R133 IonicContact OE2-CZ 2.7Å; E130-R133 IonicContact OE2-NE 3.71Å; E130-R133 PolarHBondContact OE2-NE 2.92Å; E130-R133 IonicContact OE2-NH2 2.66Å; I131-R133 VanDerWaalsContact C-N 3.3Å; I131-R133 PolarHBondContact O-N 3.08Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.11Å; R133-G136 WeakPolarHBondContact O-CA 3.41Å; R133-G136 PolarHBondContact O-N 2.87Å; R133-M137 PolarHBondContact NH1-SD 3.46Å; R133-M137 PolarHBondContact O-N 2.76Å; R133-M174 PolarHBondContact NH2-O 2.64Å; R133-S175 PolarHBondContact NH1-O 3.2Å; R133-S175 PolarHBondContact NH2-O 3.31Å
134	L	88	Confident	87.6	Confident	3 Å²	3	39 Å²	39	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-37.8	179.3	-66	171.3	0	0	0	112.1	L68 L123 E130 I131 G136 M137 V138 M174	L68-L134 HydrophobicContact CD1-CB 4.18Å; L68-L134 HydrophobicContact CD1-CD1 4.48Å; L68-L134 HydrophobicContact CD2-CB 3.64Å; L123-L134 HydrophobicContact CD2-CD1 3.89Å; E130-L134 WeakPolarHBondContact O-CG 3.37Å; E130-L134 PolarHBondContact O-N 3.29Å; I131-L134 PolarHBondContact O-N 2.9Å; L134-G136 VanDerWaalsContact C-N 3.32Å; L134-G136 PolarHBondContact O-N 3.09Å; L134-M137 HydrophobicContact CD2-SD 4.25Å; L134-M137 WeakPolarHBondContact O-CB 3.45Å; L134-M137 PolarHBondContact O-N 2.82Å; L134-V138 PolarHBondContact O-N 3.01Å; L134-M174 HydrophobicContact CD1-CE 4.1Å; L134-M174 HydrophobicContact CD1-CG 4.47Å
135	L	88.3	Confident	87.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-33.9	171.9	-74.6	173.4	0	0	0	113.1	V56 K64 K67 L68 I131 R133 M137 V138 V139	V56-L135 HydrophobicContact CG2-CB 4.17Å; K64-L135 HydrophobicContact CB-CD1 3.85Å; K64-L135 HydrophobicContact CD-CD1 3.7Å; K64-L135 HydrophobicContact CG-CD1 3.67Å; K67-L135 HydrophobicContact CB-CD2 4Å; L68-L135 HydrophobicContact CD2-CD2 3.99Å; L68-L135 HydrophobicContact CD2-CG 4.21Å; L68-L135 HydrophobicContact CG-CD2 4.04Å; L68-L135 HydrophobicContact CG-CG 4.36Å; I131-L135 HydrophobicContact CG2-CD1 4.1Å; I131-L135 HydrophobicContact CG2-CG 4.45Å; I131-L135 WeakPolarHBondContact O-CB 3.42Å; I131-L135 VanDerWaalsContact O-CG 3.29Å; I131-L135 WeakPolarHBondContact O-CG 3.2Å; I131-L135 PolarHBondContact O-N 2.85Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.11Å; L135-M137 VanDerWaalsContact C-N 3.32Å; L135-V138 PolarHBondContact O-N 3.36Å; L135-V139 PolarHBondContact O-N 2.58Å; L135-V139 VanDerWaalsContact O-N 3.08Å
136	G	88.4	Confident	88	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.6	-45.8	170.1	0	0	0	0	0	111.3	K53 N132 R133 L134 V139 D140	K53-G136 WeakPolarHBondContact CE-O 3.48Å; N132-G136 PolarHBondContact O-N 2.8Å; R133-G136 WeakPolarHBondContact O-CA 3.41Å; R133-G136 PolarHBondContact O-N 2.87Å; L134-G136 VanDerWaalsContact C-N 3.32Å; L134-G136 PolarHBondContact O-N 3.09Å; G136-V139 PolarHBondContact O-N 3.48Å; G136-D140 PolarHBondContact O-N 3.28Å
137	M	88.1	Confident	88	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-39.3	176.3	-63.3	175.5	74.2	0	0	112.4	R133 L134 L135 D140 V141 L167 C170 I171 P177 S269	R133-M137 PolarHBondContact NH1-SD 3.46Å; R133-M137 PolarHBondContact O-N 2.76Å; L134-M137 HydrophobicContact CD2-SD 4.25Å; L134-M137 WeakPolarHBondContact O-CB 3.45Å; L134-M137 PolarHBondContact O-N 2.82Å; L135-M137 VanDerWaalsContact C-N 3.32Å; M137-D140 PolarHBondContact O-N 3Å; M137-V141 WeakPolarHBondContact O-CG2 3.36Å; M137-V141 PolarHBondContact O-N 2.87Å; M137-L167 HydrophobicContact CE-CD2 3.97Å; M137-C170 HydrophobicContact CE-CB 3.44Å; M137-C170 VanDerWaalsContact CE-CB 3.44Å; M137-I171 HydrophobicContact CB-CD1 3.83Å; M137-I171 HydrophobicContact CB-CG1 3.66Å; M137-I171 HydrophobicContact CE-CG1 4.11Å; M137-I171 HydrophobicContact SD-CG1 4.4Å; M137-P177 HydrophobicContact CE-CB 4.35Å; M137-P177 HydrophobicContact CE-CG 4.13Å; M137-S269 WeakPolarHBondContact CA-OG 3.12Å; M137-S269 WeakPolarHBondContact CG-OG 3.32Å; M137-S269 PolarHBondContact N-OG 2.95Å
138	V	89.5	Confident	88	Confident	3 Å²	3	31 Å²	31	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-45.8	174.7	167.9	0	0	0	0	111.5	L68 F71 L134 L135 D140 V141 E142 I171	L68-V138 HydrophobicContact CD2-CG2 3.88Å; F71-V138 HydrophobicContact CD2-CG1 4.27Å; F71-V138 HydrophobicContact CD2-CG2 3.7Å; F71-V138 HydrophobicContact CE2-CB 4.38Å; F71-V138 HydrophobicContact CE2-CG1 3.66Å; F71-V138 HydrophobicContact CE2-CG2 3.93Å; F71-V138 HydrophobicContact CG-CG2 4.42Å; F71-V138 HydrophobicContact CZ-CG1 4.35Å; L134-V138 PolarHBondContact O-N 3.01Å; L135-V138 PolarHBondContact O-N 3.36Å; V138-D140 VanDerWaalsContact C-N 3.26Å; V138-D140 PolarHBondContact O-N 3.08Å; V138-V141 PolarHBondContact O-N 2.63Å; V138-E142 WeakPolarHBondContact O-CG 3.01Å; V138-E142 PolarHBondContact O-N 2.91Å; V138-I171 HydrophobicContact CG2-CD1 3.98Å
139	V	90.1	Very high	88	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-35.1	175.8	174.8	0	0	0	0	111.2	K52 K53 V56 L135 G136 E142 N143	K52-V139 HydrophobicContact CB-CG1 4.23Å; K52-V139 HydrophobicContact CD-CG1 4.11Å; K52-V139 HydrophobicContact CG-CG1 4.08Å; K52-V139 HydrophobicContact CG-CG2 4.36Å; K53-V139 HydrophobicContact CG-CB 3.91Å; K53-V139 HydrophobicContact CG-CG1 3.79Å; K53-V139 HydrophobicContact CG-CG2 4.28Å; V56-V139 HydrophobicContact CG1-CG2 4.13Å; V56-V139 HydrophobicContact CG2-CG2 3.68Å; L135-V139 PolarHBondContact O-N 2.58Å; L135-V139 VanDerWaalsContact O-N 3.08Å; G136-V139 PolarHBondContact O-N 3.48Å; V139-E142 PolarHBondContact O-N 3.4Å; V139-N143 WeakPolarHBondContact O-CB 2.98Å; V139-N143 PolarHBondContact O-N 3.21Å; V139-N143 PolarHBondContact O-ND2 3.43Å; V139-N143 VanDerWaalsContact O-ND2 3.16Å
140	D	89.5	Confident	88.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69.5	-38	176	-71.5	-22.6	0	0	0	113.1	K53 G136 M137 V138 N143 L144 L167 N267 S269	K53-D140 WeakPolarHBondContact CE-OD1 3.27Å; K53-D140 IonicContact NZ-OD1 2.78Å; K53-D140 PolarHBondContact NZ-OD1 3.4Å; K53-D140 IonicContact NZ-OD2 3.61Å; K53-D140 PolarHBondContact NZ-OD2 3.01Å; G136-D140 PolarHBondContact O-N 3.28Å; M137-D140 PolarHBondContact O-N 3Å; V138-D140 VanDerWaalsContact C-N 3.26Å; V138-D140 PolarHBondContact O-N 3.08Å; D140-N143 PolarHBondContact O-N 3.22Å; D140-L144 WeakPolarHBondContact O-CB 3.39Å; D140-L144 PolarHBondContact O-N 2.97Å; D140-L167 HydrophobicContact CB-CD1 3.65Å; D140-N267 WeakPolarHBondContact CA-ND2 3.47Å; D140-N267 HydrophobicContact CB-CB 4.04Å; D140-N267 WeakPolarHBondContact CB-ND2 3.49Å; D140-N267 VanDerWaalsContact CG-ND2 3.26Å; D140-N267 WeakPolarHBondContact OD1-CA 3.46Å; D140-N267 PolarHBondContact OD1-ND2 3.1Å; D140-S269 VanDerWaalsContact OD2-CB 3.24Å; D140-S269 WeakPolarHBondContact OD2-CB 3.44Å; D140-S269 PolarHBondContact OD2-N 3.01Å; D140-S269 PolarHBondContact OD2-OG 3.05Å
141	V	90.3	Very high	88.2	Confident	4 Å²	4	35 Å²	35	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-44.7	171.1	168	0	0	0	0	111.2	F71 M137 V138 N143 L144 F145 F164 L167 I171	F71-V141 HydrophobicContact CE1-CG1 3.85Å; F71-V141 HydrophobicContact CZ-CG1 4.29Å; M137-V141 WeakPolarHBondContact O-CG2 3.36Å; M137-V141 PolarHBondContact O-N 2.87Å; V138-V141 PolarHBondContact O-N 2.63Å; V141-N143 PolarHBondContact O-N 3.22Å; V141-L144 PolarHBondContact O-N 3.38Å; V141-F145 WeakPolarHBondContact O-CB 3.37Å; V141-F145 PolarHBondContact O-N 2.8Å; V141-F164 HydrophobicContact CG1-CD2 3.84Å; V141-F164 HydrophobicContact CG1-CE2 3.59Å; V141-L167 HydrophobicContact CG2-CB 3.49Å; V141-L167 VanDerWaalsContact CG2-CB 3.49Å; V141-L167 HydrophobicContact CG2-CD1 4.25Å; V141-I171 HydrophobicContact CG2-CD1 3.79Å
142	E	87.5	Confident	88.1	Confident	54 Å²	54	44 Å²	44	25%	0.252	21%	0.206	S	C	.	.	H	α-helix	trans	-61.5	-42.3	174.6	-71.4	178.2	-179.2	0	0	111.7	K52 K67 V138 V139 M146	K52-E142 WeakPolarHBondContact CE-OE2 3.5Å; K52-E142 IonicContact NZ-OE2 2.75Å; K52-E142 PolarHBondContact NZ-OE2 3.31Å; K67-E142 IonicContact NZ-OE1 3.36Å; V138-E142 WeakPolarHBondContact O-CG 3.01Å; V138-E142 PolarHBondContact O-N 2.91Å; V139-E142 PolarHBondContact O-N 3.4Å; E142-M146 WeakPolarHBondContact O-CG 3.32Å; E142-M146 PolarHBondContact O-N 3.13Å; E142-M146 VanDerWaalsContact O-N 3.11Å
143	N	88.8	Confident	88	Confident	32 Å²	32	43.4 Å²	43.4	17%	0.171	20%	0.203	C	C	.	.	H	α-helix	trans	-65.9	-47.2	178.1	-72.4	-25.6	0	0	0	111.9	A49 V139 D140 V141 M146 S147	A49-N143 WeakPolarHBondContact CB-ND2 3.45Å; V139-N143 WeakPolarHBondContact O-CB 2.98Å; V139-N143 PolarHBondContact O-N 3.21Å; V139-N143 PolarHBondContact O-ND2 3.43Å; V139-N143 VanDerWaalsContact O-ND2 3.16Å; D140-N143 PolarHBondContact O-N 3.22Å; V141-N143 PolarHBondContact O-N 3.22Å; N143-M146 PolarHBondContact O-N 2.85Å; N143-S147 PolarHBondContact O-N 3.13Å; N143-S147 PolarHBondContact O-OG 3Å
144	L	88.6	Confident	87.9	Confident	1 Å²	1	45 Å²	45	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-39.4	177.2	-81.3	165	0	0	0	111.9	D140 V141 M146 S147 V148 Y160 L163 F164 L167 V263	D140-L144 WeakPolarHBondContact O-CB 3.39Å; D140-L144 PolarHBondContact O-N 2.97Å; V141-L144 PolarHBondContact O-N 3.38Å; L144-M146 VanDerWaalsContact C-N 3.31Å; L144-M146 PolarHBondContact O-N 3.28Å; L144-S147 PolarHBondContact O-N 3.14Å; L144-S147 VanDerWaalsContact O-N 3.13Å; L144-V148 WeakPolarHBondContact O-CG2 3.34Å; L144-V148 PolarHBondContact O-N 2.84Å; L144-Y160 HydrophobicContact CD2-CD1 4.12Å; L144-Y160 HydrophobicContact CD2-CG 4.26Å; L144-L163 HydrophobicContact CD1-CB 3.96Å; L144-L163 HydrophobicContact CD2-CB 4.47Å; L144-F164 HydrophobicContact CB-CB 4.31Å; L144-L167 HydrophobicContact CD1-CD1 3.72Å; L144-V263 HydrophobicContact CD2-CG1 3.91Å
145	F	87.3	Confident	87.8	Confident	88 Å²	88	45.6 Å²	45.6	39%	0.386	22%	0.222	S	C	.	.	H	α-helix	trans	-58.9	-42.7	174.3	-177.8	-98.5	0	0	0	111.7	V141 H149 F164	V141-F145 WeakPolarHBondContact O-CB 3.37Å; V141-F145 PolarHBondContact O-N 2.8Å; F145-H149 AromaticContact CD2-CE1 3.94Å; F145-H149 AromaticContact CE1-CE1 3.8Å; F145-H149 AromaticContact CE2-CE1 3.43Å; F145-H149 VanDerWaalsContact CE2-CE1 3.43Å; F145-H149 WeakPolarHBondContact CE2-CE1 3.47Å; F145-H149 AromaticContact CZ-CE1 3.33Å; F145-H149 WeakPolarHBondContact CZ-CE1 3.28Å; F145-H149 PolarHBondContact O-N 2.94Å; F145-H149 PolarHBondContact O-ND1 3.02Å; F145-F164 HydrophobicContact CB-CD2 4.05Å; F145-F164 HydrophobicContact CB-CE2 3.88Å; F145-F164 HydrophobicContact CD2-CD2 4.48Å; F145-F164 AromaticContact CD2-CE2 3.78Å; F145-F164 HydrophobicContact CD2-CE2 3.78Å; F145-F164 AromaticContact CD2-CZ 4Å; F145-F164 HydrophobicContact CD2-CZ 4Å; F145-F164 HydrophobicContact CG-CE2 4.26Å
146	M	86.2	Confident	87.9	Confident	97 Å²	97	45.5 Å²	45.5	48%	0.478	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-39.5	173	-71	-71	103.2	0	0	112.7	E142 N143 L144 H149 K150	E142-M146 WeakPolarHBondContact O-CG 3.32Å; E142-M146 PolarHBondContact O-N 3.13Å; E142-M146 VanDerWaalsContact O-N 3.11Å; N143-M146 PolarHBondContact O-N 2.85Å; L144-M146 VanDerWaalsContact C-N 3.31Å; L144-M146 PolarHBondContact O-N 3.28Å; M146-H149 PolarHBondContact O-N 2.88Å; M146-K150 WeakPolarHBondContact O-CG 3.38Å; M146-K150 PolarHBondContact O-N 3.12Å
147	S	85.8	Confident	88	Confident	18 Å²	18	49.7 Å²	49.7	13%	0.126	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-43.7	175.5	-62.3	0	0	0	0	112.2	N143 L144 H149 K150 E151	N143-S147 PolarHBondContact O-N 3.13Å; N143-S147 PolarHBondContact O-OG 3Å; L144-S147 PolarHBondContact O-N 3.14Å; L144-S147 VanDerWaalsContact O-N 3.13Å; S147-H149 PolarHBondContact O-N 2.86Å; S147-K150 PolarHBondContact O-N 2.62Å; S147-E151 WeakPolarHBondContact O-CB 3.47Å; S147-E151 PolarHBondContact O-N 3.02Å
148	V	89.8	Confident	88	Confident	16 Å²	16	55.7 Å²	55.7	10%	0.097	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-31.8	177.1	169.7	0	0	0	0	112.7	L144 K157 F161	L144-V148 WeakPolarHBondContact O-CG2 3.34Å; L144-V148 PolarHBondContact O-N 2.84Å; V148-K157 HydrophobicContact CG1-CG 4.25Å; V148-K157 WeakPolarHBondContact O-CE 3.45Å; V148-K157 PolarHBondContact O-NZ 2.92Å; V148-F161 HydrophobicContact CG2-CB 4.28Å
149	H	84.6	Confident	88	Confident	122 Å²	122	56.1 Å²	56.1	57%	0.565	27%	0.271	S	S	*	.	H	α-helix	trans	-83.8	-20.8	177.9	-73	78.7	0	0	0	113.7	F145 M146 S147	F145-H149 AromaticContact CD2-CE1 3.94Å; F145-H149 AromaticContact CE1-CE1 3.8Å; F145-H149 AromaticContact CE2-CE1 3.43Å; F145-H149 VanDerWaalsContact CE2-CE1 3.43Å; F145-H149 WeakPolarHBondContact CE2-CE1 3.47Å; F145-H149 AromaticContact CZ-CE1 3.33Å; F145-H149 WeakPolarHBondContact CZ-CE1 3.28Å; F145-H149 PolarHBondContact O-N 2.94Å; F145-H149 PolarHBondContact O-ND1 3.02Å; M146-H149 PolarHBondContact O-N 2.88Å; S147-H149 PolarHBondContact O-N 2.86Å
150	K	86.8	Confident	88.1	Confident	166 Å²	166	56.8 Å²	56.8	72%	0.722	27%	0.273	S	S	*	.	H	α-helix	trans	-97.6	-20.2	179.7	-70.8	-177.9	178.8	-172.5	0	114.1	M146 S147	M146-K150 WeakPolarHBondContact O-CG 3.38Å; M146-K150 PolarHBondContact O-N 3.12Å; S147-K150 PolarHBondContact O-N 2.62Å
151	E	88.3	Confident	88.1	Confident	40 Å²	40	61.5 Å²	61.5	19%	0.187	29%	0.294	C	S	.	.			trans	-80.4	127.6	-177	-162.8	65.3	-99.4	0	0	111.2	S147 T156 Y160	S147-E151 WeakPolarHBondContact O-CB 3.47Å; S147-E151 PolarHBondContact O-N 3.02Å; E151-T156 HydrophobicContact CG-CG2 3.67Å; E151-T156 WeakPolarHBondContact OE2-CG2 3.3Å; E151-Y160 HydrophobicContact CB-CD2 4.31Å; E151-Y160 HydrophobicContact CB-CE2 4.21Å; E151-Y160 HydrophobicContact CG-CD2 4.41Å; E151-Y160 HydrophobicContact CG-CE2 4.04Å; E151-Y160 WeakPolarHBondContact OE2-CE2 3.18Å
152	E	86.6	Confident	88.1	Confident	188 Å²	188	64.7 Å²	64.7	88%	0.879	31%	0.306	S	S	*	.			trans	-89.6	-33.2	180	-64.8	178	178	0	0	111.8	T154	E152-T154 PolarHBondContact O-N 3.12Å
153	D	86.7	Confident	88.2	Confident	19 Å²	19	62.1 Å²	62.1	10%	0.102	29%	0.294	C	S	.	.			trans	-72.5	125.6	-179.1	-180	86.6	0	0	0	111.7	D155 T156 K157 T234 T236	D153-D155 PolarHBondContact O-N 3.24Å; D153-D155 PolarHBondContact OD2-N 3.26Å; D153-T156 WeakPolarHBondContact OD2-CB 3.42Å; D153-T156 PolarHBondContact OD2-N 3.45Å; D153-T156 PolarHBondContact OD2-OG1 3.22Å; D153-K157 VanDerWaalsContact O-CB 3.23Å; D153-K157 WeakPolarHBondContact O-CB 3.38Å; D153-K157 PolarHBondContact O-N 3.5Å; D153-T234 HydrophobicContact CB-CG2 4.05Å; D153-T234 WeakPolarHBondContact OD1-CB 3.28Å; D153-T234 PolarHBondContact OD1-OG1 3.07Å; D153-T236 WeakPolarHBondContact OD1-CB 3.27Å; D153-T236 PolarHBondContact OD1-OG1 3.26Å
154	T	87.3	Confident	88.3	Confident	90 Å²	90	61.9 Å²	61.9	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-66.3	-39.3	-172.3	48.9	0	0	0	0	113	E152 Q158	E152-T154 PolarHBondContact O-N 3.12Å; T154-Q158 WeakPolarHBondContact O-CG 3.21Å; T154-Q158 PolarHBondContact O-N 3.04Å
155	D	86.6	Confident	88.3	Confident	16 Å²	16	67 Å²	67	9%	0.086	31%	0.313	C	S	.	.	H	α-helix	trans	-69.2	-47.7	-179.5	-74.4	-15.3	0	0	0	110.4	D153 K157 Q158 V159 P235 K251	D153-D155 PolarHBondContact O-N 3.24Å; D153-D155 PolarHBondContact OD2-N 3.26Å; D155-K157 VanDerWaalsContact C-N 3.32Å; D155-K157 PolarHBondContact O-N 3.12Å; D155-Q158 PolarHBondContact O-N 3.29Å; D155-V159 WeakPolarHBondContact O-CG2 3.07Å; D155-V159 PolarHBondContact O-N 3.14Å; D155-P235 HydrophobicContact CB-CG 4.19Å; D155-K251 WeakPolarHBondContact OD1-CE 3.37Å; D155-K251 IonicContact OD1-NZ 2.85Å; D155-K251 PolarHBondContact OD1-NZ 3.3Å; D155-K251 WeakPolarHBondContact OD2-CD 3.37Å; D155-K251 WeakPolarHBondContact OD2-CE 3.19Å; D155-K251 IonicContact OD2-NZ 3.77Å; D155-K251 PolarHBondContact OD2-NZ 3.48Å
156	T	88.9	Confident	88.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-43.2	176.2	-51.1	0	0	0	0	111.5	E151 D153 Q158 V159 Y160 Y254 L258	E151-T156 HydrophobicContact CG-CG2 3.67Å; E151-T156 WeakPolarHBondContact OE2-CG2 3.3Å; D153-T156 WeakPolarHBondContact OD2-CB 3.42Å; D153-T156 PolarHBondContact OD2-N 3.45Å; D153-T156 PolarHBondContact OD2-OG1 3.22Å; T156-Q158 PolarHBondContact O-N 2.74Å; T156-V159 PolarHBondContact O-N 2.94Å; T156-Y160 HydrophobicContact CG2-CD2 4.3Å; T156-Y160 HydrophobicContact CG2-CE1 4.12Å; T156-Y160 HydrophobicContact CG2-CE2 3.67Å; T156-Y160 PolarHBondContact O-N 3.18Å; T156-Y254 PolarHBondContact OG1-OH 3.4Å; T156-L258 HydrophobicContact CG2-CD1 4.02Å
157	K	90.1	Very high	88.6	Confident	87 Å²	87	58.9 Å²	58.9	38%	0.378	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-38.3	177.7	-174.7	170.8	-174.5	154.9	0	113.1	V148 D153 D155 F161	V148-K157 HydrophobicContact CG1-CG 4.25Å; V148-K157 WeakPolarHBondContact O-CE 3.45Å; V148-K157 PolarHBondContact O-NZ 2.92Å; D153-K157 VanDerWaalsContact O-CB 3.23Å; D153-K157 WeakPolarHBondContact O-CB 3.38Å; D153-K157 PolarHBondContact O-N 3.5Å; D155-K157 VanDerWaalsContact C-N 3.32Å; D155-K157 PolarHBondContact O-N 3.12Å; K157-F161 WeakPolarHBondContact O-CB 3.21Å; K157-F161 PolarHBondContact O-N 2.97Å
158	Q	89.5	Confident	88.6	Confident	127 Å²	127	63.6 Å²	63.6	59%	0.593	29%	0.291	S	S	*	.	H	α-helix	trans	-62.2	-42.3	174.1	-75.9	175.8	15.7	0	0	111.6	T154 D155 T156 F161 Y162	T154-Q158 WeakPolarHBondContact O-CG 3.21Å; T154-Q158 PolarHBondContact O-N 3.04Å; D155-Q158 PolarHBondContact O-N 3.29Å; T156-Q158 PolarHBondContact O-N 2.74Å; Q158-F161 PolarHBondContact O-N 3.34Å; Q158-Y162 WeakPolarHBondContact O-CB 3.46Å; Q158-Y162 PolarHBondContact O-N 2.87Å
159	V	89.9	Confident	88.5	Confident	11 Å²	11	67.6 Å²	67.6	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-47	177.9	-179.6	0	0	0	0	111.5	D155 T156 F161 Y162 L163 T255 L258	D155-V159 WeakPolarHBondContact O-CG2 3.07Å; D155-V159 PolarHBondContact O-N 3.14Å; T156-V159 PolarHBondContact O-N 2.94Å; V159-F161 VanDerWaalsContact C-N 3.29Å; V159-F161 PolarHBondContact O-N 3.07Å; V159-Y162 WeakPolarHBondContact O-CB 3.41Å; V159-Y162 PolarHBondContact O-N 2.94Å; V159-L163 HydrophobicContact CG1-CD1 4.18Å; V159-L163 WeakPolarHBondContact O-CG 3.32Å; V159-L163 PolarHBondContact O-N 3.19Å; V159-T255 HydrophobicContact CG2-CG2 3.8Å; V159-L258 HydrophobicContact CB-CD1 3.96Å; V159-L258 HydrophobicContact CG1-CB 3.82Å; V159-L258 HydrophobicContact CG1-CD1 4.03Å; V159-L258 HydrophobicContact CG2-CD1 4.14Å
160	Y	91.1	Very high	88.7	Confident	17 Å²	17	62 Å²	62	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-37.1	175.8	-64.6	-18.5	0	0	0	112.4	L144 E151 T156 L163 F164 L258 V263	L144-Y160 HydrophobicContact CD2-CD1 4.12Å; L144-Y160 HydrophobicContact CD2-CG 4.26Å; E151-Y160 HydrophobicContact CB-CD2 4.31Å; E151-Y160 HydrophobicContact CB-CE2 4.21Å; E151-Y160 HydrophobicContact CG-CD2 4.41Å; E151-Y160 HydrophobicContact CG-CE2 4.04Å; E151-Y160 WeakPolarHBondContact OE2-CE2 3.18Å; T156-Y160 HydrophobicContact CG2-CD2 4.3Å; T156-Y160 HydrophobicContact CG2-CE1 4.12Å; T156-Y160 HydrophobicContact CG2-CE2 3.67Å; T156-Y160 PolarHBondContact O-N 3.18Å; Y160-L163 PolarHBondContact O-N 3.44Å; Y160-F164 VanDerWaalsContact O-CB 3.26Å; Y160-F164 WeakPolarHBondContact O-CB 3.4Å; Y160-F164 PolarHBondContact O-N 3.45Å; Y160-L258 HydrophobicContact CE1-CD2 4.22Å; Y160-V263 HydrophobicContact CD1-CG2 3.94Å; Y160-V263 HydrophobicContact CE1-CG2 3.59Å
161	F	89.2	Confident	88.7	Confident	98 Å²	98	54.3 Å²	54.3	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-70.1	-33.9	175.9	-175.2	-115.1	0	0	0	112.8	V148 K157 Q158 V159 F164 K165	V148-F161 HydrophobicContact CG2-CB 4.28Å; K157-F161 WeakPolarHBondContact O-CB 3.21Å; K157-F161 PolarHBondContact O-N 2.97Å; Q158-F161 PolarHBondContact O-N 3.34Å; V159-F161 VanDerWaalsContact C-N 3.29Å; V159-F161 PolarHBondContact O-N 3.07Å; F161-F164 HydrophobicContact CD2-CD1 4.07Å; F161-F164 HydrophobicContact CE2-CD1 4.13Å; F161-F164 HydrophobicContact CE2-CE1 4.36Å; F161-K165 HydrophobicContact CD1-CD 4.25Å; F161-K165 HydrophobicContact CE1-CD 3.75Å; F161-K165 HydrophobicContact CE1-CG 4.43Å; F161-K165 HydrophobicContact CE2-CG 4.48Å; F161-K165 HydrophobicContact CZ-CD 3.94Å; F161-K165 HydrophobicContact CZ-CG 4.28Å; F161-K165 WeakPolarHBondContact O-CE 3.37Å; F161-K165 WeakPolarHBondContact O-CG 3.27Å; F161-K165 PolarHBondContact O-N 2.99Å; F161-K165 VanDerWaalsContact O-N 3.08Å
162	Y	90.7	Very high	88.6	Confident	71 Å²	71	55.2 Å²	55.2	28%	0.278	25%	0.254	S	S	.	.	H	α-helix	trans	-62.9	-50.6	170.1	168.1	-94.1	0	0	0	111.3	Q158 V159 F164 K165 L166 V179 E180	Q158-Y162 WeakPolarHBondContact O-CB 3.46Å; Q158-Y162 PolarHBondContact O-N 2.87Å; V159-Y162 WeakPolarHBondContact O-CB 3.41Å; V159-Y162 PolarHBondContact O-N 2.94Å; Y162-F164 VanDerWaalsContact C-N 3.33Å; Y162-F164 PolarHBondContact O-N 3.12Å; Y162-K165 PolarHBondContact O-N 2.9Å; Y162-K165 VanDerWaalsContact O-N 3.12Å; Y162-L166 HydrophobicContact CE1-CD2 4.32Å; Y162-L166 PolarHBondContact O-N 3.4Å; Y162-V179 HydrophobicContact CE1-CG1 4.1Å; Y162-E180 PolarHBondContact OH-N 2.95Å; Y162-E180 PolarHBondContact OH-O 2.84Å
163	L	89.8	Confident	88.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-37.2	178.9	-65.4	174.3	0	0	0	112.4	L144 V159 Y160 L166 L167 V179 V263 L270	L144-L163 HydrophobicContact CD1-CB 3.96Å; L144-L163 HydrophobicContact CD2-CB 4.47Å; V159-L163 HydrophobicContact CG1-CD1 4.18Å; V159-L163 WeakPolarHBondContact O-CG 3.32Å; V159-L163 PolarHBondContact O-N 3.19Å; Y160-L163 PolarHBondContact O-N 3.44Å; L163-L166 HydrophobicContact CD2-CD2 4.38Å; L163-L166 PolarHBondContact O-N 3.16Å; L163-L167 WeakPolarHBondContact O-CG 3.44Å; L163-L167 PolarHBondContact O-N 3.06Å; L163-V179 HydrophobicContact CD2-CG2 4.08Å; L163-V263 HydrophobicContact CD1-CB 3.9Å; L163-V263 HydrophobicContact CD1-CG1 3.81Å; L163-V263 HydrophobicContact CD1-CG2 3.87Å; L163-L270 HydrophobicContact CD1-CD1 4.29Å; L163-L270 HydrophobicContact CD2-CD1 4.22Å; L163-L270 HydrophobicContact CD2-CD2 4.46Å
164	F	89.9	Confident	88.3	Confident	27 Å²	27	53.5 Å²	53.5	12%	0.118	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-46.4	171.2	166.8	-94.8	0	0	0	112.1	V141 L144 F145 Y160 F161 Y162 R168	V141-F164 HydrophobicContact CG1-CD2 3.84Å; V141-F164 HydrophobicContact CG1-CE2 3.59Å; L144-F164 HydrophobicContact CB-CB 4.31Å; F145-F164 HydrophobicContact CB-CD2 4.05Å; F145-F164 HydrophobicContact CB-CE2 3.88Å; F145-F164 HydrophobicContact CD2-CD2 4.48Å; F145-F164 AromaticContact CD2-CE2 3.78Å; F145-F164 HydrophobicContact CD2-CE2 3.78Å; F145-F164 AromaticContact CD2-CZ 4Å; F145-F164 HydrophobicContact CD2-CZ 4Å; F145-F164 HydrophobicContact CG-CE2 4.26Å; Y160-F164 VanDerWaalsContact O-CB 3.26Å; Y160-F164 WeakPolarHBondContact O-CB 3.4Å; Y160-F164 PolarHBondContact O-N 3.45Å; F161-F164 HydrophobicContact CD2-CD1 4.07Å; F161-F164 HydrophobicContact CE2-CD1 4.13Å; F161-F164 HydrophobicContact CE2-CE1 4.36Å; Y162-F164 VanDerWaalsContact C-N 3.33Å; Y162-F164 PolarHBondContact O-N 3.12Å; F164-R168 VanDerWaalsContact O-CB 3.29Å; F164-R168 WeakPolarHBondContact O-CB 3.4Å; F164-R168 PolarHBondContact O-N 2.9Å
165	K	89.1	Confident	88.2	Confident	108 Å²	108	51.1 Å²	51.1	47%	0.47	23%	0.234	S	C	.	.	H	α-helix	trans	-65.1	-40.8	176	-74.8	-177.8	-64.8	176.8	0	111.9	F161 Y162 R168 K169	F161-K165 HydrophobicContact CD1-CD 4.25Å; F161-K165 HydrophobicContact CE1-CD 3.75Å; F161-K165 HydrophobicContact CE1-CG 4.43Å; F161-K165 HydrophobicContact CE2-CG 4.48Å; F161-K165 HydrophobicContact CZ-CD 3.94Å; F161-K165 HydrophobicContact CZ-CG 4.28Å; F161-K165 WeakPolarHBondContact O-CE 3.37Å; F161-K165 WeakPolarHBondContact O-CG 3.27Å; F161-K165 PolarHBondContact O-N 2.99Å; F161-K165 VanDerWaalsContact O-N 3.08Å; Y162-K165 PolarHBondContact O-N 2.9Å; Y162-K165 VanDerWaalsContact O-N 3.12Å; K165-R168 PolarHBondContact O-N 3.13Å; K165-K169 WeakPolarHBondContact O-CB 3.29Å; K165-K169 PolarHBondContact O-N 3.02Å
166	L	89.9	Confident	88	Confident	15 Å²	15	57.3 Å²	57.3	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-56.3	177.7	177.9	61.8	0	0	0	111.1	Y162 L163 R168 K169 C170 P177 V178 V179	Y162-L166 HydrophobicContact CE1-CD2 4.32Å; Y162-L166 PolarHBondContact O-N 3.4Å; L163-L166 HydrophobicContact CD2-CD2 4.38Å; L163-L166 PolarHBondContact O-N 3.16Å; L166-R168 VanDerWaalsContact C-N 3.3Å; L166-R168 PolarHBondContact O-N 3.39Å; L166-K169 WeakPolarHBondContact O-CB 3.46Å; L166-K169 PolarHBondContact O-N 3.24Å; L166-K169 VanDerWaalsContact O-N 3.13Å; L166-C170 PolarHBondContact O-N 2.93Å; L166-C170 PolarHBondContact O-SG 3Å; L166-C170 VanDerWaalsContact O-SG 3.32Å; L166-P177 HydrophobicContact CG-CB 4.43Å; L166-V178 WeakPolarHBondContact CD1-O 3.49Å; L166-V179 HydrophobicContact CD2-CG2 3.94Å
167	L	89.1	Confident	87.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-40.4	178.8	-68.7	-176.4	0	0	0	112	M137 D140 V141 L144 L163 C170 I171 P177 L270	M137-L167 HydrophobicContact CE-CD2 3.97Å; D140-L167 HydrophobicContact CB-CD1 3.65Å; V141-L167 HydrophobicContact CG2-CB 3.49Å; V141-L167 VanDerWaalsContact CG2-CB 3.49Å; V141-L167 HydrophobicContact CG2-CD1 4.25Å; L144-L167 HydrophobicContact CD1-CD1 3.72Å; L163-L167 WeakPolarHBondContact O-CG 3.44Å; L163-L167 PolarHBondContact O-N 3.06Å; L167-C170 PolarHBondContact O-N 2.98Å; L167-I171 VanDerWaalsContact O-CG1 3.31Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 3.28Å; L167-P177 HydrophobicContact CD2-CB 3.67Å; L167-P177 HydrophobicContact CD2-CG 3.79Å; L167-L270 HydrophobicContact CD2-CD2 3.76Å; L167-L270 HydrophobicContact CD2-CG 4.19Å; L167-L270 HydrophobicContact CG-CD2 4.35Å
168	R	87.2	Confident	87.4	Confident	118 Å²	118	57.8 Å²	57.8	45%	0.445	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-41.4	176	-175.8	178	175	-162.1	-4.2	112.5	F164 K165 L166 L172	F164-R168 VanDerWaalsContact O-CB 3.29Å; F164-R168 WeakPolarHBondContact O-CB 3.4Å; F164-R168 PolarHBondContact O-N 2.9Å; K165-R168 PolarHBondContact O-N 3.13Å; L166-R168 VanDerWaalsContact C-N 3.3Å; L166-R168 PolarHBondContact O-N 3.39Å; R168-L172 WeakPolarHBondContact O-CB 3.06Å; R168-L172 PolarHBondContact O-N 3.43Å; R168-L172 VanDerWaalsContact O-N 3.15Å
169	K	87.9	Confident	86.9	Confident	99 Å²	99	52.2 Å²	52.2	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-43.9	173.8	-178.1	-170.9	172.6	-163.4	0	110.5	K165 L166 L172 Q173	K165-K169 WeakPolarHBondContact O-CB 3.29Å; K165-K169 PolarHBondContact O-N 3.02Å; L166-K169 WeakPolarHBondContact O-CB 3.46Å; L166-K169 PolarHBondContact O-N 3.24Å; L166-K169 VanDerWaalsContact O-N 3.13Å; K169-L172 PolarHBondContact O-N 3.3Å; K169-Q173 VanDerWaalsContact CE-OE1 3.26Å; K169-Q173 WeakPolarHBondContact O-CB 3.44Å; K169-Q173 WeakPolarHBondContact O-CG 3.42Å; K169-Q173 PolarHBondContact O-N 3.44Å
170	C	87.6	Confident	85.6	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.034	27%	0.272	C	S	.	.	H	α-helix	trans	-69.2	-33.2	-179.6	-65.1	0	0	0	0	113.5	M137 L166 L167 M174 S175 P177	M137-C170 HydrophobicContact CE-CB 3.44Å; M137-C170 VanDerWaalsContact CE-CB 3.44Å; L166-C170 PolarHBondContact O-N 2.93Å; L166-C170 PolarHBondContact O-SG 3Å; L166-C170 VanDerWaalsContact O-SG 3.32Å; L167-C170 PolarHBondContact O-N 2.98Å; C170-M174 CarbonylContact O-C 3.38Å; C170-M174 WeakPolarHBondContact O-CA 3.15Å; C170-M174 PolarHBondContact O-N 3.37Å; C170-S175 WeakPolarHBondContact CA-OG 3.49Å; C170-S175 PolarHBondContact O-N 3.42Å; C170-S175 PolarHBondContact SG-OG 3.42Å; C170-S175 VanDerWaalsContact SG-OG 3.38Å; C170-P177 HydrophobicContact CB-CB 4.35Å
171	I	86.8	Confident	84.1	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-64.9	-45.9	170.1	-63.6	159.6	0	0	0	110.3	F71 M137 V138 V141 L167 Q173 M174	F71-I171 HydrophobicContact CB-CB 4.39Å; F71-I171 HydrophobicContact CB-CG2 3.56Å; F71-I171 HydrophobicContact CG-CG2 4.45Å; M137-I171 HydrophobicContact CB-CD1 3.83Å; M137-I171 HydrophobicContact CB-CG1 3.66Å; M137-I171 HydrophobicContact CE-CG1 4.11Å; M137-I171 HydrophobicContact SD-CG1 4.4Å; V138-I171 HydrophobicContact CG2-CD1 3.98Å; V141-I171 HydrophobicContact CG2-CD1 3.79Å; L167-I171 VanDerWaalsContact O-CG1 3.31Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 3.28Å; I171-Q173 VanDerWaalsContact C-N 3.25Å; I171-Q173 PolarHBondContact O-N 3.26Å; I171-M174 PolarHBondContact O-N 3.12Å
172	L	86.1	Confident	82.7	Confident	59 Å²	59	61 Å²	61	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-62.5	-31.4	179.6	-171.9	68.4	0	0	0	113	F71 A73 N83 R168 K169	F71-L172 WeakPolarHBondContact O-CD1 3.31Å; A73-L172 HydrophobicContact CB-CD1 3.85Å; N83-L172 HydrophobicContact CB-CD1 4.12Å; N83-L172 HydrophobicContact CB-CD2 4.31Å; R168-L172 WeakPolarHBondContact O-CB 3.06Å; R168-L172 PolarHBondContact O-N 3.43Å; R168-L172 VanDerWaalsContact O-N 3.15Å; K169-L172 PolarHBondContact O-N 3.3Å
173	Q	85.2	Confident	81.7	Confident	116 Å²	116	59 Å²	59	54%	0.542	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	0.2	-179.8	-65.3	-176.1	-37.5	0	0	114	K169 I171 S175	K169-Q173 VanDerWaalsContact CE-OE1 3.26Å; K169-Q173 WeakPolarHBondContact O-CB 3.44Å; K169-Q173 WeakPolarHBondContact O-CG 3.42Å; K169-Q173 PolarHBondContact O-N 3.44Å; I171-Q173 VanDerWaalsContact C-N 3.25Å; I171-Q173 PolarHBondContact O-N 3.26Å; Q173-S175 PolarHBondContact O-N 2.51Å; Q173-S175 VanDerWaalsContact O-N 3.09Å
174	M	82.7	Confident	81	Confident	55 Å²	55	60.8 Å²	60.8	27%	0.271	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	18.4	-168.6	-58.4	178.1	73.4	0	0	115.9	H122 L123 V126 R133 L134 C170 I171	H122-M174 VanDerWaalsContact CD2-SD 3.5Å; L123-M174 HydrophobicContact CD2-CE 3.84Å; L123-M174 HydrophobicContact CD2-SD 4.23Å; V126-M174 HydrophobicContact CG1-CE 4.41Å; V126-M174 HydrophobicContact CG2-CE 4.05Å; R133-M174 PolarHBondContact NH2-O 2.64Å; L134-M174 HydrophobicContact CD1-CE 4.1Å; L134-M174 HydrophobicContact CD1-CG 4.47Å; C170-M174 CarbonylContact O-C 3.38Å; C170-M174 WeakPolarHBondContact O-CA 3.15Å; C170-M174 PolarHBondContact O-N 3.37Å; I171-M174 PolarHBondContact O-N 3.12Å
175	S	85.4	Confident	80.4	Confident	41 Å²	41	64 Å²	64	29%	0.287	36%	0.355	S	S	.	.			trans	-80.2	168.3	-177	58.8	0	0	0	0	113.1	R133 C170 Q173	R133-S175 PolarHBondContact NH1-O 3.2Å; R133-S175 PolarHBondContact NH2-O 3.31Å; C170-S175 WeakPolarHBondContact CA-OG 3.49Å; C170-S175 PolarHBondContact O-N 3.42Å; C170-S175 PolarHBondContact SG-OG 3.42Å; C170-S175 VanDerWaalsContact SG-OG 3.38Å; Q173-S175 PolarHBondContact O-N 2.51Å; Q173-S175 VanDerWaalsContact O-N 3.09Å
176	Q	82.1	Confident	80.1	Confident	146 Å²	146	59.8 Å²	59.8	68%	0.682	34%	0.34	S	S	*	.			trans	-82.1	139.9	166.1	-67.8	-171.9	-1.5	0	0	109.6	V178	Q176-V178 PolarHBondContact O-N 3.03Å; Q176-V178 VanDerWaalsContact O-N 3.13Å
177	P	84.6	Confident	79.8	Confident	7 Å²	7	62.6 Å²	62.6	5%	0.045	36%	0.358	C	S	.	.			trans	-80.3	100.4	-176.7	33.2	-35.2	0	0	0	111.4	M137 L166 L167 C170 S269 L270 P271	M137-P177 HydrophobicContact CE-CB 4.35Å; M137-P177 HydrophobicContact CE-CG 4.13Å; L166-P177 HydrophobicContact CG-CB 4.43Å; L167-P177 HydrophobicContact CD2-CB 3.67Å; L167-P177 HydrophobicContact CD2-CG 3.79Å; C170-P177 HydrophobicContact CB-CB 4.35Å; P177-S269 WeakPolarHBondContact CG-O 3.34Å; P177-L270 HydrophobicContact CB-CD2 4Å; P177-L270 HydrophobicContact CG-CD2 4.18Å; P177-P271 VanDerWaalsContact O-CD 3.23Å; P177-P271 WeakPolarHBondContact O-CD 3.33Å
178	V	81.8	Confident	79.6	Confident	89 Å²	89	64.7 Å²	64.7	54%	0.539	37%	0.368	S	S	.	.			trans	-95	131.3	168	-177.3	0	0	0	0	108.6	L166 Q176 E180	L166-V178 WeakPolarHBondContact CD1-O 3.49Å; Q176-V178 PolarHBondContact O-N 3.03Å; Q176-V178 VanDerWaalsContact O-N 3.13Å; V178-E180 PolarHBondContact O-N 3.25Å
179	V	78.8	Confident	79.4	Confident	11 Å²	11	61 Å²	61	7%	0.067	36%	0.355	C	S	.	.			trans	-74.9	93	173.2	174.7	0	0	0	0	108.3	Y162 L163 L166 C259 Y260	Y162-V179 HydrophobicContact CE1-CG1 4.1Å; L163-V179 HydrophobicContact CD2-CG2 4.08Å; L166-V179 HydrophobicContact CD2-CG2 3.94Å; V179-C259 HydrophobicContact CG1-CB 4.24Å; V179-C259 HydrophobicContact CG2-CB 4.42Å; V179-Y260 HydrophobicContact CB-CE1 3.88Å; V179-Y260 WeakPolarHBondContact CB-OH 3.44Å; V179-Y260 HydrophobicContact CG1-CE1 4.36Å; V179-Y260 HydrophobicContact CG1-CE2 4.23Å; V179-Y260 WeakPolarHBondContact CG1-OH 3.49Å; V179-Y260 HydrophobicContact CG2-CE1 4.35Å; V179-Y260 PolarHBondContact O-OH 3.41Å
180	E	62.3	Low	79.1	Confident	129 Å²	129	64.2 Å²	64.2	60%	0.603	37%	0.37	S	S	*	.			trans	-82.8	130.5	174.7	-65.6	176	157.8	0	0	110.8	Y162 V178	Y162-E180 PolarHBondContact OH-N 2.95Å; Y162-E180 PolarHBondContact OH-O 2.84Å; V178-E180 PolarHBondContact O-N 3.25Å
181	G	60.5	Low	79	Confident	55 Å²	55	65 Å²	65	57%	0.567	38%	0.375	S	S	*	.	S	Bend	trans	154	176.5	169.5	0	0	0	0	0	115.8	L183 G184	G181-L183 PolarHBondContact O-N 3.5Å; G181-G184 PolarHBondContact O-N 3.36Å
182	S	60.2	Low	79	Confident	126 Å²	126	66 Å²	66	88%	0.881	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	8.2	-176.6	52.6	0	0	0	0	116.4	G184	S182-G184 VanDerWaalsContact C-N 3.34Å
183	L	69	Low	79.1	Confident	29 Å²	29	63.3 Å²	63.3	15%	0.152	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-20.2	176.6	-57.9	173.6	0	0	0	112.1	G181 L252 T255 R256	G181-L183 PolarHBondContact O-N 3.5Å; L183-L252 HydrophobicContact CD2-CD1 3.62Å; L183-T255 HydrophobicContact CD1-CG2 3.77Å; L183-T255 HydrophobicContact CD2-CG2 3.75Å; L183-T255 HydrophobicContact CG-CG2 4.44Å; L183-R256 HydrophobicContact CB-CG 4.36Å; L183-R256 VanDerWaalsContact O-CZ 3.32Å; L183-R256 PolarHBondContact O-NE 3.08Å; L183-R256 PolarHBondContact O-NH2 3.05Å
184	G	74.3	Confident	79.2	Confident	38 Å²	38	60.3 Å²	60.3	39%	0.392	35%	0.352	S	S	.	.			trans	78.7	165.6	-169.6	0	0	0	0	0	112.5	G181 S182 F188 Y260	G181-G184 PolarHBondContact O-N 3.36Å; S182-G184 VanDerWaalsContact C-N 3.34Å; G184-F188 WeakPolarHBondContact O-CE1 3.39Å; G184-Y260 PolarHBondContact O-OH 3.16Å
185	S	78.3	Confident	79.3	Confident	93 Å²	93	61.9 Å²	61.9	65%	0.65	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-98.4	148.7	175.7	50.2	0	0	0	0	111.7
186	P	83.6	Confident	79.2	Confident	21 Å²	21	60 Å²	60	14%	0.136	35%	0.345	C	S	.	.	S	Bend	trans	-65.4	152.1	172.8	26.7	-33.6	0	0	0	111.8	F188 Y260 Y273 V278	P186-F188 HydrophobicContact CB-CE2 3.98Å; P186-F188 HydrophobicContact CB-CZ 4.01Å; P186-F188 HydrophobicContact CG-CZ 4.45Å; P186-Y260 HydrophobicContact CG-CD1 4.07Å; P186-Y260 HydrophobicContact CG-CE1 4.33Å; P186-Y260 HydrophobicContact CG-CG 4.41Å; P186-Y273 HydrophobicContact CB-CD1 4.33Å; P186-Y273 HydrophobicContact CB-CE1 4.47Å; P186-Y273 HydrophobicContact CB-CG 4.46Å; P186-Y273 HydrophobicContact CG-CD1 4.03Å; P186-Y273 HydrophobicContact CG-CD2 3.89Å; P186-Y273 HydrophobicContact CG-CE1 3.84Å; P186-Y273 HydrophobicContact CG-CE2 3.68Å; P186-Y273 HydrophobicContact CG-CG 4.06Å; P186-V278 HydrophobicContact CB-CB 3.88Å; P186-V278 HydrophobicContact CB-CG1 3.55Å
187	P	83.2	Confident	79.3	Confident	73 Å²	73	53 Å²	53	47%	0.474	31%	0.313	S	S	.	.	P	Polyproline II helix	cis	-77.8	142.7	-1.4	32.5	-34.8	0	0	0	112.6
188	F	84.6	Confident	79.3	Confident	44 Å²	44	56.9 Å²	56.9	19%	0.193	33%	0.33	C	S	.	.			trans	-87	-25	-175.8	-54.8	-66.2	0	0	0	113.7	G184 P186 R256 Y260 V278 F279	G184-F188 WeakPolarHBondContact O-CE1 3.39Å; P186-F188 HydrophobicContact CB-CE2 3.98Å; P186-F188 HydrophobicContact CB-CZ 4.01Å; P186-F188 HydrophobicContact CG-CZ 4.45Å; F188-R256 HydrophobicContact CD1-CG 4.34Å; F188-R256 HydrophobicContact CD2-CB 4.45Å; F188-R256 HydrophobicContact CE1-CB 4.41Å; F188-R256 HydrophobicContact CE1-CG 3.87Å; F188-R256 HydrophobicContact CE2-CB 3.89Å; F188-R256 HydrophobicContact CE2-CG 4.23Å; F188-R256 HydrophobicContact CZ-CB 3.88Å; F188-R256 HydrophobicContact CZ-CG 3.83Å; F188-Y260 HydrophobicContact CE1-CE2 4.43Å; F188-Y260 HydrophobicContact CE2-CD2 4.2Å; F188-Y260 AromaticContact CZ-CD2 3.58Å; F188-Y260 HydrophobicContact CZ-CD2 3.58Å; F188-Y260 AromaticContact CZ-CE2 3.74Å; F188-Y260 HydrophobicContact CZ-CE2 3.74Å; F188-Y260 HydrophobicContact CZ-CG 4.33Å; F188-V278 WeakPolarHBondContact CB-O 3.49Å; F188-V278 HydrophobicContact CD2-CB 4.09Å; F188-V278 HydrophobicContact CD2-CG2 4.09Å; F188-V278 WeakPolarHBondContact CD2-O 3.36Å; F188-V278 HydrophobicContact CE2-CB 4.25Å; F188-V278 HydrophobicContact CE2-CG2 4.06Å; F188-V278 PolarHBondContact N-O 2.78Å; F188-F279 HydrophobicContact CB-CD1 4.47Å; F188-F279 AromaticContact CD2-CD1 3.96Å; F188-F279 HydrophobicContact CD2-CD1 3.96Å; F188-F279 AromaticContact CD2-CE1 3.59Å; F188-F279 HydrophobicContact CD2-CE1 3.59Å; F188-F279 HydrophobicContact CD2-CE2 4.42Å; F188-F279 AromaticContact CD2-CZ 3.84Å; F188-F279 HydrophobicContact CD2-CZ 3.84Å; F188-F279 HydrophobicContact CE2-CE1 4.15Å; F188-F279 AromaticContact CE2-CZ 3.96Å; F188-F279 HydrophobicContact CE2-CZ 3.96Å; F188-F279 HydrophobicContact CG-CE1 4.32Å
189	E	83.4	Confident	79.4	Confident	40 Å²	40	53.6 Å²	53.6	19%	0.187	31%	0.311	C	S	.	.	S	Bend	trans	-149.7	145.6	-175	-163.7	176.3	179.1	0	0	109.6	G280 R281 N282	E189-G280 VanDerWaalsContact CD-CA 3.47Å; E189-G280 WeakPolarHBondContact OE2-CA 3.49Å; E189-G280 PolarHBondContact OE2-N 3.26Å; E189-R281 WeakPolarHBondContact OE1-CA 3.38Å; E189-R281 WeakPolarHBondContact OE1-CB 3.43Å; E189-R281 PolarHBondContact OE1-N 2.85Å; E189-R281 PolarHBondContact OE2-N 3.06Å; E189-R281 VanDerWaalsContact OE2-N 3.13Å; E189-N282 PolarHBondContact OE1-N 3.46Å; E189-N282 PolarHBondContact OE1-ND2 2.88Å; E189-N282 PolarHBondContact OE2-N 2.94Å
190	K	81.6	Confident	79.5	Confident	168 Å²	168	53.1 Å²	53.1	73%	0.73	31%	0.308	S	S	*	.	S	Bend	trans	-137	143.5	173.5	-70.2	-175.9	179.6	179.5	0	109
191	P	84.6	Confident	80.5	Confident	21 Å²	21	48 Å²	48	14%	0.136	28%	0.284	C	S	.	.	S	Bend	cis	-65.8	151.5	-6.7	29.6	-35.8	0	0	0	112.1	Q195 V196 W337	P191-Q195 HydrophobicContact CB-CB 4.24Å; P191-V196 HydrophobicContact CB-CG2 3.95Å; P191-V196 HydrophobicContact CG-CG2 3.7Å; P191-W337 WeakPolarHBondContact CD-O 3.25Å; P191-W337 WeakPolarHBondContact CG-O 3.39Å
192	N	87.8	Confident	81.4	Confident	25 Å²	25	49.7 Å²	49.7	13%	0.134	28%	0.278	C	S	.	.			trans	-81.2	162.7	-178.9	67.9	27.7	0	0	0	111.9	E194 Q195 V196 Q277 F279	N192-E194 PolarHBondContact O-N 3.46Å; N192-E194 VanDerWaalsContact O-N 3.17Å; N192-E194 PolarHBondContact OD1-N 3.31Å; N192-Q195 PolarHBondContact O-N 3.45Å; N192-Q195 VanDerWaalsContact O-N 3.13Å; N192-Q195 WeakPolarHBondContact OD1-CB 3.4Å; N192-Q195 WeakPolarHBondContact OD1-CG 3.44Å; N192-Q195 PolarHBondContact OD1-N 2.94Å; N192-Q195 PolarHBondContact OD1-OE1 3.09Å; N192-V196 VanDerWaalsContact O-CG2 3.28Å; N192-V196 WeakPolarHBondContact O-CG2 3.48Å; N192-V196 PolarHBondContact O-N 3.06Å; N192-Q277 WeakPolarHBondContact CB-O 3.34Å; N192-Q277 PolarHBondContact ND2-O 3.2Å; N192-Q277 VanDerWaalsContact ND2-O 3.13Å; N192-F279 WeakPolarHBondContact CA-O 3.33Å
193	I	87.1	Confident	82.3	Confident	2 Å²	2	48 Å²	48	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-55.8	-35.2	-177.6	-67.1	159.5	0	0	0	111.9	I197 L224 L227 T276 F279 L284	I193-I197 HydrophobicContact CG2-CD1 3.68Å; I193-I197 WeakPolarHBondContact O-CB 3.49Å; I193-I197 WeakPolarHBondContact O-CD1 3.49Å; I193-I197 WeakPolarHBondContact O-CG1 3.38Å; I193-I197 PolarHBondContact O-N 2.64Å; I193-I197 VanDerWaalsContact O-N 3.08Å; I193-L224 HydrophobicContact CG2-CD2 4.19Å; I193-L227 HydrophobicContact CG2-CD1 3.94Å; I193-T276 HydrophobicContact CB-CG2 4.46Å; I193-T276 HydrophobicContact CG2-CG2 4.02Å; I193-T276 PolarHBondContact N-O 3.17Å; I193-F279 HydrophobicContact CD1-CB 4.1Å; I193-F279 WeakPolarHBondContact CG1-O 3.13Å; I193-F279 PolarHBondContact N-O 3.09Å; I193-L284 HydrophobicContact CD1-CB 4.28Å; I193-L284 HydrophobicContact CD1-CD1 4.38Å; I193-L284 HydrophobicContact CG1-CB 4.3Å; I193-L284 HydrophobicContact CG1-CD2 4.27Å; I193-L284 HydrophobicContact CG2-CD2 4.28Å
194	E	87	Confident	82.7	Confident	53 Å²	53	49.5 Å²	49.5	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-49.3	176	-179.5	166.3	-164.1	0	0	112.7	N192 I197 Q198 L224 T276 Q277	N192-E194 PolarHBondContact O-N 3.46Å; N192-E194 VanDerWaalsContact O-N 3.17Å; N192-E194 PolarHBondContact OD1-N 3.31Å; E194-I197 PolarHBondContact O-N 2.71Å; E194-Q198 WeakPolarHBondContact O-CG 3.38Å; E194-Q198 PolarHBondContact O-N 3.18Å; E194-L224 HydrophobicContact CB-CD2 4.24Å; E194-L224 HydrophobicContact CG-CD1 4.22Å; E194-T276 PolarHBondContact N-O 3.13Å; E194-Q277 VanDerWaalsContact OE2-CG 3.29Å; E194-Q277 WeakPolarHBondContact OE2-CG 3.3Å; E194-Q277 PolarHBondContact OE2-NE2 2.95Å
195	Q	84.6	Confident	83	Confident	88 Å²	88	48 Å²	48	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-59.3	-47	175.5	-74.5	166.8	-32.8	0	0	111.4	P191 N192 I197 Q198 S199	P191-Q195 HydrophobicContact CB-CB 4.24Å; N192-Q195 PolarHBondContact O-N 3.45Å; N192-Q195 VanDerWaalsContact O-N 3.13Å; N192-Q195 WeakPolarHBondContact OD1-CB 3.4Å; N192-Q195 WeakPolarHBondContact OD1-CG 3.44Å; N192-Q195 PolarHBondContact OD1-N 2.94Å; N192-Q195 PolarHBondContact OD1-OE1 3.09Å; Q195-I197 VanDerWaalsContact C-N 3.29Å; Q195-I197 PolarHBondContact O-N 3.14Å; Q195-Q198 CarbonylContact O-C 3.59Å; Q195-Q198 WeakPolarHBondContact O-CA 3.11Å; Q195-Q198 WeakPolarHBondContact O-CB 3.47Å; Q195-Q198 PolarHBondContact O-N 3.22Å; Q195-S199 PolarHBondContact O-N 3.01Å; Q195-S199 PolarHBondContact O-OG 2.87Å
196	V	84.2	Confident	82.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-37.8	-179	172.8	0	0	0	0	111.8	P191 N192 S199 L200 I336 W337	P191-V196 HydrophobicContact CB-CG2 3.95Å; P191-V196 HydrophobicContact CG-CG2 3.7Å; N192-V196 VanDerWaalsContact O-CG2 3.28Å; N192-V196 WeakPolarHBondContact O-CG2 3.48Å; N192-V196 PolarHBondContact O-N 3.06Å; V196-S199 PolarHBondContact O-N 3.42Å; V196-L200 WeakPolarHBondContact O-CB 3.43Å; V196-L200 PolarHBondContact O-N 3.48Å; V196-I336 HydrophobicContact CG1-CB 4.43Å; V196-I336 HydrophobicContact CG1-CD1 3.59Å; V196-I336 HydrophobicContact CG1-CG1 3.82Å; V196-W337 HydrophobicContact CB-CE3 4.21Å; V196-W337 HydrophobicContact CB-CH2 4.34Å; V196-W337 HydrophobicContact CB-CZ3 4.03Å; V196-W337 HydrophobicContact CG1-CD2 3.93Å; V196-W337 HydrophobicContact CG1-CE3 3.85Å; V196-W337 HydrophobicContact CG1-CH2 3.67Å; V196-W337 HydrophobicContact CG1-CZ2 3.73Å; V196-W337 HydrophobicContact CG1-CZ3 3.73Å; V196-W337 HydrophobicContact CG2-CD2 4.13Å; V196-W337 HydrophobicContact CG2-CE3 3.4Å; V196-W337 HydrophobicContact CG2-CH2 4.29Å; V196-W337 HydrophobicContact CG2-CZ3 3.5Å; V196-W337 VanDerWaalsContact CG2-CZ3 3.5Å
197	I	84.3	Confident	82.8	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-71.2	-32	175.4	-76.1	165.1	0	0	0	111.6	I193 E194 Q195 L201 F223 L224 L325	I193-I197 HydrophobicContact CG2-CD1 3.68Å; I193-I197 WeakPolarHBondContact O-CB 3.49Å; I193-I197 WeakPolarHBondContact O-CD1 3.49Å; I193-I197 WeakPolarHBondContact O-CG1 3.38Å; I193-I197 PolarHBondContact O-N 2.64Å; I193-I197 VanDerWaalsContact O-N 3.08Å; E194-I197 PolarHBondContact O-N 2.71Å; Q195-I197 VanDerWaalsContact C-N 3.29Å; Q195-I197 PolarHBondContact O-N 3.14Å; I197-L201 HydrophobicContact CG2-CD1 4.35Å; I197-L201 WeakPolarHBondContact O-CD1 3.45Å; I197-L201 VanDerWaalsContact O-CG 3.23Å; I197-L201 WeakPolarHBondContact O-CG 3.39Å; I197-L201 PolarHBondContact O-N 2.7Å; I197-L201 VanDerWaalsContact O-N 3.12Å; I197-F223 HydrophobicContact CD1-CD1 3.68Å; I197-F223 HydrophobicContact CD1-CE1 3.77Å; I197-L224 HydrophobicContact CB-CD2 4.49Å; I197-L224 HydrophobicContact CD1-CD2 3.55Å; I197-L224 HydrophobicContact CD1-CG 4.14Å; I197-L224 HydrophobicContact CG2-CD1 4.28Å; I197-L224 HydrophobicContact CG2-CG 4.43Å; I197-L325 HydrophobicContact CG1-CD1 4.45Å
198	Q	84.3	Confident	82.7	Confident	88 Å²	88	50.6 Å²	50.6	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-67.2	-44.4	170.5	-67.2	174.2	21.2	0	0	111.3	E194 Q195 L200 L201 Q202	E194-Q198 WeakPolarHBondContact O-CG 3.38Å; E194-Q198 PolarHBondContact O-N 3.18Å; Q195-Q198 CarbonylContact O-C 3.59Å; Q195-Q198 WeakPolarHBondContact O-CA 3.11Å; Q195-Q198 WeakPolarHBondContact O-CB 3.47Å; Q195-Q198 PolarHBondContact O-N 3.22Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.05Å; Q198-L201 WeakPolarHBondContact O-CB 3.38Å; Q198-L201 PolarHBondContact O-N 3.02Å; Q198-Q202 WeakPolarHBondContact O-CG 3.34Å; Q198-Q202 PolarHBondContact O-N 2.7Å; Q198-Q202 VanDerWaalsContact O-N 3.09Å
199	S	83.3	Confident	82.7	Confident	20 Å²	20	50.9 Å²	50.9	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-40.1	173.4	-58.6	0	0	0	0	112.1	Q195 V196 L201 Q202 Y203	Q195-S199 PolarHBondContact O-N 3.01Å; Q195-S199 PolarHBondContact O-OG 2.87Å; V196-S199 PolarHBondContact O-N 3.42Å; S199-L201 PolarHBondContact O-N 3.44Å; S199-Q202 PolarHBondContact O-N 3.11Å; S199-Y203 VanDerWaalsContact O-CB 3.29Å; S199-Y203 WeakPolarHBondContact O-CB 3.26Å; S199-Y203 PolarHBondContact O-N 3.37Å
200	L	82.2	Confident	82.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-41.8	173.9	-180	67.5	0	0	0	112.5	V196 Q198 Q202 Y203 K204 F205 F321 L325 E328 I336	V196-L200 WeakPolarHBondContact O-CB 3.43Å; V196-L200 PolarHBondContact O-N 3.48Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.05Å; L200-Q202 VanDerWaalsContact C-N 3.33Å; L200-Y203 PolarHBondContact O-N 3.01Å; L200-K204 HydrophobicContact CD1-CB 4.43Å; L200-K204 HydrophobicContact CD1-CG 3.7Å; L200-K204 PolarHBondContact O-N 3.36Å; L200-F205 HydrophobicContact CG-CE2 4.36Å; L200-F321 HydrophobicContact CD2-CE2 4.46Å; L200-L325 HydrophobicContact CD2-CB 3.89Å; L200-L325 HydrophobicContact CD2-CD1 3.71Å; L200-L325 HydrophobicContact CD2-CG 4.3Å; L200-E328 HydrophobicContact CD1-CB 4.44Å; L200-E328 HydrophobicContact CD1-CG 3.86Å; L200-I336 HydrophobicContact CB-CD1 4.09Å; L200-I336 HydrophobicContact CD1-CD1 4.19Å
201	L	82.2	Confident	82.6	Confident	21 Å²	21	54.6 Å²	54.6	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-41.8	177.7	-70.2	160.8	0	0	0	111.3	I197 Q198 S199 F205 M216 F217 S220 F321	I197-L201 HydrophobicContact CG2-CD1 4.35Å; I197-L201 WeakPolarHBondContact O-CD1 3.45Å; I197-L201 VanDerWaalsContact O-CG 3.23Å; I197-L201 WeakPolarHBondContact O-CG 3.39Å; I197-L201 PolarHBondContact O-N 2.7Å; I197-L201 VanDerWaalsContact O-N 3.12Å; Q198-L201 WeakPolarHBondContact O-CB 3.38Å; Q198-L201 PolarHBondContact O-N 3.02Å; S199-L201 PolarHBondContact O-N 3.44Å; L201-F205 HydrophobicContact CD2-CD2 4.23Å; L201-F205 WeakPolarHBondContact O-CA 3.38Å; L201-F205 WeakPolarHBondContact O-CB 3.19Å; L201-F205 PolarHBondContact O-N 3.32Å; L201-F205 VanDerWaalsContact O-N 3.17Å; L201-M216 HydrophobicContact CD2-CB 3.95Å; L201-F217 HydrophobicContact CD1-CD2 4.03Å; L201-S220 WeakPolarHBondContact CD1-OG 3.44Å; L201-F321 HydrophobicContact CD2-CE2 4.39Å
202	Q	79.2	Confident	82.4	Confident	92 Å²	92	58 Å²	58	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-67.7	-45.7	174.8	-65.9	176.7	9.1	0	0	111.5	Q198 S199 L200 S206 F341 M343	Q198-Q202 WeakPolarHBondContact O-CG 3.34Å; Q198-Q202 PolarHBondContact O-N 2.7Å; Q198-Q202 VanDerWaalsContact O-N 3.09Å; S199-Q202 PolarHBondContact O-N 3.11Å; L200-Q202 VanDerWaalsContact C-N 3.33Å; Q202-S206 WeakPolarHBondContact CA-OG 3.48Å; Q202-S206 VanDerWaalsContact O-CB 3.27Å; Q202-S206 WeakPolarHBondContact O-CB 3.22Å; Q202-S206 PolarHBondContact O-OG 3.33Å; Q202-F341 HydrophobicContact CB-CE1 4.23Å; Q202-M343 HydrophobicContact CB-SD 4.34Å
203	Y	79.4	Confident	82.1	Confident	91 Å²	91	62.1 Å²	62.1	36%	0.357	31%	0.305	S	S	.	.	H	α-helix	trans	-66	-51.6	-176.3	-173.3	-131.9	0	0	0	113.4	S199 L200 P335 I336 F341 M343	S199-Y203 VanDerWaalsContact O-CB 3.29Å; S199-Y203 WeakPolarHBondContact O-CB 3.26Å; S199-Y203 PolarHBondContact O-N 3.37Å; L200-Y203 PolarHBondContact O-N 3.01Å; Y203-P335 HydrophobicContact CD1-CG 4.44Å; Y203-P335 HydrophobicContact CE1-CG 4Å; Y203-P335 HydrophobicContact CE2-CG 4.25Å; Y203-I336 HydrophobicContact CD1-CG2 3.98Å; Y203-I336 HydrophobicContact CG-CG2 4.32Å; Y203-F341 HydrophobicContact CD2-CE2 4.27Å; Y203-F341 HydrophobicContact CD2-CZ 4.08Å; Y203-F341 HydrophobicContact CG-CE2 4.47Å; Y203-F341 HydrophobicContact CG-CZ 4.2Å; Y203-M343 HydrophobicContact CD2-CE 4.36Å
204	K	77.7	Confident	82	Confident	60 Å²	60	66.4 Å²	66.4	26%	0.261	33%	0.325	S	S	.	.	H	α-helix	trans	-96.3	-17.6	-171.2	-63.3	-68.5	-172.3	178.1	0	114.7	L200 H207 E328	L200-K204 HydrophobicContact CD1-CB 4.43Å; L200-K204 HydrophobicContact CD1-CG 3.7Å; L200-K204 PolarHBondContact O-N 3.36Å; K204-H207 PolarHBondContact O-CE1 3.47Å; K204-H207 PolarHBondContact O-ND1 3.28Å; K204-E328 WeakPolarHBondContact CE-OE1 3.38Å; K204-E328 IonicContact NZ-OE1 2.72Å; K204-E328 PolarHBondContact NZ-OE1 3.13Å
205	F	80.8	Confident	81.9	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-125.8	2.1	-168.5	-51.9	-89.6	0	0	0	115	L200 L201 H207 L208 M216 F321 M324	L200-F205 HydrophobicContact CG-CE2 4.36Å; L201-F205 HydrophobicContact CD2-CD2 4.23Å; L201-F205 WeakPolarHBondContact O-CA 3.38Å; L201-F205 WeakPolarHBondContact O-CB 3.19Å; L201-F205 PolarHBondContact O-N 3.32Å; L201-F205 VanDerWaalsContact O-N 3.17Å; F205-H207 VanDerWaalsContact C-N 3.27Å; F205-H207 PolarHBondContact O-N 2.78Å; F205-L208 HydrophobicContact CB-CD1 4.33Å; F205-L208 HydrophobicContact CD1-CD1 3.73Å; F205-L208 PolarHBondContact O-N 3.12Å; F205-M216 HydrophobicContact CD1-CB 4.23Å; F205-M216 HydrophobicContact CD1-CE 4.2Å; F205-M216 HydrophobicContact CD1-CG 3.61Å; F205-M216 HydrophobicContact CD1-SD 4.14Å; F205-M216 HydrophobicContact CE1-CE 3.79Å; F205-M216 HydrophobicContact CE1-CG 3.83Å; F205-M216 HydrophobicContact CE1-SD 3.72Å; F205-M216 HydrophobicContact CG-CB 4.36Å; F205-M216 HydrophobicContact CG-CG 4.22Å; F205-M216 HydrophobicContact CZ-SD 4.3Å; F205-F321 HydrophobicContact CE2-CD2 4.41Å; F205-F321 HydrophobicContact CZ-CD2 4.12Å; F205-M324 HydrophobicContact CE1-CE 3.69Å; F205-M324 HydrophobicContact CE1-SD 4.2Å; F205-M324 HydrophobicContact CZ-CE 3.62Å; F205-M324 HydrophobicContact CZ-SD 3.99Å
206	S	76.1	Confident	81.8	Confident	49 Å²	49	61.5 Å²	61.5	34%	0.343	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.8	175.7	-70.5	0	0	0	0	113.9	Q202 L208 R213	Q202-S206 WeakPolarHBondContact CA-OG 3.48Å; Q202-S206 VanDerWaalsContact O-CB 3.27Å; Q202-S206 WeakPolarHBondContact O-CB 3.22Å; Q202-S206 PolarHBondContact O-OG 3.33Å; S206-L208 VanDerWaalsContact C-N 3.3Å; S206-L208 PolarHBondContact O-N 3.44Å; S206-R213 VanDerWaalsContact O-CZ 3.32Å; S206-R213 PolarHBondContact O-NH2 3.1Å
207	H	80.4	Confident	81.9	Confident	152 Å²	152	65.2 Å²	65.2	70%	0.704	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.3	178.7	67.1	-95.7	0	0	0	114	K204 F205	K204-H207 PolarHBondContact O-CE1 3.47Å; K204-H207 PolarHBondContact O-ND1 3.28Å; F205-H207 VanDerWaalsContact C-N 3.27Å; F205-H207 PolarHBondContact O-N 2.78Å
208	L	81.6	Confident	82	Confident	40 Å²	40	69.6 Å²	69.6	21%	0.209	34%	0.341	C	S	.	.	S	Bend	trans	-79	158.8	-179.6	-63.8	-172.4	0	0	0	112.9	F205 S206 E212 R213	F205-L208 HydrophobicContact CB-CD1 4.33Å; F205-L208 HydrophobicContact CD1-CD1 3.73Å; F205-L208 PolarHBondContact O-N 3.12Å; S206-L208 VanDerWaalsContact C-N 3.3Å; S206-L208 PolarHBondContact O-N 3.44Å; L208-E212 HydrophobicContact CB-CB 4.23Å; L208-E212 HydrophobicContact CD1-CB 4.3Å; L208-R213 PolarHBondContact O-NH2 2.64Å
209	A	84.9	Confident	82	Confident	51 Å²	51	65.5 Å²	65.5	42%	0.421	32%	0.322	S	S	.	.			trans	-59.7	148.4	176.6	0	0	0	0	0	111.7	K211 E212 R213	A209-K211 VanDerWaalsContact C-N 3.27Å; A209-K211 PolarHBondContact O-N 3.49Å; A209-K211 VanDerWaalsContact O-N 3.09Å; A209-E212 HydrophobicContact CB-CG 4.49Å; A209-E212 PolarHBondContact O-N 2.72Å; A209-R213 PolarHBondContact O-N 3.33Å
210	P	83.8	Confident	82.2	Confident	101 Å²	101	64.7 Å²	64.7	66%	0.656	32%	0.316	S	S	*	.	H	α-helix	trans	-54.3	-36.9	-173.5	-29.4	35.7	0	0	0	115.1	Q214	P210-Q214 WeakPolarHBondContact O-CB 3.48Å; P210-Q214 PolarHBondContact O-N 3.26Å
211	K	80.1	Confident	82.5	Confident	184 Å²	184	69.8 Å²	69.8	80%	0.8	34%	0.338	S	S	*	.	H	α-helix	trans	-67.1	-36.9	177.4	-67.3	-176.2	177	-179.8	0	113.1	A209 T215	A209-K211 VanDerWaalsContact C-N 3.27Å; A209-K211 PolarHBondContact O-N 3.49Å; A209-K211 VanDerWaalsContact O-N 3.09Å; K211-T215 WeakPolarHBondContact O-CB 3.3Å; K211-T215 PolarHBondContact O-N 3.15Å; K211-T215 VanDerWaalsContact O-N 3.07Å; K211-T215 PolarHBondContact O-OG1 3.48Å
212	E	80.1	Confident	82.8	Confident	92 Å²	92	70.8 Å²	70.8	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-77.2	-37	178.1	-62.1	179.6	144.3	0	0	111.1	L208 A209 T215 M216	L208-E212 HydrophobicContact CB-CB 4.23Å; L208-E212 HydrophobicContact CD1-CB 4.3Å; A209-E212 HydrophobicContact CB-CG 4.49Å; A209-E212 PolarHBondContact O-N 2.72Å; E212-T215 VanDerWaalsContact O-CB 3.28Å; E212-T215 WeakPolarHBondContact O-CB 3.4Å; E212-T215 PolarHBondContact O-N 2.91Å; E212-M216 WeakPolarHBondContact O-CG 3.36Å; E212-M216 PolarHBondContact O-N 3.41Å
213	R	82	Confident	83.2	Confident	112 Å²	112	66.4 Å²	66.4	42%	0.423	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-45.7	172.8	-161.9	-175.8	-52.2	163.7	8.3	111.6	S206 L208 A209 T215 M216 F217	S206-R213 VanDerWaalsContact O-CZ 3.32Å; S206-R213 PolarHBondContact O-NH2 3.1Å; L208-R213 PolarHBondContact O-NH2 2.64Å; A209-R213 PolarHBondContact O-N 3.33Å; R213-T215 VanDerWaalsContact C-N 3.33Å; R213-T215 PolarHBondContact O-N 3.5Å; R213-M216 PolarHBondContact O-N 3.05Å; R213-F217 WeakPolarHBondContact O-CB 3.45Å; R213-F217 PolarHBondContact O-N 2.61Å
214	Q	84.4	Confident	83.7	Confident	93 Å²	93	62.8 Å²	62.8	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-42.3	173.1	-179.2	60.9	25.5	0	0	111.7	P210 M216 F217 E218	P210-Q214 WeakPolarHBondContact O-CB 3.48Å; P210-Q214 PolarHBondContact O-N 3.26Å; Q214-M216 PolarHBondContact O-N 3.18Å; Q214-F217 PolarHBondContact O-N 2.98Å; Q214-E218 PolarHBondContact NE2-OE1 3.31Å; Q214-E218 PolarHBondContact O-N 2.97Å
215	T	83.6	Confident	84.1	Confident	27 Å²	27	64.7 Å²	64.7	17%	0.166	32%	0.321	C	S	.	.	H	α-helix	trans	-57.2	-46.6	173.9	-71.4	0	0	0	0	112.2	K211 E212 R213 F217 E218 L219 L313	K211-T215 WeakPolarHBondContact O-CB 3.3Å; K211-T215 PolarHBondContact O-N 3.15Å; K211-T215 VanDerWaalsContact O-N 3.07Å; K211-T215 PolarHBondContact O-OG1 3.48Å; E212-T215 VanDerWaalsContact O-CB 3.28Å; E212-T215 WeakPolarHBondContact O-CB 3.4Å; E212-T215 PolarHBondContact O-N 2.91Å; R213-T215 VanDerWaalsContact C-N 3.33Å; R213-T215 PolarHBondContact O-N 3.5Å; T215-F217 VanDerWaalsContact C-N 3.35Å; T215-E218 PolarHBondContact O-N 3.14Å; T215-L219 HydrophobicContact CG2-CD1 4.29Å; T215-L219 WeakPolarHBondContact O-CG 3.22Å; T215-L219 PolarHBondContact O-N 3.41Å; T215-L313 HydrophobicContact CG2-CD1 3.5Å; T215-L313 VanDerWaalsContact CG2-CD1 3.5Å; T215-L313 HydrophobicContact CG2-CD2 3.98Å; T215-L313 HydrophobicContact CG2-CG 3.65Å
216	M	82.9	Confident	84.5	Confident	11 Å²	11	65.8 Å²	65.8	5%	0.054	33%	0.329	C	S	.	.	H	α-helix	trans	-67.5	-34.9	178	-66.4	-64.5	-179.7	0	0	112.3	L201 F205 E212 R213 Q214 L219 S220 H317 F321	L201-M216 HydrophobicContact CD2-CB 3.95Å; F205-M216 HydrophobicContact CD1-CB 4.23Å; F205-M216 HydrophobicContact CD1-CE 4.2Å; F205-M216 HydrophobicContact CD1-CG 3.61Å; F205-M216 HydrophobicContact CD1-SD 4.14Å; F205-M216 HydrophobicContact CE1-CE 3.79Å; F205-M216 HydrophobicContact CE1-CG 3.83Å; F205-M216 HydrophobicContact CE1-SD 3.72Å; F205-M216 HydrophobicContact CG-CB 4.36Å; F205-M216 HydrophobicContact CG-CG 4.22Å; F205-M216 HydrophobicContact CZ-SD 4.3Å; E212-M216 WeakPolarHBondContact O-CG 3.36Å; E212-M216 PolarHBondContact O-N 3.41Å; R213-M216 PolarHBondContact O-N 3.05Å; Q214-M216 PolarHBondContact O-N 3.18Å; M216-L219 PolarHBondContact O-N 3.17Å; M216-L219 HydrophobicContact SD-CD1 4.33Å; M216-S220 WeakPolarHBondContact O-CB 3.39Å; M216-S220 PolarHBondContact O-N 2.93Å; M216-S220 PolarHBondContact O-OG 2.97Å; M216-H317 HydrophobicContact CE-CB 4.13Å; M216-F321 HydrophobicContact SD-CB 4.49Å; M216-F321 HydrophobicContact SD-CD2 4.4Å
217	F	86.5	Confident	85	Confident	78 Å²	78	63.5 Å²	63.5	34%	0.342	31%	0.313	S	S	.	.	H	α-helix	trans	-68	-33.7	174.3	-177.4	-104.9	0	0	0	113.2	L201 R213 Q214 T215 S220 K221	L201-F217 HydrophobicContact CD1-CD2 4.03Å; R213-F217 WeakPolarHBondContact O-CB 3.45Å; R213-F217 PolarHBondContact O-N 2.61Å; Q214-F217 PolarHBondContact O-N 2.98Å; T215-F217 VanDerWaalsContact C-N 3.35Å; F217-S220 WeakPolarHBondContact CA-OG 3.39Å; F217-S220 PolarHBondContact O-OG 3.26Å; F217-K221 HydrophobicContact CD1-CD 4.43Å; F217-K221 HydrophobicContact CE1-CD 3.99Å; F217-K221 VanDerWaalsContact CE1-CE 3.48Å; F217-K221 HydrophobicContact CZ-CD 4.24Å; F217-K221 WeakPolarHBondContact O-CG 3.5Å; F217-K221 PolarHBondContact O-N 2.99Å; F217-K221 VanDerWaalsContact O-N 3.14Å
218	E	85.9	Confident	85.4	Confident	93 Å²	93	56.6 Å²	56.6	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-71.4	-39.2	171.8	-74.1	179.3	-152.1	0	0	112	Q214 T215 M222	Q214-E218 PolarHBondContact NE2-OE1 3.31Å; Q214-E218 PolarHBondContact O-N 2.97Å; T215-E218 PolarHBondContact O-N 3.14Å; E218-M222 WeakPolarHBondContact O-CB 3.33Å; E218-M222 PolarHBondContact O-N 2.96Å
219	L	85.9	Confident	85.6	Confident	3 Å²	3	61 Å²	61	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-36.7	175.1	-73	175.8	0	0	0	112.9	T215 M216 M222 F223 L313 I314 H317 F318	T215-L219 HydrophobicContact CG2-CD1 4.29Å; T215-L219 WeakPolarHBondContact O-CG 3.22Å; T215-L219 PolarHBondContact O-N 3.41Å; M216-L219 PolarHBondContact O-N 3.17Å; M216-L219 HydrophobicContact SD-CD1 4.33Å; L219-M222 HydrophobicContact CD2-CE 3.77Å; L219-M222 WeakPolarHBondContact O-CB 3.37Å; L219-M222 PolarHBondContact O-N 3.1Å; L219-F223 PolarHBondContact O-N 3.45Å; L219-L313 HydrophobicContact CD1-CD2 4.15Å; L219-L313 HydrophobicContact CD2-CD2 3.82Å; L219-L313 HydrophobicContact CG-CD2 3.93Å; L219-I314 HydrophobicContact CD2-CG1 3.94Å; L219-H317 HydrophobicContact CD1-CB 3.68Å; L219-F318 HydrophobicContact CB-CD2 4.28Å; L219-F318 HydrophobicContact CD1-CB 4.49Å; L219-F318 HydrophobicContact CD2-CB 4.15Å; L219-F318 HydrophobicContact CD2-CD2 3.89Å; L219-F318 HydrophobicContact CD2-CG 4.32Å
220	S	87.4	Confident	85.7	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-69.6	-43	176.3	69.1	0	0	0	0	111.8	L201 M216 F217 M222 F223 L224	L201-S220 WeakPolarHBondContact CD1-OG 3.44Å; M216-S220 WeakPolarHBondContact O-CB 3.39Å; M216-S220 PolarHBondContact O-N 2.93Å; M216-S220 PolarHBondContact O-OG 2.97Å; F217-S220 WeakPolarHBondContact CA-OG 3.39Å; F217-S220 PolarHBondContact O-OG 3.26Å; S220-M222 VanDerWaalsContact C-N 3.33Å; S220-M222 PolarHBondContact O-N 3.46Å; S220-F223 WeakPolarHBondContact O-CB 3.36Å; S220-F223 PolarHBondContact O-N 3.43Å; S220-F223 VanDerWaalsContact O-N 3.14Å; S220-L224 WeakPolarHBondContact O-CG 3.42Å; S220-L224 PolarHBondContact O-N 3.43Å
221	K	88.8	Confident	86	Confident	108 Å²	108	60.5 Å²	60.5	47%	0.47	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-42.4	170.1	-78.9	-173.8	170.6	-177.3	0	112	F217 F223 L224 I225	F217-K221 HydrophobicContact CD1-CD 4.43Å; F217-K221 HydrophobicContact CE1-CD 3.99Å; F217-K221 VanDerWaalsContact CE1-CE 3.48Å; F217-K221 HydrophobicContact CZ-CD 4.24Å; F217-K221 WeakPolarHBondContact O-CG 3.5Å; F217-K221 PolarHBondContact O-N 2.99Å; F217-K221 VanDerWaalsContact O-N 3.14Å; K221-F223 VanDerWaalsContact C-N 3.31Å; K221-F223 PolarHBondContact O-N 3.27Å; K221-L224 PolarHBondContact O-N 3.16Å; K221-I225 WeakPolarHBondContact O-CB 3.34Å; K221-I225 WeakPolarHBondContact O-CD1 3.45Å; K221-I225 VanDerWaalsContact O-CG1 3.26Å; K221-I225 WeakPolarHBondContact O-CG1 3.29Å; K221-I225 PolarHBondContact O-N 2.91Å
222	M	86.5	Confident	86.5	Confident	42 Å²	42	52.1 Å²	52.1	21%	0.207	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-41.1	174.2	-174.3	-172.5	72.2	0	0	111.7	E218 L219 S220 C226 F299 I314 F318	E218-M222 WeakPolarHBondContact O-CB 3.33Å; E218-M222 PolarHBondContact O-N 2.96Å; L219-M222 HydrophobicContact CD2-CE 3.77Å; L219-M222 WeakPolarHBondContact O-CB 3.37Å; L219-M222 PolarHBondContact O-N 3.1Å; S220-M222 VanDerWaalsContact C-N 3.33Å; S220-M222 PolarHBondContact O-N 3.46Å; M222-C226 WeakPolarHBondContact O-CB 3.46Å; M222-C226 PolarHBondContact O-N 3.17Å; M222-C226 PolarHBondContact O-SG 3.33Å; M222-F299 HydrophobicContact CE-CE1 4.16Å; M222-F299 HydrophobicContact CE-CE2 3.92Å; M222-F299 HydrophobicContact CE-CZ 3.48Å; M222-F299 VanDerWaalsContact CE-CZ 3.48Å; M222-F299 HydrophobicContact CG-CZ 4.32Å; M222-F299 HydrophobicContact SD-CE1 3.89Å; M222-F299 HydrophobicContact SD-CZ 3.57Å; M222-F299 VanDerWaalsContact SD-CZ 3.57Å; M222-I314 HydrophobicContact CE-CD1 4.36Å; M222-I314 HydrophobicContact CE-CG1 4.17Å; M222-I314 HydrophobicContact SD-CD1 3.8Å; M222-I314 HydrophobicContact SD-CG1 4.18Å; M222-F318 HydrophobicContact CE-CD1 4.14Å; M222-F318 HydrophobicContact CE-CD2 3.65Å; M222-F318 HydrophobicContact CE-CE1 3.94Å; M222-F318 HydrophobicContact CE-CE2 3.42Å; M222-F318 VanDerWaalsContact CE-CE2 3.42Å; M222-F318 HydrophobicContact CE-CG 4Å; M222-F318 HydrophobicContact CE-CZ 3.57Å
223	F	89	Confident	86.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-44	176.4	179.4	-103.8	0	0	0	112.8	I197 L219 S220 K221 C226 L227 F288 L295 F318 F321 L322 L325	I197-F223 HydrophobicContact CD1-CD1 3.68Å; I197-F223 HydrophobicContact CD1-CE1 3.77Å; L219-F223 PolarHBondContact O-N 3.45Å; S220-F223 WeakPolarHBondContact O-CB 3.36Å; S220-F223 PolarHBondContact O-N 3.43Å; S220-F223 VanDerWaalsContact O-N 3.14Å; K221-F223 VanDerWaalsContact C-N 3.31Å; K221-F223 PolarHBondContact O-N 3.27Å; F223-C226 WeakPolarHBondContact O-CB 3.17Å; F223-C226 PolarHBondContact O-N 2.83Å; F223-L227 HydrophobicContact CD1-CD1 4.04Å; F223-L227 HydrophobicContact CE1-CD1 3.35Å; F223-L227 HydrophobicContact CE1-CG 4.06Å; F223-L227 HydrophobicContact CE2-CG 4.4Å; F223-L227 HydrophobicContact CZ-CD1 3.63Å; F223-L227 HydrophobicContact CZ-CD2 4.34Å; F223-L227 HydrophobicContact CZ-CG 3.95Å; F223-L227 PolarHBondContact O-N 2.63Å; F223-F288 HydrophobicContact CE1-CE2 4.44Å; F223-F288 HydrophobicContact CE2-CE2 4.06Å; F223-F288 AromaticContact CZ-CD2 3.86Å; F223-F288 HydrophobicContact CZ-CD2 3.86Å; F223-F288 AromaticContact CZ-CE2 3.6Å; F223-F288 HydrophobicContact CZ-CE2 3.6Å; F223-L295 HydrophobicContact CD2-CD1 3.86Å; F223-L295 HydrophobicContact CE2-CD1 3.88Å; F223-F318 HydrophobicContact CB-CE2 4.2Å; F223-F318 HydrophobicContact CD2-CZ 4.3Å; F223-F321 HydrophobicContact CB-CE1 4.17Å; F223-F321 HydrophobicContact CG-CE1 4.32Å; F223-L322 HydrophobicContact CD2-CD2 3.67Å; F223-L322 HydrophobicContact CE2-CD2 3.68Å; F223-L322 HydrophobicContact CG-CD2 4.47Å; F223-L322 HydrophobicContact CZ-CD2 4.49Å; F223-L325 HydrophobicContact CD1-CD2 4.02Å; F223-L325 HydrophobicContact CE1-CD2 3.58Å; F223-L325 HydrophobicContact CZ-CD2 3.94Å
224	L	88.9	Confident	87.2	Confident	14 Å²	14	44.6 Å²	44.6	7%	0.073	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-48.2	174.7	-70.8	168.3	0	0	0	111.6	I193 E194 I197 S220 K221 C226 L227 N228 T276	I193-L224 HydrophobicContact CG2-CD2 4.19Å; E194-L224 HydrophobicContact CB-CD2 4.24Å; E194-L224 HydrophobicContact CG-CD1 4.22Å; I197-L224 HydrophobicContact CB-CD2 4.49Å; I197-L224 HydrophobicContact CD1-CD2 3.55Å; I197-L224 HydrophobicContact CD1-CG 4.14Å; I197-L224 HydrophobicContact CG2-CD1 4.28Å; I197-L224 HydrophobicContact CG2-CG 4.43Å; S220-L224 WeakPolarHBondContact O-CG 3.42Å; S220-L224 PolarHBondContact O-N 3.43Å; K221-L224 PolarHBondContact O-N 3.16Å; L224-C226 VanDerWaalsContact C-N 3.3Å; L224-C226 PolarHBondContact O-N 3.39Å; L224-L227 PolarHBondContact O-N 2.78Å; L224-N228 PolarHBondContact O-N 3.41Å; L224-T276 HydrophobicContact CB-CG2 4.33Å; L224-T276 HydrophobicContact CD2-CG2 3.52Å
225	I	87.6	Confident	87.3	Confident	101 Å²	101	40.4 Å²	40.4	52%	0.518	19%	0.188	S	C	.	.	H	α-helix	trans	-58.7	-43.4	174.7	-68.1	164.8	0	0	0	110.4	K221 L227 N228 Y229	K221-I225 WeakPolarHBondContact O-CB 3.34Å; K221-I225 WeakPolarHBondContact O-CD1 3.45Å; K221-I225 VanDerWaalsContact O-CG1 3.26Å; K221-I225 WeakPolarHBondContact O-CG1 3.29Å; K221-I225 PolarHBondContact O-N 2.91Å; I225-L227 PolarHBondContact O-N 3.47Å; I225-N228 PolarHBondContact O-N 2.91Å; I225-Y229 HydrophobicContact CG2-CD2 4.15Å; I225-Y229 HydrophobicContact CG2-CE2 4.33Å; I225-Y229 WeakPolarHBondContact O-CD2 3.16Å; I225-Y229 PolarHBondContact O-N 2.98Å
226	C	87.4	Confident	87.4	Confident	28 Å²	28	41.9 Å²	41.9	19%	0.189	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-44	176.9	-74	0	0	0	0	112.4	M222 F223 L224 Y229 W230 L295	M222-C226 WeakPolarHBondContact O-CB 3.46Å; M222-C226 PolarHBondContact O-N 3.17Å; M222-C226 PolarHBondContact O-SG 3.33Å; F223-C226 WeakPolarHBondContact O-CB 3.17Å; F223-C226 PolarHBondContact O-N 2.83Å; L224-C226 VanDerWaalsContact C-N 3.3Å; L224-C226 PolarHBondContact O-N 3.39Å; C226-Y229 PolarHBondContact O-N 2.93Å; C226-W230 WeakPolarHBondContact O-CB 3.37Å; C226-W230 PolarHBondContact O-N 3.39Å; C226-L295 HydrophobicContact CB-CD1 4.26Å; C226-L295 HydrophobicContact CB-CD2 3.71Å
227	L	87.8	Confident	87.5	Confident	2 Å²	2	46 Å²	46	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-40.8	176.7	-80.4	176.2	0	0	0	112.7	I193 F223 L224 I225 Y229 W230 T276 L284 I287 T291	I193-L227 HydrophobicContact CG2-CD1 3.94Å; F223-L227 HydrophobicContact CD1-CD1 4.04Å; F223-L227 HydrophobicContact CE1-CD1 3.35Å; F223-L227 HydrophobicContact CE1-CG 4.06Å; F223-L227 HydrophobicContact CE2-CG 4.4Å; F223-L227 HydrophobicContact CZ-CD1 3.63Å; F223-L227 HydrophobicContact CZ-CD2 4.34Å; F223-L227 HydrophobicContact CZ-CG 3.95Å; F223-L227 PolarHBondContact O-N 2.63Å; L224-L227 PolarHBondContact O-N 2.78Å; I225-L227 PolarHBondContact O-N 3.47Å; L227-Y229 VanDerWaalsContact C-N 3.28Å; L227-Y229 PolarHBondContact O-N 3.08Å; L227-W230 PolarHBondContact O-N 3.02Å; L227-T276 HydrophobicContact CB-CG2 3.86Å; L227-T276 HydrophobicContact CD1-CG2 4.12Å; L227-L284 HydrophobicContact CD1-CD1 4.04Å; L227-L284 HydrophobicContact CD2-CD1 4.49Å; L227-I287 HydrophobicContact CD2-CD1 4.13Å; L227-T291 HydrophobicContact CD2-CG2 3.92Å
228	N	88.5	Confident	87.4	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-31.4	-179.2	-75.4	-23.2	0	0	0	113	L224 I225 Q265 E274 T275 T276	L224-N228 PolarHBondContact O-N 3.41Å; I225-N228 PolarHBondContact O-N 2.91Å; N228-Q265 PolarHBondContact O-NE2 2.85Å; N228-E274 PolarHBondContact ND2-OE2 3.06Å; N228-T275 WeakPolarHBondContact OD1-CB 3.49Å; N228-T275 PolarHBondContact OD1-N 2.81Å; N228-T276 PolarHBondContact ND2-OG1 3.39Å; N228-T276 WeakPolarHBondContact OD1-CG2 3.15Å; N228-T276 PolarHBondContact OD1-N 3.23Å; N228-T276 PolarHBondContact OD1-OG1 2.97Å
229	Y	85.8	Confident	87.3	Confident	132 Å²	132	46.1 Å²	46.1	52%	0.518	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	9.5	175.6	-63.9	-77.9	0	0	0	114.1	I225 C226 L227	I225-Y229 HydrophobicContact CG2-CD2 4.15Å; I225-Y229 HydrophobicContact CG2-CE2 4.33Å; I225-Y229 WeakPolarHBondContact O-CD2 3.16Å; I225-Y229 PolarHBondContact O-N 2.98Å; C226-Y229 PolarHBondContact O-N 2.93Å; L227-Y229 VanDerWaalsContact C-N 3.28Å; L227-Y229 PolarHBondContact O-N 3.08Å
230	W	87.8	Confident	87.1	Confident	40 Å²	40	53.7 Å²	53.7	15%	0.152	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-78.3	133	180	-154.3	-96.7	0	0	0	111.4	C226 L227 L232 W257 T291 Q294 L295 K298	C226-W230 WeakPolarHBondContact O-CB 3.37Å; C226-W230 PolarHBondContact O-N 3.39Å; L227-W230 PolarHBondContact O-N 3.02Å; W230-L232 PolarHBondContact O-N 3.25Å; W230-W257 WeakPolarHBondContact O-CZ2 3.04Å; W230-T291 HydrophobicContact CD2-CG2 4.18Å; W230-T291 HydrophobicContact CG-CG2 4.23Å; W230-Q294 HydrophobicContact CH2-CB 3.8Å; W230-Q294 HydrophobicContact CZ2-CB 3.34Å; W230-Q294 HydrophobicContact CZ2-CG 4.2Å; W230-L295 HydrophobicContact CE3-CD2 3.97Å; W230-L295 HydrophobicContact CE3-CG 4.4Å; W230-L295 HydrophobicContact CH2-CD2 4.28Å; W230-L295 HydrophobicContact CH2-CG 4.46Å; W230-L295 HydrophobicContact CZ3-CD2 3.49Å; W230-L295 VanDerWaalsContact CZ3-CD2 3.49Å; W230-L295 HydrophobicContact CZ3-CG 4.01Å; W230-K298 HydrophobicContact CZ3-CD 4.44Å
231	K	88.9	Confident	86.8	Confident	102 Å²	102	58.4 Å²	58.4	44%	0.443	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-80.2	116.8	167.8	-168.6	-178.6	-178.8	178	0	108.5	W257	K231-W257 HydrophobicContact CG-CH2 4.03Å
232	L	90.1	Very high	85.9	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.042	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-67.8	154.1	175.5	-88.8	58.5	0	0	0	111.7	W230 Y254 W257 L283 I287	W230-L232 PolarHBondContact O-N 3.25Å; L232-Y254 HydrophobicContact CB-CD2 4.05Å; L232-Y254 HydrophobicContact CB-CE2 3.99Å; L232-W257 HydrophobicContact CB-CD2 4.21Å; L232-W257 HydrophobicContact CB-CE3 3.97Å; L232-W257 HydrophobicContact CB-CH2 4.14Å; L232-W257 HydrophobicContact CB-CZ2 4.33Å; L232-W257 HydrophobicContact CB-CZ3 3.94Å; L232-W257 HydrophobicContact CD1-CD2 4.15Å; L232-W257 HydrophobicContact CD1-CZ2 4.03Å; L232-W257 HydrophobicContact CD2-CB 4.35Å; L232-W257 HydrophobicContact CD2-CD2 3.91Å; L232-W257 HydrophobicContact CD2-CE3 4.26Å; L232-W257 HydrophobicContact CD2-CG 3.92Å; L232-W257 HydrophobicContact CG-CD2 4.29Å; L232-L283 HydrophobicContact CD2-CD1 3.95Å; L232-L283 HydrophobicContact CD2-CD2 4.33Å; L232-I287 HydrophobicContact CD1-CD1 4.25Å; L232-I287 HydrophobicContact CD2-CG2 4.11Å; L232-I287 HydrophobicContact CG-CD1 4.38Å; L232-I287 HydrophobicContact CG-CG2 4.08Å
233	E	88.7	Confident	84.6	Confident	33 Å²	33	62.6 Å²	62.6	15%	0.154	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-60.2	144.1	171.4	-61.8	-179.9	110.8	0	0	110	Q237 R241 Y250 Y254 V290	E233-Q237 HydrophobicContact CB-CB 4.26Å; E233-R241 IonicContact OE1-NE 2.71Å; E233-R241 IonicContact OE2-CZ 2.75Å; E233-R241 IonicContact OE2-NE 3.39Å; E233-R241 PolarHBondContact OE2-NE 3.36Å; E233-R241 IonicContact OE2-NH2 2.69Å; E233-R241 PolarHBondContact OE2-NH2 3.48Å; E233-Y250 PolarHBondContact O-OH 3.48Å; E233-Y250 VanDerWaalsContact O-OH 3.13Å; E233-Y254 VanDerWaalsContact O-CD2 3.24Å; E233-Y254 WeakPolarHBondContact O-CD2 3.35Å; E233-Y254 WeakPolarHBondContact O-CE2 3.49Å; E233-V290 HydrophobicContact CG-CG1 4.11Å
234	T	88.9	Confident	83.1	Confident	13 Å²	13	69.8 Å²	69.8	8%	0.08	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-68.8	155.6	174	67.5	0	0	0	0	110.6	D153 T236 Q237 Y238	D153-T234 HydrophobicContact CB-CG2 4.05Å; D153-T234 WeakPolarHBondContact OD1-CB 3.28Å; D153-T234 PolarHBondContact OD1-OG1 3.07Å; T234-T236 PolarHBondContact O-N 2.89Å; T234-T236 VanDerWaalsContact O-N 3.15Å; T234-Q237 WeakPolarHBondContact O-CB 3.34Å; T234-Q237 PolarHBondContact O-N 3.13Å; T234-Q237 WeakPolarHBondContact OG1-CG 3.37Å; T234-Q237 PolarHBondContact OG1-N 2.72Å; T234-Y238 PolarHBondContact O-N 2.68Å
235	P	86.6	Confident	81.6	Confident	4 Å²	4	76.3 Å²	76.3	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-56.3	-32.3	175.1	-25.5	35.6	0	0	0	112.5	D155 Y238 R239 K251 Y254	D155-P235 HydrophobicContact CB-CG 4.19Å; P235-Y238 PolarHBondContact O-N 3.3Å; P235-R239 WeakPolarHBondContact O-CB 3.07Å; P235-R239 PolarHBondContact O-N 3.23Å; P235-K251 HydrophobicContact CB-CB 4.21Å; P235-K251 HydrophobicContact CB-CG 4.44Å; P235-K251 HydrophobicContact CG-CB 4.28Å; P235-K251 HydrophobicContact CG-CG 4.25Å; P235-Y254 HydrophobicContact CG-CD1 3.67Å; P235-Y254 HydrophobicContact CG-CE1 4.26Å; P235-Y254 HydrophobicContact CG-CG 3.93Å
236	T	85.4	Confident	80.5	Confident	59 Å²	59	75.3 Å²	75.3	36%	0.362	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-48.6	172.2	-48.6	0	0	0	0	112.1	D153 T234 Q240	D153-T236 WeakPolarHBondContact OD1-CB 3.27Å; D153-T236 PolarHBondContact OD1-OG1 3.26Å; T234-T236 PolarHBondContact O-N 2.89Å; T234-T236 VanDerWaalsContact O-N 3.15Å; T236-Q240 WeakPolarHBondContact O-CG 3.23Å; T236-Q240 PolarHBondContact O-N 3.35Å
237	Q	85.9	Confident	79.9	Confident	98 Å²	98	74.8 Å²	74.8	46%	0.458	35%	0.346	S	S	.	.	H	α-helix	trans	-67.2	-41	177.4	-71.2	166.4	-20.4	0	0	112	E233 T234 R239 Q240 R241	E233-Q237 HydrophobicContact CB-CB 4.26Å; T234-Q237 WeakPolarHBondContact O-CB 3.34Å; T234-Q237 PolarHBondContact O-N 3.13Å; T234-Q237 WeakPolarHBondContact OG1-CG 3.37Å; T234-Q237 PolarHBondContact OG1-N 2.72Å; Q237-R239 PolarHBondContact O-N 3.33Å; Q237-Q240 PolarHBondContact O-N 3.04Å; Q237-R241 PolarHBondContact O-N 2.71Å
238	Y	84.5	Confident	79.6	Confident	12 Å²	12	80.1 Å²	80.1	5%	0.047	38%	0.378	C	S	.	.	H	α-helix	trans	-61.6	-43.1	176.8	-175.7	-90.3	0	0	0	111.9	T234 P235 Q240 R241 T242 Y250	T234-Y238 PolarHBondContact O-N 2.68Å; P235-Y238 PolarHBondContact O-N 3.3Å; Y238-Q240 VanDerWaalsContact C-N 3.29Å; Y238-Q240 PolarHBondContact O-N 2.63Å; Y238-R241 PolarHBondContact O-N 3.19Å; Y238-T242 HydrophobicContact CE1-CG2 4.21Å; Y238-T242 PolarHBondContact O-N 3.22Å; Y238-T242 VanDerWaalsContact O-N 3.08Å; Y238-Y250 AromaticContact CD1-CD1 3.74Å; Y238-Y250 HydrophobicContact CD1-CD1 3.74Å; Y238-Y250 HydrophobicContact CD1-CE1 4.46Å; Y238-Y250 AromaticContact CD1-CG 3.82Å; Y238-Y250 HydrophobicContact CD1-CG 3.82Å; Y238-Y250 AromaticContact CD2-CD1 3.81Å; Y238-Y250 HydrophobicContact CD2-CD1 3.81Å; Y238-Y250 AromaticContact CD2-CD2 3.95Å; Y238-Y250 HydrophobicContact CD2-CD2 3.95Å; Y238-Y250 AromaticContact CD2-CE1 3.82Å; Y238-Y250 HydrophobicContact CD2-CE1 3.82Å; Y238-Y250 AromaticContact CD2-CE2 3.97Å; Y238-Y250 HydrophobicContact CD2-CE2 3.97Å; Y238-Y250 AromaticContact CD2-CG 3.86Å; Y238-Y250 HydrophobicContact CD2-CG 3.86Å; Y238-Y250 AromaticContact CD2-CZ 3.9Å; Y238-Y250 HydrophobicContact CE1-CD1 4.37Å; Y238-Y250 AromaticContact CE1-CG 3.97Å; Y238-Y250 HydrophobicContact CE1-CG 3.97Å; Y238-Y250 HydrophobicContact CE2-CD1 4.41Å; Y238-Y250 AromaticContact CE2-CD2 3.85Å; Y238-Y250 HydrophobicContact CE2-CD2 3.85Å; Y238-Y250 HydrophobicContact CE2-CE2 4.14Å; Y238-Y250 AromaticContact CE2-CG 4Å; Y238-Y250 HydrophobicContact CE2-CG 4Å; Y238-Y250 AromaticContact CG-CD1 3.42Å; Y238-Y250 HydrophobicContact CG-CD1 3.42Å; Y238-Y250 VanDerWaalsContact CG-CD1 3.42Å; Y238-Y250 HydrophobicContact CG-CD2 4.33Å; Y238-Y250 AromaticContact CG-CE1 3.7Å; Y238-Y250 HydrophobicContact CG-CE1 3.7Å; Y238-Y250 AromaticContact CG-CG 3.76Å; Y238-Y250 HydrophobicContact CG-CG 3.76Å
239	R	83.1	Confident	79.4	Confident	161 Å²	161	82.2 Å²	82.2	61%	0.608	40%	0.397	S	S	*	.	H	α-helix	trans	-63	-32	176.7	-168.1	-175.1	-60.2	-172.2	1.2	113.1	P235 Q237 R241	P235-R239 WeakPolarHBondContact O-CB 3.07Å; P235-R239 PolarHBondContact O-N 3.23Å; Q237-R239 PolarHBondContact O-N 3.33Å; R239-R241 PolarHBondContact O-N 2.89Å
240	Q	81.3	Confident	79.5	Confident	161 Å²	161	76.1 Å²	76.1	75%	0.752	37%	0.373	S	S	*	.	H	α-helix	trans	-68.9	-23.3	174.3	-69.3	174.2	2.4	0	0	112.8	T236 Q237 Y238	T236-Q240 WeakPolarHBondContact O-CG 3.23Å; T236-Q240 PolarHBondContact O-N 3.35Å; Q237-Q240 PolarHBondContact O-N 3.04Å; Y238-Q240 VanDerWaalsContact C-N 3.29Å; Y238-Q240 PolarHBondContact O-N 2.63Å
241	R	80.6	Confident	79.5	Confident	101 Å²	101	77.6 Å²	77.6	38%	0.381	38%	0.381	S	S	.	.	H	α-helix	trans	-92.6	-27.1	-179.1	-179.6	163.9	67	87.5	-10.1	113.6	E233 Q237 Y238 R239 S286 V290	E233-R241 IonicContact OE1-NE 2.71Å; E233-R241 IonicContact OE2-CZ 2.75Å; E233-R241 IonicContact OE2-NE 3.39Å; E233-R241 PolarHBondContact OE2-NE 3.36Å; E233-R241 IonicContact OE2-NH2 2.69Å; E233-R241 PolarHBondContact OE2-NH2 3.48Å; Q237-R241 PolarHBondContact O-N 2.71Å; Y238-R241 PolarHBondContact O-N 3.19Å; R239-R241 PolarHBondContact O-N 2.89Å; R241-S286 PolarHBondContact NH2-O 2.95Å; R241-V290 VanDerWaalsContact CZ-CG2 3.47Å
242	T	71.6	Confident	79.5	Confident	31 Å²	31	75.8 Å²	75.8	19%	0.19	38%	0.375	C	S	.	.			trans	-123	121.5	-167.3	-58.6	0	0	0	0	111.5	Y238 K244	Y238-T242 HydrophobicContact CE1-CG2 4.21Å; Y238-T242 PolarHBondContact O-N 3.22Å; Y238-T242 VanDerWaalsContact O-N 3.08Å; T242-K244 VanDerWaalsContact C-N 3.33Å; T242-K244 HydrophobicContact CG2-CB 4.04Å; T242-K244 PolarHBondContact O-N 3.23Å
243	Q	57.8	Low	79.4	Confident	208 Å²	208	76.4 Å²	76.4	97%	0.972	38%	0.379	S	S	*	.			trans	-85.1	4.9	178.3	-68.6	-177	-16.1	0	0	114.5
244	K	58.3	Low	79.5	Confident	151 Å²	151	74.8 Å²	74.8	66%	0.657	37%	0.371	S	S	*	.	S	Bend	trans	-97.6	156.2	179.8	-77	-171.2	170.6	-169.7	0	112.8	T242 D246	T242-K244 VanDerWaalsContact C-N 3.33Å; T242-K244 HydrophobicContact CG2-CB 4.04Å; T242-K244 PolarHBondContact O-N 3.23Å; K244-D246 WeakPolarHBondContact CB-OD2 3.24Å; K244-D246 WeakPolarHBondContact CD-OD2 3.49Å; K244-D246 PolarHBondContact O-N 3.27Å
245	D	56.9	Low	79.6	Confident	151 Å²	151	75.2 Å²	75.2	81%	0.807	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-4.6	176.8	-68.7	-52.2	0	0	0	115.5	A247 T248	D245-A247 PolarHBondContact O-N 2.74Å; D245-T248 PolarHBondContact O-N 3.06Å; D245-T248 PolarHBondContact O-OG1 3.13Å
246	D	65.4	Low	79.8	Confident	80 Å²	80	77.3 Å²	77.3	43%	0.428	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-11.5	176.8	-60.5	-42.6	0	0	0	114	K244 T248 A249 Y250	K244-D246 WeakPolarHBondContact CB-OD2 3.24Å; K244-D246 WeakPolarHBondContact CD-OD2 3.49Å; K244-D246 PolarHBondContact O-N 3.27Å; D246-T248 PolarHBondContact O-N 3.43Å; D246-A249 PolarHBondContact O-N 3.02Å; D246-Y250 PolarHBondContact O-N 2.68Å
247	A	74.2	Confident	80.1	Confident	16 Å²	16	74.5 Å²	74.5	13%	0.132	36%	0.364	C	S	.	.	H	α-helix	trans	-59	-24.9	178	0	0	0	0	0	114.1	D245 K251	D245-A247 PolarHBondContact O-N 2.74Å; A247-K251 WeakPolarHBondContact O-CB 3.24Å; A247-K251 PolarHBondContact O-N 3.37Å; A247-K251 VanDerWaalsContact O-N 3.1Å
248	T	81.6	Confident	80.3	Confident	114 Å²	114	69.8 Å²	69.8	70%	0.699	34%	0.342	S	S	*	.	H	α-helix	trans	-74.4	-47	176.1	52.5	0	0	0	0	112	D245 D246 K251 L252	D245-T248 PolarHBondContact O-N 3.06Å; D245-T248 PolarHBondContact O-OG1 3.13Å; D246-T248 PolarHBondContact O-N 3.43Å; T248-K251 PolarHBondContact O-N 3.1Å; T248-L252 PolarHBondContact O-N 3.03Å; T248-L252 VanDerWaalsContact O-N 3.14Å
249	A	84.2	Confident	80.6	Confident	52 Å²	52	69.3 Å²	69.3	43%	0.43	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-45.2	173.3	0	0	0	0	0	111.1	D246 K251 L252 D253	D246-A249 PolarHBondContact O-N 3.02Å; A249-K251 VanDerWaalsContact C-N 3.33Å; A249-K251 PolarHBondContact O-N 2.83Å; A249-L252 WeakPolarHBondContact O-CB 3.49Å; A249-L252 PolarHBondContact O-N 3.32Å; A249-L252 VanDerWaalsContact O-N 3.1Å; A249-D253 PolarHBondContact O-N 3.1Å
250	Y	87.8	Confident	80.8	Confident	3 Å²	3	62.4 Å²	62.4	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-40.2	176.2	-172.7	-103	0	0	0	112.8	E233 Y238 D246 L252 D253 Y254 L283 I287	E233-Y250 PolarHBondContact O-OH 3.48Å; E233-Y250 VanDerWaalsContact O-OH 3.13Å; Y238-Y250 AromaticContact CD1-CD1 3.74Å; Y238-Y250 HydrophobicContact CD1-CD1 3.74Å; Y238-Y250 HydrophobicContact CD1-CE1 4.46Å; Y238-Y250 AromaticContact CD1-CG 3.82Å; Y238-Y250 HydrophobicContact CD1-CG 3.82Å; Y238-Y250 AromaticContact CD2-CD1 3.81Å; Y238-Y250 HydrophobicContact CD2-CD1 3.81Å; Y238-Y250 AromaticContact CD2-CD2 3.95Å; Y238-Y250 HydrophobicContact CD2-CD2 3.95Å; Y238-Y250 AromaticContact CD2-CE1 3.82Å; Y238-Y250 HydrophobicContact CD2-CE1 3.82Å; Y238-Y250 AromaticContact CD2-CE2 3.97Å; Y238-Y250 HydrophobicContact CD2-CE2 3.97Å; Y238-Y250 AromaticContact CD2-CG 3.86Å; Y238-Y250 HydrophobicContact CD2-CG 3.86Å; Y238-Y250 AromaticContact CD2-CZ 3.9Å; Y238-Y250 HydrophobicContact CE1-CD1 4.37Å; Y238-Y250 AromaticContact CE1-CG 3.97Å; Y238-Y250 HydrophobicContact CE1-CG 3.97Å; Y238-Y250 HydrophobicContact CE2-CD1 4.41Å; Y238-Y250 AromaticContact CE2-CD2 3.85Å; Y238-Y250 HydrophobicContact CE2-CD2 3.85Å; Y238-Y250 HydrophobicContact CE2-CE2 4.14Å; Y238-Y250 AromaticContact CE2-CG 4Å; Y238-Y250 HydrophobicContact CE2-CG 4Å; Y238-Y250 AromaticContact CG-CD1 3.42Å; Y238-Y250 HydrophobicContact CG-CD1 3.42Å; Y238-Y250 VanDerWaalsContact CG-CD1 3.42Å; Y238-Y250 HydrophobicContact CG-CD2 4.33Å; Y238-Y250 AromaticContact CG-CE1 3.7Å; Y238-Y250 HydrophobicContact CG-CE1 3.7Å; Y238-Y250 AromaticContact CG-CG 3.76Å; Y238-Y250 HydrophobicContact CG-CG 3.76Å; D246-Y250 PolarHBondContact O-N 2.68Å; Y250-L252 VanDerWaalsContact C-N 3.31Å; Y250-L252 PolarHBondContact O-N 3.08Å; Y250-D253 PolarHBondContact O-N 3.48Å; Y250-Y254 HydrophobicContact CE1-CD2 4.49Å; Y250-Y254 VanDerWaalsContact O-CB 3.24Å; Y250-Y254 WeakPolarHBondContact O-CB 3.38Å; Y250-Y254 PolarHBondContact O-N 3.36Å; Y250-L283 HydrophobicContact CE2-CD1 4.25Å; Y250-I287 HydrophobicContact CE2-CG2 3.76Å
251	K	88	Confident	81.2	Confident	72 Å²	72	54.7 Å²	54.7	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-37.3	175.3	176.8	171	173.8	160.9	0	112.3	D155 P235 A247 T248 A249 T255	D155-K251 WeakPolarHBondContact OD1-CE 3.37Å; D155-K251 IonicContact OD1-NZ 2.85Å; D155-K251 PolarHBondContact OD1-NZ 3.3Å; D155-K251 WeakPolarHBondContact OD2-CD 3.37Å; D155-K251 WeakPolarHBondContact OD2-CE 3.19Å; D155-K251 IonicContact OD2-NZ 3.77Å; D155-K251 PolarHBondContact OD2-NZ 3.48Å; P235-K251 HydrophobicContact CB-CB 4.21Å; P235-K251 HydrophobicContact CB-CG 4.44Å; P235-K251 HydrophobicContact CG-CB 4.28Å; P235-K251 HydrophobicContact CG-CG 4.25Å; A247-K251 WeakPolarHBondContact O-CB 3.24Å; A247-K251 PolarHBondContact O-N 3.37Å; A247-K251 VanDerWaalsContact O-N 3.1Å; T248-K251 PolarHBondContact O-N 3.1Å; A249-K251 VanDerWaalsContact C-N 3.33Å; A249-K251 PolarHBondContact O-N 2.83Å; K251-T255 WeakPolarHBondContact O-CB 3.47Å; K251-T255 PolarHBondContact O-N 3.05Å; K251-T255 PolarHBondContact O-OG1 3.26Å
252	L	88.6	Confident	81.6	Confident	64 Å²	64	51.8 Å²	51.8	34%	0.335	27%	0.269	S	S	.	.	H	α-helix	trans	-64.6	-48.2	176.1	-173.3	66.5	0	0	0	111.1	L183 T248 A249 Y250 T255 R256	L183-L252 HydrophobicContact CD2-CD1 3.62Å; T248-L252 PolarHBondContact O-N 3.03Å; T248-L252 VanDerWaalsContact O-N 3.14Å; A249-L252 WeakPolarHBondContact O-CB 3.49Å; A249-L252 PolarHBondContact O-N 3.32Å; A249-L252 VanDerWaalsContact O-N 3.1Å; Y250-L252 VanDerWaalsContact C-N 3.31Å; Y250-L252 PolarHBondContact O-N 3.08Å; L252-T255 WeakPolarHBondContact O-CB 3.41Å; L252-T255 PolarHBondContact O-N 3.49Å; L252-R256 WeakPolarHBondContact O-CG 3.38Å; L252-R256 PolarHBondContact O-N 2.92Å
253	D	88.6	Confident	82.4	Confident	20 Å²	20	50.7 Å²	50.7	11%	0.107	26%	0.262	C	S	.	.	H	α-helix	trans	-69.6	-35.4	179.1	-69.6	-24.3	0	0	0	113.1	A249 Y250 T255 R256 W257 F279 L283	A249-D253 PolarHBondContact O-N 3.1Å; Y250-D253 PolarHBondContact O-N 3.48Å; D253-T255 VanDerWaalsContact C-N 3.31Å; D253-T255 PolarHBondContact O-N 3.37Å; D253-R256 PolarHBondContact O-N 2.99Å; D253-R256 WeakPolarHBondContact OD1-CD 3.4Å; D253-R256 IonicContact OD1-CZ 3.35Å; D253-R256 IonicContact OD1-NH1 3.12Å; D253-R256 PolarHBondContact OD1-NH1 3.44Å; D253-W257 VanDerWaalsContact O-CB 3.32Å; D253-W257 WeakPolarHBondContact O-CB 3.42Å; D253-W257 PolarHBondContact O-N 3.41Å; D253-F279 HydrophobicContact CB-CE1 4.14Å; D253-L283 HydrophobicContact CB-CD1 4.14Å
254	Y	90.9	Very high	83.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-43	170.4	-174.9	-98.4	0	0	0	111.7	T156 L232 E233 P235 Y250 W257 L258	T156-Y254 PolarHBondContact OG1-OH 3.4Å; L232-Y254 HydrophobicContact CB-CD2 4.05Å; L232-Y254 HydrophobicContact CB-CE2 3.99Å; E233-Y254 VanDerWaalsContact O-CD2 3.24Å; E233-Y254 WeakPolarHBondContact O-CD2 3.35Å; E233-Y254 WeakPolarHBondContact O-CE2 3.49Å; P235-Y254 HydrophobicContact CG-CD1 3.67Å; P235-Y254 HydrophobicContact CG-CE1 4.26Å; P235-Y254 HydrophobicContact CG-CG 3.93Å; Y250-Y254 HydrophobicContact CE1-CD2 4.49Å; Y250-Y254 VanDerWaalsContact O-CB 3.24Å; Y250-Y254 WeakPolarHBondContact O-CB 3.38Å; Y250-Y254 PolarHBondContact O-N 3.36Å; Y254-W257 HydrophobicContact CD2-CE3 4.02Å; Y254-W257 HydrophobicContact CD2-CZ3 4.25Å; Y254-W257 AromaticContact CE2-CE3 3.9Å; Y254-W257 HydrophobicContact CE2-CE3 3.9Å; Y254-W257 AromaticContact CE2-CZ3 3.65Å; Y254-W257 HydrophobicContact CE2-CZ3 3.65Å; Y254-W257 PolarHBondContact O-N 2.7Å; Y254-L258 HydrophobicContact CD1-CD1 3.97Å; Y254-L258 HydrophobicContact CD1-CG 4.39Å; Y254-L258 HydrophobicContact CE1-CD1 3.42Å; Y254-L258 VanDerWaalsContact CE1-CD1 3.42Å; Y254-L258 HydrophobicContact CE1-CG 4Å; Y254-L258 PolarHBondContact O-N 2.88Å
255	T	90.6	Very high	85.1	Confident	21 Å²	21	34.8 Å²	34.8	13%	0.129	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-44.9	177.2	-59	0	0	0	0	111.4	V159 L183 K251 L252 D253 L258 C259	V159-T255 HydrophobicContact CG2-CG2 3.8Å; L183-T255 HydrophobicContact CD1-CG2 3.77Å; L183-T255 HydrophobicContact CD2-CG2 3.75Å; L183-T255 HydrophobicContact CG-CG2 4.44Å; K251-T255 WeakPolarHBondContact O-CB 3.47Å; K251-T255 PolarHBondContact O-N 3.05Å; K251-T255 PolarHBondContact O-OG1 3.26Å; L252-T255 WeakPolarHBondContact O-CB 3.41Å; L252-T255 PolarHBondContact O-N 3.49Å; D253-T255 VanDerWaalsContact C-N 3.31Å; D253-T255 PolarHBondContact O-N 3.37Å; T255-L258 PolarHBondContact O-N 2.96Å; T255-C259 PolarHBondContact O-N 3.5Å; T255-C259 VanDerWaalsContact O-N 3.07Å; T255-C259 PolarHBondContact O-SG 2.93Å
256	R	90.1	Very high	86.2	Confident	48 Å²	48	28.9 Å²	28.9	18%	0.181	16%	0.161	C	C	.	.	H	α-helix	trans	-57.9	-47.8	172.8	-71.5	165.2	171.6	160.5	-5.5	111.5	L183 F188 L252 D253 L258 C259 Y260 F279	L183-R256 HydrophobicContact CB-CG 4.36Å; L183-R256 VanDerWaalsContact O-CZ 3.32Å; L183-R256 PolarHBondContact O-NE 3.08Å; L183-R256 PolarHBondContact O-NH2 3.05Å; F188-R256 HydrophobicContact CD1-CG 4.34Å; F188-R256 HydrophobicContact CD2-CB 4.45Å; F188-R256 HydrophobicContact CE1-CB 4.41Å; F188-R256 HydrophobicContact CE1-CG 3.87Å; F188-R256 HydrophobicContact CE2-CB 3.89Å; F188-R256 HydrophobicContact CE2-CG 4.23Å; F188-R256 HydrophobicContact CZ-CB 3.88Å; F188-R256 HydrophobicContact CZ-CG 3.83Å; L252-R256 WeakPolarHBondContact O-CG 3.38Å; L252-R256 PolarHBondContact O-N 2.92Å; D253-R256 PolarHBondContact O-N 2.99Å; D253-R256 WeakPolarHBondContact OD1-CD 3.4Å; D253-R256 IonicContact OD1-CZ 3.35Å; D253-R256 IonicContact OD1-NH1 3.12Å; D253-R256 PolarHBondContact OD1-NH1 3.44Å; R256-L258 PolarHBondContact O-N 3.28Å; R256-C259 PolarHBondContact O-N 3.11Å; R256-Y260 WeakPolarHBondContact O-CD2 3.32Å; R256-Y260 PolarHBondContact O-N 3.3Å; R256-F279 HydrophobicContact CB-CE1 4.06Å; R256-F279 HydrophobicContact CB-CZ 3.73Å
257	W	92	Very high	87.1	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-41	-179.3	167.3	78.4	0	0	0	112	W230 K231 L232 D253 Y254 C261 H262 F279	W230-W257 WeakPolarHBondContact O-CZ2 3.04Å; K231-W257 HydrophobicContact CG-CH2 4.03Å; L232-W257 HydrophobicContact CB-CD2 4.21Å; L232-W257 HydrophobicContact CB-CE3 3.97Å; L232-W257 HydrophobicContact CB-CH2 4.14Å; L232-W257 HydrophobicContact CB-CZ2 4.33Å; L232-W257 HydrophobicContact CB-CZ3 3.94Å; L232-W257 HydrophobicContact CD1-CD2 4.15Å; L232-W257 HydrophobicContact CD1-CZ2 4.03Å; L232-W257 HydrophobicContact CD2-CB 4.35Å; L232-W257 HydrophobicContact CD2-CD2 3.91Å; L232-W257 HydrophobicContact CD2-CE3 4.26Å; L232-W257 HydrophobicContact CD2-CG 3.92Å; L232-W257 HydrophobicContact CG-CD2 4.29Å; D253-W257 VanDerWaalsContact O-CB 3.32Å; D253-W257 WeakPolarHBondContact O-CB 3.42Å; D253-W257 PolarHBondContact O-N 3.41Å; Y254-W257 HydrophobicContact CD2-CE3 4.02Å; Y254-W257 HydrophobicContact CD2-CZ3 4.25Å; Y254-W257 AromaticContact CE2-CE3 3.9Å; Y254-W257 HydrophobicContact CE2-CE3 3.9Å; Y254-W257 AromaticContact CE2-CZ3 3.65Å; Y254-W257 HydrophobicContact CE2-CZ3 3.65Å; Y254-W257 PolarHBondContact O-N 2.7Å; W257-C261 HydrophobicContact CG-CB 4.48Å; W257-C261 CarbonylContact O-C 3.59Å; W257-C261 WeakPolarHBondContact O-CA 3.35Å; W257-C261 VanDerWaalsContact O-CB 3.3Å; W257-C261 WeakPolarHBondContact O-CB 3.31Å; W257-C261 PolarHBondContact O-N 2.97Å; W257-H262 HydrophobicContact CD2-CB 4.16Å; W257-H262 HydrophobicContact CE3-CB 4.37Å; W257-H262 HydrophobicContact CH2-CB 3.7Å; W257-H262 AromaticContact CH2-CD2 3.56Å; W257-H262 AromaticContact CH2-CG 3.44Å; W257-H262 VanDerWaalsContact CH2-CG 3.44Å; W257-H262 AromaticContact CH2-ND1 3.9Å; W257-H262 HydrophobicContact CZ2-CB 3.47Å; W257-H262 VanDerWaalsContact CZ2-CB 3.47Å; W257-H262 AromaticContact CZ2-CG 3.45Å; W257-H262 VanDerWaalsContact CZ2-CG 3.45Å; W257-H262 AromaticContact CZ2-ND1 3.65Å; W257-H262 HydrophobicContact CZ3-CB 4.16Å; W257-H262 PolarHBondContact O-N 2.75Å; W257-F279 HydrophobicContact CB-CE2 3.9Å; W257-F279 HydrophobicContact CB-CZ 3.92Å
258	L	90.8	Very high	87.5	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-60.9	-51.1	172.9	-78.1	-179.6	0	0	0	111.9	T156 V159 Y160 Y254 T255 R256 H262 V263	T156-L258 HydrophobicContact CG2-CD1 4.02Å; V159-L258 HydrophobicContact CB-CD1 3.96Å; V159-L258 HydrophobicContact CG1-CB 3.82Å; V159-L258 HydrophobicContact CG1-CD1 4.03Å; V159-L258 HydrophobicContact CG2-CD1 4.14Å; Y160-L258 HydrophobicContact CE1-CD2 4.22Å; Y254-L258 HydrophobicContact CD1-CD1 3.97Å; Y254-L258 HydrophobicContact CD1-CG 4.39Å; Y254-L258 HydrophobicContact CE1-CD1 3.42Å; Y254-L258 VanDerWaalsContact CE1-CD1 3.42Å; Y254-L258 HydrophobicContact CE1-CG 4Å; Y254-L258 PolarHBondContact O-N 2.88Å; T255-L258 PolarHBondContact O-N 2.96Å; R256-L258 PolarHBondContact O-N 3.28Å; L258-H262 HydrophobicContact CD2-CB 4.2Å; L258-V263 VanDerWaalsContact O-CB 3.3Å; L258-V263 WeakPolarHBondContact O-CB 3.31Å; L258-V263 VanDerWaalsContact O-CG2 3.3Å; L258-V263 WeakPolarHBondContact O-CG2 3.3Å; L258-V263 PolarHBondContact O-N 2.75Å
259	C	89.7	Confident	87.6	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.014	13%	0.134	C	C	.	.	I	π-helix	trans	-65.3	-43.6	-175.5	-73.5	0	0	0	0	114.1	V179 T255 R256 P264	V179-C259 HydrophobicContact CG1-CB 4.24Å; V179-C259 HydrophobicContact CG2-CB 4.42Å; T255-C259 PolarHBondContact O-N 3.5Å; T255-C259 VanDerWaalsContact O-N 3.07Å; T255-C259 PolarHBondContact O-SG 2.93Å; R256-C259 PolarHBondContact O-N 3.11Å; C259-P264 WeakPolarHBondContact O-CD 3.26Å; C259-P264 WeakPolarHBondContact O-CG 3.49Å
260	Y	88.6	Confident	87.8	Confident	15 Å²	15	22.5 Å²	22.5	6%	0.059	12%	0.115	C	C	.	.	I	π-helix	trans	-105	-20	-169.9	-63.3	-76.5	0	0	0	114.3	V179 G184 P186 F188 R256 Y273	V179-Y260 HydrophobicContact CB-CE1 3.88Å; V179-Y260 WeakPolarHBondContact CB-OH 3.44Å; V179-Y260 HydrophobicContact CG1-CE1 4.36Å; V179-Y260 HydrophobicContact CG1-CE2 4.23Å; V179-Y260 WeakPolarHBondContact CG1-OH 3.49Å; V179-Y260 HydrophobicContact CG2-CE1 4.35Å; V179-Y260 PolarHBondContact O-OH 3.41Å; G184-Y260 PolarHBondContact O-OH 3.16Å; P186-Y260 HydrophobicContact CG-CD1 4.07Å; P186-Y260 HydrophobicContact CG-CE1 4.33Å; P186-Y260 HydrophobicContact CG-CG 4.41Å; F188-Y260 HydrophobicContact CE1-CE2 4.43Å; F188-Y260 HydrophobicContact CE2-CD2 4.2Å; F188-Y260 AromaticContact CZ-CD2 3.58Å; F188-Y260 HydrophobicContact CZ-CD2 3.58Å; F188-Y260 AromaticContact CZ-CE2 3.74Å; F188-Y260 HydrophobicContact CZ-CE2 3.74Å; F188-Y260 HydrophobicContact CZ-CG 4.33Å; R256-Y260 WeakPolarHBondContact O-CD2 3.32Å; R256-Y260 PolarHBondContact O-N 3.3Å; Y260-Y273 HydrophobicContact CD1-CD2 4.01Å; Y260-Y273 AromaticContact CD1-CE2 3.99Å; Y260-Y273 HydrophobicContact CD1-CE2 3.99Å; Y260-Y273 HydrophobicContact CG-CD2 4.46Å; Y260-Y273 PolarHBondContact O-N 3.13Å
261	C	88.9	Confident	87.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-118.6	-54.6	-174.5	-58.5	0	0	0	0	113.4	W257 Q265 Y273	W257-C261 HydrophobicContact CG-CB 4.48Å; W257-C261 CarbonylContact O-C 3.59Å; W257-C261 WeakPolarHBondContact O-CA 3.35Å; W257-C261 VanDerWaalsContact O-CB 3.3Å; W257-C261 WeakPolarHBondContact O-CB 3.31Å; W257-C261 PolarHBondContact O-N 2.97Å; C261-Q265 VanDerWaalsContact O-CG 3.29Å; C261-Q265 WeakPolarHBondContact O-CG 3.41Å; C261-Q265 PolarHBondContact O-NE2 3.49Å; C261-Q265 VanDerWaalsContact O-NE2 3.08Å; C261-Y273 WeakPolarHBondContact CA-O 3.43Å; C261-Y273 PolarHBondContact SG-O 3.07Å; C261-Y273 VanDerWaalsContact SG-O 3.37Å
262	H	88.4	Confident	87.7	Confident	40 Å²	40	27 Å²	27	19%	0.185	14%	0.136	C	C	.	.	I	π-helix	trans	-81.9	-52.1	-169.7	-168.8	52.9	0	0	0	113.9	W257 L258 Q265	W257-H262 HydrophobicContact CD2-CB 4.16Å; W257-H262 HydrophobicContact CE3-CB 4.37Å; W257-H262 HydrophobicContact CH2-CB 3.7Å; W257-H262 AromaticContact CH2-CD2 3.56Å; W257-H262 AromaticContact CH2-CG 3.44Å; W257-H262 VanDerWaalsContact CH2-CG 3.44Å; W257-H262 AromaticContact CH2-ND1 3.9Å; W257-H262 HydrophobicContact CZ2-CB 3.47Å; W257-H262 VanDerWaalsContact CZ2-CB 3.47Å; W257-H262 AromaticContact CZ2-CG 3.45Å; W257-H262 VanDerWaalsContact CZ2-CG 3.45Å; W257-H262 AromaticContact CZ2-ND1 3.65Å; W257-H262 HydrophobicContact CZ3-CB 4.16Å; W257-H262 PolarHBondContact O-N 2.75Å; L258-H262 HydrophobicContact CD2-CB 4.2Å; H262-Q265 WeakPolarHBondContact O-CB 3.44Å; H262-Q265 PolarHBondContact O-N 3.35Å
263	V	88.1	Confident	87.7	Confident	7 Å²	7	28.5 Å²	28.5	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-43	-179.8	-179.2	0	0	0	0	111.3	L144 Y160 L163 L258 Q265 S266 N267 L270	L144-V263 HydrophobicContact CD2-CG1 3.91Å; Y160-V263 HydrophobicContact CD1-CG2 3.94Å; Y160-V263 HydrophobicContact CE1-CG2 3.59Å; L163-V263 HydrophobicContact CD1-CB 3.9Å; L163-V263 HydrophobicContact CD1-CG1 3.81Å; L163-V263 HydrophobicContact CD1-CG2 3.87Å; L258-V263 VanDerWaalsContact O-CB 3.3Å; L258-V263 WeakPolarHBondContact O-CB 3.31Å; L258-V263 VanDerWaalsContact O-CG2 3.3Å; L258-V263 WeakPolarHBondContact O-CG2 3.3Å; L258-V263 PolarHBondContact O-N 2.75Å; V263-Q265 PolarHBondContact O-N 3.16Å; V263-S266 PolarHBondContact O-N 3.11Å; V263-N267 HydrophobicContact CG1-CB 4.19Å; V263-N267 VanDerWaalsContact CG1-OD1 3.25Å; V263-N267 WeakPolarHBondContact CG1-OD1 3.22Å; V263-N267 WeakPolarHBondContact O-CB 3.43Å; V263-N267 PolarHBondContact O-N 3.34Å; V263-L270 HydrophobicContact CG1-CD1 3.85Å
264	P	88.9	Confident	87.7	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-59.1	-18.5	175	-27.2	37.3	0	0	0	115.6	C259 L270 P271 R272	C259-P264 WeakPolarHBondContact O-CD 3.26Å; C259-P264 WeakPolarHBondContact O-CG 3.49Å; P264-L270 HydrophobicContact CB-CB 4.15Å; P264-L270 HydrophobicContact CG-CB 3.84Å; P264-L270 HydrophobicContact CG-CD1 4.48Å; P264-P271 WeakPolarHBondContact CG-O 3.08Å; P264-R272 HydrophobicContact CB-CB 3.77Å; P264-R272 HydrophobicContact CB-CG 4.02Å
265	Q	84.5	Confident	87.7	Confident	22 Å²	22	29.9 Å²	29.9	10%	0.103	15%	0.145	C	C	.	.	H	α-helix	trans	-67.9	-37	171.6	-70.8	165.5	26.4	0	0	112.2	Q46 N228 C261 H262 V263	Q46-Q265 WeakPolarHBondContact CG-O 3.45Å; Q46-Q265 PolarHBondContact NE2-O 2.82Å; N228-Q265 PolarHBondContact O-NE2 2.85Å; C261-Q265 VanDerWaalsContact O-CG 3.29Å; C261-Q265 WeakPolarHBondContact O-CG 3.41Å; C261-Q265 PolarHBondContact O-NE2 3.49Å; C261-Q265 VanDerWaalsContact O-NE2 3.08Å; H262-Q265 WeakPolarHBondContact O-CB 3.44Å; H262-Q265 PolarHBondContact O-N 3.35Å; V263-Q265 PolarHBondContact O-N 3.16Å
266	S	81	Confident	87.5	Confident	28 Å²	28	29 Å²	29	20%	0.196	14%	0.139	C	C	.	.	H	α-helix	trans	-92.4	-23.3	177.5	-64.1	0	0	0	0	112.8	V263	V263-S266 PolarHBondContact O-N 3.11Å
267	N	83.3	Confident	87.4	Confident	8 Å²	8	30.5 Å²	30.5	4%	0.043	15%	0.148	C	C	.	.			trans	-124.8	77.8	-173.9	-60.8	115.4	0	0	0	111.1	D140 V263 S269 L270	D140-N267 WeakPolarHBondContact CA-ND2 3.47Å; D140-N267 HydrophobicContact CB-CB 4.04Å; D140-N267 WeakPolarHBondContact CB-ND2 3.49Å; D140-N267 VanDerWaalsContact CG-ND2 3.26Å; D140-N267 WeakPolarHBondContact OD1-CA 3.46Å; D140-N267 PolarHBondContact OD1-ND2 3.1Å; V263-N267 HydrophobicContact CG1-CB 4.19Å; V263-N267 VanDerWaalsContact CG1-OD1 3.25Å; V263-N267 WeakPolarHBondContact CG1-OD1 3.22Å; V263-N267 WeakPolarHBondContact O-CB 3.43Å; V263-N267 PolarHBondContact O-N 3.34Å; N267-S269 PolarHBondContact O-N 3.45Å; N267-L270 HydrophobicContact CB-CD1 4.44Å; N267-L270 PolarHBondContact O-N 3.37Å
268	D	82.4	Confident	87.2	Confident	89 Å²	89	30.8 Å²	30.8	48%	0.476	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-10.3	-177	61.1	48.4	0	0	0	116.4	K53 L270	K53-D268 WeakPolarHBondContact CD-OD2 3.45Å; K53-D268 IonicContact NZ-OD1 3.38Å; K53-D268 PolarHBondContact NZ-OD1 3.01Å; K53-D268 IonicContact NZ-OD2 2.75Å; K53-D268 PolarHBondContact NZ-OD2 2.8Å; D268-L270 PolarHBondContact O-N 3.39Å
269	S	84.6	Confident	87.2	Confident	24 Å²	24	30.8 Å²	30.8	17%	0.168	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.3	173.3	-49.9	0	0	0	0	113.3	M137 D140 P177 N267	M137-S269 WeakPolarHBondContact CA-OG 3.12Å; M137-S269 WeakPolarHBondContact CG-OG 3.32Å; M137-S269 PolarHBondContact N-OG 2.95Å; D140-S269 VanDerWaalsContact OD2-CB 3.24Å; D140-S269 WeakPolarHBondContact OD2-CB 3.44Å; D140-S269 PolarHBondContact OD2-N 3.01Å; D140-S269 PolarHBondContact OD2-OG 3.05Å; P177-S269 WeakPolarHBondContact CG-O 3.34Å; N267-S269 PolarHBondContact O-N 3.45Å
270	L	87.1	Confident	87.1	Confident	6 Å²	6	30.7 Å²	30.7	3%	0.031	15%	0.149	C	C	.	.	S	Bend	trans	-90.1	146.4	178.7	-67.5	169.9	0	0	0	111	L163 L167 P177 V263 P264 N267 D268 R272	L163-L270 HydrophobicContact CD1-CD1 4.29Å; L163-L270 HydrophobicContact CD2-CD1 4.22Å; L163-L270 HydrophobicContact CD2-CD2 4.46Å; L167-L270 HydrophobicContact CD2-CD2 3.76Å; L167-L270 HydrophobicContact CD2-CG 4.19Å; L167-L270 HydrophobicContact CG-CD2 4.35Å; P177-L270 HydrophobicContact CB-CD2 4Å; P177-L270 HydrophobicContact CG-CD2 4.18Å; V263-L270 HydrophobicContact CG1-CD1 3.85Å; P264-L270 HydrophobicContact CB-CB 4.15Å; P264-L270 HydrophobicContact CG-CB 3.84Å; P264-L270 HydrophobicContact CG-CD1 4.48Å; N267-L270 HydrophobicContact CB-CD1 4.44Å; N267-L270 PolarHBondContact O-N 3.37Å; D268-L270 PolarHBondContact O-N 3.39Å; L270-R272 PolarHBondContact O-N 3.22Å; L270-R272 VanDerWaalsContact O-N 3.11Å
271	P	86.1	Confident	86.9	Confident	51 Å²	51	32.1 Å²	32.1	33%	0.331	15%	0.154	S	C	.	.			trans	-55.2	115.8	173.3	-27.4	36.1	0	0	0	112.3	P177 P264 Y273	P177-P271 VanDerWaalsContact O-CD 3.23Å; P177-P271 WeakPolarHBondContact O-CD 3.33Å; P264-P271 WeakPolarHBondContact CG-O 3.08Å; P271-Y273 HydrophobicContact CB-CD2 4.49Å; P271-Y273 HydrophobicContact CB-CE2 3.74Å
272	R	88.1	Confident	86.7	Confident	118 Å²	118	36.8 Å²	36.8	45%	0.445	18%	0.179	S	C	.	.			trans	-92.5	124.5	179.4	-170.7	-172.6	88.3	88.7	-1.2	111.2	P264 L270 E274	P264-R272 HydrophobicContact CB-CB 3.77Å; P264-R272 HydrophobicContact CB-CG 4.02Å; L270-R272 PolarHBondContact O-N 3.22Å; L270-R272 VanDerWaalsContact O-N 3.11Å; R272-E274 IonicContact CZ-OE1 3.54Å; R272-E274 VanDerWaalsContact CZ-OE1 3.27Å; R272-E274 IonicContact NH1-OE1 3.67Å; R272-E274 PolarHBondContact NH1-OE1 2.86Å; R272-E274 IonicContact NH2-OE1 3.92Å; R272-E274 PolarHBondContact NH2-OE1 2.96Å
273	Y	89.2	Confident	86.7	Confident	97 Å²	97	34.9 Å²	34.9	38%	0.38	17%	0.17	S	C	.	.			trans	-119.9	153	169.3	-61	-92.4	0	0	0	110.9	P186 Y260 C261 P271 V278	P186-Y273 HydrophobicContact CB-CD1 4.33Å; P186-Y273 HydrophobicContact CB-CE1 4.47Å; P186-Y273 HydrophobicContact CB-CG 4.46Å; P186-Y273 HydrophobicContact CG-CD1 4.03Å; P186-Y273 HydrophobicContact CG-CD2 3.89Å; P186-Y273 HydrophobicContact CG-CE1 3.84Å; P186-Y273 HydrophobicContact CG-CE2 3.68Å; P186-Y273 HydrophobicContact CG-CG 4.06Å; Y260-Y273 HydrophobicContact CD1-CD2 4.01Å; Y260-Y273 AromaticContact CD1-CE2 3.99Å; Y260-Y273 HydrophobicContact CD1-CE2 3.99Å; Y260-Y273 HydrophobicContact CG-CD2 4.46Å; Y260-Y273 PolarHBondContact O-N 3.13Å; C261-Y273 WeakPolarHBondContact CA-O 3.43Å; C261-Y273 PolarHBondContact SG-O 3.07Å; C261-Y273 VanDerWaalsContact SG-O 3.37Å; P271-Y273 HydrophobicContact CB-CD2 4.49Å; P271-Y273 HydrophobicContact CB-CE2 3.74Å; Y273-V278 HydrophobicContact CD1-CG1 3.99Å; Y273-V278 HydrophobicContact CG-CG1 4.06Å
274	E	88.3	Confident	86.7	Confident	47 Å²	47	34.6 Å²	34.6	22%	0.22	17%	0.168	C	C	.	.			trans	-86.6	133.2	177.4	-52.8	-128.5	133	0	0	110.4	N228 R272 T276 Q277 V278	N228-E274 PolarHBondContact ND2-OE2 3.06Å; R272-E274 IonicContact CZ-OE1 3.54Å; R272-E274 VanDerWaalsContact CZ-OE1 3.27Å; R272-E274 IonicContact NH1-OE1 3.67Å; R272-E274 PolarHBondContact NH1-OE1 2.86Å; R272-E274 IonicContact NH2-OE1 3.92Å; R272-E274 PolarHBondContact NH2-OE1 2.96Å; E274-T276 PolarHBondContact O-N 2.89Å; E274-T276 VanDerWaalsContact O-N 3.17Å; E274-Q277 HydrophobicContact CB-CB 4.24Å; E274-Q277 HydrophobicContact CB-CG 4.04Å; E274-Q277 PolarHBondContact O-N 3.49Å; E274-V278 PolarHBondContact O-N 3.36Å
275	T	90	Very high	86.6	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-51.6	-41.5	-179.9	-48.9	0	0	0	0	111.5	N228 Q277 F279 L283	N228-T275 WeakPolarHBondContact OD1-CB 3.49Å; N228-T275 PolarHBondContact OD1-N 2.81Å; T275-Q277 PolarHBondContact O-N 3.36Å; T275-F279 HydrophobicContact CG2-CD2 3.95Å; T275-F279 HydrophobicContact CG2-CE2 4.46Å; T275-F279 WeakPolarHBondContact O-CD2 3.48Å; T275-F279 PolarHBondContact O-N 3.36Å; T275-L283 HydrophobicContact CG2-CD2 4.34Å
276	T	88.1	Confident	86.7	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-72.8	-12.3	-178.3	56	0	0	0	0	114.6	I193 E194 L224 L227 N228 E274	I193-T276 HydrophobicContact CB-CG2 4.46Å; I193-T276 HydrophobicContact CG2-CG2 4.02Å; I193-T276 PolarHBondContact N-O 3.17Å; E194-T276 PolarHBondContact N-O 3.13Å; L224-T276 HydrophobicContact CB-CG2 4.33Å; L224-T276 HydrophobicContact CD2-CG2 3.52Å; L227-T276 HydrophobicContact CB-CG2 3.86Å; L227-T276 HydrophobicContact CD1-CG2 4.12Å; N228-T276 PolarHBondContact ND2-OG1 3.39Å; N228-T276 WeakPolarHBondContact OD1-CG2 3.15Å; N228-T276 PolarHBondContact OD1-N 3.23Å; N228-T276 PolarHBondContact OD1-OG1 2.97Å; E274-T276 PolarHBondContact O-N 2.89Å; E274-T276 VanDerWaalsContact O-N 3.17Å
277	Q	87.9	Confident	87.1	Confident	81 Å²	81	36.6 Å²	36.6	38%	0.379	18%	0.177	S	C	.	.	H	α-helix	trans	-102	-26.3	-177.3	-68.9	180	-12.4	0	0	113.3	N192 E194 E274 T275	N192-Q277 WeakPolarHBondContact CB-O 3.34Å; N192-Q277 PolarHBondContact ND2-O 3.2Å; N192-Q277 VanDerWaalsContact ND2-O 3.13Å; E194-Q277 VanDerWaalsContact OE2-CG 3.29Å; E194-Q277 WeakPolarHBondContact OE2-CG 3.3Å; E194-Q277 PolarHBondContact OE2-NE2 2.95Å; E274-Q277 HydrophobicContact CB-CB 4.24Å; E274-Q277 HydrophobicContact CB-CG 4.04Å; E274-Q277 PolarHBondContact O-N 3.49Å; T275-Q277 PolarHBondContact O-N 3.36Å
278	V	88.1	Confident	87.4	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-105	-15.7	-176.6	-56.2	0	0	0	0	114.5	P186 F188 Y273 E274	P186-V278 HydrophobicContact CB-CB 3.88Å; P186-V278 HydrophobicContact CB-CG1 3.55Å; F188-V278 WeakPolarHBondContact CB-O 3.49Å; F188-V278 HydrophobicContact CD2-CB 4.09Å; F188-V278 HydrophobicContact CD2-CG2 4.09Å; F188-V278 WeakPolarHBondContact CD2-O 3.36Å; F188-V278 HydrophobicContact CE2-CB 4.25Å; F188-V278 HydrophobicContact CE2-CG2 4.06Å; F188-V278 PolarHBondContact N-O 2.78Å; Y273-V278 HydrophobicContact CD1-CG1 3.99Å; Y273-V278 HydrophobicContact CG-CG1 4.06Å; E274-V278 PolarHBondContact O-N 3.36Å
279	F	90.7	Very high	87.6	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.166	C	C	.	.			trans	-115	158.3	175.9	-63.7	-77	0	0	0	111.7	F188 N192 I193 D253 R256 W257 T275 L283	F188-F279 HydrophobicContact CB-CD1 4.47Å; F188-F279 AromaticContact CD2-CD1 3.96Å; F188-F279 HydrophobicContact CD2-CD1 3.96Å; F188-F279 AromaticContact CD2-CE1 3.59Å; F188-F279 HydrophobicContact CD2-CE1 3.59Å; F188-F279 HydrophobicContact CD2-CE2 4.42Å; F188-F279 AromaticContact CD2-CZ 3.84Å; F188-F279 HydrophobicContact CD2-CZ 3.84Å; F188-F279 HydrophobicContact CE2-CE1 4.15Å; F188-F279 AromaticContact CE2-CZ 3.96Å; F188-F279 HydrophobicContact CE2-CZ 3.96Å; F188-F279 HydrophobicContact CG-CE1 4.32Å; N192-F279 WeakPolarHBondContact CA-O 3.33Å; I193-F279 HydrophobicContact CD1-CB 4.1Å; I193-F279 WeakPolarHBondContact CG1-O 3.13Å; I193-F279 PolarHBondContact N-O 3.09Å; D253-F279 HydrophobicContact CB-CE1 4.14Å; R256-F279 HydrophobicContact CB-CE1 4.06Å; R256-F279 HydrophobicContact CB-CZ 3.73Å; W257-F279 HydrophobicContact CB-CE2 3.9Å; W257-F279 HydrophobicContact CB-CZ 3.92Å; T275-F279 HydrophobicContact CG2-CD2 3.95Å; T275-F279 HydrophobicContact CG2-CE2 4.46Å; T275-F279 WeakPolarHBondContact O-CD2 3.48Å; T275-F279 PolarHBondContact O-N 3.36Å; F279-L283 HydrophobicContact CB-CB 4.06Å; F279-L283 HydrophobicContact CB-CD2 3.69Å; F279-L283 HydrophobicContact CB-CG 4.49Å; F279-L283 HydrophobicContact CD1-CB 4.13Å; F279-L283 HydrophobicContact CD1-CD2 3.65Å; F279-L283 HydrophobicContact CD1-CG 4.48Å; F279-L283 HydrophobicContact CD2-CD2 3.52Å; F279-L283 HydrophobicContact CE1-CD2 4.09Å; F279-L283 HydrophobicContact CE2-CD2 3.98Å; F279-L283 HydrophobicContact CG-CB 4.26Å; F279-L283 HydrophobicContact CG-CD2 3.34Å; F279-L283 HydrophobicContact CG-CG 4.42Å; F279-L283 HydrophobicContact CZ-CD2 4.24Å
280	G	86.9	Confident	87.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.			trans	-129.8	-133.4	-177.7	0	0	0	0	0	112.7	E189 L284	E189-G280 VanDerWaalsContact CD-CA 3.47Å; E189-G280 WeakPolarHBondContact OE2-CA 3.49Å; E189-G280 PolarHBondContact OE2-N 3.26Å; G280-L284 WeakPolarHBondContact O-CB 3.45Å; G280-L284 PolarHBondContact O-N 3.4Å
281	R	84.8	Confident	87.8	Confident	45 Å²	45	33.7 Å²	33.7	17%	0.17	16%	0.162	C	C	.	.	H	α-helix	trans	-65.7	-41.6	-169.6	-162	170.1	-172.1	-169.5	-3.1	113.3	E189 L284 K285 I329 G331 W337	E189-R281 WeakPolarHBondContact OE1-CA 3.38Å; E189-R281 WeakPolarHBondContact OE1-CB 3.43Å; E189-R281 PolarHBondContact OE1-N 2.85Å; E189-R281 PolarHBondContact OE2-N 3.06Å; E189-R281 VanDerWaalsContact OE2-N 3.13Å; R281-L284 PolarHBondContact O-N 3.18Å; R281-K285 HydrophobicContact CG-CD 4.25Å; R281-K285 HydrophobicContact CG-CG 4.41Å; R281-K285 WeakPolarHBondContact O-CB 3.45Å; R281-K285 WeakPolarHBondContact O-CG 3.48Å; R281-K285 PolarHBondContact O-N 3.09Å; R281-I329 PolarHBondContact NE-O 3.4Å; R281-I329 PolarHBondContact NH2-O 3.1Å; R281-I329 VanDerWaalsContact NH2-O 3.1Å; R281-G331 PolarHBondContact NH2-O 3.15Å; R281-W337 HydrophobicContact CB-CD2 4.08Å; R281-W337 HydrophobicContact CB-CE3 3.49Å; R281-W337 VanDerWaalsContact CB-CE3 3.49Å; R281-W337 HydrophobicContact CB-CH2 3.88Å; R281-W337 HydrophobicContact CB-CZ2 4.42Å; R281-W337 HydrophobicContact CB-CZ3 3.37Å; R281-W337 HydrophobicContact CG-CD2 3.75Å; R281-W337 HydrophobicContact CG-CE3 3.7Å; R281-W337 HydrophobicContact CG-CG 4.5Å; R281-W337 HydrophobicContact CG-CH2 3.79Å; R281-W337 HydrophobicContact CG-CZ2 3.85Å; R281-W337 HydrophobicContact CG-CZ3 3.72Å
282	N	85.1	Confident	87.9	Confident	97 Å²	97	33.6 Å²	33.6	52%	0.519	15%	0.154	S	C	.	.	H	α-helix	trans	-70.6	-44.5	-169.9	-69	-32.2	0	0	0	112.5	E189 S286	E189-N282 PolarHBondContact OE1-N 3.46Å; E189-N282 PolarHBondContact OE1-ND2 2.88Å; E189-N282 PolarHBondContact OE2-N 2.94Å; N282-S286 PolarHBondContact O-N 3.36Å; N282-S286 PolarHBondContact O-OG 3.45Å; N282-S286 VanDerWaalsContact O-OG 3.05Å
283	L	87.1	Confident	87.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-43.8	172.6	-177.8	61.5	0	0	0	110.8	L232 Y250 D253 T275 F279 K285 S286 I287	L232-L283 HydrophobicContact CD2-CD1 3.95Å; L232-L283 HydrophobicContact CD2-CD2 4.33Å; Y250-L283 HydrophobicContact CE2-CD1 4.25Å; D253-L283 HydrophobicContact CB-CD1 4.14Å; T275-L283 HydrophobicContact CG2-CD2 4.34Å; F279-L283 HydrophobicContact CB-CB 4.06Å; F279-L283 HydrophobicContact CB-CD2 3.69Å; F279-L283 HydrophobicContact CB-CG 4.49Å; F279-L283 HydrophobicContact CD1-CB 4.13Å; F279-L283 HydrophobicContact CD1-CD2 3.65Å; F279-L283 HydrophobicContact CD1-CG 4.48Å; F279-L283 HydrophobicContact CD2-CD2 3.52Å; F279-L283 HydrophobicContact CE1-CD2 4.09Å; F279-L283 HydrophobicContact CE2-CD2 3.98Å; F279-L283 HydrophobicContact CG-CB 4.26Å; F279-L283 HydrophobicContact CG-CD2 3.34Å; F279-L283 HydrophobicContact CG-CG 4.42Å; F279-L283 HydrophobicContact CZ-CD2 4.24Å; L283-K285 PolarHBondContact O-N 3.12Å; L283-S286 WeakPolarHBondContact O-CB 3.49Å; L283-S286 PolarHBondContact O-N 2.88Å; L283-S286 VanDerWaalsContact O-N 3.08Å; L283-I287 HydrophobicContact CD1-CG2 3.95Å; L283-I287 HydrophobicContact CG-CD1 4.24Å; L283-I287 WeakPolarHBondContact O-CG1 3.05Å; L283-I287 PolarHBondContact O-N 3.41Å; L283-I287 VanDerWaalsContact O-N 3.13Å
284	L	87.9	Confident	87.7	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-45.4	-177.5	-164.4	62.9	0	0	0	111.3	I193 L227 G280 R281 S286 I287 F288 I329 W337	I193-L284 HydrophobicContact CD1-CB 4.28Å; I193-L284 HydrophobicContact CD1-CD1 4.38Å; I193-L284 HydrophobicContact CG1-CB 4.3Å; I193-L284 HydrophobicContact CG1-CD2 4.27Å; I193-L284 HydrophobicContact CG2-CD2 4.28Å; L227-L284 HydrophobicContact CD1-CD1 4.04Å; L227-L284 HydrophobicContact CD2-CD1 4.49Å; G280-L284 WeakPolarHBondContact O-CB 3.45Å; G280-L284 PolarHBondContact O-N 3.4Å; R281-L284 PolarHBondContact O-N 3.18Å; L284-S286 PolarHBondContact O-N 3.08Å; L284-I287 PolarHBondContact O-N 3.35Å; L284-F288 HydrophobicContact CD1-CB 4.34Å; L284-F288 HydrophobicContact CD1-CD2 4.13Å; L284-F288 HydrophobicContact CG-CB 4.35Å; L284-F288 HydrophobicContact CG-CD2 4.41Å; L284-F288 WeakPolarHBondContact O-CB 3.48Å; L284-F288 PolarHBondContact O-N 3.19Å; L284-I329 HydrophobicContact CD2-CD1 3.59Å; L284-I329 HydrophobicContact CD2-CG1 3.83Å; L284-I329 HydrophobicContact CG-CD1 3.82Å; L284-I329 HydrophobicContact CG-CG1 4.29Å; L284-W337 HydrophobicContact CD2-CH2 4.01Å
285	K	86.9	Confident	87.6	Confident	66 Å²	66	33.6 Å²	33.6	29%	0.287	16%	0.155	S	C	.	.	H	α-helix	trans	-52.8	-37	172.3	-81.5	-179.2	173.6	-179.2	0	112.9	R281 L283 I329 Y330	R281-K285 HydrophobicContact CG-CD 4.25Å; R281-K285 HydrophobicContact CG-CG 4.41Å; R281-K285 WeakPolarHBondContact O-CB 3.45Å; R281-K285 WeakPolarHBondContact O-CG 3.48Å; R281-K285 PolarHBondContact O-N 3.09Å; L283-K285 PolarHBondContact O-N 3.12Å; K285-I329 HydrophobicContact CB-CG2 4.38Å; K285-I329 WeakPolarHBondContact CE-O 3.32Å; K285-I329 HydrophobicContact CG-CG2 3.62Å; K285-Y330 HydrophobicContact CB-CE1 4.13Å; K285-Y330 HydrophobicContact CG-CD1 4.25Å; K285-Y330 HydrophobicContact CG-CE1 4.13Å; K285-Y330 PolarHBondContact O-OH 2.85Å
286	S	86.9	Confident	87.4	Confident	25 Å²	25	36.5 Å²	36.5	18%	0.175	17%	0.17	C	C	.	.	H	α-helix	trans	-74.1	-40	-177.6	-62.3	0	0	0	0	113.5	R241 N282 L283 L284	R241-S286 PolarHBondContact NH2-O 2.95Å; N282-S286 PolarHBondContact O-N 3.36Å; N282-S286 PolarHBondContact O-OG 3.45Å; N282-S286 VanDerWaalsContact O-OG 3.05Å; L283-S286 WeakPolarHBondContact O-CB 3.49Å; L283-S286 PolarHBondContact O-N 2.88Å; L283-S286 VanDerWaalsContact O-N 3.08Å; L284-S286 PolarHBondContact O-N 3.08Å
287	I	89.3	Confident	87.3	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-99.8	-26.9	-171.9	71.3	-179.9	0	0	0	114.1	L227 L232 Y250 L283 L284 T289 V290 T291	L227-I287 HydrophobicContact CD2-CD1 4.13Å; L232-I287 HydrophobicContact CD1-CD1 4.25Å; L232-I287 HydrophobicContact CD2-CG2 4.11Å; L232-I287 HydrophobicContact CG-CD1 4.38Å; L232-I287 HydrophobicContact CG-CG2 4.08Å; Y250-I287 HydrophobicContact CE2-CG2 3.76Å; L283-I287 HydrophobicContact CD1-CG2 3.95Å; L283-I287 HydrophobicContact CG-CD1 4.24Å; L283-I287 WeakPolarHBondContact O-CG1 3.05Å; L283-I287 PolarHBondContact O-N 3.41Å; L283-I287 VanDerWaalsContact O-N 3.13Å; L284-I287 PolarHBondContact O-N 3.35Å; I287-T289 PolarHBondContact O-N 2.87Å; I287-V290 PolarHBondContact O-N 3.28Å; I287-T291 PolarHBondContact O-N 3.37Å; I287-T291 PolarHBondContact O-OG1 3.43Å
288	F	88.9	Confident	87.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58	-43.3	-162.9	-179.2	-95.1	0	0	0	114.1	F223 L284 V290 T291 R292 L322 L325 E326 I329 Y330	F223-F288 HydrophobicContact CE1-CE2 4.44Å; F223-F288 HydrophobicContact CE2-CE2 4.06Å; F223-F288 AromaticContact CZ-CD2 3.86Å; F223-F288 HydrophobicContact CZ-CD2 3.86Å; F223-F288 AromaticContact CZ-CE2 3.6Å; F223-F288 HydrophobicContact CZ-CE2 3.6Å; L284-F288 HydrophobicContact CD1-CB 4.34Å; L284-F288 HydrophobicContact CD1-CD2 4.13Å; L284-F288 HydrophobicContact CG-CB 4.35Å; L284-F288 HydrophobicContact CG-CD2 4.41Å; L284-F288 WeakPolarHBondContact O-CB 3.48Å; L284-F288 PolarHBondContact O-N 3.19Å; F288-V290 VanDerWaalsContact C-N 3.27Å; F288-V290 PolarHBondContact O-N 3Å; F288-T291 PolarHBondContact O-N 3.1Å; F288-R292 HydrophobicContact CE1-CB 4.32Å; F288-R292 WeakPolarHBondContact O-CB 3.24Å; F288-R292 PolarHBondContact O-N 2.84Å; F288-L322 HydrophobicContact CE2-CD2 4.29Å; F288-L322 HydrophobicContact CZ-CD2 4.24Å; F288-L322 WeakPolarHBondContact CZ-O 3.43Å; F288-L325 HydrophobicContact CE2-CD2 3.6Å; F288-L325 HydrophobicContact CE2-CG 3.77Å; F288-L325 HydrophobicContact CZ-CB 4.23Å; F288-L325 HydrophobicContact CZ-CD2 4.09Å; F288-L325 HydrophobicContact CZ-CG 3.91Å; F288-E326 HydrophobicContact CD1-CB 4.45Å; F288-E326 HydrophobicContact CD1-CG 4.22Å; F288-E326 HydrophobicContact CE1-CB 3.65Å; F288-E326 HydrophobicContact CE1-CG 3.84Å; F288-E326 HydrophobicContact CZ-CB 4.42Å; F288-I329 HydrophobicContact CB-CD1 4.1Å; F288-I329 HydrophobicContact CD1-CD1 3.82Å; F288-I329 HydrophobicContact CD2-CD1 3.41Å; F288-I329 VanDerWaalsContact CD2-CD1 3.41Å; F288-I329 HydrophobicContact CE1-CD1 4.06Å; F288-I329 HydrophobicContact CE2-CD1 3.66Å; F288-I329 HydrophobicContact CG-CD1 3.49Å; F288-I329 VanDerWaalsContact CG-CD1 3.49Å; F288-I329 HydrophobicContact CZ-CD1 3.97Å; F288-Y330 HydrophobicContact CD1-CE2 4.36Å
289	T	86.8	Confident	86.8	Confident	49 Å²	49	42.2 Å²	42.2	30%	0.301	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-34.8	179	40.9	0	0	0	0	113.3	I287 R293 Y330	I287-T289 PolarHBondContact O-N 2.87Å; T289-R293 PolarHBondContact O-N 3.24Å; T289-Y330 HydrophobicContact CG2-CE2 4.02Å; T289-Y330 WeakPolarHBondContact CG2-OH 3.14Å
290	V	88.9	Confident	86.3	Confident	13 Å²	13	48.8 Å²	48.8	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-81.4	-46.2	176.5	172.1	0	0	0	0	110.9	E233 R241 I287 F288 R292 R293 Q294	E233-V290 HydrophobicContact CG-CG1 4.11Å; R241-V290 VanDerWaalsContact CZ-CG2 3.47Å; I287-V290 PolarHBondContact O-N 3.28Å; F288-V290 VanDerWaalsContact C-N 3.27Å; F288-V290 PolarHBondContact O-N 3Å; V290-R292 VanDerWaalsContact C-N 3.29Å; V290-R292 PolarHBondContact O-N 3.37Å; V290-R293 WeakPolarHBondContact O-CB 3.44Å; V290-R293 PolarHBondContact O-N 3.36Å; V290-R293 VanDerWaalsContact O-N 3.13Å; V290-Q294 VanDerWaalsContact CG1-CD 3.45Å; V290-Q294 HydrophobicContact CG1-CG 4.1Å; V290-Q294 WeakPolarHBondContact O-CG 3.39Å; V290-Q294 PolarHBondContact O-N 3.33Å
291	T	87.7	Confident	86.1	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-56.8	-43	175.8	-54.6	0	0	0	0	111.4	L227 W230 I287 F288 Q294 L295	L227-T291 HydrophobicContact CD2-CG2 3.92Å; W230-T291 HydrophobicContact CD2-CG2 4.18Å; W230-T291 HydrophobicContact CG-CG2 4.23Å; I287-T291 PolarHBondContact O-N 3.37Å; I287-T291 PolarHBondContact O-OG1 3.43Å; F288-T291 PolarHBondContact O-N 3.1Å; T291-Q294 PolarHBondContact O-N 3.48Å; T291-L295 HydrophobicContact CG2-CD1 3.81Å; T291-L295 HydrophobicContact CG2-CG 4.19Å; T291-L295 VanDerWaalsContact O-CB 3.28Å; T291-L295 WeakPolarHBondContact O-CB 3.41Å; T291-L295 VanDerWaalsContact O-CG 3.28Å; T291-L295 WeakPolarHBondContact O-CG 3.28Å; T291-L295 PolarHBondContact O-N 2.87Å
292	R	88.1	Confident	85.9	Confident	48 Å²	48	54.5 Å²	54.5	18%	0.181	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-48.3	174.6	176.4	169.5	-175.1	-129.8	13.5	112	F288 V290 L296 L322 S323 E326	F288-R292 HydrophobicContact CE1-CB 4.32Å; F288-R292 WeakPolarHBondContact O-CB 3.24Å; F288-R292 PolarHBondContact O-N 2.84Å; V290-R292 VanDerWaalsContact C-N 3.29Å; V290-R292 PolarHBondContact O-N 3.37Å; R292-L296 HydrophobicContact CG-CD1 4.22Å; R292-L296 WeakPolarHBondContact O-CB 3.48Å; R292-L296 VanDerWaalsContact O-CG 3.3Å; R292-L296 WeakPolarHBondContact O-CG 3.46Å; R292-L296 PolarHBondContact O-N 3.26Å; R292-L296 VanDerWaalsContact O-N 3.07Å; R292-L322 HydrophobicContact CG-CB 4.24Å; R292-L322 HydrophobicContact CG-CD1 4.17Å; R292-L322 PolarHBondContact NE-O 3.35Å; R292-S323 PolarHBondContact NH2-OG 3.37Å; R292-E326 IonicContact CZ-OE1 2.61Å; R292-E326 IonicContact CZ-OE2 3.18Å; R292-E326 IonicContact NE-OE1 2.63Å; R292-E326 IonicContact NH1-OE1 3.41Å; R292-E326 PolarHBondContact NH1-OE1 2.96Å; R292-E326 IonicContact NH1-OE2 2.64Å; R292-E326 PolarHBondContact NH1-OE2 3.46Å; R292-E326 IonicContact NH2-OE2 2.78Å
293	R	87.3	Confident	85.6	Confident	186 Å²	186	53 Å²	53	70%	0.702	24%	0.243	S	C	*	.	H	α-helix	trans	-61.1	-47.3	177.7	-173.2	-172.1	-60.5	-176.5	0.9	111.4	T289 V290 E297	T289-R293 PolarHBondContact O-N 3.24Å; V290-R293 WeakPolarHBondContact O-CB 3.44Å; V290-R293 PolarHBondContact O-N 3.36Å; V290-R293 VanDerWaalsContact O-N 3.13Å; R293-E297 PolarHBondContact O-N 3.41Å; R293-E297 VanDerWaalsContact O-N 3.1Å
294	Q	86.8	Confident	85.1	Confident	75 Å²	75	58.2 Å²	58.2	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-71.6	-35.3	-177.1	-65.7	171.4	-22.7	0	0	112.3	W230 V290 T291 E297 K298	W230-Q294 HydrophobicContact CH2-CB 3.8Å; W230-Q294 HydrophobicContact CZ2-CB 3.34Å; W230-Q294 HydrophobicContact CZ2-CG 4.2Å; V290-Q294 VanDerWaalsContact CG1-CD 3.45Å; V290-Q294 HydrophobicContact CG1-CG 4.1Å; V290-Q294 WeakPolarHBondContact O-CG 3.39Å; V290-Q294 PolarHBondContact O-N 3.33Å; T291-Q294 PolarHBondContact O-N 3.48Å; Q294-E297 PolarHBondContact O-N 2.66Å; Q294-K298 WeakPolarHBondContact O-CB 3.45Å; Q294-K298 PolarHBondContact O-N 2.82Å
295	L	85.8	Confident	84.8	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-49	173.1	-78.9	172.7	0	0	0	111.7	F223 C226 W230 T291 E297 K298 F299	F223-L295 HydrophobicContact CD2-CD1 3.86Å; F223-L295 HydrophobicContact CE2-CD1 3.88Å; C226-L295 HydrophobicContact CB-CD1 4.26Å; C226-L295 HydrophobicContact CB-CD2 3.71Å; W230-L295 HydrophobicContact CE3-CD2 3.97Å; W230-L295 HydrophobicContact CE3-CG 4.4Å; W230-L295 HydrophobicContact CH2-CD2 4.28Å; W230-L295 HydrophobicContact CH2-CG 4.46Å; W230-L295 HydrophobicContact CZ3-CD2 3.49Å; W230-L295 VanDerWaalsContact CZ3-CD2 3.49Å; W230-L295 HydrophobicContact CZ3-CG 4.01Å; T291-L295 HydrophobicContact CG2-CD1 3.81Å; T291-L295 HydrophobicContact CG2-CG 4.19Å; T291-L295 VanDerWaalsContact O-CB 3.28Å; T291-L295 WeakPolarHBondContact O-CB 3.41Å; T291-L295 VanDerWaalsContact O-CG 3.28Å; T291-L295 WeakPolarHBondContact O-CG 3.28Å; T291-L295 PolarHBondContact O-N 2.87Å; L295-E297 VanDerWaalsContact C-N 3.26Å; L295-E297 PolarHBondContact O-N 3.33Å; L295-K298 PolarHBondContact O-N 2.86Å; L295-K298 VanDerWaalsContact O-N 3.16Å; L295-F299 HydrophobicContact CB-CD2 4.44Å; L295-F299 HydrophobicContact CB-CE2 4.42Å; L295-F299 HydrophobicContact CD2-CE2 4.12Å; L295-F299 WeakPolarHBondContact O-CD2 2.84Å; L295-F299 PolarHBondContact O-N 3.36Å
296	L	85.8	Confident	84.2	Confident	64 Å²	64	66 Å²	66	34%	0.335	31%	0.307	S	S	.	.	H	α-helix	trans	-60.2	-37.3	177.6	-70.1	172.5	0	0	0	111.8	R292 R300 P319 L322	R292-L296 HydrophobicContact CG-CD1 4.22Å; R292-L296 WeakPolarHBondContact O-CB 3.48Å; R292-L296 VanDerWaalsContact O-CG 3.3Å; R292-L296 WeakPolarHBondContact O-CG 3.46Å; R292-L296 PolarHBondContact O-N 3.26Å; R292-L296 VanDerWaalsContact O-N 3.07Å; L296-R300 VanDerWaalsContact O-CB 3.32Å; L296-R300 WeakPolarHBondContact O-CB 3.43Å; L296-R300 PolarHBondContact O-N 3.02Å; L296-P319 HydrophobicContact CD2-CB 4.43Å; L296-P319 HydrophobicContact CD2-CG 4.11Å; L296-L322 HydrophobicContact CD2-CD1 4.19Å; L296-L322 HydrophobicContact CG-CD1 4.25Å
297	E	85.8	Confident	83.9	Confident	81 Å²	81	70.3 Å²	70.3	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-68.1	-44.3	173	-177.1	57	-152.1	0	0	112.3	R293 Q294 L295 F299 R300 V301	R293-E297 PolarHBondContact O-N 3.41Å; R293-E297 VanDerWaalsContact O-N 3.1Å; Q294-E297 PolarHBondContact O-N 2.66Å; L295-E297 VanDerWaalsContact C-N 3.26Å; L295-E297 PolarHBondContact O-N 3.33Å; E297-F299 PolarHBondContact O-N 2.82Å; E297-R300 WeakPolarHBondContact O-CB 3.13Å; E297-R300 PolarHBondContact O-N 3.49Å; E297-R300 VanDerWaalsContact O-N 3.11Å; E297-R300 IonicContact OE1-CZ 3.59Å; E297-R300 IonicContact OE1-NE 3.27Å; E297-R300 PolarHBondContact OE1-NE 2.92Å; E297-R300 IonicContact OE1-NH2 3.14Å; E297-R300 PolarHBondContact OE1-NH2 3.03Å; E297-R300 IonicContact OE2-CZ 2.7Å; E297-R300 IonicContact OE2-NE 3.7Å; E297-R300 PolarHBondContact OE2-NE 3.22Å; E297-R300 IonicContact OE2-NH2 3.81Å; E297-R300 PolarHBondContact OE2-NH2 3.13Å; E297-V301 WeakPolarHBondContact O-CG2 3.32Å; E297-V301 PolarHBondContact O-N 2.87Å
298	K	83.3	Confident	83.2	Confident	98 Å²	98	74.7 Å²	74.7	43%	0.426	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-47.2	176.9	-174.9	177.4	176.5	-178.9	0	111.4	W230 Q294 L295 R300 V301 E302	W230-K298 HydrophobicContact CZ3-CD 4.44Å; Q294-K298 WeakPolarHBondContact O-CB 3.45Å; Q294-K298 PolarHBondContact O-N 2.82Å; L295-K298 PolarHBondContact O-N 2.86Å; L295-K298 VanDerWaalsContact O-N 3.16Å; K298-R300 VanDerWaalsContact C-N 3.28Å; K298-R300 PolarHBondContact O-N 2.74Å; K298-V301 PolarHBondContact O-N 3.02Å; K298-V301 VanDerWaalsContact O-N 3.15Å; K298-E302 VanDerWaalsContact CE-CD 3.49Å; K298-E302 WeakPolarHBondContact CE-OE1 3.44Å; K298-E302 WeakPolarHBondContact CE-OE2 3.49Å; K298-E302 HydrophobicContact CG-CG 4.43Å; K298-E302 WeakPolarHBondContact O-CB 3.5Å; K298-E302 PolarHBondContact O-N 2.84Å
299	F	82.4	Confident	82.5	Confident	28 Å²	28	82.3 Å²	82.3	12%	0.123	39%	0.393	C	S	.	.	H	α-helix	trans	-62.5	-34.1	174.3	-75.3	-63.2	0	0	0	112.2	M222 L295 E297 V301 K303 L306 I314 F318	M222-F299 HydrophobicContact CE-CE1 4.16Å; M222-F299 HydrophobicContact CE-CE2 3.92Å; M222-F299 HydrophobicContact CE-CZ 3.48Å; M222-F299 VanDerWaalsContact CE-CZ 3.48Å; M222-F299 HydrophobicContact CG-CZ 4.32Å; M222-F299 HydrophobicContact SD-CE1 3.89Å; M222-F299 HydrophobicContact SD-CZ 3.57Å; M222-F299 VanDerWaalsContact SD-CZ 3.57Å; L295-F299 HydrophobicContact CB-CD2 4.44Å; L295-F299 HydrophobicContact CB-CE2 4.42Å; L295-F299 HydrophobicContact CD2-CE2 4.12Å; L295-F299 WeakPolarHBondContact O-CD2 2.84Å; L295-F299 PolarHBondContact O-N 3.36Å; E297-F299 PolarHBondContact O-N 2.82Å; F299-V301 VanDerWaalsContact C-N 3.33Å; F299-V301 PolarHBondContact O-N 3.4Å; F299-K303 WeakPolarHBondContact O-CA 3.14Å; F299-K303 VanDerWaalsContact O-CB 3.31Å; F299-K303 WeakPolarHBondContact O-CB 3.36Å; F299-K303 PolarHBondContact O-N 2.53Å; F299-L306 HydrophobicContact CD1-CD1 4.26Å; F299-I314 HydrophobicContact CB-CG2 4.37Å; F299-I314 HydrophobicContact CD1-CD1 4.41Å; F299-I314 HydrophobicContact CD1-CG2 3.93Å; F299-I314 HydrophobicContact CD2-CG2 4.47Å; F299-I314 HydrophobicContact CE1-CD1 4.13Å; F299-I314 HydrophobicContact CE1-CG2 4.37Å; F299-I314 HydrophobicContact CG-CG2 4Å; F299-F318 HydrophobicContact CD2-CD1 4.05Å; F299-F318 AromaticContact CD2-CE1 3.67Å; F299-F318 HydrophobicContact CD2-CE1 3.67Å; F299-F318 HydrophobicContact CE2-CD1 4.07Å; F299-F318 AromaticContact CE2-CE1 3.38Å; F299-F318 HydrophobicContact CE2-CE1 3.38Å; F299-F318 AromaticContact CE2-CZ 3.97Å; F299-F318 HydrophobicContact CE2-CZ 3.97Å; F299-F318 HydrophobicContact CZ-CE1 4.36Å
300	R	79	Confident	81.9	Confident	139 Å²	139	85.7 Å²	85.7	53%	0.525	40%	0.403	S	S	.	.	H	α-helix	trans	-64.3	-35.7	174.2	-171.9	178.7	73.9	115.4	-3	112.9	L296 E297 K298 K303	L296-R300 VanDerWaalsContact O-CB 3.32Å; L296-R300 WeakPolarHBondContact O-CB 3.43Å; L296-R300 PolarHBondContact O-N 3.02Å; E297-R300 WeakPolarHBondContact O-CB 3.13Å; E297-R300 PolarHBondContact O-N 3.49Å; E297-R300 VanDerWaalsContact O-N 3.11Å; E297-R300 IonicContact OE1-CZ 3.59Å; E297-R300 IonicContact OE1-NE 3.27Å; E297-R300 PolarHBondContact OE1-NE 2.92Å; E297-R300 IonicContact OE1-NH2 3.14Å; E297-R300 PolarHBondContact OE1-NH2 3.03Å; E297-R300 IonicContact OE2-CZ 2.7Å; E297-R300 IonicContact OE2-NE 3.7Å; E297-R300 PolarHBondContact OE2-NE 3.22Å; E297-R300 IonicContact OE2-NH2 3.81Å; E297-R300 PolarHBondContact OE2-NH2 3.13Å; K298-R300 VanDerWaalsContact C-N 3.28Å; K298-R300 PolarHBondContact O-N 2.74Å; R300-K303 WeakPolarHBondContact O-CD 3.35Å; R300-K303 WeakPolarHBondContact O-CG 3.48Å
301	V	84.3	Confident	81.5	Confident	98 Å²	98	88.4 Å²	88.4	59%	0.594	41%	0.412	S	S	*	.	H	α-helix	trans	-79.5	-39.1	177.4	173.9	0	0	0	0	111.9	E297 K298 F299	E297-V301 WeakPolarHBondContact O-CG2 3.32Å; E297-V301 PolarHBondContact O-N 2.87Å; K298-V301 PolarHBondContact O-N 3.02Å; K298-V301 VanDerWaalsContact O-N 3.15Å; F299-V301 VanDerWaalsContact C-N 3.33Å; F299-V301 PolarHBondContact O-N 3.4Å
302	E	81.1	Confident	81	Confident	67 Å²	67	92.4 Å²	92.4	31%	0.313	44%	0.436	S	S	.	.	H	α-helix	trans	-92.8	-3.8	-174.7	-65.7	-177.5	164.3	0	0	114.3	K298 D304 K305	K298-E302 VanDerWaalsContact CE-CD 3.49Å; K298-E302 WeakPolarHBondContact CE-OE1 3.44Å; K298-E302 WeakPolarHBondContact CE-OE2 3.49Å; K298-E302 HydrophobicContact CG-CG 4.43Å; K298-E302 WeakPolarHBondContact O-CB 3.5Å; K298-E302 PolarHBondContact O-N 2.84Å; E302-D304 PolarHBondContact O-N 3.3Å; E302-K305 WeakPolarHBondContact O-CB 3.3Å; E302-K305 PolarHBondContact O-N 3.01Å
303	K	78.6	Confident	80.3	Confident	65 Å²	65	92.3 Å²	92.3	28%	0.283	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-30.6	-178.9	68.6	-179.7	-173.7	171.6	0	115.3	F299 R300 K305 R311	F299-K303 WeakPolarHBondContact O-CA 3.14Å; F299-K303 VanDerWaalsContact O-CB 3.31Å; F299-K303 WeakPolarHBondContact O-CB 3.36Å; F299-K303 PolarHBondContact O-N 2.53Å; R300-K303 WeakPolarHBondContact O-CD 3.35Å; R300-K303 WeakPolarHBondContact O-CG 3.48Å; K303-K305 VanDerWaalsContact C-N 3.33Å; K303-R311 PolarHBondContact O-NH1 3.24Å
304	D	76.2	Confident	79.9	Confident	109 Å²	109	84.2 Å²	84.2	58%	0.583	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.1	-175.9	-58.5	-54.7	0	0	0	112.4	E302 R311	E302-D304 PolarHBondContact O-N 3.3Å; D304-R311 IonicContact OD1-CZ 2.76Å; D304-R311 VanDerWaalsContact OD1-CZ 3.26Å; D304-R311 IonicContact OD1-NH1 3.34Å; D304-R311 PolarHBondContact OD1-NH1 3.1Å; D304-R311 IonicContact OD1-NH2 3.22Å; D304-R311 PolarHBondContact OD1-NH2 3.46Å
305	K	80.6	Confident	79.4	Confident	171 Å²	171	85.1 Å²	85.1	74%	0.743	42%	0.417	S	S	*	.	S	Bend	trans	-97.7	-9.3	170.8	-57.4	178.1	-177.7	174.1	0	113.4	E302 K303	E302-K305 WeakPolarHBondContact O-CB 3.3Å; E302-K305 PolarHBondContact O-N 3.01Å; K303-K305 VanDerWaalsContact C-N 3.33Å
306	L	75.9	Confident	79.2	Confident	59 Å²	59	88.4 Å²	88.4	31%	0.309	44%	0.436	S	S	.	.	S	Bend	trans	-91.7	147	-177.7	-64.1	173.7	0	0	0	110.9	F299 R311 I314	F299-L306 HydrophobicContact CD1-CD1 4.26Å; L306-R311 HydrophobicContact CB-CB 4.31Å; L306-I314 HydrophobicContact CD1-CD1 3.98Å
307	L	79.3	Confident	78.9	Confident	116 Å²	116	88 Å²	88	61%	0.607	43%	0.433	S	S	*	.			trans	-58.7	144.9	173.2	-76.7	83.9	0	0	0	110.6	E309 K310 R311	L307-E309 VanDerWaalsContact C-N 3.31Å; L307-E309 PolarHBondContact O-N 3.2Å; L307-K310 PolarHBondContact O-N 3.03Å; L307-R311 WeakPolarHBondContact O-CB 3.41Å; L307-R311 PolarHBondContact O-N 3.19Å
308	P	74.6	Confident	78.8	Confident	98 Å²	98	84.2 Å²	84.2	64%	0.636	42%	0.415	S	S	*	.	H	α-helix	trans	-53.9	-41.8	-173.6	-28.5	35.6	0	0	0	114.5	R311 T312	P308-R311 WeakPolarHBondContact O-CB 3.24Å; P308-R311 PolarHBondContact O-N 3.36Å; P308-T312 PolarHBondContact O-N 3.27Å; P308-T312 PolarHBondContact O-OG1 3.47Å; P308-T312 VanDerWaalsContact O-OG1 3.13Å
309	E	74.1	Confident	79	Confident	160 Å²	160	81.8 Å²	81.8	75%	0.748	41%	0.409	S	S	*	.	H	α-helix	trans	-62.1	-51.9	179.2	-63.5	169.1	179.5	0	0	111.5	L307 R311 T312 L313	L307-E309 VanDerWaalsContact C-N 3.31Å; L307-E309 PolarHBondContact O-N 3.2Å; E309-R311 VanDerWaalsContact C-N 3.32Å; E309-R311 PolarHBondContact O-N 2.82Å; E309-T312 PolarHBondContact O-N 2.87Å; E309-L313 VanDerWaalsContact O-CB 3.32Å; E309-L313 WeakPolarHBondContact O-CB 3.48Å; E309-L313 PolarHBondContact O-N 3.33Å
310	K	75.7	Confident	79.1	Confident	120 Å²	120	86.8 Å²	86.8	52%	0.522	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-36.6	177.6	-67.7	-169.2	174.3	-171.2	0	112	L307 L313 I314	L307-K310 PolarHBondContact O-N 3.03Å; K310-L313 PolarHBondContact O-N 3.01Å; K310-I314 WeakPolarHBondContact O-CB 3.4Å; K310-I314 WeakPolarHBondContact O-CD1 3.25Å; K310-I314 WeakPolarHBondContact O-CG1 3.4Å; K310-I314 PolarHBondContact O-N 3.25Å
311	R	79.1	Confident	79.4	Confident	70 Å²	70	80.2 Å²	80.2	26%	0.264	41%	0.406	S	S	.	.	H	α-helix	trans	-60.8	-49	174.8	175	-165.3	-179.4	123.3	-7.1	111.6	K303 D304 L306 L307 P308 E309 L315	K303-R311 PolarHBondContact O-NH1 3.24Å; D304-R311 IonicContact OD1-CZ 2.76Å; D304-R311 VanDerWaalsContact OD1-CZ 3.26Å; D304-R311 IonicContact OD1-NH1 3.34Å; D304-R311 PolarHBondContact OD1-NH1 3.1Å; D304-R311 IonicContact OD1-NH2 3.22Å; D304-R311 PolarHBondContact OD1-NH2 3.46Å; L306-R311 HydrophobicContact CB-CB 4.31Å; L307-R311 WeakPolarHBondContact O-CB 3.41Å; L307-R311 PolarHBondContact O-N 3.19Å; P308-R311 WeakPolarHBondContact O-CB 3.24Å; P308-R311 PolarHBondContact O-N 3.36Å; E309-R311 VanDerWaalsContact C-N 3.32Å; E309-R311 PolarHBondContact O-N 2.82Å; R311-L315 HydrophobicContact CG-CD1 3.94Å; R311-L315 WeakPolarHBondContact O-CB 3.47Å; R311-L315 WeakPolarHBondContact O-CG 3.36Å; R311-L315 PolarHBondContact O-N 3.45Å
312	T	77.1	Confident	79.6	Confident	87 Å²	87	75.5 Å²	75.5	53%	0.534	38%	0.378	S	S	.	.	H	α-helix	trans	-62.7	-45.8	178.9	-62.3	0	0	0	0	110.8	P308 E309 L315 T316	P308-T312 PolarHBondContact O-N 3.27Å; P308-T312 PolarHBondContact O-OG1 3.47Å; P308-T312 VanDerWaalsContact O-OG1 3.13Å; E309-T312 PolarHBondContact O-N 2.87Å; T312-L315 PolarHBondContact O-N 3.13Å; T312-T316 WeakPolarHBondContact O-CB 3.43Å; T312-T316 WeakPolarHBondContact O-CG2 3.33Å; T312-T316 PolarHBondContact O-N 3.48Å; T312-T316 PolarHBondContact O-OG1 3.05Å
313	L	74.3	Confident	79.9	Confident	46 Å²	46	74.3 Å²	74.3	24%	0.241	38%	0.377	C	S	.	.	H	α-helix	trans	-60.9	-47.1	179.3	-175.3	141.2	0	0	0	112	T215 L219 E309 K310 T316 H317	T215-L313 HydrophobicContact CG2-CD1 3.5Å; T215-L313 VanDerWaalsContact CG2-CD1 3.5Å; T215-L313 HydrophobicContact CG2-CD2 3.98Å; T215-L313 HydrophobicContact CG2-CG 3.65Å; L219-L313 HydrophobicContact CD1-CD2 4.15Å; L219-L313 HydrophobicContact CD2-CD2 3.82Å; L219-L313 HydrophobicContact CG-CD2 3.93Å; E309-L313 VanDerWaalsContact O-CB 3.32Å; E309-L313 WeakPolarHBondContact O-CB 3.48Å; E309-L313 PolarHBondContact O-N 3.33Å; K310-L313 PolarHBondContact O-N 3.01Å; L313-T316 PolarHBondContact O-N 2.92Å; L313-T316 PolarHBondContact O-OG1 2.82Å; L313-H317 WeakPolarHBondContact O-CB 3.26Å; L313-H317 PolarHBondContact O-N 3.39Å
314	I	79.1	Confident	80.1	Confident	16 Å²	16	73.7 Å²	73.7	8%	0.082	38%	0.375	C	S	.	.	H	α-helix	trans	-64.2	-45.2	174.7	-68.6	164.3	0	0	0	111.3	L219 M222 F299 L306 K310 T316 F318 P319	L219-I314 HydrophobicContact CD2-CG1 3.94Å; M222-I314 HydrophobicContact CE-CD1 4.36Å; M222-I314 HydrophobicContact CE-CG1 4.17Å; M222-I314 HydrophobicContact SD-CD1 3.8Å; M222-I314 HydrophobicContact SD-CG1 4.18Å; F299-I314 HydrophobicContact CB-CG2 4.37Å; F299-I314 HydrophobicContact CD1-CD1 4.41Å; F299-I314 HydrophobicContact CD1-CG2 3.93Å; F299-I314 HydrophobicContact CD2-CG2 4.47Å; F299-I314 HydrophobicContact CE1-CD1 4.13Å; F299-I314 HydrophobicContact CE1-CG2 4.37Å; F299-I314 HydrophobicContact CG-CG2 4Å; L306-I314 HydrophobicContact CD1-CD1 3.98Å; K310-I314 WeakPolarHBondContact O-CB 3.4Å; K310-I314 WeakPolarHBondContact O-CD1 3.25Å; K310-I314 WeakPolarHBondContact O-CG1 3.4Å; K310-I314 PolarHBondContact O-N 3.25Å; I314-T316 VanDerWaalsContact C-N 3.29Å; I314-T316 PolarHBondContact O-N 3.1Å; I314-F318 HydrophobicContact CG2-CB 4.13Å; I314-F318 HydrophobicContact CG2-CD1 4.31Å; I314-F318 HydrophobicContact CG2-CG 4.47Å; I314-F318 WeakPolarHBondContact O-CB 3.41Å; I314-F318 PolarHBondContact O-N 2.91Å; I314-P319 VanDerWaalsContact O-CD 3.32Å; I314-P319 WeakPolarHBondContact O-CD 3.35Å
315	L	76.5	Confident	80.6	Confident	95 Å²	95	68.5 Å²	68.5	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-66.8	-27.6	-177.9	-75.5	170.9	0	0	0	114	R311 T312	R311-L315 HydrophobicContact CG-CD1 3.94Å; R311-L315 WeakPolarHBondContact O-CB 3.47Å; R311-L315 WeakPolarHBondContact O-CG 3.36Å; R311-L315 PolarHBondContact O-N 3.45Å; T312-L315 PolarHBondContact O-N 3.13Å
316	T	79.8	Confident	80.9	Confident	69 Å²	69	62.7 Å²	62.7	42%	0.423	32%	0.323	S	S	.	.	H	α-helix	trans	-98.7	-40.5	-173.6	50.7	0	0	0	0	113.8	T312 L313 I314	T312-T316 WeakPolarHBondContact O-CB 3.43Å; T312-T316 WeakPolarHBondContact O-CG2 3.33Å; T312-T316 PolarHBondContact O-N 3.48Å; T312-T316 PolarHBondContact O-OG1 3.05Å; L313-T316 PolarHBondContact O-N 2.92Å; L313-T316 PolarHBondContact O-OG1 2.82Å; I314-T316 VanDerWaalsContact C-N 3.29Å; I314-T316 PolarHBondContact O-N 3.1Å
317	H	80.2	Confident	81.4	Confident	57 Å²	57	65.8 Å²	65.8	26%	0.264	34%	0.336	S	S	.	.	H	α-helix	trans	-101.5	-34.5	-173.1	-62.9	78.9	0	0	0	112.7	M216 L219 L313 K320 F321	M216-H317 HydrophobicContact CE-CB 4.13Å; L219-H317 HydrophobicContact CD1-CB 3.68Å; L313-H317 WeakPolarHBondContact O-CB 3.26Å; L313-H317 PolarHBondContact O-N 3.39Å; H317-K320 WeakPolarHBondContact O-CB 3.42Å; H317-K320 PolarHBondContact O-N 3.4Å; H317-F321 PolarHBondContact O-N 2.94Å
318	F	84.4	Confident	81.6	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-40.3	-175.1	-165.2	-123.4	0	0	0	114.4	L219 M222 F223 F299 I314 K320 F321 L322	L219-F318 HydrophobicContact CB-CD2 4.28Å; L219-F318 HydrophobicContact CD1-CB 4.49Å; L219-F318 HydrophobicContact CD2-CB 4.15Å; L219-F318 HydrophobicContact CD2-CD2 3.89Å; L219-F318 HydrophobicContact CD2-CG 4.32Å; M222-F318 HydrophobicContact CE-CD1 4.14Å; M222-F318 HydrophobicContact CE-CD2 3.65Å; M222-F318 HydrophobicContact CE-CE1 3.94Å; M222-F318 HydrophobicContact CE-CE2 3.42Å; M222-F318 VanDerWaalsContact CE-CE2 3.42Å; M222-F318 HydrophobicContact CE-CG 4Å; M222-F318 HydrophobicContact CE-CZ 3.57Å; F223-F318 HydrophobicContact CB-CE2 4.2Å; F223-F318 HydrophobicContact CD2-CZ 4.3Å; F299-F318 HydrophobicContact CD2-CD1 4.05Å; F299-F318 AromaticContact CD2-CE1 3.67Å; F299-F318 HydrophobicContact CD2-CE1 3.67Å; F299-F318 HydrophobicContact CE2-CD1 4.07Å; F299-F318 AromaticContact CE2-CE1 3.38Å; F299-F318 HydrophobicContact CE2-CE1 3.38Å; F299-F318 AromaticContact CE2-CZ 3.97Å; F299-F318 HydrophobicContact CE2-CZ 3.97Å; F299-F318 HydrophobicContact CZ-CE1 4.36Å; I314-F318 HydrophobicContact CG2-CB 4.13Å; I314-F318 HydrophobicContact CG2-CD1 4.31Å; I314-F318 HydrophobicContact CG2-CG 4.47Å; I314-F318 WeakPolarHBondContact O-CB 3.41Å; I314-F318 PolarHBondContact O-N 2.91Å; F318-K320 VanDerWaalsContact C-N 3.29Å; F318-K320 PolarHBondContact O-N 3.11Å; F318-F321 HydrophobicContact CD2-CD1 4.21Å; F318-F321 HydrophobicContact CE2-CD1 4.22Å; F318-F321 PolarHBondContact O-N 3.32Å; F318-L322 HydrophobicContact CD1-CD1 3.85Å; F318-L322 HydrophobicContact CD1-CG 4.46Å; F318-L322 HydrophobicContact CD2-CG 4.46Å; F318-L322 HydrophobicContact CE1-CD1 3.54Å; F318-L322 HydrophobicContact CE1-CG 4.25Å; F318-L322 HydrophobicContact CE2-CD1 4.42Å; F318-L322 HydrophobicContact CE2-CD2 4.31Å; F318-L322 HydrophobicContact CE2-CG 4.26Å; F318-L322 HydrophobicContact CG-CD1 4.42Å; F318-L322 HydrophobicContact CZ-CD1 3.86Å; F318-L322 HydrophobicContact CZ-CD2 4.17Å; F318-L322 HydrophobicContact CZ-CG 4.15Å; F318-L322 WeakPolarHBondContact O-CG 3.28Å; F318-L322 PolarHBondContact O-N 2.87Å
319	P	87	Confident	82.1	Confident	46 Å²	46	56.6 Å²	56.6	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-35.9	174.4	-23.1	34.1	0	0	0	112.7	L296 I314 S323	L296-P319 HydrophobicContact CD2-CB 4.43Å; L296-P319 HydrophobicContact CD2-CG 4.11Å; I314-P319 VanDerWaalsContact O-CD 3.32Å; I314-P319 WeakPolarHBondContact O-CD 3.35Å; P319-S323 PolarHBondContact O-N 3.46Å; P319-S323 PolarHBondContact O-OG 2.85Å; P319-S323 VanDerWaalsContact O-OG 3.09Å
320	K	84	Confident	82.6	Confident	134 Å²	134	53 Å²	53	58%	0.583	26%	0.262	S	S	*	.	H	α-helix	trans	-68	-47.1	175.9	-64.5	-177.5	177.5	-178.2	0	111	H317 F318 L322 S323 M324	H317-K320 WeakPolarHBondContact O-CB 3.42Å; H317-K320 PolarHBondContact O-N 3.4Å; F318-K320 VanDerWaalsContact C-N 3.29Å; F318-K320 PolarHBondContact O-N 3.11Å; K320-L322 VanDerWaalsContact C-N 3.32Å; K320-L322 PolarHBondContact O-N 3.33Å; K320-S323 WeakPolarHBondContact O-CB 3.46Å; K320-S323 PolarHBondContact O-N 3.04Å; K320-S323 VanDerWaalsContact O-N 3.09Å; K320-M324 HydrophobicContact CB-CE 4.08Å; K320-M324 WeakPolarHBondContact O-CE 3.2Å; K320-M324 PolarHBondContact O-N 3.44Å
321	F	86.4	Confident	82.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-53.6	-47.9	173.7	175.4	-95.4	0	0	0	111.5	L200 L201 F205 M216 F223 H317 F318 S323 M324 L325	L200-F321 HydrophobicContact CD2-CE2 4.46Å; L201-F321 HydrophobicContact CD2-CE2 4.39Å; F205-F321 HydrophobicContact CE2-CD2 4.41Å; F205-F321 HydrophobicContact CZ-CD2 4.12Å; M216-F321 HydrophobicContact SD-CB 4.49Å; M216-F321 HydrophobicContact SD-CD2 4.4Å; F223-F321 HydrophobicContact CB-CE1 4.17Å; F223-F321 HydrophobicContact CG-CE1 4.32Å; H317-F321 PolarHBondContact O-N 2.94Å; F318-F321 HydrophobicContact CD2-CD1 4.21Å; F318-F321 HydrophobicContact CE2-CD1 4.22Å; F318-F321 PolarHBondContact O-N 3.32Å; F321-S323 VanDerWaalsContact C-N 3.32Å; F321-S323 PolarHBondContact O-N 2.74Å; F321-M324 PolarHBondContact O-N 3.32Å; F321-L325 HydrophobicContact CE1-CD2 4.1Å; F321-L325 HydrophobicContact CZ-CD2 4.41Å; F321-L325 WeakPolarHBondContact O-CB 3.47Å; F321-L325 PolarHBondContact O-N 3.26Å
322	L	87.4	Confident	82.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.1	-23.7	177.9	-66.9	177.3	0	0	0	114	F223 F288 R292 L296 F318 K320 E326	F223-L322 HydrophobicContact CD2-CD2 3.67Å; F223-L322 HydrophobicContact CE2-CD2 3.68Å; F223-L322 HydrophobicContact CG-CD2 4.47Å; F223-L322 HydrophobicContact CZ-CD2 4.49Å; F288-L322 HydrophobicContact CE2-CD2 4.29Å; F288-L322 HydrophobicContact CZ-CD2 4.24Å; F288-L322 WeakPolarHBondContact CZ-O 3.43Å; R292-L322 HydrophobicContact CG-CB 4.24Å; R292-L322 HydrophobicContact CG-CD1 4.17Å; R292-L322 PolarHBondContact NE-O 3.35Å; L296-L322 HydrophobicContact CD2-CD1 4.19Å; L296-L322 HydrophobicContact CG-CD1 4.25Å; F318-L322 HydrophobicContact CD1-CD1 3.85Å; F318-L322 HydrophobicContact CD1-CG 4.46Å; F318-L322 HydrophobicContact CD2-CG 4.46Å; F318-L322 HydrophobicContact CE1-CD1 3.54Å; F318-L322 HydrophobicContact CE1-CG 4.25Å; F318-L322 HydrophobicContact CE2-CD1 4.42Å; F318-L322 HydrophobicContact CE2-CD2 4.31Å; F318-L322 HydrophobicContact CE2-CG 4.26Å; F318-L322 HydrophobicContact CG-CD1 4.42Å; F318-L322 HydrophobicContact CZ-CD1 3.86Å; F318-L322 HydrophobicContact CZ-CD2 4.17Å; F318-L322 HydrophobicContact CZ-CG 4.15Å; F318-L322 WeakPolarHBondContact O-CG 3.28Å; F318-L322 PolarHBondContact O-N 2.87Å; K320-L322 VanDerWaalsContact C-N 3.32Å; K320-L322 PolarHBondContact O-N 3.33Å; L322-E326 WeakPolarHBondContact O-CB 3.31Å; L322-E326 PolarHBondContact O-N 2.92Å
323	S	87	Confident	81.4	Confident	42 Å²	42	57.3 Å²	57.3	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-73.3	-49	170.1	-61.3	0	0	0	0	111.7	R292 P319 K320 F321 L325 E326 E327	R292-S323 PolarHBondContact NH2-OG 3.37Å; P319-S323 PolarHBondContact O-N 3.46Å; P319-S323 PolarHBondContact O-OG 2.85Å; P319-S323 VanDerWaalsContact O-OG 3.09Å; K320-S323 WeakPolarHBondContact O-CB 3.46Å; K320-S323 PolarHBondContact O-N 3.04Å; K320-S323 VanDerWaalsContact O-N 3.09Å; F321-S323 VanDerWaalsContact C-N 3.32Å; F321-S323 PolarHBondContact O-N 2.74Å; S323-L325 VanDerWaalsContact C-N 3.29Å; S323-L325 PolarHBondContact O-N 3.39Å; S323-E326 WeakPolarHBondContact O-CA 3.5Å; S323-E326 VanDerWaalsContact O-CB 3.24Å; S323-E326 WeakPolarHBondContact O-CB 3.09Å; S323-E326 PolarHBondContact O-N 3.19Å; S323-E327 PolarHBondContact O-N 3.12Å; S323-E327 VanDerWaalsContact O-N 3.1Å
324	M	84.1	Confident	81.2	Confident	51 Å²	51	55.5 Å²	55.5	25%	0.251	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-37.9	179.4	-71.4	177.3	-79.3	0	0	111.7	F205 K320 F321 E326 E327 E328	F205-M324 HydrophobicContact CE1-CE 3.69Å; F205-M324 HydrophobicContact CE1-SD 4.2Å; F205-M324 HydrophobicContact CZ-CE 3.62Å; F205-M324 HydrophobicContact CZ-SD 3.99Å; K320-M324 HydrophobicContact CB-CE 4.08Å; K320-M324 WeakPolarHBondContact O-CE 3.2Å; K320-M324 PolarHBondContact O-N 3.44Å; F321-M324 PolarHBondContact O-N 3.32Å; M324-E326 VanDerWaalsContact C-N 3.33Å; M324-E327 PolarHBondContact O-N 2.83Å; M324-E328 WeakPolarHBondContact O-CG 3.06Å; M324-E328 PolarHBondContact O-N 3.38Å
325	L	86.1	Confident	80.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-32.9	172.7	177.2	57.6	0	0	0	112.3	I197 L200 F223 F288 F321 S323 I329	I197-L325 HydrophobicContact CG1-CD1 4.45Å; L200-L325 HydrophobicContact CD2-CB 3.89Å; L200-L325 HydrophobicContact CD2-CD1 3.71Å; L200-L325 HydrophobicContact CD2-CG 4.3Å; F223-L325 HydrophobicContact CD1-CD2 4.02Å; F223-L325 HydrophobicContact CE1-CD2 3.58Å; F223-L325 HydrophobicContact CZ-CD2 3.94Å; F288-L325 HydrophobicContact CE2-CD2 3.6Å; F288-L325 HydrophobicContact CE2-CG 3.77Å; F288-L325 HydrophobicContact CZ-CB 4.23Å; F288-L325 HydrophobicContact CZ-CD2 4.09Å; F288-L325 HydrophobicContact CZ-CG 3.91Å; F321-L325 HydrophobicContact CE1-CD2 4.1Å; F321-L325 HydrophobicContact CZ-CD2 4.41Å; F321-L325 WeakPolarHBondContact O-CB 3.47Å; F321-L325 PolarHBondContact O-N 3.26Å; S323-L325 VanDerWaalsContact C-N 3.29Å; S323-L325 PolarHBondContact O-N 3.39Å; L325-I329 HydrophobicContact CD1-CD1 3.83Å; L325-I329 HydrophobicContact CD1-CG1 4.03Å; L325-I329 HydrophobicContact CG-CD1 3.74Å; L325-I329 HydrophobicContact CG-CG1 4.41Å; L325-I329 WeakPolarHBondContact O-CB 3.33Å; L325-I329 VanDerWaalsContact O-CD1 3.28Å; L325-I329 WeakPolarHBondContact O-CD1 3.33Å; L325-I329 WeakPolarHBondContact O-CG1 3.39Å; L325-I329 PolarHBondContact O-N 3.11Å
326	E	87.5	Confident	80.8	Confident	49 Å²	49	52.3 Å²	52.3	23%	0.229	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-46.4	175.4	-162.1	167.1	-111.8	0	0	112.1	F288 R292 L322 S323 M324 E328 I329 Y330	F288-E326 HydrophobicContact CD1-CB 4.45Å; F288-E326 HydrophobicContact CD1-CG 4.22Å; F288-E326 HydrophobicContact CE1-CB 3.65Å; F288-E326 HydrophobicContact CE1-CG 3.84Å; F288-E326 HydrophobicContact CZ-CB 4.42Å; R292-E326 IonicContact CZ-OE1 2.61Å; R292-E326 IonicContact CZ-OE2 3.18Å; R292-E326 IonicContact NE-OE1 2.63Å; R292-E326 IonicContact NH1-OE1 3.41Å; R292-E326 PolarHBondContact NH1-OE1 2.96Å; R292-E326 IonicContact NH1-OE2 2.64Å; R292-E326 PolarHBondContact NH1-OE2 3.46Å; R292-E326 IonicContact NH2-OE2 2.78Å; L322-E326 WeakPolarHBondContact O-CB 3.31Å; L322-E326 PolarHBondContact O-N 2.92Å; S323-E326 WeakPolarHBondContact O-CA 3.5Å; S323-E326 VanDerWaalsContact O-CB 3.24Å; S323-E326 WeakPolarHBondContact O-CB 3.09Å; S323-E326 PolarHBondContact O-N 3.19Å; M324-E326 VanDerWaalsContact C-N 3.33Å; E326-E328 VanDerWaalsContact C-N 3.32Å; E326-E328 PolarHBondContact O-N 3.18Å; E326-I329 PolarHBondContact O-N 2.94Å; E326-Y330 HydrophobicContact CG-CD2 3.79Å; E326-Y330 HydrophobicContact CG-CE2 3.9Å; E326-Y330 WeakPolarHBondContact O-CD2 3.21Å; E326-Y330 PolarHBondContact O-N 2.94Å; E326-Y330 VanDerWaalsContact O-N 3.1Å
327	E	85.8	Confident	80.6	Confident	125 Å²	125	50 Å²	50	58%	0.584	26%	0.255	S	S	*	.	H	α-helix	trans	-58	-43.8	179.1	-71	168.9	-168.9	0	0	111.2	S323 M324 G331	S323-E327 PolarHBondContact O-N 3.12Å; S323-E327 VanDerWaalsContact O-N 3.1Å; M324-E327 PolarHBondContact O-N 2.83Å; E327-G331 VanDerWaalsContact O-CA 3.32Å; E327-G331 WeakPolarHBondContact O-CA 3.39Å; E327-G331 PolarHBondContact O-N 3.1Å
328	E	84.3	Confident	80.3	Confident	20 Å²	20	53.4 Å²	53.4	9%	0.093	27%	0.271	C	S	.	.	H	α-helix	trans	-78.5	-25.3	179.8	-57.6	-62	153.1	0	0	113.5	L200 K204 M324 E326 S334 I336 W337	L200-E328 HydrophobicContact CD1-CB 4.44Å; L200-E328 HydrophobicContact CD1-CG 3.86Å; K204-E328 WeakPolarHBondContact CE-OE1 3.38Å; K204-E328 IonicContact NZ-OE1 2.72Å; K204-E328 PolarHBondContact NZ-OE1 3.13Å; M324-E328 WeakPolarHBondContact O-CG 3.06Å; M324-E328 PolarHBondContact O-N 3.38Å; E326-E328 VanDerWaalsContact C-N 3.32Å; E326-E328 PolarHBondContact O-N 3.18Å; E328-S334 WeakPolarHBondContact CB-OG 3.41Å; E328-S334 WeakPolarHBondContact O-CB 3.28Å; E328-S334 PolarHBondContact O-OG 3.38Å; E328-S334 VanDerWaalsContact OE2-CB 3.3Å; E328-S334 WeakPolarHBondContact OE2-CB 3.07Å; E328-S334 PolarHBondContact OE2-OG 3.11Å; E328-I336 HydrophobicContact CB-CD1 3.56Å; E328-I336 HydrophobicContact CB-CG1 4.33Å; E328-I336 HydrophobicContact CG-CD1 4.3Å; E328-W337 PolarHBondContact O-NE1 2.89Å
329	I	84.1	Confident	79.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-51.5	172.6	-74.5	162	0	0	0	110.6	R281 L284 K285 F288 L325 E326 W337	R281-I329 PolarHBondContact NE-O 3.4Å; R281-I329 PolarHBondContact NH2-O 3.1Å; R281-I329 VanDerWaalsContact NH2-O 3.1Å; L284-I329 HydrophobicContact CD2-CD1 3.59Å; L284-I329 HydrophobicContact CD2-CG1 3.83Å; L284-I329 HydrophobicContact CG-CD1 3.82Å; L284-I329 HydrophobicContact CG-CG1 4.29Å; K285-I329 HydrophobicContact CB-CG2 4.38Å; K285-I329 WeakPolarHBondContact CE-O 3.32Å; K285-I329 HydrophobicContact CG-CG2 3.62Å; F288-I329 HydrophobicContact CB-CD1 4.1Å; F288-I329 HydrophobicContact CD1-CD1 3.82Å; F288-I329 HydrophobicContact CD2-CD1 3.41Å; F288-I329 VanDerWaalsContact CD2-CD1 3.41Å; F288-I329 HydrophobicContact CE1-CD1 4.06Å; F288-I329 HydrophobicContact CE2-CD1 3.66Å; F288-I329 HydrophobicContact CG-CD1 3.49Å; F288-I329 VanDerWaalsContact CG-CD1 3.49Å; F288-I329 HydrophobicContact CZ-CD1 3.97Å; L325-I329 HydrophobicContact CD1-CD1 3.83Å; L325-I329 HydrophobicContact CD1-CG1 4.03Å; L325-I329 HydrophobicContact CG-CD1 3.74Å; L325-I329 HydrophobicContact CG-CG1 4.41Å; L325-I329 WeakPolarHBondContact O-CB 3.33Å; L325-I329 VanDerWaalsContact O-CD1 3.28Å; L325-I329 WeakPolarHBondContact O-CD1 3.33Å; L325-I329 WeakPolarHBondContact O-CG1 3.39Å; L325-I329 PolarHBondContact O-N 3.11Å; E326-I329 PolarHBondContact O-N 2.94Å; I329-W337 HydrophobicContact CB-CZ2 4.46Å; I329-W337 HydrophobicContact CG1-CZ2 3.93Å
330	Y	84.3	Confident	77.9	Confident	85 Å²	85	62.1 Å²	62.1	33%	0.333	33%	0.327	S	S	.	.	H	α-helix	trans	-88.9	-21.9	-173.3	-65.6	-69.4	0	0	0	113.7	K285 F288 T289 E326 E332	K285-Y330 HydrophobicContact CB-CE1 4.13Å; K285-Y330 HydrophobicContact CG-CD1 4.25Å; K285-Y330 HydrophobicContact CG-CE1 4.13Å; K285-Y330 PolarHBondContact O-OH 2.85Å; F288-Y330 HydrophobicContact CD1-CE2 4.36Å; T289-Y330 HydrophobicContact CG2-CE2 4.02Å; T289-Y330 WeakPolarHBondContact CG2-OH 3.14Å; E326-Y330 HydrophobicContact CG-CD2 3.79Å; E326-Y330 HydrophobicContact CG-CE2 3.9Å; E326-Y330 WeakPolarHBondContact O-CD2 3.21Å; E326-Y330 PolarHBondContact O-N 2.94Å; E326-Y330 VanDerWaalsContact O-N 3.1Å; Y330-E332 PolarHBondContact O-N 3.47Å
331	G	80.1	Confident	76.8	Confident	30 Å²	30	57.6 Å²	57.6	31%	0.309	31%	0.307	S	S	.	.			trans	-65.4	127.1	177.5	0	0	0	0	0	112.9	R281 E327 N333	R281-G331 PolarHBondContact NH2-O 3.15Å; E327-G331 VanDerWaalsContact O-CA 3.32Å; E327-G331 WeakPolarHBondContact O-CA 3.39Å; E327-G331 PolarHBondContact O-N 3.1Å; G331-N333 PolarHBondContact O-N 3.01Å
332	E	65.2	Low	75.2	Confident	172 Å²	172	63 Å²	63	80%	0.804	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-38.8	-173.1	-64.5	-179.4	156.6	0	0	112.1	Y330 S334	Y330-E332 PolarHBondContact O-N 3.47Å; E332-S334 PolarHBondContact O-N 2.85Å
333	N	61.4	Low	73.6	Confident	165 Å²	165	66.9 Å²	66.9	88%	0.882	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	31.8	-177.1	-61.4	-9.6	0	0	0	114.3	G331 P335	G331-N333 PolarHBondContact O-N 3.01Å; N333-P335 WeakPolarHBondContact O-CD 3.28Å
334	S	71.3	Confident	71.6	Confident	8 Å²	8	70.2 Å²	70.2	6%	0.056	38%	0.38	C	S	.	.			trans	-84.5	117.8	-175	178.8	0	0	0	0	112.3	E328 E332 I336	E328-S334 WeakPolarHBondContact CB-OG 3.41Å; E328-S334 WeakPolarHBondContact O-CB 3.28Å; E328-S334 PolarHBondContact O-OG 3.38Å; E328-S334 VanDerWaalsContact OE2-CB 3.3Å; E328-S334 WeakPolarHBondContact OE2-CB 3.07Å; E328-S334 PolarHBondContact OE2-OG 3.11Å; E332-S334 PolarHBondContact O-N 2.85Å; S334-I336 VanDerWaalsContact C-N 3.28Å; S334-I336 PolarHBondContact O-N 3.41Å; S334-I336 WeakPolarHBondContact OG-CG1 3.32Å
335	P	70.9	Confident	69.2	Low	44 Å²	44	72.2 Å²	72.2	29%	0.286	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-76	-9.8	-172.2	31.7	-37.1	0	0	0	114.2	Y203 N333 W337 E338 F341	Y203-P335 HydrophobicContact CD1-CG 4.44Å; Y203-P335 HydrophobicContact CE1-CG 4Å; Y203-P335 HydrophobicContact CE2-CG 4.25Å; N333-P335 WeakPolarHBondContact O-CD 3.28Å; P335-W337 PolarHBondContact O-N 3.28Å; P335-E338 PolarHBondContact O-N 2.86Å; P335-F341 HydrophobicContact CB-CD2 4.39Å; P335-F341 HydrophobicContact CB-CE2 4.34Å; P335-F341 HydrophobicContact CG-CE2 4.45Å; P335-F341 WeakPolarHBondContact O-CD2 3.26Å
336	I	74.9	Confident	66.9	Low	0 Å²	0	78 Å²	78	0%	0	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-72.8	-8.3	-177.5	70.3	172.6	0	0	0	113.6	V196 L200 Y203 E328 S334	V196-I336 HydrophobicContact CG1-CB 4.43Å; V196-I336 HydrophobicContact CG1-CD1 3.59Å; V196-I336 HydrophobicContact CG1-CG1 3.82Å; L200-I336 HydrophobicContact CB-CD1 4.09Å; L200-I336 HydrophobicContact CD1-CD1 4.19Å; Y203-I336 HydrophobicContact CD1-CG2 3.98Å; Y203-I336 HydrophobicContact CG-CG2 4.32Å; E328-I336 HydrophobicContact CB-CD1 3.56Å; E328-I336 HydrophobicContact CB-CG1 4.33Å; E328-I336 HydrophobicContact CG-CD1 4.3Å; S334-I336 VanDerWaalsContact C-N 3.28Å; S334-I336 PolarHBondContact O-N 3.41Å; S334-I336 WeakPolarHBondContact OG-CG1 3.32Å
337	W	75.7	Confident	64	Low	21 Å²	21	84.9 Å²	84.9	8%	0.08	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-98.2	-3.3	179	-59.4	98.6	0	0	0	113.2	P191 V196 R281 L284 E328 I329 P335	P191-W337 WeakPolarHBondContact CD-O 3.25Å; P191-W337 WeakPolarHBondContact CG-O 3.39Å; V196-W337 HydrophobicContact CB-CE3 4.21Å; V196-W337 HydrophobicContact CB-CH2 4.34Å; V196-W337 HydrophobicContact CB-CZ3 4.03Å; V196-W337 HydrophobicContact CG1-CD2 3.93Å; V196-W337 HydrophobicContact CG1-CE3 3.85Å; V196-W337 HydrophobicContact CG1-CH2 3.67Å; V196-W337 HydrophobicContact CG1-CZ2 3.73Å; V196-W337 HydrophobicContact CG1-CZ3 3.73Å; V196-W337 HydrophobicContact CG2-CD2 4.13Å; V196-W337 HydrophobicContact CG2-CE3 3.4Å; V196-W337 HydrophobicContact CG2-CH2 4.29Å; V196-W337 HydrophobicContact CG2-CZ3 3.5Å; V196-W337 VanDerWaalsContact CG2-CZ3 3.5Å; R281-W337 HydrophobicContact CB-CD2 4.08Å; R281-W337 HydrophobicContact CB-CE3 3.49Å; R281-W337 VanDerWaalsContact CB-CE3 3.49Å; R281-W337 HydrophobicContact CB-CH2 3.88Å; R281-W337 HydrophobicContact CB-CZ2 4.42Å; R281-W337 HydrophobicContact CB-CZ3 3.37Å; R281-W337 HydrophobicContact CG-CD2 3.75Å; R281-W337 HydrophobicContact CG-CE3 3.7Å; R281-W337 HydrophobicContact CG-CG 4.5Å; R281-W337 HydrophobicContact CG-CH2 3.79Å; R281-W337 HydrophobicContact CG-CZ2 3.85Å; R281-W337 HydrophobicContact CG-CZ3 3.72Å; L284-W337 HydrophobicContact CD2-CH2 4.01Å; E328-W337 PolarHBondContact O-NE1 2.89Å; I329-W337 HydrophobicContact CB-CZ2 4.46Å; I329-W337 HydrophobicContact CG1-CZ2 3.93Å; P335-W337 PolarHBondContact O-N 3.28Å
338	E	74.1	Confident	61.2	Low	129 Å²	129	84 Å²	84	60%	0.603	49%	0.485	S	S	*	.	S	Bend	trans	-76.1	142.2	173.4	-64.4	-55.8	145.9	0	0	110.9	P335 D340	P335-E338 PolarHBondContact O-N 2.86Å; E338-D340 VanDerWaalsContact C-N 3.31Å; E338-D340 PolarHBondContact O-N 3.5Å
339	A	61	Low	58.6	Low	83 Å²	83	89.2 Å²	89.2	69%	0.686	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-31.4	-178.6	0	0	0	0	0	112.8
340	D	59.6	Low	55.8	Low	147 Å²	147	97.4 Å²	97.4	79%	0.786	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	34.5	-174.5	-59.8	-42.9	0	0	0	112.6	E338 T342	E338-D340 VanDerWaalsContact C-N 3.31Å; E338-D340 PolarHBondContact O-N 3.5Å; D340-T342 PolarHBondContact O-N 3.21Å; D340-T342 VanDerWaalsContact O-N 3.11Å
341	F	61.2	Low	53.2	Low	38 Å²	38	100.4 Å²	100.4	17%	0.167	58%	0.576	C	S	.	*			trans	-59.9	115.9	-179.4	-179.1	-97.5	0	0	0	112	Q202 Y203 P335 M343	Q202-F341 HydrophobicContact CB-CE1 4.23Å; Y203-F341 HydrophobicContact CD2-CE2 4.27Å; Y203-F341 HydrophobicContact CD2-CZ 4.08Å; Y203-F341 HydrophobicContact CG-CE2 4.47Å; Y203-F341 HydrophobicContact CG-CZ 4.2Å; P335-F341 HydrophobicContact CB-CD2 4.39Å; P335-F341 HydrophobicContact CB-CE2 4.34Å; P335-F341 HydrophobicContact CG-CE2 4.45Å; P335-F341 WeakPolarHBondContact O-CD2 3.26Å; F341-M343 HydrophobicContact CE1-CE 4.32Å; F341-M343 HydrophobicContact CZ-CE 3.89Å
342	T	53	Low	50.5	Low	114 Å²	114	102.4 Å²	102.4	70%	0.699	60%	0.598	S	S	*	*			trans	-129.4	149.4	174.4	46	0	0	0	0	110.2	D340	D340-T342 PolarHBondContact O-N 3.21Å; D340-T342 VanDerWaalsContact O-N 3.11Å
343	M	54.4	Low	48.6	Very low	81 Å²	81	102.7 Å²	102.7	40%	0.399	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-72.2	137.7	-179.8	-69.1	-97.4	67.6	0	0	110.7	Q202 Y203 F341 A345	Q202-M343 HydrophobicContact CB-SD 4.34Å; Y203-M343 HydrophobicContact CD2-CE 4.36Å; F341-M343 HydrophobicContact CE1-CE 4.32Å; F341-M343 HydrophobicContact CZ-CE 3.89Å; M343-A345 PolarHBondContact O-N 3.25Å
344	P	43.7	Very low	46.8	Very low	112 Å²	112	103.2 Å²	103.2	73%	0.727	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-57.7	133.3	165.8	-21	33.1	0	0	0	109.9	S346	P344-S346 PolarHBondContact O-N 3.31Å
345	A	34.5	Very low	44.5	Very low	94 Å²	94	108.5 Å²	108.5	78%	0.777	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-61.6	137.4	174.6	0	0	0	0	0	110	M343 E347	M343-A345 PolarHBondContact O-N 3.25Å; A345-E347 PolarHBondContact O-N 3.22Å; A345-E347 VanDerWaalsContact O-N 3.11Å
346	S	37.1	Very low	42.3	Very low	120 Å²	120	113.3 Å²	113.3	84%	0.839	66%	0.656	S	S	*	*			trans	-72.8	102	179.6	53.4	0	0	0	0	110.8	P344 S348	P344-S346 PolarHBondContact O-N 3.31Å; S346-S348 PolarHBondContact O-N 3.5Å
347	E	27.4	Very low	39.9	Very low	195 Å²	195	121 Å²	121	91%	0.911	70%	0.696	S	S	*	*			trans	-67.8	114.3	171.2	-78.5	-167.7	145.6	0	0	111.3	A345	A345-E347 PolarHBondContact O-N 3.22Å; A345-E347 VanDerWaalsContact O-N 3.11Å
348	S	27.1	Very low	37.3	Very low	106 Å²	106	125 Å²	125	74%	0.741	73%	0.727	S	S	*	*			trans	-81.4	115.3	165.4	52.9	0	0	0	0	110.4	S346	S346-S348 PolarHBondContact O-N 3.5Å
349	T	28.6	Very low	35.3	Very low	129 Å²	129	124.5 Å²	124.5	79%	0.791	73%	0.734	S	S	*	*			trans	31.2	113.8	145.5	-41.7	0	0	0	0	118.7
350	Q	27.2	Very low	33.4	Very low	172 Å²	172	126.7 Å²	126.7	80%	0.804	74%	0.739	S	S	*	*				-170.5	118.6	114.2	-100.9	-175.8	22.7	0	0	115.5
351	I	28.9	Very low	31.7	Very low	148 Å²	148	124.9 Å²	124.9	76%	0.759	74%	0.739	S	S	*	*			trans	59.3	122.4	135.6	-55.8	168.3	0	0	0	120.9
352	G	23.9	Very low	29.8	Very low	73 Å²	73	128.1 Å²	128.1	75%	0.753	77%	0.772	S	S	*	*			trans	-170.6	82	162.9	0	0	0	0	0	114
353	H	24.3	Very low	28.3	Very low	177 Å²	177	129 Å²	129	82%	0.819	78%	0.783	S	S	*	*			trans	8.3	126.3	168.4	-74.7	-92.9	0	0	0	121.8
354	Q	24	Very low	26.8	Very low	176 Å²	176	128.9 Å²	128.9	82%	0.822	80%	0.802	S	S	*	*				-169.6	122	99.9	-104.5	-177.5	3.8	0	0	115.6
355	T	23.3	Very low	25.7	Very low	119 Å²	119	129.3 Å²	129.3	73%	0.73	81%	0.808	S	S	*	*			trans	31.2	110.5	145	50.7	0	0	0	0	122.3
356	V	24.6	Very low	25.4	Very low	146 Å²	146	131.4 Å²	131.4	89%	0.885	81%	0.814	S	S	*	*			trans	-136	147.6	140.1	-179.5	0	0	0	0	109.1
357	I	24.8	Very low	24.6	Very low	162 Å²	162	129.8 Å²	129.8	83%	0.831	81%	0.808	S	S	*	*			trans	-92.3	135	-168.1	-65.9	162.9	0	0	0	111.8
358	S	20.4	Very low	24.4	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	81%	0.805	S	S	*	*			trans	-91.2	175.3	167.2	-55.1	0	0	0	0	110.7
359	P	32.2	Very low	24.1	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	81%	0.805	S	S	*	*			cis	-125.4	-153.7	6.2	29.3	-2.6	0	0	0	110.9
360	T	21.8	Very low	23.8	Very low	129 Å²	129	130.8 Å²	130.8	79%	0.791	81%	0.805	S	S	*	*			cis	-156.5	163.8	12.3	-28.6	0	0	0	0	111.2
361	S	22.6	Very low	23.4	Very low	110 Å²	110	127.5 Å²	127.5	77%	0.769	80%	0.8	S	S	*	*			trans	-97.2	149.9	169.7	53.9	0	0	0	0	113.6
362	A	22.5	Very low	23.1	Very low	105 Å²	105	127.2 Å²	127.2	87%	0.868	80%	0.799	S	S	*	*			trans	-160.5	147.4	148.9	0	0	0	0	0	112.4
363	S	21.4	Very low	23	Very low	132 Å²	132	130.3 Å²	130.3	92%	0.923	80%	0.798	S	S	*	*			trans	-104.7	162.5	-177.2	-50.9	0	0	0	0	112.1
364	G	21.6	Very low	22.8	Very low	79 Å²	79	126.2 Å²	126.2	81%	0.814	79%	0.79	S	S	*	*			trans	157	110.9	159.1	0	0	0	0	0	116.3
365	S	22.2	Very low	22.7	Very low	121 Å²	121	123.1 Å²	123.1	85%	0.846	79%	0.788	S	S	*	*			trans	-94.9	159.4	157.3	-51.6	0	0	0	0	109.2
366	P	26.6	Very low	22.7	Very low	138 Å²	138	122.4 Å²	122.4	90%	0.896	79%	0.788	S	S	*	*				-146.3	-173.5	97.6	36.4	-18.5	0	0	0	114.4
367	A	21.3	Very low	22.6	Very low	87 Å²	87	120 Å²	120	72%	0.719	78%	0.777	S	S	*	*			trans	-124.7	163.6	-172.8	0	0	0	0	0	113
368	L	22.1	Very low	22.5	Very low	161 Å²	161	120.4 Å²	120.4	84%	0.843	78%	0.78	S	S	*	*			trans	148.9	131.1	130.4	-84.8	160.6	0	0	0	116.5
369	S	21.1	Very low	22.6	Very low	106 Å²	106	118.4 Å²	118.4	74%	0.741	78%	0.776	S	S	*	*			trans	70.9	154.9	142.9	80.5	0	0	0	0	119.2
370	K	22.1	Very low	22.2	Very low	183 Å²	183	117.9 Å²	117.9	80%	0.796	78%	0.775	S	S	*	*			cis	-167.8	156.3	-5	-128.4	179.3	180	178.5	0	110.8
371	C	19.9	Very low	22.3	Very low	103 Å²	103	118.6 Å²	118.6	70%	0.696	78%	0.78	S	S	*	*			trans	65.8	159.4	150	-65.3	0	0	0	0	120
372	L	22	Very low	22.3	Very low	142 Å²	142	120.2 Å²	120.2	74%	0.743	78%	0.779	S	S	*	*			cis	-167.5	172.1	-15	-109.9	169.9	0	0	0	111.2
373	N	21.6	Very low	22.3	Very low	138 Å²	138	121.3 Å²	121.3	74%	0.738	78%	0.775	S	S	*	*			trans	73.9	156.5	156.1	-70.6	-0.3	0	0	0	121.5
374	S	21.5	Very low	22.4	Very low	92 Å²	92	118.9 Å²	118.9	64%	0.643	77%	0.771	S	S	*	*			cis	-177	170.5	-29.9	61	0	0	0	0	111.8
375	S	21.8	Very low	22.4	Very low	111 Å²	111	118.6 Å²	118.6	78%	0.776	77%	0.768	S	S	*	*			trans	76	161	167.9	86.2	0	0	0	0	116.7
376	S	22.9	Very low	22.5	Very low	104 Å²	104	120 Å²	120	73%	0.727	77%	0.771	S	S	*	*			cis	176.5	161.5	-23.5	50.5	0	0	0	0	109
377	S	22	Very low	22.3	Very low	94 Å²	94	120.7 Å²	120.7	66%	0.657	76%	0.763	S	S	*	*			cis	-173.8	177.4	-21.1	55.5	0	0	0	0	109.4
378	L	22.6	Very low	22.5	Very low	171 Å²	171	122.7 Å²	122.7	90%	0.895	77%	0.768	S	S	*	*			trans	68.7	154.5	170.6	-61.1	139.6	0	0	0	117
379	G	23.8	Very low	22.7	Very low	62 Å²	62	121.7 Å²	121.7	64%	0.639	76%	0.762	S	S	*	*			cis	-168.7	155.1	-8.2	0	0	0	0	0	106.9
380	S	23	Very low	22.7	Very low	108 Å²	108	123.6 Å²	123.6	76%	0.755	77%	0.77	S	S	*	*			cis	121.8	155.7	45	56.2	0	0	0	0	109
381	T	24.6	Very low	22.7	Very low	144 Å²	144	118.4 Å²	118.4	88%	0.883	77%	0.768	S	S	*	*			trans	96.2	149.4	-179.7	76.3	0	0	0	0	118.1
382	D	21.8	Very low	22.8	Very low	143 Å²	143	120.3 Å²	120.3	77%	0.765	77%	0.771	S	S	*	*				-171	168.6	-84.5	-175.5	26	0	0	0	110
383	T	23.1	Very low	22.8	Very low	128 Å²	128	121.7 Å²	121.7	79%	0.785	77%	0.772	S	S	*	*			trans	69.9	144.4	172.3	76	0	0	0	0	117.5
384	G	22.4	Very low	23	Very low	81 Å²	81	126.9 Å²	126.9	84%	0.835	78%	0.781	S	S	*	*			cis	150.4	128.5	-11	0	0	0	0	0	113.5
385	G	21.7	Very low	22.9	Very low	73 Å²	73	132.6 Å²	132.6	75%	0.753	79%	0.794	S	S	*	*			trans	134.3	108.4	151.5	0	0	0	0	0	121.4
386	V	24.1	Very low	23.1	Very low	150 Å²	150	134.7 Å²	134.7	91%	0.909	80%	0.796	S	S	*	*				73.9	123.9	129.6	-177.8	0	0	0	0	121.7
387	E	22.4	Very low	23.3	Very low	153 Å²	153	135.4 Å²	135.4	72%	0.715	80%	0.798	S	S	*	*			trans	-82.5	170.8	161.5	-63.1	-164.4	140.3	0	0	112.8
388	P	26.6	Very low	23.4	Very low	129 Å²	129	139.7 Å²	139.7	84%	0.838	81%	0.808	S	S	*	*				-145.4	161.5	103.1	36	-20.5	0	0	0	117.1
389	I	25.4	Very low	23.6	Very low	140 Å²	140	136 Å²	136	72%	0.718	80%	0.802	S	S	*	*			trans	-80.6	145.5	-179.7	-62.3	160.2	0	0	0	112.5
390	T	22.6	Very low	23.8	Very low	147 Å²	147	140.4 Å²	140.4	90%	0.902	81%	0.81	S	S	*	*			trans	-157.9	157.5	144.6	23.3	0	0	0	0	109.6
391	G	22.1	Very low	24.5	Very low	74 Å²	74	140.2 Å²	140.2	76%	0.763	80%	0.804	S	S	*	*			trans	-144.6	-178.5	-179.9	0	0	0	0	0	114.2
392	D	21.2	Very low	25	Very low	142 Å²	142	141 Å²	141	76%	0.759	80%	0.802	S	S	*	*			trans	148.7	155.6	130.7	-158.2	9.5	0	0	0	114.2
393	K	21.2	Very low	25.4	Very low	172 Å²	172	142.3 Å²	142.3	75%	0.748	80%	0.804	S	S	*	*			trans	75.5	93.5	159.7	-48.7	-168.1	-174.3	171.1	0	122.8
394	R	25.5	Very low	25.8	Very low	247 Å²	247	139.8 Å²	139.8	93%	0.932	79%	0.785	S	S	*	*			trans	12.7	136.3	132.4	-54.1	176.6	-169	160.7	5	120.7
395	K	21.2	Very low	26.3	Very low	211 Å²	211	139.8 Å²	139.8	92%	0.917	78%	0.778	S	S	*	*			trans	-150	148	130.9	-105.9	179.9	-175.7	179.7	0	111.2
396	L	25.2	Very low	27	Very low	155 Å²	155	145.6 Å²	145.6	81%	0.812	78%	0.782	S	S	*	*			trans	-93.9	159.9	176.7	-100.5	153.8	0	0	0	111.1
397	P	26.1	Very low	27.4	Very low	119 Å²	119	149.6 Å²	149.6	77%	0.773	78%	0.781	S	S	*	*				-132.9	149.8	121.4	11	10.6	0	0	0	114.7
398	E	25.1	Very low	28.1	Very low	185 Å²	185	148.5 Å²	148.5	86%	0.864	78%	0.779	S	S	*	*			trans	-76.8	170.4	162.4	-55.6	168.5	110.3	0	0	109.6
399	A	27.2	Very low	28.5	Very low	93 Å²	93	154 Å²	154	77%	0.769	78%	0.783	S	S	*	*			cis	-148.7	156.9	9.9	0	0	0	0	0	110.6
400	L	27.4	Very low	29	Very low	154 Å²	154	153.4 Å²	153.4	81%	0.806	79%	0.785	S	S	*	*			trans	-120.9	148.9	168	-83.8	167.4	0	0	0	110.9
401	T	37	Very low	29.5	Very low	104 Å²	104	155.5 Å²	155.5	64%	0.638	79%	0.787	S	S	*	*			trans	-83.4	163.9	-162.8	49.1	0	0	0	0	113.9	E403 D404	T401-E403 PolarHBondContact O-N 3.43Å; T401-D404 PolarHBondContact O-N 3Å
402	L	35.1	Very low	30.5	Very low	162 Å²	162	155.3 Å²	155.3	85%	0.848	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-7.2	-168.5	-129.5	115.6	0	0	0	115.8
403	E	31.1	Very low	31.8	Very low	170 Å²	170	154.9 Å²	154.9	79%	0.794	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-28.3	177.5	-60	-156.3	129.9	0	0	113.1	T401 A405 K406	T401-E403 PolarHBondContact O-N 3.43Å; E403-A405 PolarHBondContact O-N 3Å; E403-K406 PolarHBondContact O-N 3.21Å
404	D	31.7	Very low	33.1	Very low	75 Å²	75	150.9 Å²	150.9	40%	0.401	77%	0.769	S	S	.	*	G	3₁₀ helix	trans	-67.5	-25	176.8	-71.8	-47.2	0	0	0	112.5	T401 K406 R407	T401-D404 PolarHBondContact O-N 3Å; D404-K406 PolarHBondContact O-N 3.04Å; D404-R407 PolarHBondContact O-N 3.22Å; D404-R407 VanDerWaalsContact O-N 3.16Å
405	A	33.3	Very low	34.8	Very low	81 Å²	81	142.7 Å²	142.7	67%	0.669	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-61.7	-11.1	179.9	0	0	0	0	0	114.8	E403	E403-A405 PolarHBondContact O-N 3Å
406	K	35.3	Very low	36.4	Very low	195 Å²	195	139.7 Å²	139.7	85%	0.848	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-101	-4.4	178.6	-71.7	179	-176.5	166.6	0	115	E403 D404	E403-K406 PolarHBondContact O-N 3.21Å; D404-K406 PolarHBondContact O-N 3.04Å
407	R	32.4	Very low	38	Very low	234 Å²	234	140 Å²	140	88%	0.883	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-7.9	178.2	-85.8	-173.2	177.5	170.4	3.2	115.7	D404	D404-R407 PolarHBondContact O-N 3.22Å; D404-R407 VanDerWaalsContact O-N 3.16Å
408	I	36.8	Very low	39.6	Very low	130 Å²	130	137.3 Å²	137.3	67%	0.667	71%	0.714	S	S	*	*			trans	-115.7	92.2	-174.9	-54.6	176.5	0	0	0	110.5
409	R	36.2	Very low	41.3	Very low	245 Å²	245	130.3 Å²	130.3	93%	0.925	68%	0.684	S	S	*	*			trans	-167.7	50.1	160.4	-113.3	175.6	-149.5	-155.3	6.9	115.2
410	V	36	Very low	42.9	Very low	126 Å²	126	129.9 Å²	129.9	76%	0.764	67%	0.669	S	S	*	*			trans	-148.5	73.9	143.8	-167.9	0	0	0	0	108.9
411	M	32	Very low	44.4	Very low	191 Å²	191	127.4 Å²	127.4	94%	0.941	65%	0.653	S	S	*	*			trans	-121.7	120.3	158.1	-101.3	-169.7	162.5	0	0	106.3
412	G	42.8	Very low	45.5	Very low	70 Å²	70	122.5 Å²	122.5	72%	0.722	62%	0.623	S	S	*	*	S	Bend	trans	150.3	-29.2	176.3	0	0	0	0	0	116.9	I414	G412-I414 PolarHBondContact O-N 3.35Å
413	D	48.4	Very low	46.6	Very low	133 Å²	133	118.1 Å²	118.1	71%	0.711	60%	0.599	S	S	*	*	S	Bend	trans	-85.6	-3.1	-163.1	-66.2	-19	0	0	0	116.2
414	I	49.8	Very low	47.9	Very low	89 Å²	89	116.3 Å²	116.3	46%	0.456	59%	0.592	S	S	.	*	S	Bend	trans	-140.6	113.4	179.8	-47.1	-176.1	0	0	0	108.8	G412 L418 V419 L639	G412-I414 PolarHBondContact O-N 3.35Å; I414-L418 HydrophobicContact CG2-CD2 4.18Å; I414-V419 HydrophobicContact CG2-CG2 3.87Å; I414-L639 HydrophobicContact CD1-CD1 4.18Å; I414-L639 HydrophobicContact CG2-CD1 4.39Å; I414-L639 HydrophobicContact CG2-CD2 4.09Å
415	P	59.6	Low	49.2	Very low	75 Å²	75	116.8 Å²	116.8	49%	0.487	60%	0.598	S	S	.	*			trans	-59.7	139.6	176.1	-25	34.9	0	0	0	112	E417 L418 V419	P415-E417 PolarHBondContact O-N 2.93Å; P415-L418 HydrophobicContact CB-CB 4.33Å; P415-L418 WeakPolarHBondContact O-CB 3.3Å; P415-L418 PolarHBondContact O-N 3.48Å; P415-V419 PolarHBondContact O-N 2.94Å
416	M	56.2	Low	50.3	Low	148 Å²	148	113.4 Å²	113.4	73%	0.729	57%	0.568	S	S	*	*	H	α-helix	trans	-60.7	-32.2	178.3	-144.2	77.3	-179.6	0	0	111.7	V419 N420	M416-V419 PolarHBondContact O-N 3.45Å; M416-N420 PolarHBondContact O-N 3.19Å
417	E	58.2	Low	51	Low	160 Å²	160	108.9 Å²	108.9	75%	0.748	56%	0.557	S	S	*	*	H	α-helix	trans	-59.5	-42	172.6	-64.8	172	162.6	0	0	112.4	P415 V419 N420 E421	P415-E417 PolarHBondContact O-N 2.93Å; E417-V419 VanDerWaalsContact C-N 3.33Å; E417-V419 PolarHBondContact O-N 3.34Å; E417-N420 PolarHBondContact O-N 3.38Å; E417-E421 WeakPolarHBondContact O-CB 3.36Å; E417-E421 PolarHBondContact O-N 3.19Å
418	L	60.6	Low	51.6	Low	63 Å²	63	101.9 Å²	101.9	33%	0.33	54%	0.537	S	S	.	.	H	α-helix	trans	-67.7	-35.1	177.8	-171.1	68.7	0	0	0	111.5	I414 P415 V422 L639	I414-L418 HydrophobicContact CG2-CD2 4.18Å; P415-L418 HydrophobicContact CB-CB 4.33Å; P415-L418 WeakPolarHBondContact O-CB 3.3Å; P415-L418 PolarHBondContact O-N 3.48Å; L418-V422 WeakPolarHBondContact O-CB 3.41Å; L418-V422 VanDerWaalsContact O-CG2 3.24Å; L418-V422 WeakPolarHBondContact O-CG2 3.39Å; L418-V422 PolarHBondContact O-N 3.41Å; L418-L639 HydrophobicContact CD2-CD2 3.96Å; L418-L639 HydrophobicContact CG-CD2 4.1Å
419	V	60	Low	51.9	Low	38 Å²	38	100.5 Å²	100.5	23%	0.23	54%	0.537	C	S	.	.	H	α-helix	trans	-67.1	-43	173.1	-179	0	0	0	0	110.4	I414 P415 M416 E417 V422 M423 I635	I414-V419 HydrophobicContact CG2-CG2 3.87Å; P415-V419 PolarHBondContact O-N 2.94Å; M416-V419 PolarHBondContact O-N 3.45Å; E417-V419 VanDerWaalsContact C-N 3.33Å; E417-V419 PolarHBondContact O-N 3.34Å; V419-V422 PolarHBondContact O-N 2.92Å; V419-M423 VanDerWaalsContact O-CB 3.26Å; V419-M423 WeakPolarHBondContact O-CB 3.37Å; V419-M423 PolarHBondContact O-N 2.99Å; V419-I635 HydrophobicContact CG1-CG2 4.37Å
420	N	60.2	Low	52	Low	84 Å²	84	92 Å²	92	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-65.3	-42.9	177	-73.7	-14.7	0	0	0	112.1	M416 E417 M423 M424	M416-N420 PolarHBondContact O-N 3.19Å; E417-N420 PolarHBondContact O-N 3.38Å; N420-M423 CarbonylContact O-C 3.58Å; N420-M423 WeakPolarHBondContact O-CB 3.32Å; N420-M423 PolarHBondContact O-N 3.06Å; N420-M423 VanDerWaalsContact O-N 3.13Å; N420-M424 WeakPolarHBondContact O-CG 3.2Å; N420-M424 PolarHBondContact O-N 3.32Å
421	E	59.8	Low	52.5	Low	103 Å²	103	89.5 Å²	89.5	48%	0.481	51%	0.512	S	S	.	.	H	α-helix	trans	-63.5	-42.9	176.5	-169	-149.8	-145.3	0	0	111.9	E417 M423 M424 T425 R642	E417-E421 WeakPolarHBondContact O-CB 3.36Å; E417-E421 PolarHBondContact O-N 3.19Å; E421-M423 VanDerWaalsContact C-N 3.29Å; E421-M423 PolarHBondContact O-N 3.32Å; E421-M424 PolarHBondContact O-N 3.07Å; E421-T425 PolarHBondContact O-N 3.49Å; E421-T425 VanDerWaalsContact O-N 3.1Å; E421-T425 PolarHBondContact O-OG1 2.92Å; E421-R642 IonicContact OE2-CZ 2.86Å; E421-R642 VanDerWaalsContact OE2-CZ 3.24Å; E421-R642 IonicContact OE2-NH1 2.66Å; E421-R642 PolarHBondContact OE2-NH1 3.13Å; E421-R642 IonicContact OE2-NH2 3.67Å; E421-R642 PolarHBondContact OE2-NH2 3.47Å
422	V	59.8	Low	53	Low	0 Å²	0	81.7 Å²	81.7	0%	0	47%	0.473	C	S	.	.	H	α-helix	trans	-63.1	-36.5	171.8	170.2	0	0	0	0	111.1	L418 V419 T425 I426 I635 K638 L639	L418-V422 WeakPolarHBondContact O-CB 3.41Å; L418-V422 VanDerWaalsContact O-CG2 3.24Å; L418-V422 WeakPolarHBondContact O-CG2 3.39Å; L418-V422 PolarHBondContact O-N 3.41Å; V419-V422 PolarHBondContact O-N 2.92Å; V422-T425 WeakPolarHBondContact CA-OG1 3.38Å; V422-T425 CarbonylContact O-C 3.57Å; V422-T425 PolarHBondContact O-N 3.27Å; V422-T425 PolarHBondContact O-OG1 2.99Å; V422-I426 HydrophobicContact CG1-CD1 3.98Å; V422-I426 WeakPolarHBondContact O-CD1 3.29Å; V422-I426 VanDerWaalsContact O-CG1 3.26Å; V422-I426 WeakPolarHBondContact O-CG1 3.48Å; V422-I426 PolarHBondContact O-N 2.96Å; V422-I635 HydrophobicContact CG1-CG1 4.48Å; V422-I635 HydrophobicContact CG1-CG2 4.27Å; V422-K638 HydrophobicContact CG1-CB 3.91Å; V422-K638 HydrophobicContact CG1-CD 4.19Å; V422-L639 HydrophobicContact CG2-CD2 4.19Å
423	M	57.4	Low	52.9	Low	70 Å²	70	84.6 Å²	84.6	35%	0.345	47%	0.472	S	S	.	.	H	α-helix	trans	-71.4	-33.3	177.4	-172.5	159.6	126.2	0	0	112.6	V419 N420 E421 T425 I426	V419-M423 VanDerWaalsContact O-CB 3.26Å; V419-M423 WeakPolarHBondContact O-CB 3.37Å; V419-M423 PolarHBondContact O-N 2.99Å; N420-M423 CarbonylContact O-C 3.58Å; N420-M423 WeakPolarHBondContact O-CB 3.32Å; N420-M423 PolarHBondContact O-N 3.06Å; N420-M423 VanDerWaalsContact O-N 3.13Å; E421-M423 VanDerWaalsContact C-N 3.29Å; E421-M423 PolarHBondContact O-N 3.32Å; M423-T425 VanDerWaalsContact C-N 3.34Å; M423-I426 CarbonylContact O-C 3.31Å; M423-I426 PolarHBondContact O-N 2.93Å; M423-I426 VanDerWaalsContact O-N 3.11Å
424	M	59.5	Low	52.3	Low	132 Å²	132	80.1 Å²	80.1	65%	0.65	46%	0.457	S	S	*	.	H	α-helix	trans	-70.1	-28.7	172.8	-69.4	-61.3	164	0	0	112.6	N420 E421 I426 T427	N420-M424 WeakPolarHBondContact O-CG 3.2Å; N420-M424 PolarHBondContact O-N 3.32Å; E421-M424 PolarHBondContact O-N 3.07Å; M424-I426 VanDerWaalsContact C-N 3.25Å; M424-I426 PolarHBondContact O-N 3.42Å; M424-T427 WeakPolarHBondContact O-CG2 3.4Å; M424-T427 PolarHBondContact O-OG1 2.76Å
425	T	58.9	Low	51.7	Low	85 Å²	85	81.7 Å²	81.7	52%	0.521	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	10.2	168.5	38.7	0	0	0	0	114	E421 V422 M423 K638	E421-T425 PolarHBondContact O-N 3.49Å; E421-T425 VanDerWaalsContact O-N 3.1Å; E421-T425 PolarHBondContact O-OG1 2.92Å; V422-T425 WeakPolarHBondContact CA-OG1 3.38Å; V422-T425 CarbonylContact O-C 3.57Å; V422-T425 PolarHBondContact O-N 3.27Å; V422-T425 PolarHBondContact O-OG1 2.99Å; M423-T425 VanDerWaalsContact C-N 3.34Å; T425-K638 PolarHBondContact O-NZ 2.87Å
426	I	55.4	Low	50.8	Low	10 Å²	10	84.4 Å²	84.4	5%	0.051	48%	0.479	C	S	.	.			trans	-124.9	59.5	167.9	-52.3	156.8	0	0	0	108	V422 M423 M424 M432 I635 K638	V422-I426 HydrophobicContact CG1-CD1 3.98Å; V422-I426 WeakPolarHBondContact O-CD1 3.29Å; V422-I426 VanDerWaalsContact O-CG1 3.26Å; V422-I426 WeakPolarHBondContact O-CG1 3.48Å; V422-I426 PolarHBondContact O-N 2.96Å; M423-I426 CarbonylContact O-C 3.31Å; M423-I426 PolarHBondContact O-N 2.93Å; M423-I426 VanDerWaalsContact O-N 3.11Å; M424-I426 VanDerWaalsContact C-N 3.25Å; M424-I426 PolarHBondContact O-N 3.42Å; I426-M432 HydrophobicContact CG2-CE 3.58Å; I426-M432 HydrophobicContact CG2-CG 4.32Å; I426-M432 HydrophobicContact CG2-SD 4Å; I426-I635 HydrophobicContact CD1-CG1 3.63Å; I426-K638 HydrophobicContact CD1-CD 4.09Å; I426-K638 HydrophobicContact CG1-CD 4Å; I426-K638 VanDerWaalsContact CG1-NZ 3.26Å
427	T	50.8	Low	50	Low	100 Å²	100	81.8 Å²	81.8	61%	0.613	47%	0.471	S	S	*	.			trans	-107.9	-13.4	-178.1	35.9	0	0	0	0	114.1	M424 P429	M424-T427 WeakPolarHBondContact O-CG2 3.4Å; M424-T427 PolarHBondContact O-OG1 2.76Å; T427-P429 WeakPolarHBondContact O-CD 3.3Å
428	D	44.3	Very low	49	Very low	87 Å²	87	81 Å²	81	47%	0.465	47%	0.472	S	S	.	.			trans	-93.5	114.6	175.8	178.9	16.1	0	0	0	112.1	A430 A431	D428-A430 VanDerWaalsContact C-N 3.26Å; D428-A430 PolarHBondContact O-N 3.45Å; D428-A430 WeakPolarHBondContact OD1-CB 3.5Å; D428-A430 PolarHBondContact OD1-N 2.94Å; D428-A431 HydrophobicContact CB-CB 4.09Å; D428-A431 WeakPolarHBondContact OD2-CB 3.2Å; D428-A431 PolarHBondContact OD2-N 3.32Å; D428-A431 VanDerWaalsContact OD2-N 3.12Å
429	P	44	Very low	47.8	Very low	102 Å²	102	83.6 Å²	83.6	66%	0.662	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.4	174.8	-19.2	33.3	0	0	0	113.9	T427	T427-P429 WeakPolarHBondContact O-CD 3.3Å
430	A	38.8	Very low	46.8	Very low	65 Å²	65	85.2 Å²	85.2	54%	0.537	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-41.2	-179.2	0	0	0	0	0	111.8	D428 M432 L433	D428-A430 VanDerWaalsContact C-N 3.26Å; D428-A430 PolarHBondContact O-N 3.45Å; D428-A430 WeakPolarHBondContact OD1-CB 3.5Å; D428-A430 PolarHBondContact OD1-N 2.94Å; A430-M432 PolarHBondContact O-N 3.31Å; A430-L433 WeakPolarHBondContact O-CB 3.4Å; A430-L433 PolarHBondContact O-N 3.03Å
431	A	45.1	Very low	46.1	Very low	75 Å²	75	86.1 Å²	86.1	62%	0.62	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-59.4	-25.1	172.1	0	0	0	0	0	113.6	D428 L433	D428-A431 HydrophobicContact CB-CB 4.09Å; D428-A431 WeakPolarHBondContact OD2-CB 3.2Å; D428-A431 PolarHBondContact OD2-N 3.32Å; D428-A431 VanDerWaalsContact OD2-N 3.12Å; A431-L433 PolarHBondContact O-N 3.18Å
432	M	43.4	Very low	45.3	Very low	26 Å²	26	84.5 Å²	84.5	13%	0.128	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-73	-1	172.2	-68.5	-164	113.8	0	0	114.3	I426 A430 K630 R631 E634	I426-M432 HydrophobicContact CG2-CE 3.58Å; I426-M432 HydrophobicContact CG2-CG 4.32Å; I426-M432 HydrophobicContact CG2-SD 4Å; A430-M432 PolarHBondContact O-N 3.31Å; M432-K630 PolarHBondContact O-NZ 2.85Å; M432-R631 HydrophobicContact CE-CG 4.49Å; M432-E634 HydrophobicContact CE-CB 4.49Å; M432-E634 WeakPolarHBondContact CE-OE2 3.3Å
433	L	39.9	Very low	44.6	Very low	132 Å²	132	87.7 Å²	87.7	69%	0.691	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-110.4	43.7	175.5	-65.7	171	0	0	0	112.2	A430 A431	A430-L433 WeakPolarHBondContact O-CB 3.4Å; A430-L433 PolarHBondContact O-N 3.03Å; A431-L433 PolarHBondContact O-N 3.18Å
434	G	36.3	Very low	44.2	Very low	38 Å²	38	85.4 Å²	85.4	39%	0.392	51%	0.509	S	S	.	.			trans	-58.5	158	162.9	0	0	0	0	0	112.2	E436	G434-E436 PolarHBondContact O-N 3.02Å
435	P	38.5	Very low	43.8	Very low	122 Å²	122	81.6 Å²	81.6	79%	0.792	50%	0.498	S	S	*	.	S	Bend	trans	-65.2	-4	-176.1	26.5	-35.2	0	0	0	114.9	T437	P435-T437 VanDerWaalsContact C-N 3.25Å; P435-T437 PolarHBondContact O-N 3.17Å; P435-T437 VanDerWaalsContact O-N 3.11Å
436	E	39.9	Very low	43.8	Very low	133 Å²	133	82.2 Å²	82.2	62%	0.621	49%	0.491	S	S	*	.			trans	-82.1	37.8	-178	-74.1	-70.1	135.8	0	0	114.1	G434 N438 L439	G434-E436 PolarHBondContact O-N 3.02Å; E436-N438 PolarHBondContact O-N 3.33Å; E436-N438 VanDerWaalsContact O-N 3.13Å; E436-L439 WeakPolarHBondContact OE2-CD1 3.39Å
437	T	38.2	Very low	44.2	Very low	92 Å²	92	81.8 Å²	81.8	56%	0.564	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-67.1	-9.8	175.9	51.9	0	0	0	0	113.6	P435 L439	P435-T437 VanDerWaalsContact C-N 3.25Å; P435-T437 PolarHBondContact O-N 3.17Å; P435-T437 VanDerWaalsContact O-N 3.11Å; T437-L439 VanDerWaalsContact C-N 3.34Å; T437-L439 PolarHBondContact O-N 2.87Å
438	N	37.2	Very low	45	Very low	143 Å²	143	81.2 Å²	81.2	77%	0.765	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-76.1	-7.5	-177.3	-70.8	-48.7	0	0	0	115.6	E436	E436-N438 PolarHBondContact O-N 3.33Å; E436-N438 VanDerWaalsContact O-N 3.13Å
439	L	37.1	Very low	46.3	Very low	118 Å²	118	80.1 Å²	80.1	62%	0.618	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-96.5	21.2	-175.7	-69.1	175.1	0	0	0	115	E436 T437 K633	E436-L439 WeakPolarHBondContact OE2-CD1 3.39Å; T437-L439 VanDerWaalsContact C-N 3.34Å; T437-L439 PolarHBondContact O-N 2.87Å; L439-K633 PolarHBondContact O-NZ 3.14Å
440	L	38.7	Very low	47.7	Very low	73 Å²	73	75.3 Å²	75.3	38%	0.382	44%	0.444	S	S	.	.	S	Bend	trans	-102.6	151.6	175.6	-68.4	175.5	0	0	0	112.4	A444	L440-A444 HydrophobicContact CB-CB 4.45Å; L440-A444 HydrophobicContact CD1-CB 4.41Å
441	T	44.1	Very low	49.5	Very low	102 Å²	102	73.6 Å²	73.6	63%	0.626	42%	0.424	S	S	*	.			trans	-57.4	131.8	163.3	-47.5	0	0	0	0	108.2	N443 A444	T441-N443 PolarHBondContact O-N 3.21Å; T441-A444 PolarHBondContact O-N 3.32Å
442	P	44.7	Very low	51	Low	69 Å²	69	73.8 Å²	73.8	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-58.9	-11.7	-173.2	17	-30.1	0	0	0	115.2	R446	P442-R446 WeakPolarHBondContact O-CD 3.36Å; P442-R446 WeakPolarHBondContact O-CG 3.38Å; P442-R446 PolarHBondContact O-NE 2.71Å
443	N	44.2	Very low	52.8	Low	68 Å²	68	73.8 Å²	73.8	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-72.2	-36.2	172.5	-63.8	1.1	0	0	0	113.3	T441 R446 D447	T441-N443 PolarHBondContact O-N 3.21Å; N443-R446 PolarHBondContact O-N 3.28Å; N443-D447 PolarHBondContact O-N 3.48Å
444	A	48.8	Very low	54.8	Low	22 Å²	22	70.4 Å²	70.4	18%	0.182	40%	0.395	C	S	.	.	H	α-helix	trans	-70.9	-41.2	-175.9	0	0	0	0	0	111.8	L440 T441 R446 D447 E448	L440-A444 HydrophobicContact CB-CB 4.45Å; L440-A444 HydrophobicContact CD1-CB 4.41Å; T441-A444 PolarHBondContact O-N 3.32Å; A444-R446 VanDerWaalsContact C-N 3.27Å; A444-R446 PolarHBondContact O-N 2.72Å; A444-D447 PolarHBondContact O-N 2.96Å; A444-E448 PolarHBondContact O-N 2.95Å; A444-E448 VanDerWaalsContact O-N 3.11Å
445	A	51.9	Low	57	Low	51 Å²	51	78.7 Å²	78.7	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-66.4	-27.1	174.2	0	0	0	0	0	113.2	T449	A445-T449 PolarHBondContact O-N 3.48Å; A445-T449 PolarHBondContact O-OG1 2.93Å; A445-T449 VanDerWaalsContact O-OG1 3.08Å
446	R	58	Low	59.1	Low	99 Å²	99	81.5 Å²	81.5	37%	0.374	41%	0.409	S	S	.	.	H	α-helix	trans	-77.2	-43.4	176.6	-71.5	169.2	-174.6	-145.7	-6.5	112.2	P442 N443 A444 E448 T449 A450 V547	P442-R446 WeakPolarHBondContact O-CD 3.36Å; P442-R446 WeakPolarHBondContact O-CG 3.38Å; P442-R446 PolarHBondContact O-NE 2.71Å; N443-R446 PolarHBondContact O-N 3.28Å; A444-R446 VanDerWaalsContact C-N 3.27Å; A444-R446 PolarHBondContact O-N 2.72Å; R446-E448 VanDerWaalsContact C-N 3.27Å; R446-E448 PolarHBondContact O-N 2.88Å; R446-T449 WeakPolarHBondContact O-CB 3.38Å; R446-T449 PolarHBondContact O-N 3.01Å; R446-T449 VanDerWaalsContact O-N 3.12Å; R446-A450 PolarHBondContact O-N 3.26Å; R446-V547 PolarHBondContact NH1-O 3.18Å
447	D	63.8	Low	61	Low	1 Å²	1	77.8 Å²	77.8	1%	0.005	41%	0.406	C	S	.	.	H	α-helix	trans	-60.5	-37.4	173.6	172.7	64.9	0	0	0	111.7	N443 A444 T449 A450 R451 H554 S626	N443-D447 PolarHBondContact O-N 3.48Å; A444-D447 PolarHBondContact O-N 2.96Å; D447-T449 VanDerWaalsContact C-N 3.3Å; D447-T449 PolarHBondContact O-N 3.34Å; D447-A450 PolarHBondContact O-N 3.46Å; D447-R451 WeakPolarHBondContact O-CB 3.5Å; D447-R451 PolarHBondContact O-N 3.25Å; D447-R451 IonicContact OD1-NH2 3.89Å; D447-R451 IonicContact OD2-CZ 2.95Å; D447-R451 IonicContact OD2-NH1 2.81Å; D447-R451 PolarHBondContact OD2-NH1 3Å; D447-R451 VanDerWaalsContact OD2-NH1 3.14Å; D447-R451 IonicContact OD2-NH2 2.59Å; D447-R451 PolarHBondContact OD2-NH2 3.46Å; D447-H554 IonicContact OD1-CG 3.16Å; D447-H554 IonicContact OD1-ND1 2.62Å; D447-H554 PolarHBondContact OD1-ND1 2.85Å; D447-S626 WeakPolarHBondContact OD2-CB 3.48Å; D447-S626 PolarHBondContact OD2-OG 2.91Å
448	E	67.4	Low	63.2	Low	88 Å²	88	76 Å²	76	41%	0.411	39%	0.393	S	S	.	.	H	α-helix	trans	-60.4	-35.9	172.6	-161.1	67.7	-176	0	0	113.2	A444 R446 R451 L452	A444-E448 PolarHBondContact O-N 2.95Å; A444-E448 VanDerWaalsContact O-N 3.11Å; R446-E448 VanDerWaalsContact C-N 3.27Å; R446-E448 PolarHBondContact O-N 2.88Å; E448-R451 IonicContact OE2-CZ 3.06Å; E448-R451 IonicContact OE2-NH1 2.64Å; E448-R451 PolarHBondContact OE2-NH1 3.31Å; E448-L452 VanDerWaalsContact O-CB 3.3Å; E448-L452 WeakPolarHBondContact O-CB 3.47Å; E448-L452 PolarHBondContact O-N 3.39Å
449	T	71.9	Confident	65.6	Low	64 Å²	64	69.4 Å²	69.4	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-66.8	-44.7	178.3	-52.7	0	0	0	0	111.1	A445 R446 D447 L452 E453	A445-T449 PolarHBondContact O-N 3.48Å; A445-T449 PolarHBondContact O-OG1 2.93Å; A445-T449 VanDerWaalsContact O-OG1 3.08Å; R446-T449 WeakPolarHBondContact O-CB 3.38Å; R446-T449 PolarHBondContact O-N 3.01Å; R446-T449 VanDerWaalsContact O-N 3.12Å; D447-T449 VanDerWaalsContact C-N 3.3Å; D447-T449 PolarHBondContact O-N 3.34Å; T449-L452 PolarHBondContact O-N 3.16Å; T449-E453 PolarHBondContact O-N 3.15Å; T449-E453 VanDerWaalsContact O-N 3.1Å
450	A	73.6	Confident	68	Low	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.9	-46.3	176.6	0	0	0	0	0	111.8	R446 D447 L452 E453 E454 I459 Y551 H554	R446-A450 PolarHBondContact O-N 3.26Å; D447-A450 PolarHBondContact O-N 3.46Å; A450-L452 PolarHBondContact O-N 3.29Å; A450-E453 PolarHBondContact O-N 3.35Å; A450-E453 VanDerWaalsContact O-N 3.12Å; A450-E454 PolarHBondContact O-N 3.01Å; A450-I459 HydrophobicContact CB-CD1 4.47Å; A450-I459 WeakPolarHBondContact O-CD1 3.5Å; A450-Y551 HydrophobicContact CB-CD1 3.79Å; A450-Y551 HydrophobicContact CB-CE1 4.18Å; A450-H554 HydrophobicContact CB-CB 3.89Å
451	R	76.1	Confident	70.5	Confident	30 Å²	30	66.6 Å²	66.6	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-57.7	-36.6	175.8	-174.4	-173.5	-70.1	96	14.5	112.5	D447 E448 E454 R455 T623	D447-R451 WeakPolarHBondContact O-CB 3.5Å; D447-R451 PolarHBondContact O-N 3.25Å; D447-R451 IonicContact OD1-NH2 3.89Å; D447-R451 IonicContact OD2-CZ 2.95Å; D447-R451 IonicContact OD2-NH1 2.81Å; D447-R451 PolarHBondContact OD2-NH1 3Å; D447-R451 VanDerWaalsContact OD2-NH1 3.14Å; D447-R451 IonicContact OD2-NH2 2.59Å; D447-R451 PolarHBondContact OD2-NH2 3.46Å; E448-R451 IonicContact OE2-CZ 3.06Å; E448-R451 IonicContact OE2-NH1 2.64Å; E448-R451 PolarHBondContact OE2-NH1 3.31Å; R451-E454 PolarHBondContact O-N 3.34Å; R451-R455 WeakPolarHBondContact O-CB 3.36Å; R451-R455 PolarHBondContact O-N 2.89Å; R451-T623 PolarHBondContact NE-O 2.75Å; R451-T623 PolarHBondContact NH2-O 3.22Å
452	L	76.5	Confident	72.6	Confident	79 Å²	79	64.8 Å²	64.8	41%	0.414	32%	0.323	S	S	.	.	H	α-helix	trans	-76.8	-27.6	179.6	-161.5	135.4	0	0	0	112.6	E448 T449 A450 R456	E448-L452 VanDerWaalsContact O-CB 3.3Å; E448-L452 WeakPolarHBondContact O-CB 3.47Å; E448-L452 PolarHBondContact O-N 3.39Å; T449-L452 PolarHBondContact O-N 3.16Å; A450-L452 PolarHBondContact O-N 3.29Å; L452-R456 WeakPolarHBondContact O-CB 3.48Å; L452-R456 WeakPolarHBondContact O-CD 3.49Å; L452-R456 VanDerWaalsContact O-CG 3.22Å; L452-R456 WeakPolarHBondContact O-CG 3.33Å; L452-R456 PolarHBondContact O-N 2.85Å
453	E	81.1	Confident	74.8	Confident	25 Å²	25	64.1 Å²	64.1	12%	0.117	32%	0.318	C	S	.	.	H	α-helix	trans	-72.9	-36.9	168.1	-72.6	-178.8	-169	0	0	112.3	T449 A450 R456 G457 I458 I459 K549 Y551	T449-E453 PolarHBondContact O-N 3.15Å; T449-E453 VanDerWaalsContact O-N 3.1Å; A450-E453 PolarHBondContact O-N 3.35Å; A450-E453 VanDerWaalsContact O-N 3.12Å; E453-R456 PolarHBondContact O-N 2.8Å; E453-G457 PolarHBondContact O-N 2.91Å; E453-I458 HydrophobicContact CB-CB 4.27Å; E453-I458 HydrophobicContact CG-CD1 4.33Å; E453-I458 PolarHBondContact O-N 2.64Å; E453-I459 HydrophobicContact CB-CD1 4.28Å; E453-I459 HydrophobicContact CB-CG1 4.36Å; E453-I459 HydrophobicContact CB-CG2 4.36Å; E453-K549 IonicContact OE1-NZ 3.42Å; E453-K549 PolarHBondContact OE1-NZ 3.37Å; E453-K549 IonicContact OE2-NZ 2.66Å; E453-K549 PolarHBondContact OE2-NZ 2.61Å; E453-Y551 PolarHBondContact OE2-OH 3.01Å
454	E	83.3	Confident	77	Confident	62 Å²	62	61.3 Å²	61.3	29%	0.29	30%	0.303	S	S	.	.	H	α-helix	trans	-63	-48.9	172.9	180	177.3	-137.7	0	0	110.9	A450 R451 R456 G457 I459 F461 H554 H558	A450-E454 PolarHBondContact O-N 3.01Å; R451-E454 PolarHBondContact O-N 3.34Å; E454-R456 PolarHBondContact O-N 3.14Å; E454-R456 VanDerWaalsContact O-N 3.13Å; E454-G457 PolarHBondContact O-N 3.19Å; E454-I459 HydrophobicContact CB-CD1 4.14Å; E454-I459 HydrophobicContact CB-CG1 3.84Å; E454-F461 VanDerWaalsContact OE1-CD2 3.32Å; E454-F461 WeakPolarHBondContact OE1-CD2 3.44Å; E454-H554 IonicContact OE2-CE1 3.93Å; E454-H554 IonicContact OE2-NE2 2.97Å; E454-H554 PolarHBondContact OE2-NE2 3.13Å; E454-H554 VanDerWaalsContact OE2-NE2 3.16Å; E454-H558 IonicContact OE1-CE1 2.63Å; E454-H558 PolarHBondContact OE1-CE1 2.97Å; E454-H558 IonicContact OE1-NE2 3.05Å; E454-H558 PolarHBondContact OE1-NE2 3.41Å; E454-H558 IonicContact OE2-CE1 3.7Å; E454-H558 IonicContact OE2-NE2 3.73Å; E454-H558 PolarHBondContact OE2-NE2 2.97Å
455	R	81.6	Confident	78.7	Confident	211 Å²	211	61.6 Å²	61.6	80%	0.796	31%	0.308	S	S	*	.	H	α-helix	trans	-59.3	-26.4	175.7	-171.9	-176.2	-67.1	-170	-1.5	113.1	R451	R451-R455 WeakPolarHBondContact O-CB 3.36Å; R451-R455 PolarHBondContact O-N 2.89Å
456	R	82.9	Confident	80.2	Confident	181 Å²	181	61.2 Å²	61.2	68%	0.683	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.2	175.9	-74.5	174.4	177.1	-166.8	-0.3	113.6	L452 E453 E454 I458	L452-R456 WeakPolarHBondContact O-CB 3.48Å; L452-R456 WeakPolarHBondContact O-CD 3.49Å; L452-R456 VanDerWaalsContact O-CG 3.22Å; L452-R456 WeakPolarHBondContact O-CG 3.33Å; L452-R456 PolarHBondContact O-N 2.85Å; E453-R456 PolarHBondContact O-N 2.8Å; E454-R456 PolarHBondContact O-N 3.14Å; E454-R456 VanDerWaalsContact O-N 3.13Å; R456-I458 VanDerWaalsContact C-N 3.27Å; R456-I458 HydrophobicContact CB-CD1 3.89Å; R456-I458 HydrophobicContact CB-CG1 4Å; R456-I458 PolarHBondContact O-N 3.43Å
457	G	80.8	Confident	81	Confident	55 Å²	55	59.9 Å²	59.9	57%	0.567	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	18.4	-177	0	0	0	0	0	114.4	E453 E454	E453-G457 PolarHBondContact O-N 2.91Å; E454-G457 PolarHBondContact O-N 3.19Å
458	I	84.3	Confident	81.2	Confident	55 Å²	55	67 Å²	67	28%	0.282	34%	0.341	S	S	.	.	S	Bend	trans	-80.9	-33.9	179.8	-61.8	168.8	0	0	0	110.6	E453 R456 K515	E453-I458 HydrophobicContact CB-CB 4.27Å; E453-I458 HydrophobicContact CG-CD1 4.33Å; E453-I458 PolarHBondContact O-N 2.64Å; R456-I458 VanDerWaalsContact C-N 3.27Å; R456-I458 HydrophobicContact CB-CD1 3.89Å; R456-I458 HydrophobicContact CB-CG1 4Å; R456-I458 PolarHBondContact O-N 3.43Å; I458-K515 HydrophobicContact CG2-CG 4.29Å; I458-K515 WeakPolarHBondContact O-CA 3.3Å
459	I	87.9	Confident	81.2	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.021	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146	177.4	71	-179.7	0	0	0	110.8	A450 E453 E454 F461 L513 I514 K515 Y551	A450-I459 HydrophobicContact CB-CD1 4.47Å; A450-I459 WeakPolarHBondContact O-CD1 3.5Å; E453-I459 HydrophobicContact CB-CD1 4.28Å; E453-I459 HydrophobicContact CB-CG1 4.36Å; E453-I459 HydrophobicContact CB-CG2 4.36Å; E454-I459 HydrophobicContact CB-CD1 4.14Å; E454-I459 HydrophobicContact CB-CG1 3.84Å; I459-F461 HydrophobicContact CD1-CE2 4.22Å; I459-L513 HydrophobicContact CB-CD1 3.96Å; I459-L513 HydrophobicContact CD1-CD1 4.28Å; I459-L513 HydrophobicContact CG1-CD1 4.41Å; I459-I514 CarbonylContact C-O 3.57Å; I459-I514 VanDerWaalsContact CA-O 3.27Å; I459-I514 WeakPolarHBondContact CA-O 3.46Å; I459-K515 HydrophobicContact CG2-CB 4Å; I459-K515 HydrophobicContact CG2-CD 4.08Å; I459-K515 HydrophobicContact CG2-CG 3.99Å; I459-Y551 HydrophobicContact CD1-CD1 4.15Å; I459-Y551 HydrophobicContact CD1-CE1 3.91Å; I459-Y551 HydrophobicContact CG2-CE1 4.17Å
460	E	87.6	Confident	80.3	Confident	96 Å²	96	72.8 Å²	72.8	45%	0.449	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.3	179.2	-62.1	-177.3	-177.8	0	0	111	H462 I514	E460-H462 IonicContact OE2-CD2 2.74Å; E460-H462 IonicContact OE2-CE1 3.2Å; E460-H462 IonicContact OE2-NE2 3.37Å; E460-H462 PolarHBondContact OE2-NE2 3.44Å; E460-I514 PolarHBondContact N-O 3.26Å; E460-I514 PolarHBondContact O-N 2.89Å
461	F	89.6	Confident	79.6	Confident	36 Å²	36	82.2 Å²	82.2	16%	0.158	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121	176.3	-70	-84.3	0	0	0	110.9	E454 I459 L511 A512 L513 H554 L555 H558	E454-F461 VanDerWaalsContact OE1-CD2 3.32Å; E454-F461 WeakPolarHBondContact OE1-CD2 3.44Å; I459-F461 HydrophobicContact CD1-CE2 4.22Å; F461-L511 HydrophobicContact CB-CD1 4.31Å; F461-A512 WeakPolarHBondContact CA-O 3.44Å; F461-L513 HydrophobicContact CD1-CB 4.4Å; F461-L513 HydrophobicContact CD1-CD1 4.11Å; F461-L513 HydrophobicContact CE1-CB 4.15Å; F461-L513 HydrophobicContact CE1-CD1 3.64Å; F461-L513 HydrophobicContact CE1-CD2 4.44Å; F461-L513 HydrophobicContact CE1-CG 4.26Å; F461-L513 HydrophobicContact CE2-CD1 4.07Å; F461-L513 HydrophobicContact CZ-CD1 3.62Å; F461-H554 AromaticContact CE2-CD2 3.57Å; F461-H554 AromaticContact CZ-CD2 3.53Å; F461-L555 HydrophobicContact CD1-CD1 3.86Å; F461-L555 HydrophobicContact CE1-CB 4.03Å; F461-L555 HydrophobicContact CE1-CD1 3.67Å; F461-L555 HydrophobicContact CE1-CG 4.47Å; F461-H558 HydrophobicContact CD1-CB 4.39Å; F461-H558 AromaticContact CD2-CD2 3.57Å; F461-H558 AromaticContact CD2-NE2 3.5Å; F461-H558 AromaticContact CE2-CD2 3.41Å; F461-H558 VanDerWaalsContact CE2-CD2 3.41Å; F461-H558 WeakPolarHBondContact CE2-CD2 3.37Å; F461-H558 AromaticContact CE2-NE2 3.46Å; F461-H558 WeakPolarHBondContact CE2-NE2 3.27Å; F461-H558 AromaticContact CG-CD2 3.95Å; F461-H558 AromaticContact CZ-CD2 3.64Å
462	H	89.2	Confident	78.8	Confident	64 Å²	64	84.7 Å²	84.7	30%	0.296	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.5	-179	-70.4	-94.8	0	0	0	111	E460 I464 W479 A512 I514	E460-H462 IonicContact OE2-CD2 2.74Å; E460-H462 IonicContact OE2-CE1 3.2Å; E460-H462 IonicContact OE2-NE2 3.37Å; E460-H462 PolarHBondContact OE2-NE2 3.44Å; H462-I464 HydrophobicContact CB-CG2 4.16Å; H462-I464 PolarHBondContact O-N 2.66Å; H462-W479 HydrophobicContact CB-CZ3 4.45Å; H462-A512 PolarHBondContact N-O 3.36Å; H462-A512 WeakPolarHBondContact O-CB 3.28Å; H462-A512 PolarHBondContact O-N 2.96Å; H462-I514 HydrophobicContact CB-CD1 4.37Å
463	V	90.3	Very high	78.6	Confident	56 Å²	56	85.2 Å²	85.2	34%	0.339	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	109.2	169.6	179.5	0	0	0	0	108.3	K509 L511 F525 Y562	V463-K509 HydrophobicContact CG1-CB 4.3Å; V463-K509 HydrophobicContact CG1-CD 4.19Å; V463-L511 HydrophobicContact CG2-CD1 3.65Å; V463-F525 HydrophobicContact CG1-CZ 4.24Å; V463-Y562 HydrophobicContact CB-CE2 4.41Å; V463-Y562 HydrophobicContact CG1-CE1 4.34Å; V463-Y562 HydrophobicContact CG1-CE2 4.35Å; V463-Y562 HydrophobicContact CG2-CD2 3.95Å; V463-Y562 HydrophobicContact CG2-CE2 3.95Å; V463-Y562 HydrophobicContact CG2-CG 4.25Å
464	I	90.1	Very high	78.6	Confident	9 Å²	9	92.5 Å²	92.5	5%	0.046	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	155.1	-179.9	63.3	176.7	0	0	0	111.5	H462 I476 W479 L480 L483 K509 T510 A512	H462-I464 HydrophobicContact CB-CG2 4.16Å; H462-I464 PolarHBondContact O-N 2.66Å; I464-I476 HydrophobicContact CB-CG2 4.04Å; I464-I476 HydrophobicContact CG2-CG2 4.24Å; I464-W479 HydrophobicContact CD1-CB 3.69Å; I464-W479 HydrophobicContact CG2-CE3 4.13Å; I464-L480 HydrophobicContact CD1-CD2 3.76Å; I464-L480 HydrophobicContact CD1-CG 3.87Å; I464-L480 HydrophobicContact CG1-CD2 3.93Å; I464-L480 HydrophobicContact CG1-CG 4.43Å; I464-L483 HydrophobicContact CD1-CD1 3.72Å; I464-L483 HydrophobicContact CG1-CD1 4.34Å; I464-K509 CarbonylContact O-C 3.56Å; I464-K509 WeakPolarHBondContact O-CA 3.42Å; I464-T510 WeakPolarHBondContact CG1-O 3.19Å; I464-T510 PolarHBondContact N-O 2.97Å; I464-T510 PolarHBondContact O-N 2.91Å; I464-A512 HydrophobicContact CD1-CB 4.05Å; I464-A512 HydrophobicContact CG1-CB 4.27Å
465	G	85.7	Confident	78.6	Confident	28 Å²	28	96.1 Å²	96.1	29%	0.289	48%	0.484	S	S	.	.			trans	-154.9	156.1	174.1	0	0	0	0	0	109.2	S467	G465-S467 PolarHBondContact O-N 3.41Å
466	N	82.8	Confident	78.8	Confident	42 Å²	42	88.7 Å²	88.7	23%	0.225	46%	0.46	C	S	.	.			trans	-71.9	128	173.9	-169.4	19.7	0	0	0	109.3	L480 F504 P506	N466-L480 HydrophobicContact CB-CD1 4.35Å; N466-F504 WeakPolarHBondContact CB-O 3.17Å; N466-F504 PolarHBondContact ND2-O 3.18Å; N466-P506 WeakPolarHBondContact O-CA 3.1Å; N466-P506 WeakPolarHBondContact O-CB 3.5Å
467	S	74.9	Confident	78.9	Confident	72 Å²	72	83.8 Å²	83.8	50%	0.503	45%	0.447	S	S	.	.			trans	-115.9	127	174.4	-177.7	0	0	0	0	108.3	G465 S469	G465-S467 PolarHBondContact O-N 3.41Å; S467-S469 PolarHBondContact O-N 2.77Å
468	L	68.8	Low	79.2	Confident	149 Å²	149	87.8 Å²	87.8	78%	0.78	45%	0.452	S	S	*	.			trans	-73.7	11	178.4	-60.4	175.4	0	0	0	112.8	P506	L468-P506 HydrophobicContact CD1-CG 4.23Å; L468-P506 HydrophobicContact CG-CG 4.41Å
469	S	65.9	Low	79.5	Confident	71 Å²	71	87.4 Å²	87.4	50%	0.497	45%	0.448	S	S	.	.	S	Bend	trans	-77.7	147.7	179.1	90	0	0	0	0	112.3	S467 K471	S467-S469 PolarHBondContact O-N 2.77Å; S469-K471 PolarHBondContact O-N 3.39Å
470	Q	53.3	Low	79.6	Confident	203 Å²	203	87.3 Å²	87.3	95%	0.949	45%	0.447	S	S	*	.	S	Bend	trans	-67.4	-7.6	-165	-147.4	171.5	9.5	0	0	115.5
471	K	58.5	Low	79.7	Confident	198 Å²	198	85.6 Å²	85.6	86%	0.861	44%	0.443	S	S	*	.	S	Bend	trans	-115.1	69.8	174.5	-71.9	-174.4	178.6	178.6	0	110.6	S469 N473	S469-K471 PolarHBondContact O-N 3.39Å; K471-N473 PolarHBondContact O-N 2.66Å
472	S	60.3	Low	79.8	Confident	82 Å²	82	84.8 Å²	84.8	57%	0.573	45%	0.445	S	S	*	.			trans	-65.4	118.4	174.9	56.7	0	0	0	0	111	K474	S472-K474 PolarHBondContact O-N 3.14Å; S472-K474 VanDerWaalsContact O-N 3.15Å
473	N	72.9	Confident	79.8	Confident	91 Å²	91	81.7 Å²	81.7	49%	0.487	43%	0.43	S	S	.	.			trans	-69.4	112.8	177.4	-176.7	-17.3	0	0	0	109.3	K471 K475 I476 L477	K471-N473 PolarHBondContact O-N 2.66Å; N473-K475 PolarHBondContact O-N 2.95Å; N473-K475 PolarHBondContact OD1-N 2.87Å; N473-I476 HydrophobicContact CB-CB 4.44Å; N473-I476 HydrophobicContact CB-CD1 3.96Å; N473-I476 HydrophobicContact CB-CG1 4.05Å; N473-I476 WeakPolarHBondContact O-CB 3.21Å; N473-I476 PolarHBondContact O-N 2.9Å; N473-L477 PolarHBondContact O-N 2.98Å
474	K	80.7	Confident	79.9	Confident	177 Å²	177	80.2 Å²	80.2	77%	0.77	42%	0.42	S	S	*	.	H	α-helix	trans	-51.1	-35.1	-176.7	-68.1	-175.6	177.7	-178.8	0	113	S472 L477 M478	S472-K474 PolarHBondContact O-N 3.14Å; S472-K474 VanDerWaalsContact O-N 3.15Å; K474-L477 PolarHBondContact O-N 2.59Å; K474-M478 WeakPolarHBondContact O-CG 3.39Å; K474-M478 PolarHBondContact O-N 2.97Å
475	K	83.3	Confident	80	Confident	138 Å²	138	82.7 Å²	82.7	60%	0.6	43%	0.433	S	S	*	.	H	α-helix	trans	-62.9	-43.5	176.6	-69.2	-172.9	176.1	-175.8	0	112.5	N473 L477 M478 W479	N473-K475 PolarHBondContact O-N 2.95Å; N473-K475 PolarHBondContact OD1-N 2.87Å; K475-L477 VanDerWaalsContact C-N 3.34Å; K475-L477 PolarHBondContact O-N 3.37Å; K475-M478 PolarHBondContact O-N 3.01Å; K475-W479 HydrophobicContact CB-CZ2 4.42Å; K475-W479 VanDerWaalsContact O-CG 3.24Å; K475-W479 PolarHBondContact O-N 3.33Å
476	I	84.8	Confident	80.2	Confident	55 Å²	55	82 Å²	82	28%	0.282	42%	0.423	S	S	.	.	H	α-helix	trans	-63.8	-42.6	179.5	-62.7	179.9	0	0	0	110.3	I464 N473 W479 L480	I464-I476 HydrophobicContact CB-CG2 4.04Å; I464-I476 HydrophobicContact CG2-CG2 4.24Å; N473-I476 HydrophobicContact CB-CB 4.44Å; N473-I476 HydrophobicContact CB-CD1 3.96Å; N473-I476 HydrophobicContact CB-CG1 4.05Å; N473-I476 WeakPolarHBondContact O-CB 3.21Å; N473-I476 PolarHBondContact O-N 2.9Å; I476-W479 HydrophobicContact CG1-CE3 4.48Å; I476-W479 PolarHBondContact O-N 2.8Å; I476-L480 HydrophobicContact CG2-CD1 4.22Å; I476-L480 WeakPolarHBondContact O-CG 3.48Å; I476-L480 PolarHBondContact O-N 3.41Å
477	L	85.8	Confident	80.6	Confident	79 Å²	79	80 Å²	80	41%	0.414	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-42.5	177.6	-165.4	73.3	0	0	0	111.6	N473 K474 K475 W479 L480 V481 F504	N473-L477 PolarHBondContact O-N 2.98Å; K474-L477 PolarHBondContact O-N 2.59Å; K475-L477 VanDerWaalsContact C-N 3.34Å; K475-L477 PolarHBondContact O-N 3.37Å; L477-W479 VanDerWaalsContact C-N 3.31Å; L477-W479 PolarHBondContact O-N 3.2Å; L477-L480 PolarHBondContact O-N 2.9Å; L477-V481 WeakPolarHBondContact O-CG2 3.37Å; L477-V481 PolarHBondContact O-N 2.95Å; L477-F504 HydrophobicContact CD1-CD1 4.38Å; L477-F504 HydrophobicContact CD1-CE1 3.84Å
478	M	87.2	Confident	81.3	Confident	138 Å²	138	78 Å²	78	68%	0.68	40%	0.399	S	S	*	.	H	α-helix	trans	-59.6	-39.8	173.5	-72.3	177.2	70	0	0	112.3	K474 K475 G482	K474-M478 WeakPolarHBondContact O-CG 3.39Å; K474-M478 PolarHBondContact O-N 2.97Å; K475-M478 PolarHBondContact O-N 3.01Å; M478-G482 PolarHBondContact O-N 3.17Å
479	W	90.3	Very high	82.2	Confident	48 Å²	48	77.7 Å²	77.7	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-69.1	-38.8	176.4	-62.3	-27.5	0	0	0	112.8	H462 I464 K475 I476 L477 G482 L483 I514 V519	H462-W479 HydrophobicContact CB-CZ3 4.45Å; I464-W479 HydrophobicContact CD1-CB 3.69Å; I464-W479 HydrophobicContact CG2-CE3 4.13Å; K475-W479 HydrophobicContact CB-CZ2 4.42Å; K475-W479 VanDerWaalsContact O-CG 3.24Å; K475-W479 PolarHBondContact O-N 3.33Å; I476-W479 HydrophobicContact CG1-CE3 4.48Å; I476-W479 PolarHBondContact O-N 2.8Å; L477-W479 VanDerWaalsContact C-N 3.31Å; L477-W479 PolarHBondContact O-N 3.2Å; W479-G482 PolarHBondContact O-N 3.07Å; W479-L483 WeakPolarHBondContact O-CD1 3.34Å; W479-L483 VanDerWaalsContact O-CG 3.31Å; W479-L483 WeakPolarHBondContact O-CG 3.43Å; W479-L483 PolarHBondContact O-N 2.64Å; W479-I514 HydrophobicContact CD2-CD1 3.49Å; W479-I514 VanDerWaalsContact CD2-CD1 3.49Å; W479-I514 VanDerWaalsContact CE2-CD1 3.4Å; W479-I514 HydrophobicContact CE3-CD1 3.79Å; W479-I514 HydrophobicContact CG-CD1 3.97Å; W479-I514 HydrophobicContact CH2-CD1 3.9Å; W479-I514 HydrophobicContact CZ2-CD1 3.64Å; W479-I514 HydrophobicContact CZ3-CD1 3.98Å; W479-V519 HydrophobicContact CB-CG2 4.06Å; W479-V519 HydrophobicContact CG-CG2 4.29Å
480	L	90.3	Very high	83.2	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-63.2	-42.3	173.4	-71.3	170.6	0	0	0	112.1	I464 N466 I476 L477 L483 Q484 V503 F504	I464-L480 HydrophobicContact CD1-CD2 3.76Å; I464-L480 HydrophobicContact CD1-CG 3.87Å; I464-L480 HydrophobicContact CG1-CD2 3.93Å; I464-L480 HydrophobicContact CG1-CG 4.43Å; N466-L480 HydrophobicContact CB-CD1 4.35Å; I476-L480 HydrophobicContact CG2-CD1 4.22Å; I476-L480 WeakPolarHBondContact O-CG 3.48Å; I476-L480 PolarHBondContact O-N 3.41Å; L477-L480 PolarHBondContact O-N 2.9Å; L480-L483 PolarHBondContact O-N 3.5Å; L480-Q484 WeakPolarHBondContact O-CB 3.32Å; L480-Q484 PolarHBondContact O-N 3.33Å; L480-V503 HydrophobicContact CB-CG1 4.42Å; L480-V503 HydrophobicContact CD2-CG1 3.99Å; L480-F504 HydrophobicContact CB-CD1 4.27Å; L480-F504 HydrophobicContact CB-CE1 3.54Å; L480-F504 HydrophobicContact CB-CZ 3.89Å; L480-F504 HydrophobicContact CD1-CD1 4.18Å; L480-F504 HydrophobicContact CD1-CE1 4.12Å; L480-F504 HydrophobicContact CG-CE1 4.45Å
481	V	90.2	Very high	84.7	Confident	60 Å²	60	68.9 Å²	68.9	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-63.5	-41	172.9	173.9	0	0	0	0	111.2	L477 L483 Q484 N485 F504	L477-V481 WeakPolarHBondContact O-CG2 3.37Å; L477-V481 PolarHBondContact O-N 2.95Å; V481-L483 PolarHBondContact O-N 3.32Å; V481-Q484 PolarHBondContact O-N 3.44Å; V481-N485 PolarHBondContact O-N 2.96Å; V481-N485 PolarHBondContact O-ND2 3.05Å; V481-F504 HydrophobicContact CG2-CE1 4.5Å; V481-F504 HydrophobicContact CG2-CZ 3.81Å
482	G	90.1	Very high	85.6	Confident	19 Å²	19	65 Å²	65	20%	0.196	34%	0.34	C	S	.	.	H	α-helix	trans	-57.8	-47.3	173	0	0	0	0	0	112.4	M478 W479 N485 V486	M478-G482 PolarHBondContact O-N 3.17Å; W479-G482 PolarHBondContact O-N 3.07Å; G482-N485 PolarHBondContact O-N 3.33Å; G482-V486 WeakPolarHBondContact O-CG2 3.24Å; G482-V486 PolarHBondContact O-N 3.45Å
483	L	90.9	Very high	86.6	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-65.5	-43.7	178.4	-73.1	159.1	0	0	0	112.5	I464 W479 L480 V481 N485 V486 F487 T510 A512 V519 G521	I464-L483 HydrophobicContact CD1-CD1 3.72Å; I464-L483 HydrophobicContact CG1-CD1 4.34Å; W479-L483 WeakPolarHBondContact O-CD1 3.34Å; W479-L483 VanDerWaalsContact O-CG 3.31Å; W479-L483 WeakPolarHBondContact O-CG 3.43Å; W479-L483 PolarHBondContact O-N 2.64Å; L480-L483 PolarHBondContact O-N 3.5Å; V481-L483 PolarHBondContact O-N 3.32Å; L483-N485 VanDerWaalsContact C-N 3.28Å; L483-N485 PolarHBondContact O-N 2.92Å; L483-V486 PolarHBondContact O-N 2.95Å; L483-V486 VanDerWaalsContact O-N 3.13Å; L483-F487 HydrophobicContact CB-CD2 4.38Å; L483-F487 HydrophobicContact CB-CE2 4.01Å; L483-F487 HydrophobicContact CD2-CZ 4.5Å; L483-F487 WeakPolarHBondContact O-CD2 3.49Å; L483-F487 WeakPolarHBondContact O-CG 3.47Å; L483-F487 PolarHBondContact O-N 2.8Å; L483-T510 HydrophobicContact CD1-CG2 3.66Å; L483-T510 HydrophobicContact CD2-CG2 4.24Å; L483-T510 HydrophobicContact CG-CG2 4.39Å; L483-A512 HydrophobicContact CD1-CB 3.72Å; L483-V519 HydrophobicContact CD2-CG1 3.52Å; L483-V519 HydrophobicContact CG-CG1 3.64Å; L483-G521 WeakPolarHBondContact CD2-O 3.45Å
484	Q	92.3	Very high	87.1	Confident	24 Å²	24	65.4 Å²	65.4	11%	0.112	32%	0.324	C	S	.	.	H	α-helix	trans	-54.4	-45.5	173.3	177.7	-132.2	2.6	0	0	111	L480 V481 S488 I499 T500 F504	L480-Q484 WeakPolarHBondContact O-CB 3.32Å; L480-Q484 PolarHBondContact O-N 3.33Å; V481-Q484 PolarHBondContact O-N 3.44Å; Q484-S488 VanDerWaalsContact O-CB 3.27Å; Q484-S488 WeakPolarHBondContact O-CB 3.42Å; Q484-S488 PolarHBondContact O-N 2.98Å; Q484-I499 HydrophobicContact CG-CG2 4.43Å; Q484-T500 PolarHBondContact NE2-OG1 2.77Å; Q484-F504 HydrophobicContact CB-CE2 4.36Å; Q484-F504 HydrophobicContact CG-CE2 4.48Å
485	N	90.3	Very high	87.4	Confident	61 Å²	61	60.5 Å²	60.5	33%	0.326	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-42.7	175.7	-74.8	-35.1	0	0	0	112.3	V481 G482 L483 S488 H489	V481-N485 PolarHBondContact O-N 2.96Å; V481-N485 PolarHBondContact O-ND2 3.05Å; G482-N485 PolarHBondContact O-N 3.33Å; L483-N485 VanDerWaalsContact C-N 3.28Å; L483-N485 PolarHBondContact O-N 2.92Å; N485-S488 PolarHBondContact O-N 2.84Å; N485-H489 PolarHBondContact O-N 3.35Å; N485-H489 VanDerWaalsContact O-N 3.12Å; N485-H489 PolarHBondContact O-ND1 3.5Å
486	V	90.3	Very high	87.6	Confident	14 Å²	14	58.4 Å²	58.4	9%	0.085	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-48.5	175.9	174.3	0	0	0	0	111.2	G482 L483 S488 H489 Q490 V519 A540 T542	G482-V486 WeakPolarHBondContact O-CG2 3.24Å; G482-V486 PolarHBondContact O-N 3.45Å; L483-V486 PolarHBondContact O-N 2.95Å; L483-V486 VanDerWaalsContact O-N 3.13Å; V486-S488 PolarHBondContact O-N 3.27Å; V486-H489 PolarHBondContact O-N 3.16Å; V486-Q490 HydrophobicContact CG1-CG 4.2Å; V486-Q490 WeakPolarHBondContact O-CB 3.46Å; V486-Q490 VanDerWaalsContact O-CG 3.28Å; V486-Q490 WeakPolarHBondContact O-CG 3.29Å; V486-Q490 PolarHBondContact O-N 3.1Å; V486-V519 HydrophobicContact CG2-CG1 4.32Å; V486-A540 HydrophobicContact CG1-CB 4.33Å; V486-T542 HydrophobicContact CG1-CG2 4.04Å; V486-T542 HydrophobicContact CG2-CG2 3.73Å
487	F	91.6	Very high	87.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-44.8	177	-65.4	-49.1	0	0	0	111.7	L483 H489 Q490 L491 I499 V503 T510 G522 C524 F538 A540	L483-F487 HydrophobicContact CB-CD2 4.38Å; L483-F487 HydrophobicContact CB-CE2 4.01Å; L483-F487 HydrophobicContact CD2-CZ 4.5Å; L483-F487 WeakPolarHBondContact O-CD2 3.49Å; L483-F487 WeakPolarHBondContact O-CG 3.47Å; L483-F487 PolarHBondContact O-N 2.8Å; F487-H489 VanDerWaalsContact C-N 3.27Å; F487-H489 PolarHBondContact O-N 2.98Å; F487-Q490 PolarHBondContact O-N 3.37Å; F487-L491 HydrophobicContact CD1-CD1 4.35Å; F487-L491 WeakPolarHBondContact O-CB 3.36Å; F487-L491 PolarHBondContact O-N 2.8Å; F487-I499 HydrophobicContact CB-CD1 4.29Å; F487-I499 HydrophobicContact CB-CG2 3.72Å; F487-I499 HydrophobicContact CD2-CG2 4.37Å; F487-I499 HydrophobicContact CG-CG2 4.49Å; F487-V503 HydrophobicContact CD2-CG2 3.8Å; F487-V503 HydrophobicContact CE2-CG2 4Å; F487-T510 HydrophobicContact CE2-CG2 4.15Å; F487-T510 HydrophobicContact CZ-CG2 4.12Å; F487-G522 WeakPolarHBondContact CE1-O 3.18Å; F487-C524 HydrophobicContact CE2-CB 4.18Å; F487-C524 HydrophobicContact CZ-CB 4.16Å; F487-F538 HydrophobicContact CD1-CB 3.67Å; F487-F538 HydrophobicContact CD1-CG 4.45Å; F487-F538 HydrophobicContact CD2-CB 4.41Å; F487-F538 HydrophobicContact CD2-CD2 4.32Å; F487-F538 HydrophobicContact CE1-CB 3.59Å; F487-F538 HydrophobicContact CE2-CB 4.33Å; F487-F538 HydrophobicContact CG-CB 4.12Å; F487-F538 HydrophobicContact CG-CG 4.46Å; F487-F538 HydrophobicContact CZ-CB 3.95Å; F487-A540 HydrophobicContact CD1-CB 3.61Å; F487-A540 HydrophobicContact CE1-CB 3.92Å
488	S	90.2	Very high	88	Confident	30 Å²	30	60.6 Å²	60.6	21%	0.21	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-28.4	-179.8	-172.9	0	0	0	0	114	Q484 N485 V486	Q484-S488 VanDerWaalsContact O-CB 3.27Å; Q484-S488 WeakPolarHBondContact O-CB 3.42Å; Q484-S488 PolarHBondContact O-N 2.98Å; N485-S488 PolarHBondContact O-N 2.84Å; V486-S488 PolarHBondContact O-N 3.27Å
489	H	87.4	Confident	88.1	Confident	142 Å²	142	54 Å²	54	66%	0.657	27%	0.274	S	S	*	.	H	α-helix	trans	-87.5	-34	176.1	-72.2	82.4	0	0	0	112.9	N485 V486 F487	N485-H489 PolarHBondContact O-N 3.35Å; N485-H489 VanDerWaalsContact O-N 3.12Å; N485-H489 PolarHBondContact O-ND1 3.5Å; V486-H489 PolarHBondContact O-N 3.16Å; F487-H489 VanDerWaalsContact C-N 3.27Å; F487-H489 PolarHBondContact O-N 2.98Å
490	Q	86.3	Confident	88.1	Confident	54 Å²	54	53.7 Å²	53.7	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-88.3	-18.2	-176.4	-58.9	-59.3	-48.8	0	0	113.5	V486 F487 P492 A540 S543	V486-Q490 HydrophobicContact CG1-CG 4.2Å; V486-Q490 WeakPolarHBondContact O-CB 3.46Å; V486-Q490 VanDerWaalsContact O-CG 3.28Å; V486-Q490 WeakPolarHBondContact O-CG 3.29Å; V486-Q490 PolarHBondContact O-N 3.1Å; F487-Q490 PolarHBondContact O-N 3.37Å; Q490-P492 VanDerWaalsContact C-CD 3.45Å; Q490-P492 WeakPolarHBondContact O-CD 3.28Å; Q490-A540 HydrophobicContact CB-CB 3.84Å; Q490-A540 HydrophobicContact CG-CB 4.2Å; Q490-S543 VanDerWaalsContact CD-OG 3.3Å; Q490-S543 PolarHBondContact NE2-OG 3.41Å; Q490-S543 PolarHBondContact OE1-OG 3.46Å
491	L	85.6	Confident	88.2	Confident	36 Å²	36	61.2 Å²	61.2	19%	0.188	31%	0.306	C	S	.	.			trans	-120.7	67.4	-178.6	-57.8	175.2	0	0	0	111.2	F487 R493 M494 F538	F487-L491 HydrophobicContact CD1-CD1 4.35Å; F487-L491 WeakPolarHBondContact O-CB 3.36Å; F487-L491 PolarHBondContact O-N 2.8Å; L491-R493 PolarHBondContact O-N 3.07Å; L491-R493 VanDerWaalsContact O-N 3.08Å; L491-M494 HydrophobicContact CB-CB 4.29Å; L491-M494 HydrophobicContact CB-CG 4.21Å; L491-M494 PolarHBondContact O-N 3.23Å; L491-F538 HydrophobicContact CD1-CB 4.15Å; L491-F538 HydrophobicContact CD1-CD1 3.77Å; L491-F538 HydrophobicContact CD1-CG 4.26Å
492	P	78.1	Confident	88.2	Confident	116 Å²	116	58.7 Å²	58.7	75%	0.753	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.4	-172.9	27.8	-36.9	0	0	0	114.6	Q490 M494	Q490-P492 VanDerWaalsContact C-CD 3.45Å; Q490-P492 WeakPolarHBondContact O-CD 3.28Å; P492-M494 VanDerWaalsContact C-N 3.3Å
493	R	80.6	Confident	88.2	Confident	145 Å²	145	57.8 Å²	57.8	55%	0.547	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.8	172.9	-69.1	-175.1	174.8	-176.3	-1.2	113.5	L491	L491-R493 PolarHBondContact O-N 3.07Å; L491-R493 VanDerWaalsContact O-N 3.08Å
494	M	83.4	Confident	88.2	Confident	36 Å²	36	59.9 Å²	59.9	18%	0.177	29%	0.29	C	S	.	.	S	Bend	trans	-103.8	121.5	-176.4	-65.6	-66.6	172.6	0	0	110.3	L491 P492 Y498 I499 F538 Y606	L491-M494 HydrophobicContact CB-CB 4.29Å; L491-M494 HydrophobicContact CB-CG 4.21Å; L491-M494 PolarHBondContact O-N 3.23Å; P492-M494 VanDerWaalsContact C-N 3.3Å; M494-Y498 HydrophobicContact SD-CD1 4.48Å; M494-Y498 HydrophobicContact SD-CE1 4.44Å; M494-I499 HydrophobicContact CB-CD1 3.9Å; M494-I499 HydrophobicContact CB-CG1 3.97Å; M494-F538 HydrophobicContact CG-CE1 4.41Å; M494-Y606 HydrophobicContact CE-CD1 3.65Å; M494-Y606 HydrophobicContact CE-CE1 3.78Å; M494-Y606 HydrophobicContact CE-CG 4.43Å; M494-Y606 HydrophobicContact SD-CD1 4.2Å; M494-Y606 HydrophobicContact SD-CE1 3.96Å
495	P	87.3	Confident	88	Confident	75 Å²	75	60.6 Å²	60.6	49%	0.487	30%	0.295	S	S	.	.			trans	-57.8	141.8	178.7	-26.2	34.7	0	0	0	112.7	E497 Y498 I499	P495-E497 VanDerWaalsContact C-N 3.25Å; P495-E497 PolarHBondContact O-N 3.11Å; P495-Y498 WeakPolarHBondContact O-CB 3.34Å; P495-Y498 PolarHBondContact O-N 3.28Å; P495-Y498 VanDerWaalsContact O-N 3.07Å; P495-I499 WeakPolarHBondContact O-CG1 3.31Å; P495-I499 PolarHBondContact O-N 2.87Å
496	K	87.3	Confident	87.9	Confident	94 Å²	94	61 Å²	61	41%	0.409	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-36.4	-177	-173.5	175.1	-178.5	178.8	0	111.5	Y498 I499 T500	K496-Y498 VanDerWaalsContact C-N 3.31Å; K496-Y498 PolarHBondContact O-N 3.39Å; K496-I499 PolarHBondContact O-N 2.83Å; K496-T500 VanDerWaalsContact O-CB 3.31Å; K496-T500 WeakPolarHBondContact O-CB 3.47Å; K496-T500 PolarHBondContact O-N 3Å; K496-T500 PolarHBondContact O-OG1 2.81Å
497	E	88.4	Confident	87.8	Confident	139 Å²	139	67.1 Å²	67.1	65%	0.65	33%	0.326	S	S	*	.	H	α-helix	trans	-63.7	-40.4	177.3	-57.8	63.6	-133.9	0	0	110.2	P495 R501	P495-E497 VanDerWaalsContact C-N 3.25Å; P495-E497 PolarHBondContact O-N 3.11Å; E497-R501 WeakPolarHBondContact O-CB 3.36Å; E497-R501 PolarHBondContact O-N 2.87Å
498	Y	89.7	Confident	87.8	Confident	41 Å²	41	67.4 Å²	67.4	16%	0.161	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-47.9	177.6	-176.9	-98.8	0	0	0	111.9	M494 P495 K496 R501 L502 F538 K604 Y606	M494-Y498 HydrophobicContact SD-CD1 4.48Å; M494-Y498 HydrophobicContact SD-CE1 4.44Å; P495-Y498 WeakPolarHBondContact O-CB 3.34Å; P495-Y498 PolarHBondContact O-N 3.28Å; P495-Y498 VanDerWaalsContact O-N 3.07Å; K496-Y498 VanDerWaalsContact C-N 3.31Å; K496-Y498 PolarHBondContact O-N 3.39Å; Y498-R501 PolarHBondContact O-N 2.96Å; Y498-L502 HydrophobicContact CD1-CD1 3.91Å; Y498-L502 HydrophobicContact CD2-CD1 4.49Å; Y498-L502 HydrophobicContact CE1-CD1 3.35Å; Y498-L502 HydrophobicContact CE2-CD1 4Å; Y498-L502 HydrophobicContact CG-CD1 4.44Å; Y498-L502 PolarHBondContact O-N 3.08Å; Y498-F538 HydrophobicContact CD1-CZ 4.07Å; Y498-F538 HydrophobicContact CE1-CE1 4.32Å; Y498-F538 HydrophobicContact CE1-CZ 4.04Å; Y498-K604 WeakPolarHBondContact OH-CD 3.37Å; Y498-K604 PolarHBondContact OH-NZ 3.14Å; Y498-Y606 AromaticContact CE1-CE1 3.91Å; Y498-Y606 HydrophobicContact CE1-CE1 3.91Å; Y498-Y606 PolarHBondContact OH-OH 2.82Å
499	I	90	Very high	87.9	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-57.9	-50	174.5	-65	170	0	0	0	110	Q484 F487 M494 P495 K496 R501 L502 V503 F538	Q484-I499 HydrophobicContact CG-CG2 4.43Å; F487-I499 HydrophobicContact CB-CD1 4.29Å; F487-I499 HydrophobicContact CB-CG2 3.72Å; F487-I499 HydrophobicContact CD2-CG2 4.37Å; F487-I499 HydrophobicContact CG-CG2 4.49Å; M494-I499 HydrophobicContact CB-CD1 3.9Å; M494-I499 HydrophobicContact CB-CG1 3.97Å; P495-I499 WeakPolarHBondContact O-CG1 3.31Å; P495-I499 PolarHBondContact O-N 2.87Å; K496-I499 PolarHBondContact O-N 2.83Å; I499-R501 PolarHBondContact O-N 3.06Å; I499-L502 PolarHBondContact O-N 2.81Å; I499-V503 HydrophobicContact CG2-CG2 4.02Å; I499-V503 WeakPolarHBondContact O-CB 3.45Å; I499-V503 WeakPolarHBondContact O-CG2 3.4Å; I499-V503 PolarHBondContact O-N 3.18Å; I499-F538 HydrophobicContact CB-CE2 4.32Å; I499-F538 HydrophobicContact CB-CZ 4.28Å; I499-F538 HydrophobicContact CG1-CE1 4.23Å; I499-F538 HydrophobicContact CG1-CE2 4.33Å; I499-F538 HydrophobicContact CG1-CZ 3.89Å; I499-F538 HydrophobicContact CG2-CE2 4.19Å
500	T	91.1	Very high	88.1	Confident	40 Å²	40	63 Å²	63	25%	0.245	30%	0.303	C	S	.	.	H	α-helix	trans	-58.4	-49.7	-178.8	-52.6	0	0	0	0	110.8	Q484 K496 L502 V503 F504	Q484-T500 PolarHBondContact NE2-OG1 2.77Å; K496-T500 VanDerWaalsContact O-CB 3.31Å; K496-T500 WeakPolarHBondContact O-CB 3.47Å; K496-T500 PolarHBondContact O-N 3Å; K496-T500 PolarHBondContact O-OG1 2.81Å; T500-L502 PolarHBondContact O-N 3.28Å; T500-V503 PolarHBondContact O-N 3Å; T500-F504 HydrophobicContact CG2-CD2 3.72Å; T500-F504 HydrophobicContact CG2-CE2 3.97Å; T500-F504 VanDerWaalsContact O-CD2 3.3Å; T500-F504 WeakPolarHBondContact O-CD2 3.47Å; T500-F504 PolarHBondContact O-N 3.39Å; T500-F504 VanDerWaalsContact O-N 3.1Å
501	R	90.6	Very high	88.5	Confident	159 Å²	159	60.7 Å²	60.7	60%	0.6	29%	0.292	S	S	*	.	H	α-helix	trans	-56.1	-36.8	179.3	-176.4	175.7	62.2	161.8	-5.5	112.7	E497 Y498 I499 D505	E497-R501 WeakPolarHBondContact O-CB 3.36Å; E497-R501 PolarHBondContact O-N 2.87Å; Y498-R501 PolarHBondContact O-N 2.96Å; I499-R501 PolarHBondContact O-N 3.06Å; R501-D505 WeakPolarHBondContact O-CB 3.45Å; R501-D505 PolarHBondContact O-N 2.94Å
502	L	90.5	Very high	88.8	Confident	7 Å²	7	59 Å²	59	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-85.7	-38.5	-177.5	-68.5	168.6	0	0	0	113.4	Y498 I499 T500 F504 D505 H508 V537 F538	Y498-L502 HydrophobicContact CD1-CD1 3.91Å; Y498-L502 HydrophobicContact CD2-CD1 4.49Å; Y498-L502 HydrophobicContact CE1-CD1 3.35Å; Y498-L502 HydrophobicContact CE2-CD1 4Å; Y498-L502 HydrophobicContact CG-CD1 4.44Å; Y498-L502 PolarHBondContact O-N 3.08Å; I499-L502 PolarHBondContact O-N 2.81Å; T500-L502 PolarHBondContact O-N 3.28Å; L502-F504 VanDerWaalsContact C-N 3.26Å; L502-F504 PolarHBondContact O-N 3.32Å; L502-D505 PolarHBondContact O-N 2.95Å; L502-H508 VanDerWaalsContact CD2-CE1 3.45Å; L502-H508 WeakPolarHBondContact CD2-CE1 3.35Å; L502-H508 WeakPolarHBondContact O-CB 3.22Å; L502-V537 HydrophobicContact CD1-CG1 4Å; L502-F538 HydrophobicContact CB-CE2 3.98Å; L502-F538 HydrophobicContact CB-CZ 4.45Å; L502-F538 HydrophobicContact CD1-CE2 4.2Å; L502-F538 HydrophobicContact CD1-CZ 3.87Å
503	V	90.6	Very high	89.4	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-31.9	176.7	171.9	0	0	0	0	111.7	L480 F487 I499 T500 F538	L480-V503 HydrophobicContact CB-CG1 4.42Å; L480-V503 HydrophobicContact CD2-CG1 3.99Å; F487-V503 HydrophobicContact CD2-CG2 3.8Å; F487-V503 HydrophobicContact CE2-CG2 4Å; I499-V503 HydrophobicContact CG2-CG2 4.02Å; I499-V503 WeakPolarHBondContact O-CB 3.45Å; I499-V503 WeakPolarHBondContact O-CG2 3.4Å; I499-V503 PolarHBondContact O-N 3.18Å; T500-V503 PolarHBondContact O-N 3Å; V503-F538 HydrophobicContact CG2-CD2 4.26Å; V503-F538 HydrophobicContact CG2-CE2 4.32Å
504	F	90.2	Very high	89.9	Confident	43 Å²	43	46.8 Å²	46.8	19%	0.189	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	3.4	176.6	-66.5	-77.7	0	0	0	114.3	N466 L477 L480 V481 Q484 T500 L502	N466-F504 WeakPolarHBondContact CB-O 3.17Å; N466-F504 PolarHBondContact ND2-O 3.18Å; L477-F504 HydrophobicContact CD1-CD1 4.38Å; L477-F504 HydrophobicContact CD1-CE1 3.84Å; L480-F504 HydrophobicContact CB-CD1 4.27Å; L480-F504 HydrophobicContact CB-CE1 3.54Å; L480-F504 HydrophobicContact CB-CZ 3.89Å; L480-F504 HydrophobicContact CD1-CD1 4.18Å; L480-F504 HydrophobicContact CD1-CE1 4.12Å; L480-F504 HydrophobicContact CG-CE1 4.45Å; V481-F504 HydrophobicContact CG2-CE1 4.5Å; V481-F504 HydrophobicContact CG2-CZ 3.81Å; Q484-F504 HydrophobicContact CB-CE2 4.36Å; Q484-F504 HydrophobicContact CG-CE2 4.48Å; T500-F504 HydrophobicContact CG2-CD2 3.72Å; T500-F504 HydrophobicContact CG2-CE2 3.97Å; T500-F504 VanDerWaalsContact O-CD2 3.3Å; T500-F504 WeakPolarHBondContact O-CD2 3.47Å; T500-F504 PolarHBondContact O-N 3.39Å; T500-F504 VanDerWaalsContact O-N 3.1Å; L502-F504 VanDerWaalsContact C-N 3.26Å; L502-F504 PolarHBondContact O-N 3.32Å
505	D	89.4	Confident	90	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.214	22%	0.22	C	C	.	.			trans	-74.4	124.1	174	178.7	-14	0	0	0	109.7	R501 L502 K507 H508	R501-D505 WeakPolarHBondContact O-CB 3.45Å; R501-D505 PolarHBondContact O-N 2.94Å; L502-D505 PolarHBondContact O-N 2.95Å; D505-K507 PolarHBondContact O-N 2.93Å; D505-K507 VanDerWaalsContact OD1-CB 3.29Å; D505-K507 WeakPolarHBondContact OD1-CB 3.38Å; D505-K507 WeakPolarHBondContact OD1-CG 3.44Å; D505-K507 PolarHBondContact OD1-N 2.88Å; D505-H508 WeakPolarHBondContact CB-ND1 3.49Å; D505-H508 PolarHBondContact O-N 3.41Å; D505-H508 IonicContact OD2-CE1 3.94Å; D505-H508 PolarHBondContact OD2-CE1 3.14Å; D505-H508 IonicContact OD2-ND1 2.66Å; D505-H508 PolarHBondContact OD2-ND1 3.44Å
506	P	87.4	Confident	89.9	Confident	70 Å²	70	48.9 Å²	48.9	46%	0.455	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.5	179.8	27.4	-36.9	0	0	0	114.5	N466 L468 H508	N466-P506 WeakPolarHBondContact O-CA 3.1Å; N466-P506 WeakPolarHBondContact O-CB 3.5Å; L468-P506 HydrophobicContact CD1-CG 4.23Å; L468-P506 HydrophobicContact CG-CG 4.41Å; P506-H508 VanDerWaalsContact C-N 3.32Å
507	K	88.4	Confident	89.6	Confident	141 Å²	141	47.2 Å²	47.2	61%	0.613	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16	172.6	-61.8	174.1	-177.8	173.9	0	113	D505	D505-K507 PolarHBondContact O-N 2.93Å; D505-K507 VanDerWaalsContact OD1-CB 3.29Å; D505-K507 WeakPolarHBondContact OD1-CB 3.38Å; D505-K507 WeakPolarHBondContact OD1-CG 3.44Å; D505-K507 PolarHBondContact OD1-N 2.88Å
508	H	91	Very high	89.5	Confident	7 Å²	7	50 Å²	50	3%	0.032	24%	0.243	C	C	.	.			trans	-101.7	146.4	179.1	-65.1	77.8	0	0	0	110.5	L502 D505 P506	L502-H508 VanDerWaalsContact CD2-CE1 3.45Å; L502-H508 WeakPolarHBondContact CD2-CE1 3.35Å; L502-H508 WeakPolarHBondContact O-CB 3.22Å; D505-H508 WeakPolarHBondContact CB-ND1 3.49Å; D505-H508 PolarHBondContact O-N 3.41Å; D505-H508 IonicContact OD2-CE1 3.94Å; D505-H508 PolarHBondContact OD2-CE1 3.14Å; D505-H508 IonicContact OD2-ND1 2.66Å; D505-H508 PolarHBondContact OD2-ND1 3.44Å; P506-H508 VanDerWaalsContact C-N 3.32Å
509	K	92.3	Very high	89.4	Confident	78 Å²	78	49.3 Å²	49.3	34%	0.339	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.8	171	-68.9	178.6	178.2	175.8	0	108.3	V463 I464 C524 F525 M527 Y562	V463-K509 HydrophobicContact CG1-CB 4.3Å; V463-K509 HydrophobicContact CG1-CD 4.19Å; I464-K509 CarbonylContact O-C 3.56Å; I464-K509 WeakPolarHBondContact O-CA 3.42Å; K509-C524 WeakPolarHBondContact O-CA 3.37Å; K509-F525 HydrophobicContact CB-CD2 4.46Å; K509-F525 HydrophobicContact CB-CE1 4.03Å; K509-F525 HydrophobicContact CB-CE2 3.9Å; K509-F525 HydrophobicContact CB-CZ 3.66Å; K509-F525 HydrophobicContact CD-CE2 4.33Å; K509-F525 HydrophobicContact CD-CZ 4.36Å; K509-F525 PolarHBondContact N-O 3.38Å; K509-F525 VanDerWaalsContact O-CD1 3.27Å; K509-F525 WeakPolarHBondContact O-CD1 3.41Å; K509-F525 PolarHBondContact O-N 2.96Å; K509-F525 VanDerWaalsContact O-O 3.05Å; K509-M527 HydrophobicContact CD-SD 4.14Å; K509-Y562 PolarHBondContact NZ-OH 3.5Å; K509-Y562 VanDerWaalsContact NZ-OH 3.14Å
510	T	93.1	Very high	89.3	Confident	1 Å²	1	50 Å²	50	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.1	174.7	-50.7	0	0	0	0	109.5	I464 L483 F487 A512 I523 C524	I464-T510 WeakPolarHBondContact CG1-O 3.19Å; I464-T510 PolarHBondContact N-O 2.97Å; I464-T510 PolarHBondContact O-N 2.91Å; L483-T510 HydrophobicContact CD1-CG2 3.66Å; L483-T510 HydrophobicContact CD2-CG2 4.24Å; L483-T510 HydrophobicContact CG-CG2 4.39Å; F487-T510 HydrophobicContact CE2-CG2 4.15Å; F487-T510 HydrophobicContact CZ-CG2 4.12Å; T510-A512 PolarHBondContact O-N 3.27Å; T510-I523 CarbonylContact C-O 3.44Å; T510-I523 VanDerWaalsContact CA-O 3.27Å; T510-I523 WeakPolarHBondContact CA-O 3.39Å; T510-I523 WeakPolarHBondContact CG2-O 3.29Å; T510-C524 HydrophobicContact CG2-CB 4.2Å
511	L	93.7	Very high	89.3	Confident	6 Å²	6	48 Å²	48	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	108.6	165.6	179.1	64.8	0	0	0	107.4	F461 V463 G522 I523 F525 L555 H558 L559	F461-L511 HydrophobicContact CB-CD1 4.31Å; V463-L511 HydrophobicContact CG2-CD1 3.65Å; L511-G522 CarbonylContact O-C 3.58Å; L511-G522 WeakPolarHBondContact O-CA 3.44Å; L511-I523 PolarHBondContact N-O 2.9Å; L511-I523 PolarHBondContact O-N 2.95Å; L511-F525 HydrophobicContact CB-CE1 4.21Å; L511-L555 HydrophobicContact CB-CD1 4.41Å; L511-L555 HydrophobicContact CD2-CD1 3.57Å; L511-L555 HydrophobicContact CD2-CG 4.36Å; L511-L555 WeakPolarHBondContact CD2-O 3.38Å; L511-L555 HydrophobicContact CG-CD1 3.64Å; L511-H558 HydrophobicContact CD2-CB 4.21Å; L511-L559 HydrophobicContact CB-CD1 4.26Å; L511-L559 HydrophobicContact CD2-CB 3.85Å; L511-L559 HydrophobicContact CD2-CD1 4.13Å
512	A	92.4	Very high	89.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.7	178.5	0	0	0	0	0	110.3	F461 H462 I464 L483 T510 I514	F461-A512 WeakPolarHBondContact CA-O 3.44Å; H462-A512 PolarHBondContact N-O 3.36Å; H462-A512 WeakPolarHBondContact O-CB 3.28Å; H462-A512 PolarHBondContact O-N 2.96Å; I464-A512 HydrophobicContact CD1-CB 4.05Å; I464-A512 HydrophobicContact CG1-CB 4.27Å; L483-A512 HydrophobicContact CD1-CB 3.72Å; T510-A512 PolarHBondContact O-N 3.27Å; A512-I514 HydrophobicContact CB-CD1 4.41Å; A512-I514 HydrophobicContact CB-CG1 4.42Å
513	L	90.9	Very high	89.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.9	165	173.5	60.3	0	0	0	108.7	I459 F461 I520 G521 Y551 L555	I459-L513 HydrophobicContact CB-CD1 3.96Å; I459-L513 HydrophobicContact CD1-CD1 4.28Å; I459-L513 HydrophobicContact CG1-CD1 4.41Å; F461-L513 HydrophobicContact CD1-CB 4.4Å; F461-L513 HydrophobicContact CD1-CD1 4.11Å; F461-L513 HydrophobicContact CE1-CB 4.15Å; F461-L513 HydrophobicContact CE1-CD1 3.64Å; F461-L513 HydrophobicContact CE1-CD2 4.44Å; F461-L513 HydrophobicContact CE1-CG 4.26Å; F461-L513 HydrophobicContact CE2-CD1 4.07Å; F461-L513 HydrophobicContact CZ-CD1 3.62Å; L513-I520 HydrophobicContact CB-CG1 4.31Å; L513-I520 HydrophobicContact CD1-CD1 4.33Å; L513-I520 HydrophobicContact CD2-CD1 3.59Å; L513-I520 HydrophobicContact CD2-CG1 3.83Å; L513-I520 HydrophobicContact CG-CD1 3.63Å; L513-I520 HydrophobicContact CG-CG1 3.57Å; L513-I520 WeakPolarHBondContact O-CG1 3.37Å; L513-I520 PolarHBondContact O-N 3.15Å; L513-G521 PolarHBondContact N-O 3.21Å; L513-Y551 HydrophobicContact CD2-CD1 4.25Å; L513-Y551 HydrophobicContact CD2-CG 3.96Å; L513-L555 HydrophobicContact CB-CD1 4.23Å
514	I	89.9	Confident	89.7	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.6	-177	-63.5	159.4	0	0	0	108.3	I459 E460 H462 W479 A512 R518 V519	I459-I514 CarbonylContact C-O 3.57Å; I459-I514 VanDerWaalsContact CA-O 3.27Å; I459-I514 WeakPolarHBondContact CA-O 3.46Å; E460-I514 PolarHBondContact N-O 3.26Å; E460-I514 PolarHBondContact O-N 2.89Å; H462-I514 HydrophobicContact CB-CD1 4.37Å; W479-I514 HydrophobicContact CD2-CD1 3.49Å; W479-I514 VanDerWaalsContact CD2-CD1 3.49Å; W479-I514 VanDerWaalsContact CE2-CD1 3.4Å; W479-I514 HydrophobicContact CE3-CD1 3.79Å; W479-I514 HydrophobicContact CG-CD1 3.97Å; W479-I514 HydrophobicContact CH2-CD1 3.9Å; W479-I514 HydrophobicContact CZ2-CD1 3.64Å; W479-I514 HydrophobicContact CZ3-CD1 3.98Å; A512-I514 HydrophobicContact CB-CD1 4.41Å; A512-I514 HydrophobicContact CB-CG1 4.42Å; I514-R518 CarbonylContact C-O 3.58Å; I514-R518 WeakPolarHBondContact CA-O 3.42Å; I514-V519 HydrophobicContact CG1-CG2 4.46Å
515	K	86.6	Confident	89.9	Confident	29 Å²	29	38 Å²	38	13%	0.126	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	128.5	178.5	174.7	178.4	170	-170.2	0	109.2	I458 I459 G517 R518 I520 E545	I458-K515 HydrophobicContact CG2-CG 4.29Å; I458-K515 WeakPolarHBondContact O-CA 3.3Å; I459-K515 HydrophobicContact CG2-CB 4Å; I459-K515 HydrophobicContact CG2-CD 4.08Å; I459-K515 HydrophobicContact CG2-CG 3.99Å; K515-G517 PolarHBondContact O-N 3.44Å; K515-G517 VanDerWaalsContact O-N 3.09Å; K515-R518 PolarHBondContact N-O 3.01Å; K515-R518 PolarHBondContact O-N 2.94Å; K515-I520 HydrophobicContact CB-CD1 3.67Å; K515-I520 HydrophobicContact CB-CG1 4.09Å; K515-I520 HydrophobicContact CB-CG2 4.02Å; K515-I520 HydrophobicContact CD-CD1 3.94Å; K515-I520 HydrophobicContact CG-CD1 4.48Å; K515-E545 IonicContact NZ-OE1 3.83Å; K515-E545 PolarHBondContact NZ-OE1 3.07Å; K515-E545 IonicContact NZ-OE2 3.26Å
516	D	83.9	Confident	90	Very high	126 Å²	126	39.3 Å²	39.3	67%	0.674	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	37.5	-177.4	-51.5	-50.8	0	0	0	112.5	R518	D516-R518 VanDerWaalsContact C-N 3.27Å; D516-R518 PolarHBondContact O-N 3.37Å
517	G	80.7	Confident	90.2	Very high	59 Å²	59	37.6 Å²	37.6	61%	0.608	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	-2.3	-176.3	0	0	0	0	0	116.5	K515	K515-G517 PolarHBondContact O-N 3.44Å; K515-G517 VanDerWaalsContact O-N 3.09Å
518	R	86.1	Confident	90.2	Very high	198 Å²	198	31.7 Å²	31.7	75%	0.747	16%	0.157	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.8	178.9	-61.6	-175.8	-179.7	-163.3	-0.2	111.8	I514 K515 D516	I514-R518 CarbonylContact C-O 3.58Å; I514-R518 WeakPolarHBondContact CA-O 3.42Å; K515-R518 PolarHBondContact N-O 3.01Å; K515-R518 PolarHBondContact O-N 2.94Å; D516-R518 VanDerWaalsContact C-N 3.27Å; D516-R518 PolarHBondContact O-N 3.37Å
519	V	89.3	Confident	90	Very high	25 Å²	25	35.8 Å²	35.8	15%	0.152	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.7	172	174.8	0	0	0	0	109.5	W479 L483 V486 I514	W479-V519 HydrophobicContact CB-CG2 4.06Å; W479-V519 HydrophobicContact CG-CG2 4.29Å; L483-V519 HydrophobicContact CD2-CG1 3.52Å; L483-V519 HydrophobicContact CG-CG1 3.64Å; V486-V519 HydrophobicContact CG2-CG1 4.32Å; I514-V519 HydrophobicContact CG1-CG2 4.46Å
520	I	87.9	Confident	89.7	Confident	14 Å²	14	38.3 Å²	38.3	7%	0.072	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-14	178.7	58	164.4	0	0	0	113.5	L513 K515 T542 E545 Y551	L513-I520 HydrophobicContact CB-CG1 4.31Å; L513-I520 HydrophobicContact CD1-CD1 4.33Å; L513-I520 HydrophobicContact CD2-CD1 3.59Å; L513-I520 HydrophobicContact CD2-CG1 3.83Å; L513-I520 HydrophobicContact CG-CD1 3.63Å; L513-I520 HydrophobicContact CG-CG1 3.57Å; L513-I520 WeakPolarHBondContact O-CG1 3.37Å; L513-I520 PolarHBondContact O-N 3.15Å; K515-I520 HydrophobicContact CB-CD1 3.67Å; K515-I520 HydrophobicContact CB-CG1 4.09Å; K515-I520 HydrophobicContact CB-CG2 4.02Å; K515-I520 HydrophobicContact CD-CD1 3.94Å; K515-I520 HydrophobicContact CG-CD1 4.48Å; I520-T542 WeakPolarHBondContact O-CG2 3.45Å; I520-T542 PolarHBondContact O-N 3.05Å; I520-T542 PolarHBondContact O-OG1 2.92Å; I520-E545 WeakPolarHBondContact CB-OE2 3.47Å; I520-E545 WeakPolarHBondContact CD1-OE2 3.48Å; I520-E545 WeakPolarHBondContact CG2-OE2 3.43Å; I520-Y551 HydrophobicContact CD1-CD2 4.15Å; I520-Y551 HydrophobicContact CD1-CE2 3.96Å
521	G	90.1	Very high	89.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	174.5	176	0	0	0	0	0	113	L483 L513 A540	L483-G521 WeakPolarHBondContact CD2-O 3.45Å; L513-G521 PolarHBondContact N-O 3.21Å; G521-A540 CarbonylContact C-O 3.54Å; G521-A540 VanDerWaalsContact CA-O 3.29Å; G521-A540 WeakPolarHBondContact CA-O 3.38Å
522	G	92.1	Very high	88.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	170.2	174.2	0	0	0	0	0	114.8	F487 L511 A540	F487-G522 WeakPolarHBondContact CE1-O 3.18Å; L511-G522 CarbonylContact O-C 3.58Å; L511-G522 WeakPolarHBondContact O-CA 3.44Å; G522-A540 PolarHBondContact N-O 3.05Å; G522-A540 PolarHBondContact O-N 3.33Å; G522-A540 VanDerWaalsContact O-N 3.09Å
523	I	94.6	Very high	88.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.5	173.2	-60.5	174.1	0	0	0	108.8	T510 L511 F525 I536 F538 C539 L555 M556 L559	T510-I523 CarbonylContact C-O 3.44Å; T510-I523 VanDerWaalsContact CA-O 3.27Å; T510-I523 WeakPolarHBondContact CA-O 3.39Å; T510-I523 WeakPolarHBondContact CG2-O 3.29Å; L511-I523 PolarHBondContact N-O 2.9Å; L511-I523 PolarHBondContact O-N 2.95Å; I523-F525 WeakPolarHBondContact O-CD1 3.43Å; I523-I536 HydrophobicContact CG2-CG2 3.71Å; I523-F538 CarbonylContact C-O 3.49Å; I523-F538 VanDerWaalsContact CA-O 3.27Å; I523-F538 WeakPolarHBondContact CA-O 3.35Å; I523-F538 WeakPolarHBondContact CG2-O 3.33Å; I523-C539 HydrophobicContact CG1-CB 4.12Å; I523-L555 HydrophobicContact CD1-CD2 4.11Å; I523-L555 HydrophobicContact CD1-CG 3.8Å; I523-L555 HydrophobicContact CG1-CD2 3.76Å; I523-L555 HydrophobicContact CG1-CG 3.9Å; I523-M556 HydrophobicContact CD1-CE 3.79Å; I523-M556 HydrophobicContact CD1-SD 4.41Å; I523-L559 HydrophobicContact CB-CD2 4.41Å; I523-L559 HydrophobicContact CD1-CD2 3.88Å; I523-L559 HydrophobicContact CG2-CD2 3.85Å
524	C	94	Very high	88.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.3	171	-175.4	0	0	0	0	109.2	F487 K509 T510 V537 F538	F487-C524 HydrophobicContact CE2-CB 4.18Å; F487-C524 HydrophobicContact CZ-CB 4.16Å; K509-C524 WeakPolarHBondContact O-CA 3.37Å; T510-C524 HydrophobicContact CG2-CB 4.2Å; C524-V537 PolarHBondContact O-N 2.94Å; C524-F538 HydrophobicContact CB-CB 4.02Å; C524-F538 HydrophobicContact CB-CD2 3.88Å; C524-F538 HydrophobicContact CB-CG 4.39Å; C524-F538 PolarHBondContact N-O 3.08Å; C524-F538 PolarHBondContact O-N 3.06Å; C524-F538 VanDerWaalsContact O-N 3.15Å
525	F	94.2	Very high	89	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.5	-174	66.2	-88.3	0	0	0	112	V463 K509 L511 I523 M527 T534 E535 L559 Y562 H563	V463-F525 HydrophobicContact CG1-CZ 4.24Å; K509-F525 HydrophobicContact CB-CD2 4.46Å; K509-F525 HydrophobicContact CB-CE1 4.03Å; K509-F525 HydrophobicContact CB-CE2 3.9Å; K509-F525 HydrophobicContact CB-CZ 3.66Å; K509-F525 HydrophobicContact CD-CE2 4.33Å; K509-F525 HydrophobicContact CD-CZ 4.36Å; K509-F525 PolarHBondContact N-O 3.38Å; K509-F525 VanDerWaalsContact O-CD1 3.27Å; K509-F525 WeakPolarHBondContact O-CD1 3.41Å; K509-F525 PolarHBondContact O-N 2.96Å; K509-F525 VanDerWaalsContact O-O 3.05Å; L511-F525 HydrophobicContact CB-CE1 4.21Å; I523-F525 WeakPolarHBondContact O-CD1 3.43Å; F525-M527 HydrophobicContact CD2-CG 3.88Å; F525-M527 HydrophobicContact CE2-CG 3.72Å; F525-M527 HydrophobicContact CE2-SD 3.92Å; F525-T534 HydrophobicContact CB-CG2 3.75Å; F525-T534 HydrophobicContact CD2-CG2 3.8Å; F525-T534 HydrophobicContact CG-CG2 4.18Å; F525-E535 CarbonylContact C-O 3.54Å; F525-E535 WeakPolarHBondContact CA-O 3.49Å; F525-E535 WeakPolarHBondContact CB-O 3.4Å; F525-L559 HydrophobicContact CD1-CD1 3.56Å; F525-L559 HydrophobicContact CE1-CD1 3.52Å; F525-L559 HydrophobicContact CG-CD1 4.18Å; F525-L559 HydrophobicContact CZ-CD1 4.11Å; F525-Y562 HydrophobicContact CE2-CD1 4.45Å; F525-Y562 HydrophobicContact CE2-CE1 4.06Å; F525-Y562 HydrophobicContact CZ-CD1 4.09Å; F525-Y562 AromaticContact CZ-CE1 3.81Å; F525-Y562 HydrophobicContact CZ-CE1 3.81Å; F525-H563 AromaticContact CD2-CE1 3.5Å; F525-H563 VanDerWaalsContact CD2-CE1 3.5Å; F525-H563 WeakPolarHBondContact CD2-CE1 3.49Å; F525-H563 AromaticContact CD2-NE2 3.48Å; F525-H563 WeakPolarHBondContact CD2-NE2 3.33Å; F525-H563 AromaticContact CE2-CE1 3.33Å; F525-H563 WeakPolarHBondContact CE2-CE1 3.35Å; F525-H563 AromaticContact CE2-NE2 3.41Å; F525-H563 WeakPolarHBondContact CE2-NE2 3.39Å; F525-H563 AromaticContact CZ-CE1 3.84Å
526	R	92.4	Very high	89.3	Confident	66 Å²	66	40.5 Å²	40.5	25%	0.249	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	119.3	177.6	-176	173.8	176.6	-153.5	-4.8	110.1	F528 T534 E535	R526-F528 HydrophobicContact CB-CE2 4.29Å; R526-F528 HydrophobicContact CG-CE2 3.9Å; R526-F528 HydrophobicContact CG-CZ 3.98Å; R526-T534 CarbonylContact O-C 3.54Å; R526-T534 WeakPolarHBondContact O-CA 3.47Å; R526-E535 HydrophobicContact CB-CB 4.42Å; R526-E535 PolarHBondContact N-O 3.36Å; R526-E535 PolarHBondContact O-N 3.17Å
527	M	90.3	Very high	89.7	Confident	35 Å²	35	35.5 Å²	35.5	17%	0.172	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	138	-178.9	-57	171	79.4	0	0	110.2	K509 F525 Y562 H566 I568	K509-M527 HydrophobicContact CD-SD 4.14Å; F525-M527 HydrophobicContact CD2-CG 3.88Å; F525-M527 HydrophobicContact CE2-CG 3.72Å; F525-M527 HydrophobicContact CE2-SD 3.92Å; M527-Y562 HydrophobicContact CE-CE1 4.3Å; M527-Y562 HydrophobicContact SD-CE1 4.15Å; M527-H566 HydrophobicContact CE-CB 3.77Å; M527-I568 HydrophobicContact CB-CD1 4Å; M527-I568 HydrophobicContact CE-CD1 3.66Å; M527-I568 HydrophobicContact CG-CD1 4.37Å
528	F	89.8	Confident	90.2	Very high	16 Å²	16	32.9 Å²	32.9	7%	0.07	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	77.1	170	-62.7	-91.1	0	0	0	109.8	R526 T530 Q531 G532 F533 E535 Y602	R526-F528 HydrophobicContact CB-CE2 4.29Å; R526-F528 HydrophobicContact CG-CE2 3.9Å; R526-F528 HydrophobicContact CG-CZ 3.98Å; F528-T530 VanDerWaalsContact C-N 3.28Å; F528-T530 PolarHBondContact O-N 2.9Å; F528-Q531 HydrophobicContact CB-CB 4.21Å; F528-Q531 CarbonylContact O-C 3.48Å; F528-Q531 PolarHBondContact O-N 3.32Å; F528-G532 PolarHBondContact O-N 2.88Å; F528-F533 WeakPolarHBondContact CA-O 3Å; F528-F533 HydrophobicContact CB-CD1 4.25Å; F528-F533 HydrophobicContact CB-CE1 3.98Å; F528-F533 HydrophobicContact CB-CZ 4.13Å; F528-F533 WeakPolarHBondContact CB-O 3.35Å; F528-F533 HydrophobicContact CD1-CZ 4.49Å; F528-F533 HydrophobicContact CD2-CD2 4.09Å; F528-F533 HydrophobicContact CD2-CE1 4.22Å; F528-F533 AromaticContact CD2-CE2 3.43Å; F528-F533 HydrophobicContact CD2-CE2 3.43Å; F528-F533 VanDerWaalsContact CD2-CE2 3.43Å; F528-F533 AromaticContact CD2-CZ 3.5Å; F528-F533 HydrophobicContact CD2-CZ 3.5Å; F528-F533 AromaticContact CE2-CE2 3.8Å; F528-F533 HydrophobicContact CE2-CE2 3.8Å; F528-F533 AromaticContact CE2-CZ 3.94Å; F528-F533 HydrophobicContact CE2-CZ 3.94Å; F528-F533 HydrophobicContact CG-CE1 4.15Å; F528-F533 HydrophobicContact CG-CE2 4.17Å; F528-F533 AromaticContact CG-CZ 3.81Å; F528-F533 HydrophobicContact CG-CZ 3.81Å; F528-F533 PolarHBondContact N-O 3.17Å; F528-E535 HydrophobicContact CE2-CB 3.98Å; F528-Y602 HydrophobicContact CD1-CD1 4.07Å; F528-Y602 AromaticContact CE1-CD1 3.85Å; F528-Y602 HydrophobicContact CE1-CD1 3.85Å; F528-Y602 HydrophobicContact CE1-CG 4.38Å; F528-Y602 WeakPolarHBondContact CZ-O 3.29Å
529	P	86	Confident	90.4	Very high	94 Å²	94	24.9 Å²	24.9	61%	0.61	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.4	-172.2	-25.1	34.9	0	0	0	114	Q531 G532 I568	P529-Q531 VanDerWaalsContact C-N 3.29Å; P529-Q531 PolarHBondContact O-N 3.13Å; P529-G532 PolarHBondContact O-N 3.28Å; P529-I568 HydrophobicContact CG-CD1 4.41Å
530	T	85.2	Confident	90.4	Very high	131 Å²	131	23.8 Å²	23.8	80%	0.804	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-30.1	177.6	49.4	0	0	0	0	113.5	F528	F528-T530 VanDerWaalsContact C-N 3.28Å; F528-T530 PolarHBondContact O-N 2.9Å
531	Q	83.8	Confident	90.3	Very high	51 Å²	51	23.3 Å²	23.3	24%	0.238	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-8.3	176.7	-59.7	-66.1	3.3	0	0	112	F528 P529 F533 R598 Y602	F528-Q531 HydrophobicContact CB-CB 4.21Å; F528-Q531 CarbonylContact O-C 3.48Å; F528-Q531 PolarHBondContact O-N 3.32Å; P529-Q531 VanDerWaalsContact C-N 3.29Å; P529-Q531 PolarHBondContact O-N 3.13Å; Q531-F533 VanDerWaalsContact C-N 3.31Å; Q531-F533 HydrophobicContact CB-CD1 3.51Å; Q531-F533 HydrophobicContact CB-CE1 3.52Å; Q531-F533 HydrophobicContact CG-CE1 4.09Å; Q531-F533 PolarHBondContact O-N 2.95Å; Q531-R598 HydrophobicContact CB-CG 3.91Å; Q531-R598 HydrophobicContact CG-CG 4.48Å; Q531-R598 WeakPolarHBondContact O-CD 3.5Å; Q531-Y602 HydrophobicContact CG-CE2 4.48Å; Q531-Y602 PolarHBondContact NE2-OH 2.97Å
532	G	85.1	Confident	89.9	Confident	22 Å²	22	24.9 Å²	24.9	23%	0.227	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	20.2	178.3	0	0	0	0	0	115.4	F528 P529	F528-G532 PolarHBondContact O-N 2.88Å; P529-G532 PolarHBondContact O-N 3.28Å
533	F	90.6	Very high	88.7	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	161.8	174.8	81.2	-88.6	0	0	0	112.8	F528 Q531 Y570 L572 R598 I603	F528-F533 WeakPolarHBondContact CA-O 3Å; F528-F533 HydrophobicContact CB-CD1 4.25Å; F528-F533 HydrophobicContact CB-CE1 3.98Å; F528-F533 HydrophobicContact CB-CZ 4.13Å; F528-F533 WeakPolarHBondContact CB-O 3.35Å; F528-F533 HydrophobicContact CD1-CZ 4.49Å; F528-F533 HydrophobicContact CD2-CD2 4.09Å; F528-F533 HydrophobicContact CD2-CE1 4.22Å; F528-F533 AromaticContact CD2-CE2 3.43Å; F528-F533 HydrophobicContact CD2-CE2 3.43Å; F528-F533 VanDerWaalsContact CD2-CE2 3.43Å; F528-F533 AromaticContact CD2-CZ 3.5Å; F528-F533 HydrophobicContact CD2-CZ 3.5Å; F528-F533 AromaticContact CE2-CE2 3.8Å; F528-F533 HydrophobicContact CE2-CE2 3.8Å; F528-F533 AromaticContact CE2-CZ 3.94Å; F528-F533 HydrophobicContact CE2-CZ 3.94Å; F528-F533 HydrophobicContact CG-CE1 4.15Å; F528-F533 HydrophobicContact CG-CE2 4.17Å; F528-F533 AromaticContact CG-CZ 3.81Å; F528-F533 HydrophobicContact CG-CZ 3.81Å; F528-F533 PolarHBondContact N-O 3.17Å; Q531-F533 VanDerWaalsContact C-N 3.31Å; Q531-F533 HydrophobicContact CB-CD1 3.51Å; Q531-F533 HydrophobicContact CB-CE1 3.52Å; Q531-F533 HydrophobicContact CG-CE1 4.09Å; Q531-F533 PolarHBondContact O-N 2.95Å; F533-Y570 CarbonylContact C-O 3.48Å; F533-Y570 WeakPolarHBondContact CA-O 3.38Å; F533-L572 HydrophobicContact CD2-CB 4.42Å; F533-L572 HydrophobicContact CD2-CD1 3.85Å; F533-L572 HydrophobicContact CD2-CG 4.26Å; F533-L572 HydrophobicContact CE2-CD1 4.14Å; F533-L572 HydrophobicContact CG-CD1 4.24Å; F533-R598 HydrophobicContact CD1-CG 4.25Å; F533-R598 VanDerWaalsContact CE1-O 3.29Å; F533-R598 WeakPolarHBondContact CE1-O 3.35Å; F533-I603 HydrophobicContact CE2-CG2 3.63Å; F533-I603 HydrophobicContact CZ-CG2 4.09Å
534	T	92.3	Very high	87.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135	169.3	-77.3	0	0	0	0	109.8	F525 R526 H563 Y570 F571 L572	F525-T534 HydrophobicContact CB-CG2 3.75Å; F525-T534 HydrophobicContact CD2-CG2 3.8Å; F525-T534 HydrophobicContact CG-CG2 4.18Å; R526-T534 CarbonylContact O-C 3.54Å; R526-T534 WeakPolarHBondContact O-CA 3.47Å; T534-H563 PolarHBondContact OG1-CD2 2.99Å; T534-H563 PolarHBondContact OG1-NE2 3.37Å; T534-Y570 PolarHBondContact N-O 3.33Å; T534-F571 HydrophobicContact CG2-CD1 4.27Å; T534-F571 HydrophobicContact CG2-CE1 4.3Å; T534-F571 WeakPolarHBondContact O-CA 3.29Å; T534-L572 PolarHBondContact O-N 3.26Å
535	E	93.1	Very high	85.4	Confident	9 Å²	9	37.4 Å²	37.4	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.6	167.5	-177.8	-177.7	-151.3	0	0	109.2	F525 R526 F528 V537 L572 I603 K604	F525-E535 CarbonylContact C-O 3.54Å; F525-E535 WeakPolarHBondContact CA-O 3.49Å; F525-E535 WeakPolarHBondContact CB-O 3.4Å; R526-E535 HydrophobicContact CB-CB 4.42Å; R526-E535 PolarHBondContact N-O 3.36Å; R526-E535 PolarHBondContact O-N 3.17Å; F528-E535 HydrophobicContact CE2-CB 3.98Å; E535-V537 HydrophobicContact CG-CG2 3.92Å; E535-L572 CarbonylContact C-O 3.55Å; E535-L572 WeakPolarHBondContact CA-O 3.38Å; E535-I603 HydrophobicContact CB-CG2 4.1Å; E535-I603 HydrophobicContact CG-CB 4.4Å; E535-I603 HydrophobicContact CG-CG2 4.01Å; E535-I603 WeakPolarHBondContact OE1-CA 3.49Å; E535-I603 WeakPolarHBondContact OE1-CB 3.4Å; E535-K604 PolarHBondContact OE1-N 3.28Å
536	I	93.8	Very high	83.4	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.1	166.9	-62.1	177.8	0	0	0	107.6	I523 C539 M556 L559 F571 L572 T573 F588	I523-I536 HydrophobicContact CG2-CG2 3.71Å; I536-C539 HydrophobicContact CG2-CB 4.44Å; I536-M556 HydrophobicContact CD1-CE 4.17Å; I536-M556 HydrophobicContact CD1-SD 4.35Å; I536-L559 HydrophobicContact CD1-CD2 3.87Å; I536-L559 HydrophobicContact CG1-CD2 4.36Å; I536-F571 HydrophobicContact CD1-CB 4.32Å; I536-F571 HydrophobicContact CD1-CD2 4.03Å; I536-F571 HydrophobicContact CD1-CG 4.21Å; I536-L572 PolarHBondContact N-O 3.49Å; I536-T573 PolarHBondContact O-OG1 3.18Å; I536-F588 HydrophobicContact CD1-CE1 4.46Å; I536-F588 HydrophobicContact CD1-CZ 3.84Å
537	V	91.9	Very high	81.2	Confident	20 Å²	20	43.1 Å²	43.1	12%	0.121	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-47.4	-171.5	-179.5	0	0	0	0	110.9	L502 C524 E535	L502-V537 HydrophobicContact CD1-CG1 4Å; C524-V537 PolarHBondContact O-N 2.94Å; E535-V537 HydrophobicContact CG-CG2 3.92Å
538	F	91.8	Very high	79.2	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.7	176	-53.6	-53.6	0	0	0	110.7	F487 L491 M494 Y498 I499 L502 V503 I523 C524	F487-F538 HydrophobicContact CD1-CB 3.67Å; F487-F538 HydrophobicContact CD1-CG 4.45Å; F487-F538 HydrophobicContact CD2-CB 4.41Å; F487-F538 HydrophobicContact CD2-CD2 4.32Å; F487-F538 HydrophobicContact CE1-CB 3.59Å; F487-F538 HydrophobicContact CE2-CB 4.33Å; F487-F538 HydrophobicContact CG-CB 4.12Å; F487-F538 HydrophobicContact CG-CG 4.46Å; F487-F538 HydrophobicContact CZ-CB 3.95Å; L491-F538 HydrophobicContact CD1-CB 4.15Å; L491-F538 HydrophobicContact CD1-CD1 3.77Å; L491-F538 HydrophobicContact CD1-CG 4.26Å; M494-F538 HydrophobicContact CG-CE1 4.41Å; Y498-F538 HydrophobicContact CD1-CZ 4.07Å; Y498-F538 HydrophobicContact CE1-CE1 4.32Å; Y498-F538 HydrophobicContact CE1-CZ 4.04Å; I499-F538 HydrophobicContact CB-CE2 4.32Å; I499-F538 HydrophobicContact CB-CZ 4.28Å; I499-F538 HydrophobicContact CG1-CE1 4.23Å; I499-F538 HydrophobicContact CG1-CE2 4.33Å; I499-F538 HydrophobicContact CG1-CZ 3.89Å; I499-F538 HydrophobicContact CG2-CE2 4.19Å; L502-F538 HydrophobicContact CB-CE2 3.98Å; L502-F538 HydrophobicContact CB-CZ 4.45Å; L502-F538 HydrophobicContact CD1-CE2 4.2Å; L502-F538 HydrophobicContact CD1-CZ 3.87Å; V503-F538 HydrophobicContact CG2-CD2 4.26Å; V503-F538 HydrophobicContact CG2-CE2 4.32Å; I523-F538 CarbonylContact C-O 3.49Å; I523-F538 VanDerWaalsContact CA-O 3.27Å; I523-F538 WeakPolarHBondContact CA-O 3.35Å; I523-F538 WeakPolarHBondContact CG2-O 3.33Å; C524-F538 HydrophobicContact CB-CB 4.02Å; C524-F538 HydrophobicContact CB-CD2 3.88Å; C524-F538 HydrophobicContact CB-CG 4.39Å; C524-F538 PolarHBondContact N-O 3.08Å; C524-F538 PolarHBondContact O-N 3.06Å; C524-F538 VanDerWaalsContact O-N 3.15Å
539	C	90.8	Very high	77.6	Confident	31 Å²	31	52.4 Å²	52.4	21%	0.209	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	109.4	174.7	171.6	0	0	0	0	108.8	I523 I536 F583	I523-C539 HydrophobicContact CG1-CB 4.12Å; I536-C539 HydrophobicContact CG2-CB 4.44Å; C539-F583 HydrophobicContact CB-CZ 4.28Å
540	A	88.8	Confident	76.8	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.1	-178.2	0	0	0	0	0	112.3	V486 F487 Q490 G521 G522	V486-A540 HydrophobicContact CG1-CB 4.33Å; F487-A540 HydrophobicContact CD1-CB 3.61Å; F487-A540 HydrophobicContact CE1-CB 3.92Å; Q490-A540 HydrophobicContact CB-CB 3.84Å; Q490-A540 HydrophobicContact CG-CB 4.2Å; G521-A540 CarbonylContact C-O 3.54Å; G521-A540 VanDerWaalsContact CA-O 3.29Å; G521-A540 WeakPolarHBondContact CA-O 3.38Å; G522-A540 PolarHBondContact N-O 3.05Å; G522-A540 PolarHBondContact O-N 3.33Å; G522-A540 VanDerWaalsContact O-N 3.09Å
541	V	85.7	Confident	76.5	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.5	171.5	-179.3	0	0	0	0	106.5	Q546 L555	V541-Q546 HydrophobicContact CB-CB 4.28Å; V541-Q546 HydrophobicContact CB-CG 4.02Å; V541-Q546 HydrophobicContact CG1-CB 4.27Å; V541-Q546 HydrophobicContact CG1-CG 4.49Å; V541-Q546 PolarHBondContact O-NE2 3.46Å; V541-L555 HydrophobicContact CG2-CD2 4.26Å
542	T	82.6	Confident	76.5	Confident	34 Å²	34	40.3 Å²	40.3	21%	0.209	22%	0.223	C	C	.	.			trans	-57.9	136	179	51.1	0	0	0	0	112.3	V486 I520 N544 E545 Q546	V486-T542 HydrophobicContact CG1-CG2 4.04Å; V486-T542 HydrophobicContact CG2-CG2 3.73Å; I520-T542 WeakPolarHBondContact O-CG2 3.45Å; I520-T542 PolarHBondContact O-N 3.05Å; I520-T542 PolarHBondContact O-OG1 2.92Å; T542-N544 PolarHBondContact O-N 2.86Å; T542-N544 VanDerWaalsContact O-N 3.13Å; T542-E545 PolarHBondContact O-N 3.44Å; T542-Q546 WeakPolarHBondContact O-CB 3.31Å; T542-Q546 PolarHBondContact O-N 3.03Å; T542-Q546 VanDerWaalsContact O-N 3.14Å
543	S	66.6	Low	76.5	Confident	65 Å²	65	40.9 Å²	40.9	46%	0.455	22%	0.222	S	C	.	.	H	α-helix	trans	-57.3	-34.2	-170.3	-39.4	0	0	0	0	113.6	Q490 E545	Q490-S543 VanDerWaalsContact CD-OG 3.3Å; Q490-S543 PolarHBondContact NE2-OG 3.41Å; Q490-S543 PolarHBondContact OE1-OG 3.46Å; S543-E545 PolarHBondContact O-N 3.12Å
544	N	60.9	Low	76.2	Confident	163 Å²	163	40.9 Å²	40.9	87%	0.872	22%	0.222	S	C	*	.	H	α-helix	trans	-62.5	-23.1	179.3	-68.6	8.5	0	0	0	113.2	T542	T542-N544 PolarHBondContact O-N 2.86Å; T542-N544 VanDerWaalsContact O-N 3.13Å
545	E	58.8	Low	76.1	Confident	35 Å²	35	40.9 Å²	40.9	16%	0.164	22%	0.222	C	C	.	.	H	α-helix	trans	-115.7	-19.8	-172.8	-61.2	-147.1	137.6	0	0	113.6	K515 I520 T542 S543 V547 Y551	K515-E545 IonicContact NZ-OE1 3.83Å; K515-E545 PolarHBondContact NZ-OE1 3.07Å; K515-E545 IonicContact NZ-OE2 3.26Å; I520-E545 WeakPolarHBondContact CB-OE2 3.47Å; I520-E545 WeakPolarHBondContact CD1-OE2 3.48Å; I520-E545 WeakPolarHBondContact CG2-OE2 3.43Å; T542-E545 PolarHBondContact O-N 3.44Å; S543-E545 PolarHBondContact O-N 3.12Å; E545-V547 PolarHBondContact O-N 2.94Å; E545-Y551 HydrophobicContact CB-CD2 3.91Å; E545-Y551 HydrophobicContact CB-CE2 3.8Å; E545-Y551 HydrophobicContact CG-CE2 4.39Å; E545-Y551 VanDerWaalsContact OE2-CE2 3.31Å; E545-Y551 WeakPolarHBondContact OE2-CE2 3.39Å
546	Q	52	Low	75.9	Confident	84 Å²	84	40.5 Å²	40.5	39%	0.393	22%	0.22	S	C	.	.	H	α-helix	trans	-68.3	-34.5	-169.4	-163.2	172.1	43.5	0	0	114.6	V541 T542	V541-Q546 HydrophobicContact CB-CB 4.28Å; V541-Q546 HydrophobicContact CB-CG 4.02Å; V541-Q546 HydrophobicContact CG1-CB 4.27Å; V541-Q546 HydrophobicContact CG1-CG 4.49Å; V541-Q546 PolarHBondContact O-NE2 3.46Å; T542-Q546 WeakPolarHBondContact O-CB 3.31Å; T542-Q546 PolarHBondContact O-N 3.03Å; T542-Q546 VanDerWaalsContact O-N 3.14Å
547	V	46	Very low	75.7	Confident	102 Å²	102	40.5 Å²	40.5	62%	0.618	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-30.1	-168.1	-177.3	0	0	0	0	114	R446 E545	R446-V547 PolarHBondContact NH1-O 3.18Å; E545-V547 PolarHBondContact O-N 2.94Å
548	K	47.4	Very low	75.6	Confident	185 Å²	185	41.3 Å²	41.3	80%	0.804	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-32.8	-177.1	-76.5	-175.6	178.2	176.4	0	114.5
549	K	56.5	Low	75.6	Confident	61 Å²	61	41.1 Å²	41.1	27%	0.265	22%	0.222	S	C	.	.	S	Bend	trans	-103.8	-7.7	-166.5	-67.6	-161.5	173.2	-154.7	0	117.4	E453 Y551	E453-K549 IonicContact OE1-NZ 3.42Å; E453-K549 PolarHBondContact OE1-NZ 3.37Å; E453-K549 IonicContact OE2-NZ 2.66Å; E453-K549 PolarHBondContact OE2-NZ 2.61Å; K549-Y551 VanDerWaalsContact C-N 3.27Å; K549-Y551 HydrophobicContact CB-CD2 3.94Å; K549-Y551 HydrophobicContact CB-CE1 4.29Å; K549-Y551 HydrophobicContact CB-CE2 3.71Å; K549-Y551 HydrophobicContact CB-CG 4.36Å; K549-Y551 HydrophobicContact CD-CE1 4.37Å; K549-Y551 HydrophobicContact CD-CE2 3.65Å; K549-Y551 VanDerWaalsContact CD-CZ 3.48Å; K549-Y551 WeakPolarHBondContact CD-OH 3.39Å; K549-Y551 HydrophobicContact CG-CE2 4.28Å; K549-Y551 PolarHBondContact NZ-OH 3.46Å; K549-Y551 PolarHBondContact O-N 3.17Å
550	G	68.4	Low	75.7	Confident	10 Å²	10	40 Å²	40	10%	0.103	21%	0.213	C	C	.	.			trans	75.9	2.5	172.2	0	0	0	0	0	116.8	G552 T553 H554	G550-G552 PolarHBondContact O-N 3.13Å; G550-T553 PolarHBondContact O-N 3.4Å; G550-H554 PolarHBondContact O-N 2.97Å
551	Y	80.3	Confident	75.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-48.1	-35.6	-177.4	-62.3	-48.9	0	0	0	114.7	A450 E453 I459 L513 I520 E545 K549 T553 H554 L555	A450-Y551 HydrophobicContact CB-CD1 3.79Å; A450-Y551 HydrophobicContact CB-CE1 4.18Å; E453-Y551 PolarHBondContact OE2-OH 3.01Å; I459-Y551 HydrophobicContact CD1-CD1 4.15Å; I459-Y551 HydrophobicContact CD1-CE1 3.91Å; I459-Y551 HydrophobicContact CG2-CE1 4.17Å; L513-Y551 HydrophobicContact CD2-CD1 4.25Å; L513-Y551 HydrophobicContact CD2-CG 3.96Å; I520-Y551 HydrophobicContact CD1-CD2 4.15Å; I520-Y551 HydrophobicContact CD1-CE2 3.96Å; E545-Y551 HydrophobicContact CB-CD2 3.91Å; E545-Y551 HydrophobicContact CB-CE2 3.8Å; E545-Y551 HydrophobicContact CG-CE2 4.39Å; E545-Y551 VanDerWaalsContact OE2-CE2 3.31Å; E545-Y551 WeakPolarHBondContact OE2-CE2 3.39Å; K549-Y551 VanDerWaalsContact C-N 3.27Å; K549-Y551 HydrophobicContact CB-CD2 3.94Å; K549-Y551 HydrophobicContact CB-CE1 4.29Å; K549-Y551 HydrophobicContact CB-CE2 3.71Å; K549-Y551 HydrophobicContact CB-CG 4.36Å; K549-Y551 HydrophobicContact CD-CE1 4.37Å; K549-Y551 HydrophobicContact CD-CE2 3.65Å; K549-Y551 VanDerWaalsContact CD-CZ 3.48Å; K549-Y551 WeakPolarHBondContact CD-OH 3.39Å; K549-Y551 HydrophobicContact CG-CE2 4.28Å; K549-Y551 PolarHBondContact NZ-OH 3.46Å; K549-Y551 PolarHBondContact O-N 3.17Å; Y551-T553 PolarHBondContact O-N 2.84Å; Y551-H554 PolarHBondContact O-N 3.24Å; Y551-L555 WeakPolarHBondContact O-CB 3.42Å; Y551-L555 PolarHBondContact O-N 2.8Å
552	G	83.7	Confident	75.9	Confident	12 Å²	12	44.4 Å²	44.4	12%	0.124	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-37.5	177.5	0	0	0	0	0	114.1	G550 M556 Y582	G550-G552 PolarHBondContact O-N 3.13Å; G552-M556 PolarHBondContact O-N 2.63Å; G552-Y582 PolarHBondContact O-OH 2.86Å
553	T	84.4	Confident	76.3	Confident	33 Å²	33	42.8 Å²	42.8	20%	0.202	22%	0.222	C	C	.	.	H	α-helix	trans	-69.2	-42.9	173.6	-60.8	0	0	0	0	110.9	G550 Y551 M556 N557 Q586	G550-T553 PolarHBondContact O-N 3.4Å; Y551-T553 PolarHBondContact O-N 2.84Å; T553-M556 PolarHBondContact O-N 3.46Å; T553-N557 PolarHBondContact O-N 2.92Å; T553-N557 PolarHBondContact O-ND2 3.29Å; T553-Q586 PolarHBondContact OG1-NE2 2.94Å; T553-Q586 VanDerWaalsContact OG1-NE2 3.12Å
554	H	85.5	Confident	77.3	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-44.2	-177.8	-156.3	57	0	0	0	111.6	D447 A450 E454 F461 G550 Y551 M556 N557 H558	D447-H554 IonicContact OD1-CG 3.16Å; D447-H554 IonicContact OD1-ND1 2.62Å; D447-H554 PolarHBondContact OD1-ND1 2.85Å; A450-H554 HydrophobicContact CB-CB 3.89Å; E454-H554 IonicContact OE2-CE1 3.93Å; E454-H554 IonicContact OE2-NE2 2.97Å; E454-H554 PolarHBondContact OE2-NE2 3.13Å; E454-H554 VanDerWaalsContact OE2-NE2 3.16Å; F461-H554 AromaticContact CE2-CD2 3.57Å; F461-H554 AromaticContact CZ-CD2 3.53Å; G550-H554 PolarHBondContact O-N 2.97Å; Y551-H554 PolarHBondContact O-N 3.24Å; H554-M556 VanDerWaalsContact C-N 3.33Å; H554-M556 PolarHBondContact O-N 3.11Å; H554-N557 WeakPolarHBondContact O-CB 3.41Å; H554-N557 PolarHBondContact O-N 3.44Å; H554-N557 VanDerWaalsContact O-N 3.12Å; H554-H558 AromaticContact CD2-CD2 3.98Å; H554-H558 AromaticContact NE2-CD2 3.98Å; H554-H558 AromaticContact NE2-NE2 3.59Å; H554-H558 PolarHBondContact O-CD2 3.08Å; H554-H558 PolarHBondContact O-N 3.13Å
555	L	88.6	Confident	78.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.7	-40.3	172.5	-177.8	65.1	0	0	0	112.8	F461 L511 L513 I523 V541 Y551 L559	F461-L555 HydrophobicContact CD1-CD1 3.86Å; F461-L555 HydrophobicContact CE1-CB 4.03Å; F461-L555 HydrophobicContact CE1-CD1 3.67Å; F461-L555 HydrophobicContact CE1-CG 4.47Å; L511-L555 HydrophobicContact CB-CD1 4.41Å; L511-L555 HydrophobicContact CD2-CD1 3.57Å; L511-L555 HydrophobicContact CD2-CG 4.36Å; L511-L555 WeakPolarHBondContact CD2-O 3.38Å; L511-L555 HydrophobicContact CG-CD1 3.64Å; L513-L555 HydrophobicContact CB-CD1 4.23Å; I523-L555 HydrophobicContact CD1-CD2 4.11Å; I523-L555 HydrophobicContact CD1-CG 3.8Å; I523-L555 HydrophobicContact CG1-CD2 3.76Å; I523-L555 HydrophobicContact CG1-CG 3.9Å; V541-L555 HydrophobicContact CG2-CD2 4.26Å; Y551-L555 WeakPolarHBondContact O-CB 3.42Å; Y551-L555 PolarHBondContact O-N 2.8Å; L555-L559 WeakPolarHBondContact O-CB 3.39Å; L555-L559 PolarHBondContact O-N 3.28Å
556	M	90.3	Very high	79.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.9	-35.4	175	-174.1	62.4	66.2	0	0	112.5	I523 I536 G552 T553 H554 L559 K560 F571 Y582 F583 Q586 F588	I523-M556 HydrophobicContact CD1-CE 3.79Å; I523-M556 HydrophobicContact CD1-SD 4.41Å; I536-M556 HydrophobicContact CD1-CE 4.17Å; I536-M556 HydrophobicContact CD1-SD 4.35Å; G552-M556 PolarHBondContact O-N 2.63Å; T553-M556 PolarHBondContact O-N 3.46Å; H554-M556 VanDerWaalsContact C-N 3.33Å; H554-M556 PolarHBondContact O-N 3.11Å; M556-L559 PolarHBondContact O-N 3.18Å; M556-L559 HydrophobicContact SD-CD2 3.99Å; M556-K560 VanDerWaalsContact O-CG 3.27Å; M556-K560 WeakPolarHBondContact O-CG 3.42Å; M556-K560 PolarHBondContact O-N 3.12Å; M556-F571 HydrophobicContact SD-CE2 4.49Å; M556-Y582 HydrophobicContact CE-CE1 4.14Å; M556-F583 HydrophobicContact CE-CE1 4.14Å; M556-Q586 HydrophobicContact CB-CG 4.37Å; M556-Q586 HydrophobicContact CG-CB 4Å; M556-Q586 HydrophobicContact CG-CG 3.9Å; M556-F588 HydrophobicContact CE-CE2 4.41Å; M556-F588 HydrophobicContact SD-CE2 4.3Å
557	N	89.6	Confident	81.6	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.027	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-44.5	176.4	-70.8	-21.3	0	0	0	111.5	T553 H554 K560 E561 Y622	T553-N557 PolarHBondContact O-N 2.92Å; T553-N557 PolarHBondContact O-ND2 3.29Å; H554-N557 WeakPolarHBondContact O-CB 3.41Å; H554-N557 PolarHBondContact O-N 3.44Å; H554-N557 VanDerWaalsContact O-N 3.12Å; N557-K560 PolarHBondContact O-N 3.12Å; N557-E561 PolarHBondContact O-N 3.47Å; N557-E561 VanDerWaalsContact O-N 3.08Å; N557-Y622 VanDerWaalsContact CG-O 3.31Å; N557-Y622 PolarHBondContact ND2-O 2.85Å
558	H	89.7	Confident	83.6	Confident	37 Å²	37	41 Å²	41	17%	0.171	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-42.5	171.6	-83.6	-72.7	0	0	0	112.4	E454 F461 L511 H554 K560 E561 Y562	E454-H558 IonicContact OE1-CE1 2.63Å; E454-H558 PolarHBondContact OE1-CE1 2.97Å; E454-H558 IonicContact OE1-NE2 3.05Å; E454-H558 PolarHBondContact OE1-NE2 3.41Å; E454-H558 IonicContact OE2-CE1 3.7Å; E454-H558 IonicContact OE2-NE2 3.73Å; E454-H558 PolarHBondContact OE2-NE2 2.97Å; F461-H558 HydrophobicContact CD1-CB 4.39Å; F461-H558 AromaticContact CD2-CD2 3.57Å; F461-H558 AromaticContact CD2-NE2 3.5Å; F461-H558 AromaticContact CE2-CD2 3.41Å; F461-H558 VanDerWaalsContact CE2-CD2 3.41Å; F461-H558 WeakPolarHBondContact CE2-CD2 3.37Å; F461-H558 AromaticContact CE2-NE2 3.46Å; F461-H558 WeakPolarHBondContact CE2-NE2 3.27Å; F461-H558 AromaticContact CG-CD2 3.95Å; F461-H558 AromaticContact CZ-CD2 3.64Å; L511-H558 HydrophobicContact CD2-CB 4.21Å; H554-H558 AromaticContact CD2-CD2 3.98Å; H554-H558 AromaticContact NE2-CD2 3.98Å; H554-H558 AromaticContact NE2-NE2 3.59Å; H554-H558 PolarHBondContact O-CD2 3.08Å; H554-H558 PolarHBondContact O-N 3.13Å; H558-K560 VanDerWaalsContact C-N 3.35Å; H558-K560 PolarHBondContact O-N 3.18Å; H558-E561 PolarHBondContact O-N 3.35Å; H558-Y562 PolarHBondContact O-N 3.41Å
559	L	91.9	Very high	85.6	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-42.3	175.3	-172.6	74	0	0	0	112.6	L511 I523 F525 I536 L555 M556 H563 F571	L511-L559 HydrophobicContact CB-CD1 4.26Å; L511-L559 HydrophobicContact CD2-CB 3.85Å; L511-L559 HydrophobicContact CD2-CD1 4.13Å; I523-L559 HydrophobicContact CB-CD2 4.41Å; I523-L559 HydrophobicContact CD1-CD2 3.88Å; I523-L559 HydrophobicContact CG2-CD2 3.85Å; F525-L559 HydrophobicContact CD1-CD1 3.56Å; F525-L559 HydrophobicContact CE1-CD1 3.52Å; F525-L559 HydrophobicContact CG-CD1 4.18Å; F525-L559 HydrophobicContact CZ-CD1 4.11Å; I536-L559 HydrophobicContact CD1-CD2 3.87Å; I536-L559 HydrophobicContact CG1-CD2 4.36Å; L555-L559 WeakPolarHBondContact O-CB 3.39Å; L555-L559 PolarHBondContact O-N 3.28Å; M556-L559 PolarHBondContact O-N 3.18Å; M556-L559 HydrophobicContact SD-CD2 3.99Å; L559-H563 PolarHBondContact O-N 3.46Å; L559-H563 VanDerWaalsContact O-N 3.16Å; L559-H563 PolarHBondContact O-ND1 2.93Å; L559-F571 HydrophobicContact CD2-CE2 4.17Å; L559-F571 HydrophobicContact CD2-CZ 4.24Å; L559-F571 HydrophobicContact CG-CE2 4.41Å; L559-F571 HydrophobicContact CG-CZ 4.14Å
560	K	91.4	Very high	87.3	Confident	7 Å²	7	34.4 Å²	34.4	3%	0.03	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-46.6	177.7	-73.2	172.4	177.2	171.9	0	111.6	M556 N557 H558 Y562 H563 I564 F571 Q586 L616 Y622	M556-K560 VanDerWaalsContact O-CG 3.27Å; M556-K560 WeakPolarHBondContact O-CG 3.42Å; M556-K560 PolarHBondContact O-N 3.12Å; N557-K560 PolarHBondContact O-N 3.12Å; H558-K560 VanDerWaalsContact C-N 3.35Å; H558-K560 PolarHBondContact O-N 3.18Å; K560-Y562 VanDerWaalsContact C-N 3.34Å; K560-Y562 PolarHBondContact O-N 2.88Å; K560-H563 PolarHBondContact O-N 3.42Å; K560-H563 VanDerWaalsContact O-N 3.16Å; K560-I564 VanDerWaalsContact O-CG1 3.3Å; K560-I564 WeakPolarHBondContact O-CG1 3.36Å; K560-I564 PolarHBondContact O-N 2.89Å; K560-F571 HydrophobicContact CG-CE2 3.73Å; K560-F571 HydrophobicContact CG-CZ 4.42Å; K560-Q586 PolarHBondContact NZ-O 3.28Å; K560-L616 HydrophobicContact CB-CD1 4.32Å; K560-L616 HydrophobicContact CB-CD2 4.35Å; K560-L616 HydrophobicContact CD-CD2 3.89Å; K560-L616 HydrophobicContact CG-CD1 4.26Å; K560-L616 HydrophobicContact CG-CD2 3.67Å; K560-Y622 HydrophobicContact CB-CD2 4.04Å; K560-Y622 HydrophobicContact CB-CG 4.02Å; K560-Y622 HydrophobicContact CD-CD1 3.52Å; K560-Y622 HydrophobicContact CD-CD2 4.31Å; K560-Y622 HydrophobicContact CD-CE1 3.83Å; K560-Y622 HydrophobicContact CD-CG 3.78Å
561	E	88.8	Confident	88.5	Confident	47 Å²	47	33.9 Å²	33.9	22%	0.22	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-39.2	-179.9	-162.3	-176.5	130.1	0	0	112	N557 H558 H563 I564 K565 T623	N557-E561 PolarHBondContact O-N 3.47Å; N557-E561 VanDerWaalsContact O-N 3.08Å; H558-E561 PolarHBondContact O-N 3.35Å; E561-H563 VanDerWaalsContact C-N 3.31Å; E561-H563 PolarHBondContact O-N 3.29Å; E561-I564 PolarHBondContact O-N 3.01Å; E561-K565 WeakPolarHBondContact O-CG 3.23Å; E561-K565 PolarHBondContact O-N 2.93Å; E561-K565 WeakPolarHBondContact OE1-CE 3.44Å; E561-K565 IonicContact OE1-NZ 3.7Å; E561-K565 PolarHBondContact OE1-NZ 3.46Å; E561-T623 WeakPolarHBondContact OE2-CB 3.42Å; E561-T623 WeakPolarHBondContact OE2-CG2 3.23Å; E561-T623 PolarHBondContact OE2-OG1 3Å
562	Y	90.3	Very high	89.1	Confident	50 Å²	50	34 Å²	34	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-56.6	-43.8	171.5	179.9	-101.6	0	0	0	112.2	V463 K509 F525 M527 H558 K560 K565 H566	V463-Y562 HydrophobicContact CB-CE2 4.41Å; V463-Y562 HydrophobicContact CG1-CE1 4.34Å; V463-Y562 HydrophobicContact CG1-CE2 4.35Å; V463-Y562 HydrophobicContact CG2-CD2 3.95Å; V463-Y562 HydrophobicContact CG2-CE2 3.95Å; V463-Y562 HydrophobicContact CG2-CG 4.25Å; K509-Y562 PolarHBondContact NZ-OH 3.5Å; K509-Y562 VanDerWaalsContact NZ-OH 3.14Å; F525-Y562 HydrophobicContact CE2-CD1 4.45Å; F525-Y562 HydrophobicContact CE2-CE1 4.06Å; F525-Y562 HydrophobicContact CZ-CD1 4.09Å; F525-Y562 AromaticContact CZ-CE1 3.81Å; F525-Y562 HydrophobicContact CZ-CE1 3.81Å; M527-Y562 HydrophobicContact CE-CE1 4.3Å; M527-Y562 HydrophobicContact SD-CE1 4.15Å; H558-Y562 PolarHBondContact O-N 3.41Å; K560-Y562 VanDerWaalsContact C-N 3.34Å; K560-Y562 PolarHBondContact O-N 2.88Å; Y562-K565 PolarHBondContact O-N 2.78Å; Y562-H566 AromaticContact CD1-CD2 3.98Å; Y562-H566 AromaticContact CE1-CD2 3.58Å; Y562-H566 AromaticContact CE1-NE2 3.94Å; Y562-H566 AromaticContact CE2-CD2 3.63Å; Y562-H566 AromaticContact CE2-NE2 3.31Å; Y562-H566 VanDerWaalsContact CE2-NE2 3.31Å; Y562-H566 WeakPolarHBondContact CE2-NE2 3.33Å; Y562-H566 AromaticContact CZ-CD2 3.38Å; Y562-H566 AromaticContact CZ-NE2 3.22Å; Y562-H566 PolarHBondContact O-CD2 2.96Å; Y562-H566 VanDerWaalsContact O-CD2 3.22Å; Y562-H566 PolarHBondContact O-N 3.09Å; Y562-H566 PolarHBondContact OH-NE2 3.35Å
563	H	90.3	Very high	89.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-74.6	-33.8	-179.5	-76.4	88.4	0	0	0	113.9	F525 T534 L559 K560 E561 K565 H566 N567 I568 F571 L616	F525-H563 AromaticContact CD2-CE1 3.5Å; F525-H563 VanDerWaalsContact CD2-CE1 3.5Å; F525-H563 WeakPolarHBondContact CD2-CE1 3.49Å; F525-H563 AromaticContact CD2-NE2 3.48Å; F525-H563 WeakPolarHBondContact CD2-NE2 3.33Å; F525-H563 AromaticContact CE2-CE1 3.33Å; F525-H563 WeakPolarHBondContact CE2-CE1 3.35Å; F525-H563 AromaticContact CE2-NE2 3.41Å; F525-H563 WeakPolarHBondContact CE2-NE2 3.39Å; F525-H563 AromaticContact CZ-CE1 3.84Å; T534-H563 PolarHBondContact OG1-CD2 2.99Å; T534-H563 PolarHBondContact OG1-NE2 3.37Å; L559-H563 PolarHBondContact O-N 3.46Å; L559-H563 VanDerWaalsContact O-N 3.16Å; L559-H563 PolarHBondContact O-ND1 2.93Å; K560-H563 PolarHBondContact O-N 3.42Å; K560-H563 VanDerWaalsContact O-N 3.16Å; E561-H563 VanDerWaalsContact C-N 3.31Å; E561-H563 PolarHBondContact O-N 3.29Å; H563-K565 VanDerWaalsContact C-N 3.33Å; H563-H566 CarbonylContact O-C 3.51Å; H563-H566 VanDerWaalsContact O-C 3.31Å; H563-H566 WeakPolarHBondContact O-CA 3.48Å; H563-H566 PolarHBondContact O-N 3.09Å; H563-H566 VanDerWaalsContact O-N 3.08Å; H563-N567 PolarHBondContact O-N 2.93Å; H563-I568 CarbonylContact C-O 3.5Å; H563-I568 HydrophobicContact CB-CB 4.4Å; H563-I568 PolarHBondContact O-N 3.17Å; H563-F571 HydrophobicContact CB-CE1 3.73Å; H563-F571 HydrophobicContact CB-CZ 3.8Å; H563-F571 AromaticContact CD2-CE1 3.74Å; H563-F571 AromaticContact CG-CE1 3.4Å; H563-F571 AromaticContact CG-CZ 3.63Å; H563-F571 AromaticContact ND1-CE1 3.61Å; H563-F571 AromaticContact ND1-CZ 3.51Å; H563-L616 HydrophobicContact CB-CD1 4.35Å
564	I	88.6	Confident	89.8	Confident	35 Å²	35	34.6 Å²	34.6	18%	0.179	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-42.4	172	-68.6	162	0	0	0	110.2	K560 E561 H566 N567 L616 P618 Y622	K560-I564 VanDerWaalsContact O-CG1 3.3Å; K560-I564 WeakPolarHBondContact O-CG1 3.36Å; K560-I564 PolarHBondContact O-N 2.89Å; E561-I564 PolarHBondContact O-N 3.01Å; I564-H566 PolarHBondContact O-N 3.27Å; I564-N567 PolarHBondContact O-N 3.19Å; I564-L616 HydrophobicContact CD1-CB 4.48Å; I564-L616 HydrophobicContact CG1-CB 4.36Å; I564-L616 HydrophobicContact CG1-CD1 4.26Å; I564-P618 HydrophobicContact CG2-CB 4.19Å; I564-Y622 HydrophobicContact CD1-CD2 3.58Å; I564-Y622 HydrophobicContact CD1-CE2 3.55Å
565	K	87.3	Confident	89.9	Confident	148 Å²	148	34.6 Å²	34.6	64%	0.643	16%	0.16	S	C	*	.	H	α-helix	trans	-61.7	-26.6	172.9	-71.4	169.5	-176.4	168.1	0	113.2	E561 Y562 H563	E561-K565 WeakPolarHBondContact O-CG 3.23Å; E561-K565 PolarHBondContact O-N 2.93Å; E561-K565 WeakPolarHBondContact OE1-CE 3.44Å; E561-K565 IonicContact OE1-NZ 3.7Å; E561-K565 PolarHBondContact OE1-NZ 3.46Å; Y562-K565 PolarHBondContact O-N 2.78Å; H563-K565 VanDerWaalsContact C-N 3.33Å
566	H	86.6	Confident	89.8	Confident	95 Å²	95	36.3 Å²	36.3	44%	0.44	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11	174.1	-74.3	-60.2	0	0	0	114.3	M527 Y562 H563 I564 I568	M527-H566 HydrophobicContact CE-CB 3.77Å; Y562-H566 AromaticContact CD1-CD2 3.98Å; Y562-H566 AromaticContact CE1-CD2 3.58Å; Y562-H566 AromaticContact CE1-NE2 3.94Å; Y562-H566 AromaticContact CE2-CD2 3.63Å; Y562-H566 AromaticContact CE2-NE2 3.31Å; Y562-H566 VanDerWaalsContact CE2-NE2 3.31Å; Y562-H566 WeakPolarHBondContact CE2-NE2 3.33Å; Y562-H566 AromaticContact CZ-CD2 3.38Å; Y562-H566 AromaticContact CZ-NE2 3.22Å; Y562-H566 PolarHBondContact O-CD2 2.96Å; Y562-H566 VanDerWaalsContact O-CD2 3.22Å; Y562-H566 PolarHBondContact O-N 3.09Å; Y562-H566 PolarHBondContact OH-NE2 3.35Å; H563-H566 CarbonylContact O-C 3.51Å; H563-H566 VanDerWaalsContact O-C 3.31Å; H563-H566 WeakPolarHBondContact O-CA 3.48Å; H563-H566 PolarHBondContact O-N 3.09Å; H563-H566 VanDerWaalsContact O-N 3.08Å; I564-H566 PolarHBondContact O-N 3.27Å; H566-I568 VanDerWaalsContact C-N 3.26Å; H566-I568 PolarHBondContact O-N 3.45Å
567	N	87.2	Confident	89.5	Confident	131 Å²	131	42.6 Å²	42.6	70%	0.701	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	32.8	180	-161.1	38.8	0	0	0	114.8	H563 I564	H563-N567 PolarHBondContact O-N 2.93Å; I564-N567 PolarHBondContact O-N 3.19Å
568	I	88.6	Confident	89.1	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	23%	0.233	C	C	.	.			trans	-106.4	118.3	172.5	-63.3	-175.2	0	0	0	108.6	M527 P529 H563 H566	M527-I568 HydrophobicContact CB-CD1 4Å; M527-I568 HydrophobicContact CE-CD1 3.66Å; M527-I568 HydrophobicContact CG-CD1 4.37Å; P529-I568 HydrophobicContact CG-CD1 4.41Å; H563-I568 CarbonylContact C-O 3.5Å; H563-I568 HydrophobicContact CB-CB 4.4Å; H563-I568 PolarHBondContact O-N 3.17Å; H566-I568 VanDerWaalsContact C-N 3.26Å; H566-I568 PolarHBondContact O-N 3.45Å
569	L	89.7	Confident	88.7	Confident	45 Å²	45	51 Å²	51	24%	0.236	24%	0.236	C	C	.	.			trans	-108.5	-6.4	-171.2	-59.7	-178.8	0	0	0	114.6	L616 P618	L569-L616 HydrophobicContact CD2-CB 4.45Å; L569-L616 PolarHBondContact O-N 3.33Å; L569-P618 HydrophobicContact CD2-CB 4.27Å; L569-P618 HydrophobicContact CD2-CG 4.43Å
570	Y	91.9	Very high	88.4	Confident	61 Å²	61	52.3 Å²	52.3	24%	0.239	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130	-178.2	-61.9	-83.4	0	0	0	111.5	F533 T534 V594 C614 E615	F533-Y570 CarbonylContact C-O 3.48Å; F533-Y570 WeakPolarHBondContact CA-O 3.38Å; T534-Y570 PolarHBondContact N-O 3.33Å; Y570-V594 HydrophobicContact CD1-CG2 3.57Å; Y570-V594 HydrophobicContact CD2-CG2 4.41Å; Y570-V594 HydrophobicContact CE1-CG2 4.02Å; Y570-V594 HydrophobicContact CG-CG2 3.8Å; Y570-C614 WeakPolarHBondContact CA-O 3.22Å; Y570-E615 HydrophobicContact CD1-CB 4.46Å; Y570-E615 HydrophobicContact CD1-CG 4.5Å; Y570-E615 HydrophobicContact CE1-CB 4.29Å; Y570-E615 HydrophobicContact CE1-CG 3.94Å
571	F	94.2	Very high	88.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.4	167.2	-66.1	-23.3	0	0	0	110.5	T534 I536 M556 L559 K560 H563 F588 E613 C614 L616	T534-F571 HydrophobicContact CG2-CD1 4.27Å; T534-F571 HydrophobicContact CG2-CE1 4.3Å; T534-F571 WeakPolarHBondContact O-CA 3.29Å; I536-F571 HydrophobicContact CD1-CB 4.32Å; I536-F571 HydrophobicContact CD1-CD2 4.03Å; I536-F571 HydrophobicContact CD1-CG 4.21Å; M556-F571 HydrophobicContact SD-CE2 4.49Å; L559-F571 HydrophobicContact CD2-CE2 4.17Å; L559-F571 HydrophobicContact CD2-CZ 4.24Å; L559-F571 HydrophobicContact CG-CE2 4.41Å; L559-F571 HydrophobicContact CG-CZ 4.14Å; K560-F571 HydrophobicContact CG-CE2 3.73Å; K560-F571 HydrophobicContact CG-CZ 4.42Å; H563-F571 HydrophobicContact CB-CE1 3.73Å; H563-F571 HydrophobicContact CB-CZ 3.8Å; H563-F571 AromaticContact CD2-CE1 3.74Å; H563-F571 AromaticContact CG-CE1 3.4Å; H563-F571 AromaticContact CG-CZ 3.63Å; H563-F571 AromaticContact ND1-CE1 3.61Å; H563-F571 AromaticContact ND1-CZ 3.51Å; F571-F588 HydrophobicContact CB-CE1 3.81Å; F571-F588 HydrophobicContact CB-CZ 3.82Å; F571-F588 AromaticContact CD2-CZ 3.97Å; F571-F588 HydrophobicContact CD2-CZ 3.97Å; F571-F588 HydrophobicContact CG-CZ 4.4Å; F571-E613 CarbonylContact O-C 3.54Å; F571-E613 VanDerWaalsContact O-CA 3.28Å; F571-E613 WeakPolarHBondContact O-CA 3.48Å; F571-C614 HydrophobicContact CB-CB 4.2Å; F571-C614 PolarHBondContact N-O 3.07Å; F571-C614 PolarHBondContact O-N 3.18Å; F571-L616 HydrophobicContact CD2-CD1 4.41Å; F571-L616 HydrophobicContact CD2-CD2 4.29Å; F571-L616 HydrophobicContact CE1-CD1 4.08Å; F571-L616 HydrophobicContact CE2-CD1 3.93Å; F571-L616 HydrophobicContact CE2-CD2 4.24Å; F571-L616 HydrophobicContact CZ-CD1 3.75Å
572	L	93.1	Very high	88.1	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140	169.7	-64.8	176.3	0	0	0	108.9	F533 T534 E535 I536 I592 Y599 M612 E613	F533-L572 HydrophobicContact CD2-CB 4.42Å; F533-L572 HydrophobicContact CD2-CD1 3.85Å; F533-L572 HydrophobicContact CD2-CG 4.26Å; F533-L572 HydrophobicContact CE2-CD1 4.14Å; F533-L572 HydrophobicContact CG-CD1 4.24Å; T534-L572 PolarHBondContact O-N 3.26Å; E535-L572 CarbonylContact C-O 3.55Å; E535-L572 WeakPolarHBondContact CA-O 3.38Å; I536-L572 PolarHBondContact N-O 3.49Å; L572-I592 HydrophobicContact CD2-CG2 4.26Å; L572-Y599 VanDerWaalsContact CD1-CB 3.45Å; L572-Y599 HydrophobicContact CD1-CD1 4.06Å; L572-Y599 HydrophobicContact CD1-CG 3.82Å; L572-M612 WeakPolarHBondContact CA-O 3.4Å; L572-E613 HydrophobicContact CD2-CB 3.83Å; L572-E613 HydrophobicContact CD2-CG 4.02Å
573	T	92.2	Very high	88	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	143.1	178.1	-166.4	0	0	0	0	110	I536 F583 F588 M612	I536-T573 PolarHBondContact O-OG1 3.18Å; T573-F583 HydrophobicContact CG2-CD1 3.93Å; T573-F583 HydrophobicContact CG2-CD2 4.43Å; T573-F583 HydrophobicContact CG2-CE1 3.87Å; T573-F583 HydrophobicContact CG2-CE2 4.37Å; T573-F583 HydrophobicContact CG2-CG 4.22Å; T573-F583 HydrophobicContact CG2-CZ 4.09Å; T573-F588 HydrophobicContact CG2-CD1 3.79Å; T573-F588 HydrophobicContact CG2-CE1 3.69Å; T573-M612 HydrophobicContact CG2-CB 4.12Å; T573-M612 PolarHBondContact N-O 3.2Å; T573-M612 PolarHBondContact O-N 2.98Å
574	Y	90.3	Very high	88	Confident	53 Å²	53	59.6 Å²	59.6	21%	0.208	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	115.9	162.9	-84.6	-75.3	0	0	0	108.6	I603 K604 D605 Y606 A609 L611	Y574-I603 HydrophobicContact CD2-CD1 4.43Å; Y574-I603 HydrophobicContact CE2-CD1 3.69Å; Y574-I603 HydrophobicContact CE2-CG1 4.11Å; Y574-K604 WeakPolarHBondContact CD2-O 3.29Å; Y574-K604 WeakPolarHBondContact CE2-O 3.44Å; Y574-D605 HydrophobicContact CE2-CB 4.5Å; Y574-D605 WeakPolarHBondContact CE2-OD1 3.35Å; Y574-D605 VanDerWaalsContact CZ-OD1 3.25Å; Y574-D605 PolarHBondContact OH-OD1 3.28Å; Y574-Y606 AromaticContact CD2-CD2 3.95Å; Y574-Y606 HydrophobicContact CD2-CD2 3.95Å; Y574-Y606 HydrophobicContact CD2-CE2 4.46Å; Y574-Y606 AromaticContact CG-CD2 3.92Å; Y574-Y606 HydrophobicContact CG-CD2 3.92Å; Y574-A609 HydrophobicContact CD1-CB 3.99Å; Y574-A609 HydrophobicContact CG-CB 4.37Å; Y574-L611 HydrophobicContact CD1-CB 4.14Å; Y574-L611 HydrophobicContact CD2-CD1 4.29Å; Y574-L611 HydrophobicContact CE1-CB 3.67Å; Y574-L611 HydrophobicContact CE1-CD1 4.32Å; Y574-L611 HydrophobicContact CE2-CD1 4.05Å
575	A	88.4	Confident	87.8	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123	-176.5	0	0	0	0	0	111.2	A579 I580 F583 T610 M612	A575-A579 HydrophobicContact CB-CB 4.5Å; A575-I580 HydrophobicContact CB-CG1 4.11Å; A575-F583 HydrophobicContact CB-CD2 3.63Å; A575-F583 HydrophobicContact CB-CE2 3.98Å; A575-F583 HydrophobicContact CB-CG 4.49Å; A575-T610 PolarHBondContact N-O 3.05Å; A575-T610 PolarHBondContact O-N 3.26Å; A575-M612 HydrophobicContact CB-CG 4.31Å; A575-M612 HydrophobicContact CB-SD 3.85Å
576	D	86	Confident	87.8	Confident	36 Å²	36	58.2 Å²	58.2	19%	0.193	28%	0.278	C	S	.	.			trans	-56.6	152.7	164.7	-75.4	-10.1	0	0	0	111	Y578 A579 I580	D576-Y578 PolarHBondContact O-N 2.76Å; D576-Y578 VanDerWaalsContact O-N 3.13Å; D576-A579 WeakPolarHBondContact O-CA 3.31Å; D576-A579 WeakPolarHBondContact O-CB 3.4Å; D576-A579 PolarHBondContact O-N 3.02Å; D576-I580 PolarHBondContact O-N 2.89Å; D576-I580 VanDerWaalsContact O-N 3.07Å
577	E	83	Confident	87.8	Confident	132 Å²	132	56.1 Å²	56.1	62%	0.617	28%	0.281	S	S	*	.	H	α-helix	trans	-51.2	-41	-178.5	-59.6	-172.9	133.3	0	0	113.6	A579	E577-A579 VanDerWaalsContact C-N 3.28Å; E577-A579 PolarHBondContact O-N 3.49Å
578	Y	81.1	Confident	88.1	Confident	190 Å²	190	50.2 Å²	50.2	75%	0.745	25%	0.249	S	C	*	.	H	α-helix	trans	-66.1	-28.1	176.6	-53.7	-67	0	0	0	113.2	D576	D576-Y578 PolarHBondContact O-N 2.76Å; D576-Y578 VanDerWaalsContact O-N 3.13Å
579	A	82.6	Confident	88.2	Confident	29 Å²	29	52.7 Å²	52.7	24%	0.24	27%	0.267	C	S	.	.	H	α-helix	trans	-90.5	-23	-177.4	0	0	0	0	0	113.7	A575 D576 E577 G581 Y582 F583	A575-A579 HydrophobicContact CB-CB 4.5Å; D576-A579 WeakPolarHBondContact O-CA 3.31Å; D576-A579 WeakPolarHBondContact O-CB 3.4Å; D576-A579 PolarHBondContact O-N 3.02Å; E577-A579 VanDerWaalsContact C-N 3.28Å; E577-A579 PolarHBondContact O-N 3.49Å; A579-G581 PolarHBondContact O-N 3.2Å; A579-G581 VanDerWaalsContact O-N 3.14Å; A579-Y582 WeakPolarHBondContact O-CA 3.42Å; A579-Y582 WeakPolarHBondContact O-CB 3.44Å; A579-Y582 PolarHBondContact O-N 3.13Å; A579-F583 HydrophobicContact CB-CD2 3.97Å; A579-F583 HydrophobicContact CB-CE2 3.91Å; A579-F583 WeakPolarHBondContact O-CD2 3.45Å; A579-F583 PolarHBondContact O-N 2.89Å
580	I	85.9	Confident	88.3	Confident	29 Å²	29	56.4 Å²	56.4	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-51	-41.4	177.7	-65.5	173.4	0	0	0	111.3	A575 D576 Y582 F583 K584 M612	A575-I580 HydrophobicContact CB-CG1 4.11Å; D576-I580 PolarHBondContact O-N 2.89Å; D576-I580 VanDerWaalsContact O-N 3.07Å; I580-Y582 VanDerWaalsContact C-N 3.27Å; I580-Y582 PolarHBondContact O-N 2.98Å; I580-F583 PolarHBondContact O-N 3.18Å; I580-K584 VanDerWaalsContact O-CB 3.26Å; I580-K584 WeakPolarHBondContact O-CB 3.24Å; I580-K584 PolarHBondContact O-N 3.04Å; I580-M612 HydrophobicContact CB-SD 4.29Å; I580-M612 HydrophobicContact CG1-SD 4.1Å; I580-M612 HydrophobicContact CG2-CE 4.29Å; I580-M612 HydrophobicContact CG2-SD 4.07Å
581	G	85.2	Confident	88	Confident	39 Å²	39	59 Å²	59	40%	0.402	30%	0.3	S	S	.	.	H	α-helix	trans	-69	-18.5	178.8	0	0	0	0	0	115	A579 K585	A579-G581 PolarHBondContact O-N 3.2Å; A579-G581 VanDerWaalsContact O-N 3.14Å; G581-K585 WeakPolarHBondContact O-CD 3.46Å; G581-K585 WeakPolarHBondContact O-CE 3.42Å; G581-K585 WeakPolarHBondContact O-CG 3.44Å
582	Y	86.9	Confident	87.8	Confident	53 Å²	53	60.9 Å²	60.9	21%	0.208	31%	0.309	C	S	.	.	H	α-helix	trans	-85.1	-53.7	169.6	162.7	-98.7	0	0	0	110.3	G552 M556 A579 I580 K584 K585 Q586	G552-Y582 PolarHBondContact O-OH 2.86Å; M556-Y582 HydrophobicContact CE-CE1 4.14Å; A579-Y582 WeakPolarHBondContact O-CA 3.42Å; A579-Y582 WeakPolarHBondContact O-CB 3.44Å; A579-Y582 PolarHBondContact O-N 3.13Å; I580-Y582 VanDerWaalsContact C-N 3.27Å; I580-Y582 PolarHBondContact O-N 2.98Å; Y582-K584 VanDerWaalsContact C-N 3.31Å; Y582-K584 PolarHBondContact O-N 3.34Å; Y582-K585 WeakPolarHBondContact O-CA 3.29Å; Y582-K585 WeakPolarHBondContact O-CB 3.42Å; Y582-K585 PolarHBondContact O-N 3.39Å; Y582-Q586 HydrophobicContact CD2-CG 4.36Å; Y582-Q586 HydrophobicContact CE1-CG 4.14Å; Y582-Q586 HydrophobicContact CE2-CG 3.92Å; Y582-Q586 PolarHBondContact O-N 3.06Å
583	F	89.4	Confident	87.4	Confident	10 Å²	10	67 Å²	67	4%	0.044	34%	0.336	C	S	.	.	H	α-helix	trans	-58.1	-41.3	-178.8	-76.2	-70.1	0	0	0	112.3	C539 M556 T573 A575 A579 I580 K585 Q586 G587 F588 M612	C539-F583 HydrophobicContact CB-CZ 4.28Å; M556-F583 HydrophobicContact CE-CE1 4.14Å; T573-F583 HydrophobicContact CG2-CD1 3.93Å; T573-F583 HydrophobicContact CG2-CD2 4.43Å; T573-F583 HydrophobicContact CG2-CE1 3.87Å; T573-F583 HydrophobicContact CG2-CE2 4.37Å; T573-F583 HydrophobicContact CG2-CG 4.22Å; T573-F583 HydrophobicContact CG2-CZ 4.09Å; A575-F583 HydrophobicContact CB-CD2 3.63Å; A575-F583 HydrophobicContact CB-CE2 3.98Å; A575-F583 HydrophobicContact CB-CG 4.49Å; A579-F583 HydrophobicContact CB-CD2 3.97Å; A579-F583 HydrophobicContact CB-CE2 3.91Å; A579-F583 WeakPolarHBondContact O-CD2 3.45Å; A579-F583 PolarHBondContact O-N 2.89Å; I580-F583 PolarHBondContact O-N 3.18Å; F583-K585 PolarHBondContact O-N 3Å; F583-Q586 CarbonylContact O-C 3.55Å; F583-Q586 WeakPolarHBondContact O-CA 3.35Å; F583-Q586 PolarHBondContact O-N 3.39Å; F583-G587 PolarHBondContact O-N 3.32Å; F583-F588 HydrophobicContact CB-CB 3.93Å; F583-F588 HydrophobicContact CB-CD2 4.12Å; F583-F588 HydrophobicContact CB-CG 3.97Å; F583-F588 HydrophobicContact CD1-CD1 4.2Å; F583-F588 AromaticContact CD1-CD2 3.81Å; F583-F588 HydrophobicContact CD1-CD2 3.81Å; F583-F588 HydrophobicContact CD1-CE1 4.17Å; F583-F588 AromaticContact CD1-CE2 3.78Å; F583-F588 HydrophobicContact CD1-CE2 3.78Å; F583-F588 HydrophobicContact CD1-CG 4.04Å; F583-F588 AromaticContact CD1-CZ 3.97Å; F583-F588 HydrophobicContact CD1-CZ 3.97Å; F583-F588 HydrophobicContact CE1-CE2 4.42Å; F583-F588 HydrophobicContact CE1-CZ 4.3Å; F583-F588 HydrophobicContact CG-CD2 4.47Å; F583-F588 HydrophobicContact CG-CG 4.45Å; F583-F588 WeakPolarHBondContact O-CB 3.39Å; F583-F588 WeakPolarHBondContact O-CD2 3.37Å; F583-F588 PolarHBondContact O-N 3.42Å; F583-M612 HydrophobicContact CB-CE 4.28Å; F583-M612 HydrophobicContact CB-SD 4Å
584	K	89.3	Confident	87	Confident	155 Å²	155	67.1 Å²	67.1	67%	0.674	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-58.7	-32.5	174.4	-169.8	173.5	-177	176.3	0	113.5	I580 Y582 G587 F588 M612	I580-K584 VanDerWaalsContact O-CB 3.26Å; I580-K584 WeakPolarHBondContact O-CB 3.24Å; I580-K584 PolarHBondContact O-N 3.04Å; Y582-K584 VanDerWaalsContact C-N 3.31Å; Y582-K584 PolarHBondContact O-N 3.34Å; K584-G587 PolarHBondContact O-N 3.45Å; K584-F588 WeakPolarHBondContact CA-O 3.4Å; K584-M612 HydrophobicContact CB-CE 4.46Å
585	K	85	Confident	86.8	Confident	140 Å²	140	68.5 Å²	68.5	61%	0.609	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-75.4	-25.7	174.5	-66.5	167.2	-172.6	159.9	0	112.6	G581 Y582 F583 G587	G581-K585 WeakPolarHBondContact O-CD 3.46Å; G581-K585 WeakPolarHBondContact O-CE 3.42Å; G581-K585 WeakPolarHBondContact O-CG 3.44Å; Y582-K585 WeakPolarHBondContact O-CA 3.29Å; Y582-K585 WeakPolarHBondContact O-CB 3.42Å; Y582-K585 PolarHBondContact O-N 3.39Å; F583-K585 PolarHBondContact O-N 3Å; K585-G587 PolarHBondContact O-N 3.48Å
586	Q	87	Confident	86.6	Confident	14 Å²	14	75.6 Å²	75.6	7%	0.065	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-82.6	3.3	174.6	-56.5	-54	-24	0	0	113.2	T553 M556 K560 Y582 F583 F588	T553-Q586 PolarHBondContact OG1-NE2 2.94Å; T553-Q586 VanDerWaalsContact OG1-NE2 3.12Å; M556-Q586 HydrophobicContact CB-CG 4.37Å; M556-Q586 HydrophobicContact CG-CB 4Å; M556-Q586 HydrophobicContact CG-CG 3.9Å; K560-Q586 PolarHBondContact NZ-O 3.28Å; Y582-Q586 HydrophobicContact CD2-CG 4.36Å; Y582-Q586 HydrophobicContact CE1-CG 4.14Å; Y582-Q586 HydrophobicContact CE2-CG 3.92Å; Y582-Q586 PolarHBondContact O-N 3.06Å; F583-Q586 CarbonylContact O-C 3.55Å; F583-Q586 WeakPolarHBondContact O-CA 3.35Å; F583-Q586 PolarHBondContact O-N 3.39Å; Q586-F588 HydrophobicContact CB-CD2 4Å; Q586-F588 HydrophobicContact CB-CE2 4.12Å
587	G	87.9	Confident	86.4	Confident	50 Å²	50	77.3 Å²	77.3	52%	0.515	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	17.9	179.4	0	0	0	0	0	114.6	F583 K584 K585 C614	F583-G587 PolarHBondContact O-N 3.32Å; K584-G587 PolarHBondContact O-N 3.45Å; K585-G587 PolarHBondContact O-N 3.48Å; G587-C614 PolarHBondContact O-SG 3.47Å
588	F	92.8	Very high	86.4	Confident	7 Å²	7	75.1 Å²	75.1	3%	0.031	40%	0.395	C	S	.	.			trans	-83.5	138.1	172.2	-69.4	-110.7	0	0	0	111.5	I536 M556 F571 T573 F583 K584 Q586 M612 E613 C614	I536-F588 HydrophobicContact CD1-CE1 4.46Å; I536-F588 HydrophobicContact CD1-CZ 3.84Å; M556-F588 HydrophobicContact CE-CE2 4.41Å; M556-F588 HydrophobicContact SD-CE2 4.3Å; F571-F588 HydrophobicContact CB-CE1 3.81Å; F571-F588 HydrophobicContact CB-CZ 3.82Å; F571-F588 AromaticContact CD2-CZ 3.97Å; F571-F588 HydrophobicContact CD2-CZ 3.97Å; F571-F588 HydrophobicContact CG-CZ 4.4Å; T573-F588 HydrophobicContact CG2-CD1 3.79Å; T573-F588 HydrophobicContact CG2-CE1 3.69Å; F583-F588 HydrophobicContact CB-CB 3.93Å; F583-F588 HydrophobicContact CB-CD2 4.12Å; F583-F588 HydrophobicContact CB-CG 3.97Å; F583-F588 HydrophobicContact CD1-CD1 4.2Å; F583-F588 AromaticContact CD1-CD2 3.81Å; F583-F588 HydrophobicContact CD1-CD2 3.81Å; F583-F588 HydrophobicContact CD1-CE1 4.17Å; F583-F588 AromaticContact CD1-CE2 3.78Å; F583-F588 HydrophobicContact CD1-CE2 3.78Å; F583-F588 HydrophobicContact CD1-CG 4.04Å; F583-F588 AromaticContact CD1-CZ 3.97Å; F583-F588 HydrophobicContact CD1-CZ 3.97Å; F583-F588 HydrophobicContact CE1-CE2 4.42Å; F583-F588 HydrophobicContact CE1-CZ 4.3Å; F583-F588 HydrophobicContact CG-CD2 4.47Å; F583-F588 HydrophobicContact CG-CG 4.45Å; F583-F588 WeakPolarHBondContact O-CB 3.39Å; F583-F588 WeakPolarHBondContact O-CD2 3.37Å; F583-F588 PolarHBondContact O-N 3.42Å; K584-F588 WeakPolarHBondContact CA-O 3.4Å; Q586-F588 HydrophobicContact CB-CD2 4Å; Q586-F588 HydrophobicContact CB-CE2 4.12Å; F588-M612 HydrophobicContact CB-CB 4.13Å; F588-M612 HydrophobicContact CB-CE 3.87Å; F588-M612 HydrophobicContact CD1-CB 4.17Å; F588-E613 CarbonylContact C-O 3.52Å; F588-E613 WeakPolarHBondContact CA-O 3.28Å; F588-C614 HydrophobicContact CB-CB 4.4Å; F588-C614 HydrophobicContact CD1-CB 3.64Å; F588-C614 HydrophobicContact CD2-CB 3.63Å; F588-C614 HydrophobicContact CE1-CB 3.65Å; F588-C614 HydrophobicContact CE2-CB 3.63Å; F588-C614 HydrophobicContact CG-CB 3.63Å; F588-C614 HydrophobicContact CZ-CB 3.64Å
589	S	90.9	Very high	86.5	Confident	56 Å²	56	67.1 Å²	67.1	39%	0.392	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-106.4	159.6	173.7	-168.3	0	0	0	0	111.2	D591 M612 E613	S589-D591 WeakPolarHBondContact OG-CB 3.32Å; S589-D591 PolarHBondContact OG-N 3.01Å; S589-D591 VanDerWaalsContact OG-N 3.07Å; S589-M612 CarbonylContact O-C 3.4Å; S589-M612 WeakPolarHBondContact O-CA 3.49Å; S589-M612 WeakPolarHBondContact O-CB 3.26Å; S589-E613 PolarHBondContact N-O 3.36Å; S589-E613 PolarHBondContact O-N 2.93Å
590	K	90.5	Very high	86.6	Confident	123 Å²	123	71.1 Å²	71.1	54%	0.535	38%	0.38	S	S	.	.	S	Bend	trans	-87.2	-14.7	163.9	-64.9	-166	176.1	-151.6	0	112.3	T610 M612	K590-T610 HydrophobicContact CD-CG2 3.83Å; K590-T610 HydrophobicContact CG-CG2 4Å; K590-M612 HydrophobicContact CG-CE 4.37Å
591	D	87.3	Confident	86.3	Confident	116 Å²	116	73.5 Å²	73.5	62%	0.62	41%	0.412	S	S	*	.	S	Bend	trans	-83.2	115.9	173.3	-174.2	29	0	0	0	108	S589	S589-D591 WeakPolarHBondContact OG-CB 3.32Å; S589-D591 PolarHBondContact OG-N 3.01Å; S589-D591 VanDerWaalsContact OG-N 3.07Å
592	I	88.5	Confident	86.1	Confident	39 Å²	39	76.6 Å²	76.6	20%	0.2	41%	0.412	C	S	.	.			trans	-102.2	107.4	-172.2	-47.2	-60.8	0	0	0	108.1	L572 V594 Y599 L611 E613	L572-I592 HydrophobicContact CD2-CG2 4.26Å; I592-V594 HydrophobicContact CG2-CB 4.44Å; I592-Y599 HydrophobicContact CG2-CE1 3.96Å; I592-L611 HydrophobicContact CD1-CD2 4.38Å; I592-L611 HydrophobicContact CD1-CG 4.02Å; I592-L611 HydrophobicContact CG1-CD2 4.22Å; I592-L611 HydrophobicContact CG1-CG 4.37Å; I592-E613 HydrophobicContact CD1-CB 3.58Å; I592-E613 HydrophobicContact CG2-CB 4.34Å
593	K	85.8	Confident	86	Confident	131 Å²	131	74.6 Å²	74.6	57%	0.57	41%	0.405	S	S	*	.			trans	-78.3	-28.3	179.4	-58.9	178.5	-173.7	175.9	0	112.4	E613 E615	K593-E613 WeakPolarHBondContact CB-OE2 3.43Å; K593-E613 WeakPolarHBondContact CG-OE2 3.4Å; K593-E613 VanDerWaalsContact N-CD 3.31Å; K593-E613 PolarHBondContact N-OE1 3.1Å; K593-E613 VanDerWaalsContact N-OE1 3.11Å; K593-E613 PolarHBondContact N-OE2 2.98Å; K593-E615 IonicContact NZ-OE2 3.22Å; K593-E615 PolarHBondContact NZ-OE2 3.4Å
594	V	84.1	Confident	85.5	Confident	6 Å²	6	77.9 Å²	77.9	4%	0.036	42%	0.419	C	S	.	.	S	Bend	trans	-64.3	128	178.2	167.9	0	0	0	0	110.2	Y570 I592 R598 Y599 E613	Y570-V594 HydrophobicContact CD1-CG2 3.57Å; Y570-V594 HydrophobicContact CD2-CG2 4.41Å; Y570-V594 HydrophobicContact CE1-CG2 4.02Å; Y570-V594 HydrophobicContact CG-CG2 3.8Å; I592-V594 HydrophobicContact CG2-CB 4.44Å; V594-R598 HydrophobicContact CG1-CB 3.79Å; V594-R598 HydrophobicContact CG1-CG 4.07Å; V594-Y599 HydrophobicContact CG1-CD1 3.98Å; V594-E613 VanDerWaalsContact CB-OE1 3.26Å; V594-E613 WeakPolarHBondContact CB-OE1 3.43Å; V594-E613 WeakPolarHBondContact CG2-OE1 3.35Å; V594-E613 PolarHBondContact N-OE1 3.48Å
595	P	85	Confident	84.9	Confident	82 Å²	82	75.8 Å²	75.8	53%	0.532	42%	0.415	S	S	.	.			trans	-59.2	139.1	177.9	-26.1	35	0	0	0	113.2	G597 R598	P595-G597 VanDerWaalsContact C-N 3.27Å; P595-G597 PolarHBondContact O-N 3.25Å; P595-G597 VanDerWaalsContact O-N 3.13Å; P595-R598 VanDerWaalsContact O-CB 3.31Å; P595-R598 WeakPolarHBondContact O-CB 3.43Å; P595-R598 PolarHBondContact O-N 3.33Å
596	K	83.6	Confident	84.5	Confident	150 Å²	150	71.2 Å²	71.2	65%	0.652	39%	0.394	S	S	*	.	H	α-helix	trans	-50	-42.3	-177.2	-68.1	-171.5	175.2	-176.9	0	113.9	R598 Y599 L600	K596-R598 PolarHBondContact O-N 3.2Å; K596-Y599 HydrophobicContact CB-CE1 4.49Å; K596-Y599 HydrophobicContact CG-CE1 4.37Å; K596-Y599 PolarHBondContact O-N 2.93Å; K596-L600 WeakPolarHBondContact O-CB 3.45Å; K596-L600 PolarHBondContact O-N 3.37Å
597	G	82.7	Confident	83.6	Confident	72 Å²	72	80.1 Å²	80.1	74%	0.742	44%	0.436	S	S	*	.	H	α-helix	trans	-62.5	-11.9	179.5	0	0	0	0	0	115.5	P595	P595-G597 VanDerWaalsContact C-N 3.27Å; P595-G597 PolarHBondContact O-N 3.25Å; P595-G597 VanDerWaalsContact O-N 3.13Å
598	R	82.9	Confident	82.8	Confident	87 Å²	87	80.6 Å²	80.6	33%	0.328	44%	0.441	S	S	.	.	H	α-helix	trans	-84.5	-29.5	176.5	-172.7	178.5	-73.8	171.5	0.2	113.1	Q531 F533 V594 P595 K596 Y602	Q531-R598 HydrophobicContact CB-CG 3.91Å; Q531-R598 HydrophobicContact CG-CG 4.48Å; Q531-R598 WeakPolarHBondContact O-CD 3.5Å; F533-R598 HydrophobicContact CD1-CG 4.25Å; F533-R598 VanDerWaalsContact CE1-O 3.29Å; F533-R598 WeakPolarHBondContact CE1-O 3.35Å; V594-R598 HydrophobicContact CG1-CB 3.79Å; V594-R598 HydrophobicContact CG1-CG 4.07Å; P595-R598 VanDerWaalsContact O-CB 3.31Å; P595-R598 WeakPolarHBondContact O-CB 3.43Å; P595-R598 PolarHBondContact O-N 3.33Å; K596-R598 PolarHBondContact O-N 3.2Å; R598-Y602 WeakPolarHBondContact O-CD2 3.44Å
599	Y	84.2	Confident	82.3	Confident	21 Å²	21	81.2 Å²	81.2	8%	0.082	45%	0.447	C	S	.	.	H	α-helix	trans	-119	-25.4	-173.9	68.7	-100.7	0	0	0	114.9	L572 I592 V594 K596 G601 Y602 I603 L611	L572-Y599 VanDerWaalsContact CD1-CB 3.45Å; L572-Y599 HydrophobicContact CD1-CD1 4.06Å; L572-Y599 HydrophobicContact CD1-CG 3.82Å; I592-Y599 HydrophobicContact CG2-CE1 3.96Å; V594-Y599 HydrophobicContact CG1-CD1 3.98Å; K596-Y599 HydrophobicContact CB-CE1 4.49Å; K596-Y599 HydrophobicContact CG-CE1 4.37Å; K596-Y599 PolarHBondContact O-N 2.93Å; Y599-G601 PolarHBondContact O-N 2.81Å; Y599-Y602 PolarHBondContact O-N 2.87Å; Y599-I603 HydrophobicContact CD2-CD1 3.59Å; Y599-I603 HydrophobicContact CD2-CG1 4.16Å; Y599-I603 HydrophobicContact CE2-CD1 4.25Å; Y599-I603 HydrophobicContact CG-CD1 4.35Å; Y599-I603 PolarHBondContact O-N 2.94Å; Y599-L611 HydrophobicContact CD2-CD2 4.43Å; Y599-L611 HydrophobicContact CE2-CD2 3.65Å
600	L	83.1	Confident	82.2	Confident	114 Å²	114	80.3 Å²	80.3	60%	0.597	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	125.2	-178	-168.8	70.7	0	0	0	110.2	K596 Y602	K596-L600 WeakPolarHBondContact O-CB 3.45Å; K596-L600 PolarHBondContact O-N 3.37Å; L600-Y602 VanDerWaalsContact C-N 3.29Å; L600-Y602 PolarHBondContact O-N 2.8Å
601	G	80.1	Confident	82.2	Confident	79 Å²	79	75.7 Å²	75.7	81%	0.814	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-7.9	-175.1	0	0	0	0	0	115.8	Y599	Y599-G601 PolarHBondContact O-N 2.81Å
602	Y	81	Confident	82.5	Confident	103 Å²	103	70.3 Å²	70.3	40%	0.404	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-40	173.7	-71	-77.9	0	0	0	113.1	F528 Q531 R598 Y599 L600	F528-Y602 HydrophobicContact CD1-CD1 4.07Å; F528-Y602 AromaticContact CE1-CD1 3.85Å; F528-Y602 HydrophobicContact CE1-CD1 3.85Å; F528-Y602 HydrophobicContact CE1-CG 4.38Å; F528-Y602 WeakPolarHBondContact CZ-O 3.29Å; Q531-Y602 HydrophobicContact CG-CE2 4.48Å; Q531-Y602 PolarHBondContact NE2-OH 2.97Å; R598-Y602 WeakPolarHBondContact O-CD2 3.44Å; Y599-Y602 PolarHBondContact O-N 2.87Å; L600-Y602 VanDerWaalsContact C-N 3.29Å; L600-Y602 PolarHBondContact O-N 2.8Å
603	I	84.4	Confident	82.7	Confident	12 Å²	12	68.7 Å²	68.7	6%	0.062	38%	0.383	C	S	.	.	S	Bend	trans	-89.1	157.1	173.5	66.9	177.8	0	0	0	110.6	F533 E535 Y574 Y599 L611	F533-I603 HydrophobicContact CE2-CG2 3.63Å; F533-I603 HydrophobicContact CZ-CG2 4.09Å; E535-I603 HydrophobicContact CB-CG2 4.1Å; E535-I603 HydrophobicContact CG-CB 4.4Å; E535-I603 HydrophobicContact CG-CG2 4.01Å; E535-I603 WeakPolarHBondContact OE1-CA 3.49Å; E535-I603 WeakPolarHBondContact OE1-CB 3.4Å; Y574-I603 HydrophobicContact CD2-CD1 4.43Å; Y574-I603 HydrophobicContact CE2-CD1 3.69Å; Y574-I603 HydrophobicContact CE2-CG1 4.11Å; Y599-I603 HydrophobicContact CD2-CD1 3.59Å; Y599-I603 HydrophobicContact CD2-CG1 4.16Å; Y599-I603 HydrophobicContact CE2-CD1 4.25Å; Y599-I603 HydrophobicContact CG-CD1 4.35Å; Y599-I603 PolarHBondContact O-N 2.94Å; I603-L611 HydrophobicContact CD1-CD1 3.71Å; I603-L611 HydrophobicContact CD1-CD2 4.45Å
604	K	80.1	Confident	83.1	Confident	78 Å²	78	62.7 Å²	62.7	34%	0.339	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-94.6	131	174.6	-73.6	-177.5	177.9	177.2	0	112.1	Y498 E535 Y574 Y606	Y498-K604 WeakPolarHBondContact OH-CD 3.37Å; Y498-K604 PolarHBondContact OH-NZ 3.14Å; E535-K604 PolarHBondContact OE1-N 3.28Å; Y574-K604 WeakPolarHBondContact CD2-O 3.29Å; Y574-K604 WeakPolarHBondContact CE2-O 3.44Å; K604-Y606 HydrophobicContact CB-CE2 4.05Å; K604-Y606 WeakPolarHBondContact O-CD2 3.24Å; K604-Y606 VanDerWaalsContact O-CE2 3.22Å; K604-Y606 WeakPolarHBondContact O-CE2 3.43Å
605	D	76.9	Confident	83.4	Confident	111 Å²	111	66.9 Å²	66.9	59%	0.594	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-79.4	138.8	174	-57.1	-27.6	0	0	0	110.5	Y574	Y574-D605 HydrophobicContact CE2-CB 4.5Å; Y574-D605 WeakPolarHBondContact CE2-OD1 3.35Å; Y574-D605 VanDerWaalsContact CZ-OD1 3.25Å; Y574-D605 PolarHBondContact OH-OD1 3.28Å
606	Y	75.8	Confident	83.6	Confident	44 Å²	44	63.3 Å²	63.3	17%	0.173	35%	0.353	C	S	.	.			trans	-124.6	128.6	179.3	-63.7	-92.9	0	0	0	110	M494 Y498 Y574 K604 G608 A609	M494-Y606 HydrophobicContact CE-CD1 3.65Å; M494-Y606 HydrophobicContact CE-CE1 3.78Å; M494-Y606 HydrophobicContact CE-CG 4.43Å; M494-Y606 HydrophobicContact SD-CD1 4.2Å; M494-Y606 HydrophobicContact SD-CE1 3.96Å; Y498-Y606 AromaticContact CE1-CE1 3.91Å; Y498-Y606 HydrophobicContact CE1-CE1 3.91Å; Y498-Y606 PolarHBondContact OH-OH 2.82Å; Y574-Y606 AromaticContact CD2-CD2 3.95Å; Y574-Y606 HydrophobicContact CD2-CD2 3.95Å; Y574-Y606 HydrophobicContact CD2-CE2 4.46Å; Y574-Y606 AromaticContact CG-CD2 3.92Å; Y574-Y606 HydrophobicContact CG-CD2 3.92Å; K604-Y606 HydrophobicContact CB-CE2 4.05Å; K604-Y606 WeakPolarHBondContact O-CD2 3.24Å; K604-Y606 VanDerWaalsContact O-CE2 3.22Å; K604-Y606 WeakPolarHBondContact O-CE2 3.43Å; Y606-G608 PolarHBondContact O-N 3.35Å; Y606-A609 PolarHBondContact O-N 3.18Å
607	E	67.9	Low	83.8	Confident	202 Å²	202	59.4 Å²	59.4	94%	0.944	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	131.5	176.5	-65.3	-174.3	161	0	0	111.1	A609	E607-A609 VanDerWaalsContact C-N 3.29Å; E607-A609 PolarHBondContact O-N 3.22Å
608	G	71.4	Confident	83.9	Confident	59 Å²	59	59.6 Å²	59.6	61%	0.608	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	2.7	-178.2	0	0	0	0	0	115.8	Y606	Y606-G608 PolarHBondContact O-N 3.35Å
609	A	83.1	Confident	83.9	Confident	20 Å²	20	66.3 Å²	66.3	17%	0.165	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-98.8	148.8	174.8	0	0	0	0	0	112.4	Y574 Y606 E607	Y574-A609 HydrophobicContact CD1-CB 3.99Å; Y574-A609 HydrophobicContact CG-CB 4.37Å; Y606-A609 PolarHBondContact O-N 3.18Å; E607-A609 VanDerWaalsContact C-N 3.29Å; E607-A609 PolarHBondContact O-N 3.22Å
610	T	88	Confident	83.8	Confident	38 Å²	38	67.9 Å²	67.9	23%	0.233	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.3	172.3	-61.9	0	0	0	0	110.5	A575 K590 M612	A575-T610 PolarHBondContact N-O 3.05Å; A575-T610 PolarHBondContact O-N 3.26Å; K590-T610 HydrophobicContact CD-CG2 3.83Å; K590-T610 HydrophobicContact CG-CG2 4Å; T610-M612 HydrophobicContact CG2-CG 4.2Å; T610-M612 PolarHBondContact O-N 3.17Å
611	L	90.9	Very high	83.9	Confident	26 Å²	26	65 Å²	65	14%	0.136	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	131	168.3	-175.8	61.6	0	0	0	110.3	Y574 I592 Y599 I603	Y574-L611 HydrophobicContact CD1-CB 4.14Å; Y574-L611 HydrophobicContact CD2-CD1 4.29Å; Y574-L611 HydrophobicContact CE1-CB 3.67Å; Y574-L611 HydrophobicContact CE1-CD1 4.32Å; Y574-L611 HydrophobicContact CE2-CD1 4.05Å; I592-L611 HydrophobicContact CD1-CD2 4.38Å; I592-L611 HydrophobicContact CD1-CG 4.02Å; I592-L611 HydrophobicContact CG1-CD2 4.22Å; I592-L611 HydrophobicContact CG1-CG 4.37Å; Y599-L611 HydrophobicContact CD2-CD2 4.43Å; Y599-L611 HydrophobicContact CE2-CD2 3.65Å; I603-L611 HydrophobicContact CD1-CD1 3.71Å; I603-L611 HydrophobicContact CD1-CD2 4.45Å
612	M	92.8	Very high	84.1	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.3	177.6	-59.7	-170.6	71.2	0	0	111.6	L572 T573 A575 I580 F583 K584 F588 S589 K590 T610	L572-M612 WeakPolarHBondContact CA-O 3.4Å; T573-M612 HydrophobicContact CG2-CB 4.12Å; T573-M612 PolarHBondContact N-O 3.2Å; T573-M612 PolarHBondContact O-N 2.98Å; A575-M612 HydrophobicContact CB-CG 4.31Å; A575-M612 HydrophobicContact CB-SD 3.85Å; I580-M612 HydrophobicContact CB-SD 4.29Å; I580-M612 HydrophobicContact CG1-SD 4.1Å; I580-M612 HydrophobicContact CG2-CE 4.29Å; I580-M612 HydrophobicContact CG2-SD 4.07Å; F583-M612 HydrophobicContact CB-CE 4.28Å; F583-M612 HydrophobicContact CB-SD 4Å; K584-M612 HydrophobicContact CB-CE 4.46Å; F588-M612 HydrophobicContact CB-CB 4.13Å; F588-M612 HydrophobicContact CB-CE 3.87Å; F588-M612 HydrophobicContact CD1-CB 4.17Å; S589-M612 CarbonylContact O-C 3.4Å; S589-M612 WeakPolarHBondContact O-CA 3.49Å; S589-M612 WeakPolarHBondContact O-CB 3.26Å; K590-M612 HydrophobicContact CG-CE 4.37Å; T610-M612 HydrophobicContact CG2-CG 4.2Å; T610-M612 PolarHBondContact O-N 3.17Å
613	E	93.6	Very high	84.2	Confident	5 Å²	5	58.6 Å²	58.6	2%	0.023	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.5	-179	178.1	-174.8	-97.1	0	0	111.6	F571 L572 F588 S589 I592 K593 V594	F571-E613 CarbonylContact O-C 3.54Å; F571-E613 VanDerWaalsContact O-CA 3.28Å; F571-E613 WeakPolarHBondContact O-CA 3.48Å; L572-E613 HydrophobicContact CD2-CB 3.83Å; L572-E613 HydrophobicContact CD2-CG 4.02Å; F588-E613 CarbonylContact C-O 3.52Å; F588-E613 WeakPolarHBondContact CA-O 3.28Å; S589-E613 PolarHBondContact N-O 3.36Å; S589-E613 PolarHBondContact O-N 2.93Å; I592-E613 HydrophobicContact CD1-CB 3.58Å; I592-E613 HydrophobicContact CG2-CB 4.34Å; K593-E613 WeakPolarHBondContact CB-OE2 3.43Å; K593-E613 WeakPolarHBondContact CG-OE2 3.4Å; K593-E613 VanDerWaalsContact N-CD 3.31Å; K593-E613 PolarHBondContact N-OE1 3.1Å; K593-E613 VanDerWaalsContact N-OE1 3.11Å; K593-E613 PolarHBondContact N-OE2 2.98Å; V594-E613 VanDerWaalsContact CB-OE1 3.26Å; V594-E613 WeakPolarHBondContact CB-OE1 3.43Å; V594-E613 WeakPolarHBondContact CG2-OE1 3.35Å; V594-E613 PolarHBondContact N-OE1 3.48Å
614	C	93.4	Very high	84	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.034	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.1	165.3	-169.3	0	0	0	0	110.7	Y570 F571 G587 F588	Y570-C614 WeakPolarHBondContact CA-O 3.22Å; F571-C614 HydrophobicContact CB-CB 4.2Å; F571-C614 PolarHBondContact N-O 3.07Å; F571-C614 PolarHBondContact O-N 3.18Å; G587-C614 PolarHBondContact O-SG 3.47Å; F588-C614 HydrophobicContact CB-CB 4.4Å; F588-C614 HydrophobicContact CD1-CB 3.64Å; F588-C614 HydrophobicContact CD2-CB 3.63Å; F588-C614 HydrophobicContact CE1-CB 3.65Å; F588-C614 HydrophobicContact CE2-CB 3.63Å; F588-C614 HydrophobicContact CG-CB 3.63Å; F588-C614 HydrophobicContact CZ-CB 3.64Å
615	E	91.2	Very high	84.1	Confident	95 Å²	95	61.7 Å²	61.7	44%	0.444	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.2	172.7	-177.7	-178.1	-169.5	0	0	109.4	Y570 K593	Y570-E615 HydrophobicContact CD1-CB 4.46Å; Y570-E615 HydrophobicContact CD1-CG 4.5Å; Y570-E615 HydrophobicContact CE1-CB 4.29Å; Y570-E615 HydrophobicContact CE1-CG 3.94Å; K593-E615 IonicContact NZ-OE2 3.22Å; K593-E615 PolarHBondContact NZ-OE2 3.4Å
616	L	89.3	Confident	84.1	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	30%	0.302	C	S	.	.			trans	-95.7	137.5	-178.3	-53.9	-175.2	0	0	0	111	K560 H563 I564 L569 F571	K560-L616 HydrophobicContact CB-CD1 4.32Å; K560-L616 HydrophobicContact CB-CD2 4.35Å; K560-L616 HydrophobicContact CD-CD2 3.89Å; K560-L616 HydrophobicContact CG-CD1 4.26Å; K560-L616 HydrophobicContact CG-CD2 3.67Å; H563-L616 HydrophobicContact CB-CD1 4.35Å; I564-L616 HydrophobicContact CD1-CB 4.48Å; I564-L616 HydrophobicContact CG1-CB 4.36Å; I564-L616 HydrophobicContact CG1-CD1 4.26Å; L569-L616 HydrophobicContact CD2-CB 4.45Å; L569-L616 PolarHBondContact O-N 3.33Å; F571-L616 HydrophobicContact CD2-CD1 4.41Å; F571-L616 HydrophobicContact CD2-CD2 4.29Å; F571-L616 HydrophobicContact CE1-CD1 4.08Å; F571-L616 HydrophobicContact CE2-CD1 3.93Å; F571-L616 HydrophobicContact CE2-CD2 4.24Å; F571-L616 HydrophobicContact CZ-CD1 3.75Å
617	N	86.4	Confident	84.2	Confident	68 Å²	68	59.7 Å²	59.7	36%	0.364	31%	0.313	S	S	.	.			trans	-98.1	114.9	175.1	-173.6	-23.9	0	0	0	109.8	R619 I620 Y622	N617-R619 PolarHBondContact O-N 3.06Å; N617-R619 VanDerWaalsContact O-N 3.12Å; N617-R619 WeakPolarHBondContact OD1-CB 3.12Å; N617-R619 PolarHBondContact OD1-N 3.28Å; N617-I620 HydrophobicContact CB-CD1 3.94Å; N617-I620 HydrophobicContact CB-CG1 4.12Å; N617-I620 PolarHBondContact O-N 3.2Å; N617-Y622 PolarHBondContact N-OH 3.08Å
618	P	85.1	Confident	84.8	Confident	77 Å²	77	52.4 Å²	52.4	50%	0.5	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.8	-176.5	27.9	-35.4	0	0	0	113.9	I564 L569 I620	I564-P618 HydrophobicContact CG2-CB 4.19Å; L569-P618 HydrophobicContact CD2-CB 4.27Å; L569-P618 HydrophobicContact CD2-CG 4.43Å; P618-I620 VanDerWaalsContact C-N 3.32Å
619	R	82.9	Confident	85.3	Confident	227 Å²	227	53.9 Å²	53.9	86%	0.857	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.1	178.3	-58	-177.1	-178.7	172	0.9	113.8	N617	N617-R619 PolarHBondContact O-N 3.06Å; N617-R619 VanDerWaalsContact O-N 3.12Å; N617-R619 WeakPolarHBondContact OD1-CB 3.12Å; N617-R619 PolarHBondContact OD1-N 3.28Å
620	I	82.8	Confident	84.9	Confident	54 Å²	54	56.1 Å²	56.1	28%	0.277	28%	0.278	S	S	.	.	S	Bend	trans	-115.3	116.4	-172.9	-59.2	-177.3	0	0	0	109.8	N617 P618 Y622 L625	N617-I620 HydrophobicContact CB-CD1 3.94Å; N617-I620 HydrophobicContact CB-CG1 4.12Å; N617-I620 PolarHBondContact O-N 3.2Å; P618-I620 VanDerWaalsContact C-N 3.32Å; I620-Y622 HydrophobicContact CB-CE2 4.17Å; I620-Y622 HydrophobicContact CG2-CD2 4.47Å; I620-Y622 HydrophobicContact CG2-CE2 4.39Å; I620-Y622 WeakPolarHBondContact O-CD2 3.44Å; I620-Y622 WeakPolarHBondContact O-CE2 3.03Å; I620-Y622 PolarHBondContact O-N 2.97Å; I620-Y622 VanDerWaalsContact O-N 3.12Å; I620-L625 HydrophobicContact CG2-CD1 3.83Å
621	P	84	Confident	84.4	Confident	53 Å²	53	58.3 Å²	58.3	34%	0.344	28%	0.282	S	S	.	.			trans	-74.7	101.1	169.4	30.7	-32.3	0	0	0	109	T623 E624 L625 I628	P621-T623 PolarHBondContact O-N 2.69Å; P621-E624 HydrophobicContact CG-CB 4.37Å; P621-E624 PolarHBondContact O-N 2.61Å; P621-L625 PolarHBondContact O-N 3.02Å; P621-I628 HydrophobicContact CG-CD1 3.49Å; P621-I628 VanDerWaalsContact CG-CD1 3.49Å
622	Y	84.4	Confident	83.9	Confident	23 Å²	23	62.2 Å²	62.2	9%	0.09	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.5	-174.1	-75.9	-90.2	0	0	0	113.3	N557 K560 I564 N617 I620 E624 L625	N557-Y622 VanDerWaalsContact CG-O 3.31Å; N557-Y622 PolarHBondContact ND2-O 2.85Å; K560-Y622 HydrophobicContact CB-CD2 4.04Å; K560-Y622 HydrophobicContact CB-CG 4.02Å; K560-Y622 HydrophobicContact CD-CD1 3.52Å; K560-Y622 HydrophobicContact CD-CD2 4.31Å; K560-Y622 HydrophobicContact CD-CE1 3.83Å; K560-Y622 HydrophobicContact CD-CG 3.78Å; I564-Y622 HydrophobicContact CD1-CD2 3.58Å; I564-Y622 HydrophobicContact CD1-CE2 3.55Å; N617-Y622 PolarHBondContact N-OH 3.08Å; I620-Y622 HydrophobicContact CB-CE2 4.17Å; I620-Y622 HydrophobicContact CG2-CD2 4.47Å; I620-Y622 HydrophobicContact CG2-CE2 4.39Å; I620-Y622 WeakPolarHBondContact O-CD2 3.44Å; I620-Y622 WeakPolarHBondContact O-CE2 3.03Å; I620-Y622 PolarHBondContact O-N 2.97Å; I620-Y622 VanDerWaalsContact O-N 3.12Å; Y622-E624 VanDerWaalsContact C-N 3.27Å; Y622-E624 PolarHBondContact O-N 3.45Å; Y622-L625 HydrophobicContact CD1-CD2 4.12Å; Y622-L625 WeakPolarHBondContact O-CB 3.12Å; Y622-L625 PolarHBondContact O-N 3.34Å
623	T	83.3	Confident	83.3	Confident	26 Å²	26	67.9 Å²	67.9	16%	0.16	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.9	172.9	46.5	0	0	0	0	113.7	R451 E561 P621	R451-T623 PolarHBondContact NE-O 2.75Å; R451-T623 PolarHBondContact NH2-O 3.22Å; E561-T623 WeakPolarHBondContact OE2-CB 3.42Å; E561-T623 WeakPolarHBondContact OE2-CG2 3.23Å; E561-T623 PolarHBondContact OE2-OG1 3Å; P621-T623 PolarHBondContact O-N 2.69Å
624	E	81.1	Confident	82.5	Confident	107 Å²	107	70 Å²	70	50%	0.5	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	2.5	176.8	-62.1	-166.3	162.6	0	0	113.7	P621 Y622 S626 H627 I628	P621-E624 HydrophobicContact CG-CB 4.37Å; P621-E624 PolarHBondContact O-N 2.61Å; Y622-E624 VanDerWaalsContact C-N 3.27Å; Y622-E624 PolarHBondContact O-N 3.45Å; E624-S626 VanDerWaalsContact C-N 3.26Å; E624-S626 PolarHBondContact O-N 2.92Å; E624-S626 VanDerWaalsContact O-N 3.09Å; E624-H627 WeakPolarHBondContact O-CA 3.46Å; E624-H627 WeakPolarHBondContact O-CB 3.44Å; E624-H627 PolarHBondContact O-N 3.36Å; E624-I628 HydrophobicContact CB-CD1 4.24Å; E624-I628 HydrophobicContact CB-CG1 4.47Å; E624-I628 PolarHBondContact O-N 3.38Å
625	L	81.3	Confident	81.9	Confident	48 Å²	48	70.7 Å²	70.7	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-49.2	-43.1	-173.2	-178.9	61.2	0	0	0	113.6	I620 P621 Y622 H627 I628 I629	I620-L625 HydrophobicContact CG2-CD1 3.83Å; P621-L625 PolarHBondContact O-N 3.02Å; Y622-L625 HydrophobicContact CD1-CD2 4.12Å; Y622-L625 WeakPolarHBondContact O-CB 3.12Å; Y622-L625 PolarHBondContact O-N 3.34Å; L625-H627 VanDerWaalsContact C-N 3.34Å; L625-H627 PolarHBondContact O-N 2.93Å; L625-I628 PolarHBondContact O-N 3.47Å; L625-I629 HydrophobicContact CD1-CD1 3.73Å; L625-I629 HydrophobicContact CD1-CG1 4.12Å; L625-I629 HydrophobicContact CG-CD1 3.84Å; L625-I629 WeakPolarHBondContact O-CB 3.37Å; L625-I629 VanDerWaalsContact O-CG1 3.29Å; L625-I629 WeakPolarHBondContact O-CG1 3.22Å; L625-I629 PolarHBondContact O-N 3.07Å
626	S	77.1	Confident	81.5	Confident	29 Å²	29	70.9 Å²	70.9	20%	0.203	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-39.9	177.7	-61.8	0	0	0	0	112.8	D447 E624 K630	D447-S626 WeakPolarHBondContact OD2-CB 3.48Å; D447-S626 PolarHBondContact OD2-OG 2.91Å; E624-S626 VanDerWaalsContact C-N 3.26Å; E624-S626 PolarHBondContact O-N 2.92Å; E624-S626 VanDerWaalsContact O-N 3.09Å; S626-K630 PolarHBondContact O-N 2.96Å; S626-K630 VanDerWaalsContact O-N 3.16Å
627	H	77.7	Confident	81.1	Confident	84 Å²	84	76.4 Å²	76.4	39%	0.389	37%	0.365	S	S	.	.	H	α-helix	trans	-73.3	-43.7	178.2	-175.2	85.9	0	0	0	111.3	E624 L625 I629 K630 R631	E624-H627 WeakPolarHBondContact O-CA 3.46Å; E624-H627 WeakPolarHBondContact O-CB 3.44Å; E624-H627 PolarHBondContact O-N 3.36Å; L625-H627 VanDerWaalsContact C-N 3.34Å; L625-H627 PolarHBondContact O-N 2.93Å; H627-I629 PolarHBondContact O-N 3.24Å; H627-K630 WeakPolarHBondContact O-CB 3.49Å; H627-K630 PolarHBondContact O-N 3.27Å; H627-K630 VanDerWaalsContact O-N 3.17Å; H627-R631 PolarHBondContact O-N 2.92Å
628	I	81.6	Confident	80.8	Confident	48 Å²	48	75.9 Å²	75.9	25%	0.246	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-46.8	177.1	-67.7	172.5	0	0	0	111	P621 E624 L625 K630 R631 Q632	P621-I628 HydrophobicContact CG-CD1 3.49Å; P621-I628 VanDerWaalsContact CG-CD1 3.49Å; E624-I628 HydrophobicContact CB-CD1 4.24Å; E624-I628 HydrophobicContact CB-CG1 4.47Å; E624-I628 PolarHBondContact O-N 3.38Å; L625-I628 PolarHBondContact O-N 3.47Å; I628-K630 VanDerWaalsContact C-N 3.33Å; I628-K630 PolarHBondContact O-N 3.23Å; I628-R631 PolarHBondContact O-N 3.48Å; I628-Q632 HydrophobicContact CG2-CG 4.39Å; I628-Q632 WeakPolarHBondContact O-CB 3.29Å; I628-Q632 WeakPolarHBondContact O-CG 3.48Å; I628-Q632 PolarHBondContact O-N 3.31Å
629	I	81.3	Confident	80.6	Confident	90 Å²	90	73.2 Å²	73.2	46%	0.462	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-38.4	177	-68.4	170.6	0	0	0	111.1	L625 H627 K633	L625-I629 HydrophobicContact CD1-CD1 3.73Å; L625-I629 HydrophobicContact CD1-CG1 4.12Å; L625-I629 HydrophobicContact CG-CD1 3.84Å; L625-I629 WeakPolarHBondContact O-CB 3.37Å; L625-I629 VanDerWaalsContact O-CG1 3.29Å; L625-I629 WeakPolarHBondContact O-CG1 3.22Å; L625-I629 PolarHBondContact O-N 3.07Å; H627-I629 PolarHBondContact O-N 3.24Å; I629-K633 VanDerWaalsContact O-CB 3.3Å; I629-K633 WeakPolarHBondContact O-CB 3.39Å; I629-K633 PolarHBondContact O-N 2.72Å
630	K	75.2	Confident	80.4	Confident	67 Å²	67	66.9 Å²	66.9	29%	0.291	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-49	174.5	-174.1	-174.7	173.2	-169.8	0	110.8	M432 S626 H627 I628 K633 E634	M432-K630 PolarHBondContact O-NZ 2.85Å; S626-K630 PolarHBondContact O-N 2.96Å; S626-K630 VanDerWaalsContact O-N 3.16Å; H627-K630 WeakPolarHBondContact O-CB 3.49Å; H627-K630 PolarHBondContact O-N 3.27Å; H627-K630 VanDerWaalsContact O-N 3.17Å; I628-K630 VanDerWaalsContact C-N 3.33Å; I628-K630 PolarHBondContact O-N 3.23Å; K630-K633 PolarHBondContact O-N 2.86Å; K630-E634 PolarHBondContact O-N 3.15Å
631	R	77.6	Confident	80.2	Confident	84 Å²	84	68.5 Å²	68.5	32%	0.317	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-44.9	179	-166.3	175.5	-171.3	176.2	5.7	112	M432 H627 I628 K633 E634 I635	M432-R631 HydrophobicContact CE-CG 4.49Å; H627-R631 PolarHBondContact O-N 2.92Å; I628-R631 PolarHBondContact O-N 3.48Å; R631-K633 PolarHBondContact O-N 3.08Å; R631-E634 PolarHBondContact O-N 3.35Å; R631-I635 HydrophobicContact CG-CD1 4.16Å; R631-I635 VanDerWaalsContact O-CG1 3.31Å; R631-I635 WeakPolarHBondContact O-CG1 3.47Å; R631-I635 PolarHBondContact O-N 3.06Å
632	Q	80.6	Confident	79.8	Confident	109 Å²	109	70.4 Å²	70.4	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-59.4	-45.9	174.4	-74.2	174.6	-15.9	0	0	112.2	I628 E634 I635 I636	I628-Q632 HydrophobicContact CG2-CG 4.39Å; I628-Q632 WeakPolarHBondContact O-CB 3.29Å; I628-Q632 WeakPolarHBondContact O-CG 3.48Å; I628-Q632 PolarHBondContact O-N 3.31Å; Q632-E634 VanDerWaalsContact C-N 3.32Å; Q632-E634 PolarHBondContact O-N 3.26Å; Q632-I635 PolarHBondContact O-N 3.46Å; Q632-I636 VanDerWaalsContact O-CG1 3.31Å; Q632-I636 WeakPolarHBondContact O-CG1 3.5Å; Q632-I636 PolarHBondContact O-N 3.11Å
633	K	79.8	Confident	79.4	Confident	121 Å²	121	75 Å²	75	53%	0.526	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-39	177.3	-175.7	-177.7	176.6	-172.8	0	111.8	L439 I629 K630 R631 K637	L439-K633 PolarHBondContact O-NZ 3.14Å; I629-K633 VanDerWaalsContact O-CB 3.3Å; I629-K633 WeakPolarHBondContact O-CB 3.39Å; I629-K633 PolarHBondContact O-N 2.72Å; K630-K633 PolarHBondContact O-N 2.86Å; R631-K633 PolarHBondContact O-N 3.08Å; K633-K637 WeakPolarHBondContact O-CB 3.45Å; K633-K637 PolarHBondContact O-N 3.42Å
634	E	77.5	Confident	78.7	Confident	48 Å²	48	78.1 Å²	78.1	22%	0.224	36%	0.362	C	S	.	.	H	α-helix	trans	-70.3	-42.4	178	-167.4	175.4	140.8	0	0	112.5	M432 K630 R631 Q632 I636 K637 K638	M432-E634 HydrophobicContact CE-CB 4.49Å; M432-E634 WeakPolarHBondContact CE-OE2 3.3Å; K630-E634 PolarHBondContact O-N 3.15Å; R631-E634 PolarHBondContact O-N 3.35Å; Q632-E634 VanDerWaalsContact C-N 3.32Å; Q632-E634 PolarHBondContact O-N 3.26Å; E634-I636 VanDerWaalsContact C-N 3.33Å; E634-I636 PolarHBondContact O-N 2.93Å; E634-K637 WeakPolarHBondContact O-CB 3.27Å; E634-K637 PolarHBondContact O-N 3.09Å; E634-K637 VanDerWaalsContact O-N 3.11Å; E634-K638 PolarHBondContact O-N 2.92Å; E634-K638 IonicContact OE1-NZ 3.35Å
635	I	80.4	Confident	78	Confident	21 Å²	21	77 Å²	77	11%	0.108	37%	0.367	C	S	.	.	H	α-helix	trans	-56.3	-48.8	172.3	-69.1	163.7	0	0	0	110	V419 V422 I426 R631 Q632 K637 K638 L639	V419-I635 HydrophobicContact CG1-CG2 4.37Å; V422-I635 HydrophobicContact CG1-CG1 4.48Å; V422-I635 HydrophobicContact CG1-CG2 4.27Å; I426-I635 HydrophobicContact CD1-CG1 3.63Å; R631-I635 HydrophobicContact CG-CD1 4.16Å; R631-I635 VanDerWaalsContact O-CG1 3.31Å; R631-I635 WeakPolarHBondContact O-CG1 3.47Å; R631-I635 PolarHBondContact O-N 3.06Å; Q632-I635 PolarHBondContact O-N 3.46Å; I635-K637 VanDerWaalsContact C-N 3.32Å; I635-K637 PolarHBondContact O-N 2.96Å; I635-K638 PolarHBondContact O-N 3.36Å; I635-L639 HydrophobicContact CG2-CD1 3.79Å; I635-L639 HydrophobicContact CG2-CG 4.47Å; I635-L639 WeakPolarHBondContact O-CB 3.3Å; I635-L639 VanDerWaalsContact O-CG 3.25Å; I635-L639 WeakPolarHBondContact O-CG 3.26Å; I635-L639 PolarHBondContact O-N 2.98Å
636	I	83.2	Confident	77.3	Confident	99 Å²	99	81 Å²	81	51%	0.508	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-40.9	176.2	-68.1	166.4	0	0	0	111.2	Q632 E634 L639 I640	Q632-I636 VanDerWaalsContact O-CG1 3.31Å; Q632-I636 WeakPolarHBondContact O-CG1 3.5Å; Q632-I636 PolarHBondContact O-N 3.11Å; E634-I636 VanDerWaalsContact C-N 3.33Å; E634-I636 PolarHBondContact O-N 2.93Å; I636-L639 PolarHBondContact O-N 2.85Å; I636-I640 HydrophobicContact CG2-CD1 3.77Å; I636-I640 HydrophobicContact CG2-CG1 4.41Å; I636-I640 VanDerWaalsContact O-CG1 3.28Å; I636-I640 WeakPolarHBondContact O-CG1 3.4Å; I636-I640 PolarHBondContact O-N 3.09Å
637	K	80.4	Confident	76.6	Confident	122 Å²	122	84.9 Å²	84.9	53%	0.53	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-47.3	177.3	-167.4	-177.4	-177	-98.6	0	111.8	K633 E634 I635 L639 I640 E641	K633-K637 WeakPolarHBondContact O-CB 3.45Å; K633-K637 PolarHBondContact O-N 3.42Å; E634-K637 WeakPolarHBondContact O-CB 3.27Å; E634-K637 PolarHBondContact O-N 3.09Å; E634-K637 VanDerWaalsContact O-N 3.11Å; I635-K637 VanDerWaalsContact C-N 3.32Å; I635-K637 PolarHBondContact O-N 2.96Å; K637-L639 VanDerWaalsContact C-N 3.32Å; K637-L639 PolarHBondContact O-N 2.87Å; K637-I640 PolarHBondContact O-N 3.31Å; K637-E641 VanDerWaalsContact CE-OE1 3.31Å; K637-E641 WeakPolarHBondContact CE-OE1 3.32Å; K637-E641 IonicContact NZ-OE1 3.65Å; K637-E641 PolarHBondContact NZ-OE1 3.46Å; K637-E641 WeakPolarHBondContact O-CG 3.42Å; K637-E641 PolarHBondContact O-N 2.87Å
638	K	79.5	Confident	75.8	Confident	56 Å²	56	89.9 Å²	89.9	24%	0.243	42%	0.417	C	S	.	.	H	α-helix	trans	-63	-36.7	176.4	-69.2	-165.9	-175.2	-171.9	0	112	V422 T425 I426 E634 I635 E641 R642	V422-K638 HydrophobicContact CG1-CB 3.91Å; V422-K638 HydrophobicContact CG1-CD 4.19Å; T425-K638 PolarHBondContact O-NZ 2.87Å; I426-K638 HydrophobicContact CD1-CD 4.09Å; I426-K638 HydrophobicContact CG1-CD 4Å; I426-K638 VanDerWaalsContact CG1-NZ 3.26Å; E634-K638 PolarHBondContact O-N 2.92Å; E634-K638 IonicContact OE1-NZ 3.35Å; I635-K638 PolarHBondContact O-N 3.36Å; K638-E641 PolarHBondContact O-N 3.01Å; K638-R642 WeakPolarHBondContact O-CB 3.2Å; K638-R642 WeakPolarHBondContact O-CG 3.48Å; K638-R642 PolarHBondContact O-N 3.47Å
639	L	79.9	Confident	75	Confident	22 Å²	22	92.9 Å²	92.9	12%	0.115	43%	0.428	C	S	.	.	H	α-helix	trans	-65.9	-41	173.5	-70.7	166.1	0	0	0	112.1	I414 L418 V422 I635 I636 K637 K643	I414-L639 HydrophobicContact CD1-CD1 4.18Å; I414-L639 HydrophobicContact CG2-CD1 4.39Å; I414-L639 HydrophobicContact CG2-CD2 4.09Å; L418-L639 HydrophobicContact CD2-CD2 3.96Å; L418-L639 HydrophobicContact CG-CD2 4.1Å; V422-L639 HydrophobicContact CG2-CD2 4.19Å; I635-L639 HydrophobicContact CG2-CD1 3.79Å; I635-L639 HydrophobicContact CG2-CG 4.47Å; I635-L639 WeakPolarHBondContact O-CB 3.3Å; I635-L639 VanDerWaalsContact O-CG 3.25Å; I635-L639 WeakPolarHBondContact O-CG 3.26Å; I635-L639 PolarHBondContact O-N 2.98Å; I636-L639 PolarHBondContact O-N 2.85Å; K637-L639 VanDerWaalsContact C-N 3.32Å; K637-L639 PolarHBondContact O-N 2.87Å; L639-K643 WeakPolarHBondContact O-CG 3.3Å; L639-K643 PolarHBondContact O-N 2.94Å
640	I	79.8	Confident	74.1	Confident	94 Å²	94	95.2 Å²	95.2	48%	0.482	45%	0.446	S	S	.	.	H	α-helix	trans	-64.5	-44.8	173.4	-69.7	165.9	0	0	0	110.7	I636 K637 R642 K643 Q644	I636-I640 HydrophobicContact CG2-CD1 3.77Å; I636-I640 HydrophobicContact CG2-CG1 4.41Å; I636-I640 VanDerWaalsContact O-CG1 3.28Å; I636-I640 WeakPolarHBondContact O-CG1 3.4Å; I636-I640 PolarHBondContact O-N 3.09Å; K637-I640 PolarHBondContact O-N 3.31Å; I640-R642 PolarHBondContact O-N 3.33Å; I640-K643 CarbonylContact O-C 3.57Å; I640-K643 PolarHBondContact O-N 3.5Å; I640-Q644 VanDerWaalsContact O-CB 3.24Å; I640-Q644 WeakPolarHBondContact O-CB 3.32Å; I640-Q644 PolarHBondContact O-N 3.32Å
641	E	79.3	Confident	73.7	Confident	87 Å²	87	95.7 Å²	95.7	41%	0.407	45%	0.447	S	S	.	.	H	α-helix	trans	-61.6	-44	178.6	-74.1	166.6	-179.3	0	0	111.6	K637 K638 K643 Q644 S645	K637-E641 VanDerWaalsContact CE-OE1 3.31Å; K637-E641 WeakPolarHBondContact CE-OE1 3.32Å; K637-E641 IonicContact NZ-OE1 3.65Å; K637-E641 PolarHBondContact NZ-OE1 3.46Å; K637-E641 WeakPolarHBondContact O-CG 3.42Å; K637-E641 PolarHBondContact O-N 2.87Å; K638-E641 PolarHBondContact O-N 3.01Å; E641-K643 PolarHBondContact O-N 3.39Å; E641-Q644 PolarHBondContact O-N 3.02Å; E641-S645 PolarHBondContact O-N 2.91Å
642	R	75	Confident	73.4	Confident	94 Å²	94	97.4 Å²	97.4	36%	0.355	47%	0.469	S	S	.	.	H	α-helix	trans	-64.5	-33.3	173.4	-75.7	179.5	170.3	-162	-4.1	113.6	E421 K638 I640 S645	E421-R642 IonicContact OE2-CZ 2.86Å; E421-R642 VanDerWaalsContact OE2-CZ 3.24Å; E421-R642 IonicContact OE2-NH1 2.66Å; E421-R642 PolarHBondContact OE2-NH1 3.13Å; E421-R642 IonicContact OE2-NH2 3.67Å; E421-R642 PolarHBondContact OE2-NH2 3.47Å; K638-R642 WeakPolarHBondContact O-CB 3.2Å; K638-R642 WeakPolarHBondContact O-CG 3.48Å; K638-R642 PolarHBondContact O-N 3.47Å; I640-R642 PolarHBondContact O-N 3.33Å; R642-S645 PolarHBondContact O-OG 3.21Å
643	K	74.9	Confident	72.8	Confident	119 Å²	119	95.4 Å²	95.4	52%	0.517	48%	0.477	S	S	.	.	H	α-helix	trans	-72.5	-36.6	170.3	-80.3	-85.1	-174.2	174.1	0	111.6	L639 I640 E641 Q646 I647	L639-K643 WeakPolarHBondContact O-CG 3.3Å; L639-K643 PolarHBondContact O-N 2.94Å; I640-K643 CarbonylContact O-C 3.57Å; I640-K643 PolarHBondContact O-N 3.5Å; E641-K643 PolarHBondContact O-N 3.39Å; K643-Q646 WeakPolarHBondContact O-CB 3.43Å; K643-Q646 PolarHBondContact O-N 3.11Å; K643-I647 WeakPolarHBondContact O-CD1 3.36Å; K643-I647 VanDerWaalsContact O-CG1 3.29Å; K643-I647 WeakPolarHBondContact O-CG1 3.06Å; K643-I647 PolarHBondContact O-N 3.22Å
644	Q	70.3	Confident	72.5	Confident	91 Å²	91	93 Å²	93	43%	0.425	47%	0.47	S	S	.	.	H	α-helix	trans	-75.9	-27.7	-173.9	-165.6	165.2	16.6	0	0	112.6	I640 E641 Q646 I647 R648	I640-Q644 VanDerWaalsContact O-CB 3.24Å; I640-Q644 WeakPolarHBondContact O-CB 3.32Å; I640-Q644 PolarHBondContact O-N 3.32Å; E641-Q644 PolarHBondContact O-N 3.02Å; Q644-Q646 VanDerWaalsContact C-N 3.34Å; Q644-I647 PolarHBondContact O-N 3.32Å; Q644-R648 WeakPolarHBondContact O-CB 3.34Å; Q644-R648 WeakPolarHBondContact O-CG 3.4Å; Q644-R648 PolarHBondContact O-N 2.8Å
645	S	66.6	Low	71.9	Confident	84 Å²	84	95.4 Å²	95.4	59%	0.587	49%	0.488	S	S	*	.	H	α-helix	trans	-63.8	-38.1	167.9	58.8	0	0	0	0	112.2	E641 R642	E641-S645 PolarHBondContact O-N 2.91Å; R642-S645 PolarHBondContact O-OG 3.21Å
646	Q	65.1	Low	71.1	Confident	133 Å²	133	96.1 Å²	96.1	62%	0.621	50%	0.495	S	S	*	.	H	α-helix	trans	-66.4	-39	173.1	-61.1	172.9	-12.5	0	0	111.9	K643 Q644	K643-Q646 WeakPolarHBondContact O-CB 3.43Å; K643-Q646 PolarHBondContact O-N 3.11Å; Q644-Q646 VanDerWaalsContact C-N 3.34Å
647	I	63.3	Low	70.1	Confident	109 Å²	109	96.7 Å²	96.7	56%	0.559	49%	0.493	S	S	*	.	H	α-helix	trans	-76	-24.9	-178	-65.6	162.7	0	0	0	112.8	K643 Q644 K649	K643-I647 WeakPolarHBondContact O-CD1 3.36Å; K643-I647 VanDerWaalsContact O-CG1 3.29Å; K643-I647 WeakPolarHBondContact O-CG1 3.06Å; K643-I647 PolarHBondContact O-N 3.22Å; Q644-I647 PolarHBondContact O-N 3.32Å; I647-K649 PolarHBondContact O-N 3.24Å; I647-K649 VanDerWaalsContact O-N 3.15Å
648	R	60.2	Low	69.3	Low	189 Å²	189	99.8 Å²	99.8	71%	0.713	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	6.7	178.4	-81.8	-175.7	-178	-159.7	3.7	115	Q644 V650	Q644-R648 WeakPolarHBondContact O-CB 3.34Å; Q644-R648 WeakPolarHBondContact O-CG 3.4Å; Q644-R648 PolarHBondContact O-N 2.8Å; R648-V650 PolarHBondContact O-N 3.37Å; R648-V650 VanDerWaalsContact O-N 3.11Å
649	K	65.1	Low	68.2	Low	111 Å²	111	104.8 Å²	104.8	48%	0.483	53%	0.531	S	S	.	.			trans	-58.8	110.5	170.8	-177.2	178.9	169.5	-166.9	0	109.7	I647 Y651 E674	I647-K649 PolarHBondContact O-N 3.24Å; I647-K649 VanDerWaalsContact O-N 3.15Å; K649-Y651 HydrophobicContact CB-CE2 4.45Å; K649-Y651 HydrophobicContact CD-CE1 4.15Å; K649-Y651 HydrophobicContact CG-CE1 4.48Å; K649-Y651 HydrophobicContact CG-CE2 4.5Å; K649-Y651 VanDerWaalsContact O-CD2 3.25Å; K649-Y651 WeakPolarHBondContact O-CD2 3.46Å; K649-Y651 VanDerWaalsContact O-CE2 3.26Å; K649-Y651 WeakPolarHBondContact O-CE2 3.41Å; K649-Y651 PolarHBondContact O-N 2.68Å; K649-E674 IonicContact NZ-OE1 2.72Å; K649-E674 PolarHBondContact NZ-OE1 2.93Å; K649-E674 IonicContact NZ-OE2 3.94Å; K649-E674 PolarHBondContact NZ-OE2 3.41Å
650	V	63.3	Low	67	Low	140 Å²	140	106.6 Å²	106.6	85%	0.848	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-75.6	117.6	177.3	-179.6	0	0	0	0	108.7	R648	R648-V650 PolarHBondContact O-N 3.37Å; R648-V650 VanDerWaalsContact O-N 3.11Å
651	Y	66.6	Low	66	Low	77 Å²	77	105.3 Å²	105.3	30%	0.302	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-85.4	145.6	174.9	-62.7	-88	0	0	0	110.5	K649 P670 E674	K649-Y651 HydrophobicContact CB-CE2 4.45Å; K649-Y651 HydrophobicContact CD-CE1 4.15Å; K649-Y651 HydrophobicContact CG-CE1 4.48Å; K649-Y651 HydrophobicContact CG-CE2 4.5Å; K649-Y651 VanDerWaalsContact O-CD2 3.25Å; K649-Y651 WeakPolarHBondContact O-CD2 3.46Å; K649-Y651 VanDerWaalsContact O-CE2 3.26Å; K649-Y651 WeakPolarHBondContact O-CE2 3.41Å; K649-Y651 PolarHBondContact O-N 2.68Å; Y651-P670 HydrophobicContact CD1-CB 4.43Å; Y651-E674 WeakPolarHBondContact CE1-OE1 3.31Å; Y651-E674 PolarHBondContact OH-OE2 2.89Å; Y651-E674 VanDerWaalsContact OH-OE2 3.08Å
652	P	70	Confident	65	Low	120 Å²	120	112.4 Å²	112.4	78%	0.779	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-62.2	151.4	171.7	27.7	-34.7	0	0	0	111.1
653	G	69.3	Low	64.4	Low	67 Å²	67	116.2 Å²	116.2	69%	0.691	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-62.6	144.1	-179.2	0	0	0	0	0	113.1	T655	G653-T655 PolarHBondContact O-N 3.41Å
654	L	72.4	Confident	64.1	Low	70 Å²	70	112.5 Å²	112.5	37%	0.366	58%	0.581	S	S	.	*			trans	-63.8	112.1	-179.8	-67.3	169.7	0	0	0	111	F657 I669	L654-F657 HydrophobicContact CB-CD2 3.97Å; L654-F657 HydrophobicContact CB-CE2 3.92Å; L654-F657 HydrophobicContact CD1-CE2 3.86Å; L654-I669 HydrophobicContact CD1-CD1 4.42Å; L654-I669 HydrophobicContact CD1-CG1 4.23Å
655	T	66.5	Low	63.9	Low	98 Å²	98	112.2 Å²	112.2	60%	0.601	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-76.6	-29.9	-176.2	47.5	0	0	0	0	113.7	G653 F657 K658	G653-T655 PolarHBondContact O-N 3.41Å; T655-F657 PolarHBondContact O-N 3.41Å; T655-K658 VanDerWaalsContact O-CB 3.28Å; T655-K658 WeakPolarHBondContact O-CB 3.49Å; T655-K658 WeakPolarHBondContact O-CG 3.49Å; T655-K658 PolarHBondContact O-N 2.9Å
656	C	62.4	Low	63.8	Low	37 Å²	37	111.4 Å²	111.4	25%	0.25	58%	0.579	C	S	.	*	G	3₁₀ helix	trans	-54.8	-19.7	-177.6	31.8	0	0	0	0	115.9	K658 I664	C656-K658 VanDerWaalsContact C-N 3.3Å; C656-I664 HydrophobicContact CB-CD1 3.64Å; C656-I664 WeakPolarHBondContact SG-CD1 3.37Å
657	F	62.6	Low	63.9	Low	110 Å²	110	109.5 Å²	109.5	48%	0.482	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-74.7	-17.1	171.5	-65.4	-68.4	0	0	0	113.7	L654 T655 E659 V661 I664	L654-F657 HydrophobicContact CB-CD2 3.97Å; L654-F657 HydrophobicContact CB-CE2 3.92Å; L654-F657 HydrophobicContact CD1-CE2 3.86Å; T655-F657 PolarHBondContact O-N 3.41Å; F657-E659 VanDerWaalsContact C-N 3.3Å; F657-V661 VanDerWaalsContact CD1-O 3.31Å; F657-V661 WeakPolarHBondContact CD1-O 3.43Å; F657-I664 HydrophobicContact CD1-CD1 4.41Å; F657-I664 HydrophobicContact CD2-CD1 4.49Å; F657-I664 HydrophobicContact CE1-CD1 3.96Å; F657-I664 HydrophobicContact CE1-CG1 4.14Å; F657-I664 HydrophobicContact CE2-CD1 4.06Å; F657-I664 HydrophobicContact CZ-CD1 3.77Å; F657-I664 HydrophobicContact CZ-CG1 4.15Å
658	K	62.6	Low	64	Low	187 Å²	187	106.7 Å²	106.7	81%	0.813	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-73.9	-21.2	175.9	-63.3	-175.8	176.4	-175.3	0	113	T655 C656 G660	T655-K658 VanDerWaalsContact O-CB 3.28Å; T655-K658 WeakPolarHBondContact O-CB 3.49Å; T655-K658 WeakPolarHBondContact O-CG 3.49Å; T655-K658 PolarHBondContact O-N 2.9Å; C656-K658 VanDerWaalsContact C-N 3.3Å; K658-G660 VanDerWaalsContact C-N 3.3Å
659	E	56.8	Low	64.6	Low	162 Å²	162	99.9 Å²	99.9	76%	0.757	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-91.7	13.8	-178.7	-65	172.3	-177.5	0	0	112.6	F657 V661	F657-E659 VanDerWaalsContact C-N 3.3Å; E659-V661 VanDerWaalsContact C-N 3.34Å; E659-V661 PolarHBondContact O-N 3.18Å
660	G	55.7	Low	64.6	Low	59 Å²	59	97 Å²	97	61%	0.608	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-1.4	175.9	0	0	0	0	0	115.7	K658 R662	K658-G660 VanDerWaalsContact C-N 3.3Å; G660-R662 PolarHBondContact O-N 2.96Å
661	V	57.5	Low	64.8	Low	68 Å²	68	91 Å²	91	41%	0.412	50%	0.497	S	S	.	.			trans	-69	114.5	176.5	-176.6	0	0	0	0	110.1	F657 E659 Q663 I664	F657-V661 VanDerWaalsContact CD1-O 3.31Å; F657-V661 WeakPolarHBondContact CD1-O 3.43Å; E659-V661 VanDerWaalsContact C-N 3.34Å; E659-V661 PolarHBondContact O-N 3.18Å; V661-Q663 VanDerWaalsContact CG1-O 3.29Å; V661-Q663 WeakPolarHBondContact CG1-O 3.4Å; V661-I664 HydrophobicContact CG1-CG1 4.14Å
662	R	59.8	Low	64.9	Low	236 Å²	236	89.6 Å²	89.6	89%	0.891	49%	0.494	S	S	*	.			trans	-79.6	-22.7	-175.5	-67.5	-174.2	178.7	-173.6	-0	115	G660	G660-R662 PolarHBondContact O-N 2.96Å
663	Q	61.8	Low	64.7	Low	174 Å²	174	91.7 Å²	91.7	81%	0.813	49%	0.486	S	S	*	.			trans	-146.5	144.8	-174.8	-67.4	-174.7	-0.9	0	0	111	V661	V661-Q663 VanDerWaalsContact CG1-O 3.29Å; V661-Q663 WeakPolarHBondContact CG1-O 3.4Å
664	I	68.8	Low	64.4	Low	40 Å²	40	93.8 Å²	93.8	21%	0.205	48%	0.478	C	S	.	.			trans	-137.7	133.4	-174.3	-61.1	-176.3	0	0	0	108.2	C656 F657 V661 V666 S668	C656-I664 HydrophobicContact CB-CD1 3.64Å; C656-I664 WeakPolarHBondContact SG-CD1 3.37Å; F657-I664 HydrophobicContact CD1-CD1 4.41Å; F657-I664 HydrophobicContact CD2-CD1 4.49Å; F657-I664 HydrophobicContact CE1-CD1 3.96Å; F657-I664 HydrophobicContact CE1-CG1 4.14Å; F657-I664 HydrophobicContact CE2-CD1 4.06Å; F657-I664 HydrophobicContact CZ-CD1 3.77Å; F657-I664 HydrophobicContact CZ-CG1 4.15Å; V661-I664 HydrophobicContact CG1-CG1 4.14Å; I664-V666 PolarHBondContact O-N 3.01Å; I664-S668 WeakPolarHBondContact CG2-OG 3.45Å
665	P	65	Low	64	Low	85 Å²	85	94.5 Å²	94.5	55%	0.552	49%	0.485	S	S	*	.			trans	-57.9	132.2	176.2	-22.9	33.3	0	0	0	111.5	E667 S668	P665-E667 VanDerWaalsContact CB-OE2 3.31Å; P665-E667 WeakPolarHBondContact CB-OE2 3.44Å; P665-E667 PolarHBondContact O-N 3.32Å; P665-E667 VanDerWaalsContact O-N 3.17Å; P665-S668 WeakPolarHBondContact O-CB 3.32Å; P665-S668 PolarHBondContact O-N 3.41Å; P665-S668 PolarHBondContact O-OG 3.44Å
666	V	65.8	Low	63.7	Low	67 Å²	67	92.6 Å²	92.6	41%	0.406	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-59.4	-31.2	-175.8	179.7	0	0	0	0	111.2	I664 S668 I669 I672 W677	I664-V666 PolarHBondContact O-N 3.01Å; V666-S668 PolarHBondContact O-N 3.06Å; V666-I669 PolarHBondContact O-N 2.93Å; V666-I672 HydrophobicContact CG1-CD1 3.57Å; V666-I672 HydrophobicContact CG1-CG2 4.26Å; V666-W677 HydrophobicContact CB-CH2 4.45Å; V666-W677 HydrophobicContact CB-CZ3 4.41Å; V666-W677 HydrophobicContact CG1-CH2 4.11Å; V666-W677 HydrophobicContact CG1-CZ3 4.11Å
667	E	66	Low	63.4	Low	94 Å²	94	96.5 Å²	96.5	44%	0.439	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-61.7	-23.7	175.1	-57.7	74.9	-167.2	0	0	113.9	P665 W677	P665-E667 VanDerWaalsContact CB-OE2 3.31Å; P665-E667 WeakPolarHBondContact CB-OE2 3.44Å; P665-E667 PolarHBondContact O-N 3.32Å; P665-E667 VanDerWaalsContact O-N 3.17Å; E667-W677 HydrophobicContact CG-CZ3 4.14Å
668	S	65.5	Low	63.1	Low	50 Å²	50	99.8 Å²	99.8	35%	0.35	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-91.3	-9.2	-176.2	72	0	0	0	0	113.8	I664 P665 V666 P670	I664-S668 WeakPolarHBondContact CG2-OG 3.45Å; P665-S668 WeakPolarHBondContact O-CB 3.32Å; P665-S668 PolarHBondContact O-N 3.41Å; P665-S668 PolarHBondContact O-OG 3.44Å; V666-S668 PolarHBondContact O-N 3.06Å; S668-P670 WeakPolarHBondContact O-CD 3.35Å
669	I	72.3	Confident	62.8	Low	46 Å²	46	94.4 Å²	94.4	24%	0.236	49%	0.493	C	S	.	.	S	Bend	trans	-70.1	120.1	176.4	-63.2	173.7	0	0	0	109	L654 V666 G671 I672 R673	L654-I669 HydrophobicContact CD1-CD1 4.42Å; L654-I669 HydrophobicContact CD1-CG1 4.23Å; V666-I669 PolarHBondContact O-N 2.93Å; I669-G671 PolarHBondContact O-N 3.18Å; I669-I672 HydrophobicContact CB-CB 4.2Å; I669-I672 HydrophobicContact CB-CD1 4.04Å; I669-I672 HydrophobicContact CB-CG1 4.1Å; I669-I672 HydrophobicContact CD1-CD1 3.92Å; I669-I672 HydrophobicContact CG2-CB 4.43Å; I669-I672 HydrophobicContact CG2-CD1 4.11Å; I669-I672 HydrophobicContact CG2-CG1 3.94Å; I669-I672 PolarHBondContact O-N 3.01Å; I669-R673 PolarHBondContact O-N 3.13Å
670	P	66.4	Low	62.1	Low	51 Å²	51	90 Å²	90	33%	0.331	48%	0.48	S	S	.	.	H	α-helix	trans	-53.1	-46.2	-172.2	-30.5	36.5	0	0	0	114.7	Y651 S668 I672 R673 E674	Y651-P670 HydrophobicContact CD1-CB 4.43Å; S668-P670 WeakPolarHBondContact O-CD 3.35Å; P670-I672 VanDerWaalsContact C-N 3.29Å; P670-I672 PolarHBondContact O-N 3.37Å; P670-R673 PolarHBondContact O-N 3.48Å; P670-E674 WeakPolarHBondContact O-CB 3.46Å; P670-E674 WeakPolarHBondContact O-CG 3.48Å; P670-E674 PolarHBondContact O-N 3.26Å
671	G	67	Low	61.7	Low	14 Å²	14	92 Å²	92	14%	0.144	48%	0.484	C	S	.	.	H	α-helix	trans	-68.1	-22.2	178.9	0	0	0	0	0	115.2	I669 T675	I669-G671 PolarHBondContact O-N 3.18Å; G671-T675 VanDerWaalsContact O-CG2 3.32Å; G671-T675 WeakPolarHBondContact O-CG2 3.49Å; G671-T675 PolarHBondContact O-N 3.38Å; G671-T675 PolarHBondContact O-OG1 3.43Å
672	I	69.1	Low	61.1	Low	46 Å²	46	97.3 Å²	97.3	24%	0.236	50%	0.502	C	S	.	.	H	α-helix	trans	-82.4	-37.3	174.9	-62.2	-175.6	0	0	0	110	V666 I669 P670 T675 W677	V666-I672 HydrophobicContact CG1-CD1 3.57Å; V666-I672 HydrophobicContact CG1-CG2 4.26Å; I669-I672 HydrophobicContact CB-CB 4.2Å; I669-I672 HydrophobicContact CB-CD1 4.04Å; I669-I672 HydrophobicContact CB-CG1 4.1Å; I669-I672 HydrophobicContact CD1-CD1 3.92Å; I669-I672 HydrophobicContact CG2-CB 4.43Å; I669-I672 HydrophobicContact CG2-CD1 4.11Å; I669-I672 HydrophobicContact CG2-CG1 3.94Å; I669-I672 PolarHBondContact O-N 3.01Å; P670-I672 VanDerWaalsContact C-N 3.29Å; P670-I672 PolarHBondContact O-N 3.37Å; I672-T675 WeakPolarHBondContact CA-OG1 3.49Å; I672-T675 PolarHBondContact O-N 3.49Å; I672-T675 PolarHBondContact O-OG1 3.21Å; I672-W677 HydrophobicContact CG2-CB 3.58Å; I672-W677 HydrophobicContact CG2-CD2 3.81Å; I672-W677 HydrophobicContact CG2-CE3 3.76Å; I672-W677 HydrophobicContact CG2-CG 3.77Å; I672-W677 WeakPolarHBondContact O-CB 3.26Å; I672-W677 PolarHBondContact O-N 3.13Å
673	R	64.8	Low	60.3	Low	165 Å²	165	93.6 Å²	93.6	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-67.1	-43	173.7	-166.9	169.9	65.9	-151.1	1.5	112.3	I669 P670 T675 G676	I669-R673 PolarHBondContact O-N 3.13Å; P670-R673 PolarHBondContact O-N 3.48Å; R673-T675 VanDerWaalsContact C-N 3.31Å; R673-T675 PolarHBondContact O-N 3.2Å; R673-G676 PolarHBondContact O-N 3.15Å
674	E	64.2	Low	59.3	Low	110 Å²	110	92.3 Å²	92.3	51%	0.514	49%	0.491	S	S	.	.	H	α-helix	trans	-67.3	-26.9	177.2	-76.4	-175.2	-138	0	0	113.4	K649 Y651 P670 G676	K649-E674 IonicContact NZ-OE1 2.72Å; K649-E674 PolarHBondContact NZ-OE1 2.93Å; K649-E674 IonicContact NZ-OE2 3.94Å; K649-E674 PolarHBondContact NZ-OE2 3.41Å; Y651-E674 WeakPolarHBondContact CE1-OE1 3.31Å; Y651-E674 PolarHBondContact OH-OE2 2.89Å; Y651-E674 VanDerWaalsContact OH-OE2 3.08Å; P670-E674 WeakPolarHBondContact O-CB 3.46Å; P670-E674 WeakPolarHBondContact O-CG 3.48Å; P670-E674 PolarHBondContact O-N 3.26Å; E674-G676 PolarHBondContact O-N 3.02Å
675	T	63.7	Low	57.9	Low	86 Å²	86	93.4 Å²	93.4	53%	0.528	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	3.5	175.8	45.5	0	0	0	0	113.8	G671 I672 R673 W677	G671-T675 VanDerWaalsContact O-CG2 3.32Å; G671-T675 WeakPolarHBondContact O-CG2 3.49Å; G671-T675 PolarHBondContact O-N 3.38Å; G671-T675 PolarHBondContact O-OG1 3.43Å; I672-T675 WeakPolarHBondContact CA-OG1 3.49Å; I672-T675 PolarHBondContact O-N 3.49Å; I672-T675 PolarHBondContact O-OG1 3.21Å; R673-T675 VanDerWaalsContact C-N 3.31Å; R673-T675 PolarHBondContact O-N 3.2Å; T675-W677 PolarHBondContact O-N 3.24Å
676	G	60.4	Low	56.8	Low	57 Å²	57	96.7 Å²	96.7	59%	0.588	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	20.3	179.9	0	0	0	0	0	113.4	R673 E674 K678	R673-G676 PolarHBondContact O-N 3.15Å; E674-G676 PolarHBondContact O-N 3.02Å; G676-K678 PolarHBondContact O-N 3.35Å; G676-K678 VanDerWaalsContact O-N 3.09Å
677	W	56.4	Low	55.9	Low	119 Å²	119	98.2 Å²	98.2	45%	0.451	52%	0.521	S	S	.	.			trans	-62.2	114.1	179	-174.9	88.4	0	0	0	109.9	V666 E667 I672 T675 P679	V666-W677 HydrophobicContact CB-CH2 4.45Å; V666-W677 HydrophobicContact CB-CZ3 4.41Å; V666-W677 HydrophobicContact CG1-CH2 4.11Å; V666-W677 HydrophobicContact CG1-CZ3 4.11Å; E667-W677 HydrophobicContact CG-CZ3 4.14Å; I672-W677 HydrophobicContact CG2-CB 3.58Å; I672-W677 HydrophobicContact CG2-CD2 3.81Å; I672-W677 HydrophobicContact CG2-CE3 3.76Å; I672-W677 HydrophobicContact CG2-CG 3.77Å; I672-W677 WeakPolarHBondContact O-CB 3.26Å; I672-W677 PolarHBondContact O-N 3.13Å; T675-W677 PolarHBondContact O-N 3.24Å; W677-P679 HydrophobicContact CH2-CB 3.83Å; W677-P679 HydrophobicContact CZ3-CB 3.98Å
678	K	56.2	Low	55.1	Low	180 Å²	180	97.7 Å²	97.7	78%	0.783	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-96.3	137.7	164.5	-66.4	178.2	-179.6	177.5	0	107.3	G676 S680	G676-K678 PolarHBondContact O-N 3.35Å; G676-K678 VanDerWaalsContact O-N 3.09Å; K678-S680 PolarHBondContact O-N 3.01Å
679	P	55.2	Low	54.5	Low	74 Å²	74	104.7 Å²	104.7	48%	0.481	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-53.8	127	174.3	21.4	-32.1	0	0	0	109.2	W677 S681	W677-P679 HydrophobicContact CH2-CB 3.83Å; W677-P679 HydrophobicContact CZ3-CB 3.98Å; P679-S681 PolarHBondContact O-N 3.32Å; P679-S681 VanDerWaalsContact O-N 3.09Å
680	S	42.7	Very low	54	Low	69 Å²	69	106.6 Å²	106.6	48%	0.483	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-59.4	116.2	-172.7	178.8	0	0	0	0	110	K678 K682 D683	K678-S680 PolarHBondContact O-N 3.01Å; S680-K682 PolarHBondContact O-N 3.49Å; S680-D683 PolarHBondContact O-N 3.38Å
681	S	46.9	Very low	54	Low	100 Å²	100	109 Å²	109	70%	0.699	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-61.6	1.9	176.9	-49.2	0	0	0	0	114.1	P679 K684	P679-S681 PolarHBondContact O-N 3.32Å; P679-S681 VanDerWaalsContact O-N 3.09Å; S681-K684 PolarHBondContact O-N 2.85Å
682	K	44.2	Very low	54.2	Low	180 Å²	180	111.9 Å²	111.9	78%	0.783	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-72.9	-22.3	172.8	-63.5	-172.5	176.3	-178.4	0	113.4	S680 K684 G685	S680-K682 PolarHBondContact O-N 3.49Å; K682-K684 PolarHBondContact O-N 2.98Å; K682-G685 PolarHBondContact O-N 3.05Å; K682-G685 VanDerWaalsContact O-N 3.15Å
683	D	43.4	Very low	54.5	Low	159 Å²	159	113 Å²	113	85%	0.85	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-79	-5.9	169.7	-81.7	-43.7	0	0	0	113.5	S680 G685	S680-D683 PolarHBondContact O-N 3.38Å; D683-G685 PolarHBondContact O-N 2.74Å
684	K	41.1	Very low	55	Low	146 Å²	146	106.5 Å²	106.5	64%	0.635	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-80.3	16.4	160.8	-61.2	-158.1	172.4	-154.8	0	112.9	S681 K682 K686	S681-K684 PolarHBondContact O-N 2.85Å; K682-K684 PolarHBondContact O-N 2.98Å; K684-K686 VanDerWaalsContact C-N 3.27Å; K684-K686 PolarHBondContact O-N 3.35Å
685	G	40	Very low	55.7	Low	63 Å²	63	103.5 Å²	103.5	65%	0.649	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-72.7	-7.9	179.8	0	0	0	0	0	115.8	K682 D683	K682-G685 PolarHBondContact O-N 3.05Å; K682-G685 VanDerWaalsContact O-N 3.15Å; D683-G685 PolarHBondContact O-N 2.74Å
686	K	42.4	Very low	56.5	Low	154 Å²	154	103.1 Å²	103.1	67%	0.67	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-137.4	29.6	174.7	-70	-171.5	-175.9	176.7	0	113.9	K684 E797	K684-K686 VanDerWaalsContact C-N 3.27Å; K684-K686 PolarHBondContact O-N 3.35Å; K686-E797 VanDerWaalsContact CD-OE1 3.29Å; K686-E797 WeakPolarHBondContact CD-OE1 3.38Å; K686-E797 WeakPolarHBondContact CE-OE1 3.42Å; K686-E797 IonicContact NZ-OE1 2.71Å; K686-E797 PolarHBondContact NZ-OE1 3.4Å
687	E	45.6	Very low	57.4	Low	100 Å²	100	103.4 Å²	103.4	47%	0.467	54%	0.538	S	S	.	.	S	Bend	trans	-86.8	125.6	156.6	-69.9	-166	132.2	0	0	108.2	K689	E687-K689 PolarHBondContact O-N 3.34Å
688	V	50.2	Low	58.6	Low	83 Å²	83	97.8 Å²	97.8	50%	0.503	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-57.4	121.6	-176.9	174.7	0	0	0	0	108.5	V693	V688-V693 HydrophobicContact CG1-CB 4.2Å; V688-V693 HydrophobicContact CG1-CG1 3.83Å
689	K	53.3	Low	59.8	Low	197 Å²	197	94.2 Å²	94.2	86%	0.857	50%	0.502	S	S	*	.	S	Bend	trans	-65.6	135.8	171.2	-66.4	178.7	179.5	178	0	108	E687	E687-K689 PolarHBondContact O-N 3.34Å
690	D	61.4	Low	61.2	Low	86 Å²	86	95.4 Å²	95.4	46%	0.46	50%	0.504	S	S	.	.			trans	89	107.8	-177.8	-155.4	-25.3	0	0	0	115.8	D692 V693 L694	D690-D692 PolarHBondContact O-N 3.18Å; D690-D692 PolarHBondContact OD1-N 3Å; D690-V693 HydrophobicContact CB-CB 4.31Å; D690-V693 HydrophobicContact CB-CG2 3.86Å; D690-V693 PolarHBondContact O-N 3.48Å; D690-L694 PolarHBondContact O-N 3.43Å
691	P	65.5	Low	63	Low	101 Å²	101	92.8 Å²	92.8	66%	0.656	48%	0.484	S	S	*	.	H	α-helix	trans	-58	-27.2	175.3	-24.6	35	0	0	0	114.9	Y695	P691-Y695 WeakPolarHBondContact O-CB 3.48Å; P691-Y695 PolarHBondContact O-N 2.82Å
692	D	71.6	Confident	64.8	Low	75 Å²	75	88.3 Å²	88.3	40%	0.401	45%	0.452	S	S	.	.	H	α-helix	trans	-77.1	-29.3	179	-76.8	-46.1	0	0	0	112.3	D690 Y695 N696 R746	D690-D692 PolarHBondContact O-N 3.18Å; D690-D692 PolarHBondContact OD1-N 3Å; D692-Y695 PolarHBondContact O-N 3.46Å; D692-N696 WeakPolarHBondContact O-CB 3.29Å; D692-N696 VanDerWaalsContact O-CG 3.3Å; D692-N696 PolarHBondContact O-N 3.34Å; D692-N696 PolarHBondContact O-ND2 3.32Å; D692-R746 IonicContact OD1-CZ 2.72Å; D692-R746 IonicContact OD1-NH1 2.63Å; D692-R746 PolarHBondContact OD1-NH1 3.3Å; D692-R746 IonicContact OD1-NH2 3.48Å; D692-R746 PolarHBondContact OD1-NH2 3.02Å
693	V	74.9	Confident	66.6	Low	68 Å²	68	82.2 Å²	82.2	41%	0.412	44%	0.436	S	S	.	.	H	α-helix	trans	-67.5	-43.2	171.2	178.2	0	0	0	0	110.5	V688 D690 N696 M697	V688-V693 HydrophobicContact CG1-CB 4.2Å; V688-V693 HydrophobicContact CG1-CG1 3.83Å; D690-V693 HydrophobicContact CB-CB 4.31Å; D690-V693 HydrophobicContact CB-CG2 3.86Å; D690-V693 PolarHBondContact O-N 3.48Å; V693-N696 PolarHBondContact O-N 2.9Å; V693-M697 WeakPolarHBondContact O-CB 3.37Å; V693-M697 PolarHBondContact O-N 2.89Å
694	L	75.8	Confident	68.4	Low	29 Å²	29	78.3 Å²	78.3	15%	0.152	41%	0.412	C	S	.	.	H	α-helix	trans	-61.7	-45.5	174.3	179.6	63.2	0	0	0	111.5	D690 M697 L698	D690-L694 PolarHBondContact O-N 3.43Å; L694-M697 PolarHBondContact O-N 3.43Å; L694-L698 HydrophobicContact CD1-CD1 4.13Å; L694-L698 HydrophobicContact CD1-CG 4.11Å; L694-L698 HydrophobicContact CG-CD1 4.11Å; L694-L698 HydrophobicContact CG-CG 4.43Å; L694-L698 WeakPolarHBondContact O-CG 3.49Å; L694-L698 PolarHBondContact O-N 3.38Å
695	Y	79.4	Confident	70.4	Confident	48 Å²	48	71.5 Å²	71.5	19%	0.188	38%	0.383	C	S	.	.	H	α-helix	trans	-60.1	-46.9	177.6	174.3	-97.1	0	0	0	112.3	P691 D692 M697 L698 K699 L743 R746	P691-Y695 WeakPolarHBondContact O-CB 3.48Å; P691-Y695 PolarHBondContact O-N 2.82Å; D692-Y695 PolarHBondContact O-N 3.46Å; Y695-M697 PolarHBondContact O-N 3.05Å; Y695-L698 PolarHBondContact O-N 3.07Å; Y695-K699 HydrophobicContact CE1-CD 4.29Å; Y695-K699 VanDerWaalsContact O-CB 3.24Å; Y695-K699 WeakPolarHBondContact O-CB 3.45Å; Y695-K699 PolarHBondContact O-N 2.99Å; Y695-L743 HydrophobicContact CD2-CD1 3.92Å; Y695-L743 HydrophobicContact CD2-CG 4.21Å; Y695-L743 HydrophobicContact CE2-CD1 4.23Å; Y695-L743 HydrophobicContact CE2-CG 3.99Å; Y695-L743 VanDerWaalsContact CE2-O 3.29Å; Y695-L743 WeakPolarHBondContact CE2-O 3.47Å; Y695-R746 VanDerWaalsContact CB-NH1 3.31Å
696	N	80	Confident	72.3	Confident	78 Å²	78	71.9 Å²	71.9	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-65.1	-38.1	178.1	-74.3	-39.4	0	0	0	112.3	D692 V693 K699 N700	D692-N696 WeakPolarHBondContact O-CB 3.29Å; D692-N696 VanDerWaalsContact O-CG 3.3Å; D692-N696 PolarHBondContact O-N 3.34Å; D692-N696 PolarHBondContact O-ND2 3.32Å; V693-N696 PolarHBondContact O-N 2.9Å; N696-K699 PolarHBondContact O-N 3.09Å; N696-N700 WeakPolarHBondContact O-CB 3.4Å; N696-N700 VanDerWaalsContact O-CG 3.24Å; N696-N700 PolarHBondContact O-N 3.08Å
697	M	79.4	Confident	74.2	Confident	62 Å²	62	70 Å²	70	31%	0.305	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-49.5	173.9	-177.3	-176	-70.6	0	0	111.9	V693 L694 Y695 K699 N700 L701 L795	V693-M697 WeakPolarHBondContact O-CB 3.37Å; V693-M697 PolarHBondContact O-N 2.89Å; L694-M697 PolarHBondContact O-N 3.43Å; Y695-M697 PolarHBondContact O-N 3.05Å; M697-K699 VanDerWaalsContact C-N 3.33Å; M697-K699 PolarHBondContact O-N 2.91Å; M697-N700 PolarHBondContact O-N 2.89Å; M697-L701 WeakPolarHBondContact O-CB 3.39Å; M697-L701 PolarHBondContact O-N 3.36Å; M697-L795 HydrophobicContact SD-CD1 4.05Å; M697-L795 HydrophobicContact SD-CD2 4.23Å; M697-L795 HydrophobicContact SD-CG 4.23Å
698	L	80.6	Confident	75.9	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-65.3	-35.7	178.1	-67.4	-179.9	0	0	0	112.2	L694 Y695 L701 L702 L743 F754	L694-L698 HydrophobicContact CD1-CD1 4.13Å; L694-L698 HydrophobicContact CD1-CG 4.11Å; L694-L698 HydrophobicContact CG-CD1 4.11Å; L694-L698 HydrophobicContact CG-CG 4.43Å; L694-L698 WeakPolarHBondContact O-CG 3.49Å; L694-L698 PolarHBondContact O-N 3.38Å; Y695-L698 PolarHBondContact O-N 3.07Å; L698-L701 PolarHBondContact O-N 2.93Å; L698-L702 VanDerWaalsContact O-CB 3.31Å; L698-L702 WeakPolarHBondContact O-CB 3.45Å; L698-L702 PolarHBondContact O-N 2.82Å; L698-L743 HydrophobicContact CB-CD1 3.77Å; L698-L743 HydrophobicContact CB-CD2 4.48Å; L698-L743 HydrophobicContact CD1-CD1 4.23Å; L698-F754 HydrophobicContact CD1-CB 4.31Å; L698-F754 HydrophobicContact CD1-CD2 4.42Å; L698-F754 HydrophobicContact CD1-CG 4.41Å; L698-F754 HydrophobicContact CD2-CB 4.12Å; L698-F754 HydrophobicContact CD2-CD1 3.72Å; L698-F754 HydrophobicContact CD2-CD2 4.2Å; L698-F754 HydrophobicContact CD2-CE1 4.11Å; L698-F754 HydrophobicContact CD2-CG 3.75Å
699	K	82.9	Confident	77.2	Confident	106 Å²	106	67.3 Å²	67.3	46%	0.461	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-46	174.6	-176.6	-176.3	175.9	-170	0	111.9	Y695 N696 M697 A703 L743	Y695-K699 HydrophobicContact CE1-CD 4.29Å; Y695-K699 VanDerWaalsContact O-CB 3.24Å; Y695-K699 WeakPolarHBondContact O-CB 3.45Å; Y695-K699 PolarHBondContact O-N 2.99Å; N696-K699 PolarHBondContact O-N 3.09Å; M697-K699 VanDerWaalsContact C-N 3.33Å; M697-K699 PolarHBondContact O-N 2.91Å; K699-A703 WeakPolarHBondContact O-CB 3.34Å; K699-A703 PolarHBondContact O-N 3.23Å; K699-L743 HydrophobicContact CB-CD2 4.04Å
700	N	83.3	Confident	78.5	Confident	99 Å²	99	60.1 Å²	60.1	53%	0.529	33%	0.33	S	S	.	.	H	α-helix	trans	-65.9	-38.4	177.3	-71.2	-10.9	0	0	0	112	N696 M697 Q704	N696-N700 WeakPolarHBondContact O-CB 3.4Å; N696-N700 VanDerWaalsContact O-CG 3.24Å; N696-N700 PolarHBondContact O-N 3.08Å; M697-N700 PolarHBondContact O-N 2.89Å; N700-Q704 WeakPolarHBondContact O-CG 3.43Å; N700-Q704 PolarHBondContact O-N 2.83Å; N700-Q704 VanDerWaalsContact O-N 3.12Å
701	L	82.4	Confident	79.4	Confident	14 Å²	14	56 Å²	56	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-68.4	-45.2	177.6	-163.3	166.3	0	0	0	111.1	M697 L698 A703 Q704 I705 F754 L790 L795	M697-L701 WeakPolarHBondContact O-CB 3.39Å; M697-L701 PolarHBondContact O-N 3.36Å; L698-L701 PolarHBondContact O-N 2.93Å; L701-A703 VanDerWaalsContact C-N 3.32Å; L701-A703 PolarHBondContact O-N 3.38Å; L701-Q704 PolarHBondContact O-N 3.25Å; L701-I705 HydrophobicContact CD2-CD1 3.43Å; L701-I705 VanDerWaalsContact CD2-CD1 3.43Å; L701-I705 HydrophobicContact CD2-CG1 4.01Å; L701-I705 PolarHBondContact O-N 2.82Å; L701-F754 HydrophobicContact CD2-CE1 3.88Å; L701-F754 HydrophobicContact CD2-CZ 4.25Å; L701-L790 HydrophobicContact CD1-CD2 3.99Å; L701-L795 HydrophobicContact CD1-CD1 4.12Å
702	L	83.1	Confident	80	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-36.9	176.1	-172.9	62.6	0	0	0	112.3	L698 I705 K706 L736 M739 L743 F754	L698-L702 VanDerWaalsContact O-CB 3.31Å; L698-L702 WeakPolarHBondContact O-CB 3.45Å; L698-L702 PolarHBondContact O-N 2.82Å; L702-I705 PolarHBondContact O-N 3.47Å; L702-K706 WeakPolarHBondContact O-CG 3.49Å; L702-K706 PolarHBondContact O-N 3.13Å; L702-L736 HydrophobicContact CD1-CD2 4.02Å; L702-M739 HydrophobicContact CD1-CB 4.34Å; L702-L743 HydrophobicContact CD2-CD2 3.97Å; L702-F754 HydrophobicContact CB-CE2 4.34Å; L702-F754 HydrophobicContact CB-CZ 4.15Å; L702-F754 HydrophobicContact CD1-CE2 4.4Å; L702-F754 HydrophobicContact CD1-CZ 4.32Å
703	A	83.5	Confident	80.4	Confident	52 Å²	52	55.8 Å²	55.8	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-44.2	173.1	0	0	0	0	0	112.1	K699 L701 I705 K706 T707	K699-A703 WeakPolarHBondContact O-CB 3.34Å; K699-A703 PolarHBondContact O-N 3.23Å; L701-A703 VanDerWaalsContact C-N 3.32Å; L701-A703 PolarHBondContact O-N 3.38Å; A703-I705 PolarHBondContact O-N 3.43Å; A703-K706 PolarHBondContact O-N 3.16Å; A703-T707 PolarHBondContact O-N 2.97Å; A703-T707 VanDerWaalsContact O-N 3.12Å; A703-T707 PolarHBondContact O-OG1 3.09Å
704	Q	80.7	Confident	80.7	Confident	78 Å²	78	53.4 Å²	53.4	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-35.7	177.3	-73.3	176.4	50.3	0	0	113.1	N700 L701 T707 K789	N700-Q704 WeakPolarHBondContact O-CG 3.43Å; N700-Q704 PolarHBondContact O-N 2.83Å; N700-Q704 VanDerWaalsContact O-N 3.12Å; L701-Q704 PolarHBondContact O-N 3.25Å; Q704-T707 WeakPolarHBondContact CA-OG1 3.21Å; Q704-T707 PolarHBondContact O-N 3.45Å; Q704-T707 PolarHBondContact O-OG1 3.23Å; Q704-K789 VanDerWaalsContact OE1-CE 3.27Å
705	I	82	Confident	80.8	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-43	172.5	-70.6	175.4	0	0	0	110.4	L701 L702 A703 T707 H708 A711 L736 L758 L782 F786	L701-I705 HydrophobicContact CD2-CD1 3.43Å; L701-I705 VanDerWaalsContact CD2-CD1 3.43Å; L701-I705 HydrophobicContact CD2-CG1 4.01Å; L701-I705 PolarHBondContact O-N 2.82Å; L702-I705 PolarHBondContact O-N 3.47Å; A703-I705 PolarHBondContact O-N 3.43Å; I705-T707 VanDerWaalsContact C-N 3.26Å; I705-T707 PolarHBondContact O-N 2.96Å; I705-H708 WeakPolarHBondContact O-CB 3.39Å; I705-H708 PolarHBondContact O-N 2.85Å; I705-A711 VanDerWaalsContact O-CB 3.31Å; I705-A711 WeakPolarHBondContact O-CB 3.32Å; I705-L736 HydrophobicContact CG2-CD1 4.02Å; I705-L736 HydrophobicContact CG2-CD2 3.81Å; I705-L758 HydrophobicContact CD1-CD1 3.58Å; I705-L758 HydrophobicContact CD1-CD2 3.97Å; I705-L758 HydrophobicContact CD1-CG 4.48Å; I705-L782 HydrophobicContact CG2-CD1 4.28Å; I705-F786 HydrophobicContact CD1-CD2 4.24Å
706	K	81.4	Confident	80.8	Confident	70 Å²	70	57.1 Å²	57.1	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-67	-21.5	178.1	-75.1	-173.3	170.8	-162.4	0	114.7	L702 A703 M715 L736 T740	L702-K706 WeakPolarHBondContact O-CG 3.49Å; L702-K706 PolarHBondContact O-N 3.13Å; A703-K706 PolarHBondContact O-N 3.16Å; K706-M715 HydrophobicContact CB-CE 4.42Å; K706-M715 HydrophobicContact CB-SD 4.4Å; K706-M715 HydrophobicContact CG-SD 4.13Å; K706-M715 WeakPolarHBondContact O-CE 3.39Å; K706-L736 VanDerWaalsContact CE-O 3.3Å; K706-L736 WeakPolarHBondContact CE-O 3.27Å; K706-L736 HydrophobicContact CG-CB 4.44Å; K706-L736 HydrophobicContact CG-CD1 4.29Å; K706-L736 PolarHBondContact NZ-O 3.27Å; K706-T740 VanDerWaalsContact CE-OG1 3.32Å; K706-T740 WeakPolarHBondContact CE-OG1 3.25Å; K706-T740 PolarHBondContact NZ-OG1 3.34Å
707	T	81.7	Confident	80.8	Confident	114 Å²	114	56 Å²	56	70%	0.699	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.7	174.9	49.1	0	0	0	0	114	A703 Q704 I705	A703-T707 PolarHBondContact O-N 2.97Å; A703-T707 VanDerWaalsContact O-N 3.12Å; A703-T707 PolarHBondContact O-OG1 3.09Å; Q704-T707 WeakPolarHBondContact CA-OG1 3.21Å; Q704-T707 PolarHBondContact O-N 3.45Å; Q704-T707 PolarHBondContact O-OG1 3.23Å; I705-T707 VanDerWaalsContact C-N 3.26Å; I705-T707 PolarHBondContact O-N 2.96Å
708	H	81	Confident	80.7	Confident	28 Å²	28	55 Å²	55	13%	0.13	29%	0.289	C	S	.	.	S	Bend	trans	-75.3	134.9	179.5	-166.4	-85.6	0	0	0	110.8	I705 D710 A711 L782 F785	I705-H708 WeakPolarHBondContact O-CB 3.39Å; I705-H708 PolarHBondContact O-N 2.85Å; H708-D710 VanDerWaalsContact C-N 3.32Å; H708-D710 IonicContact CE1-OD2 2.71Å; H708-D710 PolarHBondContact CE1-OD2 2.66Å; H708-D710 VanDerWaalsContact CE1-OD2 3.28Å; H708-D710 PolarHBondContact ND1-N 2.78Å; H708-D710 IonicContact ND1-OD2 2.72Å; H708-D710 PolarHBondContact O-N 3.22Å; H708-A711 HydrophobicContact CB-CB 4.17Å; H708-A711 VanDerWaalsContact O-CB 3.31Å; H708-A711 WeakPolarHBondContact O-CB 3.43Å; H708-A711 PolarHBondContact O-N 2.98Å; H708-L782 HydrophobicContact CB-CD1 3.96Å; H708-F785 HydrophobicContact CB-CE1 4.49Å; H708-F785 AromaticContact CD2-CD1 3.69Å; H708-F785 AromaticContact CD2-CD2 3.72Å; H708-F785 AromaticContact CD2-CE1 3.98Å; H708-F785 AromaticContact CD2-CG 3.55Å; H708-F785 AromaticContact NE2-CG 3.91Å
709	P	77.1	Confident	80.4	Confident	100 Å²	100	60 Å²	60	65%	0.649	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-57.1	-43.3	-177	21	-32.8	0	0	0	112.5	A711	P709-A711 PolarHBondContact O-N 2.76Å
710	D	80.4	Confident	79.8	Confident	46 Å²	46	61.8 Å²	61.8	25%	0.246	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-77.1	5.9	179.4	-54.9	-44.3	0	0	0	114.9	H708 W712 P713 C778 T781	H708-D710 VanDerWaalsContact C-N 3.32Å; H708-D710 IonicContact CE1-OD2 2.71Å; H708-D710 PolarHBondContact CE1-OD2 2.66Å; H708-D710 VanDerWaalsContact CE1-OD2 3.28Å; H708-D710 PolarHBondContact ND1-N 2.78Å; H708-D710 IonicContact ND1-OD2 2.72Å; H708-D710 PolarHBondContact O-N 3.22Å; D710-W712 VanDerWaalsContact C-N 3.34Å; D710-P713 WeakPolarHBondContact O-CD 3.21Å; D710-C778 HydrophobicContact CB-CB 3.94Å; D710-T781 WeakPolarHBondContact OD2-CB 3.36Å; D710-T781 VanDerWaalsContact OD2-CG2 3.23Å; D710-T781 WeakPolarHBondContact OD2-CG2 3.39Å
711	A	80.9	Confident	79	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-83.8	-8.5	178.9	0	0	0	0	0	113.6	I705 H708 P709 F714 M715 L736 L782	I705-A711 VanDerWaalsContact O-CB 3.31Å; I705-A711 WeakPolarHBondContact O-CB 3.32Å; H708-A711 HydrophobicContact CB-CB 4.17Å; H708-A711 VanDerWaalsContact O-CB 3.31Å; H708-A711 WeakPolarHBondContact O-CB 3.43Å; H708-A711 PolarHBondContact O-N 2.98Å; P709-A711 PolarHBondContact O-N 2.76Å; A711-F714 PolarHBondContact O-N 2.89Å; A711-M715 HydrophobicContact CB-CE 3.53Å; A711-L736 HydrophobicContact CB-CD1 4.26Å; A711-L782 HydrophobicContact CB-CD1 4.09Å; A711-L782 HydrophobicContact CB-CD2 4.4Å
712	W	78.4	Confident	78.1	Confident	145 Å²	145	67.3 Å²	67.3	55%	0.549	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-52.5	-37.9	-175.7	73.5	-95	0	0	0	115.3	D710 F714 Y775	D710-W712 VanDerWaalsContact C-N 3.34Å; W712-F714 PolarHBondContact O-N 3.43Å; W712-Y775 HydrophobicContact CH2-CD1 4.49Å; W712-Y775 AromaticContact CH2-CE1 3.62Å; W712-Y775 HydrophobicContact CH2-CE1 3.62Å; W712-Y775 HydrophobicContact CZ2-CE1 4.28Å; W712-Y775 HydrophobicContact CZ3-CE1 4.14Å
713	P	79.6	Confident	77.4	Confident	26 Å²	26	67.4 Å²	67.4	17%	0.169	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-71.5	-14.5	-179.6	-15.5	31.3	0	0	0	113.9	D710 Y775 C778	D710-P713 WeakPolarHBondContact O-CD 3.21Å; P713-Y775 HydrophobicContact CB-CD1 3.75Å; P713-Y775 HydrophobicContact CB-CE1 4.09Å; P713-Y775 HydrophobicContact CG-CD1 3.93Å; P713-Y775 HydrophobicContact CG-CE1 4.33Å; P713-C778 HydrophobicContact CG-CB 4.31Å
714	F	81.9	Confident	76.7	Confident	17 Å²	17	69.8 Å²	69.8	8%	0.075	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-110.4	5.3	-172.3	-47	-64.9	0	0	0	112.6	A711 W712 L736 I761 C765 C778 A779 L782	A711-F714 PolarHBondContact O-N 2.89Å; W712-F714 PolarHBondContact O-N 3.43Å; F714-L736 HydrophobicContact CB-CD1 4.11Å; F714-L736 HydrophobicContact CB-CG 4.21Å; F714-L736 VanDerWaalsContact O-CB 3.29Å; F714-L736 WeakPolarHBondContact O-CB 3.44Å; F714-L736 VanDerWaalsContact O-CG 3.27Å; F714-L736 WeakPolarHBondContact O-CG 3.29Å; F714-L736 PolarHBondContact O-N 3.3Å; F714-I761 HydrophobicContact CB-CG2 3.9Å; F714-I761 HydrophobicContact CD1-CG2 3.41Å; F714-I761 VanDerWaalsContact CD1-CG2 3.41Å; F714-I761 HydrophobicContact CE1-CG2 4.11Å; F714-I761 HydrophobicContact CG-CG2 3.69Å; F714-C765 HydrophobicContact CE1-CB 3.86Å; F714-C765 HydrophobicContact CZ-CB 4.32Å; F714-C778 HydrophobicContact CE2-CB 4.35Å; F714-A779 HydrophobicContact CE2-CB 4.48Å; F714-A779 HydrophobicContact CZ-CB 3.88Å; F714-L782 HydrophobicContact CD2-CD2 3.63Å; F714-L782 HydrophobicContact CE2-CD2 4.05Å
715	M	77	Confident	76.5	Confident	56 Å²	56	69.4 Å²	69.4	28%	0.276	37%	0.365	S	S	.	.	S	Bend	trans	-69.8	-36.3	-176.1	-68.8	-59.5	179.5	0	0	113.6	K706 A711 L736 K737	K706-M715 HydrophobicContact CB-CE 4.42Å; K706-M715 HydrophobicContact CB-SD 4.4Å; K706-M715 HydrophobicContact CG-SD 4.13Å; K706-M715 WeakPolarHBondContact O-CE 3.39Å; A711-M715 HydrophobicContact CB-CE 3.53Å; M715-L736 HydrophobicContact SD-CD1 4.02Å; M715-K737 WeakPolarHBondContact O-CB 3.28Å; M715-K737 PolarHBondContact O-N 3.15Å
716	E	80.1	Confident	76.2	Confident	100 Å²	100	70.2 Å²	70.2	47%	0.467	37%	0.368	S	S	.	.	S	Bend	trans	-129.6	160.2	-176.1	-62.8	-144.4	114.1	0	0	111.1	K737	E716-K737 IonicContact OE1-NZ 3.43Å; E716-K737 PolarHBondContact OE1-NZ 3.34Å
717	P	78.4	Confident	75.9	Confident	55 Å²	55	71 Å²	71	36%	0.357	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-59.7	135.8	170.7	-19.2	29.8	0	0	0	111.7	K719	P717-K719 PolarHBondContact O-N 2.79Å
718	V	79.3	Confident	75.4	Confident	41 Å²	41	73.6 Å²	73.6	25%	0.248	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-58.1	125.1	177.1	-179.2	0	0	0	0	110.3	A723 Y726 Y727	V718-A723 HydrophobicContact CG1-CB 3.76Å; V718-Y726 HydrophobicContact CB-CD1 3.84Å; V718-Y726 HydrophobicContact CB-CE1 3.83Å; V718-Y726 HydrophobicContact CB-CG 4.3Å; V718-Y726 HydrophobicContact CG1-CD1 4.04Å; V718-Y726 HydrophobicContact CG1-CD2 4.35Å; V718-Y726 HydrophobicContact CG1-CE1 4.41Å; V718-Y726 HydrophobicContact CG1-CG 4Å; V718-Y726 HydrophobicContact CG2-CD1 4.25Å; V718-Y726 HydrophobicContact CG2-CE1 3.78Å; V718-Y726 HydrophobicContact CG2-CE2 4.24Å; V718-Y727 WeakPolarHBondContact O-CE2 3.26Å; V718-Y727 PolarHBondContact O-OH 2.84Å
719	K	74.2	Confident	75.2	Confident	104 Å²	104	75.2 Å²	75.2	45%	0.452	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-79.9	137.7	-177.7	-55.7	-170.9	-157.5	106.8	0	110.9	P717 S721 E722 A723	P717-K719 PolarHBondContact O-N 2.79Å; K719-S721 WeakPolarHBondContact CB-OG 3.31Å; K719-S721 PolarHBondContact O-N 3.33Å; K719-E722 HydrophobicContact CB-CG 4.33Å; K719-E722 WeakPolarHBondContact CD-OE1 3.35Å; K719-E722 IonicContact NZ-OE1 3.52Å; K719-E722 PolarHBondContact NZ-OE1 3.42Å; K719-E722 PolarHBondContact O-N 2.96Å; K719-A723 PolarHBondContact O-N 2.75Å; K719-A723 VanDerWaalsContact O-N 3.08Å
720	K	68.6	Low	75.3	Confident	145 Å²	145	70.6 Å²	70.6	63%	0.63	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.6	173.6	-67	-169.1	174.7	-165.7	0	114.2	P724 Y727	K720-P724 WeakPolarHBondContact O-CA 3.31Å; K720-Y727 HydrophobicContact CD-CD2 4.37Å; K720-Y727 HydrophobicContact CG-CD2 3.73Å; K720-Y727 HydrophobicContact CG-CE2 3.69Å
721	S	66.5	Low	75	Confident	102 Å²	102	78.9 Å²	78.9	71%	0.713	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-23.8	173.8	53.7	0	0	0	0	113.9	K719	K719-S721 WeakPolarHBondContact CB-OG 3.31Å; K719-S721 PolarHBondContact O-N 3.33Å
722	E	64.6	Low	74.8	Confident	126 Å²	126	85.8 Å²	85.8	59%	0.589	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-31.2	-178.8	-67	160.1	-160.5	0	0	110.7	K719	K719-E722 HydrophobicContact CB-CG 4.33Å; K719-E722 WeakPolarHBondContact CD-OE1 3.35Å; K719-E722 IonicContact NZ-OE1 3.52Å; K719-E722 PolarHBondContact NZ-OE1 3.42Å; K719-E722 PolarHBondContact O-N 2.96Å
723	A	67.4	Low	74.8	Confident	8 Å²	8	81.5 Å²	81.5	7%	0.066	41%	0.405	C	S	.	.			trans	-143.7	92.5	178.5	0	0	0	0	0	110.4	V718 K719 D725 Y726 Y768	V718-A723 HydrophobicContact CG1-CB 3.76Å; K719-A723 PolarHBondContact O-N 2.75Å; K719-A723 VanDerWaalsContact O-N 3.08Å; A723-D725 PolarHBondContact O-N 3.38Å; A723-Y726 HydrophobicContact CB-CG 4.48Å; A723-Y768 HydrophobicContact CB-CE1 4.11Å; A723-Y768 WeakPolarHBondContact CB-OH 3.46Å
724	P	70.2	Confident	75	Confident	101 Å²	101	80.9 Å²	80.9	66%	0.656	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-37.8	-171.2	-24.9	35.6	0	0	0	114.8	K720	K720-P724 WeakPolarHBondContact O-CA 3.31Å
725	D	76.4	Confident	75.2	Confident	71 Å²	71	80.5 Å²	80.5	38%	0.38	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-6.6	-175.9	64.7	-31.8	0	0	0	113.7	A723 Y727 E728 V729 Y768	A723-D725 PolarHBondContact O-N 3.38Å; D725-Y727 PolarHBondContact O-N 3.19Å; D725-Y727 VanDerWaalsContact O-N 3.11Å; D725-E728 WeakPolarHBondContact O-CA 3.4Å; D725-E728 WeakPolarHBondContact O-CB 3.23Å; D725-E728 PolarHBondContact O-N 3.04Å; D725-V729 PolarHBondContact O-N 2.62Å; D725-V729 VanDerWaalsContact O-N 3.11Å; D725-Y768 WeakPolarHBondContact OD1-CE2 3.34Å; D725-Y768 PolarHBondContact OD1-OH 2.96Å
726	Y	75.5	Confident	75.5	Confident	19 Å²	19	77.9 Å²	77.9	8%	0.075	39%	0.385	C	S	.	.	H	α-helix	trans	-52.3	-40.2	-174.2	-176.1	-102.4	0	0	0	114	V718 A723 E728 I730 P733 Y768	V718-Y726 HydrophobicContact CB-CD1 3.84Å; V718-Y726 HydrophobicContact CB-CE1 3.83Å; V718-Y726 HydrophobicContact CB-CG 4.3Å; V718-Y726 HydrophobicContact CG1-CD1 4.04Å; V718-Y726 HydrophobicContact CG1-CD2 4.35Å; V718-Y726 HydrophobicContact CG1-CE1 4.41Å; V718-Y726 HydrophobicContact CG1-CG 4Å; V718-Y726 HydrophobicContact CG2-CD1 4.25Å; V718-Y726 HydrophobicContact CG2-CE1 3.78Å; V718-Y726 HydrophobicContact CG2-CE2 4.24Å; A723-Y726 HydrophobicContact CB-CG 4.48Å; Y726-E728 VanDerWaalsContact C-N 3.32Å; Y726-I730 HydrophobicContact CD2-CG1 4.14Å; Y726-I730 HydrophobicContact CE1-CB 4.42Å; Y726-I730 HydrophobicContact CE2-CB 4.47Å; Y726-I730 HydrophobicContact CE2-CG1 3.74Å; Y726-I730 WeakPolarHBondContact O-CB 3.44Å; Y726-I730 PolarHBondContact O-N 2.7Å; Y726-P733 HydrophobicContact CE1-CB 4.36Å; Y726-Y768 AromaticContact CD2-CD1 3.64Å; Y726-Y768 HydrophobicContact CD2-CD1 3.64Å; Y726-Y768 AromaticContact CD2-CD2 3.75Å; Y726-Y768 HydrophobicContact CD2-CD2 3.75Å; Y726-Y768 AromaticContact CD2-CE1 3.91Å; Y726-Y768 HydrophobicContact CD2-CE1 3.91Å; Y726-Y768 HydrophobicContact CD2-CE2 4.03Å; Y726-Y768 AromaticContact CD2-CG 3.56Å; Y726-Y768 HydrophobicContact CD2-CG 3.56Å; Y726-Y768 HydrophobicContact CE2-CD1 4.05Å; Y726-Y768 HydrophobicContact CE2-CD2 4.44Å; Y726-Y768 AromaticContact CE2-CG 3.91Å; Y726-Y768 HydrophobicContact CE2-CG 3.91Å
727	Y	74.3	Confident	75.7	Confident	87 Å²	87	77.1 Å²	77.1	34%	0.341	38%	0.381	S	S	.	.	H	α-helix	trans	-80.8	-9.6	-179.3	-69.7	-83.6	0	0	0	114.1	V718 K720 D725 P733	V718-Y727 WeakPolarHBondContact O-CE2 3.26Å; V718-Y727 PolarHBondContact O-OH 2.84Å; K720-Y727 HydrophobicContact CD-CD2 4.37Å; K720-Y727 HydrophobicContact CG-CD2 3.73Å; K720-Y727 HydrophobicContact CG-CE2 3.69Å; D725-Y727 PolarHBondContact O-N 3.19Å; D725-Y727 VanDerWaalsContact O-N 3.11Å; Y727-P733 HydrophobicContact CD1-CB 4.49Å; Y727-P733 HydrophobicContact CD1-CG 4.06Å; Y727-P733 HydrophobicContact CE1-CB 4.11Å; Y727-P733 HydrophobicContact CE1-CG 3.89Å
728	E	72.5	Confident	75.9	Confident	169 Å²	169	76.7 Å²	76.7	79%	0.79	38%	0.377	S	S	*	.	H	α-helix	trans	-90.5	-36.1	173.2	-56.2	-171.9	169.9	0	0	110.4	D725 Y726	D725-E728 WeakPolarHBondContact O-CA 3.4Å; D725-E728 WeakPolarHBondContact O-CB 3.23Å; D725-E728 PolarHBondContact O-N 3.04Å; Y726-E728 VanDerWaalsContact C-N 3.32Å
729	V	75.4	Confident	76	Confident	62 Å²	62	74.7 Å²	74.7	38%	0.376	37%	0.365	S	S	.	.	H	α-helix	trans	-76.9	-51.4	175	-176.2	0	0	0	0	111.5	D725 R731 Y768	D725-V729 PolarHBondContact O-N 2.62Å; D725-V729 VanDerWaalsContact O-N 3.11Å; V729-R731 PolarHBondContact O-N 3.14Å; V729-Y768 HydrophobicContact CB-CD2 4.2Å; V729-Y768 HydrophobicContact CG1-CD2 4.31Å; V729-Y768 HydrophobicContact CG2-CD2 4.42Å; V729-Y768 HydrophobicContact CG2-CE2 4.46Å
730	I	79.9	Confident	76.5	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.015	35%	0.353	C	S	.	.			trans	-91.6	101.7	-174	-58.9	-56.7	0	0	0	111.6	Y726 F732 N764 E767	Y726-I730 HydrophobicContact CD2-CG1 4.14Å; Y726-I730 HydrophobicContact CE1-CB 4.42Å; Y726-I730 HydrophobicContact CE2-CB 4.47Å; Y726-I730 HydrophobicContact CE2-CG1 3.74Å; Y726-I730 WeakPolarHBondContact O-CB 3.44Å; Y726-I730 PolarHBondContact O-N 2.7Å; I730-F732 VanDerWaalsContact C-N 3.29Å; I730-F732 PolarHBondContact O-N 3.3Å; I730-N764 HydrophobicContact CD1-CB 4.22Å; I730-N764 HydrophobicContact CG1-CB 4.48Å; I730-N764 HydrophobicContact CG2-CB 3.93Å; I730-N764 VanDerWaalsContact CG2-CG 3.46Å; I730-N764 WeakPolarHBondContact CG2-ND2 3.45Å; I730-E767 HydrophobicContact CD1-CB 4.02Å; I730-E767 HydrophobicContact CD1-CG 4.06Å
731	R	73.5	Confident	77.2	Confident	220 Å²	220	69.2 Å²	69.2	83%	0.83	35%	0.345	S	S	*	.	S	Bend	trans	-61.8	-29.6	-177.7	-60.7	-178.6	-176.5	-176.5	0.7	114.9	V729	V729-R731 PolarHBondContact O-N 3.14Å
732	F	76.5	Confident	77.9	Confident	145 Å²	145	66.4 Å²	66.4	64%	0.636	32%	0.32	S	S	*	.	S	Bend	trans	-135.5	79.3	-176	-61.9	-68.6	0	0	0	110.1	I730 R760 N764	I730-F732 VanDerWaalsContact C-N 3.29Å; I730-F732 PolarHBondContact O-N 3.3Å; F732-R760 VanDerWaalsContact C-NH1 3.33Å; F732-R760 PolarHBondContact O-NH1 3.27Å; F732-N764 PolarHBondContact O-ND2 3.44Å
733	P	80	Confident	78.8	Confident	55 Å²	55	60.8 Å²	60.8	36%	0.357	29%	0.294	S	S	.	.			trans	-62.9	151.2	175.5	27.3	-35.3	0	0	0	111.5	Y726 Y727 R760	Y726-P733 HydrophobicContact CE1-CB 4.36Å; Y727-P733 HydrophobicContact CD1-CB 4.49Å; Y727-P733 HydrophobicContact CD1-CG 4.06Å; Y727-P733 HydrophobicContact CE1-CB 4.11Å; Y727-P733 HydrophobicContact CE1-CG 3.89Å; P733-R760 PolarHBondContact O-NH1 3.26Å
734	I	83.4	Confident	79.4	Confident	12 Å²	12	67 Å²	67	6%	0.062	32%	0.32	C	S	.	.			trans	-164.5	151.7	172.2	-178.1	154.1	0	0	0	110	M739 D757 R760 I761	I734-M739 HydrophobicContact CD1-CG 3.71Å; I734-M739 HydrophobicContact CG1-CG 3.93Å; I734-D757 HydrophobicContact CD1-CB 3.52Å; I734-D757 WeakPolarHBondContact CD1-OD1 3.47Å; I734-D757 WeakPolarHBondContact CD1-OD2 3.44Å; I734-R760 HydrophobicContact CG2-CB 4.04Å; I734-R760 HydrophobicContact CG2-CG 3.87Å; I734-R760 VanDerWaalsContact CG2-CZ 3.48Å; I734-R760 VanDerWaalsContact CG2-NH1 3.32Å; I734-I761 HydrophobicContact CB-CG1 4.41Å; I734-I761 HydrophobicContact CG1-CD1 4.49Å; I734-I761 HydrophobicContact CG1-CG1 4.23Å; I734-I761 HydrophobicContact CG2-CG1 3.72Å
735	D	86.4	Confident	80	Confident	9 Å²	9	68.4 Å²	68.4	5%	0.048	32%	0.322	C	S	.	.			trans	-150.5	169.1	-174.9	62.2	88	0	0	0	109.6	K737 T738 M739	D735-K737 VanDerWaalsContact C-N 3.29Å; D735-K737 PolarHBondContact O-N 3.48Å; D735-K737 VanDerWaalsContact OD1-CA 3.32Å; D735-K737 WeakPolarHBondContact OD1-CA 3.22Å; D735-K737 WeakPolarHBondContact OD1-CB 3.31Å; D735-K737 PolarHBondContact OD1-N 3.47Å; D735-T738 PolarHBondContact O-N 2.98Å; D735-T738 PolarHBondContact OD1-N 3.04Å; D735-T738 PolarHBondContact OD1-OG1 2.93Å; D735-T738 WeakPolarHBondContact OD2-CB 3.46Å; D735-T738 PolarHBondContact OD2-OG1 3.4Å; D735-M739 WeakPolarHBondContact O-CG 3.46Å; D735-M739 PolarHBondContact O-N 3.28Å
736	L	83.7	Confident	80	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-71.1	-18.7	-175.6	-63.1	172.8	0	0	0	113.7	L702 I705 K706 A711 F714 M715 M739 T740 L758 I761	L702-L736 HydrophobicContact CD1-CD2 4.02Å; I705-L736 HydrophobicContact CG2-CD1 4.02Å; I705-L736 HydrophobicContact CG2-CD2 3.81Å; K706-L736 VanDerWaalsContact CE-O 3.3Å; K706-L736 WeakPolarHBondContact CE-O 3.27Å; K706-L736 HydrophobicContact CG-CB 4.44Å; K706-L736 HydrophobicContact CG-CD1 4.29Å; K706-L736 PolarHBondContact NZ-O 3.27Å; A711-L736 HydrophobicContact CB-CD1 4.26Å; F714-L736 HydrophobicContact CB-CD1 4.11Å; F714-L736 HydrophobicContact CB-CG 4.21Å; F714-L736 VanDerWaalsContact O-CB 3.29Å; F714-L736 WeakPolarHBondContact O-CB 3.44Å; F714-L736 VanDerWaalsContact O-CG 3.27Å; F714-L736 WeakPolarHBondContact O-CG 3.29Å; F714-L736 PolarHBondContact O-N 3.3Å; M715-L736 HydrophobicContact SD-CD1 4.02Å; L736-M739 HydrophobicContact CD2-SD 4.47Å; L736-T740 PolarHBondContact O-N 3.44Å; L736-T740 PolarHBondContact O-OG1 2.87Å; L736-L758 HydrophobicContact CD2-CD2 3.92Å; L736-I761 HydrophobicContact CD2-CD1 3.9Å; L736-I761 HydrophobicContact CG-CD1 4.25Å
737	K	82.4	Confident	80.1	Confident	85 Å²	85	75.6 Å²	75.6	37%	0.37	34%	0.344	S	S	.	.	H	α-helix	trans	-77.8	-48.5	173.2	178.7	-177.2	-172.3	173.2	0	110.1	M715 E716 D735 M739 T740 E741	M715-K737 WeakPolarHBondContact O-CB 3.28Å; M715-K737 PolarHBondContact O-N 3.15Å; E716-K737 IonicContact OE1-NZ 3.43Å; E716-K737 PolarHBondContact OE1-NZ 3.34Å; D735-K737 VanDerWaalsContact C-N 3.29Å; D735-K737 PolarHBondContact O-N 3.48Å; D735-K737 VanDerWaalsContact OD1-CA 3.32Å; D735-K737 WeakPolarHBondContact OD1-CA 3.22Å; D735-K737 WeakPolarHBondContact OD1-CB 3.31Å; D735-K737 PolarHBondContact OD1-N 3.47Å; K737-M739 VanDerWaalsContact C-N 3.3Å; K737-M739 PolarHBondContact O-N 3.03Å; K737-T740 WeakPolarHBondContact O-CA 3.49Å; K737-T740 VanDerWaalsContact O-CB 3.26Å; K737-T740 WeakPolarHBondContact O-CB 3.26Å; K737-T740 PolarHBondContact O-N 3.24Å; K737-E741 PolarHBondContact O-N 3.37Å
738	T	83	Confident	80.4	Confident	45 Å²	45	71.9 Å²	71.9	28%	0.276	33%	0.33	S	S	.	.	H	α-helix	trans	-55.9	-42	170.3	-63.7	0	0	0	0	111.9	D735 T740 E741 K742	D735-T738 PolarHBondContact O-N 2.98Å; D735-T738 PolarHBondContact OD1-N 3.04Å; D735-T738 PolarHBondContact OD1-OG1 2.93Å; D735-T738 WeakPolarHBondContact OD2-CB 3.46Å; D735-T738 PolarHBondContact OD2-OG1 3.4Å; T738-T740 VanDerWaalsContact C-N 3.3Å; T738-T740 PolarHBondContact O-N 2.95Å; T738-E741 PolarHBondContact O-N 3.28Å; T738-K742 WeakPolarHBondContact O-CB 3.36Å; T738-K742 WeakPolarHBondContact O-CG 3.49Å; T738-K742 PolarHBondContact O-N 2.88Å
739	M	82.6	Confident	80.4	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-33.7	172.6	-74.3	-162.8	74.2	0	0	113.3	L702 I734 D735 L736 K737 L743 Y748 F754 D757 L758 I761	L702-M739 HydrophobicContact CD1-CB 4.34Å; I734-M739 HydrophobicContact CD1-CG 3.71Å; I734-M739 HydrophobicContact CG1-CG 3.93Å; D735-M739 WeakPolarHBondContact O-CG 3.46Å; D735-M739 PolarHBondContact O-N 3.28Å; L736-M739 HydrophobicContact CD2-SD 4.47Å; K737-M739 VanDerWaalsContact C-N 3.3Å; K737-M739 PolarHBondContact O-N 3.03Å; M739-L743 VanDerWaalsContact O-CB 3.3Å; M739-L743 WeakPolarHBondContact O-CB 3.28Å; M739-L743 PolarHBondContact O-N 3.39Å; M739-Y748 HydrophobicContact CE-CE2 4.45Å; M739-F754 HydrophobicContact CE-CD2 3.55Å; M739-F754 HydrophobicContact CE-CE2 3.54Å; M739-F754 HydrophobicContact CE-CG 4.1Å; M739-F754 HydrophobicContact CE-CZ 4.1Å; M739-D757 HydrophobicContact CE-CB 3.75Å; M739-D757 HydrophobicContact CG-CB 4.38Å; M739-D757 HydrophobicContact SD-CB 4.11Å; M739-L758 HydrophobicContact CE-CD1 4.26Å; M739-L758 HydrophobicContact CE-CD2 4.16Å; M739-L758 HydrophobicContact CE-CG 3.63Å; M739-L758 HydrophobicContact SD-CD2 3.6Å; M739-L758 VanDerWaalsContact SD-CD2 3.6Å; M739-L758 HydrophobicContact SD-CG 3.67Å; M739-I761 HydrophobicContact CG-CD1 4.5Å; M739-I761 HydrophobicContact SD-CD1 3.85Å
740	T	83.7	Confident	80.3	Confident	32 Å²	32	68.5 Å²	68.5	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-68.2	-39.7	176.6	-55.7	0	0	0	0	111.2	K706 L736 K737 T738 L743 K744	K706-T740 VanDerWaalsContact CE-OG1 3.32Å; K706-T740 WeakPolarHBondContact CE-OG1 3.25Å; K706-T740 PolarHBondContact NZ-OG1 3.34Å; L736-T740 PolarHBondContact O-N 3.44Å; L736-T740 PolarHBondContact O-OG1 2.87Å; K737-T740 WeakPolarHBondContact O-CA 3.49Å; K737-T740 VanDerWaalsContact O-CB 3.26Å; K737-T740 WeakPolarHBondContact O-CB 3.26Å; K737-T740 PolarHBondContact O-N 3.24Å; T738-T740 VanDerWaalsContact C-N 3.3Å; T738-T740 PolarHBondContact O-N 2.95Å; T740-L743 PolarHBondContact O-N 3.48Å; T740-K744 WeakPolarHBondContact O-CG 3.49Å; T740-K744 PolarHBondContact O-N 3.26Å
741	E	82.8	Confident	80.1	Confident	101 Å²	101	71.3 Å²	71.3	47%	0.472	33%	0.333	S	S	.	.	H	α-helix	trans	-69.9	-45.4	177.9	-69.2	172	-166.3	0	0	111.5	K737 T738 L743 K744 N745	K737-E741 PolarHBondContact O-N 3.37Å; T738-E741 PolarHBondContact O-N 3.28Å; E741-L743 VanDerWaalsContact C-N 3.27Å; E741-L743 PolarHBondContact O-N 2.93Å; E741-K744 PolarHBondContact O-N 3.17Å; E741-N745 WeakPolarHBondContact O-CB 3.27Å; E741-N745 VanDerWaalsContact O-CG 3.29Å; E741-N745 PolarHBondContact O-N 3.33Å
742	K	82	Confident	80.3	Confident	44 Å²	44	68.5 Å²	68.5	19%	0.191	33%	0.326	C	S	.	.	H	α-helix	trans	-55.4	-41.3	170.2	-76.8	-176.5	173.6	-160.6	0	112.4	T738 N745 R746 Y747 Y748 D757	T738-K742 WeakPolarHBondContact O-CB 3.36Å; T738-K742 WeakPolarHBondContact O-CG 3.49Å; T738-K742 PolarHBondContact O-N 2.88Å; K742-N745 PolarHBondContact O-N 2.98Å; K742-R746 PolarHBondContact O-N 2.65Å; K742-Y747 HydrophobicContact CB-CD1 4.33Å; K742-Y747 HydrophobicContact CB-CG 4.46Å; K742-Y747 HydrophobicContact CD-CD1 4Å; K742-Y747 HydrophobicContact CD-CE1 4.28Å; K742-Y747 HydrophobicContact CG-CD1 4.32Å; K742-Y747 HydrophobicContact CG-CG 4.49Å; K742-Y747 WeakPolarHBondContact O-CB 2.95Å; K742-Y747 PolarHBondContact O-N 3.43Å; K742-Y748 HydrophobicContact CB-CE2 3.65Å; K742-Y748 VanDerWaalsContact CD-OH 3.26Å; K742-Y748 WeakPolarHBondContact CD-OH 3.19Å; K742-D757 VanDerWaalsContact CD-OD2 3.29Å; K742-D757 WeakPolarHBondContact CD-OD2 3.41Å; K742-D757 IonicContact NZ-OD1 3.18Å; K742-D757 PolarHBondContact NZ-OD1 3.41Å; K742-D757 IonicContact NZ-OD2 2.74Å; K742-D757 PolarHBondContact NZ-OD2 3.37Å
743	L	82.6	Confident	80.5	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-50.4	176.8	-178	64.3	0	0	0	111.3	Y695 L698 K699 L702 M739 T740 E741 N745 R746 Y748	Y695-L743 HydrophobicContact CD2-CD1 3.92Å; Y695-L743 HydrophobicContact CD2-CG 4.21Å; Y695-L743 HydrophobicContact CE2-CD1 4.23Å; Y695-L743 HydrophobicContact CE2-CG 3.99Å; Y695-L743 VanDerWaalsContact CE2-O 3.29Å; Y695-L743 WeakPolarHBondContact CE2-O 3.47Å; L698-L743 HydrophobicContact CB-CD1 3.77Å; L698-L743 HydrophobicContact CB-CD2 4.48Å; L698-L743 HydrophobicContact CD1-CD1 4.23Å; K699-L743 HydrophobicContact CB-CD2 4.04Å; L702-L743 HydrophobicContact CD2-CD2 3.97Å; M739-L743 VanDerWaalsContact O-CB 3.3Å; M739-L743 WeakPolarHBondContact O-CB 3.28Å; M739-L743 PolarHBondContact O-N 3.39Å; T740-L743 PolarHBondContact O-N 3.48Å; E741-L743 VanDerWaalsContact C-N 3.27Å; E741-L743 PolarHBondContact O-N 2.93Å; L743-N745 PolarHBondContact O-N 3.23Å; L743-R746 PolarHBondContact O-N 3.39Å; L743-Y748 HydrophobicContact CB-CD2 3.91Å; L743-Y748 HydrophobicContact CB-CE2 4.04Å; L743-Y748 HydrophobicContact CD1-CD2 3.91Å
744	K	81.1	Confident	80.6	Confident	137 Å²	137	62.2 Å²	62.2	60%	0.596	30%	0.296	S	S	*	.	H	α-helix	trans	-53.3	-42.5	175.1	-75.9	177	178.5	-179.1	0	111.9	T740 E741 R746	T740-K744 WeakPolarHBondContact O-CG 3.49Å; T740-K744 PolarHBondContact O-N 3.26Å; E741-K744 PolarHBondContact O-N 3.17Å; K744-R746 PolarHBondContact O-N 3.04Å; K744-R746 VanDerWaalsContact O-N 3.13Å
745	N	81.9	Confident	80.5	Confident	131 Å²	131	62.9 Å²	62.9	70%	0.701	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	13.4	179.4	-63.9	-6.8	0	0	0	113.8	E741 K742 L743 Y747	E741-N745 WeakPolarHBondContact O-CB 3.27Å; E741-N745 VanDerWaalsContact O-CG 3.29Å; E741-N745 PolarHBondContact O-N 3.33Å; K742-N745 PolarHBondContact O-N 2.98Å; L743-N745 PolarHBondContact O-N 3.23Å; N745-Y747 PolarHBondContact O-N 3.08Å; N745-Y747 VanDerWaalsContact O-N 3.08Å
746	R	77.8	Confident	80.3	Confident	116 Å²	116	64.8 Å²	64.8	44%	0.438	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	22.6	178.6	-56.5	-64.4	-170.9	136.6	5.2	114.8	D692 Y695 K742 L743 K744 Y748	D692-R746 IonicContact OD1-CZ 2.72Å; D692-R746 IonicContact OD1-NH1 2.63Å; D692-R746 PolarHBondContact OD1-NH1 3.3Å; D692-R746 IonicContact OD1-NH2 3.48Å; D692-R746 PolarHBondContact OD1-NH2 3.02Å; Y695-R746 VanDerWaalsContact CB-NH1 3.31Å; K742-R746 PolarHBondContact O-N 2.65Å; L743-R746 PolarHBondContact O-N 3.39Å; K744-R746 PolarHBondContact O-N 3.04Å; K744-R746 VanDerWaalsContact O-N 3.13Å; R746-Y748 VanDerWaalsContact C-N 3.26Å; R746-Y748 PolarHBondContact O-N 3.15Å
747	Y	77.7	Confident	80.2	Confident	125 Å²	125	65.4 Å²	65.4	49%	0.49	32%	0.32	S	S	.	.			trans	-62.8	-31.4	-178.9	-176.6	-99	0	0	0	113	K742 N745 V749	K742-Y747 HydrophobicContact CB-CD1 4.33Å; K742-Y747 HydrophobicContact CB-CG 4.46Å; K742-Y747 HydrophobicContact CD-CD1 4Å; K742-Y747 HydrophobicContact CD-CE1 4.28Å; K742-Y747 HydrophobicContact CG-CD1 4.32Å; K742-Y747 HydrophobicContact CG-CG 4.49Å; K742-Y747 WeakPolarHBondContact O-CB 2.95Å; K742-Y747 PolarHBondContact O-N 3.43Å; N745-Y747 PolarHBondContact O-N 3.08Å; N745-Y747 VanDerWaalsContact O-N 3.08Å; Y747-V749 PolarHBondContact O-N 3.14Å
748	Y	79.2	Confident	80.2	Confident	10 Å²	10	61.7 Å²	61.7	4%	0.039	30%	0.304	C	S	.	.			trans	-81.3	65.5	179.2	-58.5	-58.7	0	0	0	112.5	M739 K742 L743 R746 T750 L753 F754 D757	M739-Y748 HydrophobicContact CE-CE2 4.45Å; K742-Y748 HydrophobicContact CB-CE2 3.65Å; K742-Y748 VanDerWaalsContact CD-OH 3.26Å; K742-Y748 WeakPolarHBondContact CD-OH 3.19Å; L743-Y748 HydrophobicContact CB-CD2 3.91Å; L743-Y748 HydrophobicContact CB-CE2 4.04Å; L743-Y748 HydrophobicContact CD1-CD2 3.91Å; R746-Y748 VanDerWaalsContact C-N 3.26Å; R746-Y748 PolarHBondContact O-N 3.15Å; Y748-T750 PolarHBondContact O-N 3.02Å; Y748-L753 HydrophobicContact CD1-CB 3.89Å; Y748-L753 HydrophobicContact CE1-CB 4.5Å; Y748-F754 HydrophobicContact CD1-CB 3.81Å; Y748-F754 HydrophobicContact CD1-CD2 4.37Å; Y748-F754 AromaticContact CD2-CD2 3.8Å; Y748-F754 HydrophobicContact CD2-CD2 3.8Å; Y748-F754 HydrophobicContact CE1-CB 4.23Å; Y748-F754 HydrophobicContact CE1-CD2 4.42Å; Y748-F754 AromaticContact CE2-CD2 3.84Å; Y748-F754 HydrophobicContact CE2-CD2 3.84Å; Y748-F754 HydrophobicContact CG-CB 4.01Å; Y748-F754 HydrophobicContact CG-CD2 4.08Å; Y748-D757 HydrophobicContact CE1-CB 4.23Å; Y748-D757 VanDerWaalsContact CE1-OD2 3.32Å; Y748-D757 WeakPolarHBondContact CE1-OD2 3.29Å; Y748-D757 PolarHBondContact OH-OD2 3.5Å
749	V	72.8	Confident	80.3	Confident	114 Å²	114	63.2 Å²	63.2	69%	0.691	31%	0.308	S	S	*	.	S	Bend	trans	-64	-23.4	175.4	-171.5	0	0	0	0	112	Y747	Y747-V749 PolarHBondContact O-N 3.14Å
750	T	73.1	Confident	80.4	Confident	45 Å²	45	66 Å²	66	28%	0.276	32%	0.319	S	S	.	.	S	Bend	trans	-133.3	148.2	174.4	69.5	0	0	0	0	111.5	Y748 K752 L753	Y748-T750 PolarHBondContact O-N 3.02Å; T750-K752 PolarHBondContact O-N 3.45Å; T750-K752 VanDerWaalsContact O-N 3.15Å; T750-L753 PolarHBondContact O-N 2.72Å
751	K	75.8	Confident	80.4	Confident	62 Å²	62	64.9 Å²	64.9	27%	0.27	31%	0.311	S	S	.	.	H	α-helix	trans	-56.5	-29	176.3	60	176.4	176.8	175.3	0	113.9	L753 F754 I755 L795	K751-L753 PolarHBondContact O-N 2.82Å; K751-F754 PolarHBondContact O-N 3.44Å; K751-I755 WeakPolarHBondContact O-CG1 3.43Å; K751-I755 PolarHBondContact O-N 2.69Å; K751-I755 VanDerWaalsContact O-N 3.13Å; K751-L795 HydrophobicContact CB-CD2 3.85Å; K751-L795 HydrophobicContact CD-CB 4.32Å; K751-L795 HydrophobicContact CD-CD2 4.08Å; K751-L795 PolarHBondContact NZ-O 2.88Å
752	K	77.9	Confident	80.5	Confident	161 Å²	161	60.3 Å²	60.3	70%	0.7	29%	0.29	S	S	*	.	H	α-helix	trans	-65.2	-37.4	-179.4	-65.2	-175	179.8	-178.7	0	112.4	T750 I755 A756	T750-K752 PolarHBondContact O-N 3.45Å; T750-K752 VanDerWaalsContact O-N 3.15Å; K752-I755 PolarHBondContact O-N 3.02Å; K752-A756 WeakPolarHBondContact O-CB 3.43Å; K752-A756 PolarHBondContact O-N 2.73Å
753	L	80.5	Confident	80.5	Confident	68 Å²	68	61.2 Å²	61.2	36%	0.356	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-39.3	178.1	-68.2	167.1	0	0	0	111.9	Y748 T750 K751 D757	Y748-L753 HydrophobicContact CD1-CB 3.89Å; Y748-L753 HydrophobicContact CE1-CB 4.5Å; T750-L753 PolarHBondContact O-N 2.72Å; K751-L753 PolarHBondContact O-N 2.82Å; L753-D757 PolarHBondContact O-N 3.25Å; L753-D757 VanDerWaalsContact O-N 3.14Å
754	F	81.3	Confident	80.6	Confident	1 Å²	1	61.3 Å²	61.3	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-69	-40.2	177.2	-177.5	-92.3	0	0	0	112.1	L698 L701 L702 M739 Y748 K751 D757 L758	L698-F754 HydrophobicContact CD1-CB 4.31Å; L698-F754 HydrophobicContact CD1-CD2 4.42Å; L698-F754 HydrophobicContact CD1-CG 4.41Å; L698-F754 HydrophobicContact CD2-CB 4.12Å; L698-F754 HydrophobicContact CD2-CD1 3.72Å; L698-F754 HydrophobicContact CD2-CD2 4.2Å; L698-F754 HydrophobicContact CD2-CE1 4.11Å; L698-F754 HydrophobicContact CD2-CG 3.75Å; L701-F754 HydrophobicContact CD2-CE1 3.88Å; L701-F754 HydrophobicContact CD2-CZ 4.25Å; L702-F754 HydrophobicContact CB-CE2 4.34Å; L702-F754 HydrophobicContact CB-CZ 4.15Å; L702-F754 HydrophobicContact CD1-CE2 4.4Å; L702-F754 HydrophobicContact CD1-CZ 4.32Å; M739-F754 HydrophobicContact CE-CD2 3.55Å; M739-F754 HydrophobicContact CE-CE2 3.54Å; M739-F754 HydrophobicContact CE-CG 4.1Å; M739-F754 HydrophobicContact CE-CZ 4.1Å; Y748-F754 HydrophobicContact CD1-CB 3.81Å; Y748-F754 HydrophobicContact CD1-CD2 4.37Å; Y748-F754 AromaticContact CD2-CD2 3.8Å; Y748-F754 HydrophobicContact CD2-CD2 3.8Å; Y748-F754 HydrophobicContact CE1-CB 4.23Å; Y748-F754 HydrophobicContact CE1-CD2 4.42Å; Y748-F754 AromaticContact CE2-CD2 3.84Å; Y748-F754 HydrophobicContact CE2-CD2 3.84Å; Y748-F754 HydrophobicContact CG-CB 4.01Å; Y748-F754 HydrophobicContact CG-CD2 4.08Å; K751-F754 PolarHBondContact O-N 3.44Å; F754-D757 PolarHBondContact O-N 2.83Å; F754-L758 HydrophobicContact CD1-CD1 3.83Å; F754-L758 HydrophobicContact CE1-CD1 3.26Å; F754-L758 HydrophobicContact CE1-CG 4.38Å; F754-L758 HydrophobicContact CZ-CD1 3.75Å; F754-L758 PolarHBondContact O-N 3.23Å; F754-L758 VanDerWaalsContact O-N 3.15Å
755	I	82.2	Confident	80.6	Confident	25 Å²	25	55.1 Å²	55.1	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-44.8	175.3	-69.4	171.5	0	0	0	111.1	K751 K752 D757 L758 Q759 F786 L790	K751-I755 WeakPolarHBondContact O-CG1 3.43Å; K751-I755 PolarHBondContact O-N 2.69Å; K751-I755 VanDerWaalsContact O-N 3.13Å; K752-I755 PolarHBondContact O-N 3.02Å; I755-D757 PolarHBondContact O-N 3.25Å; I755-L758 PolarHBondContact O-N 3.28Å; I755-Q759 HydrophobicContact CG2-CG 4.4Å; I755-Q759 WeakPolarHBondContact O-CG 3.3Å; I755-Q759 PolarHBondContact O-N 3.4Å; I755-F786 HydrophobicContact CB-CZ 4.36Å; I755-F786 HydrophobicContact CG1-CZ 4.27Å; I755-F786 HydrophobicContact CG2-CZ 4.09Å; I755-L790 HydrophobicContact CD1-CD1 4.08Å; I755-L790 HydrophobicContact CD1-CD2 4.13Å; I755-L790 HydrophobicContact CG1-CD1 4.01Å; I755-L790 HydrophobicContact CG1-CD2 4.09Å
756	A	82.7	Confident	80.6	Confident	50 Å²	50	53.9 Å²	53.9	41%	0.413	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-40.4	178.6	0	0	0	0	0	112.5	K752 R760	K752-A756 WeakPolarHBondContact O-CB 3.43Å; K752-A756 PolarHBondContact O-N 2.73Å; A756-R760 VanDerWaalsContact O-CB 3.3Å; A756-R760 WeakPolarHBondContact O-CB 3.34Å; A756-R760 PolarHBondContact O-N 3.22Å
757	D	81.8	Confident	80.8	Confident	13 Å²	13	54.5 Å²	54.5	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-39.1	176	-92.2	-2.4	0	0	0	112.3	I734 M739 K742 Y748 L753 F754 I755 R760 I761	I734-D757 HydrophobicContact CD1-CB 3.52Å; I734-D757 WeakPolarHBondContact CD1-OD1 3.47Å; I734-D757 WeakPolarHBondContact CD1-OD2 3.44Å; M739-D757 HydrophobicContact CE-CB 3.75Å; M739-D757 HydrophobicContact CG-CB 4.38Å; M739-D757 HydrophobicContact SD-CB 4.11Å; K742-D757 VanDerWaalsContact CD-OD2 3.29Å; K742-D757 WeakPolarHBondContact CD-OD2 3.41Å; K742-D757 IonicContact NZ-OD1 3.18Å; K742-D757 PolarHBondContact NZ-OD1 3.41Å; K742-D757 IonicContact NZ-OD2 2.74Å; K742-D757 PolarHBondContact NZ-OD2 3.37Å; Y748-D757 HydrophobicContact CE1-CB 4.23Å; Y748-D757 VanDerWaalsContact CE1-OD2 3.32Å; Y748-D757 WeakPolarHBondContact CE1-OD2 3.29Å; Y748-D757 PolarHBondContact OH-OD2 3.5Å; L753-D757 PolarHBondContact O-N 3.25Å; L753-D757 VanDerWaalsContact O-N 3.14Å; F754-D757 PolarHBondContact O-N 2.83Å; I755-D757 PolarHBondContact O-N 3.25Å; D757-R760 PolarHBondContact O-N 3.31Å; D757-R760 IonicContact OD1-CZ 2.65Å; D757-R760 IonicContact OD1-NE 3.7Å; D757-R760 IonicContact OD1-NH2 2.69Å; D757-R760 PolarHBondContact OD1-NH2 3.09Å; D757-I761 PolarHBondContact O-N 3.25Å
758	L	82.4	Confident	80.9	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-42.2	174.9	-80	168	0	0	0	113.2	I705 L736 M739 F754 I755 R760 I761 I762 F786	I705-L758 HydrophobicContact CD1-CD1 3.58Å; I705-L758 HydrophobicContact CD1-CD2 3.97Å; I705-L758 HydrophobicContact CD1-CG 4.48Å; L736-L758 HydrophobicContact CD2-CD2 3.92Å; M739-L758 HydrophobicContact CE-CD1 4.26Å; M739-L758 HydrophobicContact CE-CD2 4.16Å; M739-L758 HydrophobicContact CE-CG 3.63Å; M739-L758 HydrophobicContact SD-CD2 3.6Å; M739-L758 VanDerWaalsContact SD-CD2 3.6Å; M739-L758 HydrophobicContact SD-CG 3.67Å; F754-L758 HydrophobicContact CD1-CD1 3.83Å; F754-L758 HydrophobicContact CE1-CD1 3.26Å; F754-L758 HydrophobicContact CE1-CG 4.38Å; F754-L758 HydrophobicContact CZ-CD1 3.75Å; F754-L758 PolarHBondContact O-N 3.23Å; F754-L758 VanDerWaalsContact O-N 3.15Å; I755-L758 PolarHBondContact O-N 3.28Å; L758-R760 PolarHBondContact O-N 2.97Å; L758-I761 HydrophobicContact CD2-CD1 4.27Å; L758-I761 PolarHBondContact O-N 3.41Å; L758-I762 PolarHBondContact O-N 2.72Å; L758-F786 HydrophobicContact CB-CD2 4.43Å; L758-F786 HydrophobicContact CB-CE1 4.46Å; L758-F786 HydrophobicContact CB-CE2 3.85Å; L758-F786 HydrophobicContact CB-CZ 3.81Å; L758-F786 HydrophobicContact CD1-CD2 3.67Å; L758-F786 HydrophobicContact CD1-CE2 3.26Å; L758-F786 HydrophobicContact CD1-CZ 4.09Å; L758-F786 HydrophobicContact CG-CE2 4.17Å
759	Q	84.3	Confident	80.9	Confident	77 Å²	77	52.5 Å²	52.5	36%	0.36	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-33.9	174.1	-74.3	176.3	-35.7	0	0	111.6	I755 I762 S763 F786 Y787	I755-Q759 HydrophobicContact CG2-CG 4.4Å; I755-Q759 WeakPolarHBondContact O-CG 3.3Å; I755-Q759 PolarHBondContact O-N 3.4Å; Q759-I762 PolarHBondContact O-N 3.16Å; Q759-S763 WeakPolarHBondContact O-CB 3.43Å; Q759-S763 PolarHBondContact O-N 2.6Å; Q759-F786 HydrophobicContact CG-CE1 4.16Å; Q759-Y787 PolarHBondContact NE2-OH 3.43Å
760	R	85.3	Confident	80.9	Confident	58 Å²	58	51.2 Å²	51.2	22%	0.219	26%	0.258	C	S	.	.	H	α-helix	trans	-68.6	-34.9	177.1	-172.5	163	55.4	91.6	-2.1	113.1	F732 P733 I734 A756 D757 L758 I762 S763 N764	F732-R760 VanDerWaalsContact C-NH1 3.33Å; F732-R760 PolarHBondContact O-NH1 3.27Å; P733-R760 PolarHBondContact O-NH1 3.26Å; I734-R760 HydrophobicContact CG2-CB 4.04Å; I734-R760 HydrophobicContact CG2-CG 3.87Å; I734-R760 VanDerWaalsContact CG2-CZ 3.48Å; I734-R760 VanDerWaalsContact CG2-NH1 3.32Å; A756-R760 VanDerWaalsContact O-CB 3.3Å; A756-R760 WeakPolarHBondContact O-CB 3.34Å; A756-R760 PolarHBondContact O-N 3.22Å; D757-R760 PolarHBondContact O-N 3.31Å; D757-R760 IonicContact OD1-CZ 2.65Å; D757-R760 IonicContact OD1-NE 3.7Å; D757-R760 IonicContact OD1-NH2 2.69Å; D757-R760 PolarHBondContact OD1-NH2 3.09Å; L758-R760 PolarHBondContact O-N 2.97Å; R760-I762 VanDerWaalsContact C-N 3.32Å; R760-I762 PolarHBondContact O-N 2.88Å; R760-S763 PolarHBondContact O-N 3.44Å; R760-N764 VanDerWaalsContact O-CB 3.31Å; R760-N764 WeakPolarHBondContact O-CB 3.47Å; R760-N764 PolarHBondContact O-N 3.27Å; R760-N764 PolarHBondContact O-ND2 3.45Å; R760-N764 PolarHBondContact O-OD1 3.34Å
761	I	84	Confident	80.8	Confident	8 Å²	8	54 Å²	54	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-56.1	-48.8	170.2	-65	177.7	0	0	0	110.3	F714 I734 L736 M739 D757 L758 C765	F714-I761 HydrophobicContact CB-CG2 3.9Å; F714-I761 HydrophobicContact CD1-CG2 3.41Å; F714-I761 VanDerWaalsContact CD1-CG2 3.41Å; F714-I761 HydrophobicContact CE1-CG2 4.11Å; F714-I761 HydrophobicContact CG-CG2 3.69Å; I734-I761 HydrophobicContact CB-CG1 4.41Å; I734-I761 HydrophobicContact CG1-CD1 4.49Å; I734-I761 HydrophobicContact CG1-CG1 4.23Å; I734-I761 HydrophobicContact CG2-CG1 3.72Å; L736-I761 HydrophobicContact CD2-CD1 3.9Å; L736-I761 HydrophobicContact CG-CD1 4.25Å; M739-I761 HydrophobicContact CG-CD1 4.5Å; M739-I761 HydrophobicContact SD-CD1 3.85Å; D757-I761 PolarHBondContact O-N 3.25Å; L758-I761 HydrophobicContact CD2-CD1 4.27Å; L758-I761 PolarHBondContact O-N 3.41Å; I761-C765 WeakPolarHBondContact O-CB 3.4Å; I761-C765 PolarHBondContact O-N 2.99Å; I761-C765 VanDerWaalsContact O-N 3.09Å
762	I	83.3	Confident	80.7	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-42.1	-178.4	-63.8	152.3	0	0	0	111.4	L758 Q759 R760 C765 R766 A779 E783	L758-I762 PolarHBondContact O-N 2.72Å; Q759-I762 PolarHBondContact O-N 3.16Å; R760-I762 VanDerWaalsContact C-N 3.32Å; R760-I762 PolarHBondContact O-N 2.88Å; I762-C765 WeakPolarHBondContact O-CB 3.38Å; I762-C765 PolarHBondContact O-N 2.89Å; I762-R766 WeakPolarHBondContact O-CG 3.09Å; I762-R766 PolarHBondContact O-N 3.45Å; I762-R766 VanDerWaalsContact O-N 3.1Å; I762-A779 HydrophobicContact CG2-CB 4.37Å; I762-E783 HydrophobicContact CD1-CB 3.7Å; I762-E783 HydrophobicContact CD1-CG 3.96Å; I762-E783 HydrophobicContact CG1-CB 4.41Å; I762-E783 HydrophobicContact CG2-CB 4.42Å
763	S	83.9	Confident	80.7	Confident	63 Å²	63	50.6 Å²	50.6	44%	0.441	27%	0.271	S	S	.	.	H	α-helix	trans	-62.6	-49.5	177.9	-163.9	0	0	0	0	111.5	Q759 R760 C765 R766 E767	Q759-S763 WeakPolarHBondContact O-CB 3.43Å; Q759-S763 PolarHBondContact O-N 2.6Å; R760-S763 PolarHBondContact O-N 3.44Å; S763-C765 VanDerWaalsContact C-N 3.26Å; S763-C765 PolarHBondContact O-N 3.26Å; S763-R766 PolarHBondContact O-N 3.07Å; S763-R766 VanDerWaalsContact O-N 3.14Å; S763-E767 WeakPolarHBondContact O-CB 3.42Å; S763-E767 PolarHBondContact O-N 2.91Å
764	N	84.1	Confident	80.5	Confident	10 Å²	10	54 Å²	54	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-38.9	177.8	-65.8	-1.8	0	0	0	111.5	I730 F732 R760 E767 Y768	I730-N764 HydrophobicContact CD1-CB 4.22Å; I730-N764 HydrophobicContact CG1-CB 4.48Å; I730-N764 HydrophobicContact CG2-CB 3.93Å; I730-N764 VanDerWaalsContact CG2-CG 3.46Å; I730-N764 WeakPolarHBondContact CG2-ND2 3.45Å; F732-N764 PolarHBondContact O-ND2 3.44Å; R760-N764 VanDerWaalsContact O-CB 3.31Å; R760-N764 WeakPolarHBondContact O-CB 3.47Å; R760-N764 PolarHBondContact O-N 3.27Å; R760-N764 PolarHBondContact O-ND2 3.45Å; R760-N764 PolarHBondContact O-OD1 3.34Å; N764-E767 PolarHBondContact O-N 3.39Å; N764-Y768 PolarHBondContact O-N 3.31Å; N764-Y768 VanDerWaalsContact O-N 3.09Å
765	C	81.5	Confident	80.3	Confident	7 Å²	7	58.9 Å²	58.9	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-43.5	176.4	-172.6	0	0	0	0	112.3	F714 I761 I762 S763 N769 A779	F714-C765 HydrophobicContact CE1-CB 3.86Å; F714-C765 HydrophobicContact CZ-CB 4.32Å; I761-C765 WeakPolarHBondContact O-CB 3.4Å; I761-C765 PolarHBondContact O-N 2.99Å; I761-C765 VanDerWaalsContact O-N 3.09Å; I762-C765 WeakPolarHBondContact O-CB 3.38Å; I762-C765 PolarHBondContact O-N 2.89Å; S763-C765 VanDerWaalsContact C-N 3.26Å; S763-C765 PolarHBondContact O-N 3.26Å; C765-N769 WeakPolarHBondContact O-CB 3.31Å; C765-N769 PolarHBondContact O-N 2.9Å; C765-N769 PolarHBondContact O-ND2 2.9Å; C765-A779 HydrophobicContact CB-CB 4.15Å
766	R	81.1	Confident	80.1	Confident	105 Å²	105	57.9 Å²	57.9	40%	0.396	30%	0.299	S	S	.	.	H	α-helix	trans	-72.9	-26.4	178.6	-71.6	174.4	174.5	151.2	-1.1	113.6	I762 S763 N780 E783	I762-R766 WeakPolarHBondContact O-CG 3.09Å; I762-R766 PolarHBondContact O-N 3.45Å; I762-R766 VanDerWaalsContact O-N 3.1Å; S763-R766 PolarHBondContact O-N 3.07Å; S763-R766 VanDerWaalsContact O-N 3.14Å; R766-N780 PolarHBondContact NE-OD1 2.93Å; R766-N780 PolarHBondContact NH2-OD1 3.41Å; R766-E783 IonicContact CZ-OE1 3.57Å; R766-E783 IonicContact CZ-OE2 2.91Å; R766-E783 IonicContact NH1-OE1 2.74Å; R766-E783 PolarHBondContact NH1-OE1 3.18Å; R766-E783 IonicContact NH1-OE2 2.61Å; R766-E783 VanDerWaalsContact NH2-CD 3.33Å; R766-E783 IonicContact NH2-OE1 2.7Å; R766-E783 PolarHBondContact NH2-OE1 3.08Å; R766-E783 IonicContact NH2-OE2 2.64Å; R766-E783 PolarHBondContact NH2-OE2 3.27Å
767	E	82.3	Confident	80	Confident	128 Å²	128	60.9 Å²	60.9	60%	0.598	30%	0.303	S	S	*	.	H	α-helix	trans	-80.9	-35.4	-179.9	-173.7	168.5	-170.2	0	0	111.9	I730 S763 N764	I730-E767 HydrophobicContact CD1-CB 4.02Å; I730-E767 HydrophobicContact CD1-CG 4.06Å; S763-E767 WeakPolarHBondContact O-CB 3.42Å; S763-E767 PolarHBondContact O-N 2.91Å; N764-E767 PolarHBondContact O-N 3.39Å
768	Y	78.8	Confident	80	Confident	63 Å²	63	60.8 Å²	60.8	25%	0.247	30%	0.303	C	S	.	.	H	α-helix	trans	-89	-36.8	178.5	-173.6	-102.4	0	0	0	114.2	A723 D725 Y726 V729 N764	A723-Y768 HydrophobicContact CB-CE1 4.11Å; A723-Y768 WeakPolarHBondContact CB-OH 3.46Å; D725-Y768 WeakPolarHBondContact OD1-CE2 3.34Å; D725-Y768 PolarHBondContact OD1-OH 2.96Å; Y726-Y768 AromaticContact CD2-CD1 3.64Å; Y726-Y768 HydrophobicContact CD2-CD1 3.64Å; Y726-Y768 AromaticContact CD2-CD2 3.75Å; Y726-Y768 HydrophobicContact CD2-CD2 3.75Å; Y726-Y768 AromaticContact CD2-CE1 3.91Å; Y726-Y768 HydrophobicContact CD2-CE1 3.91Å; Y726-Y768 HydrophobicContact CD2-CE2 4.03Å; Y726-Y768 AromaticContact CD2-CG 3.56Å; Y726-Y768 HydrophobicContact CD2-CG 3.56Å; Y726-Y768 HydrophobicContact CE2-CD1 4.05Å; Y726-Y768 HydrophobicContact CE2-CD2 4.44Å; Y726-Y768 AromaticContact CE2-CG 3.91Å; Y726-Y768 HydrophobicContact CE2-CG 3.91Å; V729-Y768 HydrophobicContact CB-CD2 4.2Å; V729-Y768 HydrophobicContact CG1-CD2 4.31Å; V729-Y768 HydrophobicContact CG2-CD2 4.42Å; V729-Y768 HydrophobicContact CG2-CE2 4.46Å; N764-Y768 PolarHBondContact O-N 3.31Å; N764-Y768 VanDerWaalsContact O-N 3.09Å
769	N	79.1	Confident	79.9	Confident	31 Å²	31	60.4 Å²	60.4	17%	0.166	30%	0.301	C	S	.	.	S	Bend	trans	-101.3	144	-174.1	-58.4	-88.2	0	0	0	112.3	C765 S773 C776	C765-N769 WeakPolarHBondContact O-CB 3.31Å; C765-N769 PolarHBondContact O-N 2.9Å; C765-N769 PolarHBondContact O-ND2 2.9Å; N769-S773 WeakPolarHBondContact CB-OG 3.44Å; N769-C776 PolarHBondContact O-SG 2.86Å
770	P	74.4	Confident	79.9	Confident	86 Å²	86	59.4 Å²	59.4	56%	0.558	30%	0.299	S	S	*	.			trans	-61.4	151.5	174.6	25.4	-33.1	0	0	0	111.6	D772 S773 C776	P770-D772 VanDerWaalsContact C-N 3.25Å; P770-D772 PolarHBondContact O-N 3.5Å; P770-S773 VanDerWaalsContact O-CB 3.25Å; P770-S773 WeakPolarHBondContact O-CB 3.42Å; P770-S773 PolarHBondContact O-N 2.99Å; P770-S773 PolarHBondContact O-OG 3.11Å; P770-C776 PolarHBondContact O-SG 3.29Å; P770-C776 VanDerWaalsContact O-SG 3.41Å
771	P	70.7	Confident	79.8	Confident	103 Å²	103	59.6 Å²	59.6	67%	0.669	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.7	-170.6	23.4	-34.2	0	0	0	114.1	S773 C776	P771-S773 VanDerWaalsContact C-N 3.34Å; P771-C776 WeakPolarHBondContact O-CB 3.4Å
772	D	73.2	Confident	79.6	Confident	132 Å²	132	59.7 Å²	59.7	71%	0.706	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.1	179.1	-66.5	-54.3	0	0	0	114.5	P770 K777	P770-D772 VanDerWaalsContact C-N 3.25Å; P770-D772 PolarHBondContact O-N 3.5Å; D772-K777 VanDerWaalsContact O-CE 3.31Å; D772-K777 WeakPolarHBondContact O-CE 3.29Å; D772-K777 PolarHBondContact O-NZ 3.35Å
773	S	78.6	Confident	79.6	Confident	21 Å²	21	61.4 Å²	61.4	15%	0.147	32%	0.315	C	S	.	.	S	Bend	trans	-61.3	150.2	179.3	64.6	0	0	0	0	112.6	N769 P770 P771 Y775 C776 K777	N769-S773 WeakPolarHBondContact CB-OG 3.44Å; P770-S773 VanDerWaalsContact O-CB 3.25Å; P770-S773 WeakPolarHBondContact O-CB 3.42Å; P770-S773 PolarHBondContact O-N 2.99Å; P770-S773 PolarHBondContact O-OG 3.11Å; P771-S773 VanDerWaalsContact C-N 3.34Å; S773-Y775 PolarHBondContact O-N 3.33Å; S773-C776 PolarHBondContact O-N 3.26Å; S773-C776 WeakPolarHBondContact OG-CB 3.45Å; S773-C776 PolarHBondContact OG-N 3.18Å; S773-C776 VanDerWaalsContact OG-N 3.11Å; S773-C776 PolarHBondContact OG-SG 2.85Å; S773-K777 WeakPolarHBondContact O-CG 3.5Å; S773-K777 PolarHBondContact O-N 2.68Å
774	E	74.8	Confident	79.5	Confident	140 Å²	140	65.8 Å²	65.8	65%	0.654	33%	0.326	S	S	*	.	H	α-helix	trans	-61.6	-32.2	173.5	-60.1	-168.5	147.4	0	0	111.5	K777 C778	E774-K777 PolarHBondContact O-N 3.45Å; E774-C778 WeakPolarHBondContact O-CB 3.2Å; E774-C778 PolarHBondContact O-N 2.74Å; E774-C778 PolarHBondContact O-SG 3.1Å
775	Y	77.1	Confident	79.4	Confident	103 Å²	103	67.9 Å²	67.9	40%	0.404	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-48.1	172.5	-57.6	-62.2	0	0	0	112.7	W712 P713 S773 K777 C778 A779	W712-Y775 HydrophobicContact CH2-CD1 4.49Å; W712-Y775 AromaticContact CH2-CE1 3.62Å; W712-Y775 HydrophobicContact CH2-CE1 3.62Å; W712-Y775 HydrophobicContact CZ2-CE1 4.28Å; W712-Y775 HydrophobicContact CZ3-CE1 4.14Å; P713-Y775 HydrophobicContact CB-CD1 3.75Å; P713-Y775 HydrophobicContact CB-CE1 4.09Å; P713-Y775 HydrophobicContact CG-CD1 3.93Å; P713-Y775 HydrophobicContact CG-CE1 4.33Å; S773-Y775 PolarHBondContact O-N 3.33Å; Y775-K777 PolarHBondContact O-N 2.99Å; Y775-C778 PolarHBondContact O-N 3.11Å; Y775-A779 WeakPolarHBondContact O-CB 3.39Å; Y775-A779 PolarHBondContact O-N 3.14Å
776	C	79	Confident	79.2	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.02	33%	0.333	C	S	.	.	H	α-helix	trans	-65.1	-36.9	175	-79.3	0	0	0	0	112.5	N769 P770 P771 S773 A779 N780	N769-C776 PolarHBondContact O-SG 2.86Å; P770-C776 PolarHBondContact O-SG 3.29Å; P770-C776 VanDerWaalsContact O-SG 3.41Å; P771-C776 WeakPolarHBondContact O-CB 3.4Å; S773-C776 PolarHBondContact O-N 3.26Å; S773-C776 WeakPolarHBondContact OG-CB 3.45Å; S773-C776 PolarHBondContact OG-N 3.18Å; S773-C776 VanDerWaalsContact OG-N 3.11Å; S773-C776 PolarHBondContact OG-SG 2.85Å; C776-A779 PolarHBondContact O-N 3.37Å; C776-N780 WeakPolarHBondContact O-CB 3.31Å; C776-N780 PolarHBondContact O-N 3.09Å; C776-N780 PolarHBondContact O-ND2 2.92Å; C776-N780 VanDerWaalsContact O-ND2 3.12Å; C776-N780 PolarHBondContact O-OD1 3.46Å
777	K	80	Confident	79.1	Confident	113 Å²	113	67.6 Å²	67.6	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-47.2	173.4	-70.2	164.1	179.3	152.9	0	111.3	D772 S773 E774 Y775 N780 T781	D772-K777 VanDerWaalsContact O-CE 3.31Å; D772-K777 WeakPolarHBondContact O-CE 3.29Å; D772-K777 PolarHBondContact O-NZ 3.35Å; S773-K777 WeakPolarHBondContact O-CG 3.5Å; S773-K777 PolarHBondContact O-N 2.68Å; E774-K777 PolarHBondContact O-N 3.45Å; Y775-K777 PolarHBondContact O-N 2.99Å; K777-N780 PolarHBondContact O-N 3.32Å; K777-T781 PolarHBondContact O-N 3.12Å; K777-T781 VanDerWaalsContact O-N 3.07Å; K777-T781 PolarHBondContact O-OG1 3.21Å
778	C	81.7	Confident	78.9	Confident	12 Å²	12	67.7 Å²	67.7	8%	0.081	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-45.9	175	-68.3	0	0	0	0	111.9	D710 P713 F714 E774 Y775 N780 T781 L782	D710-C778 HydrophobicContact CB-CB 3.94Å; P713-C778 HydrophobicContact CG-CB 4.31Å; F714-C778 HydrophobicContact CE2-CB 4.35Å; E774-C778 WeakPolarHBondContact O-CB 3.2Å; E774-C778 PolarHBondContact O-N 2.74Å; E774-C778 PolarHBondContact O-SG 3.1Å; Y775-C778 PolarHBondContact O-N 3.11Å; C778-N780 VanDerWaalsContact C-N 3.33Å; C778-N780 PolarHBondContact O-N 3.21Å; C778-T781 PolarHBondContact O-N 3.49Å; C778-L782 WeakPolarHBondContact O-CB 3.47Å; C778-L782 PolarHBondContact O-N 3.33Å
779	A	81.8	Confident	78.7	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-41.8	176.3	0	0	0	0	0	112.4	F714 I762 C765 Y775 C776 L782 E783	F714-A779 HydrophobicContact CE2-CB 4.48Å; F714-A779 HydrophobicContact CZ-CB 3.88Å; I762-A779 HydrophobicContact CG2-CB 4.37Å; C765-A779 HydrophobicContact CB-CB 4.15Å; Y775-A779 WeakPolarHBondContact O-CB 3.39Å; Y775-A779 PolarHBondContact O-N 3.14Å; C776-A779 PolarHBondContact O-N 3.37Å; A779-L782 PolarHBondContact O-N 2.7Å; A779-E783 WeakPolarHBondContact O-CB 3.34Å; A779-E783 PolarHBondContact O-N 3.25Å
780	N	82.6	Confident	78.3	Confident	56 Å²	56	65.5 Å²	65.5	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-67	-37.6	178.4	-68.3	-23.7	0	0	0	112.7	R766 C776 K777 C778 K784	R766-N780 PolarHBondContact NE-OD1 2.93Å; R766-N780 PolarHBondContact NH2-OD1 3.41Å; C776-N780 WeakPolarHBondContact O-CB 3.31Å; C776-N780 PolarHBondContact O-N 3.09Å; C776-N780 PolarHBondContact O-ND2 2.92Å; C776-N780 VanDerWaalsContact O-ND2 3.12Å; C776-N780 PolarHBondContact O-OD1 3.46Å; K777-N780 PolarHBondContact O-N 3.32Å; C778-N780 VanDerWaalsContact C-N 3.33Å; C778-N780 PolarHBondContact O-N 3.21Å; N780-K784 WeakPolarHBondContact O-CG 3.46Å; N780-K784 PolarHBondContact O-N 2.91Å
781	T	83	Confident	78.2	Confident	62 Å²	62	68 Å²	68	38%	0.38	32%	0.324	S	S	.	.	H	α-helix	trans	-70.4	-43.4	174.7	-53.5	0	0	0	0	111	D710 K777 C778 E783 K784 F785	D710-T781 WeakPolarHBondContact OD2-CB 3.36Å; D710-T781 VanDerWaalsContact OD2-CG2 3.23Å; D710-T781 WeakPolarHBondContact OD2-CG2 3.39Å; K777-T781 PolarHBondContact O-N 3.12Å; K777-T781 VanDerWaalsContact O-N 3.07Å; K777-T781 PolarHBondContact O-OG1 3.21Å; C778-T781 PolarHBondContact O-N 3.49Å; T781-E783 VanDerWaalsContact C-N 3.35Å; T781-E783 PolarHBondContact O-N 3.48Å; T781-K784 PolarHBondContact O-N 2.73Å; T781-F785 PolarHBondContact O-N 3.05Å
782	L	81.2	Confident	78.2	Confident	9 Å²	9	68.7 Å²	68.7	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-64.1	-37.7	178.7	-164.1	66.3	0	0	0	112.2	I705 H708 A711 F714 C778 A779 F785 F786	I705-L782 HydrophobicContact CG2-CD1 4.28Å; H708-L782 HydrophobicContact CB-CD1 3.96Å; A711-L782 HydrophobicContact CB-CD1 4.09Å; A711-L782 HydrophobicContact CB-CD2 4.4Å; F714-L782 HydrophobicContact CD2-CD2 3.63Å; F714-L782 HydrophobicContact CE2-CD2 4.05Å; C778-L782 WeakPolarHBondContact O-CB 3.47Å; C778-L782 PolarHBondContact O-N 3.33Å; A779-L782 PolarHBondContact O-N 2.7Å; L782-F785 PolarHBondContact O-N 3.47Å; L782-F786 VanDerWaalsContact O-CB 3.22Å; L782-F786 WeakPolarHBondContact O-CB 3.44Å; L782-F786 PolarHBondContact O-N 3.11Å
783	E	82.9	Confident	77.5	Confident	43 Å²	43	64.3 Å²	64.3	20%	0.201	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-46.4	173.3	-174	179.3	-117.1	0	0	111.7	I762 R766 A779 T781 F786 Y787	I762-E783 HydrophobicContact CD1-CB 3.7Å; I762-E783 HydrophobicContact CD1-CG 3.96Å; I762-E783 HydrophobicContact CG1-CB 4.41Å; I762-E783 HydrophobicContact CG2-CB 4.42Å; R766-E783 IonicContact CZ-OE1 3.57Å; R766-E783 IonicContact CZ-OE2 2.91Å; R766-E783 IonicContact NH1-OE1 2.74Å; R766-E783 PolarHBondContact NH1-OE1 3.18Å; R766-E783 IonicContact NH1-OE2 2.61Å; R766-E783 VanDerWaalsContact NH2-CD 3.33Å; R766-E783 IonicContact NH2-OE1 2.7Å; R766-E783 PolarHBondContact NH2-OE1 3.08Å; R766-E783 IonicContact NH2-OE2 2.64Å; R766-E783 PolarHBondContact NH2-OE2 3.27Å; A779-E783 WeakPolarHBondContact O-CB 3.34Å; A779-E783 PolarHBondContact O-N 3.25Å; T781-E783 VanDerWaalsContact C-N 3.35Å; T781-E783 PolarHBondContact O-N 3.48Å; E783-F786 WeakPolarHBondContact O-CB 3.36Å; E783-F786 PolarHBondContact O-N 3.4Å; E783-Y787 HydrophobicContact CG-CD2 3.8Å; E783-Y787 HydrophobicContact CG-CE2 3.66Å; E783-Y787 VanDerWaalsContact O-CD2 3.28Å; E783-Y787 WeakPolarHBondContact O-CD2 3.48Å; E783-Y787 PolarHBondContact O-N 3.09Å
784	K	82.1	Confident	76.4	Confident	155 Å²	155	66 Å²	66	67%	0.674	33%	0.329	S	S	*	.	H	α-helix	trans	-63	-44.3	177.5	-70.5	172.1	-176.7	174.6	0	111.7	N780 T781 Y787 F788	N780-K784 WeakPolarHBondContact O-CG 3.46Å; N780-K784 PolarHBondContact O-N 2.91Å; T781-K784 PolarHBondContact O-N 2.73Å; K784-Y787 PolarHBondContact O-N 3.04Å; K784-F788 WeakPolarHBondContact O-CB 3.31Å; K784-F788 PolarHBondContact O-N 3.46Å
785	F	80.8	Confident	75.6	Confident	53 Å²	53	59.9 Å²	59.9	23%	0.232	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-42.7	176.3	-177.5	-103.6	0	0	0	111.8	H708 T781 L782 F788 K789	H708-F785 HydrophobicContact CB-CE1 4.49Å; H708-F785 AromaticContact CD2-CD1 3.69Å; H708-F785 AromaticContact CD2-CD2 3.72Å; H708-F785 AromaticContact CD2-CE1 3.98Å; H708-F785 AromaticContact CD2-CG 3.55Å; H708-F785 AromaticContact NE2-CG 3.91Å; T781-F785 PolarHBondContact O-N 3.05Å; L782-F785 PolarHBondContact O-N 3.47Å; F785-F788 PolarHBondContact O-N 2.88Å; F785-K789 HydrophobicContact CD1-CG 4.36Å; F785-K789 HydrophobicContact CE1-CG 4.03Å; F785-K789 HydrophobicContact CE2-CG 4.28Å; F785-K789 HydrophobicContact CZ-CD 4.44Å; F785-K789 HydrophobicContact CZ-CG 3.99Å; F785-K789 WeakPolarHBondContact O-CB 3.28Å; F785-K789 WeakPolarHBondContact O-CG 3.46Å; F785-K789 PolarHBondContact O-N 3.49Å
786	F	78	Confident	74.4	Confident	5 Å²	5	58.6 Å²	58.6	2%	0.022	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-50.9	175.2	163.4	-113.7	0	0	0	112.7	I705 I755 L758 Q759 L782 E783 F788 K789 L790	I705-F786 HydrophobicContact CD1-CD2 4.24Å; I755-F786 HydrophobicContact CB-CZ 4.36Å; I755-F786 HydrophobicContact CG1-CZ 4.27Å; I755-F786 HydrophobicContact CG2-CZ 4.09Å; L758-F786 HydrophobicContact CB-CD2 4.43Å; L758-F786 HydrophobicContact CB-CE1 4.46Å; L758-F786 HydrophobicContact CB-CE2 3.85Å; L758-F786 HydrophobicContact CB-CZ 3.81Å; L758-F786 HydrophobicContact CD1-CD2 3.67Å; L758-F786 HydrophobicContact CD1-CE2 3.26Å; L758-F786 HydrophobicContact CD1-CZ 4.09Å; L758-F786 HydrophobicContact CG-CE2 4.17Å; Q759-F786 HydrophobicContact CG-CE1 4.16Å; L782-F786 VanDerWaalsContact O-CB 3.22Å; L782-F786 WeakPolarHBondContact O-CB 3.44Å; L782-F786 PolarHBondContact O-N 3.11Å; E783-F786 WeakPolarHBondContact O-CB 3.36Å; E783-F786 PolarHBondContact O-N 3.4Å; F786-F788 VanDerWaalsContact C-N 3.32Å; F786-F788 PolarHBondContact O-N 2.93Å; F786-K789 PolarHBondContact O-N 2.72Å; F786-L790 HydrophobicContact CD1-CD1 4.23Å; F786-L790 HydrophobicContact CD2-CD1 3.89Å; F786-L790 HydrophobicContact CD2-CG 4Å; F786-L790 HydrophobicContact CE1-CD1 3.76Å; F786-L790 HydrophobicContact CE2-CD1 3.36Å; F786-L790 HydrophobicContact CE2-CD2 4.15Å; F786-L790 HydrophobicContact CE2-CG 3.76Å; F786-L790 HydrophobicContact CG-CD1 4.32Å; F786-L790 HydrophobicContact CZ-CD1 3.33Å; F786-L790 HydrophobicContact CZ-CG 4.25Å; F786-L790 WeakPolarHBondContact O-CB 3.25Å; F786-L790 WeakPolarHBondContact O-CG 3.32Å; F786-L790 PolarHBondContact O-N 3.41Å
787	Y	78.4	Confident	73	Confident	101 Å²	101	64.8 Å²	64.8	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-38	177.1	-84	-69.9	0	0	0	112.6	Q759 E783 K784 K791 I796	Q759-Y787 PolarHBondContact NE2-OH 3.43Å; E783-Y787 HydrophobicContact CG-CD2 3.8Å; E783-Y787 HydrophobicContact CG-CE2 3.66Å; E783-Y787 VanDerWaalsContact O-CD2 3.28Å; E783-Y787 WeakPolarHBondContact O-CD2 3.48Å; E783-Y787 PolarHBondContact O-N 3.09Å; K784-Y787 PolarHBondContact O-N 3.04Å; Y787-K791 WeakPolarHBondContact O-CB 3.48Å; Y787-K791 PolarHBondContact O-N 2.79Å; Y787-K791 VanDerWaalsContact O-N 3.13Å; Y787-I796 HydrophobicContact CD1-CD1 4.24Å; Y787-I796 HydrophobicContact CE1-CD1 4.39Å
788	F	80	Confident	70.9	Confident	130 Å²	130	71.8 Å²	71.8	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-60.9	-49.3	173.9	-178.7	-96.1	0	0	0	111.5	K784 F785 F786 L790 K791 D792	K784-F788 WeakPolarHBondContact O-CB 3.31Å; K784-F788 PolarHBondContact O-N 3.46Å; F785-F788 PolarHBondContact O-N 2.88Å; F786-F788 VanDerWaalsContact C-N 3.32Å; F786-F788 PolarHBondContact O-N 2.93Å; F788-L790 PolarHBondContact O-N 3.17Å; F788-K791 WeakPolarHBondContact O-CB 3.45Å; F788-K791 PolarHBondContact O-N 3.41Å; F788-D792 WeakPolarHBondContact O-CB 3.45Å; F788-D792 PolarHBondContact O-N 3.43Å
789	K	74.4	Confident	70.4	Confident	48 Å²	48	74.8 Å²	74.8	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-67.7	-33.5	179.9	-73	-70.1	-178.7	171.6	0	114	Q704 F785 F786 K791 G793	Q704-K789 VanDerWaalsContact OE1-CE 3.27Å; F785-K789 HydrophobicContact CD1-CG 4.36Å; F785-K789 HydrophobicContact CE1-CG 4.03Å; F785-K789 HydrophobicContact CE2-CG 4.28Å; F785-K789 HydrophobicContact CZ-CD 4.44Å; F785-K789 HydrophobicContact CZ-CG 3.99Å; F785-K789 WeakPolarHBondContact O-CB 3.28Å; F785-K789 WeakPolarHBondContact O-CG 3.46Å; F785-K789 PolarHBondContact O-N 3.49Å; F786-K789 PolarHBondContact O-N 2.72Å; K789-K791 VanDerWaalsContact C-N 3.33Å; K789-G793 PolarHBondContact O-N 3.05Å
790	L	70.6	Confident	69.8	Low	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-66.4	-34.7	172.1	-77.2	178.3	0	0	0	113	L701 I755 F786 F788 G794 L795 I796	L701-L790 HydrophobicContact CD1-CD2 3.99Å; I755-L790 HydrophobicContact CD1-CD1 4.08Å; I755-L790 HydrophobicContact CD1-CD2 4.13Å; I755-L790 HydrophobicContact CG1-CD1 4.01Å; I755-L790 HydrophobicContact CG1-CD2 4.09Å; F786-L790 HydrophobicContact CD1-CD1 4.23Å; F786-L790 HydrophobicContact CD2-CD1 3.89Å; F786-L790 HydrophobicContact CD2-CG 4Å; F786-L790 HydrophobicContact CE1-CD1 3.76Å; F786-L790 HydrophobicContact CE2-CD1 3.36Å; F786-L790 HydrophobicContact CE2-CD2 4.15Å; F786-L790 HydrophobicContact CE2-CG 3.76Å; F786-L790 HydrophobicContact CG-CD1 4.32Å; F786-L790 HydrophobicContact CZ-CD1 3.33Å; F786-L790 HydrophobicContact CZ-CG 4.25Å; F786-L790 WeakPolarHBondContact O-CB 3.25Å; F786-L790 WeakPolarHBondContact O-CG 3.32Å; F786-L790 PolarHBondContact O-N 3.41Å; F788-L790 PolarHBondContact O-N 3.17Å; L790-G794 PolarHBondContact O-N 2.58Å; L790-L795 HydrophobicContact CD2-CB 3.93Å; L790-L795 HydrophobicContact CD2-CD1 4.23Å; L790-L795 HydrophobicContact CD2-CD2 4.45Å; L790-L795 HydrophobicContact CD2-CG 4.43Å; L790-L795 PolarHBondContact O-N 3.06Å; L790-I796 HydrophobicContact CB-CD1 4.01Å; L790-I796 HydrophobicContact CB-CG1 4.32Å; L790-I796 HydrophobicContact CD1-CD1 3.78Å
791	K	71.3	Confident	69	Low	140 Å²	140	80 Å²	80	61%	0.609	40%	0.398	S	S	*	.	H	α-helix	trans	-73.2	-42.7	177.4	-169.8	176	-175.5	175.3	0	111.3	Y787 F788 K789 G794	Y787-K791 WeakPolarHBondContact O-CB 3.48Å; Y787-K791 PolarHBondContact O-N 2.79Å; Y787-K791 VanDerWaalsContact O-N 3.13Å; F788-K791 WeakPolarHBondContact O-CB 3.45Å; F788-K791 PolarHBondContact O-N 3.41Å; K789-K791 VanDerWaalsContact C-N 3.33Å; K791-G794 PolarHBondContact O-N 3.11Å
792	D	70.2	Confident	68.2	Low	116 Å²	116	81.1 Å²	81.1	62%	0.62	40%	0.399	S	S	*	.	H	α-helix	trans	-63.5	-44.5	175.5	-168.3	45.5	0	0	0	111.8	F788 G794	F788-D792 WeakPolarHBondContact O-CB 3.45Å; F788-D792 PolarHBondContact O-N 3.43Å; D792-G794 PolarHBondContact O-N 2.89Å; D792-G794 VanDerWaalsContact O-N 3.16Å
793	G	59.2	Low	67.4	Low	40 Å²	40	85.6 Å²	85.6	41%	0.412	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	4.9	174.9	0	0	0	0	0	115.7	K789 L795	K789-G793 PolarHBondContact O-N 3.05Å; G793-L795 VanDerWaalsContact C-N 3.26Å; G793-L795 WeakPolarHBondContact O-CD1 3.5Å; G793-L795 PolarHBondContact O-N 3.06Å
794	G	56.4	Low	66.4	Low	57 Å²	57	88.4 Å²	88.4	59%	0.588	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	19.2	178.4	0	0	0	0	0	115.5	L790 K791 D792	L790-G794 PolarHBondContact O-N 2.58Å; K791-G794 PolarHBondContact O-N 3.11Å; D792-G794 PolarHBondContact O-N 2.89Å; D792-G794 VanDerWaalsContact O-N 3.16Å
795	L	56.3	Low	65.3	Low	12 Å²	12	83.6 Å²	83.6	6%	0.063	42%	0.419	C	S	.	.			trans	-81.7	-19.8	-177.7	-70.8	108.4	0	0	0	113.3	M697 L701 K751 L790 G793	M697-L795 HydrophobicContact SD-CD1 4.05Å; M697-L795 HydrophobicContact SD-CD2 4.23Å; M697-L795 HydrophobicContact SD-CG 4.23Å; L701-L795 HydrophobicContact CD1-CD1 4.12Å; K751-L795 HydrophobicContact CB-CD2 3.85Å; K751-L795 HydrophobicContact CD-CB 4.32Å; K751-L795 HydrophobicContact CD-CD2 4.08Å; K751-L795 PolarHBondContact NZ-O 2.88Å; L790-L795 HydrophobicContact CD2-CB 3.93Å; L790-L795 HydrophobicContact CD2-CD1 4.23Å; L790-L795 HydrophobicContact CD2-CD2 4.45Å; L790-L795 HydrophobicContact CD2-CG 4.43Å; L790-L795 PolarHBondContact O-N 3.06Å; G793-L795 VanDerWaalsContact C-N 3.26Å; G793-L795 WeakPolarHBondContact O-CD1 3.5Å; G793-L795 PolarHBondContact O-N 3.06Å
796	I	52.8	Low	64.1	Low	75 Å²	75	86 Å²	86	39%	0.385	43%	0.433	S	S	.	.	S	Bend	trans	-119.4	134.5	174.6	-63.7	178.1	0	0	0	108.8	Y787 L790	Y787-I796 HydrophobicContact CD1-CD1 4.24Å; Y787-I796 HydrophobicContact CE1-CD1 4.39Å; L790-I796 HydrophobicContact CB-CD1 4.01Å; L790-I796 HydrophobicContact CB-CG1 4.32Å; L790-I796 HydrophobicContact CD1-CD1 3.78Å
797	E	49.2	Very low	62.9	Low	133 Å²	133	92.8 Å²	92.8	62%	0.621	47%	0.467	S	S	*	.			trans	-79.3	155.3	175.9	-61.2	-164.3	124.1	0	0	111.7	K686	K686-E797 VanDerWaalsContact CD-OE1 3.29Å; K686-E797 WeakPolarHBondContact CD-OE1 3.38Å; K686-E797 WeakPolarHBondContact CE-OE1 3.42Å; K686-E797 IonicContact NZ-OE1 2.71Å; K686-E797 PolarHBondContact NZ-OE1 3.4Å
798	K	36.2	Very low	61.5	Low	261 Å²	261	92 Å²	92	100%	1.135	47%	0.474	S	S	*	.			trans	-69.5	0	-176.3	-86.1	-171.5	175.7	-178.1	0	113.5

Retrieved 798 of 798 residues in 1192 ms (Link to these results)

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